USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1400 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: B 72 LYS NZ :NH3+ -114:sc= -3.58! (180deg=-4.43!) USER MOD Set 1.2: B 73 GLN : amide:sc= -6.06! C(o=-9.6!,f=-5.2!) USER MOD Set 2.1: A 72 LYS NZ :NH3+ -98:sc= -4.18! (180deg=-4.38!) USER MOD Set 2.2: A 73 GLN : amide:sc= -5.55! C(o=-9.7!,f=-5!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.167 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.181 (180deg=-0.974) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-5.6!) USER MOD Single : A 15 MET CE :methyl -145:sc= -4.28! (180deg=-7.88!) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0815 (180deg=-0.626) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.574) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0.959 (180deg=0.884) USER MOD Single : A 43 TYR OH : rot 165:sc=-0.000395 USER MOD Single : A 48 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 77:sc= 0.846 USER MOD Single : A 67 CYS SG : rot -50:sc= 0.992 USER MOD Single : A 70 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.6) USER MOD Single : A 74 SER OG : rot 130:sc= -0.642 USER MOD Single : A 77 CYS SG : rot -20:sc= 0.196 USER MOD Single : A 80 CYS SG : rot 110:sc= -0.374 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.0813 USER MOD Single : B 1 MET CE :methyl -130:sc= -0.206 (180deg=-1.09) USER MOD Single : B 1 MET N :NH3+ -155:sc= -0.122 (180deg=-0.951) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -1.31! C(o=-1.3!,f=-5.8!) USER MOD Single : B 15 MET CE :methyl -149:sc= -4.42! (180deg=-7.8!) USER MOD Single : B 18 LYS NZ :NH3+ 156:sc= -0.0936 (180deg=-0.622) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -163:sc= -0.0948 (180deg=-0.564) USER MOD Single : B 41 LYS NZ :NH3+ 172:sc= 0.986 (180deg=0.78) USER MOD Single : B 43 TYR OH : rot 165:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 81:sc= 0.778 USER MOD Single : B 67 CYS SG : rot -50:sc= 0.924 USER MOD Single : B 70 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.6) USER MOD Single : B 74 SER OG : rot 130:sc= -0.659 USER MOD Single : B 77 CYS SG : rot -21:sc= 0.213 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.376 USER MOD Single : B 85 CYS SG : rot 180:sc= -0.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.668 -9.550 11.552 1.00 0.00 N ATOM 2 CA MET A 1 114.347 -9.768 12.861 1.00 0.00 C ATOM 3 C MET A 1 115.845 -9.988 12.633 1.00 0.00 C ATOM 4 O MET A 1 116.654 -9.115 12.879 1.00 0.00 O ATOM 5 CB MET A 1 113.748 -10.997 13.550 1.00 0.00 C ATOM 6 CG MET A 1 112.257 -10.763 13.805 1.00 0.00 C ATOM 7 SD MET A 1 112.054 -9.504 15.094 1.00 0.00 S ATOM 8 CE MET A 1 112.665 -10.472 16.501 1.00 0.00 C ATOM 0 H1 MET A 1 112.805 -8.988 11.698 1.00 0.00 H new ATOM 0 H2 MET A 1 114.308 -9.041 10.909 1.00 0.00 H new ATOM 0 H3 MET A 1 113.416 -10.469 11.134 1.00 0.00 H new ATOM 0 HA MET A 1 114.203 -8.892 13.493 1.00 0.00 H new ATOM 0 HB2 MET A 1 113.887 -11.880 12.927 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.264 -11.187 14.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 111.766 -10.441 12.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 111.779 -11.693 14.112 1.00 0.00 H new ATOM 0 HE1 MET A 1 112.193 -10.119 17.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.424 -11.524 16.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 113.746 -10.355 16.581 1.00 0.00 H new ATOM 20 N THR A 2 116.222 -11.148 12.168 1.00 0.00 N ATOM 21 CA THR A 2 117.669 -11.423 11.931 1.00 0.00 C ATOM 22 C THR A 2 118.106 -10.800 10.601 1.00 0.00 C ATOM 23 O THR A 2 117.295 -10.504 9.746 1.00 0.00 O ATOM 24 CB THR A 2 117.900 -12.935 11.881 1.00 0.00 C ATOM 25 OG1 THR A 2 117.287 -13.469 10.714 1.00 0.00 O ATOM 26 CG2 THR A 2 117.291 -13.589 13.123 1.00 0.00 C ATOM 0 H THR A 2 115.591 -11.917 11.942 1.00 0.00 H new ATOM 0 HA THR A 2 118.253 -10.989 12.742 1.00 0.00 H new ATOM 0 HB THR A 2 118.971 -13.137 11.855 1.00 0.00 H new ATOM 0 HG1 THR A 2 117.436 -14.437 10.680 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.457 -14.666 13.085 1.00 0.00 H new ATOM 0 HG22 THR A 2 117.762 -13.180 14.017 1.00 0.00 H new ATOM 0 HG23 THR A 2 116.220 -13.387 13.152 1.00 0.00 H new ATOM 34 N THR A 3 119.385 -10.604 10.423 1.00 0.00 N ATOM 35 CA THR A 3 119.882 -10.005 9.151 1.00 0.00 C ATOM 36 C THR A 3 119.862 -11.062 8.044 1.00 0.00 C ATOM 37 O THR A 3 119.792 -12.246 8.305 1.00 0.00 O ATOM 38 CB THR A 3 121.317 -9.509 9.346 1.00 0.00 C ATOM 39 OG1 THR A 3 122.142 -10.598 9.736 1.00 0.00 O ATOM 40 CG2 THR A 3 121.347 -8.429 10.429 1.00 0.00 C ATOM 0 H THR A 3 120.108 -10.833 11.105 1.00 0.00 H new ATOM 0 HA THR A 3 119.240 -9.170 8.871 1.00 0.00 H new ATOM 0 HB THR A 3 121.686 -9.088 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 3 123.062 -10.284 9.860 1.00 0.00 H new ATOM 0 HG21 THR A 3 122.370 -8.078 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 3 120.714 -7.594 10.128 1.00 0.00 H new ATOM 0 HG23 THR A 3 120.978 -8.844 11.367 1.00 0.00 H new ATOM 48 N SER A 4 119.929 -10.640 6.811 1.00 0.00 N ATOM 49 CA SER A 4 119.918 -11.616 5.687 1.00 0.00 C ATOM 50 C SER A 4 121.174 -12.482 5.771 1.00 0.00 C ATOM 51 O SER A 4 122.203 -12.067 6.267 1.00 0.00 O ATOM 52 CB SER A 4 119.912 -10.862 4.358 1.00 0.00 C ATOM 53 OG SER A 4 119.839 -11.796 3.287 1.00 0.00 O ATOM 0 H SER A 4 119.991 -9.660 6.534 1.00 0.00 H new ATOM 0 HA SER A 4 119.029 -12.243 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 4 119.064 -10.179 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 4 120.814 -10.256 4.266 1.00 0.00 H new ATOM 0 HG SER A 4 119.833 -11.315 2.433 1.00 0.00 H new ATOM 59 N GLN A 5 121.085 -13.696 5.300 1.00 0.00 N ATOM 60 CA GLN A 5 122.252 -14.616 5.357 1.00 0.00 C ATOM 61 C GLN A 5 123.442 -14.021 4.603 1.00 0.00 C ATOM 62 O GLN A 5 124.572 -14.413 4.810 1.00 0.00 O ATOM 63 CB GLN A 5 121.869 -15.966 4.743 1.00 0.00 C ATOM 64 CG GLN A 5 121.422 -15.769 3.294 1.00 0.00 C ATOM 65 CD GLN A 5 121.043 -17.124 2.693 1.00 0.00 C ATOM 66 OE1 GLN A 5 119.996 -17.665 2.993 1.00 0.00 O ATOM 67 NE2 GLN A 5 121.857 -17.700 1.853 1.00 0.00 N ATOM 0 H GLN A 5 120.246 -14.091 4.875 1.00 0.00 H new ATOM 0 HA GLN A 5 122.539 -14.757 6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 5 122.719 -16.647 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 5 121.067 -16.424 5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 5 120.571 -15.089 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 5 122.223 -15.312 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 5 122.735 -17.246 1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 5 121.616 -18.604 1.448 1.00 0.00 H new ATOM 76 N LYS A 6 123.206 -13.074 3.730 1.00 0.00 N ATOM 77 CA LYS A 6 124.333 -12.461 2.974 1.00 0.00 C ATOM 78 C LYS A 6 125.247 -11.715 3.944 1.00 0.00 C ATOM 79 O LYS A 6 126.451 -11.694 3.783 1.00 0.00 O ATOM 80 CB LYS A 6 123.788 -11.468 1.947 1.00 0.00 C ATOM 81 CG LYS A 6 123.069 -12.227 0.832 1.00 0.00 C ATOM 82 CD LYS A 6 122.528 -11.227 -0.191 1.00 0.00 C ATOM 83 CE LYS A 6 121.808 -11.979 -1.311 1.00 0.00 C ATOM 84 NZ LYS A 6 121.318 -11.005 -2.326 1.00 0.00 N ATOM 0 H LYS A 6 122.282 -12.701 3.511 1.00 0.00 H new ATOM 0 HA LYS A 6 124.890 -13.247 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 6 123.101 -10.772 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 6 124.603 -10.876 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 6 123.755 -12.924 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 6 122.253 -12.819 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 6 121.843 -10.531 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 6 123.345 -10.635 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 6 122.485 -12.696 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 6 120.972 -12.548 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 120.828 -11.515 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 120.659 -10.338 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 122.124 -10.481 -2.722 1.00 0.00 H new ATOM 98 N HIS A 7 124.686 -11.081 4.936 1.00 0.00 N ATOM 99 CA HIS A 7 125.529 -10.313 5.894 1.00 0.00 C ATOM 100 C HIS A 7 126.542 -11.234 6.569 1.00 0.00 C ATOM 101 O HIS A 7 127.722 -10.950 6.611 1.00 0.00 O ATOM 102 CB HIS A 7 124.626 -9.688 6.965 1.00 0.00 C ATOM 103 CG HIS A 7 125.470 -9.036 8.029 1.00 0.00 C ATOM 104 ND1 HIS A 7 125.968 -7.748 7.898 1.00 0.00 N ATOM 105 CD2 HIS A 7 125.913 -9.489 9.248 1.00 0.00 C ATOM 106 CE1 HIS A 7 126.676 -7.473 9.010 1.00 0.00 C ATOM 107 NE2 HIS A 7 126.671 -8.500 9.861 1.00 0.00 N ATOM 0 H HIS A 7 123.684 -11.061 5.124 1.00 0.00 H new ATOM 0 HA HIS A 7 126.066 -9.535 5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 7 123.964 -8.951 6.510 1.00 0.00 H new ATOM 0 HB3 HIS A 7 123.991 -10.454 7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 7 125.704 -10.463 9.665 1.00 0.00 H new ATOM 0 HE1 HIS A 7 127.185 -6.537 9.190 1.00 0.00 H new ATOM 0 HE2 HIS A 7 127.128 -8.549 10.771 1.00 0.00 H new ATOM 115 N ARG A 8 126.093 -12.339 7.100 1.00 0.00 N ATOM 116 CA ARG A 8 127.028 -13.274 7.775 1.00 0.00 C ATOM 117 C ARG A 8 127.927 -13.943 6.739 1.00 0.00 C ATOM 118 O ARG A 8 129.063 -14.280 7.010 1.00 0.00 O ATOM 119 CB ARG A 8 126.223 -14.337 8.527 1.00 0.00 C ATOM 120 CG ARG A 8 125.504 -13.682 9.710 1.00 0.00 C ATOM 121 CD ARG A 8 124.901 -14.762 10.611 1.00 0.00 C ATOM 122 NE ARG A 8 124.036 -15.687 9.804 1.00 0.00 N ATOM 123 CZ ARG A 8 122.994 -15.259 9.141 1.00 0.00 C ATOM 124 NH1 ARG A 8 122.587 -14.026 9.265 1.00 0.00 N ATOM 125 NH2 ARG A 8 122.327 -16.087 8.384 1.00 0.00 N ATOM 0 H ARG A 8 125.116 -12.632 7.094 1.00 0.00 H new ATOM 0 HA ARG A 8 127.650 -12.722 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 8 125.499 -14.802 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 8 126.884 -15.128 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 8 126.203 -13.069 10.279 1.00 0.00 H new ATOM 0 HG3 ARG A 8 124.720 -13.017 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 8 125.697 -15.327 11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 8 124.311 -14.299 11.402 1.00 0.00 H new ATOM 0 HE ARG A 8 124.269 -16.680 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 8 123.083 -13.385 9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 8 121.773 -13.703 8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 8 122.620 -17.061 8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 8 121.513 -15.760 7.864 1.00 0.00 H new ATOM 139 N ASP A 9 127.427 -14.139 5.553 1.00 0.00 N ATOM 140 CA ASP A 9 128.248 -14.786 4.497 1.00 0.00 C ATOM 141 C ASP A 9 129.305 -13.809 3.978 1.00 0.00 C ATOM 142 O ASP A 9 130.423 -14.184 3.702 1.00 0.00 O ATOM 143 CB ASP A 9 127.350 -15.231 3.345 1.00 0.00 C ATOM 144 CG ASP A 9 126.479 -16.403 3.803 1.00 0.00 C ATOM 145 OD1 ASP A 9 126.841 -17.037 4.781 1.00 0.00 O ATOM 146 OD2 ASP A 9 125.463 -16.643 3.171 1.00 0.00 O ATOM 0 H ASP A 9 126.483 -13.878 5.269 1.00 0.00 H new ATOM 0 HA ASP A 9 128.748 -15.656 4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 9 126.722 -14.402 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 9 127.957 -15.527 2.490 1.00 0.00 H new ATOM 151 N PHE A 10 128.956 -12.558 3.823 1.00 0.00 N ATOM 152 CA PHE A 10 129.948 -11.575 3.296 1.00 0.00 C ATOM 153 C PHE A 10 131.084 -11.388 4.303 1.00 0.00 C ATOM 154 O PHE A 10 132.238 -11.294 3.933 1.00 0.00 O ATOM 155 CB PHE A 10 129.256 -10.232 3.036 1.00 0.00 C ATOM 156 CG PHE A 10 130.222 -9.285 2.361 1.00 0.00 C ATOM 157 CD1 PHE A 10 130.318 -9.264 0.962 1.00 0.00 C ATOM 158 CD2 PHE A 10 131.014 -8.422 3.129 1.00 0.00 C ATOM 159 CE1 PHE A 10 131.208 -8.384 0.334 1.00 0.00 C ATOM 160 CE2 PHE A 10 131.905 -7.542 2.500 1.00 0.00 C ATOM 161 CZ PHE A 10 132.002 -7.523 1.101 1.00 0.00 C ATOM 0 H PHE A 10 128.034 -12.177 4.037 1.00 0.00 H new ATOM 0 HA PHE A 10 130.363 -11.952 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 10 128.378 -10.380 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 10 128.908 -9.803 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 10 129.705 -9.927 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 10 130.938 -8.435 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 10 131.282 -8.369 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 10 132.517 -6.878 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 10 132.688 -6.845 0.616 1.00 0.00 H new ATOM 171 N VAL A 11 130.778 -11.341 5.572 1.00 0.00 N ATOM 172 CA VAL A 11 131.857 -11.167 6.589 1.00 0.00 C ATOM 173 C VAL A 11 132.473 -12.530 6.915 1.00 0.00 C ATOM 174 O VAL A 11 133.106 -12.702 7.936 1.00 0.00 O ATOM 175 CB VAL A 11 131.269 -10.556 7.865 1.00 0.00 C ATOM 176 CG1 VAL A 11 130.583 -9.227 7.529 1.00 0.00 C ATOM 177 CG2 VAL A 11 130.250 -11.527 8.472 1.00 0.00 C ATOM 0 H VAL A 11 129.833 -11.415 5.948 1.00 0.00 H new ATOM 0 HA VAL A 11 132.625 -10.504 6.191 1.00 0.00 H new ATOM 0 HB VAL A 11 132.068 -10.375 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 11 130.165 -8.793 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 11 131.312 -8.539 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 11 129.783 -9.402 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 129.831 -11.094 9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 11 129.450 -11.710 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 11 130.744 -12.468 8.714 1.00 0.00 H new ATOM 187 N ALA A 12 132.276 -13.505 6.054 1.00 0.00 N ATOM 188 CA ALA A 12 132.833 -14.877 6.304 1.00 0.00 C ATOM 189 C ALA A 12 133.792 -15.279 5.178 1.00 0.00 C ATOM 190 O ALA A 12 134.451 -16.297 5.256 1.00 0.00 O ATOM 191 CB ALA A 12 131.682 -15.885 6.353 1.00 0.00 C ATOM 0 H ALA A 12 131.751 -13.408 5.185 1.00 0.00 H new ATOM 0 HA ALA A 12 133.374 -14.869 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 12 132.080 -16.883 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 12 130.997 -15.616 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 12 131.148 -15.874 5.403 1.00 0.00 H new ATOM 197 N GLU A 13 133.886 -14.499 4.132 1.00 0.00 N ATOM 198 CA GLU A 13 134.818 -14.865 3.018 1.00 0.00 C ATOM 199 C GLU A 13 135.304 -13.593 2.303 1.00 0.00 C ATOM 200 O GLU A 13 134.611 -12.594 2.288 1.00 0.00 O ATOM 201 CB GLU A 13 134.081 -15.761 2.019 1.00 0.00 C ATOM 202 CG GLU A 13 132.722 -15.148 1.683 1.00 0.00 C ATOM 203 CD GLU A 13 132.155 -15.809 0.425 1.00 0.00 C ATOM 204 OE1 GLU A 13 132.052 -17.024 0.414 1.00 0.00 O ATOM 205 OE2 GLU A 13 131.835 -15.087 -0.504 1.00 0.00 O ATOM 0 H GLU A 13 133.364 -13.633 3.999 1.00 0.00 H new ATOM 0 HA GLU A 13 135.678 -15.396 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.674 -15.875 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 13 133.947 -16.758 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 13 132.035 -15.284 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 13 132.825 -14.074 1.526 1.00 0.00 H new ATOM 212 N PRO A 14 136.473 -13.621 1.693 1.00 0.00 N ATOM 213 CA PRO A 14 137.005 -12.437 0.954 1.00 0.00 C ATOM 214 C PRO A 14 135.933 -11.794 0.065 1.00 0.00 C ATOM 215 O PRO A 14 134.958 -12.423 -0.296 1.00 0.00 O ATOM 216 CB PRO A 14 138.137 -13.023 0.094 1.00 0.00 C ATOM 217 CG PRO A 14 138.615 -14.229 0.842 1.00 0.00 C ATOM 218 CD PRO A 14 137.413 -14.762 1.639 1.00 0.00 C ATOM 0 HA PRO A 14 137.339 -11.648 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 14 137.778 -13.293 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 14 138.941 -12.300 -0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 14 138.990 -14.987 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 14 139.437 -13.970 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 14 136.963 -15.625 1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 14 137.709 -15.081 2.638 1.00 0.00 H new ATOM 226 N MET A 15 136.104 -10.549 -0.302 1.00 0.00 N ATOM 227 CA MET A 15 135.090 -9.885 -1.175 1.00 0.00 C ATOM 228 C MET A 15 135.449 -10.140 -2.642 1.00 0.00 C ATOM 229 O MET A 15 134.618 -10.043 -3.523 1.00 0.00 O ATOM 230 CB MET A 15 135.080 -8.377 -0.904 1.00 0.00 C ATOM 231 CG MET A 15 136.517 -7.851 -0.857 1.00 0.00 C ATOM 232 SD MET A 15 136.505 -6.047 -1.024 1.00 0.00 S ATOM 233 CE MET A 15 136.279 -5.645 0.727 1.00 0.00 C ATOM 0 H MET A 15 136.898 -9.966 -0.036 1.00 0.00 H new ATOM 0 HA MET A 15 134.102 -10.292 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 15 134.519 -7.861 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 15 134.576 -8.171 0.040 1.00 0.00 H new ATOM 0 HG2 MET A 15 136.990 -8.137 0.083 1.00 0.00 H new ATOM 0 HG3 MET A 15 137.105 -8.297 -1.659 1.00 0.00 H new ATOM 0 HE1 MET A 15 135.657 -4.754 0.819 1.00 0.00 H new ATOM 0 HE2 MET A 15 135.794 -6.480 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 15 137.250 -5.458 1.186 1.00 0.00 H new ATOM 243 N GLY A 16 136.683 -10.476 -2.904 1.00 0.00 N ATOM 244 CA GLY A 16 137.107 -10.753 -4.306 1.00 0.00 C ATOM 245 C GLY A 16 136.647 -9.621 -5.227 1.00 0.00 C ATOM 246 O GLY A 16 136.716 -8.458 -4.882 1.00 0.00 O ATOM 0 H GLY A 16 137.419 -10.571 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 16 138.191 -10.853 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 16 136.685 -11.700 -4.642 1.00 0.00 H new ATOM 250 N GLU A 17 136.203 -9.960 -6.411 1.00 0.00 N ATOM 251 CA GLU A 17 135.760 -8.922 -7.394 1.00 0.00 C ATOM 252 C GLU A 17 134.233 -8.894 -7.479 1.00 0.00 C ATOM 253 O GLU A 17 133.670 -8.572 -8.507 1.00 0.00 O ATOM 254 CB GLU A 17 136.337 -9.270 -8.767 1.00 0.00 C ATOM 255 CG GLU A 17 137.857 -9.090 -8.739 1.00 0.00 C ATOM 256 CD GLU A 17 138.444 -9.468 -10.100 1.00 0.00 C ATOM 257 OE1 GLU A 17 138.742 -10.636 -10.290 1.00 0.00 O ATOM 258 OE2 GLU A 17 138.588 -8.584 -10.928 1.00 0.00 O ATOM 0 H GLU A 17 136.127 -10.922 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 17 136.113 -7.942 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 17 136.086 -10.298 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 17 135.898 -8.629 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 138.106 -8.057 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 17 138.293 -9.713 -7.958 1.00 0.00 H new ATOM 265 N LYS A 18 133.551 -9.230 -6.417 1.00 0.00 N ATOM 266 CA LYS A 18 132.062 -9.219 -6.459 1.00 0.00 C ATOM 267 C LYS A 18 131.587 -7.787 -6.765 1.00 0.00 C ATOM 268 O LYS A 18 132.246 -6.829 -6.414 1.00 0.00 O ATOM 269 CB LYS A 18 131.516 -9.664 -5.096 1.00 0.00 C ATOM 270 CG LYS A 18 131.739 -11.177 -4.901 1.00 0.00 C ATOM 271 CD LYS A 18 130.581 -11.969 -5.522 1.00 0.00 C ATOM 272 CE LYS A 18 130.765 -13.458 -5.223 1.00 0.00 C ATOM 273 NZ LYS A 18 130.659 -13.684 -3.754 1.00 0.00 N ATOM 0 H LYS A 18 133.960 -9.511 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 18 131.702 -9.899 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 18 132.012 -9.110 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 18 130.453 -9.434 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 18 132.681 -11.475 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 18 131.817 -11.406 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 129.630 -11.621 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 18 130.550 -11.804 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 130.009 -14.042 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 18 131.736 -13.796 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 130.394 -14.673 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 131.575 -13.483 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 129.933 -13.054 -3.357 1.00 0.00 H new ATOM 287 N PRO A 19 130.462 -7.640 -7.427 1.00 0.00 N ATOM 288 CA PRO A 19 129.917 -6.295 -7.799 1.00 0.00 C ATOM 289 C PRO A 19 129.469 -5.476 -6.578 1.00 0.00 C ATOM 290 O PRO A 19 129.216 -6.005 -5.515 1.00 0.00 O ATOM 291 CB PRO A 19 128.727 -6.624 -8.717 1.00 0.00 C ATOM 292 CG PRO A 19 128.305 -8.002 -8.321 1.00 0.00 C ATOM 293 CD PRO A 19 129.583 -8.727 -7.898 1.00 0.00 C ATOM 0 HA PRO A 19 130.672 -5.672 -8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 19 127.915 -5.909 -8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 19 129.016 -6.586 -9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 127.585 -7.970 -7.503 1.00 0.00 H new ATOM 0 HG3 PRO A 19 127.821 -8.516 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 19 129.389 -9.455 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 19 130.029 -9.271 -8.731 1.00 0.00 H new ATOM 301 N VAL A 20 129.391 -4.181 -6.736 1.00 0.00 N ATOM 302 CA VAL A 20 128.986 -3.294 -5.606 1.00 0.00 C ATOM 303 C VAL A 20 127.628 -3.719 -5.030 1.00 0.00 C ATOM 304 O VAL A 20 127.428 -3.730 -3.833 1.00 0.00 O ATOM 305 CB VAL A 20 128.907 -1.843 -6.102 1.00 0.00 C ATOM 306 CG1 VAL A 20 127.984 -1.753 -7.322 1.00 0.00 C ATOM 307 CG2 VAL A 20 128.360 -0.946 -4.985 1.00 0.00 C ATOM 0 H VAL A 20 129.593 -3.695 -7.610 1.00 0.00 H new ATOM 0 HA VAL A 20 129.732 -3.377 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 20 129.906 -1.511 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 20 127.935 -0.720 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 20 128.375 -2.383 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 20 126.985 -2.092 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 20 128.305 0.083 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 20 127.364 -1.286 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 20 129.022 -0.997 -4.120 1.00 0.00 H new ATOM 317 N GLY A 21 126.685 -4.043 -5.879 1.00 0.00 N ATOM 318 CA GLY A 21 125.331 -4.438 -5.388 1.00 0.00 C ATOM 319 C GLY A 21 125.421 -5.692 -4.514 1.00 0.00 C ATOM 320 O GLY A 21 124.431 -6.147 -3.976 1.00 0.00 O ATOM 0 H GLY A 21 126.796 -4.051 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 21 124.892 -3.620 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 21 124.671 -4.625 -6.235 1.00 0.00 H new ATOM 324 N SER A 22 126.587 -6.259 -4.360 1.00 0.00 N ATOM 325 CA SER A 22 126.712 -7.479 -3.512 1.00 0.00 C ATOM 326 C SER A 22 126.822 -7.066 -2.043 1.00 0.00 C ATOM 327 O SER A 22 126.515 -7.830 -1.149 1.00 0.00 O ATOM 328 CB SER A 22 127.967 -8.254 -3.914 1.00 0.00 C ATOM 329 OG SER A 22 128.061 -9.436 -3.130 1.00 0.00 O ATOM 0 H SER A 22 127.455 -5.932 -4.783 1.00 0.00 H new ATOM 0 HA SER A 22 125.834 -8.110 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 22 127.927 -8.509 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 22 128.853 -7.636 -3.768 1.00 0.00 H new ATOM 0 HG SER A 22 128.864 -9.936 -3.387 1.00 0.00 H new ATOM 335 N LEU A 23 127.262 -5.864 -1.788 1.00 0.00 N ATOM 336 CA LEU A 23 127.398 -5.404 -0.377 1.00 0.00 C ATOM 337 C LEU A 23 126.017 -5.369 0.281 1.00 0.00 C ATOM 338 O LEU A 23 125.037 -4.960 -0.310 1.00 0.00 O ATOM 339 CB LEU A 23 128.016 -4.002 -0.359 1.00 0.00 C ATOM 340 CG LEU A 23 129.471 -4.061 -0.850 1.00 0.00 C ATOM 341 CD1 LEU A 23 129.978 -2.636 -1.086 1.00 0.00 C ATOM 342 CD2 LEU A 23 130.367 -4.757 0.197 1.00 0.00 C ATOM 0 H LEU A 23 127.533 -5.181 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 23 128.042 -6.090 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 127.436 -3.332 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 23 127.981 -3.593 0.651 1.00 0.00 H new ATOM 0 HG LEU A 23 129.510 -4.631 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 131.010 -2.670 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 129.357 -2.149 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 23 129.928 -2.073 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.394 -4.790 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.332 -4.200 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 23 130.009 -5.773 0.365 1.00 0.00 H new ATOM 354 N ALA A 24 125.944 -5.801 1.506 1.00 0.00 N ATOM 355 CA ALA A 24 124.636 -5.802 2.218 1.00 0.00 C ATOM 356 C ALA A 24 124.146 -4.364 2.415 1.00 0.00 C ATOM 357 O ALA A 24 124.895 -3.479 2.782 1.00 0.00 O ATOM 358 CB ALA A 24 124.794 -6.483 3.579 1.00 0.00 C ATOM 0 H ALA A 24 126.733 -6.154 2.047 1.00 0.00 H new ATOM 0 HA ALA A 24 123.905 -6.348 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 24 123.836 -6.483 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 24 125.129 -7.510 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 24 125.530 -5.941 4.174 1.00 0.00 H new ATOM 364 N GLY A 25 122.884 -4.137 2.164 1.00 0.00 N ATOM 365 CA GLY A 25 122.305 -2.762 2.318 1.00 0.00 C ATOM 366 C GLY A 25 122.153 -2.117 0.938 1.00 0.00 C ATOM 367 O GLY A 25 121.395 -1.184 0.761 1.00 0.00 O ATOM 0 H GLY A 25 122.221 -4.848 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 25 121.336 -2.817 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 25 122.952 -2.151 2.948 1.00 0.00 H new ATOM 371 N ILE A 26 122.859 -2.613 -0.045 1.00 0.00 N ATOM 372 CA ILE A 26 122.753 -2.043 -1.425 1.00 0.00 C ATOM 373 C ILE A 26 121.821 -2.936 -2.245 1.00 0.00 C ATOM 374 O ILE A 26 122.078 -4.111 -2.415 1.00 0.00 O ATOM 375 CB ILE A 26 124.138 -2.024 -2.078 1.00 0.00 C ATOM 376 CG1 ILE A 26 125.131 -1.258 -1.188 1.00 0.00 C ATOM 377 CG2 ILE A 26 124.056 -1.352 -3.452 1.00 0.00 C ATOM 378 CD1 ILE A 26 124.598 0.144 -0.863 1.00 0.00 C ATOM 0 H ILE A 26 123.509 -3.393 0.048 1.00 0.00 H new ATOM 0 HA ILE A 26 122.362 -1.026 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 26 124.485 -3.050 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 26 125.301 -1.811 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 26 126.094 -1.179 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 26 125.044 -1.342 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 26 123.366 -1.907 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 26 123.699 -0.329 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 26 125.316 0.669 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 26 124.452 0.701 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 123.647 0.059 -0.337 1.00 0.00 H new ATOM 390 N GLY A 27 120.741 -2.405 -2.764 1.00 0.00 N ATOM 391 CA GLY A 27 119.810 -3.243 -3.580 1.00 0.00 C ATOM 392 C GLY A 27 120.175 -3.114 -5.063 1.00 0.00 C ATOM 393 O GLY A 27 121.055 -2.361 -5.431 1.00 0.00 O ATOM 0 H GLY A 27 120.465 -1.429 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 27 119.874 -4.285 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 27 118.780 -2.924 -3.419 1.00 0.00 H new ATOM 397 N GLU A 28 119.519 -3.856 -5.914 1.00 0.00 N ATOM 398 CA GLU A 28 119.846 -3.780 -7.368 1.00 0.00 C ATOM 399 C GLU A 28 119.659 -2.348 -7.878 1.00 0.00 C ATOM 400 O GLU A 28 120.443 -1.860 -8.668 1.00 0.00 O ATOM 401 CB GLU A 28 118.928 -4.722 -8.152 1.00 0.00 C ATOM 402 CG GLU A 28 119.300 -6.176 -7.852 1.00 0.00 C ATOM 403 CD GLU A 28 118.353 -7.114 -8.605 1.00 0.00 C ATOM 404 OE1 GLU A 28 117.404 -6.619 -9.191 1.00 0.00 O ATOM 405 OE2 GLU A 28 118.590 -8.311 -8.579 1.00 0.00 O ATOM 0 H GLU A 28 118.775 -4.508 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 28 120.885 -4.077 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 28 117.888 -4.540 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 28 119.018 -4.527 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 120.331 -6.367 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 28 119.238 -6.364 -6.780 1.00 0.00 H new ATOM 412 N VAL A 29 118.635 -1.669 -7.443 1.00 0.00 N ATOM 413 CA VAL A 29 118.420 -0.273 -7.921 1.00 0.00 C ATOM 414 C VAL A 29 119.533 0.631 -7.383 1.00 0.00 C ATOM 415 O VAL A 29 120.111 1.417 -8.106 1.00 0.00 O ATOM 416 CB VAL A 29 117.055 0.228 -7.435 1.00 0.00 C ATOM 417 CG1 VAL A 29 116.923 1.730 -7.701 1.00 0.00 C ATOM 418 CG2 VAL A 29 115.950 -0.515 -8.189 1.00 0.00 C ATOM 0 H VAL A 29 117.941 -2.016 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 29 118.441 -0.252 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 29 116.966 0.044 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 29 115.950 2.077 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 29 117.711 2.264 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 29 117.014 1.919 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 29 114.977 -0.163 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 29 116.049 -0.327 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 29 116.036 -1.585 -7.999 1.00 0.00 H new ATOM 428 N LEU A 30 119.831 0.530 -6.118 1.00 0.00 N ATOM 429 CA LEU A 30 120.899 1.385 -5.528 1.00 0.00 C ATOM 430 C LEU A 30 122.252 0.986 -6.113 1.00 0.00 C ATOM 431 O LEU A 30 123.101 1.817 -6.369 1.00 0.00 O ATOM 432 CB LEU A 30 120.925 1.202 -4.009 1.00 0.00 C ATOM 433 CG LEU A 30 119.576 1.618 -3.405 1.00 0.00 C ATOM 434 CD1 LEU A 30 119.567 1.269 -1.914 1.00 0.00 C ATOM 435 CD2 LEU A 30 119.355 3.133 -3.579 1.00 0.00 C ATOM 0 H LEU A 30 119.379 -0.110 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 30 120.695 2.430 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 121.137 0.161 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 30 121.726 1.801 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 30 118.775 1.086 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 30 118.612 1.561 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 30 119.709 0.195 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 30 120.374 1.802 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 30 118.395 3.413 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 30 120.153 3.677 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 30 119.361 3.382 -4.640 1.00 0.00 H new ATOM 447 N GLY A 31 122.461 -0.281 -6.323 1.00 0.00 N ATOM 448 CA GLY A 31 123.760 -0.734 -6.889 1.00 0.00 C ATOM 449 C GLY A 31 123.969 -0.090 -8.260 1.00 0.00 C ATOM 450 O GLY A 31 125.065 0.292 -8.617 1.00 0.00 O ATOM 0 H GLY A 31 121.789 -1.023 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 31 124.576 -0.462 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 31 123.771 -1.820 -6.980 1.00 0.00 H new ATOM 454 N LYS A 32 122.926 0.023 -9.039 1.00 0.00 N ATOM 455 CA LYS A 32 123.065 0.631 -10.393 1.00 0.00 C ATOM 456 C LYS A 32 123.461 2.108 -10.283 1.00 0.00 C ATOM 457 O LYS A 32 124.243 2.599 -11.073 1.00 0.00 O ATOM 458 CB LYS A 32 121.742 0.523 -11.152 1.00 0.00 C ATOM 459 CG LYS A 32 121.966 0.921 -12.617 1.00 0.00 C ATOM 460 CD LYS A 32 120.624 0.994 -13.350 1.00 0.00 C ATOM 461 CE LYS A 32 119.929 -0.372 -13.313 1.00 0.00 C ATOM 462 NZ LYS A 32 118.931 -0.447 -14.415 1.00 0.00 N ATOM 0 H LYS A 32 121.983 -0.280 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 32 123.844 0.091 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 32 121.358 -0.495 -11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 32 120.994 1.172 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 32 122.470 1.886 -12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 32 122.617 0.195 -13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 119.988 1.747 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 32 120.781 1.303 -14.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 120.664 -1.170 -13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 32 119.437 -0.517 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 118.458 -1.373 -14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 118.224 0.306 -14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 119.413 -0.327 -15.329 1.00 0.00 H new ATOM 476 N LYS A 33 122.917 2.835 -9.342 1.00 0.00 N ATOM 477 CA LYS A 33 123.270 4.281 -9.250 1.00 0.00 C ATOM 478 C LYS A 33 124.748 4.428 -8.882 1.00 0.00 C ATOM 479 O LYS A 33 125.465 5.204 -9.477 1.00 0.00 O ATOM 480 CB LYS A 33 122.410 4.957 -8.177 1.00 0.00 C ATOM 481 CG LYS A 33 120.943 4.979 -8.621 1.00 0.00 C ATOM 482 CD LYS A 33 120.096 5.656 -7.540 1.00 0.00 C ATOM 483 CE LYS A 33 118.626 5.684 -7.971 1.00 0.00 C ATOM 484 NZ LYS A 33 118.487 6.445 -9.245 1.00 0.00 N ATOM 0 H LYS A 33 122.254 2.497 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 33 123.086 4.755 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 33 122.505 4.422 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.762 5.974 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 33 120.845 5.515 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 33 120.588 3.963 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 33 120.197 5.119 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 120.453 6.671 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 118.257 4.667 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 33 118.018 6.146 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 117.500 6.754 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 119.110 7.278 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 118.754 5.835 -10.044 1.00 0.00 H new ATOM 498 N LEU A 34 125.220 3.681 -7.922 1.00 0.00 N ATOM 499 CA LEU A 34 126.661 3.779 -7.549 1.00 0.00 C ATOM 500 C LEU A 34 127.516 3.360 -8.755 1.00 0.00 C ATOM 501 O LEU A 34 128.568 3.910 -9.011 1.00 0.00 O ATOM 502 CB LEU A 34 126.952 2.868 -6.348 1.00 0.00 C ATOM 503 CG LEU A 34 126.283 3.419 -5.077 1.00 0.00 C ATOM 504 CD1 LEU A 34 126.384 2.367 -3.968 1.00 0.00 C ATOM 505 CD2 LEU A 34 126.981 4.716 -4.612 1.00 0.00 C ATOM 0 H LEU A 34 124.674 3.010 -7.382 1.00 0.00 H new ATOM 0 HA LEU A 34 126.903 4.805 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 34 126.586 1.861 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 34 128.028 2.791 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 34 125.239 3.644 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 34 125.913 2.747 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 34 125.878 1.455 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 34 127.433 2.149 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 126.493 5.089 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 128.029 4.508 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 34 126.915 5.467 -5.399 1.00 0.00 H new ATOM 517 N GLU A 35 127.062 2.379 -9.486 1.00 0.00 N ATOM 518 CA GLU A 35 127.844 1.907 -10.674 1.00 0.00 C ATOM 519 C GLU A 35 128.019 3.054 -11.672 1.00 0.00 C ATOM 520 O GLU A 35 129.073 3.230 -12.249 1.00 0.00 O ATOM 521 CB GLU A 35 127.110 0.742 -11.347 1.00 0.00 C ATOM 522 CG GLU A 35 127.908 0.257 -12.561 1.00 0.00 C ATOM 523 CD GLU A 35 127.230 -0.975 -13.164 1.00 0.00 C ATOM 524 OE1 GLU A 35 126.315 -1.488 -12.540 1.00 0.00 O ATOM 525 OE2 GLU A 35 127.635 -1.384 -14.239 1.00 0.00 O ATOM 0 H GLU A 35 126.187 1.883 -9.316 1.00 0.00 H new ATOM 0 HA GLU A 35 128.826 1.570 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 35 126.978 -0.075 -10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 35 126.114 1.059 -11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 35 127.973 1.050 -13.306 1.00 0.00 H new ATOM 0 HG3 GLU A 35 128.928 0.014 -12.264 1.00 0.00 H new ATOM 532 N GLU A 36 127.001 3.839 -11.873 1.00 0.00 N ATOM 533 CA GLU A 36 127.112 4.981 -12.825 1.00 0.00 C ATOM 534 C GLU A 36 128.067 6.021 -12.242 1.00 0.00 C ATOM 535 O GLU A 36 128.575 6.879 -12.938 1.00 0.00 O ATOM 536 CB GLU A 36 125.734 5.609 -13.033 1.00 0.00 C ATOM 537 CG GLU A 36 124.850 4.648 -13.829 1.00 0.00 C ATOM 538 CD GLU A 36 123.471 5.277 -14.038 1.00 0.00 C ATOM 539 OE1 GLU A 36 123.207 6.297 -13.423 1.00 0.00 O ATOM 540 OE2 GLU A 36 122.703 4.727 -14.810 1.00 0.00 O ATOM 0 H GLU A 36 126.093 3.741 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 36 127.492 4.628 -13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 36 125.274 5.830 -12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 36 125.831 6.556 -13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 36 125.310 4.427 -14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 36 124.753 3.701 -13.297 1.00 0.00 H new ATOM 547 N ARG A 37 128.291 5.963 -10.961 1.00 0.00 N ATOM 548 CA ARG A 37 129.190 6.960 -10.309 1.00 0.00 C ATOM 549 C ARG A 37 130.642 6.458 -10.306 1.00 0.00 C ATOM 550 O ARG A 37 131.531 7.140 -9.835 1.00 0.00 O ATOM 551 CB ARG A 37 128.715 7.198 -8.872 1.00 0.00 C ATOM 552 CG ARG A 37 127.287 7.770 -8.865 1.00 0.00 C ATOM 553 CD ARG A 37 127.275 9.244 -9.302 1.00 0.00 C ATOM 554 NE ARG A 37 128.296 10.006 -8.528 1.00 0.00 N ATOM 555 CZ ARG A 37 128.648 11.202 -8.916 1.00 0.00 C ATOM 556 NH1 ARG A 37 128.115 11.723 -9.988 1.00 0.00 N ATOM 557 NH2 ARG A 37 129.534 11.875 -8.235 1.00 0.00 N ATOM 0 H ARG A 37 127.890 5.267 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 37 129.154 7.894 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 37 128.741 6.262 -8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 37 129.392 7.888 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 37 126.655 7.185 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 37 126.862 7.681 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 37 127.483 9.319 -10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 37 126.286 9.673 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 37 128.719 9.594 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 37 127.424 11.196 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 37 128.390 12.657 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 37 129.952 11.467 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 37 129.809 12.809 -8.539 1.00 0.00 H new ATOM 571 N GLY A 38 130.905 5.297 -10.866 1.00 0.00 N ATOM 572 CA GLY A 38 132.321 4.794 -10.934 1.00 0.00 C ATOM 573 C GLY A 38 132.595 3.698 -9.899 1.00 0.00 C ATOM 574 O GLY A 38 133.710 3.230 -9.782 1.00 0.00 O ATOM 0 H GLY A 38 130.206 4.679 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 38 132.520 4.406 -11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 133.008 5.624 -10.772 1.00 0.00 H new ATOM 578 N PHE A 39 131.606 3.264 -9.163 1.00 0.00 N ATOM 579 CA PHE A 39 131.833 2.174 -8.158 1.00 0.00 C ATOM 580 C PHE A 39 131.251 0.881 -8.727 1.00 0.00 C ATOM 581 O PHE A 39 130.198 0.428 -8.326 1.00 0.00 O ATOM 582 CB PHE A 39 131.112 2.527 -6.860 1.00 0.00 C ATOM 583 CG PHE A 39 131.720 3.770 -6.262 1.00 0.00 C ATOM 584 CD1 PHE A 39 131.217 5.022 -6.614 1.00 0.00 C ATOM 585 CD2 PHE A 39 132.783 3.671 -5.360 1.00 0.00 C ATOM 586 CE1 PHE A 39 131.776 6.182 -6.070 1.00 0.00 C ATOM 587 CE2 PHE A 39 133.344 4.830 -4.812 1.00 0.00 C ATOM 588 CZ PHE A 39 132.842 6.087 -5.168 1.00 0.00 C ATOM 0 H PHE A 39 130.649 3.615 -9.211 1.00 0.00 H new ATOM 0 HA PHE A 39 132.897 2.056 -7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 39 130.051 2.687 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 39 131.186 1.699 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 39 130.393 5.096 -7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 39 133.171 2.701 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 39 131.386 7.151 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 39 134.165 4.754 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 39 133.276 6.982 -4.748 1.00 0.00 H new ATOM 598 N ASP A 40 131.923 0.306 -9.686 1.00 0.00 N ATOM 599 CA ASP A 40 131.402 -0.940 -10.319 1.00 0.00 C ATOM 600 C ASP A 40 131.764 -2.171 -9.483 1.00 0.00 C ATOM 601 O ASP A 40 131.267 -3.252 -9.732 1.00 0.00 O ATOM 602 CB ASP A 40 132.007 -1.080 -11.717 1.00 0.00 C ATOM 603 CG ASP A 40 133.528 -1.187 -11.607 1.00 0.00 C ATOM 604 OD1 ASP A 40 134.054 -0.830 -10.565 1.00 0.00 O ATOM 605 OD2 ASP A 40 134.143 -1.623 -12.566 1.00 0.00 O ATOM 0 H ASP A 40 132.810 0.644 -10.059 1.00 0.00 H new ATOM 0 HA ASP A 40 130.316 -0.874 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 40 131.605 -1.964 -12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 40 131.736 -0.220 -12.330 1.00 0.00 H new ATOM 610 N LYS A 41 132.622 -2.030 -8.499 1.00 0.00 N ATOM 611 CA LYS A 41 133.006 -3.214 -7.660 1.00 0.00 C ATOM 612 C LYS A 41 133.011 -2.827 -6.178 1.00 0.00 C ATOM 613 O LYS A 41 133.115 -1.672 -5.821 1.00 0.00 O ATOM 614 CB LYS A 41 134.381 -3.727 -8.092 1.00 0.00 C ATOM 615 CG LYS A 41 134.300 -4.156 -9.561 1.00 0.00 C ATOM 616 CD LYS A 41 135.650 -4.706 -10.023 1.00 0.00 C ATOM 617 CE LYS A 41 135.579 -5.064 -11.510 1.00 0.00 C ATOM 618 NZ LYS A 41 135.646 -3.817 -12.325 1.00 0.00 N ATOM 0 H LYS A 41 133.071 -1.152 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 41 132.276 -4.011 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 41 135.133 -2.948 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 41 134.685 -4.567 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 41 133.528 -4.915 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 41 134.013 -3.306 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 41 136.432 -3.966 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 41 135.914 -5.588 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 41 136.401 -5.729 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 41 134.654 -5.601 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 135.819 -4.062 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 134.746 -3.302 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 136.420 -3.216 -11.977 1.00 0.00 H new ATOM 632 N ALA A 42 132.853 -3.798 -5.321 1.00 0.00 N ATOM 633 CA ALA A 42 132.797 -3.526 -3.853 1.00 0.00 C ATOM 634 C ALA A 42 134.121 -2.970 -3.302 1.00 0.00 C ATOM 635 O ALA A 42 134.114 -2.087 -2.467 1.00 0.00 O ATOM 636 CB ALA A 42 132.464 -4.828 -3.122 1.00 0.00 C ATOM 0 H ALA A 42 132.759 -4.781 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 42 132.030 -2.769 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 42 132.420 -4.642 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 42 131.499 -5.201 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 42 133.235 -5.570 -3.331 1.00 0.00 H new ATOM 642 N TYR A 43 135.250 -3.492 -3.705 1.00 0.00 N ATOM 643 CA TYR A 43 136.534 -2.991 -3.121 1.00 0.00 C ATOM 644 C TYR A 43 136.735 -1.500 -3.417 1.00 0.00 C ATOM 645 O TYR A 43 137.478 -0.831 -2.727 1.00 0.00 O ATOM 646 CB TYR A 43 137.735 -3.806 -3.625 1.00 0.00 C ATOM 647 CG TYR A 43 138.014 -3.545 -5.087 1.00 0.00 C ATOM 648 CD1 TYR A 43 138.654 -2.363 -5.482 1.00 0.00 C ATOM 649 CD2 TYR A 43 137.660 -4.501 -6.046 1.00 0.00 C ATOM 650 CE1 TYR A 43 138.936 -2.138 -6.834 1.00 0.00 C ATOM 651 CE2 TYR A 43 137.943 -4.274 -7.396 1.00 0.00 C ATOM 652 CZ TYR A 43 138.580 -3.093 -7.791 1.00 0.00 C ATOM 653 OH TYR A 43 138.859 -2.871 -9.124 1.00 0.00 O ATOM 0 H TYR A 43 135.341 -4.232 -4.402 1.00 0.00 H new ATOM 0 HA TYR A 43 136.469 -3.118 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 43 138.617 -3.556 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 43 137.542 -4.868 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 43 138.930 -1.625 -4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 43 137.168 -5.414 -5.743 1.00 0.00 H new ATOM 0 HE1 TYR A 43 139.429 -1.226 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 43 137.669 -5.012 -8.136 1.00 0.00 H new ATOM 0 HH TYR A 43 138.772 -3.711 -9.621 1.00 0.00 H new ATOM 663 N VAL A 44 136.071 -0.955 -4.399 1.00 0.00 N ATOM 664 CA VAL A 44 136.238 0.505 -4.660 1.00 0.00 C ATOM 665 C VAL A 44 135.412 1.245 -3.605 1.00 0.00 C ATOM 666 O VAL A 44 135.746 2.325 -3.157 1.00 0.00 O ATOM 667 CB VAL A 44 135.729 0.861 -6.066 1.00 0.00 C ATOM 668 CG1 VAL A 44 135.905 2.361 -6.325 1.00 0.00 C ATOM 669 CG2 VAL A 44 136.529 0.085 -7.114 1.00 0.00 C ATOM 0 H VAL A 44 135.431 -1.446 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 44 137.290 0.787 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 44 134.673 0.599 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 44 135.541 2.603 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 44 135.338 2.927 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 44 136.961 2.622 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 44 136.166 0.339 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 44 137.584 0.347 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 44 136.407 -0.985 -6.946 1.00 0.00 H new ATOM 679 N VAL A 45 134.332 0.628 -3.204 1.00 0.00 N ATOM 680 CA VAL A 45 133.445 1.229 -2.171 1.00 0.00 C ATOM 681 C VAL A 45 134.121 1.080 -0.807 1.00 0.00 C ATOM 682 O VAL A 45 134.082 1.975 0.014 1.00 0.00 O ATOM 683 CB VAL A 45 132.102 0.500 -2.160 1.00 0.00 C ATOM 684 CG1 VAL A 45 131.253 1.018 -0.997 1.00 0.00 C ATOM 685 CG2 VAL A 45 131.373 0.754 -3.483 1.00 0.00 C ATOM 0 H VAL A 45 134.025 -0.279 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 45 133.274 2.283 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 45 132.268 -0.571 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 45 130.294 0.499 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 45 131.774 0.836 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 131.085 2.088 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 45 130.415 0.234 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 45 131.205 1.824 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 45 131.980 0.385 -4.310 1.00 0.00 H new ATOM 695 N LEU A 46 134.769 -0.026 -0.570 1.00 0.00 N ATOM 696 CA LEU A 46 135.474 -0.198 0.729 1.00 0.00 C ATOM 697 C LEU A 46 136.513 0.914 0.839 1.00 0.00 C ATOM 698 O LEU A 46 136.719 1.492 1.886 1.00 0.00 O ATOM 699 CB LEU A 46 136.169 -1.570 0.774 1.00 0.00 C ATOM 700 CG LEU A 46 136.916 -1.751 2.113 1.00 0.00 C ATOM 701 CD1 LEU A 46 135.917 -1.727 3.286 1.00 0.00 C ATOM 702 CD2 LEU A 46 137.702 -3.085 2.113 1.00 0.00 C ATOM 0 H LEU A 46 134.841 -0.813 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 46 134.767 -0.147 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 135.431 -2.363 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 46 136.870 -1.657 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 46 137.621 -0.928 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 46 136.455 -1.856 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 46 135.391 -0.772 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 46 135.197 -2.536 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 46 138.224 -3.200 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 46 137.009 -3.915 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 46 138.427 -3.080 1.299 1.00 0.00 H new ATOM 714 N GLY A 47 137.168 1.216 -0.248 1.00 0.00 N ATOM 715 CA GLY A 47 138.198 2.287 -0.234 1.00 0.00 C ATOM 716 C GLY A 47 137.589 3.589 0.293 1.00 0.00 C ATOM 717 O GLY A 47 138.180 4.272 1.104 1.00 0.00 O ATOM 0 H GLY A 47 137.031 0.762 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 47 139.038 1.988 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 47 138.590 2.440 -1.240 1.00 0.00 H new ATOM 721 N GLN A 48 136.410 3.942 -0.153 1.00 0.00 N ATOM 722 CA GLN A 48 135.777 5.201 0.342 1.00 0.00 C ATOM 723 C GLN A 48 135.590 5.109 1.863 1.00 0.00 C ATOM 724 O GLN A 48 135.855 6.045 2.591 1.00 0.00 O ATOM 725 CB GLN A 48 134.414 5.385 -0.331 1.00 0.00 C ATOM 726 CG GLN A 48 133.847 6.766 0.013 1.00 0.00 C ATOM 727 CD GLN A 48 134.711 7.853 -0.634 1.00 0.00 C ATOM 728 OE1 GLN A 48 134.775 7.954 -1.842 1.00 0.00 O ATOM 729 NE2 GLN A 48 135.381 8.674 0.126 1.00 0.00 N ATOM 0 H GLN A 48 135.862 3.417 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 48 136.416 6.051 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 48 134.515 5.282 -1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 48 133.727 4.607 0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 48 132.819 6.846 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 48 133.824 6.902 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 48 135.327 8.589 1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 48 135.959 9.402 -0.295 1.00 0.00 H new ATOM 738 N PHE A 49 135.143 3.979 2.343 1.00 0.00 N ATOM 739 CA PHE A 49 134.940 3.800 3.812 1.00 0.00 C ATOM 740 C PHE A 49 136.281 3.999 4.526 1.00 0.00 C ATOM 741 O PHE A 49 136.359 4.594 5.583 1.00 0.00 O ATOM 742 CB PHE A 49 134.416 2.381 4.058 1.00 0.00 C ATOM 743 CG PHE A 49 134.193 2.148 5.534 1.00 0.00 C ATOM 744 CD1 PHE A 49 133.134 2.787 6.190 1.00 0.00 C ATOM 745 CD2 PHE A 49 135.031 1.279 6.244 1.00 0.00 C ATOM 746 CE1 PHE A 49 132.914 2.558 7.553 1.00 0.00 C ATOM 747 CE2 PHE A 49 134.813 1.052 7.608 1.00 0.00 C ATOM 748 CZ PHE A 49 133.754 1.691 8.262 1.00 0.00 C ATOM 0 H PHE A 49 134.908 3.165 1.776 1.00 0.00 H new ATOM 0 HA PHE A 49 134.222 4.525 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 49 133.482 2.232 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 49 135.128 1.652 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 49 132.487 3.457 5.644 1.00 0.00 H new ATOM 0 HD2 PHE A 49 135.847 0.783 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 49 132.096 3.050 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 49 135.462 0.384 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 49 133.584 1.515 9.314 1.00 0.00 H new ATOM 758 N LEU A 50 137.328 3.501 3.949 1.00 0.00 N ATOM 759 CA LEU A 50 138.666 3.657 4.592 1.00 0.00 C ATOM 760 C LEU A 50 139.056 5.136 4.557 1.00 0.00 C ATOM 761 O LEU A 50 139.653 5.654 5.479 1.00 0.00 O ATOM 762 CB LEU A 50 139.708 2.823 3.843 1.00 0.00 C ATOM 763 CG LEU A 50 139.344 1.332 3.919 1.00 0.00 C ATOM 764 CD1 LEU A 50 140.328 0.531 3.062 1.00 0.00 C ATOM 765 CD2 LEU A 50 139.408 0.838 5.376 1.00 0.00 C ATOM 0 H LEU A 50 137.324 2.994 3.064 1.00 0.00 H new ATOM 0 HA LEU A 50 138.623 3.310 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 50 139.759 3.140 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 140.695 2.987 4.275 1.00 0.00 H new ATOM 0 HG LEU A 50 138.329 1.193 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 50 140.075 -0.528 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 50 140.269 0.870 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 141.341 0.680 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 50 139.148 -0.220 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 140.417 0.977 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 50 138.704 1.407 5.984 1.00 0.00 H new ATOM 777 N VAL A 51 138.730 5.818 3.496 1.00 0.00 N ATOM 778 CA VAL A 51 139.083 7.264 3.395 1.00 0.00 C ATOM 779 C VAL A 51 138.317 8.069 4.454 1.00 0.00 C ATOM 780 O VAL A 51 138.764 9.107 4.899 1.00 0.00 O ATOM 781 CB VAL A 51 138.727 7.780 1.996 1.00 0.00 C ATOM 782 CG1 VAL A 51 138.929 9.300 1.937 1.00 0.00 C ATOM 783 CG2 VAL A 51 139.632 7.103 0.959 1.00 0.00 C ATOM 0 H VAL A 51 138.233 5.437 2.691 1.00 0.00 H new ATOM 0 HA VAL A 51 140.153 7.384 3.566 1.00 0.00 H new ATOM 0 HB VAL A 51 137.684 7.548 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 51 138.675 9.662 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 51 138.286 9.781 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 51 139.970 9.537 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 51 139.381 7.468 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 51 140.674 7.335 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 51 139.485 6.024 0.997 1.00 0.00 H new ATOM 793 N LEU A 52 137.159 7.607 4.851 1.00 0.00 N ATOM 794 CA LEU A 52 136.357 8.359 5.869 1.00 0.00 C ATOM 795 C LEU A 52 136.747 7.925 7.284 1.00 0.00 C ATOM 796 O LEU A 52 136.070 8.250 8.239 1.00 0.00 O ATOM 797 CB LEU A 52 134.868 8.079 5.654 1.00 0.00 C ATOM 798 CG LEU A 52 134.438 8.545 4.258 1.00 0.00 C ATOM 799 CD1 LEU A 52 132.977 8.152 4.037 1.00 0.00 C ATOM 800 CD2 LEU A 52 134.585 10.076 4.138 1.00 0.00 C ATOM 0 H LEU A 52 136.733 6.743 4.516 1.00 0.00 H new ATOM 0 HA LEU A 52 136.558 9.424 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 52 134.671 7.013 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 134.280 8.593 6.414 1.00 0.00 H new ATOM 0 HG LEU A 52 135.071 8.074 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 52 132.658 8.478 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 52 132.876 7.069 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 52 132.354 8.628 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 52 134.277 10.394 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 133.957 10.561 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 52 135.626 10.356 4.302 1.00 0.00 H new ATOM 812 N LYS A 53 137.831 7.218 7.447 1.00 0.00 N ATOM 813 CA LYS A 53 138.243 6.806 8.817 1.00 0.00 C ATOM 814 C LYS A 53 137.048 6.225 9.587 1.00 0.00 C ATOM 815 O LYS A 53 136.882 6.479 10.761 1.00 0.00 O ATOM 816 CB LYS A 53 138.793 8.022 9.561 1.00 0.00 C ATOM 817 CG LYS A 53 140.108 8.458 8.912 1.00 0.00 C ATOM 818 CD LYS A 53 140.666 9.676 9.650 1.00 0.00 C ATOM 819 CE LYS A 53 141.981 10.108 8.997 1.00 0.00 C ATOM 820 NZ LYS A 53 142.512 11.311 9.696 1.00 0.00 N ATOM 0 H LYS A 53 138.446 6.909 6.694 1.00 0.00 H new ATOM 0 HA LYS A 53 139.012 6.037 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 53 138.071 8.838 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 53 138.955 7.778 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 53 140.828 7.641 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 53 139.944 8.700 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 53 139.946 10.494 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 53 140.831 9.435 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 53 142.707 9.296 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 53 141.820 10.329 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 143.406 11.604 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 141.821 12.085 9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 142.681 11.085 10.697 1.00 0.00 H new ATOM 834 N LYS A 54 136.224 5.442 8.930 1.00 0.00 N ATOM 835 CA LYS A 54 135.036 4.816 9.600 1.00 0.00 C ATOM 836 C LYS A 54 134.083 5.889 10.148 1.00 0.00 C ATOM 837 O LYS A 54 133.265 5.606 11.000 1.00 0.00 O ATOM 838 CB LYS A 54 135.504 3.928 10.761 1.00 0.00 C ATOM 839 CG LYS A 54 136.534 2.914 10.255 1.00 0.00 C ATOM 840 CD LYS A 54 136.882 1.925 11.375 1.00 0.00 C ATOM 841 CE LYS A 54 137.670 2.633 12.483 1.00 0.00 C ATOM 842 NZ LYS A 54 138.391 1.619 13.305 1.00 0.00 N ATOM 0 H LYS A 54 136.326 5.206 7.943 1.00 0.00 H new ATOM 0 HA LYS A 54 134.506 4.218 8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 54 135.941 4.543 11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 134.652 3.408 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 54 136.137 2.377 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 54 137.434 3.431 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 54 135.969 1.495 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 54 137.469 1.100 10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 54 138.380 3.335 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 54 136.994 3.212 13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 138.926 2.098 14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 137.704 0.966 13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 139.047 1.085 12.700 1.00 0.00 H new ATOM 856 N ASP A 55 134.149 7.102 9.670 1.00 0.00 N ATOM 857 CA ASP A 55 133.201 8.136 10.190 1.00 0.00 C ATOM 858 C ASP A 55 131.787 7.794 9.684 1.00 0.00 C ATOM 859 O ASP A 55 131.487 7.915 8.513 1.00 0.00 O ATOM 860 CB ASP A 55 133.626 9.516 9.684 1.00 0.00 C ATOM 861 CG ASP A 55 132.669 10.583 10.223 1.00 0.00 C ATOM 862 OD1 ASP A 55 131.483 10.310 10.294 1.00 0.00 O ATOM 863 OD2 ASP A 55 133.139 11.663 10.545 1.00 0.00 O ATOM 0 H ASP A 55 134.804 7.421 8.956 1.00 0.00 H new ATOM 0 HA ASP A 55 133.208 8.148 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 55 134.645 9.733 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 55 133.625 9.530 8.594 1.00 0.00 H new ATOM 868 N GLU A 56 130.935 7.332 10.563 1.00 0.00 N ATOM 869 CA GLU A 56 129.545 6.928 10.168 1.00 0.00 C ATOM 870 C GLU A 56 128.698 8.102 9.639 1.00 0.00 C ATOM 871 O GLU A 56 127.940 7.946 8.708 1.00 0.00 O ATOM 872 CB GLU A 56 128.843 6.320 11.386 1.00 0.00 C ATOM 873 CG GLU A 56 127.475 5.763 10.978 1.00 0.00 C ATOM 874 CD GLU A 56 126.793 5.139 12.197 1.00 0.00 C ATOM 875 OE1 GLU A 56 127.392 5.159 13.260 1.00 0.00 O ATOM 876 OE2 GLU A 56 125.686 4.650 12.046 1.00 0.00 O ATOM 0 H GLU A 56 131.144 7.215 11.554 1.00 0.00 H new ATOM 0 HA GLU A 56 129.638 6.208 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 56 129.456 5.525 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 56 128.720 7.077 12.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 126.854 6.560 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 56 127.594 5.016 10.193 1.00 0.00 H new ATOM 883 N ASP A 57 128.794 9.262 10.228 1.00 0.00 N ATOM 884 CA ASP A 57 127.955 10.410 9.751 1.00 0.00 C ATOM 885 C ASP A 57 128.422 10.872 8.371 1.00 0.00 C ATOM 886 O ASP A 57 127.627 11.194 7.510 1.00 0.00 O ATOM 887 CB ASP A 57 128.064 11.574 10.737 1.00 0.00 C ATOM 888 CG ASP A 57 127.348 11.211 12.040 1.00 0.00 C ATOM 889 OD1 ASP A 57 126.158 11.461 12.127 1.00 0.00 O ATOM 890 OD2 ASP A 57 128.002 10.683 12.924 1.00 0.00 O ATOM 0 H ASP A 57 129.411 9.469 11.014 1.00 0.00 H new ATOM 0 HA ASP A 57 126.918 10.080 9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 57 129.112 11.798 10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 57 127.622 12.472 10.305 1.00 0.00 H new ATOM 895 N LEU A 58 129.694 10.906 8.156 1.00 0.00 N ATOM 896 CA LEU A 58 130.192 11.347 6.825 1.00 0.00 C ATOM 897 C LEU A 58 129.851 10.279 5.786 1.00 0.00 C ATOM 898 O LEU A 58 129.462 10.582 4.675 1.00 0.00 O ATOM 899 CB LEU A 58 131.705 11.560 6.873 1.00 0.00 C ATOM 900 CG LEU A 58 132.048 12.702 7.841 1.00 0.00 C ATOM 901 CD1 LEU A 58 133.569 12.788 7.997 1.00 0.00 C ATOM 902 CD2 LEU A 58 131.507 14.042 7.303 1.00 0.00 C ATOM 0 H LEU A 58 130.413 10.651 8.833 1.00 0.00 H new ATOM 0 HA LEU A 58 129.716 12.289 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 58 132.199 10.642 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 58 132.079 11.794 5.876 1.00 0.00 H new ATOM 0 HG LEU A 58 131.586 12.502 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 58 133.819 13.597 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 58 133.948 11.846 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 58 134.024 12.982 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 58 131.758 14.842 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 58 131.956 14.252 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 130.424 13.980 7.196 1.00 0.00 H new ATOM 914 N PHE A 59 129.964 9.034 6.148 1.00 0.00 N ATOM 915 CA PHE A 59 129.614 7.945 5.194 1.00 0.00 C ATOM 916 C PHE A 59 128.120 8.017 4.858 1.00 0.00 C ATOM 917 O PHE A 59 127.727 7.967 3.709 1.00 0.00 O ATOM 918 CB PHE A 59 129.954 6.590 5.823 1.00 0.00 C ATOM 919 CG PHE A 59 129.429 5.472 4.956 1.00 0.00 C ATOM 920 CD1 PHE A 59 130.177 5.018 3.862 1.00 0.00 C ATOM 921 CD2 PHE A 59 128.196 4.880 5.254 1.00 0.00 C ATOM 922 CE1 PHE A 59 129.690 3.973 3.066 1.00 0.00 C ATOM 923 CE2 PHE A 59 127.709 3.835 4.458 1.00 0.00 C ATOM 924 CZ PHE A 59 128.457 3.381 3.364 1.00 0.00 C ATOM 0 H PHE A 59 130.284 8.721 7.065 1.00 0.00 H new ATOM 0 HA PHE A 59 130.187 8.063 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 59 131.034 6.495 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 59 129.519 6.523 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 59 131.129 5.473 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 59 127.620 5.229 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 59 130.266 3.624 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 59 126.757 3.380 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 59 128.083 2.575 2.751 1.00 0.00 H new ATOM 934 N ARG A 60 127.283 8.118 5.859 1.00 0.00 N ATOM 935 CA ARG A 60 125.814 8.174 5.604 1.00 0.00 C ATOM 936 C ARG A 60 125.460 9.379 4.734 1.00 0.00 C ATOM 937 O ARG A 60 124.715 9.262 3.782 1.00 0.00 O ATOM 938 CB ARG A 60 125.066 8.287 6.936 1.00 0.00 C ATOM 939 CG ARG A 60 125.172 6.971 7.710 1.00 0.00 C ATOM 940 CD ARG A 60 124.530 7.137 9.088 1.00 0.00 C ATOM 941 NE ARG A 60 123.097 7.510 8.929 1.00 0.00 N ATOM 942 CZ ARG A 60 122.276 7.392 9.936 1.00 0.00 C ATOM 943 NH1 ARG A 60 122.706 6.921 11.074 1.00 0.00 N ATOM 944 NH2 ARG A 60 121.025 7.740 9.805 1.00 0.00 N ATOM 0 H ARG A 60 127.554 8.164 6.841 1.00 0.00 H new ATOM 0 HA ARG A 60 125.522 7.262 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 60 125.483 9.101 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 60 124.019 8.528 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 60 124.675 6.172 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 60 126.218 6.683 7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 60 124.614 6.209 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 60 125.056 7.905 9.655 1.00 0.00 H new ATOM 0 HE ARG A 60 122.757 7.858 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 60 123.683 6.646 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 60 122.065 6.828 11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 60 120.688 8.105 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 60 120.385 7.647 10.593 1.00 0.00 H new ATOM 958 N GLU A 61 125.974 10.538 5.042 1.00 0.00 N ATOM 959 CA GLU A 61 125.646 11.729 4.214 1.00 0.00 C ATOM 960 C GLU A 61 126.174 11.509 2.795 1.00 0.00 C ATOM 961 O GLU A 61 125.556 11.897 1.823 1.00 0.00 O ATOM 962 CB GLU A 61 126.296 12.974 4.825 1.00 0.00 C ATOM 963 CG GLU A 61 125.960 14.204 3.975 1.00 0.00 C ATOM 964 CD GLU A 61 126.540 15.456 4.633 1.00 0.00 C ATOM 965 OE1 GLU A 61 126.989 15.355 5.762 1.00 0.00 O ATOM 966 OE2 GLU A 61 126.520 16.497 3.996 1.00 0.00 O ATOM 0 H GLU A 61 126.603 10.710 5.826 1.00 0.00 H new ATOM 0 HA GLU A 61 124.566 11.873 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 61 125.941 13.117 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 61 127.377 12.842 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 61 126.367 14.087 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 61 124.879 14.303 3.871 1.00 0.00 H new ATOM 973 N TRP A 62 127.311 10.890 2.668 1.00 0.00 N ATOM 974 CA TRP A 62 127.877 10.647 1.311 1.00 0.00 C ATOM 975 C TRP A 62 126.977 9.708 0.498 1.00 0.00 C ATOM 976 O TRP A 62 126.698 9.952 -0.656 1.00 0.00 O ATOM 977 CB TRP A 62 129.273 10.017 1.439 1.00 0.00 C ATOM 978 CG TRP A 62 129.732 9.525 0.096 1.00 0.00 C ATOM 979 CD1 TRP A 62 130.341 10.277 -0.848 1.00 0.00 C ATOM 980 CD2 TRP A 62 129.599 8.186 -0.469 1.00 0.00 C ATOM 981 NE1 TRP A 62 130.601 9.483 -1.954 1.00 0.00 N ATOM 982 CE2 TRP A 62 130.162 8.185 -1.768 1.00 0.00 C ATOM 983 CE3 TRP A 62 129.055 6.982 0.019 1.00 0.00 C ATOM 984 CZ2 TRP A 62 130.181 7.031 -2.556 1.00 0.00 C ATOM 985 CZ3 TRP A 62 129.075 5.821 -0.772 1.00 0.00 C ATOM 986 CH2 TRP A 62 129.637 5.846 -2.055 1.00 0.00 C ATOM 0 H TRP A 62 127.875 10.541 3.443 1.00 0.00 H new ATOM 0 HA TRP A 62 127.942 11.604 0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 62 129.979 10.750 1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 62 129.246 9.191 2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 62 130.585 11.325 -0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 62 131.060 9.816 -2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 62 128.620 6.951 1.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 130.613 7.055 -3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 128.654 4.903 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 62 129.650 4.949 -2.657 1.00 0.00 H new ATOM 997 N LEU A 63 126.535 8.630 1.078 1.00 0.00 N ATOM 998 CA LEU A 63 125.679 7.680 0.315 1.00 0.00 C ATOM 999 C LEU A 63 124.306 8.297 0.031 1.00 0.00 C ATOM 1000 O LEU A 63 123.808 8.236 -1.075 1.00 0.00 O ATOM 1001 CB LEU A 63 125.512 6.389 1.130 1.00 0.00 C ATOM 1002 CG LEU A 63 124.632 5.378 0.375 1.00 0.00 C ATOM 1003 CD1 LEU A 63 125.305 4.959 -0.940 1.00 0.00 C ATOM 1004 CD2 LEU A 63 124.419 4.147 1.260 1.00 0.00 C ATOM 0 H LEU A 63 126.728 8.365 2.044 1.00 0.00 H new ATOM 0 HA LEU A 63 126.157 7.457 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 63 126.490 5.950 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 125.063 6.619 2.096 1.00 0.00 H new ATOM 0 HG LEU A 63 123.673 5.840 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 124.670 4.244 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 63 125.455 5.837 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 63 126.269 4.498 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 123.796 3.424 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 63 125.383 3.695 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 63 123.926 4.445 2.185 1.00 0.00 H new ATOM 1016 N LYS A 64 123.681 8.870 1.019 1.00 0.00 N ATOM 1017 CA LYS A 64 122.334 9.470 0.805 1.00 0.00 C ATOM 1018 C LYS A 64 122.405 10.568 -0.253 1.00 0.00 C ATOM 1019 O LYS A 64 121.619 10.608 -1.178 1.00 0.00 O ATOM 1020 CB LYS A 64 121.819 10.064 2.117 1.00 0.00 C ATOM 1021 CG LYS A 64 120.431 10.675 1.888 1.00 0.00 C ATOM 1022 CD LYS A 64 119.805 11.070 3.231 1.00 0.00 C ATOM 1023 CE LYS A 64 120.513 12.305 3.799 1.00 0.00 C ATOM 1024 NZ LYS A 64 119.711 12.864 4.923 1.00 0.00 N ATOM 0 H LYS A 64 124.045 8.950 1.969 1.00 0.00 H new ATOM 0 HA LYS A 64 121.654 8.689 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 121.766 9.291 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.509 10.826 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 64 120.512 11.550 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 64 119.789 9.959 1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 64 118.743 11.278 3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 64 119.882 10.241 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 64 121.510 12.037 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 64 120.639 13.056 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 120.191 13.702 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 118.768 13.134 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 119.613 12.147 5.670 1.00 0.00 H new ATOM 1038 N ASP A 65 123.336 11.468 -0.115 1.00 0.00 N ATOM 1039 CA ASP A 65 123.455 12.575 -1.101 1.00 0.00 C ATOM 1040 C ASP A 65 123.946 12.023 -2.439 1.00 0.00 C ATOM 1041 O ASP A 65 123.716 12.605 -3.481 1.00 0.00 O ATOM 1042 CB ASP A 65 124.451 13.614 -0.581 1.00 0.00 C ATOM 1043 CG ASP A 65 123.845 14.350 0.616 1.00 0.00 C ATOM 1044 OD1 ASP A 65 122.658 14.630 0.576 1.00 0.00 O ATOM 1045 OD2 ASP A 65 124.579 14.623 1.552 1.00 0.00 O ATOM 0 H ASP A 65 124.021 11.485 0.640 1.00 0.00 H new ATOM 0 HA ASP A 65 122.480 13.041 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 65 125.381 13.127 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 65 124.698 14.324 -1.371 1.00 0.00 H new ATOM 1050 N THR A 66 124.647 10.921 -2.419 1.00 0.00 N ATOM 1051 CA THR A 66 125.183 10.352 -3.689 1.00 0.00 C ATOM 1052 C THR A 66 124.110 9.562 -4.445 1.00 0.00 C ATOM 1053 O THR A 66 124.123 9.540 -5.660 1.00 0.00 O ATOM 1054 CB THR A 66 126.373 9.438 -3.375 1.00 0.00 C ATOM 1055 OG1 THR A 66 127.439 10.218 -2.852 1.00 0.00 O ATOM 1056 CG2 THR A 66 126.842 8.739 -4.653 1.00 0.00 C ATOM 0 H THR A 66 124.872 10.390 -1.577 1.00 0.00 H new ATOM 0 HA THR A 66 125.503 11.177 -4.325 1.00 0.00 H new ATOM 0 HB THR A 66 126.068 8.689 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 66 127.250 10.445 -1.917 1.00 0.00 H new ATOM 0 HG21 THR A 66 127.688 8.091 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 66 126.027 8.141 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 66 127.146 9.486 -5.386 1.00 0.00 H new ATOM 1064 N CYS A 67 123.203 8.878 -3.773 1.00 0.00 N ATOM 1065 CA CYS A 67 122.177 8.066 -4.514 1.00 0.00 C ATOM 1066 C CYS A 67 120.764 8.299 -3.976 1.00 0.00 C ATOM 1067 O CYS A 67 119.796 8.186 -4.701 1.00 0.00 O ATOM 1068 CB CYS A 67 122.522 6.583 -4.368 1.00 0.00 C ATOM 1069 SG CYS A 67 122.271 6.070 -2.651 1.00 0.00 S ATOM 0 H CYS A 67 123.130 8.848 -2.756 1.00 0.00 H new ATOM 0 HA CYS A 67 122.195 8.374 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 67 121.897 5.986 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 67 123.557 6.409 -4.663 1.00 0.00 H new ATOM 0 HG CYS A 67 122.875 6.903 -1.856 1.00 0.00 H new ATOM 1075 N GLY A 68 120.630 8.612 -2.708 1.00 0.00 N ATOM 1076 CA GLY A 68 119.271 8.842 -2.115 1.00 0.00 C ATOM 1077 C GLY A 68 118.900 7.666 -1.205 1.00 0.00 C ATOM 1078 O GLY A 68 117.758 7.506 -0.823 1.00 0.00 O ATOM 0 H GLY A 68 121.406 8.719 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.264 9.771 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 68 118.531 8.949 -2.908 1.00 0.00 H new ATOM 1082 N ALA A 69 119.850 6.840 -0.848 1.00 0.00 N ATOM 1083 CA ALA A 69 119.540 5.680 0.041 1.00 0.00 C ATOM 1084 C ALA A 69 118.820 6.170 1.301 1.00 0.00 C ATOM 1085 O ALA A 69 118.981 7.299 1.719 1.00 0.00 O ATOM 1086 CB ALA A 69 120.842 4.982 0.442 1.00 0.00 C ATOM 0 H ALA A 69 120.826 6.919 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 69 118.898 4.980 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 69 120.616 4.136 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 69 121.355 4.627 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 69 121.483 5.685 0.973 1.00 0.00 H new ATOM 1092 N ASN A 70 118.024 5.328 1.912 1.00 0.00 N ATOM 1093 CA ASN A 70 117.288 5.749 3.144 1.00 0.00 C ATOM 1094 C ASN A 70 118.120 5.416 4.386 1.00 0.00 C ATOM 1095 O ASN A 70 119.160 4.792 4.306 1.00 0.00 O ATOM 1096 CB ASN A 70 115.949 5.007 3.218 1.00 0.00 C ATOM 1097 CG ASN A 70 115.042 5.692 4.243 1.00 0.00 C ATOM 1098 OD1 ASN A 70 115.014 6.903 4.333 1.00 0.00 O ATOM 1099 ND2 ASN A 70 114.296 4.963 5.027 1.00 0.00 N ATOM 0 H ASN A 70 117.852 4.369 1.611 1.00 0.00 H new ATOM 0 HA ASN A 70 117.111 6.824 3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 70 115.470 5.001 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 70 116.113 3.967 3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 70 113.690 5.410 5.715 1.00 0.00 H new ATOM 0 HD22 ASN A 70 114.319 3.946 4.952 1.00 0.00 H new ATOM 1106 N ALA A 71 117.673 5.851 5.531 1.00 0.00 N ATOM 1107 CA ALA A 71 118.429 5.597 6.792 1.00 0.00 C ATOM 1108 C ALA A 71 118.525 4.097 7.102 1.00 0.00 C ATOM 1109 O ALA A 71 119.483 3.651 7.697 1.00 0.00 O ATOM 1110 CB ALA A 71 117.723 6.303 7.951 1.00 0.00 C ATOM 0 H ALA A 71 116.807 6.377 5.649 1.00 0.00 H new ATOM 0 HA ALA A 71 119.440 5.983 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 71 118.271 6.121 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 71 117.686 7.375 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 71 116.708 5.917 8.048 1.00 0.00 H new ATOM 1116 N LYS A 72 117.548 3.311 6.738 1.00 0.00 N ATOM 1117 CA LYS A 72 117.627 1.854 7.068 1.00 0.00 C ATOM 1118 C LYS A 72 118.689 1.161 6.210 1.00 0.00 C ATOM 1119 O LYS A 72 119.456 0.343 6.689 1.00 0.00 O ATOM 1120 CB LYS A 72 116.262 1.196 6.839 1.00 0.00 C ATOM 1121 CG LYS A 72 116.337 -0.280 7.242 1.00 0.00 C ATOM 1122 CD LYS A 72 114.924 -0.880 7.304 1.00 0.00 C ATOM 1123 CE LYS A 72 114.333 -1.003 5.894 1.00 0.00 C ATOM 1124 NZ LYS A 72 113.811 0.322 5.455 1.00 0.00 N ATOM 0 H LYS A 72 116.711 3.605 6.235 1.00 0.00 H new ATOM 0 HA LYS A 72 117.908 1.750 8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 72 115.497 1.706 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 72 115.974 1.285 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 72 116.944 -0.831 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 72 116.825 -0.376 8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 72 114.959 -1.861 7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 72 114.282 -0.251 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 72 115.095 -1.354 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 72 113.531 -1.742 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.784 0.361 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 114.276 1.076 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 114.008 0.455 4.442 1.00 0.00 H new ATOM 1138 N GLN A 73 118.739 1.470 4.944 1.00 0.00 N ATOM 1139 CA GLN A 73 119.738 0.817 4.054 1.00 0.00 C ATOM 1140 C GLN A 73 121.153 1.239 4.436 1.00 0.00 C ATOM 1141 O GLN A 73 122.086 0.466 4.338 1.00 0.00 O ATOM 1142 CB GLN A 73 119.457 1.199 2.595 1.00 0.00 C ATOM 1143 CG GLN A 73 118.267 0.391 2.068 1.00 0.00 C ATOM 1144 CD GLN A 73 117.005 0.774 2.841 1.00 0.00 C ATOM 1145 OE1 GLN A 73 116.419 1.809 2.597 1.00 0.00 O ATOM 1146 NE2 GLN A 73 116.562 -0.023 3.775 1.00 0.00 N ATOM 0 H GLN A 73 118.129 2.148 4.487 1.00 0.00 H new ATOM 0 HA GLN A 73 119.656 -0.264 4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 73 119.245 2.266 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 73 120.338 1.007 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 73 118.127 0.583 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 73 118.462 -0.676 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 73 117.055 -0.892 3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 73 115.723 0.224 4.300 1.00 0.00 H new ATOM 1155 N SER A 74 121.335 2.461 4.853 1.00 0.00 N ATOM 1156 CA SER A 74 122.699 2.920 5.218 1.00 0.00 C ATOM 1157 C SER A 74 123.189 2.184 6.470 1.00 0.00 C ATOM 1158 O SER A 74 124.349 1.841 6.575 1.00 0.00 O ATOM 1159 CB SER A 74 122.674 4.427 5.475 1.00 0.00 C ATOM 1160 OG SER A 74 123.992 4.938 5.345 1.00 0.00 O ATOM 0 H SER A 74 120.598 3.159 4.956 1.00 0.00 H new ATOM 0 HA SER A 74 123.382 2.702 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 74 122.007 4.919 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 74 122.287 4.633 6.473 1.00 0.00 H new ATOM 0 HG SER A 74 123.984 5.716 4.749 1.00 0.00 H new ATOM 1166 N ARG A 75 122.328 1.943 7.429 1.00 0.00 N ATOM 1167 CA ARG A 75 122.781 1.238 8.662 1.00 0.00 C ATOM 1168 C ARG A 75 123.327 -0.140 8.300 1.00 0.00 C ATOM 1169 O ARG A 75 124.278 -0.606 8.896 1.00 0.00 O ATOM 1170 CB ARG A 75 121.623 1.082 9.648 1.00 0.00 C ATOM 1171 CG ARG A 75 121.251 2.447 10.228 1.00 0.00 C ATOM 1172 CD ARG A 75 120.095 2.286 11.216 1.00 0.00 C ATOM 1173 NE ARG A 75 119.699 3.627 11.730 1.00 0.00 N ATOM 1174 CZ ARG A 75 118.590 3.771 12.402 1.00 0.00 C ATOM 1175 NH1 ARG A 75 117.832 2.736 12.643 1.00 0.00 N ATOM 1176 NH2 ARG A 75 118.240 4.950 12.838 1.00 0.00 N ATOM 0 H ARG A 75 121.342 2.202 7.410 1.00 0.00 H new ATOM 0 HA ARG A 75 123.566 1.832 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 75 120.761 0.643 9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 75 121.905 0.400 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 75 122.113 2.888 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 75 120.966 3.129 9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 75 119.247 1.806 10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 75 120.394 1.641 12.042 1.00 0.00 H new ATOM 0 HE ARG A 75 120.297 4.435 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 75 118.106 1.813 12.306 1.00 0.00 H new ATOM 0 HH12 ARG A 75 116.965 2.850 13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 75 118.833 5.759 12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 75 117.373 5.063 13.363 1.00 0.00 H new ATOM 1190 N ASP A 76 122.742 -0.816 7.351 1.00 0.00 N ATOM 1191 CA ASP A 76 123.235 -2.173 6.988 1.00 0.00 C ATOM 1192 C ASP A 76 124.598 -2.088 6.303 1.00 0.00 C ATOM 1193 O ASP A 76 125.456 -2.921 6.521 1.00 0.00 O ATOM 1194 CB ASP A 76 122.236 -2.849 6.049 1.00 0.00 C ATOM 1195 CG ASP A 76 120.963 -3.196 6.822 1.00 0.00 C ATOM 1196 OD1 ASP A 76 121.036 -3.290 8.036 1.00 0.00 O ATOM 1197 OD2 ASP A 76 119.935 -3.365 6.186 1.00 0.00 O ATOM 0 H ASP A 76 121.942 -0.486 6.810 1.00 0.00 H new ATOM 0 HA ASP A 76 123.338 -2.759 7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 76 121.999 -2.187 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 122.674 -3.752 5.624 1.00 0.00 H new ATOM 1202 N CYS A 77 124.825 -1.097 5.483 1.00 0.00 N ATOM 1203 CA CYS A 77 126.148 -0.996 4.809 1.00 0.00 C ATOM 1204 C CYS A 77 127.227 -0.652 5.839 1.00 0.00 C ATOM 1205 O CYS A 77 128.320 -1.176 5.797 1.00 0.00 O ATOM 1206 CB CYS A 77 126.094 0.108 3.753 1.00 0.00 C ATOM 1207 SG CYS A 77 125.040 -0.419 2.378 1.00 0.00 S ATOM 0 H CYS A 77 124.158 -0.361 5.253 1.00 0.00 H new ATOM 0 HA CYS A 77 126.386 -1.949 4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 77 125.704 1.026 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 77 127.098 0.329 3.391 1.00 0.00 H new ATOM 0 HG CYS A 77 124.923 -1.714 2.393 1.00 0.00 H new ATOM 1213 N PHE A 78 126.947 0.232 6.757 1.00 0.00 N ATOM 1214 CA PHE A 78 127.987 0.596 7.756 1.00 0.00 C ATOM 1215 C PHE A 78 128.409 -0.645 8.541 1.00 0.00 C ATOM 1216 O PHE A 78 129.562 -1.030 8.541 1.00 0.00 O ATOM 1217 CB PHE A 78 127.419 1.647 8.712 1.00 0.00 C ATOM 1218 CG PHE A 78 128.429 1.959 9.790 1.00 0.00 C ATOM 1219 CD1 PHE A 78 129.366 2.984 9.601 1.00 0.00 C ATOM 1220 CD2 PHE A 78 128.423 1.226 10.981 1.00 0.00 C ATOM 1221 CE1 PHE A 78 130.298 3.273 10.608 1.00 0.00 C ATOM 1222 CE2 PHE A 78 129.354 1.514 11.985 1.00 0.00 C ATOM 1223 CZ PHE A 78 130.291 2.537 11.799 1.00 0.00 C ATOM 0 H PHE A 78 126.053 0.713 6.857 1.00 0.00 H new ATOM 0 HA PHE A 78 128.859 1.002 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 78 127.169 2.554 8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 78 126.496 1.282 9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 78 129.370 3.550 8.681 1.00 0.00 H new ATOM 0 HD2 PHE A 78 127.699 0.437 11.126 1.00 0.00 H new ATOM 0 HE1 PHE A 78 131.021 4.063 10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 78 129.350 0.947 12.904 1.00 0.00 H new ATOM 0 HZ PHE A 78 131.009 2.759 12.575 1.00 0.00 H new ATOM 1233 N GLY A 79 127.486 -1.276 9.216 1.00 0.00 N ATOM 1234 CA GLY A 79 127.831 -2.491 10.005 1.00 0.00 C ATOM 1235 C GLY A 79 128.401 -3.571 9.082 1.00 0.00 C ATOM 1236 O GLY A 79 129.260 -4.337 9.462 1.00 0.00 O ATOM 0 H GLY A 79 126.505 -1.000 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 79 128.559 -2.239 10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 79 126.944 -2.868 10.515 1.00 0.00 H new ATOM 1240 N CYS A 80 127.935 -3.633 7.869 1.00 0.00 N ATOM 1241 CA CYS A 80 128.464 -4.664 6.930 1.00 0.00 C ATOM 1242 C CYS A 80 129.927 -4.358 6.603 1.00 0.00 C ATOM 1243 O CYS A 80 130.786 -5.212 6.706 1.00 0.00 O ATOM 1244 CB CYS A 80 127.643 -4.651 5.640 1.00 0.00 C ATOM 1245 SG CYS A 80 128.286 -5.903 4.502 1.00 0.00 S ATOM 0 H CYS A 80 127.215 -3.020 7.486 1.00 0.00 H new ATOM 0 HA CYS A 80 128.393 -5.646 7.397 1.00 0.00 H new ATOM 0 HB2 CYS A 80 126.595 -4.850 5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 80 127.689 -3.665 5.177 1.00 0.00 H new ATOM 0 HG CYS A 80 127.430 -6.876 4.399 1.00 0.00 H new ATOM 1251 N LEU A 81 130.224 -3.145 6.226 1.00 0.00 N ATOM 1252 CA LEU A 81 131.643 -2.810 5.918 1.00 0.00 C ATOM 1253 C LEU A 81 132.462 -2.802 7.215 1.00 0.00 C ATOM 1254 O LEU A 81 133.590 -3.251 7.246 1.00 0.00 O ATOM 1255 CB LEU A 81 131.723 -1.429 5.252 1.00 0.00 C ATOM 1256 CG LEU A 81 130.929 -1.419 3.936 1.00 0.00 C ATOM 1257 CD1 LEU A 81 131.039 -0.028 3.297 1.00 0.00 C ATOM 1258 CD2 LEU A 81 131.483 -2.479 2.967 1.00 0.00 C ATOM 0 H LEU A 81 129.557 -2.381 6.119 1.00 0.00 H new ATOM 0 HA LEU A 81 132.046 -3.559 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 81 131.329 -0.670 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 81 132.764 -1.172 5.057 1.00 0.00 H new ATOM 0 HG LEU A 81 129.885 -1.652 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 81 130.478 -0.012 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 81 130.631 0.719 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 81 132.086 0.198 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 81 130.910 -2.459 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 81 132.530 -2.263 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 131.402 -3.466 3.422 1.00 0.00 H new ATOM 1270 N ARG A 82 131.910 -2.285 8.284 1.00 0.00 N ATOM 1271 CA ARG A 82 132.665 -2.239 9.572 1.00 0.00 C ATOM 1272 C ARG A 82 133.037 -3.659 10.012 1.00 0.00 C ATOM 1273 O ARG A 82 134.141 -3.915 10.451 1.00 0.00 O ATOM 1274 CB ARG A 82 131.792 -1.584 10.646 1.00 0.00 C ATOM 1275 CG ARG A 82 132.562 -1.505 11.967 1.00 0.00 C ATOM 1276 CD ARG A 82 131.760 -0.676 12.976 1.00 0.00 C ATOM 1277 NE ARG A 82 132.397 -0.779 14.320 1.00 0.00 N ATOM 1278 CZ ARG A 82 132.047 0.040 15.276 1.00 0.00 C ATOM 1279 NH1 ARG A 82 131.130 0.943 15.059 1.00 0.00 N ATOM 1280 NH2 ARG A 82 132.613 -0.046 16.449 1.00 0.00 N ATOM 0 H ARG A 82 130.969 -1.893 8.320 1.00 0.00 H new ATOM 0 HA ARG A 82 133.577 -1.659 9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 82 131.496 -0.584 10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 82 130.876 -2.159 10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 82 132.736 -2.507 12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 133.540 -1.052 11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 82 131.722 0.366 12.658 1.00 0.00 H new ATOM 0 HD3 ARG A 82 130.731 -1.033 13.021 1.00 0.00 H new ATOM 0 HE ARG A 82 133.107 -1.490 14.494 1.00 0.00 H new ATOM 0 HH11 ARG A 82 130.686 1.009 14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 82 130.857 1.582 15.805 1.00 0.00 H new ATOM 0 HH21 ARG A 82 133.329 -0.753 16.619 1.00 0.00 H new ATOM 0 HH22 ARG A 82 132.340 0.593 17.195 1.00 0.00 H new ATOM 1294 N GLU A 83 132.124 -4.585 9.896 1.00 0.00 N ATOM 1295 CA GLU A 83 132.422 -5.988 10.303 1.00 0.00 C ATOM 1296 C GLU A 83 133.413 -6.635 9.338 1.00 0.00 C ATOM 1297 O GLU A 83 134.281 -7.377 9.751 1.00 0.00 O ATOM 1298 CB GLU A 83 131.132 -6.806 10.349 1.00 0.00 C ATOM 1299 CG GLU A 83 130.279 -6.340 11.529 1.00 0.00 C ATOM 1300 CD GLU A 83 128.975 -7.135 11.560 1.00 0.00 C ATOM 1301 OE1 GLU A 83 128.858 -8.072 10.788 1.00 0.00 O ATOM 1302 OE2 GLU A 83 128.113 -6.793 12.354 1.00 0.00 O ATOM 0 H GLU A 83 131.182 -4.430 9.536 1.00 0.00 H new ATOM 0 HA GLU A 83 132.871 -5.968 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 83 130.579 -6.687 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 83 131.364 -7.866 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 83 130.824 -6.479 12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 83 130.066 -5.275 11.439 1.00 0.00 H new ATOM 1309 N TRP A 84 133.325 -6.363 8.059 1.00 0.00 N ATOM 1310 CA TRP A 84 134.299 -6.973 7.115 1.00 0.00 C ATOM 1311 C TRP A 84 135.696 -6.516 7.535 1.00 0.00 C ATOM 1312 O TRP A 84 136.635 -7.287 7.570 1.00 0.00 O ATOM 1313 CB TRP A 84 134.003 -6.509 5.685 1.00 0.00 C ATOM 1314 CG TRP A 84 134.849 -7.288 4.728 1.00 0.00 C ATOM 1315 CD1 TRP A 84 134.482 -8.451 4.140 1.00 0.00 C ATOM 1316 CD2 TRP A 84 136.192 -6.992 4.246 1.00 0.00 C ATOM 1317 NE1 TRP A 84 135.514 -8.886 3.329 1.00 0.00 N ATOM 1318 CE2 TRP A 84 136.589 -8.022 3.361 1.00 0.00 C ATOM 1319 CE3 TRP A 84 137.096 -5.943 4.488 1.00 0.00 C ATOM 1320 CZ2 TRP A 84 137.838 -8.011 2.739 1.00 0.00 C ATOM 1321 CZ3 TRP A 84 138.354 -5.929 3.864 1.00 0.00 C ATOM 1322 CH2 TRP A 84 138.724 -6.963 2.991 1.00 0.00 C ATOM 0 H TRP A 84 132.627 -5.751 7.636 1.00 0.00 H new ATOM 0 HA TRP A 84 134.228 -8.060 7.141 1.00 0.00 H new ATOM 0 HB2 TRP A 84 132.947 -6.652 5.455 1.00 0.00 H new ATOM 0 HB3 TRP A 84 134.209 -5.443 5.586 1.00 0.00 H new ATOM 0 HD1 TRP A 84 133.538 -8.956 4.281 1.00 0.00 H new ATOM 0 HE1 TRP A 84 135.484 -9.742 2.775 1.00 0.00 H new ATOM 0 HE3 TRP A 84 136.821 -5.142 5.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 138.117 -8.809 2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 139.040 -5.118 4.057 1.00 0.00 H new ATOM 0 HH2 TRP A 84 139.693 -6.948 2.515 1.00 0.00 H new ATOM 1333 N CYS A 85 135.832 -5.261 7.863 1.00 0.00 N ATOM 1334 CA CYS A 85 137.157 -4.736 8.294 1.00 0.00 C ATOM 1335 C CYS A 85 137.601 -5.467 9.565 1.00 0.00 C ATOM 1336 O CYS A 85 138.756 -5.808 9.729 1.00 0.00 O ATOM 1337 CB CYS A 85 137.020 -3.237 8.579 1.00 0.00 C ATOM 1338 SG CYS A 85 137.005 -2.325 7.015 1.00 0.00 S ATOM 0 H CYS A 85 135.078 -4.574 7.851 1.00 0.00 H new ATOM 0 HA CYS A 85 137.899 -4.896 7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 85 136.102 -3.044 9.134 1.00 0.00 H new ATOM 0 HB3 CYS A 85 137.847 -2.897 9.203 1.00 0.00 H new ATOM 0 HG CYS A 85 136.886 -1.053 7.256 1.00 0.00 H new ATOM 1344 N ASP A 86 136.685 -5.712 10.460 1.00 0.00 N ATOM 1345 CA ASP A 86 137.026 -6.424 11.724 1.00 0.00 C ATOM 1346 C ASP A 86 137.582 -7.817 11.414 1.00 0.00 C ATOM 1347 O ASP A 86 138.441 -8.322 12.111 1.00 0.00 O ATOM 1348 CB ASP A 86 135.771 -6.558 12.591 1.00 0.00 C ATOM 1349 CG ASP A 86 135.375 -5.179 13.126 1.00 0.00 C ATOM 1350 OD1 ASP A 86 136.249 -4.337 13.243 1.00 0.00 O ATOM 1351 OD2 ASP A 86 134.203 -4.989 13.409 1.00 0.00 O ATOM 0 H ASP A 86 135.704 -5.447 10.369 1.00 0.00 H new ATOM 0 HA ASP A 86 137.783 -5.850 12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 86 134.955 -6.982 12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 86 135.958 -7.242 13.419 1.00 0.00 H new ATOM 1356 N ALA A 87 137.082 -8.456 10.388 1.00 0.00 N ATOM 1357 CA ALA A 87 137.564 -9.831 10.055 1.00 0.00 C ATOM 1358 C ALA A 87 138.800 -9.759 9.158 1.00 0.00 C ATOM 1359 O ALA A 87 139.694 -10.577 9.264 1.00 0.00 O ATOM 1360 CB ALA A 87 136.457 -10.593 9.319 1.00 0.00 C ATOM 0 H ALA A 87 136.362 -8.086 9.767 1.00 0.00 H new ATOM 0 HA ALA A 87 137.823 -10.346 10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 87 136.806 -11.596 9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 87 135.576 -10.661 9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 87 136.200 -10.065 8.401 1.00 0.00 H new ATOM 1366 N PHE A 88 138.848 -8.811 8.256 1.00 0.00 N ATOM 1367 CA PHE A 88 140.013 -8.712 7.326 1.00 0.00 C ATOM 1368 C PHE A 88 140.911 -7.545 7.723 1.00 0.00 C ATOM 1369 O PHE A 88 141.862 -7.708 8.461 1.00 0.00 O ATOM 1370 CB PHE A 88 139.497 -8.492 5.903 1.00 0.00 C ATOM 1371 CG PHE A 88 138.752 -9.725 5.447 1.00 0.00 C ATOM 1372 CD1 PHE A 88 139.463 -10.829 4.962 1.00 0.00 C ATOM 1373 CD2 PHE A 88 137.354 -9.766 5.513 1.00 0.00 C ATOM 1374 CE1 PHE A 88 138.776 -11.974 4.542 1.00 0.00 C ATOM 1375 CE2 PHE A 88 136.667 -10.911 5.093 1.00 0.00 C ATOM 1376 CZ PHE A 88 137.379 -12.015 4.608 1.00 0.00 C ATOM 0 H PHE A 88 138.129 -8.100 8.124 1.00 0.00 H new ATOM 0 HA PHE A 88 140.591 -9.634 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 88 138.839 -7.623 5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 88 140.329 -8.286 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 88 140.541 -10.797 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 88 136.806 -8.914 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 88 139.324 -12.826 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 88 135.589 -10.943 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 88 136.849 -12.899 4.285 1.00 0.00 H new ATOM 1386 N LEU A 89 140.625 -6.364 7.243 1.00 0.00 N ATOM 1387 CA LEU A 89 141.466 -5.180 7.593 1.00 0.00 C ATOM 1388 C LEU A 89 140.930 -4.544 8.877 1.00 0.00 C ATOM 1389 O LEU A 89 139.904 -3.894 8.806 1.00 0.00 O ATOM 1390 CB LEU A 89 141.410 -4.167 6.440 1.00 0.00 C ATOM 1391 CG LEU A 89 142.028 -2.828 6.865 1.00 0.00 C ATOM 1392 CD1 LEU A 89 143.408 -3.063 7.486 1.00 0.00 C ATOM 1393 CD2 LEU A 89 142.173 -1.929 5.634 1.00 0.00 C ATOM 1394 OXT LEU A 89 141.558 -4.717 9.909 1.00 0.00 O ATOM 0 H LEU A 89 139.841 -6.167 6.620 1.00 0.00 H new ATOM 0 HA LEU A 89 142.500 -5.488 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 89 141.944 -4.562 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 89 140.375 -4.015 6.133 1.00 0.00 H new ATOM 0 HG LEU A 89 141.382 -2.350 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 89 143.840 -2.108 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 89 143.309 -3.706 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 89 144.059 -3.543 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 89 142.612 -0.976 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 89 142.819 -2.415 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 89 141.192 -1.756 5.192 1.00 0.00 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 170.718 -4.781 -2.933 1.00 0.00 N ATOM 1408 CA MET B 1 170.327 -6.037 -3.631 1.00 0.00 C ATOM 1409 C MET B 1 168.958 -6.502 -3.127 1.00 0.00 C ATOM 1410 O MET B 1 167.957 -6.360 -3.801 1.00 0.00 O ATOM 1411 CB MET B 1 171.372 -7.122 -3.352 1.00 0.00 C ATOM 1412 CG MET B 1 172.735 -6.670 -3.884 1.00 0.00 C ATOM 1413 SD MET B 1 172.707 -6.670 -5.697 1.00 0.00 S ATOM 1414 CE MET B 1 172.629 -8.464 -5.955 1.00 0.00 C ATOM 0 H1 MET B 1 171.385 -4.247 -3.527 1.00 0.00 H new ATOM 0 H2 MET B 1 169.871 -4.203 -2.758 1.00 0.00 H new ATOM 0 H3 MET B 1 171.172 -5.014 -2.027 1.00 0.00 H new ATOM 0 HA MET B 1 170.272 -5.853 -4.704 1.00 0.00 H new ATOM 0 HB2 MET B 1 171.434 -7.315 -2.281 1.00 0.00 H new ATOM 0 HB3 MET B 1 171.076 -8.057 -3.828 1.00 0.00 H new ATOM 0 HG2 MET B 1 172.969 -5.672 -3.513 1.00 0.00 H new ATOM 0 HG3 MET B 1 173.518 -7.336 -3.522 1.00 0.00 H new ATOM 0 HE1 MET B 1 173.394 -8.762 -6.672 1.00 0.00 H new ATOM 0 HE2 MET B 1 172.801 -8.976 -5.008 1.00 0.00 H new ATOM 0 HE3 MET B 1 171.646 -8.734 -6.340 1.00 0.00 H new ATOM 1426 N THR B 2 168.905 -7.062 -1.948 1.00 0.00 N ATOM 1427 CA THR B 2 167.599 -7.538 -1.406 1.00 0.00 C ATOM 1428 C THR B 2 166.812 -6.357 -0.832 1.00 0.00 C ATOM 1429 O THR B 2 167.364 -5.318 -0.525 1.00 0.00 O ATOM 1430 CB THR B 2 167.851 -8.565 -0.299 1.00 0.00 C ATOM 1431 OG1 THR B 2 168.435 -7.915 0.821 1.00 0.00 O ATOM 1432 CG2 THR B 2 168.799 -9.651 -0.812 1.00 0.00 C ATOM 0 H THR B 2 169.708 -7.210 -1.337 1.00 0.00 H new ATOM 0 HA THR B 2 167.024 -7.997 -2.210 1.00 0.00 H new ATOM 0 HB THR B 2 166.906 -9.022 -0.005 1.00 0.00 H new ATOM 0 HG1 THR B 2 168.596 -8.570 1.532 1.00 0.00 H new ATOM 0 HG21 THR B 2 168.977 -10.381 -0.022 1.00 0.00 H new ATOM 0 HG22 THR B 2 168.351 -10.149 -1.672 1.00 0.00 H new ATOM 0 HG23 THR B 2 169.745 -9.198 -1.107 1.00 0.00 H new ATOM 1440 N THR B 3 165.525 -6.512 -0.680 1.00 0.00 N ATOM 1441 CA THR B 3 164.694 -5.406 -0.121 1.00 0.00 C ATOM 1442 C THR B 3 164.893 -5.330 1.394 1.00 0.00 C ATOM 1443 O THR B 3 165.365 -6.261 2.016 1.00 0.00 O ATOM 1444 CB THR B 3 163.217 -5.672 -0.419 1.00 0.00 C ATOM 1445 OG1 THR B 3 162.838 -6.914 0.159 1.00 0.00 O ATOM 1446 CG2 THR B 3 162.996 -5.721 -1.932 1.00 0.00 C ATOM 0 H THR B 3 165.011 -7.360 -0.920 1.00 0.00 H new ATOM 0 HA THR B 3 164.997 -4.464 -0.579 1.00 0.00 H new ATOM 0 HB THR B 3 162.611 -4.871 0.005 1.00 0.00 H new ATOM 0 HG1 THR B 3 161.892 -7.087 -0.028 1.00 0.00 H new ATOM 0 HG21 THR B 3 161.943 -5.911 -2.140 1.00 0.00 H new ATOM 0 HG22 THR B 3 163.287 -4.768 -2.373 1.00 0.00 H new ATOM 0 HG23 THR B 3 163.600 -6.520 -2.362 1.00 0.00 H new ATOM 1454 N SER B 4 164.531 -4.228 1.991 1.00 0.00 N ATOM 1455 CA SER B 4 164.693 -4.090 3.466 1.00 0.00 C ATOM 1456 C SER B 4 163.796 -5.114 4.162 1.00 0.00 C ATOM 1457 O SER B 4 162.769 -5.512 3.650 1.00 0.00 O ATOM 1458 CB SER B 4 164.280 -2.681 3.892 1.00 0.00 C ATOM 1459 OG SER B 4 164.495 -2.531 5.290 1.00 0.00 O ATOM 0 H SER B 4 164.130 -3.417 1.521 1.00 0.00 H new ATOM 0 HA SER B 4 165.733 -4.262 3.742 1.00 0.00 H new ATOM 0 HB2 SER B 4 164.858 -1.938 3.342 1.00 0.00 H new ATOM 0 HB3 SER B 4 163.230 -2.509 3.653 1.00 0.00 H new ATOM 0 HG SER B 4 164.233 -1.628 5.566 1.00 0.00 H new ATOM 1465 N GLN B 5 164.195 -5.553 5.323 1.00 0.00 N ATOM 1466 CA GLN B 5 163.396 -6.566 6.063 1.00 0.00 C ATOM 1467 C GLN B 5 161.989 -6.038 6.342 1.00 0.00 C ATOM 1468 O GLN B 5 161.078 -6.796 6.607 1.00 0.00 O ATOM 1469 CB GLN B 5 164.096 -6.904 7.383 1.00 0.00 C ATOM 1470 CG GLN B 5 164.256 -5.637 8.226 1.00 0.00 C ATOM 1471 CD GLN B 5 164.955 -5.987 9.539 1.00 0.00 C ATOM 1472 OE1 GLN B 5 166.150 -6.213 9.565 1.00 0.00 O ATOM 1473 NE2 GLN B 5 164.256 -6.047 10.639 1.00 0.00 N ATOM 0 H GLN B 5 165.048 -5.250 5.794 1.00 0.00 H new ATOM 0 HA GLN B 5 163.314 -7.465 5.453 1.00 0.00 H new ATOM 0 HB2 GLN B 5 163.517 -7.646 7.932 1.00 0.00 H new ATOM 0 HB3 GLN B 5 165.073 -7.345 7.184 1.00 0.00 H new ATOM 0 HG2 GLN B 5 164.836 -4.894 7.679 1.00 0.00 H new ATOM 0 HG3 GLN B 5 163.280 -5.195 8.427 1.00 0.00 H new ATOM 0 HE21 GLN B 5 163.254 -5.858 10.617 1.00 0.00 H new ATOM 0 HE22 GLN B 5 164.712 -6.283 11.520 1.00 0.00 H new ATOM 1482 N LYS B 6 161.793 -4.745 6.282 1.00 0.00 N ATOM 1483 CA LYS B 6 160.439 -4.184 6.540 1.00 0.00 C ATOM 1484 C LYS B 6 159.478 -4.653 5.449 1.00 0.00 C ATOM 1485 O LYS B 6 158.317 -4.912 5.701 1.00 0.00 O ATOM 1486 CB LYS B 6 160.498 -2.658 6.520 1.00 0.00 C ATOM 1487 CG LYS B 6 161.258 -2.158 7.748 1.00 0.00 C ATOM 1488 CD LYS B 6 161.314 -0.630 7.721 1.00 0.00 C ATOM 1489 CE LYS B 6 162.073 -0.122 8.947 1.00 0.00 C ATOM 1490 NZ LYS B 6 162.086 1.368 8.938 1.00 0.00 N ATOM 0 H LYS B 6 162.514 -4.057 6.065 1.00 0.00 H new ATOM 0 HA LYS B 6 160.093 -4.525 7.516 1.00 0.00 H new ATOM 0 HB2 LYS B 6 160.991 -2.315 5.610 1.00 0.00 H new ATOM 0 HB3 LYS B 6 159.489 -2.245 6.511 1.00 0.00 H new ATOM 0 HG2 LYS B 6 160.765 -2.499 8.658 1.00 0.00 H new ATOM 0 HG3 LYS B 6 162.267 -2.570 7.758 1.00 0.00 H new ATOM 0 HD2 LYS B 6 161.806 -0.290 6.810 1.00 0.00 H new ATOM 0 HD3 LYS B 6 160.304 -0.219 7.710 1.00 0.00 H new ATOM 0 HE2 LYS B 6 161.600 -0.487 9.859 1.00 0.00 H new ATOM 0 HE3 LYS B 6 163.093 -0.506 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 162.602 1.716 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 162.556 1.706 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 161.109 1.724 8.962 1.00 0.00 H new ATOM 1504 N HIS B 7 159.941 -4.743 4.235 1.00 0.00 N ATOM 1505 CA HIS B 7 159.041 -5.168 3.129 1.00 0.00 C ATOM 1506 C HIS B 7 158.469 -6.555 3.411 1.00 0.00 C ATOM 1507 O HIS B 7 157.276 -6.772 3.332 1.00 0.00 O ATOM 1508 CB HIS B 7 159.840 -5.209 1.822 1.00 0.00 C ATOM 1509 CG HIS B 7 158.989 -5.783 0.720 1.00 0.00 C ATOM 1510 ND1 HIS B 7 158.097 -5.011 -0.010 1.00 0.00 N ATOM 1511 CD2 HIS B 7 158.881 -7.057 0.218 1.00 0.00 C ATOM 1512 CE1 HIS B 7 157.497 -5.820 -0.903 1.00 0.00 C ATOM 1513 NE2 HIS B 7 157.941 -7.074 -0.803 1.00 0.00 N ATOM 0 H HIS B 7 160.902 -4.541 3.961 1.00 0.00 H new ATOM 0 HA HIS B 7 158.219 -4.457 3.047 1.00 0.00 H new ATOM 0 HB2 HIS B 7 160.168 -4.205 1.554 1.00 0.00 H new ATOM 0 HB3 HIS B 7 160.738 -5.813 1.953 1.00 0.00 H new ATOM 0 HD2 HIS B 7 159.441 -7.913 0.564 1.00 0.00 H new ATOM 0 HE1 HIS B 7 156.750 -5.495 -1.612 1.00 0.00 H new ATOM 0 HE2 HIS B 7 157.650 -7.877 -1.360 1.00 0.00 H new ATOM 1521 N ARG B 8 159.309 -7.498 3.734 1.00 0.00 N ATOM 1522 CA ARG B 8 158.818 -8.870 4.015 1.00 0.00 C ATOM 1523 C ARG B 8 158.041 -8.883 5.330 1.00 0.00 C ATOM 1524 O ARG B 8 157.117 -9.650 5.512 1.00 0.00 O ATOM 1525 CB ARG B 8 160.011 -9.825 4.110 1.00 0.00 C ATOM 1526 CG ARG B 8 160.644 -9.983 2.724 1.00 0.00 C ATOM 1527 CD ARG B 8 161.674 -11.114 2.752 1.00 0.00 C ATOM 1528 NE ARG B 8 162.665 -10.887 3.855 1.00 0.00 N ATOM 1529 CZ ARG B 8 163.419 -9.821 3.901 1.00 0.00 C ATOM 1530 NH1 ARG B 8 163.431 -8.970 2.911 1.00 0.00 N ATOM 1531 NH2 ARG B 8 164.204 -9.630 4.927 1.00 0.00 N ATOM 0 H ARG B 8 160.318 -7.374 3.815 1.00 0.00 H new ATOM 0 HA ARG B 8 158.158 -9.191 3.209 1.00 0.00 H new ATOM 0 HB2 ARG B 8 160.746 -9.438 4.816 1.00 0.00 H new ATOM 0 HB3 ARG B 8 159.686 -10.795 4.487 1.00 0.00 H new ATOM 0 HG2 ARG B 8 159.873 -10.199 1.984 1.00 0.00 H new ATOM 0 HG3 ARG B 8 161.122 -9.051 2.424 1.00 0.00 H new ATOM 0 HD2 ARG B 8 161.171 -12.070 2.897 1.00 0.00 H new ATOM 0 HD3 ARG B 8 162.191 -11.168 1.794 1.00 0.00 H new ATOM 0 HE ARG B 8 162.753 -11.587 4.592 1.00 0.00 H new ATOM 0 HH11 ARG B 8 162.848 -9.134 2.090 1.00 0.00 H new ATOM 0 HH12 ARG B 8 164.024 -8.141 2.958 1.00 0.00 H new ATOM 0 HH21 ARG B 8 164.226 -10.311 5.686 1.00 0.00 H new ATOM 0 HH22 ARG B 8 164.795 -8.800 4.969 1.00 0.00 H new ATOM 1545 N ASP B 9 158.411 -8.038 6.247 1.00 0.00 N ATOM 1546 CA ASP B 9 157.700 -7.997 7.550 1.00 0.00 C ATOM 1547 C ASP B 9 156.328 -7.339 7.383 1.00 0.00 C ATOM 1548 O ASP B 9 155.360 -7.749 7.980 1.00 0.00 O ATOM 1549 CB ASP B 9 158.524 -7.210 8.565 1.00 0.00 C ATOM 1550 CG ASP B 9 159.773 -8.010 8.936 1.00 0.00 C ATOM 1551 OD1 ASP B 9 159.767 -9.212 8.722 1.00 0.00 O ATOM 1552 OD2 ASP B 9 160.715 -7.409 9.427 1.00 0.00 O ATOM 0 H ASP B 9 159.178 -7.372 6.150 1.00 0.00 H new ATOM 0 HA ASP B 9 157.564 -9.018 7.907 1.00 0.00 H new ATOM 0 HB2 ASP B 9 158.808 -6.244 8.148 1.00 0.00 H new ATOM 0 HB3 ASP B 9 157.929 -7.010 9.456 1.00 0.00 H new ATOM 1557 N PHE B 10 156.241 -6.305 6.586 1.00 0.00 N ATOM 1558 CA PHE B 10 154.929 -5.616 6.412 1.00 0.00 C ATOM 1559 C PHE B 10 153.940 -6.547 5.709 1.00 0.00 C ATOM 1560 O PHE B 10 152.776 -6.598 6.052 1.00 0.00 O ATOM 1561 CB PHE B 10 155.122 -4.340 5.585 1.00 0.00 C ATOM 1562 CG PHE B 10 153.825 -3.564 5.535 1.00 0.00 C ATOM 1563 CD1 PHE B 10 153.536 -2.622 6.530 1.00 0.00 C ATOM 1564 CD2 PHE B 10 152.914 -3.781 4.493 1.00 0.00 C ATOM 1565 CE1 PHE B 10 152.337 -1.898 6.485 1.00 0.00 C ATOM 1566 CE2 PHE B 10 151.715 -3.058 4.447 1.00 0.00 C ATOM 1567 CZ PHE B 10 151.426 -2.117 5.444 1.00 0.00 C ATOM 0 H PHE B 10 157.016 -5.911 6.052 1.00 0.00 H new ATOM 0 HA PHE B 10 154.531 -5.352 7.392 1.00 0.00 H new ATOM 0 HB2 PHE B 10 155.908 -3.726 6.024 1.00 0.00 H new ATOM 0 HB3 PHE B 10 155.444 -4.595 4.575 1.00 0.00 H new ATOM 0 HD1 PHE B 10 154.238 -2.453 7.333 1.00 0.00 H new ATOM 0 HD2 PHE B 10 153.136 -4.506 3.724 1.00 0.00 H new ATOM 0 HE1 PHE B 10 152.116 -1.171 7.253 1.00 0.00 H new ATOM 0 HE2 PHE B 10 151.014 -3.226 3.643 1.00 0.00 H new ATOM 0 HZ PHE B 10 150.501 -1.561 5.410 1.00 0.00 H new ATOM 1577 N VAL B 11 154.386 -7.290 4.732 1.00 0.00 N ATOM 1578 CA VAL B 11 153.459 -8.220 4.021 1.00 0.00 C ATOM 1579 C VAL B 11 153.350 -9.529 4.808 1.00 0.00 C ATOM 1580 O VAL B 11 152.947 -10.546 4.279 1.00 0.00 O ATOM 1581 CB VAL B 11 153.994 -8.510 2.616 1.00 0.00 C ATOM 1582 CG1 VAL B 11 154.175 -7.193 1.855 1.00 0.00 C ATOM 1583 CG2 VAL B 11 155.340 -9.236 2.723 1.00 0.00 C ATOM 0 H VAL B 11 155.349 -7.294 4.396 1.00 0.00 H new ATOM 0 HA VAL B 11 152.475 -7.759 3.942 1.00 0.00 H new ATOM 0 HB VAL B 11 153.286 -9.140 2.079 1.00 0.00 H new ATOM 0 HG11 VAL B 11 154.556 -7.400 0.855 1.00 0.00 H new ATOM 0 HG12 VAL B 11 153.215 -6.682 1.779 1.00 0.00 H new ATOM 0 HG13 VAL B 11 154.883 -6.559 2.389 1.00 0.00 H new ATOM 0 HG21 VAL B 11 155.722 -9.443 1.723 1.00 0.00 H new ATOM 0 HG22 VAL B 11 156.051 -8.608 3.260 1.00 0.00 H new ATOM 0 HG23 VAL B 11 155.206 -10.174 3.262 1.00 0.00 H new ATOM 1593 N ALA B 12 153.727 -9.513 6.069 1.00 0.00 N ATOM 1594 CA ALA B 12 153.669 -10.757 6.905 1.00 0.00 C ATOM 1595 C ALA B 12 152.741 -10.552 8.107 1.00 0.00 C ATOM 1596 O ALA B 12 152.455 -11.480 8.837 1.00 0.00 O ATOM 1597 CB ALA B 12 155.073 -11.083 7.417 1.00 0.00 C ATOM 0 H ALA B 12 154.074 -8.686 6.556 1.00 0.00 H new ATOM 0 HA ALA B 12 153.287 -11.574 6.293 1.00 0.00 H new ATOM 0 HB1 ALA B 12 155.038 -11.987 8.026 1.00 0.00 H new ATOM 0 HB2 ALA B 12 155.741 -11.242 6.571 1.00 0.00 H new ATOM 0 HB3 ALA B 12 155.442 -10.253 8.020 1.00 0.00 H new ATOM 1603 N GLU B 13 152.262 -9.354 8.327 1.00 0.00 N ATOM 1604 CA GLU B 13 151.349 -9.124 9.491 1.00 0.00 C ATOM 1605 C GLU B 13 150.396 -7.956 9.185 1.00 0.00 C ATOM 1606 O GLU B 13 150.730 -7.074 8.421 1.00 0.00 O ATOM 1607 CB GLU B 13 152.186 -8.788 10.729 1.00 0.00 C ATOM 1608 CG GLU B 13 153.224 -7.725 10.373 1.00 0.00 C ATOM 1609 CD GLU B 13 153.791 -7.110 11.653 1.00 0.00 C ATOM 1610 OE1 GLU B 13 154.270 -7.864 12.486 1.00 0.00 O ATOM 1611 OE2 GLU B 13 153.739 -5.898 11.780 1.00 0.00 O ATOM 0 H GLU B 13 152.460 -8.531 7.758 1.00 0.00 H new ATOM 0 HA GLU B 13 150.763 -10.025 9.675 1.00 0.00 H new ATOM 0 HB2 GLU B 13 151.541 -8.427 11.530 1.00 0.00 H new ATOM 0 HB3 GLU B 13 152.682 -9.685 11.100 1.00 0.00 H new ATOM 0 HG2 GLU B 13 154.027 -8.169 9.785 1.00 0.00 H new ATOM 0 HG3 GLU B 13 152.769 -6.950 9.756 1.00 0.00 H new ATOM 1618 N PRO B 14 149.223 -7.927 9.789 1.00 0.00 N ATOM 1619 CA PRO B 14 148.249 -6.817 9.568 1.00 0.00 C ATOM 1620 C PRO B 14 148.932 -5.442 9.623 1.00 0.00 C ATOM 1621 O PRO B 14 149.995 -5.294 10.191 1.00 0.00 O ATOM 1622 CB PRO B 14 147.253 -6.969 10.727 1.00 0.00 C ATOM 1623 CG PRO B 14 147.284 -8.423 11.085 1.00 0.00 C ATOM 1624 CD PRO B 14 148.690 -8.936 10.732 1.00 0.00 C ATOM 0 HA PRO B 14 147.780 -6.872 8.586 1.00 0.00 H new ATOM 0 HB2 PRO B 14 147.540 -6.348 11.576 1.00 0.00 H new ATOM 0 HB3 PRO B 14 146.252 -6.658 10.429 1.00 0.00 H new ATOM 0 HG2 PRO B 14 147.075 -8.565 12.145 1.00 0.00 H new ATOM 0 HG3 PRO B 14 146.522 -8.973 10.534 1.00 0.00 H new ATOM 0 HD2 PRO B 14 149.317 -9.021 11.620 1.00 0.00 H new ATOM 0 HD3 PRO B 14 148.649 -9.925 10.275 1.00 0.00 H new ATOM 1632 N MET B 15 148.330 -4.434 9.049 1.00 0.00 N ATOM 1633 CA MET B 15 148.954 -3.077 9.086 1.00 0.00 C ATOM 1634 C MET B 15 148.497 -2.351 10.354 1.00 0.00 C ATOM 1635 O MET B 15 149.128 -1.419 10.812 1.00 0.00 O ATOM 1636 CB MET B 15 148.527 -2.275 7.851 1.00 0.00 C ATOM 1637 CG MET B 15 147.019 -2.420 7.636 1.00 0.00 C ATOM 1638 SD MET B 15 146.443 -1.123 6.511 1.00 0.00 S ATOM 1639 CE MET B 15 146.764 -1.992 4.956 1.00 0.00 C ATOM 0 H MET B 15 147.438 -4.490 8.558 1.00 0.00 H new ATOM 0 HA MET B 15 150.040 -3.174 9.088 1.00 0.00 H new ATOM 0 HB2 MET B 15 148.786 -1.224 7.981 1.00 0.00 H new ATOM 0 HB3 MET B 15 149.065 -2.630 6.972 1.00 0.00 H new ATOM 0 HG2 MET B 15 146.793 -3.403 7.222 1.00 0.00 H new ATOM 0 HG3 MET B 15 146.496 -2.348 8.590 1.00 0.00 H new ATOM 0 HE1 MET B 15 147.013 -1.269 4.180 1.00 0.00 H new ATOM 0 HE2 MET B 15 147.597 -2.682 5.090 1.00 0.00 H new ATOM 0 HE3 MET B 15 145.875 -2.550 4.661 1.00 0.00 H new ATOM 1649 N GLY B 16 147.406 -2.781 10.929 1.00 0.00 N ATOM 1650 CA GLY B 16 146.904 -2.133 12.175 1.00 0.00 C ATOM 1651 C GLY B 16 146.852 -0.616 11.994 1.00 0.00 C ATOM 1652 O GLY B 16 146.466 -0.114 10.956 1.00 0.00 O ATOM 0 H GLY B 16 146.838 -3.557 10.588 1.00 0.00 H new ATOM 0 HA2 GLY B 16 145.911 -2.512 12.417 1.00 0.00 H new ATOM 0 HA3 GLY B 16 147.554 -2.385 13.013 1.00 0.00 H new ATOM 1656 N GLU B 17 147.218 0.118 13.015 1.00 0.00 N ATOM 1657 CA GLU B 17 147.172 1.612 12.945 1.00 0.00 C ATOM 1658 C GLU B 17 148.586 2.176 12.793 1.00 0.00 C ATOM 1659 O GLU B 17 148.872 3.273 13.231 1.00 0.00 O ATOM 1660 CB GLU B 17 146.550 2.143 14.238 1.00 0.00 C ATOM 1661 CG GLU B 17 145.070 1.758 14.285 1.00 0.00 C ATOM 1662 CD GLU B 17 144.450 2.259 15.590 1.00 0.00 C ATOM 1663 OE1 GLU B 17 144.511 1.532 16.568 1.00 0.00 O ATOM 1664 OE2 GLU B 17 143.923 3.359 15.589 1.00 0.00 O ATOM 0 H GLU B 17 147.550 -0.258 13.903 1.00 0.00 H new ATOM 0 HA GLU B 17 146.577 1.919 12.085 1.00 0.00 H new ATOM 0 HB2 GLU B 17 147.072 1.731 15.102 1.00 0.00 H new ATOM 0 HB3 GLU B 17 146.657 3.227 14.288 1.00 0.00 H new ATOM 0 HG2 GLU B 17 144.545 2.189 13.432 1.00 0.00 H new ATOM 0 HG3 GLU B 17 144.963 0.676 14.212 1.00 0.00 H new ATOM 1671 N LYS B 18 149.477 1.443 12.180 1.00 0.00 N ATOM 1672 CA LYS B 18 150.866 1.953 12.013 1.00 0.00 C ATOM 1673 C LYS B 18 150.823 3.248 11.184 1.00 0.00 C ATOM 1674 O LYS B 18 149.949 3.424 10.358 1.00 0.00 O ATOM 1675 CB LYS B 18 151.706 0.898 11.280 1.00 0.00 C ATOM 1676 CG LYS B 18 151.997 -0.295 12.211 1.00 0.00 C ATOM 1677 CD LYS B 18 153.249 -0.015 13.055 1.00 0.00 C ATOM 1678 CE LYS B 18 153.587 -1.252 13.890 1.00 0.00 C ATOM 1679 NZ LYS B 18 153.959 -2.376 12.985 1.00 0.00 N ATOM 0 H LYS B 18 149.303 0.517 11.790 1.00 0.00 H new ATOM 0 HA LYS B 18 151.311 2.155 12.987 1.00 0.00 H new ATOM 0 HB2 LYS B 18 151.176 0.554 10.392 1.00 0.00 H new ATOM 0 HB3 LYS B 18 152.643 1.340 10.941 1.00 0.00 H new ATOM 0 HG2 LYS B 18 151.142 -0.474 12.863 1.00 0.00 H new ATOM 0 HG3 LYS B 18 152.142 -1.200 11.621 1.00 0.00 H new ATOM 0 HD2 LYS B 18 154.088 0.240 12.407 1.00 0.00 H new ATOM 0 HD3 LYS B 18 153.077 0.841 13.707 1.00 0.00 H new ATOM 0 HE2 LYS B 18 154.410 -1.031 14.570 1.00 0.00 H new ATOM 0 HE3 LYS B 18 152.732 -1.534 14.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 154.558 -3.052 13.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 153.097 -2.857 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 154.482 -2.004 12.166 1.00 0.00 H new ATOM 1693 N PRO B 19 151.742 4.160 11.414 1.00 0.00 N ATOM 1694 CA PRO B 19 151.780 5.466 10.683 1.00 0.00 C ATOM 1695 C PRO B 19 152.112 5.305 9.192 1.00 0.00 C ATOM 1696 O PRO B 19 152.664 4.311 8.766 1.00 0.00 O ATOM 1697 CB PRO B 19 152.876 6.262 11.415 1.00 0.00 C ATOM 1698 CG PRO B 19 153.759 5.224 12.029 1.00 0.00 C ATOM 1699 CD PRO B 19 152.845 4.053 12.388 1.00 0.00 C ATOM 0 HA PRO B 19 150.809 5.961 10.691 1.00 0.00 H new ATOM 0 HB2 PRO B 19 153.432 6.896 10.724 1.00 0.00 H new ATOM 0 HB3 PRO B 19 152.449 6.917 12.174 1.00 0.00 H new ATOM 0 HG2 PRO B 19 154.537 4.912 11.333 1.00 0.00 H new ATOM 0 HG3 PRO B 19 154.261 5.613 12.915 1.00 0.00 H new ATOM 0 HD2 PRO B 19 153.364 3.099 12.302 1.00 0.00 H new ATOM 0 HD3 PRO B 19 152.483 4.127 13.413 1.00 0.00 H new ATOM 1707 N VAL B 20 151.754 6.284 8.402 1.00 0.00 N ATOM 1708 CA VAL B 20 152.012 6.216 6.933 1.00 0.00 C ATOM 1709 C VAL B 20 153.500 5.974 6.645 1.00 0.00 C ATOM 1710 O VAL B 20 153.857 5.204 5.776 1.00 0.00 O ATOM 1711 CB VAL B 20 151.562 7.530 6.279 1.00 0.00 C ATOM 1712 CG1 VAL B 20 152.233 8.722 6.970 1.00 0.00 C ATOM 1713 CG2 VAL B 20 151.945 7.524 4.795 1.00 0.00 C ATOM 0 H VAL B 20 151.289 7.136 8.716 1.00 0.00 H new ATOM 0 HA VAL B 20 151.447 5.382 6.518 1.00 0.00 H new ATOM 0 HB VAL B 20 150.480 7.620 6.380 1.00 0.00 H new ATOM 0 HG11 VAL B 20 151.906 9.648 6.497 1.00 0.00 H new ATOM 0 HG12 VAL B 20 151.955 8.735 8.024 1.00 0.00 H new ATOM 0 HG13 VAL B 20 153.316 8.632 6.881 1.00 0.00 H new ATOM 0 HG21 VAL B 20 151.625 8.458 4.333 1.00 0.00 H new ATOM 0 HG22 VAL B 20 153.026 7.424 4.699 1.00 0.00 H new ATOM 0 HG23 VAL B 20 151.457 6.686 4.297 1.00 0.00 H new ATOM 1723 N GLY B 21 154.373 6.648 7.351 1.00 0.00 N ATOM 1724 CA GLY B 21 155.835 6.483 7.104 1.00 0.00 C ATOM 1725 C GLY B 21 156.264 5.035 7.355 1.00 0.00 C ATOM 1726 O GLY B 21 157.410 4.681 7.156 1.00 0.00 O ATOM 0 H GLY B 21 154.133 7.308 8.091 1.00 0.00 H new ATOM 0 HA2 GLY B 21 156.070 6.765 6.078 1.00 0.00 H new ATOM 0 HA3 GLY B 21 156.397 7.153 7.755 1.00 0.00 H new ATOM 1730 N SER B 22 155.368 4.187 7.787 1.00 0.00 N ATOM 1731 CA SER B 22 155.750 2.767 8.037 1.00 0.00 C ATOM 1732 C SER B 22 155.718 1.992 6.718 1.00 0.00 C ATOM 1733 O SER B 22 156.368 0.976 6.567 1.00 0.00 O ATOM 1734 CB SER B 22 154.759 2.137 9.016 1.00 0.00 C ATOM 1735 OG SER B 22 155.150 0.796 9.283 1.00 0.00 O ATOM 0 H SER B 22 154.392 4.415 7.977 1.00 0.00 H new ATOM 0 HA SER B 22 156.754 2.731 8.459 1.00 0.00 H new ATOM 0 HB2 SER B 22 154.731 2.711 9.942 1.00 0.00 H new ATOM 0 HB3 SER B 22 153.753 2.158 8.597 1.00 0.00 H new ATOM 0 HG SER B 22 154.517 0.390 9.912 1.00 0.00 H new ATOM 1741 N LEU B 23 154.963 2.462 5.763 1.00 0.00 N ATOM 1742 CA LEU B 23 154.885 1.751 4.456 1.00 0.00 C ATOM 1743 C LEU B 23 156.260 1.761 3.788 1.00 0.00 C ATOM 1744 O LEU B 23 156.970 2.747 3.804 1.00 0.00 O ATOM 1745 CB LEU B 23 153.866 2.457 3.556 1.00 0.00 C ATOM 1746 CG LEU B 23 152.451 2.292 4.131 1.00 0.00 C ATOM 1747 CD1 LEU B 23 151.494 3.225 3.382 1.00 0.00 C ATOM 1748 CD2 LEU B 23 151.970 0.833 3.977 1.00 0.00 C ATOM 0 H LEU B 23 154.397 3.308 5.832 1.00 0.00 H new ATOM 0 HA LEU B 23 154.572 0.719 4.617 1.00 0.00 H new ATOM 0 HB2 LEU B 23 154.113 3.516 3.475 1.00 0.00 H new ATOM 0 HB3 LEU B 23 153.909 2.041 2.549 1.00 0.00 H new ATOM 0 HG LEU B 23 152.468 2.544 5.191 1.00 0.00 H new ATOM 0 HD11 LEU B 23 150.487 3.113 3.785 1.00 0.00 H new ATOM 0 HD12 LEU B 23 151.822 4.257 3.505 1.00 0.00 H new ATOM 0 HD13 LEU B 23 151.491 2.969 2.322 1.00 0.00 H new ATOM 0 HD21 LEU B 23 150.966 0.735 4.390 1.00 0.00 H new ATOM 0 HD22 LEU B 23 151.956 0.564 2.921 1.00 0.00 H new ATOM 0 HD23 LEU B 23 152.648 0.168 4.512 1.00 0.00 H new ATOM 1760 N ALA B 24 156.632 0.661 3.203 1.00 0.00 N ATOM 1761 CA ALA B 24 157.959 0.588 2.532 1.00 0.00 C ATOM 1762 C ALA B 24 157.993 1.549 1.339 1.00 0.00 C ATOM 1763 O ALA B 24 157.059 1.641 0.568 1.00 0.00 O ATOM 1764 CB ALA B 24 158.212 -0.841 2.049 1.00 0.00 C ATOM 0 H ALA B 24 156.075 -0.193 3.159 1.00 0.00 H new ATOM 0 HA ALA B 24 158.735 0.873 3.242 1.00 0.00 H new ATOM 0 HB1 ALA B 24 159.184 -0.892 1.558 1.00 0.00 H new ATOM 0 HB2 ALA B 24 158.199 -1.521 2.901 1.00 0.00 H new ATOM 0 HB3 ALA B 24 157.433 -1.130 1.343 1.00 0.00 H new ATOM 1770 N GLY B 25 159.075 2.269 1.199 1.00 0.00 N ATOM 1771 CA GLY B 25 159.207 3.245 0.069 1.00 0.00 C ATOM 1772 C GLY B 25 158.957 4.663 0.589 1.00 0.00 C ATOM 1773 O GLY B 25 159.351 5.637 -0.023 1.00 0.00 O ATOM 0 H GLY B 25 159.881 2.225 1.822 1.00 0.00 H new ATOM 0 HA2 GLY B 25 160.202 3.177 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY B 25 158.494 3.004 -0.719 1.00 0.00 H new ATOM 1777 N ILE B 26 158.316 4.789 1.723 1.00 0.00 N ATOM 1778 CA ILE B 26 158.048 6.145 2.301 1.00 0.00 C ATOM 1779 C ILE B 26 159.091 6.422 3.385 1.00 0.00 C ATOM 1780 O ILE B 26 159.195 5.689 4.349 1.00 0.00 O ATOM 1781 CB ILE B 26 156.651 6.166 2.930 1.00 0.00 C ATOM 1782 CG1 ILE B 26 155.601 5.738 1.892 1.00 0.00 C ATOM 1783 CG2 ILE B 26 156.330 7.576 3.435 1.00 0.00 C ATOM 1784 CD1 ILE B 26 155.703 6.600 0.628 1.00 0.00 C ATOM 0 H ILE B 26 157.964 4.008 2.277 1.00 0.00 H new ATOM 0 HA ILE B 26 158.102 6.902 1.519 1.00 0.00 H new ATOM 0 HB ILE B 26 156.630 5.469 3.768 1.00 0.00 H new ATOM 0 HG12 ILE B 26 155.744 4.689 1.635 1.00 0.00 H new ATOM 0 HG13 ILE B 26 154.602 5.828 2.320 1.00 0.00 H new ATOM 0 HG21 ILE B 26 155.336 7.585 3.881 1.00 0.00 H new ATOM 0 HG22 ILE B 26 157.066 7.871 4.183 1.00 0.00 H new ATOM 0 HG23 ILE B 26 156.360 8.277 2.601 1.00 0.00 H new ATOM 0 HD11 ILE B 26 154.951 6.279 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE B 26 155.536 7.646 0.886 1.00 0.00 H new ATOM 0 HD13 ILE B 26 156.695 6.488 0.191 1.00 0.00 H new ATOM 1796 N GLY B 27 159.868 7.468 3.253 1.00 0.00 N ATOM 1797 CA GLY B 27 160.893 7.779 4.294 1.00 0.00 C ATOM 1798 C GLY B 27 160.307 8.765 5.310 1.00 0.00 C ATOM 1799 O GLY B 27 159.194 9.229 5.165 1.00 0.00 O ATOM 0 H GLY B 27 159.836 8.120 2.469 1.00 0.00 H new ATOM 0 HA2 GLY B 27 161.205 6.864 4.797 1.00 0.00 H new ATOM 0 HA3 GLY B 27 161.782 8.205 3.829 1.00 0.00 H new ATOM 1803 N GLU B 28 161.041 9.075 6.345 1.00 0.00 N ATOM 1804 CA GLU B 28 160.511 10.021 7.371 1.00 0.00 C ATOM 1805 C GLU B 28 160.166 11.365 6.725 1.00 0.00 C ATOM 1806 O GLU B 28 159.169 11.978 7.051 1.00 0.00 O ATOM 1807 CB GLU B 28 161.563 10.236 8.463 1.00 0.00 C ATOM 1808 CG GLU B 28 161.710 8.961 9.299 1.00 0.00 C ATOM 1809 CD GLU B 28 162.789 9.170 10.362 1.00 0.00 C ATOM 1810 OE1 GLU B 28 163.445 10.197 10.318 1.00 0.00 O ATOM 1811 OE2 GLU B 28 162.946 8.297 11.199 1.00 0.00 O ATOM 0 H GLU B 28 161.979 8.717 6.524 1.00 0.00 H new ATOM 0 HA GLU B 28 159.608 9.596 7.809 1.00 0.00 H new ATOM 0 HB2 GLU B 28 162.520 10.499 8.012 1.00 0.00 H new ATOM 0 HB3 GLU B 28 161.272 11.070 9.102 1.00 0.00 H new ATOM 0 HG2 GLU B 28 160.760 8.713 9.773 1.00 0.00 H new ATOM 0 HG3 GLU B 28 161.975 8.121 8.657 1.00 0.00 H new ATOM 1818 N VAL B 29 160.976 11.836 5.816 1.00 0.00 N ATOM 1819 CA VAL B 29 160.674 13.145 5.167 1.00 0.00 C ATOM 1820 C VAL B 29 159.419 13.012 4.302 1.00 0.00 C ATOM 1821 O VAL B 29 158.530 13.839 4.349 1.00 0.00 O ATOM 1822 CB VAL B 29 161.866 13.573 4.305 1.00 0.00 C ATOM 1823 CG1 VAL B 29 161.482 14.778 3.442 1.00 0.00 C ATOM 1824 CG2 VAL B 29 163.034 13.956 5.216 1.00 0.00 C ATOM 0 H VAL B 29 161.828 11.375 5.496 1.00 0.00 H new ATOM 0 HA VAL B 29 160.497 13.901 5.932 1.00 0.00 H new ATOM 0 HB VAL B 29 162.156 12.746 3.657 1.00 0.00 H new ATOM 0 HG11 VAL B 29 162.335 15.076 2.832 1.00 0.00 H new ATOM 0 HG12 VAL B 29 160.648 14.510 2.793 1.00 0.00 H new ATOM 0 HG13 VAL B 29 161.189 15.608 4.085 1.00 0.00 H new ATOM 0 HG21 VAL B 29 163.885 14.261 4.607 1.00 0.00 H new ATOM 0 HG22 VAL B 29 162.736 14.781 5.863 1.00 0.00 H new ATOM 0 HG23 VAL B 29 163.315 13.099 5.828 1.00 0.00 H new ATOM 1834 N LEU B 30 159.341 11.980 3.508 1.00 0.00 N ATOM 1835 CA LEU B 30 158.150 11.795 2.633 1.00 0.00 C ATOM 1836 C LEU B 30 156.925 11.504 3.496 1.00 0.00 C ATOM 1837 O LEU B 30 155.831 11.952 3.215 1.00 0.00 O ATOM 1838 CB LEU B 30 158.391 10.622 1.677 1.00 0.00 C ATOM 1839 CG LEU B 30 159.610 10.908 0.790 1.00 0.00 C ATOM 1840 CD1 LEU B 30 159.933 9.659 -0.035 1.00 0.00 C ATOM 1841 CD2 LEU B 30 159.319 12.087 -0.157 1.00 0.00 C ATOM 0 H LEU B 30 160.054 11.255 3.428 1.00 0.00 H new ATOM 0 HA LEU B 30 157.981 12.704 2.055 1.00 0.00 H new ATOM 0 HB2 LEU B 30 158.552 9.706 2.246 1.00 0.00 H new ATOM 0 HB3 LEU B 30 157.509 10.461 1.056 1.00 0.00 H new ATOM 0 HG LEU B 30 160.459 11.168 1.423 1.00 0.00 H new ATOM 0 HD11 LEU B 30 160.798 9.855 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU B 30 160.154 8.828 0.635 1.00 0.00 H new ATOM 0 HD13 LEU B 30 159.077 9.404 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU B 30 160.193 12.278 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU B 30 158.468 11.842 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU B 30 159.090 12.977 0.429 1.00 0.00 H new ATOM 1853 N GLY B 31 157.098 10.754 4.546 1.00 0.00 N ATOM 1854 CA GLY B 31 155.943 10.434 5.426 1.00 0.00 C ATOM 1855 C GLY B 31 155.355 11.730 5.987 1.00 0.00 C ATOM 1856 O GLY B 31 154.156 11.876 6.112 1.00 0.00 O ATOM 0 H GLY B 31 157.989 10.349 4.833 1.00 0.00 H new ATOM 0 HA2 GLY B 31 155.183 9.891 4.864 1.00 0.00 H new ATOM 0 HA3 GLY B 31 156.262 9.784 6.241 1.00 0.00 H new ATOM 1860 N LYS B 32 156.194 12.670 6.334 1.00 0.00 N ATOM 1861 CA LYS B 32 155.687 13.955 6.898 1.00 0.00 C ATOM 1862 C LYS B 32 154.867 14.718 5.851 1.00 0.00 C ATOM 1863 O LYS B 32 153.871 15.334 6.175 1.00 0.00 O ATOM 1864 CB LYS B 32 156.860 14.826 7.347 1.00 0.00 C ATOM 1865 CG LYS B 32 156.323 16.021 8.144 1.00 0.00 C ATOM 1866 CD LYS B 32 157.461 17.001 8.449 1.00 0.00 C ATOM 1867 CE LYS B 32 158.546 16.303 9.273 1.00 0.00 C ATOM 1868 NZ LYS B 32 159.358 17.329 9.987 1.00 0.00 N ATOM 0 H LYS B 32 157.208 12.603 6.251 1.00 0.00 H new ATOM 0 HA LYS B 32 155.050 13.725 7.752 1.00 0.00 H new ATOM 0 HB2 LYS B 32 157.547 14.244 7.960 1.00 0.00 H new ATOM 0 HB3 LYS B 32 157.423 15.174 6.481 1.00 0.00 H new ATOM 0 HG2 LYS B 32 155.540 16.525 7.577 1.00 0.00 H new ATOM 0 HG3 LYS B 32 155.871 15.675 9.074 1.00 0.00 H new ATOM 0 HD2 LYS B 32 157.886 17.379 7.519 1.00 0.00 H new ATOM 0 HD3 LYS B 32 157.075 17.861 8.996 1.00 0.00 H new ATOM 0 HE2 LYS B 32 158.091 15.619 9.990 1.00 0.00 H new ATOM 0 HE3 LYS B 32 159.185 15.705 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 160.096 16.858 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 159.802 17.964 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 158.743 17.881 10.618 1.00 0.00 H new ATOM 1882 N LYS B 33 155.276 14.718 4.609 1.00 0.00 N ATOM 1883 CA LYS B 33 154.504 15.487 3.591 1.00 0.00 C ATOM 1884 C LYS B 33 153.119 14.859 3.415 1.00 0.00 C ATOM 1885 O LYS B 33 152.120 15.547 3.397 1.00 0.00 O ATOM 1886 CB LYS B 33 155.247 15.465 2.251 1.00 0.00 C ATOM 1887 CG LYS B 33 156.557 16.251 2.368 1.00 0.00 C ATOM 1888 CD LYS B 33 157.288 16.220 1.023 1.00 0.00 C ATOM 1889 CE LYS B 33 158.601 17.003 1.126 1.00 0.00 C ATOM 1890 NZ LYS B 33 158.318 18.420 1.492 1.00 0.00 N ATOM 0 H LYS B 33 156.099 14.226 4.260 1.00 0.00 H new ATOM 0 HA LYS B 33 154.397 16.518 3.927 1.00 0.00 H new ATOM 0 HB2 LYS B 33 155.455 14.436 1.958 1.00 0.00 H new ATOM 0 HB3 LYS B 33 154.621 15.899 1.471 1.00 0.00 H new ATOM 0 HG2 LYS B 33 156.352 17.281 2.660 1.00 0.00 H new ATOM 0 HG3 LYS B 33 157.186 15.819 3.147 1.00 0.00 H new ATOM 0 HD2 LYS B 33 157.491 15.189 0.733 1.00 0.00 H new ATOM 0 HD3 LYS B 33 156.657 16.651 0.246 1.00 0.00 H new ATOM 0 HE2 LYS B 33 159.249 16.547 1.875 1.00 0.00 H new ATOM 0 HE3 LYS B 33 159.134 16.963 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 159.152 19.006 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 157.506 18.765 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 158.099 18.479 2.507 1.00 0.00 H new ATOM 1904 N LEU B 34 153.042 13.562 3.305 1.00 0.00 N ATOM 1905 CA LEU B 34 151.709 12.910 3.153 1.00 0.00 C ATOM 1906 C LEU B 34 150.872 13.192 4.410 1.00 0.00 C ATOM 1907 O LEU B 34 149.675 13.394 4.348 1.00 0.00 O ATOM 1908 CB LEU B 34 151.885 11.398 2.960 1.00 0.00 C ATOM 1909 CG LEU B 34 152.515 11.098 1.590 1.00 0.00 C ATOM 1910 CD1 LEU B 34 152.903 9.617 1.536 1.00 0.00 C ATOM 1911 CD2 LEU B 34 151.515 11.403 0.452 1.00 0.00 C ATOM 0 H LEU B 34 153.840 12.927 3.314 1.00 0.00 H new ATOM 0 HA LEU B 34 151.198 13.312 2.278 1.00 0.00 H new ATOM 0 HB2 LEU B 34 152.516 10.996 3.753 1.00 0.00 H new ATOM 0 HB3 LEU B 34 150.918 10.901 3.039 1.00 0.00 H new ATOM 0 HG LEU B 34 153.395 11.727 1.459 1.00 0.00 H new ATOM 0 HD11 LEU B 34 153.351 9.393 0.568 1.00 0.00 H new ATOM 0 HD12 LEU B 34 153.621 9.400 2.327 1.00 0.00 H new ATOM 0 HD13 LEU B 34 152.013 9.003 1.675 1.00 0.00 H new ATOM 0 HD21 LEU B 34 151.980 11.184 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU B 34 150.625 10.785 0.574 1.00 0.00 H new ATOM 0 HD23 LEU B 34 151.233 12.455 0.488 1.00 0.00 H new ATOM 1923 N GLU B 35 151.507 13.199 5.550 1.00 0.00 N ATOM 1924 CA GLU B 35 150.757 13.458 6.820 1.00 0.00 C ATOM 1925 C GLU B 35 150.096 14.837 6.764 1.00 0.00 C ATOM 1926 O GLU B 35 148.969 15.012 7.186 1.00 0.00 O ATOM 1927 CB GLU B 35 151.721 13.394 8.012 1.00 0.00 C ATOM 1928 CG GLU B 35 150.956 13.659 9.313 1.00 0.00 C ATOM 1929 CD GLU B 35 151.899 13.485 10.505 1.00 0.00 C ATOM 1930 OE1 GLU B 35 152.999 12.999 10.300 1.00 0.00 O ATOM 1931 OE2 GLU B 35 151.504 13.838 11.604 1.00 0.00 O ATOM 0 H GLU B 35 152.508 13.038 5.661 1.00 0.00 H new ATOM 0 HA GLU B 35 149.985 12.698 6.939 1.00 0.00 H new ATOM 0 HB2 GLU B 35 152.199 12.415 8.053 1.00 0.00 H new ATOM 0 HB3 GLU B 35 152.515 14.131 7.890 1.00 0.00 H new ATOM 0 HG2 GLU B 35 150.544 14.668 9.306 1.00 0.00 H new ATOM 0 HG3 GLU B 35 150.114 12.972 9.399 1.00 0.00 H new ATOM 1938 N GLU B 36 150.779 15.812 6.241 1.00 0.00 N ATOM 1939 CA GLU B 36 150.186 17.175 6.148 1.00 0.00 C ATOM 1940 C GLU B 36 149.041 17.151 5.134 1.00 0.00 C ATOM 1941 O GLU B 36 148.201 18.028 5.103 1.00 0.00 O ATOM 1942 CB GLU B 36 151.255 18.169 5.689 1.00 0.00 C ATOM 1943 CG GLU B 36 152.279 18.369 6.806 1.00 0.00 C ATOM 1944 CD GLU B 36 153.348 19.363 6.347 1.00 0.00 C ATOM 1945 OE1 GLU B 36 153.357 19.693 5.173 1.00 0.00 O ATOM 1946 OE2 GLU B 36 154.139 19.778 7.179 1.00 0.00 O ATOM 0 H GLU B 36 151.726 15.726 5.872 1.00 0.00 H new ATOM 0 HA GLU B 36 149.809 17.480 7.124 1.00 0.00 H new ATOM 0 HB2 GLU B 36 151.749 17.799 4.791 1.00 0.00 H new ATOM 0 HB3 GLU B 36 150.793 19.122 5.430 1.00 0.00 H new ATOM 0 HG2 GLU B 36 151.785 18.739 7.704 1.00 0.00 H new ATOM 0 HG3 GLU B 36 152.741 17.416 7.065 1.00 0.00 H new ATOM 1953 N ARG B 37 149.023 16.160 4.289 1.00 0.00 N ATOM 1954 CA ARG B 37 147.954 16.078 3.250 1.00 0.00 C ATOM 1955 C ARG B 37 146.748 15.287 3.777 1.00 0.00 C ATOM 1956 O ARG B 37 145.763 15.127 3.084 1.00 0.00 O ATOM 1957 CB ARG B 37 148.522 15.398 1.999 1.00 0.00 C ATOM 1958 CG ARG B 37 149.686 16.221 1.421 1.00 0.00 C ATOM 1959 CD ARG B 37 149.176 17.487 0.713 1.00 0.00 C ATOM 1960 NE ARG B 37 148.084 17.129 -0.235 1.00 0.00 N ATOM 1961 CZ ARG B 37 147.323 18.064 -0.737 1.00 0.00 C ATOM 1962 NH1 ARG B 37 147.514 19.311 -0.399 1.00 0.00 N ATOM 1963 NH2 ARG B 37 146.373 17.753 -1.573 1.00 0.00 N ATOM 0 H ARG B 37 149.703 15.400 4.271 1.00 0.00 H new ATOM 0 HA ARG B 37 147.619 17.085 3.001 1.00 0.00 H new ATOM 0 HB2 ARG B 37 148.867 14.394 2.248 1.00 0.00 H new ATOM 0 HB3 ARG B 37 147.738 15.289 1.249 1.00 0.00 H new ATOM 0 HG2 ARG B 37 150.370 16.500 2.222 1.00 0.00 H new ATOM 0 HG3 ARG B 37 150.252 15.611 0.717 1.00 0.00 H new ATOM 0 HD2 ARG B 37 148.811 18.204 1.448 1.00 0.00 H new ATOM 0 HD3 ARG B 37 149.993 17.969 0.176 1.00 0.00 H new ATOM 0 HE ARG B 37 147.931 16.154 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG B 37 148.257 19.554 0.256 1.00 0.00 H new ATOM 0 HH12 ARG B 37 146.920 20.042 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG B 37 146.223 16.779 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG B 37 145.779 18.484 -1.965 1.00 0.00 H new ATOM 1977 N GLY B 38 146.790 14.828 5.009 1.00 0.00 N ATOM 1978 CA GLY B 38 145.609 14.096 5.585 1.00 0.00 C ATOM 1979 C GLY B 38 145.839 12.581 5.636 1.00 0.00 C ATOM 1980 O GLY B 38 144.955 11.840 6.017 1.00 0.00 O ATOM 0 H GLY B 38 147.586 14.927 5.639 1.00 0.00 H new ATOM 0 HA2 GLY B 38 145.409 14.466 6.591 1.00 0.00 H new ATOM 0 HA3 GLY B 38 144.724 14.308 4.985 1.00 0.00 H new ATOM 1984 N PHE B 39 147.005 12.107 5.283 1.00 0.00 N ATOM 1985 CA PHE B 39 147.271 10.632 5.345 1.00 0.00 C ATOM 1986 C PHE B 39 148.146 10.363 6.570 1.00 0.00 C ATOM 1987 O PHE B 39 149.333 10.126 6.464 1.00 0.00 O ATOM 1988 CB PHE B 39 148.017 10.201 4.086 1.00 0.00 C ATOM 1989 CG PHE B 39 147.136 10.408 2.880 1.00 0.00 C ATOM 1990 CD1 PHE B 39 147.167 11.629 2.205 1.00 0.00 C ATOM 1991 CD2 PHE B 39 146.292 9.385 2.438 1.00 0.00 C ATOM 1992 CE1 PHE B 39 146.352 11.835 1.087 1.00 0.00 C ATOM 1993 CE2 PHE B 39 145.475 9.588 1.319 1.00 0.00 C ATOM 1994 CZ PHE B 39 145.505 10.814 0.643 1.00 0.00 C ATOM 0 H PHE B 39 147.787 12.674 4.954 1.00 0.00 H new ATOM 0 HA PHE B 39 146.336 10.077 5.414 1.00 0.00 H new ATOM 0 HB2 PHE B 39 148.936 10.777 3.981 1.00 0.00 H new ATOM 0 HB3 PHE B 39 148.305 9.153 4.163 1.00 0.00 H new ATOM 0 HD1 PHE B 39 147.822 12.417 2.547 1.00 0.00 H new ATOM 0 HD2 PHE B 39 146.270 8.439 2.959 1.00 0.00 H new ATOM 0 HE1 PHE B 39 146.377 12.781 0.567 1.00 0.00 H new ATOM 0 HE2 PHE B 39 144.822 8.799 0.977 1.00 0.00 H new ATOM 0 HZ PHE B 39 144.875 10.971 -0.220 1.00 0.00 H new ATOM 2004 N ASP B 40 147.564 10.434 7.736 1.00 0.00 N ATOM 2005 CA ASP B 40 148.359 10.221 8.980 1.00 0.00 C ATOM 2006 C ASP B 40 148.521 8.728 9.276 1.00 0.00 C ATOM 2007 O ASP B 40 149.296 8.351 10.133 1.00 0.00 O ATOM 2008 CB ASP B 40 147.643 10.897 10.150 1.00 0.00 C ATOM 2009 CG ASP B 40 146.261 10.267 10.338 1.00 0.00 C ATOM 2010 OD1 ASP B 40 145.797 9.619 9.415 1.00 0.00 O ATOM 2011 OD2 ASP B 40 145.690 10.447 11.401 1.00 0.00 O ATOM 0 H ASP B 40 146.574 10.630 7.882 1.00 0.00 H new ATOM 0 HA ASP B 40 149.350 10.653 8.842 1.00 0.00 H new ATOM 0 HB2 ASP B 40 148.231 10.788 11.061 1.00 0.00 H new ATOM 0 HB3 ASP B 40 147.544 11.966 9.961 1.00 0.00 H new ATOM 2016 N LYS B 41 147.801 7.870 8.589 1.00 0.00 N ATOM 2017 CA LYS B 41 147.929 6.398 8.853 1.00 0.00 C ATOM 2018 C LYS B 41 148.004 5.632 7.530 1.00 0.00 C ATOM 2019 O LYS B 41 147.589 6.108 6.491 1.00 0.00 O ATOM 2020 CB LYS B 41 146.741 5.921 9.689 1.00 0.00 C ATOM 2021 CG LYS B 41 146.750 6.677 11.023 1.00 0.00 C ATOM 2022 CD LYS B 41 145.589 6.206 11.900 1.00 0.00 C ATOM 2023 CE LYS B 41 145.564 7.017 13.200 1.00 0.00 C ATOM 2024 NZ LYS B 41 144.998 8.370 12.931 1.00 0.00 N ATOM 0 H LYS B 41 147.133 8.123 7.861 1.00 0.00 H new ATOM 0 HA LYS B 41 148.847 6.208 9.410 1.00 0.00 H new ATOM 0 HB2 LYS B 41 145.807 6.102 9.157 1.00 0.00 H new ATOM 0 HB3 LYS B 41 146.806 4.847 9.862 1.00 0.00 H new ATOM 0 HG2 LYS B 41 147.696 6.511 11.538 1.00 0.00 H new ATOM 0 HG3 LYS B 41 146.669 7.749 10.843 1.00 0.00 H new ATOM 0 HD2 LYS B 41 144.646 6.325 11.367 1.00 0.00 H new ATOM 0 HD3 LYS B 41 145.696 5.145 12.124 1.00 0.00 H new ATOM 0 HE2 LYS B 41 144.964 6.503 13.951 1.00 0.00 H new ATOM 0 HE3 LYS B 41 146.572 7.107 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 144.855 8.871 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 145.657 8.910 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 144.087 8.274 12.439 1.00 0.00 H new ATOM 2038 N ALA B 42 148.577 4.460 7.566 1.00 0.00 N ATOM 2039 CA ALA B 42 148.746 3.647 6.324 1.00 0.00 C ATOM 2040 C ALA B 42 147.403 3.210 5.715 1.00 0.00 C ATOM 2041 O ALA B 42 147.245 3.218 4.510 1.00 0.00 O ATOM 2042 CB ALA B 42 149.565 2.401 6.659 1.00 0.00 C ATOM 0 H ALA B 42 148.940 4.024 8.414 1.00 0.00 H new ATOM 0 HA ALA B 42 149.252 4.271 5.588 1.00 0.00 H new ATOM 0 HB1 ALA B 42 149.695 1.799 5.760 1.00 0.00 H new ATOM 0 HB2 ALA B 42 150.541 2.699 7.041 1.00 0.00 H new ATOM 0 HB3 ALA B 42 149.043 1.815 7.416 1.00 0.00 H new ATOM 2048 N TYR B 43 146.450 2.785 6.506 1.00 0.00 N ATOM 2049 CA TYR B 43 145.166 2.303 5.907 1.00 0.00 C ATOM 2050 C TYR B 43 144.467 3.415 5.116 1.00 0.00 C ATOM 2051 O TYR B 43 143.655 3.143 4.256 1.00 0.00 O ATOM 2052 CB TYR B 43 144.225 1.735 6.980 1.00 0.00 C ATOM 2053 CG TYR B 43 143.681 2.823 7.880 1.00 0.00 C ATOM 2054 CD1 TYR B 43 142.653 3.663 7.427 1.00 0.00 C ATOM 2055 CD2 TYR B 43 144.181 2.971 9.178 1.00 0.00 C ATOM 2056 CE1 TYR B 43 142.131 4.649 8.272 1.00 0.00 C ATOM 2057 CE2 TYR B 43 143.659 3.958 10.020 1.00 0.00 C ATOM 2058 CZ TYR B 43 142.635 4.795 9.568 1.00 0.00 C ATOM 2059 OH TYR B 43 142.120 5.766 10.402 1.00 0.00 O ATOM 0 H TYR B 43 146.502 2.750 7.524 1.00 0.00 H new ATOM 0 HA TYR B 43 145.416 1.499 5.215 1.00 0.00 H new ATOM 0 HB2 TYR B 43 143.398 1.213 6.499 1.00 0.00 H new ATOM 0 HB3 TYR B 43 144.760 0.999 7.581 1.00 0.00 H new ATOM 0 HD1 TYR B 43 142.264 3.549 6.426 1.00 0.00 H new ATOM 0 HD2 TYR B 43 144.970 2.323 9.530 1.00 0.00 H new ATOM 0 HE1 TYR B 43 141.340 5.296 7.923 1.00 0.00 H new ATOM 0 HE2 TYR B 43 144.048 4.074 11.021 1.00 0.00 H new ATOM 0 HH TYR B 43 142.398 5.586 11.324 1.00 0.00 H new ATOM 2069 N VAL B 44 144.786 4.657 5.357 1.00 0.00 N ATOM 2070 CA VAL B 44 144.136 5.737 4.557 1.00 0.00 C ATOM 2071 C VAL B 44 144.823 5.756 3.190 1.00 0.00 C ATOM 2072 O VAL B 44 144.229 6.044 2.168 1.00 0.00 O ATOM 2073 CB VAL B 44 144.310 7.096 5.250 1.00 0.00 C ATOM 2074 CG1 VAL B 44 143.637 8.199 4.423 1.00 0.00 C ATOM 2075 CG2 VAL B 44 143.660 7.054 6.633 1.00 0.00 C ATOM 0 H VAL B 44 145.456 4.969 6.060 1.00 0.00 H new ATOM 0 HA VAL B 44 143.067 5.550 4.457 1.00 0.00 H new ATOM 0 HB VAL B 44 145.375 7.307 5.343 1.00 0.00 H new ATOM 0 HG11 VAL B 44 143.766 9.159 4.923 1.00 0.00 H new ATOM 0 HG12 VAL B 44 144.092 8.241 3.434 1.00 0.00 H new ATOM 0 HG13 VAL B 44 142.573 7.982 4.324 1.00 0.00 H new ATOM 0 HG21 VAL B 44 143.785 8.020 7.123 1.00 0.00 H new ATOM 0 HG22 VAL B 44 142.597 6.834 6.529 1.00 0.00 H new ATOM 0 HG23 VAL B 44 144.134 6.278 7.234 1.00 0.00 H new ATOM 2085 N VAL B 45 146.086 5.425 3.191 1.00 0.00 N ATOM 2086 CA VAL B 45 146.873 5.390 1.929 1.00 0.00 C ATOM 2087 C VAL B 45 146.472 4.141 1.143 1.00 0.00 C ATOM 2088 O VAL B 45 146.339 4.173 -0.064 1.00 0.00 O ATOM 2089 CB VAL B 45 148.365 5.333 2.254 1.00 0.00 C ATOM 2090 CG1 VAL B 45 149.160 5.143 0.961 1.00 0.00 C ATOM 2091 CG2 VAL B 45 148.790 6.639 2.932 1.00 0.00 C ATOM 0 H VAL B 45 146.612 5.174 4.028 1.00 0.00 H new ATOM 0 HA VAL B 45 146.673 6.285 1.340 1.00 0.00 H new ATOM 0 HB VAL B 45 148.561 4.497 2.926 1.00 0.00 H new ATOM 0 HG11 VAL B 45 150.225 5.102 1.191 1.00 0.00 H new ATOM 0 HG12 VAL B 45 148.857 4.213 0.481 1.00 0.00 H new ATOM 0 HG13 VAL B 45 148.966 5.979 0.288 1.00 0.00 H new ATOM 0 HG21 VAL B 45 149.854 6.599 3.164 1.00 0.00 H new ATOM 0 HG22 VAL B 45 148.596 7.477 2.262 1.00 0.00 H new ATOM 0 HG23 VAL B 45 148.223 6.772 3.853 1.00 0.00 H new ATOM 2101 N LEU B 46 146.243 3.048 1.819 1.00 0.00 N ATOM 2102 CA LEU B 46 145.813 1.819 1.101 1.00 0.00 C ATOM 2103 C LEU B 46 144.503 2.136 0.387 1.00 0.00 C ATOM 2104 O LEU B 46 144.272 1.727 -0.731 1.00 0.00 O ATOM 2105 CB LEU B 46 145.596 0.670 2.102 1.00 0.00 C ATOM 2106 CG LEU B 46 145.136 -0.608 1.366 1.00 0.00 C ATOM 2107 CD1 LEU B 46 146.227 -1.080 0.386 1.00 0.00 C ATOM 2108 CD2 LEU B 46 144.816 -1.729 2.383 1.00 0.00 C ATOM 0 H LEU B 46 146.335 2.955 2.831 1.00 0.00 H new ATOM 0 HA LEU B 46 146.576 1.510 0.387 1.00 0.00 H new ATOM 0 HB2 LEU B 46 146.521 0.472 2.644 1.00 0.00 H new ATOM 0 HB3 LEU B 46 144.849 0.960 2.841 1.00 0.00 H new ATOM 0 HG LEU B 46 144.232 -0.377 0.803 1.00 0.00 H new ATOM 0 HD11 LEU B 46 145.891 -1.981 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU B 46 146.421 -0.297 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU B 46 147.142 -1.296 0.937 1.00 0.00 H new ATOM 0 HD21 LEU B 46 144.493 -2.623 1.849 1.00 0.00 H new ATOM 0 HD22 LEU B 46 145.708 -1.957 2.966 1.00 0.00 H new ATOM 0 HD23 LEU B 46 144.021 -1.398 3.051 1.00 0.00 H new ATOM 2120 N GLY B 47 143.646 2.872 1.037 1.00 0.00 N ATOM 2121 CA GLY B 47 142.342 3.234 0.421 1.00 0.00 C ATOM 2122 C GLY B 47 142.575 3.919 -0.929 1.00 0.00 C ATOM 2123 O GLY B 47 141.911 3.623 -1.903 1.00 0.00 O ATOM 0 H GLY B 47 143.795 3.241 1.976 1.00 0.00 H new ATOM 0 HA2 GLY B 47 141.734 2.340 0.285 1.00 0.00 H new ATOM 0 HA3 GLY B 47 141.788 3.898 1.085 1.00 0.00 H new ATOM 2127 N GLN B 48 143.513 4.827 -1.006 1.00 0.00 N ATOM 2128 CA GLN B 48 143.778 5.511 -2.306 1.00 0.00 C ATOM 2129 C GLN B 48 144.192 4.467 -3.352 1.00 0.00 C ATOM 2130 O GLN B 48 143.750 4.495 -4.482 1.00 0.00 O ATOM 2131 CB GLN B 48 144.906 6.533 -2.124 1.00 0.00 C ATOM 2132 CG GLN B 48 145.055 7.375 -3.396 1.00 0.00 C ATOM 2133 CD GLN B 48 143.817 8.256 -3.572 1.00 0.00 C ATOM 2134 OE1 GLN B 48 143.565 9.136 -2.774 1.00 0.00 O ATOM 2135 NE2 GLN B 48 143.030 8.059 -4.595 1.00 0.00 N ATOM 0 H GLN B 48 144.104 5.123 -0.229 1.00 0.00 H new ATOM 0 HA GLN B 48 142.877 6.024 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN B 48 144.690 7.179 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN B 48 145.842 6.020 -1.905 1.00 0.00 H new ATOM 0 HG2 GLN B 48 145.949 7.995 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN B 48 145.179 6.725 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN B 48 143.241 7.320 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN B 48 142.204 8.644 -4.723 1.00 0.00 H new ATOM 2144 N PHE B 49 145.033 3.542 -2.971 1.00 0.00 N ATOM 2145 CA PHE B 49 145.480 2.480 -3.921 1.00 0.00 C ATOM 2146 C PHE B 49 144.255 1.692 -4.400 1.00 0.00 C ATOM 2147 O PHE B 49 144.141 1.330 -5.553 1.00 0.00 O ATOM 2148 CB PHE B 49 146.454 1.553 -3.185 1.00 0.00 C ATOM 2149 CG PHE B 49 146.938 0.456 -4.107 1.00 0.00 C ATOM 2150 CD1 PHE B 49 147.822 0.760 -5.149 1.00 0.00 C ATOM 2151 CD2 PHE B 49 146.520 -0.865 -3.907 1.00 0.00 C ATOM 2152 CE1 PHE B 49 148.286 -0.256 -5.993 1.00 0.00 C ATOM 2153 CE2 PHE B 49 146.983 -1.881 -4.751 1.00 0.00 C ATOM 2154 CZ PHE B 49 147.867 -1.576 -5.793 1.00 0.00 C ATOM 0 H PHE B 49 145.433 3.476 -2.035 1.00 0.00 H new ATOM 0 HA PHE B 49 145.978 2.918 -4.786 1.00 0.00 H new ATOM 0 HB2 PHE B 49 147.304 2.127 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE B 49 145.963 1.116 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE B 49 148.146 1.779 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE B 49 145.840 -1.100 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE B 49 148.967 -0.021 -6.798 1.00 0.00 H new ATOM 0 HE2 PHE B 49 146.659 -2.900 -4.599 1.00 0.00 H new ATOM 0 HZ PHE B 49 148.226 -2.360 -6.443 1.00 0.00 H new ATOM 2164 N LEU B 50 143.350 1.431 -3.512 1.00 0.00 N ATOM 2165 CA LEU B 50 142.132 0.665 -3.908 1.00 0.00 C ATOM 2166 C LEU B 50 141.295 1.531 -4.853 1.00 0.00 C ATOM 2167 O LEU B 50 140.695 1.043 -5.791 1.00 0.00 O ATOM 2168 CB LEU B 50 141.312 0.302 -2.667 1.00 0.00 C ATOM 2169 CG LEU B 50 142.134 -0.607 -1.741 1.00 0.00 C ATOM 2170 CD1 LEU B 50 141.345 -0.855 -0.453 1.00 0.00 C ATOM 2171 CD2 LEU B 50 142.429 -1.953 -2.432 1.00 0.00 C ATOM 0 H LEU B 50 143.393 1.710 -2.532 1.00 0.00 H new ATOM 0 HA LEU B 50 142.424 -0.257 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU B 50 141.021 1.208 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU B 50 140.393 -0.203 -2.963 1.00 0.00 H new ATOM 0 HG LEU B 50 143.081 -0.118 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU B 50 141.923 -1.500 0.209 1.00 0.00 H new ATOM 0 HD12 LEU B 50 141.152 0.096 0.044 1.00 0.00 H new ATOM 0 HD13 LEU B 50 140.398 -1.338 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU B 50 143.012 -2.585 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU B 50 141.490 -2.451 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU B 50 142.994 -1.776 -3.347 1.00 0.00 H new ATOM 2183 N VAL B 51 141.245 2.808 -4.610 1.00 0.00 N ATOM 2184 CA VAL B 51 140.445 3.710 -5.489 1.00 0.00 C ATOM 2185 C VAL B 51 141.057 3.752 -6.896 1.00 0.00 C ATOM 2186 O VAL B 51 140.371 3.981 -7.873 1.00 0.00 O ATOM 2187 CB VAL B 51 140.425 5.122 -4.891 1.00 0.00 C ATOM 2188 CG1 VAL B 51 139.751 6.090 -5.871 1.00 0.00 C ATOM 2189 CG2 VAL B 51 139.646 5.104 -3.570 1.00 0.00 C ATOM 0 H VAL B 51 141.725 3.271 -3.838 1.00 0.00 H new ATOM 0 HA VAL B 51 139.426 3.330 -5.558 1.00 0.00 H new ATOM 0 HB VAL B 51 141.448 5.452 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL B 51 139.739 7.092 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL B 51 140.306 6.103 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL B 51 138.728 5.764 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL B 51 139.631 6.107 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL B 51 138.624 4.772 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL B 51 140.129 4.420 -2.872 1.00 0.00 H new ATOM 2199 N LEU B 52 142.344 3.548 -7.008 1.00 0.00 N ATOM 2200 CA LEU B 52 143.000 3.596 -8.354 1.00 0.00 C ATOM 2201 C LEU B 52 142.963 2.215 -9.015 1.00 0.00 C ATOM 2202 O LEU B 52 143.625 1.986 -10.008 1.00 0.00 O ATOM 2203 CB LEU B 52 144.457 4.034 -8.195 1.00 0.00 C ATOM 2204 CG LEU B 52 144.523 5.434 -7.574 1.00 0.00 C ATOM 2205 CD1 LEU B 52 145.989 5.793 -7.329 1.00 0.00 C ATOM 2206 CD2 LEU B 52 143.889 6.469 -8.524 1.00 0.00 C ATOM 0 H LEU B 52 142.971 3.350 -6.228 1.00 0.00 H new ATOM 0 HA LEU B 52 142.462 4.307 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU B 52 144.992 3.323 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU B 52 144.952 4.035 -9.166 1.00 0.00 H new ATOM 0 HG LEU B 52 143.972 5.442 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU B 52 146.051 6.787 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU B 52 146.433 5.066 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU B 52 146.529 5.782 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU B 52 143.942 7.459 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU B 52 144.430 6.473 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU B 52 142.846 6.208 -8.703 1.00 0.00 H new ATOM 2218 N LYS B 53 142.191 1.299 -8.505 1.00 0.00 N ATOM 2219 CA LYS B 53 142.119 -0.045 -9.144 1.00 0.00 C ATOM 2220 C LYS B 53 143.529 -0.574 -9.445 1.00 0.00 C ATOM 2221 O LYS B 53 143.765 -1.163 -10.479 1.00 0.00 O ATOM 2222 CB LYS B 53 141.322 0.061 -10.445 1.00 0.00 C ATOM 2223 CG LYS B 53 139.861 0.373 -10.118 1.00 0.00 C ATOM 2224 CD LYS B 53 139.054 0.482 -11.412 1.00 0.00 C ATOM 2225 CE LYS B 53 137.595 0.795 -11.078 1.00 0.00 C ATOM 2226 NZ LYS B 53 136.814 0.931 -12.339 1.00 0.00 N ATOM 0 H LYS B 53 141.608 1.420 -7.677 1.00 0.00 H new ATOM 0 HA LYS B 53 141.627 -0.738 -8.461 1.00 0.00 H new ATOM 0 HB2 LYS B 53 141.740 0.843 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS B 53 141.390 -0.872 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS B 53 139.445 -0.410 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS B 53 139.795 1.306 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS B 53 139.469 1.265 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS B 53 139.118 -0.451 -11.973 1.00 0.00 H new ATOM 0 HE2 LYS B 53 137.174 0.001 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS B 53 137.533 1.716 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 135.822 1.144 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 137.211 1.703 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 136.863 0.041 -12.875 1.00 0.00 H new ATOM 2240 N LYS B 54 144.462 -0.372 -8.541 1.00 0.00 N ATOM 2241 CA LYS B 54 145.865 -0.864 -8.740 1.00 0.00 C ATOM 2242 C LYS B 54 146.498 -0.236 -9.991 1.00 0.00 C ATOM 2243 O LYS B 54 147.470 -0.747 -10.510 1.00 0.00 O ATOM 2244 CB LYS B 54 145.862 -2.392 -8.898 1.00 0.00 C ATOM 2245 CG LYS B 54 145.144 -3.032 -7.708 1.00 0.00 C ATOM 2246 CD LYS B 54 145.281 -4.559 -7.780 1.00 0.00 C ATOM 2247 CE LYS B 54 144.469 -5.109 -8.961 1.00 0.00 C ATOM 2248 NZ LYS B 54 144.224 -6.566 -8.757 1.00 0.00 N ATOM 0 H LYS B 54 144.307 0.120 -7.661 1.00 0.00 H new ATOM 0 HA LYS B 54 146.450 -0.577 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS B 54 145.365 -2.670 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS B 54 146.885 -2.763 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS B 54 145.568 -2.663 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS B 54 144.091 -2.751 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS B 54 146.330 -4.832 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS B 54 144.932 -5.007 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS B 54 143.521 -4.578 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS B 54 145.008 -4.947 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 143.674 -6.941 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 145.134 -7.066 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 143.693 -6.708 -7.874 1.00 0.00 H new ATOM 2262 N ASP B 55 145.991 0.865 -10.476 1.00 0.00 N ATOM 2263 CA ASP B 55 146.628 1.486 -11.678 1.00 0.00 C ATOM 2264 C ASP B 55 147.994 2.063 -11.262 1.00 0.00 C ATOM 2265 O ASP B 55 148.077 3.044 -10.550 1.00 0.00 O ATOM 2266 CB ASP B 55 145.721 2.592 -12.221 1.00 0.00 C ATOM 2267 CG ASP B 55 146.361 3.231 -13.458 1.00 0.00 C ATOM 2268 OD1 ASP B 55 147.577 3.326 -13.495 1.00 0.00 O ATOM 2269 OD2 ASP B 55 145.622 3.608 -14.352 1.00 0.00 O ATOM 0 H ASP B 55 145.179 1.356 -10.102 1.00 0.00 H new ATOM 0 HA ASP B 55 146.772 0.742 -12.462 1.00 0.00 H new ATOM 0 HB2 ASP B 55 144.745 2.181 -12.477 1.00 0.00 H new ATOM 0 HB3 ASP B 55 145.556 3.349 -11.454 1.00 0.00 H new ATOM 2274 N GLU B 56 149.058 1.426 -11.676 1.00 0.00 N ATOM 2275 CA GLU B 56 150.438 1.876 -11.294 1.00 0.00 C ATOM 2276 C GLU B 56 150.794 3.274 -11.835 1.00 0.00 C ATOM 2277 O GLU B 56 151.428 4.055 -11.158 1.00 0.00 O ATOM 2278 CB GLU B 56 151.453 0.863 -11.833 1.00 0.00 C ATOM 2279 CG GLU B 56 152.859 1.216 -11.331 1.00 0.00 C ATOM 2280 CD GLU B 56 153.861 0.189 -11.857 1.00 0.00 C ATOM 2281 OE1 GLU B 56 153.439 -0.720 -12.553 1.00 0.00 O ATOM 2282 OE2 GLU B 56 155.035 0.327 -11.554 1.00 0.00 O ATOM 0 H GLU B 56 149.033 0.599 -12.273 1.00 0.00 H new ATOM 0 HA GLU B 56 150.467 1.937 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU B 56 151.184 -0.142 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU B 56 151.436 0.862 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU B 56 153.136 2.215 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU B 56 152.875 1.230 -10.241 1.00 0.00 H new ATOM 2289 N ASP B 57 150.420 3.597 -13.041 1.00 0.00 N ATOM 2290 CA ASP B 57 150.781 4.942 -13.597 1.00 0.00 C ATOM 2291 C ASP B 57 150.009 6.043 -12.873 1.00 0.00 C ATOM 2292 O ASP B 57 150.536 7.097 -12.581 1.00 0.00 O ATOM 2293 CB ASP B 57 150.447 4.987 -15.090 1.00 0.00 C ATOM 2294 CG ASP B 57 151.413 4.083 -15.858 1.00 0.00 C ATOM 2295 OD1 ASP B 57 152.478 4.560 -16.218 1.00 0.00 O ATOM 2296 OD2 ASP B 57 151.071 2.934 -16.082 1.00 0.00 O ATOM 0 H ASP B 57 149.883 2.996 -13.667 1.00 0.00 H new ATOM 0 HA ASP B 57 151.849 5.104 -13.452 1.00 0.00 H new ATOM 0 HB2 ASP B 57 149.420 4.661 -15.253 1.00 0.00 H new ATOM 0 HB3 ASP B 57 150.519 6.010 -15.459 1.00 0.00 H new ATOM 2301 N LEU B 58 148.773 5.808 -12.583 1.00 0.00 N ATOM 2302 CA LEU B 58 147.984 6.852 -11.874 1.00 0.00 C ATOM 2303 C LEU B 58 148.499 6.977 -10.440 1.00 0.00 C ATOM 2304 O LEU B 58 148.620 8.062 -9.906 1.00 0.00 O ATOM 2305 CB LEU B 58 146.502 6.476 -11.861 1.00 0.00 C ATOM 2306 CG LEU B 58 145.954 6.448 -13.295 1.00 0.00 C ATOM 2307 CD1 LEU B 58 144.519 5.911 -13.273 1.00 0.00 C ATOM 2308 CD2 LEU B 58 145.967 7.865 -13.903 1.00 0.00 C ATOM 0 H LEU B 58 148.271 4.947 -12.801 1.00 0.00 H new ATOM 0 HA LEU B 58 148.097 7.805 -12.391 1.00 0.00 H new ATOM 0 HB2 LEU B 58 146.370 5.500 -11.394 1.00 0.00 H new ATOM 0 HB3 LEU B 58 145.941 7.194 -11.263 1.00 0.00 H new ATOM 0 HG LEU B 58 146.584 5.801 -13.906 1.00 0.00 H new ATOM 0 HD11 LEU B 58 144.123 5.888 -14.288 1.00 0.00 H new ATOM 0 HD12 LEU B 58 144.514 4.903 -12.859 1.00 0.00 H new ATOM 0 HD13 LEU B 58 143.897 6.560 -12.656 1.00 0.00 H new ATOM 0 HD21 LEU B 58 145.576 7.828 -14.920 1.00 0.00 H new ATOM 0 HD22 LEU B 58 145.346 8.526 -13.299 1.00 0.00 H new ATOM 0 HD23 LEU B 58 146.989 8.244 -13.921 1.00 0.00 H new ATOM 2320 N PHE B 59 148.831 5.878 -9.824 1.00 0.00 N ATOM 2321 CA PHE B 59 149.371 5.934 -8.437 1.00 0.00 C ATOM 2322 C PHE B 59 150.705 6.687 -8.437 1.00 0.00 C ATOM 2323 O PHE B 59 150.933 7.568 -7.632 1.00 0.00 O ATOM 2324 CB PHE B 59 149.563 4.508 -7.910 1.00 0.00 C ATOM 2325 CG PHE B 59 150.290 4.541 -6.587 1.00 0.00 C ATOM 2326 CD1 PHE B 59 149.580 4.759 -5.400 1.00 0.00 C ATOM 2327 CD2 PHE B 59 151.675 4.343 -6.548 1.00 0.00 C ATOM 2328 CE1 PHE B 59 150.256 4.779 -4.172 1.00 0.00 C ATOM 2329 CE2 PHE B 59 152.352 4.363 -5.323 1.00 0.00 C ATOM 2330 CZ PHE B 59 151.642 4.580 -4.134 1.00 0.00 C ATOM 0 H PHE B 59 148.752 4.942 -10.221 1.00 0.00 H new ATOM 0 HA PHE B 59 148.671 6.461 -7.788 1.00 0.00 H new ATOM 0 HB2 PHE B 59 148.595 4.022 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE B 59 150.129 3.918 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE B 59 148.511 4.912 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE B 59 152.222 4.175 -7.464 1.00 0.00 H new ATOM 0 HE1 PHE B 59 149.709 4.948 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE B 59 153.421 4.211 -5.294 1.00 0.00 H new ATOM 0 HZ PHE B 59 152.164 4.594 -3.188 1.00 0.00 H new ATOM 2340 N ARG B 60 151.598 6.332 -9.327 1.00 0.00 N ATOM 2341 CA ARG B 60 152.926 7.011 -9.369 1.00 0.00 C ATOM 2342 C ARG B 60 152.763 8.509 -9.624 1.00 0.00 C ATOM 2343 O ARG B 60 153.372 9.326 -8.960 1.00 0.00 O ATOM 2344 CB ARG B 60 153.776 6.407 -10.491 1.00 0.00 C ATOM 2345 CG ARG B 60 154.195 4.983 -10.123 1.00 0.00 C ATOM 2346 CD ARG B 60 154.935 4.348 -11.301 1.00 0.00 C ATOM 2347 NE ARG B 60 156.141 5.160 -11.628 1.00 0.00 N ATOM 2348 CZ ARG B 60 157.088 4.651 -12.367 1.00 0.00 C ATOM 2349 NH1 ARG B 60 156.989 3.425 -12.801 1.00 0.00 N ATOM 2350 NH2 ARG B 60 158.137 5.367 -12.670 1.00 0.00 N ATOM 0 H ARG B 60 151.463 5.601 -10.026 1.00 0.00 H new ATOM 0 HA ARG B 60 153.415 6.866 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG B 60 153.210 6.399 -11.423 1.00 0.00 H new ATOM 0 HB3 ARG B 60 154.660 7.022 -10.660 1.00 0.00 H new ATOM 0 HG2 ARG B 60 154.837 4.998 -9.242 1.00 0.00 H new ATOM 0 HG3 ARG B 60 153.317 4.389 -9.868 1.00 0.00 H new ATOM 0 HD2 ARG B 60 155.227 3.328 -11.053 1.00 0.00 H new ATOM 0 HD3 ARG B 60 154.277 4.289 -12.168 1.00 0.00 H new ATOM 0 HE ARG B 60 156.226 6.113 -11.274 1.00 0.00 H new ATOM 0 HH11 ARG B 60 156.171 2.864 -12.563 1.00 0.00 H new ATOM 0 HH12 ARG B 60 157.729 3.027 -13.379 1.00 0.00 H new ATOM 0 HH21 ARG B 60 158.216 6.325 -12.329 1.00 0.00 H new ATOM 0 HH22 ARG B 60 158.877 4.968 -13.248 1.00 0.00 H new ATOM 2364 N GLU B 61 151.955 8.891 -10.574 1.00 0.00 N ATOM 2365 CA GLU B 61 151.776 10.343 -10.846 1.00 0.00 C ATOM 2366 C GLU B 61 151.155 11.006 -9.617 1.00 0.00 C ATOM 2367 O GLU B 61 151.483 12.124 -9.270 1.00 0.00 O ATOM 2368 CB GLU B 61 150.856 10.529 -12.059 1.00 0.00 C ATOM 2369 CG GLU B 61 150.672 12.022 -12.341 1.00 0.00 C ATOM 2370 CD GLU B 61 149.823 12.205 -13.600 1.00 0.00 C ATOM 2371 OE1 GLU B 61 149.586 11.221 -14.280 1.00 0.00 O ATOM 2372 OE2 GLU B 61 149.428 13.329 -13.866 1.00 0.00 O ATOM 0 H GLU B 61 151.414 8.264 -11.170 1.00 0.00 H new ATOM 0 HA GLU B 61 152.742 10.801 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU B 61 151.283 10.034 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU B 61 149.889 10.063 -11.870 1.00 0.00 H new ATOM 0 HG2 GLU B 61 150.190 12.506 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU B 61 151.643 12.500 -12.472 1.00 0.00 H new ATOM 2379 N TRP B 62 150.264 10.327 -8.955 1.00 0.00 N ATOM 2380 CA TRP B 62 149.624 10.922 -7.748 1.00 0.00 C ATOM 2381 C TRP B 62 150.653 11.154 -6.637 1.00 0.00 C ATOM 2382 O TRP B 62 150.682 12.197 -6.018 1.00 0.00 O ATOM 2383 CB TRP B 62 148.529 9.976 -7.228 1.00 0.00 C ATOM 2384 CG TRP B 62 148.068 10.432 -5.873 1.00 0.00 C ATOM 2385 CD1 TRP B 62 147.129 11.378 -5.641 1.00 0.00 C ATOM 2386 CD2 TRP B 62 148.535 9.988 -4.565 1.00 0.00 C ATOM 2387 NE1 TRP B 62 146.983 11.536 -4.273 1.00 0.00 N ATOM 2388 CE2 TRP B 62 147.829 10.700 -3.567 1.00 0.00 C ATOM 2389 CE3 TRP B 62 149.491 9.040 -4.152 1.00 0.00 C ATOM 2390 CZ2 TRP B 62 148.065 10.482 -2.206 1.00 0.00 C ATOM 2391 CZ3 TRP B 62 149.728 8.817 -2.786 1.00 0.00 C ATOM 2392 CH2 TRP B 62 149.017 9.537 -1.816 1.00 0.00 C ATOM 0 H TRP B 62 149.950 9.387 -9.195 1.00 0.00 H new ATOM 0 HA TRP B 62 149.191 11.882 -8.030 1.00 0.00 H new ATOM 0 HB2 TRP B 62 147.689 9.960 -7.922 1.00 0.00 H new ATOM 0 HB3 TRP B 62 148.913 8.958 -7.169 1.00 0.00 H new ATOM 0 HD1 TRP B 62 146.583 11.921 -6.398 1.00 0.00 H new ATOM 0 HE1 TRP B 62 146.331 12.189 -3.839 1.00 0.00 H new ATOM 0 HE3 TRP B 62 150.046 8.481 -4.891 1.00 0.00 H new ATOM 0 HZ2 TRP B 62 147.516 11.040 -1.462 1.00 0.00 H new ATOM 0 HZ3 TRP B 62 150.463 8.086 -2.481 1.00 0.00 H new ATOM 0 HH2 TRP B 62 149.205 9.361 -0.767 1.00 0.00 H new ATOM 2403 N LEU B 63 151.484 10.193 -6.363 1.00 0.00 N ATOM 2404 CA LEU B 63 152.483 10.368 -5.271 1.00 0.00 C ATOM 2405 C LEU B 63 153.541 11.403 -5.668 1.00 0.00 C ATOM 2406 O LEU B 63 153.878 12.283 -4.900 1.00 0.00 O ATOM 2407 CB LEU B 63 153.156 9.019 -4.985 1.00 0.00 C ATOM 2408 CG LEU B 63 154.197 9.157 -3.861 1.00 0.00 C ATOM 2409 CD1 LEU B 63 153.517 9.571 -2.547 1.00 0.00 C ATOM 2410 CD2 LEU B 63 154.904 7.811 -3.670 1.00 0.00 C ATOM 0 H LEU B 63 151.517 9.295 -6.845 1.00 0.00 H new ATOM 0 HA LEU B 63 151.973 10.725 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU B 63 152.403 8.284 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU B 63 153.638 8.648 -5.890 1.00 0.00 H new ATOM 0 HG LEU B 63 154.920 9.925 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU B 63 154.268 9.664 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU B 63 153.014 10.528 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU B 63 152.786 8.815 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU B 63 155.644 7.899 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU B 63 154.171 7.050 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU B 63 155.400 7.526 -4.598 1.00 0.00 H new ATOM 2422 N LYS B 64 154.083 11.297 -6.846 1.00 0.00 N ATOM 2423 CA LYS B 64 155.132 12.264 -7.278 1.00 0.00 C ATOM 2424 C LYS B 64 154.574 13.687 -7.271 1.00 0.00 C ATOM 2425 O LYS B 64 155.172 14.599 -6.736 1.00 0.00 O ATOM 2426 CB LYS B 64 155.609 11.914 -8.687 1.00 0.00 C ATOM 2427 CG LYS B 64 156.689 12.912 -9.120 1.00 0.00 C ATOM 2428 CD LYS B 64 157.337 12.448 -10.429 1.00 0.00 C ATOM 2429 CE LYS B 64 156.361 12.639 -11.595 1.00 0.00 C ATOM 2430 NZ LYS B 64 157.092 12.486 -12.885 1.00 0.00 N ATOM 0 H LYS B 64 153.846 10.581 -7.532 1.00 0.00 H new ATOM 0 HA LYS B 64 155.970 12.205 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS B 64 156.007 10.899 -8.707 1.00 0.00 H new ATOM 0 HB3 LYS B 64 154.772 11.942 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS B 64 156.250 13.901 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS B 64 157.446 13.001 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS B 64 158.250 13.014 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS B 64 157.622 11.399 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS B 64 155.555 11.908 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS B 64 155.901 13.626 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 156.430 12.616 -13.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 157.846 13.200 -12.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 157.511 11.535 -12.936 1.00 0.00 H new ATOM 2444 N ASP B 65 153.437 13.883 -7.872 1.00 0.00 N ATOM 2445 CA ASP B 65 152.840 15.246 -7.916 1.00 0.00 C ATOM 2446 C ASP B 65 152.369 15.648 -6.518 1.00 0.00 C ATOM 2447 O ASP B 65 152.259 16.816 -6.204 1.00 0.00 O ATOM 2448 CB ASP B 65 151.648 15.249 -8.877 1.00 0.00 C ATOM 2449 CG ASP B 65 152.150 15.101 -10.316 1.00 0.00 C ATOM 2450 OD1 ASP B 65 153.185 15.669 -10.622 1.00 0.00 O ATOM 2451 OD2 ASP B 65 151.492 14.418 -11.084 1.00 0.00 O ATOM 0 H ASP B 65 152.892 13.156 -8.337 1.00 0.00 H new ATOM 0 HA ASP B 65 153.590 15.958 -8.262 1.00 0.00 H new ATOM 0 HB2 ASP B 65 150.968 14.433 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP B 65 151.084 16.176 -8.771 1.00 0.00 H new ATOM 2456 N THR B 66 152.059 14.691 -5.685 1.00 0.00 N ATOM 2457 CA THR B 66 151.562 15.021 -4.319 1.00 0.00 C ATOM 2458 C THR B 66 152.715 15.367 -3.370 1.00 0.00 C ATOM 2459 O THR B 66 152.543 16.183 -2.485 1.00 0.00 O ATOM 2460 CB THR B 66 150.775 13.830 -3.762 1.00 0.00 C ATOM 2461 OG1 THR B 66 149.601 13.641 -4.539 1.00 0.00 O ATOM 2462 CG2 THR B 66 150.377 14.101 -2.309 1.00 0.00 C ATOM 0 H THR B 66 152.129 13.695 -5.892 1.00 0.00 H new ATOM 0 HA THR B 66 150.915 15.895 -4.394 1.00 0.00 H new ATOM 0 HB THR B 66 151.398 12.937 -3.804 1.00 0.00 H new ATOM 0 HG1 THR B 66 149.826 13.152 -5.358 1.00 0.00 H new ATOM 0 HG21 THR B 66 149.818 13.250 -1.920 1.00 0.00 H new ATOM 0 HG22 THR B 66 151.274 14.251 -1.708 1.00 0.00 H new ATOM 0 HG23 THR B 66 149.755 14.995 -2.263 1.00 0.00 H new ATOM 2470 N CYS B 67 153.874 14.747 -3.492 1.00 0.00 N ATOM 2471 CA CYS B 67 154.991 15.052 -2.532 1.00 0.00 C ATOM 2472 C CYS B 67 156.321 15.285 -3.257 1.00 0.00 C ATOM 2473 O CYS B 67 157.167 16.017 -2.784 1.00 0.00 O ATOM 2474 CB CYS B 67 155.154 13.873 -1.572 1.00 0.00 C ATOM 2475 SG CYS B 67 155.786 12.439 -2.476 1.00 0.00 S ATOM 0 H CYS B 67 154.091 14.052 -4.206 1.00 0.00 H new ATOM 0 HA CYS B 67 154.734 15.965 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS B 67 155.839 14.139 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS B 67 154.197 13.632 -1.110 1.00 0.00 H new ATOM 0 HG CYS B 67 155.066 12.246 -3.541 1.00 0.00 H new ATOM 2481 N GLY B 68 156.520 14.662 -4.394 1.00 0.00 N ATOM 2482 CA GLY B 68 157.806 14.838 -5.148 1.00 0.00 C ATOM 2483 C GLY B 68 158.648 13.561 -5.036 1.00 0.00 C ATOM 2484 O GLY B 68 159.822 13.557 -5.345 1.00 0.00 O ATOM 0 H GLY B 68 155.846 14.037 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY B 68 157.598 15.058 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY B 68 158.360 15.687 -4.748 1.00 0.00 H new ATOM 2488 N ALA B 69 158.064 12.474 -4.598 1.00 0.00 N ATOM 2489 CA ALA B 69 158.842 11.204 -4.473 1.00 0.00 C ATOM 2490 C ALA B 69 159.535 10.887 -5.801 1.00 0.00 C ATOM 2491 O ALA B 69 159.086 11.287 -6.856 1.00 0.00 O ATOM 2492 CB ALA B 69 157.892 10.058 -4.115 1.00 0.00 C ATOM 0 H ALA B 69 157.084 12.411 -4.322 1.00 0.00 H new ATOM 0 HA ALA B 69 159.593 11.319 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA B 69 158.458 9.131 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA B 69 157.399 10.277 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA B 69 157.142 9.949 -4.898 1.00 0.00 H new ATOM 2498 N ASN B 70 160.632 10.172 -5.758 1.00 0.00 N ATOM 2499 CA ASN B 70 161.360 9.835 -7.019 1.00 0.00 C ATOM 2500 C ASN B 70 160.852 8.499 -7.571 1.00 0.00 C ATOM 2501 O ASN B 70 160.062 7.815 -6.951 1.00 0.00 O ATOM 2502 CB ASN B 70 162.861 9.725 -6.730 1.00 0.00 C ATOM 2503 CG ASN B 70 163.639 9.757 -8.048 1.00 0.00 C ATOM 2504 OD1 ASN B 70 163.298 10.496 -8.951 1.00 0.00 O ATOM 2505 ND2 ASN B 70 164.677 8.981 -8.199 1.00 0.00 N ATOM 0 H ASN B 70 161.054 9.807 -4.904 1.00 0.00 H new ATOM 0 HA ASN B 70 161.184 10.620 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN B 70 163.179 10.546 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN B 70 163.072 8.800 -6.193 1.00 0.00 H new ATOM 0 HD21 ASN B 70 165.201 8.995 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN B 70 164.964 8.360 -7.442 1.00 0.00 H new ATOM 2512 N ALA B 71 161.292 8.139 -8.744 1.00 0.00 N ATOM 2513 CA ALA B 71 160.835 6.866 -9.373 1.00 0.00 C ATOM 2514 C ALA B 71 161.258 5.643 -8.548 1.00 0.00 C ATOM 2515 O ALA B 71 160.579 4.638 -8.542 1.00 0.00 O ATOM 2516 CB ALA B 71 161.438 6.754 -10.775 1.00 0.00 C ATOM 0 H ALA B 71 161.956 8.677 -9.301 1.00 0.00 H new ATOM 0 HA ALA B 71 159.746 6.885 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA B 71 161.108 5.825 -11.240 1.00 0.00 H new ATOM 0 HB2 ALA B 71 161.111 7.599 -11.380 1.00 0.00 H new ATOM 0 HB3 ALA B 71 162.526 6.758 -10.705 1.00 0.00 H new ATOM 2522 N LYS B 72 162.374 5.691 -7.871 1.00 0.00 N ATOM 2523 CA LYS B 72 162.803 4.487 -7.093 1.00 0.00 C ATOM 2524 C LYS B 72 161.906 4.287 -5.868 1.00 0.00 C ATOM 2525 O LYS B 72 161.507 3.180 -5.548 1.00 0.00 O ATOM 2526 CB LYS B 72 164.260 4.649 -6.650 1.00 0.00 C ATOM 2527 CG LYS B 72 164.710 3.383 -5.910 1.00 0.00 C ATOM 2528 CD LYS B 72 166.234 3.401 -5.718 1.00 0.00 C ATOM 2529 CE LYS B 72 166.634 4.477 -4.702 1.00 0.00 C ATOM 2530 NZ LYS B 72 166.649 5.810 -5.369 1.00 0.00 N ATOM 0 H LYS B 72 162.999 6.495 -7.821 1.00 0.00 H new ATOM 0 HA LYS B 72 162.714 3.610 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS B 72 164.898 4.824 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS B 72 164.360 5.518 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS B 72 164.214 3.322 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS B 72 164.417 2.498 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS B 72 166.575 2.424 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS B 72 166.725 3.593 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS B 72 165.932 4.484 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS B 72 167.618 4.254 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 167.623 6.174 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 166.287 5.717 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 166.047 6.471 -4.837 1.00 0.00 H new ATOM 2544 N GLN B 73 161.588 5.343 -5.170 1.00 0.00 N ATOM 2545 CA GLN B 73 160.732 5.209 -3.959 1.00 0.00 C ATOM 2546 C GLN B 73 159.323 4.773 -4.344 1.00 0.00 C ATOM 2547 O GLN B 73 158.677 4.036 -3.625 1.00 0.00 O ATOM 2548 CB GLN B 73 160.676 6.552 -3.216 1.00 0.00 C ATOM 2549 CG GLN B 73 161.976 6.764 -2.435 1.00 0.00 C ATOM 2550 CD GLN B 73 163.147 6.884 -3.409 1.00 0.00 C ATOM 2551 OE1 GLN B 73 163.338 7.914 -4.024 1.00 0.00 O ATOM 2552 NE2 GLN B 73 163.942 5.863 -3.582 1.00 0.00 N ATOM 0 H GLN B 73 161.885 6.294 -5.387 1.00 0.00 H new ATOM 0 HA GLN B 73 161.164 4.450 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN B 73 160.530 7.366 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN B 73 159.825 6.567 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN B 73 161.903 7.665 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN B 73 162.142 5.930 -1.753 1.00 0.00 H new ATOM 0 HE21 GLN B 73 163.781 4.998 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN B 73 164.724 5.930 -4.234 1.00 0.00 H new ATOM 2561 N SER B 74 158.826 5.225 -5.461 1.00 0.00 N ATOM 2562 CA SER B 74 157.450 4.839 -5.865 1.00 0.00 C ATOM 2563 C SER B 74 157.391 3.342 -6.188 1.00 0.00 C ATOM 2564 O SER B 74 156.424 2.677 -5.878 1.00 0.00 O ATOM 2565 CB SER B 74 157.036 5.653 -7.091 1.00 0.00 C ATOM 2566 OG SER B 74 155.619 5.659 -7.185 1.00 0.00 O ATOM 0 H SER B 74 159.314 5.844 -6.109 1.00 0.00 H new ATOM 0 HA SER B 74 156.765 5.044 -5.043 1.00 0.00 H new ATOM 0 HB2 SER B 74 157.412 6.673 -7.010 1.00 0.00 H new ATOM 0 HB3 SER B 74 157.471 5.223 -7.993 1.00 0.00 H new ATOM 0 HG SER B 74 155.303 6.580 -7.298 1.00 0.00 H new ATOM 2572 N ARG B 75 158.406 2.798 -6.816 1.00 0.00 N ATOM 2573 CA ARG B 75 158.370 1.347 -7.154 1.00 0.00 C ATOM 2574 C ARG B 75 158.241 0.523 -5.876 1.00 0.00 C ATOM 2575 O ARG B 75 157.573 -0.493 -5.859 1.00 0.00 O ATOM 2576 CB ARG B 75 159.644 0.936 -7.896 1.00 0.00 C ATOM 2577 CG ARG B 75 159.644 1.551 -9.297 1.00 0.00 C ATOM 2578 CD ARG B 75 160.917 1.134 -10.037 1.00 0.00 C ATOM 2579 NE ARG B 75 160.939 1.783 -11.379 1.00 0.00 N ATOM 2580 CZ ARG B 75 162.028 1.767 -12.098 1.00 0.00 C ATOM 2581 NH1 ARG B 75 163.098 1.168 -11.651 1.00 0.00 N ATOM 2582 NH2 ARG B 75 162.045 2.349 -13.266 1.00 0.00 N ATOM 0 H ARG B 75 159.249 3.294 -7.105 1.00 0.00 H new ATOM 0 HA ARG B 75 157.511 1.163 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG B 75 160.522 1.268 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG B 75 159.702 -0.150 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG B 75 158.764 1.222 -9.850 1.00 0.00 H new ATOM 0 HG3 ARG B 75 159.589 2.638 -9.229 1.00 0.00 H new ATOM 0 HD2 ARG B 75 161.797 1.426 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG B 75 160.951 0.050 -10.144 1.00 0.00 H new ATOM 0 HE ARG B 75 160.100 2.241 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG B 75 163.084 0.712 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG B 75 163.949 1.156 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG B 75 161.208 2.815 -13.616 1.00 0.00 H new ATOM 0 HH22 ARG B 75 162.895 2.337 -13.829 1.00 0.00 H new ATOM 2596 N ASP B 76 158.877 0.919 -4.808 1.00 0.00 N ATOM 2597 CA ASP B 76 158.789 0.125 -3.552 1.00 0.00 C ATOM 2598 C ASP B 76 157.388 0.217 -2.949 1.00 0.00 C ATOM 2599 O ASP B 76 156.876 -0.749 -2.420 1.00 0.00 O ATOM 2600 CB ASP B 76 159.812 0.649 -2.543 1.00 0.00 C ATOM 2601 CG ASP B 76 161.223 0.295 -3.016 1.00 0.00 C ATOM 2602 OD1 ASP B 76 161.348 -0.623 -3.810 1.00 0.00 O ATOM 2603 OD2 ASP B 76 162.154 0.950 -2.578 1.00 0.00 O ATOM 0 H ASP B 76 159.454 1.758 -4.752 1.00 0.00 H new ATOM 0 HA ASP B 76 159.000 -0.918 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP B 76 159.713 1.729 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP B 76 159.626 0.214 -1.561 1.00 0.00 H new ATOM 2608 N CYS B 77 156.751 1.355 -3.017 1.00 0.00 N ATOM 2609 CA CYS B 77 155.383 1.463 -2.439 1.00 0.00 C ATOM 2610 C CYS B 77 154.402 0.637 -3.275 1.00 0.00 C ATOM 2611 O CYS B 77 153.535 -0.025 -2.745 1.00 0.00 O ATOM 2612 CB CYS B 77 154.944 2.928 -2.454 1.00 0.00 C ATOM 2613 SG CYS B 77 155.913 3.862 -1.242 1.00 0.00 S ATOM 0 H CYS B 77 157.115 2.207 -3.444 1.00 0.00 H new ATOM 0 HA CYS B 77 155.393 1.088 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS B 77 155.083 3.350 -3.449 1.00 0.00 H new ATOM 0 HB3 CYS B 77 153.882 3.003 -2.221 1.00 0.00 H new ATOM 0 HG CYS B 77 156.410 3.045 -0.361 1.00 0.00 H new ATOM 2619 N PHE B 78 154.513 0.674 -4.575 1.00 0.00 N ATOM 2620 CA PHE B 78 153.558 -0.107 -5.408 1.00 0.00 C ATOM 2621 C PHE B 78 153.660 -1.590 -5.058 1.00 0.00 C ATOM 2622 O PHE B 78 152.698 -2.207 -4.646 1.00 0.00 O ATOM 2623 CB PHE B 78 153.892 0.103 -6.886 1.00 0.00 C ATOM 2624 CG PHE B 78 152.993 -0.755 -7.741 1.00 0.00 C ATOM 2625 CD1 PHE B 78 151.766 -0.255 -8.196 1.00 0.00 C ATOM 2626 CD2 PHE B 78 153.392 -2.051 -8.087 1.00 0.00 C ATOM 2627 CE1 PHE B 78 150.938 -1.055 -8.996 1.00 0.00 C ATOM 2628 CE2 PHE B 78 152.565 -2.849 -8.886 1.00 0.00 C ATOM 2629 CZ PHE B 78 151.338 -2.352 -9.340 1.00 0.00 C ATOM 0 H PHE B 78 155.215 1.205 -5.091 1.00 0.00 H new ATOM 0 HA PHE B 78 152.541 0.232 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE B 78 153.767 1.153 -7.151 1.00 0.00 H new ATOM 0 HB3 PHE B 78 154.936 -0.150 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE B 78 151.458 0.746 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE B 78 154.339 -2.436 -7.737 1.00 0.00 H new ATOM 0 HE1 PHE B 78 149.992 -0.671 -9.347 1.00 0.00 H new ATOM 0 HE2 PHE B 78 152.874 -3.849 -9.152 1.00 0.00 H new ATOM 0 HZ PHE B 78 150.700 -2.969 -9.956 1.00 0.00 H new ATOM 2639 N GLY B 79 154.817 -2.170 -5.221 1.00 0.00 N ATOM 2640 CA GLY B 79 154.981 -3.616 -4.903 1.00 0.00 C ATOM 2641 C GLY B 79 154.661 -3.870 -3.427 1.00 0.00 C ATOM 2642 O GLY B 79 154.148 -4.907 -3.062 1.00 0.00 O ATOM 0 H GLY B 79 155.658 -1.704 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY B 79 154.322 -4.212 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY B 79 156.001 -3.931 -5.121 1.00 0.00 H new ATOM 2646 N CYS B 80 154.951 -2.929 -2.578 1.00 0.00 N ATOM 2647 CA CYS B 80 154.652 -3.126 -1.132 1.00 0.00 C ATOM 2648 C CYS B 80 153.136 -3.168 -0.925 1.00 0.00 C ATOM 2649 O CYS B 80 152.612 -4.069 -0.300 1.00 0.00 O ATOM 2650 CB CYS B 80 155.241 -1.969 -0.323 1.00 0.00 C ATOM 2651 SG CYS B 80 154.875 -2.211 1.434 1.00 0.00 S ATOM 0 H CYS B 80 155.380 -2.035 -2.818 1.00 0.00 H new ATOM 0 HA CYS B 80 155.093 -4.065 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS B 80 156.319 -1.916 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS B 80 154.823 -1.022 -0.665 1.00 0.00 H new ATOM 0 HG CYS B 80 154.568 -1.069 1.974 1.00 0.00 H new ATOM 2657 N LEU B 81 152.425 -2.210 -1.455 1.00 0.00 N ATOM 2658 CA LEU B 81 150.945 -2.232 -1.287 1.00 0.00 C ATOM 2659 C LEU B 81 150.349 -3.378 -2.115 1.00 0.00 C ATOM 2660 O LEU B 81 149.435 -4.053 -1.684 1.00 0.00 O ATOM 2661 CB LEU B 81 150.345 -0.899 -1.753 1.00 0.00 C ATOM 2662 CG LEU B 81 150.906 0.265 -0.920 1.00 0.00 C ATOM 2663 CD1 LEU B 81 150.279 1.578 -1.409 1.00 0.00 C ATOM 2664 CD2 LEU B 81 150.584 0.061 0.572 1.00 0.00 C ATOM 0 H LEU B 81 152.798 -1.425 -1.989 1.00 0.00 H new ATOM 0 HA LEU B 81 150.709 -2.383 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU B 81 150.571 -0.741 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU B 81 149.259 -0.930 -1.660 1.00 0.00 H new ATOM 0 HG LEU B 81 151.989 0.303 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU B 81 150.672 2.409 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU B 81 150.523 1.728 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU B 81 149.196 1.530 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU B 81 150.988 0.893 1.148 1.00 0.00 H new ATOM 0 HD22 LEU B 81 149.503 0.016 0.708 1.00 0.00 H new ATOM 0 HD23 LEU B 81 151.033 -0.871 0.917 1.00 0.00 H new ATOM 2676 N ARG B 82 150.851 -3.600 -3.304 1.00 0.00 N ATOM 2677 CA ARG B 82 150.303 -4.696 -4.158 1.00 0.00 C ATOM 2678 C ARG B 82 150.459 -6.043 -3.447 1.00 0.00 C ATOM 2679 O ARG B 82 149.562 -6.863 -3.444 1.00 0.00 O ATOM 2680 CB ARG B 82 151.065 -4.729 -5.486 1.00 0.00 C ATOM 2681 CG ARG B 82 150.499 -5.831 -6.386 1.00 0.00 C ATOM 2682 CD ARG B 82 151.129 -5.726 -7.778 1.00 0.00 C ATOM 2683 NE ARG B 82 150.745 -6.919 -8.587 1.00 0.00 N ATOM 2684 CZ ARG B 82 150.950 -6.930 -9.876 1.00 0.00 C ATOM 2685 NH1 ARG B 82 151.498 -5.899 -10.459 1.00 0.00 N ATOM 2686 NH2 ARG B 82 150.607 -7.973 -10.583 1.00 0.00 N ATOM 0 H ARG B 82 151.617 -3.069 -3.719 1.00 0.00 H new ATOM 0 HA ARG B 82 149.245 -4.513 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG B 82 150.985 -3.763 -5.985 1.00 0.00 H new ATOM 0 HB3 ARG B 82 152.125 -4.906 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG B 82 150.706 -6.810 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG B 82 149.415 -5.737 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG B 82 150.794 -4.814 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG B 82 152.214 -5.663 -7.694 1.00 0.00 H new ATOM 0 HE ARG B 82 150.321 -7.728 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG B 82 151.766 -5.084 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG B 82 151.658 -5.908 -11.466 1.00 0.00 H new ATOM 0 HH21 ARG B 82 150.179 -8.779 -10.128 1.00 0.00 H new ATOM 0 HH22 ARG B 82 150.767 -7.981 -11.590 1.00 0.00 H new ATOM 2700 N GLU B 83 151.592 -6.278 -2.841 1.00 0.00 N ATOM 2701 CA GLU B 83 151.810 -7.569 -2.127 1.00 0.00 C ATOM 2702 C GLU B 83 150.950 -7.643 -0.866 1.00 0.00 C ATOM 2703 O GLU B 83 150.424 -8.689 -0.540 1.00 0.00 O ATOM 2704 CB GLU B 83 153.284 -7.722 -1.758 1.00 0.00 C ATOM 2705 CG GLU B 83 154.101 -7.959 -3.030 1.00 0.00 C ATOM 2706 CD GLU B 83 155.581 -8.084 -2.670 1.00 0.00 C ATOM 2707 OE1 GLU B 83 155.879 -8.131 -1.489 1.00 0.00 O ATOM 2708 OE2 GLU B 83 156.390 -8.130 -3.582 1.00 0.00 O ATOM 0 H GLU B 83 152.378 -5.629 -2.810 1.00 0.00 H new ATOM 0 HA GLU B 83 151.520 -8.381 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU B 83 153.638 -6.827 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU B 83 153.414 -8.556 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU B 83 153.760 -8.865 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU B 83 153.954 -7.135 -3.728 1.00 0.00 H new ATOM 2715 N TRP B 84 150.773 -6.558 -0.154 1.00 0.00 N ATOM 2716 CA TRP B 84 149.920 -6.620 1.063 1.00 0.00 C ATOM 2717 C TRP B 84 148.521 -7.056 0.627 1.00 0.00 C ATOM 2718 O TRP B 84 147.886 -7.879 1.254 1.00 0.00 O ATOM 2719 CB TRP B 84 149.857 -5.240 1.727 1.00 0.00 C ATOM 2720 CG TRP B 84 149.175 -5.361 3.053 1.00 0.00 C ATOM 2721 CD1 TRP B 84 149.805 -5.600 4.229 1.00 0.00 C ATOM 2722 CD2 TRP B 84 147.755 -5.264 3.362 1.00 0.00 C ATOM 2723 NE1 TRP B 84 148.860 -5.655 5.238 1.00 0.00 N ATOM 2724 CE2 TRP B 84 147.584 -5.454 4.755 1.00 0.00 C ATOM 2725 CE3 TRP B 84 146.610 -5.033 2.580 1.00 0.00 C ATOM 2726 CZ2 TRP B 84 146.321 -5.417 5.348 1.00 0.00 C ATOM 2727 CZ3 TRP B 84 145.338 -4.994 3.175 1.00 0.00 C ATOM 2728 CH2 TRP B 84 145.195 -5.187 4.556 1.00 0.00 C ATOM 0 H TRP B 84 151.178 -5.645 -0.362 1.00 0.00 H new ATOM 0 HA TRP B 84 150.332 -7.326 1.784 1.00 0.00 H new ATOM 0 HB2 TRP B 84 150.863 -4.840 1.857 1.00 0.00 H new ATOM 0 HB3 TRP B 84 149.316 -4.541 1.089 1.00 0.00 H new ATOM 0 HD1 TRP B 84 150.870 -5.727 4.357 1.00 0.00 H new ATOM 0 HE1 TRP B 84 149.080 -5.824 6.220 1.00 0.00 H new ATOM 0 HE3 TRP B 84 146.709 -4.885 1.515 1.00 0.00 H new ATOM 0 HZ2 TRP B 84 146.216 -5.565 6.413 1.00 0.00 H new ATOM 0 HZ3 TRP B 84 144.465 -4.814 2.565 1.00 0.00 H new ATOM 0 HH2 TRP B 84 144.214 -5.158 5.007 1.00 0.00 H new ATOM 2739 N CYS B 85 148.044 -6.504 -0.455 1.00 0.00 N ATOM 2740 CA CYS B 85 146.693 -6.880 -0.956 1.00 0.00 C ATOM 2741 C CYS B 85 146.679 -8.372 -1.302 1.00 0.00 C ATOM 2742 O CYS B 85 145.724 -9.076 -1.037 1.00 0.00 O ATOM 2743 CB CYS B 85 146.390 -6.054 -2.211 1.00 0.00 C ATOM 2744 SG CYS B 85 145.904 -4.379 -1.724 1.00 0.00 S ATOM 0 H CYS B 85 148.534 -5.806 -1.015 1.00 0.00 H new ATOM 0 HA CYS B 85 145.939 -6.683 -0.194 1.00 0.00 H new ATOM 0 HB2 CYS B 85 147.268 -6.017 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS B 85 145.592 -6.524 -2.785 1.00 0.00 H new ATOM 0 HG CYS B 85 145.648 -3.675 -2.787 1.00 0.00 H new ATOM 2750 N ASP B 86 147.740 -8.855 -1.888 1.00 0.00 N ATOM 2751 CA ASP B 86 147.815 -10.297 -2.257 1.00 0.00 C ATOM 2752 C ASP B 86 147.687 -11.170 -1.005 1.00 0.00 C ATOM 2753 O ASP B 86 147.132 -12.251 -1.047 1.00 0.00 O ATOM 2754 CB ASP B 86 149.154 -10.580 -2.942 1.00 0.00 C ATOM 2755 CG ASP B 86 149.169 -9.922 -4.323 1.00 0.00 C ATOM 2756 OD1 ASP B 86 148.099 -9.730 -4.878 1.00 0.00 O ATOM 2757 OD2 ASP B 86 150.249 -9.619 -4.803 1.00 0.00 O ATOM 0 H ASP B 86 148.566 -8.307 -2.129 1.00 0.00 H new ATOM 0 HA ASP B 86 146.997 -10.532 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP B 86 149.974 -10.195 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP B 86 149.306 -11.655 -3.038 1.00 0.00 H new ATOM 2762 N ALA B 87 148.219 -10.724 0.103 1.00 0.00 N ATOM 2763 CA ALA B 87 148.153 -11.546 1.348 1.00 0.00 C ATOM 2764 C ALA B 87 146.847 -11.275 2.095 1.00 0.00 C ATOM 2765 O ALA B 87 146.280 -12.165 2.698 1.00 0.00 O ATOM 2766 CB ALA B 87 149.332 -11.186 2.256 1.00 0.00 C ATOM 0 H ALA B 87 148.696 -9.827 0.200 1.00 0.00 H new ATOM 0 HA ALA B 87 148.197 -12.601 1.076 1.00 0.00 H new ATOM 0 HB1 ALA B 87 149.287 -11.785 3.166 1.00 0.00 H new ATOM 0 HB2 ALA B 87 150.268 -11.388 1.735 1.00 0.00 H new ATOM 0 HB3 ALA B 87 149.282 -10.128 2.515 1.00 0.00 H new ATOM 2772 N PHE B 88 146.380 -10.051 2.091 1.00 0.00 N ATOM 2773 CA PHE B 88 145.126 -9.720 2.835 1.00 0.00 C ATOM 2774 C PHE B 88 143.968 -9.515 1.862 1.00 0.00 C ATOM 2775 O PHE B 88 143.225 -10.431 1.569 1.00 0.00 O ATOM 2776 CB PHE B 88 145.346 -8.435 3.634 1.00 0.00 C ATOM 2777 CG PHE B 88 146.371 -8.689 4.713 1.00 0.00 C ATOM 2778 CD1 PHE B 88 145.984 -9.303 5.910 1.00 0.00 C ATOM 2779 CD2 PHE B 88 147.707 -8.317 4.517 1.00 0.00 C ATOM 2780 CE1 PHE B 88 146.932 -9.544 6.911 1.00 0.00 C ATOM 2781 CE2 PHE B 88 148.655 -8.557 5.519 1.00 0.00 C ATOM 2782 CZ PHE B 88 148.267 -9.170 6.716 1.00 0.00 C ATOM 0 H PHE B 88 146.813 -9.266 1.604 1.00 0.00 H new ATOM 0 HA PHE B 88 144.881 -10.544 3.505 1.00 0.00 H new ATOM 0 HB2 PHE B 88 145.685 -7.636 2.974 1.00 0.00 H new ATOM 0 HB3 PHE B 88 144.407 -8.104 4.078 1.00 0.00 H new ATOM 0 HD1 PHE B 88 144.954 -9.591 6.061 1.00 0.00 H new ATOM 0 HD2 PHE B 88 148.006 -7.845 3.593 1.00 0.00 H new ATOM 0 HE1 PHE B 88 146.634 -10.019 7.834 1.00 0.00 H new ATOM 0 HE2 PHE B 88 149.685 -8.269 5.368 1.00 0.00 H new ATOM 0 HZ PHE B 88 148.998 -9.355 7.490 1.00 0.00 H new ATOM 2792 N LEU B 89 143.801 -8.323 1.353 1.00 0.00 N ATOM 2793 CA LEU B 89 142.686 -8.059 0.394 1.00 0.00 C ATOM 2794 C LEU B 89 143.164 -8.357 -1.028 1.00 0.00 C ATOM 2795 O LEU B 89 143.915 -7.558 -1.555 1.00 0.00 O ATOM 2796 CB LEU B 89 142.265 -6.586 0.510 1.00 0.00 C ATOM 2797 CG LEU B 89 141.322 -6.201 -0.639 1.00 0.00 C ATOM 2798 CD1 LEU B 89 140.184 -7.221 -0.747 1.00 0.00 C ATOM 2799 CD2 LEU B 89 140.734 -4.813 -0.363 1.00 0.00 C ATOM 2800 OXT LEU B 89 142.770 -9.380 -1.564 1.00 0.00 O ATOM 0 H LEU B 89 144.391 -7.517 1.561 1.00 0.00 H new ATOM 0 HA LEU B 89 141.833 -8.697 0.625 1.00 0.00 H new ATOM 0 HB2 LEU B 89 141.769 -6.418 1.466 1.00 0.00 H new ATOM 0 HB3 LEU B 89 143.148 -5.947 0.492 1.00 0.00 H new ATOM 0 HG LEU B 89 141.881 -6.189 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU B 89 139.520 -6.940 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU B 89 140.599 -8.210 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU B 89 139.622 -7.239 0.187 1.00 0.00 H new ATOM 0 HD21 LEU B 89 140.063 -4.534 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU B 89 140.179 -4.833 0.575 1.00 0.00 H new ATOM 0 HD23 LEU B 89 141.541 -4.084 -0.292 1.00 0.00 H new TER 2812 LEU B 89