USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=40 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 Single : A 1 MET CE :methyl 149:sc= -0.256 (180deg=-1.44!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-4.7!) USER MOD Single : A 15 MET CE :methyl -141:sc= -4.91! (180deg=-8.96!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -150:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0254 (180deg=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0.00121 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.134 (180deg=-0.922) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.32) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.0664 (180deg=-0.713) 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= 0.857 USER MOD Single : A 67 CYS SG : rot -46:sc= 0.955 USER MOD Single : A 70 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.4) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.0422 (180deg=-0.496) USER MOD Single : A 73 GLN :FLIP amide:sc= 0.173 F(o=-0.63,f=0.17) USER MOD Single : A 74 SER OG : rot -58:sc= 0.366 USER MOD Single : A 77 CYS SG : rot -17:sc= 0.283 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.12 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 152:sc= -0.258 (180deg=-1.45!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -2.96! C(o=-3!,f=-4.5!) USER MOD Single : B 15 MET CE :methyl -149:sc= -4.86! (180deg=-8.93!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -150:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -164:sc= -0.0142 (180deg=-0.288) USER MOD Single : B 33 LYS NZ :NH3+ 150:sc=0.000892 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 160:sc= -0.111 (180deg=-0.857) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.33) USER MOD Single : B 53 LYS NZ :NH3+ -160:sc= -0.0676 (180deg=-0.809) 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 74:sc= 0.773 USER MOD Single : B 67 CYS SG : rot -53:sc= 1.07 USER MOD Single : B 70 ASN : amide:sc= -1.01 K(o=-1,f=-2.2) USER MOD Single : B 72 LYS NZ :NH3+ -161:sc= -0.0482 (180deg=-0.514) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.121 F(o=-0.65,f=-0.12) USER MOD Single : B 74 SER OG : rot -58:sc= 0.359 USER MOD Single : B 77 CYS SG : rot -22:sc= 0.252 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.128 USER MOD Single : B 85 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.847 -10.727 11.400 1.00 0.00 N ATOM 2 CA MET A 1 114.707 -10.874 12.608 1.00 0.00 C ATOM 3 C MET A 1 116.159 -11.096 12.172 1.00 0.00 C ATOM 4 O MET A 1 117.003 -10.239 12.341 1.00 0.00 O ATOM 5 CB MET A 1 114.221 -12.069 13.435 1.00 0.00 C ATOM 6 CG MET A 1 115.017 -12.159 14.743 1.00 0.00 C ATOM 7 SD MET A 1 114.620 -10.740 15.799 1.00 0.00 S ATOM 8 CE MET A 1 112.878 -11.136 16.111 1.00 0.00 C ATOM 0 H1 MET A 1 112.860 -10.576 11.692 1.00 0.00 H new ATOM 0 H2 MET A 1 114.171 -9.912 10.840 1.00 0.00 H new ATOM 0 H3 MET A 1 113.909 -11.590 10.823 1.00 0.00 H new ATOM 0 HA MET A 1 114.649 -9.971 13.215 1.00 0.00 H new ATOM 0 HB2 MET A 1 113.158 -11.963 13.653 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.339 -12.990 12.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.779 -13.088 15.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.086 -12.178 14.529 1.00 0.00 H new ATOM 0 HE1 MET A 1 112.593 -10.771 17.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.255 -10.659 15.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.737 -12.216 16.069 1.00 0.00 H new ATOM 20 N THR A 2 116.459 -12.238 11.613 1.00 0.00 N ATOM 21 CA THR A 2 117.859 -12.503 11.173 1.00 0.00 C ATOM 22 C THR A 2 118.169 -11.683 9.917 1.00 0.00 C ATOM 23 O THR A 2 117.283 -11.264 9.202 1.00 0.00 O ATOM 24 CB THR A 2 118.027 -13.994 10.859 1.00 0.00 C ATOM 25 OG1 THR A 2 117.118 -14.365 9.832 1.00 0.00 O ATOM 26 CG2 THR A 2 117.748 -14.821 12.115 1.00 0.00 C ATOM 0 H THR A 2 115.798 -12.996 11.443 1.00 0.00 H new ATOM 0 HA THR A 2 118.545 -12.219 11.971 1.00 0.00 H new ATOM 0 HB THR A 2 119.048 -14.181 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 2 117.225 -15.318 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.868 -15.880 11.887 1.00 0.00 H new ATOM 0 HG22 THR A 2 118.448 -14.537 12.901 1.00 0.00 H new ATOM 0 HG23 THR A 2 116.728 -14.636 12.453 1.00 0.00 H new ATOM 34 N THR A 3 119.426 -11.455 9.646 1.00 0.00 N ATOM 35 CA THR A 3 119.802 -10.668 8.438 1.00 0.00 C ATOM 36 C THR A 3 119.759 -11.573 7.206 1.00 0.00 C ATOM 37 O THR A 3 119.637 -12.776 7.314 1.00 0.00 O ATOM 38 CB THR A 3 121.220 -10.115 8.609 1.00 0.00 C ATOM 39 OG1 THR A 3 122.135 -11.194 8.734 1.00 0.00 O ATOM 40 CG2 THR A 3 121.284 -9.240 9.862 1.00 0.00 C ATOM 0 H THR A 3 120.210 -11.781 10.211 1.00 0.00 H new ATOM 0 HA THR A 3 119.101 -9.843 8.311 1.00 0.00 H new ATOM 0 HB THR A 3 121.482 -9.514 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 3 123.043 -10.842 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 3 122.294 -8.848 9.981 1.00 0.00 H new ATOM 0 HG22 THR A 3 120.583 -8.412 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 3 121.021 -9.836 10.736 1.00 0.00 H new ATOM 48 N SER A 4 119.867 -11.006 6.037 1.00 0.00 N ATOM 49 CA SER A 4 119.842 -11.842 4.805 1.00 0.00 C ATOM 50 C SER A 4 121.127 -12.673 4.753 1.00 0.00 C ATOM 51 O SER A 4 122.105 -12.370 5.407 1.00 0.00 O ATOM 52 CB SER A 4 119.764 -10.934 3.575 1.00 0.00 C ATOM 53 OG SER A 4 120.994 -10.237 3.427 1.00 0.00 O ATOM 0 H SER A 4 119.971 -10.003 5.882 1.00 0.00 H new ATOM 0 HA SER A 4 118.974 -12.502 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 4 119.559 -11.527 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 4 118.942 -10.226 3.683 1.00 0.00 H new ATOM 0 HG SER A 4 120.948 -9.656 2.639 1.00 0.00 H new ATOM 59 N GLN A 5 121.116 -13.735 3.995 1.00 0.00 N ATOM 60 CA GLN A 5 122.318 -14.615 3.909 1.00 0.00 C ATOM 61 C GLN A 5 123.524 -13.846 3.368 1.00 0.00 C ATOM 62 O GLN A 5 124.654 -14.205 3.630 1.00 0.00 O ATOM 63 CB GLN A 5 122.025 -15.809 2.998 1.00 0.00 C ATOM 64 CG GLN A 5 121.048 -16.760 3.695 1.00 0.00 C ATOM 65 CD GLN A 5 120.758 -17.952 2.782 1.00 0.00 C ATOM 66 OE1 GLN A 5 121.076 -17.884 1.518 1.00 0.00 O flip ATOM 67 NE2 GLN A 5 120.239 -18.959 3.223 1.00 0.00 N flip ATOM 0 H GLN A 5 120.322 -14.033 3.428 1.00 0.00 H new ATOM 0 HA GLN A 5 122.553 -14.967 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 5 121.602 -15.464 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 5 122.951 -16.333 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 5 121.471 -17.105 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 5 120.122 -16.237 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 5 119.990 -19.014 4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 5 120.053 -19.749 2.605 1.00 0.00 H new ATOM 76 N LYS A 6 123.315 -12.803 2.611 1.00 0.00 N ATOM 77 CA LYS A 6 124.473 -12.044 2.064 1.00 0.00 C ATOM 78 C LYS A 6 125.297 -11.446 3.204 1.00 0.00 C ATOM 79 O LYS A 6 126.511 -11.411 3.148 1.00 0.00 O ATOM 80 CB LYS A 6 123.968 -10.904 1.176 1.00 0.00 C ATOM 81 CG LYS A 6 123.363 -11.468 -0.111 1.00 0.00 C ATOM 82 CD LYS A 6 122.865 -10.310 -0.980 1.00 0.00 C ATOM 83 CE LYS A 6 122.256 -10.858 -2.273 1.00 0.00 C ATOM 84 NZ LYS A 6 121.770 -9.722 -3.107 1.00 0.00 N ATOM 0 H LYS A 6 122.396 -12.446 2.349 1.00 0.00 H new ATOM 0 HA LYS A 6 125.093 -12.727 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 123.221 -10.319 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 6 124.789 -10.229 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 6 124.108 -12.051 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 6 122.540 -12.142 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 6 122.122 -9.728 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 6 123.690 -9.637 -1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 6 122.999 -11.436 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 6 121.433 -11.534 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 121.355 -10.090 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 121.049 -9.189 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 122.567 -9.094 -3.336 1.00 0.00 H new ATOM 98 N HIS A 7 124.659 -10.946 4.224 1.00 0.00 N ATOM 99 CA HIS A 7 125.430 -10.322 5.335 1.00 0.00 C ATOM 100 C HIS A 7 126.381 -11.334 5.975 1.00 0.00 C ATOM 101 O HIS A 7 127.562 -11.084 6.116 1.00 0.00 O ATOM 102 CB HIS A 7 124.460 -9.791 6.398 1.00 0.00 C ATOM 103 CG HIS A 7 125.239 -9.291 7.587 1.00 0.00 C ATOM 104 ND1 HIS A 7 125.727 -7.994 7.668 1.00 0.00 N ATOM 105 CD2 HIS A 7 125.637 -9.915 8.744 1.00 0.00 C ATOM 106 CE1 HIS A 7 126.385 -7.880 8.838 1.00 0.00 C ATOM 107 NE2 HIS A 7 126.358 -9.022 9.528 1.00 0.00 N ATOM 0 H HIS A 7 123.645 -10.942 4.337 1.00 0.00 H new ATOM 0 HA HIS A 7 126.020 -9.501 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 7 123.854 -8.986 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 7 123.774 -10.580 6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 7 125.423 -10.941 9.004 1.00 0.00 H new ATOM 0 HE1 HIS A 7 126.873 -6.978 9.175 1.00 0.00 H new ATOM 0 HE2 HIS A 7 126.778 -9.202 10.440 1.00 0.00 H new ATOM 115 N ARG A 8 125.883 -12.477 6.373 1.00 0.00 N ATOM 116 CA ARG A 8 126.757 -13.496 7.012 1.00 0.00 C ATOM 117 C ARG A 8 127.706 -14.087 5.975 1.00 0.00 C ATOM 118 O ARG A 8 128.837 -14.420 6.265 1.00 0.00 O ATOM 119 CB ARG A 8 125.885 -14.614 7.594 1.00 0.00 C ATOM 120 CG ARG A 8 124.982 -14.059 8.706 1.00 0.00 C ATOM 121 CD ARG A 8 125.772 -13.895 10.012 1.00 0.00 C ATOM 122 NE ARG A 8 124.827 -13.586 11.121 1.00 0.00 N ATOM 123 CZ ARG A 8 125.221 -13.683 12.360 1.00 0.00 C ATOM 124 NH1 ARG A 8 126.439 -14.066 12.628 1.00 0.00 N ATOM 125 NH2 ARG A 8 124.397 -13.399 13.331 1.00 0.00 N ATOM 0 H ARG A 8 124.903 -12.746 6.281 1.00 0.00 H new ATOM 0 HA ARG A 8 127.338 -13.027 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 8 125.274 -15.056 6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 8 126.517 -15.408 7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 8 124.570 -13.097 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 8 124.139 -14.731 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 8 126.325 -14.808 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 8 126.505 -13.095 9.909 1.00 0.00 H new ATOM 0 HE ARG A 8 123.871 -13.298 10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 8 127.082 -14.289 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 8 126.748 -14.142 13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 8 123.444 -13.101 13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 8 124.705 -13.475 14.300 1.00 0.00 H new ATOM 139 N ASP A 9 127.249 -14.217 4.768 1.00 0.00 N ATOM 140 CA ASP A 9 128.111 -14.783 3.700 1.00 0.00 C ATOM 141 C ASP A 9 129.210 -13.787 3.324 1.00 0.00 C ATOM 142 O ASP A 9 130.335 -14.159 3.067 1.00 0.00 O ATOM 143 CB ASP A 9 127.255 -15.107 2.477 1.00 0.00 C ATOM 144 CG ASP A 9 126.351 -16.299 2.794 1.00 0.00 C ATOM 145 OD1 ASP A 9 126.743 -17.112 3.615 1.00 0.00 O ATOM 146 OD2 ASP A 9 125.281 -16.378 2.214 1.00 0.00 O ATOM 0 H ASP A 9 126.309 -13.954 4.472 1.00 0.00 H new ATOM 0 HA ASP A 9 128.582 -15.696 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 9 126.652 -14.242 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 9 127.892 -15.336 1.623 1.00 0.00 H new ATOM 151 N PHE A 10 128.892 -12.524 3.272 1.00 0.00 N ATOM 152 CA PHE A 10 129.923 -11.518 2.886 1.00 0.00 C ATOM 153 C PHE A 10 130.993 -11.408 3.981 1.00 0.00 C ATOM 154 O PHE A 10 132.168 -11.283 3.698 1.00 0.00 O ATOM 155 CB PHE A 10 129.245 -10.159 2.685 1.00 0.00 C ATOM 156 CG PHE A 10 130.220 -9.183 2.067 1.00 0.00 C ATOM 157 CD1 PHE A 10 130.328 -9.089 0.674 1.00 0.00 C ATOM 158 CD2 PHE A 10 131.007 -8.364 2.886 1.00 0.00 C ATOM 159 CE1 PHE A 10 131.224 -8.179 0.100 1.00 0.00 C ATOM 160 CE2 PHE A 10 131.904 -7.455 2.312 1.00 0.00 C ATOM 161 CZ PHE A 10 132.013 -7.363 0.917 1.00 0.00 C ATOM 0 H PHE A 10 127.968 -12.145 3.479 1.00 0.00 H new ATOM 0 HA PHE A 10 130.404 -11.831 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 10 128.372 -10.270 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 10 128.890 -9.775 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 10 129.720 -9.719 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 10 130.922 -8.434 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 10 131.306 -8.107 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 10 132.512 -6.825 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 10 132.706 -6.663 0.474 1.00 0.00 H new ATOM 171 N VAL A 11 130.599 -11.444 5.227 1.00 0.00 N ATOM 172 CA VAL A 11 131.598 -11.328 6.335 1.00 0.00 C ATOM 173 C VAL A 11 132.201 -12.702 6.657 1.00 0.00 C ATOM 174 O VAL A 11 132.826 -12.882 7.683 1.00 0.00 O ATOM 175 CB VAL A 11 130.906 -10.776 7.588 1.00 0.00 C ATOM 176 CG1 VAL A 11 130.155 -9.485 7.239 1.00 0.00 C ATOM 177 CG2 VAL A 11 129.922 -11.819 8.130 1.00 0.00 C ATOM 0 H VAL A 11 129.630 -11.549 5.527 1.00 0.00 H new ATOM 0 HA VAL A 11 132.395 -10.655 6.021 1.00 0.00 H new ATOM 0 HB VAL A 11 131.655 -10.557 8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 11 129.665 -9.096 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 11 130.860 -8.745 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 11 129.405 -9.695 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 11 129.430 -11.427 9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 11 129.173 -12.042 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 11 130.462 -12.731 8.386 1.00 0.00 H new ATOM 187 N ALA A 12 132.003 -13.675 5.799 1.00 0.00 N ATOM 188 CA ALA A 12 132.548 -15.050 6.058 1.00 0.00 C ATOM 189 C ALA A 12 133.569 -15.431 4.983 1.00 0.00 C ATOM 190 O ALA A 12 134.237 -16.441 5.087 1.00 0.00 O ATOM 191 CB ALA A 12 131.398 -16.056 6.026 1.00 0.00 C ATOM 0 H ALA A 12 131.485 -13.577 4.926 1.00 0.00 H new ATOM 0 HA ALA A 12 133.036 -15.059 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 12 131.785 -17.057 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 12 130.669 -15.799 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 12 130.919 -16.030 5.047 1.00 0.00 H new ATOM 197 N GLU A 13 133.706 -14.639 3.956 1.00 0.00 N ATOM 198 CA GLU A 13 134.697 -14.973 2.889 1.00 0.00 C ATOM 199 C GLU A 13 135.134 -13.686 2.173 1.00 0.00 C ATOM 200 O GLU A 13 134.379 -12.736 2.105 1.00 0.00 O ATOM 201 CB GLU A 13 134.051 -15.924 1.879 1.00 0.00 C ATOM 202 CG GLU A 13 132.639 -15.436 1.557 1.00 0.00 C ATOM 203 CD GLU A 13 132.114 -16.161 0.317 1.00 0.00 C ATOM 204 OE1 GLU A 13 132.702 -17.163 -0.053 1.00 0.00 O ATOM 205 OE2 GLU A 13 131.131 -15.701 -0.241 1.00 0.00 O ATOM 0 H GLU A 13 133.179 -13.779 3.808 1.00 0.00 H new ATOM 0 HA GLU A 13 135.568 -15.451 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.649 -15.968 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.015 -16.935 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 13 131.978 -15.619 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 13 132.646 -14.360 1.385 1.00 0.00 H new ATOM 212 N PRO A 14 136.324 -13.652 1.618 1.00 0.00 N ATOM 213 CA PRO A 14 136.819 -12.458 0.877 1.00 0.00 C ATOM 214 C PRO A 14 135.730 -11.840 -0.010 1.00 0.00 C ATOM 215 O PRO A 14 134.754 -12.481 -0.348 1.00 0.00 O ATOM 216 CB PRO A 14 137.959 -13.017 0.022 1.00 0.00 C ATOM 217 CG PRO A 14 138.508 -14.162 0.816 1.00 0.00 C ATOM 218 CD PRO A 14 137.335 -14.731 1.634 1.00 0.00 C ATOM 0 HA PRO A 14 137.131 -11.657 1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 14 137.597 -13.348 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 14 138.723 -12.261 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 14 138.928 -14.924 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 14 139.312 -13.829 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 14 136.947 -15.647 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 14 137.641 -14.975 2.651 1.00 0.00 H new ATOM 226 N MET A 15 135.891 -10.600 -0.388 1.00 0.00 N ATOM 227 CA MET A 15 134.870 -9.937 -1.254 1.00 0.00 C ATOM 228 C MET A 15 135.243 -10.133 -2.729 1.00 0.00 C ATOM 229 O MET A 15 134.420 -10.001 -3.613 1.00 0.00 O ATOM 230 CB MET A 15 134.838 -8.442 -0.931 1.00 0.00 C ATOM 231 CG MET A 15 136.271 -7.914 -0.852 1.00 0.00 C ATOM 232 SD MET A 15 136.253 -6.103 -0.849 1.00 0.00 S ATOM 233 CE MET A 15 136.075 -5.869 0.938 1.00 0.00 C ATOM 0 H MET A 15 136.687 -10.015 -0.134 1.00 0.00 H new ATOM 0 HA MET A 15 133.890 -10.376 -1.069 1.00 0.00 H new ATOM 0 HB2 MET A 15 134.281 -7.904 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 15 134.323 -8.273 0.015 1.00 0.00 H new ATOM 0 HG2 MET A 15 136.756 -8.284 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 15 136.851 -8.280 -1.699 1.00 0.00 H new ATOM 0 HE1 MET A 15 135.398 -5.037 1.130 1.00 0.00 H new ATOM 0 HE2 MET A 15 135.670 -6.777 1.385 1.00 0.00 H new ATOM 0 HE3 MET A 15 137.050 -5.653 1.375 1.00 0.00 H new ATOM 243 N GLY A 16 136.482 -10.453 -2.995 1.00 0.00 N ATOM 244 CA GLY A 16 136.924 -10.666 -4.406 1.00 0.00 C ATOM 245 C GLY A 16 136.487 -9.485 -5.277 1.00 0.00 C ATOM 246 O GLY A 16 136.548 -8.344 -4.867 1.00 0.00 O ATOM 0 H GLY A 16 137.211 -10.577 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 16 138.008 -10.774 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 16 136.498 -11.591 -4.793 1.00 0.00 H new ATOM 250 N GLU A 17 136.061 -9.755 -6.489 1.00 0.00 N ATOM 251 CA GLU A 17 135.635 -8.658 -7.418 1.00 0.00 C ATOM 252 C GLU A 17 134.111 -8.634 -7.540 1.00 0.00 C ATOM 253 O GLU A 17 133.571 -8.246 -8.557 1.00 0.00 O ATOM 254 CB GLU A 17 136.247 -8.901 -8.800 1.00 0.00 C ATOM 255 CG GLU A 17 137.758 -8.667 -8.738 1.00 0.00 C ATOM 256 CD GLU A 17 138.394 -9.056 -10.074 1.00 0.00 C ATOM 257 OE1 GLU A 17 137.655 -9.388 -10.986 1.00 0.00 O ATOM 258 OE2 GLU A 17 139.611 -9.020 -10.161 1.00 0.00 O ATOM 0 H GLU A 17 135.990 -10.695 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 17 135.977 -7.702 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 17 136.039 -9.920 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 17 135.795 -8.232 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 137.965 -7.620 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 17 138.194 -9.256 -7.931 1.00 0.00 H new ATOM 265 N LYS A 18 133.409 -9.039 -6.516 1.00 0.00 N ATOM 266 CA LYS A 18 131.923 -9.027 -6.595 1.00 0.00 C ATOM 267 C LYS A 18 131.462 -7.578 -6.815 1.00 0.00 C ATOM 268 O LYS A 18 132.115 -6.650 -6.381 1.00 0.00 O ATOM 269 CB LYS A 18 131.338 -9.568 -5.286 1.00 0.00 C ATOM 270 CG LYS A 18 131.539 -11.087 -5.228 1.00 0.00 C ATOM 271 CD LYS A 18 130.844 -11.661 -3.986 1.00 0.00 C ATOM 272 CE LYS A 18 131.687 -11.391 -2.733 1.00 0.00 C ATOM 273 NZ LYS A 18 131.145 -12.187 -1.594 1.00 0.00 N ATOM 0 H LYS A 18 133.798 -9.375 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 18 131.582 -9.654 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 18 131.824 -9.093 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 18 130.277 -9.328 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 18 131.135 -11.550 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 18 132.603 -11.321 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 18 129.857 -11.212 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 130.694 -12.734 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 18 132.728 -11.659 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 18 131.669 -10.328 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 131.714 -12.007 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 130.158 -11.911 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 131.184 -13.199 -1.828 1.00 0.00 H new ATOM 287 N PRO A 19 130.359 -7.375 -7.500 1.00 0.00 N ATOM 288 CA PRO A 19 129.842 -6.002 -7.791 1.00 0.00 C ATOM 289 C PRO A 19 129.431 -5.242 -6.524 1.00 0.00 C ATOM 290 O PRO A 19 129.125 -5.825 -5.502 1.00 0.00 O ATOM 291 CB PRO A 19 128.632 -6.245 -8.714 1.00 0.00 C ATOM 292 CG PRO A 19 128.213 -7.657 -8.446 1.00 0.00 C ATOM 293 CD PRO A 19 129.486 -8.416 -8.070 1.00 0.00 C ATOM 0 HA PRO A 19 130.607 -5.374 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 19 127.824 -5.546 -8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 19 128.901 -6.106 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 127.482 -7.699 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 19 127.743 -8.097 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 19 129.282 -9.207 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 19 129.942 -8.889 -8.940 1.00 0.00 H new ATOM 301 N VAL A 20 129.437 -3.939 -6.593 1.00 0.00 N ATOM 302 CA VAL A 20 129.067 -3.116 -5.410 1.00 0.00 C ATOM 303 C VAL A 20 127.711 -3.563 -4.857 1.00 0.00 C ATOM 304 O VAL A 20 127.518 -3.668 -3.662 1.00 0.00 O ATOM 305 CB VAL A 20 128.989 -1.639 -5.821 1.00 0.00 C ATOM 306 CG1 VAL A 20 128.053 -1.479 -7.022 1.00 0.00 C ATOM 307 CG2 VAL A 20 128.449 -0.808 -4.654 1.00 0.00 C ATOM 0 H VAL A 20 129.685 -3.406 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 20 129.825 -3.245 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 20 129.988 -1.295 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 20 128.003 -0.428 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 20 128.432 -2.065 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 20 127.056 -1.830 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 20 128.395 0.240 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 20 127.454 -1.162 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 20 129.114 -0.910 -3.796 1.00 0.00 H new ATOM 317 N GLY A 21 126.763 -3.803 -5.725 1.00 0.00 N ATOM 318 CA GLY A 21 125.406 -4.217 -5.268 1.00 0.00 C ATOM 319 C GLY A 21 125.489 -5.488 -4.421 1.00 0.00 C ATOM 320 O GLY A 21 124.494 -5.957 -3.904 1.00 0.00 O ATOM 0 H GLY A 21 126.873 -3.729 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 21 124.951 -3.415 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 124.762 -4.389 -6.131 1.00 0.00 H new ATOM 324 N SER A 22 126.653 -6.056 -4.264 1.00 0.00 N ATOM 325 CA SER A 22 126.765 -7.292 -3.439 1.00 0.00 C ATOM 326 C SER A 22 126.825 -6.901 -1.961 1.00 0.00 C ATOM 327 O SER A 22 126.540 -7.694 -1.087 1.00 0.00 O ATOM 328 CB SER A 22 128.039 -8.049 -3.822 1.00 0.00 C ATOM 329 OG SER A 22 128.185 -9.181 -2.975 1.00 0.00 O ATOM 0 H SER A 22 127.527 -5.720 -4.669 1.00 0.00 H new ATOM 0 HA SER A 22 125.901 -7.933 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 22 127.989 -8.364 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 22 128.906 -7.396 -3.728 1.00 0.00 H new ATOM 0 HG SER A 22 129.137 -9.383 -2.861 1.00 0.00 H new ATOM 335 N LEU A 23 127.193 -5.681 -1.679 1.00 0.00 N ATOM 336 CA LEU A 23 127.270 -5.233 -0.261 1.00 0.00 C ATOM 337 C LEU A 23 125.868 -5.222 0.350 1.00 0.00 C ATOM 338 O LEU A 23 124.904 -4.830 -0.277 1.00 0.00 O ATOM 339 CB LEU A 23 127.862 -3.823 -0.208 1.00 0.00 C ATOM 340 CG LEU A 23 129.287 -3.830 -0.782 1.00 0.00 C ATOM 341 CD1 LEU A 23 129.765 -2.386 -0.965 1.00 0.00 C ATOM 342 CD2 LEU A 23 130.247 -4.566 0.175 1.00 0.00 C ATOM 0 H LEU A 23 127.444 -4.975 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 23 127.904 -5.917 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 23 127.236 -3.135 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 23 127.877 -3.464 0.821 1.00 0.00 H new ATOM 0 HG LEU A 23 129.280 -4.346 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 130.776 -2.386 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 129.097 -1.866 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 129.762 -1.877 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.253 -4.563 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.256 -4.061 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.912 -5.595 0.306 1.00 0.00 H new ATOM 354 N ALA A 24 125.758 -5.648 1.571 1.00 0.00 N ATOM 355 CA ALA A 24 124.425 -5.663 2.233 1.00 0.00 C ATOM 356 C ALA A 24 123.908 -4.229 2.387 1.00 0.00 C ATOM 357 O ALA A 24 124.632 -3.328 2.765 1.00 0.00 O ATOM 358 CB ALA A 24 124.544 -6.311 3.614 1.00 0.00 C ATOM 0 H ALA A 24 126.532 -5.987 2.142 1.00 0.00 H new ATOM 0 HA ALA A 24 123.728 -6.236 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 123.567 -6.321 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 24 124.906 -7.334 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 24 125.244 -5.741 4.224 1.00 0.00 H new ATOM 364 N GLY A 25 122.653 -4.020 2.093 1.00 0.00 N ATOM 365 CA GLY A 25 122.056 -2.652 2.213 1.00 0.00 C ATOM 366 C GLY A 25 121.993 -1.993 0.833 1.00 0.00 C ATOM 367 O GLY A 25 121.213 -1.089 0.605 1.00 0.00 O ATOM 0 H GLY A 25 122.008 -4.742 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 25 121.056 -2.718 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 25 122.653 -2.042 2.891 1.00 0.00 H new ATOM 371 N ILE A 26 122.796 -2.444 -0.097 1.00 0.00 N ATOM 372 CA ILE A 26 122.770 -1.850 -1.470 1.00 0.00 C ATOM 373 C ILE A 26 121.896 -2.741 -2.351 1.00 0.00 C ATOM 374 O ILE A 26 122.219 -3.889 -2.586 1.00 0.00 O ATOM 375 CB ILE A 26 124.192 -1.809 -2.038 1.00 0.00 C ATOM 376 CG1 ILE A 26 125.131 -1.106 -1.045 1.00 0.00 C ATOM 377 CG2 ILE A 26 124.192 -1.050 -3.367 1.00 0.00 C ATOM 378 CD1 ILE A 26 124.569 0.266 -0.654 1.00 0.00 C ATOM 0 H ILE A 26 123.470 -3.199 0.034 1.00 0.00 H new ATOM 0 HA ILE A 26 122.373 -0.836 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 26 124.541 -2.829 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 26 125.255 -1.722 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 26 126.119 -0.987 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 26 125.204 -1.022 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 123.534 -1.555 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 26 123.838 -0.032 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 26 125.247 0.750 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 26 124.469 0.885 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 26 123.592 0.140 -0.188 1.00 0.00 H new ATOM 390 N GLY A 27 120.790 -2.244 -2.842 1.00 0.00 N ATOM 391 CA GLY A 27 119.912 -3.092 -3.703 1.00 0.00 C ATOM 392 C GLY A 27 120.292 -2.905 -5.172 1.00 0.00 C ATOM 393 O GLY A 27 121.184 -2.151 -5.504 1.00 0.00 O ATOM 0 H GLY A 27 120.458 -1.292 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 27 120.014 -4.140 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 27 118.867 -2.822 -3.551 1.00 0.00 H new ATOM 397 N GLU A 28 119.638 -3.612 -6.052 1.00 0.00 N ATOM 398 CA GLU A 28 119.975 -3.500 -7.498 1.00 0.00 C ATOM 399 C GLU A 28 119.808 -2.053 -7.973 1.00 0.00 C ATOM 400 O GLU A 28 120.600 -1.556 -8.749 1.00 0.00 O ATOM 401 CB GLU A 28 119.049 -4.413 -8.305 1.00 0.00 C ATOM 402 CG GLU A 28 119.403 -5.877 -8.031 1.00 0.00 C ATOM 403 CD GLU A 28 120.763 -6.204 -8.652 1.00 0.00 C ATOM 404 OE1 GLU A 28 121.208 -5.439 -9.491 1.00 0.00 O ATOM 405 OE2 GLU A 28 121.334 -7.216 -8.278 1.00 0.00 O ATOM 0 H GLU A 28 118.884 -4.263 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 28 121.012 -3.801 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 28 118.010 -4.223 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 28 119.147 -4.198 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 28 119.430 -6.060 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 28 118.636 -6.531 -8.447 1.00 0.00 H new ATOM 412 N VAL A 29 118.786 -1.368 -7.529 1.00 0.00 N ATOM 413 CA VAL A 29 118.597 0.042 -7.983 1.00 0.00 C ATOM 414 C VAL A 29 119.720 0.912 -7.416 1.00 0.00 C ATOM 415 O VAL A 29 120.294 1.732 -8.105 1.00 0.00 O ATOM 416 CB VAL A 29 117.241 0.567 -7.494 1.00 0.00 C ATOM 417 CG1 VAL A 29 117.132 2.069 -7.783 1.00 0.00 C ATOM 418 CG2 VAL A 29 116.114 -0.173 -8.219 1.00 0.00 C ATOM 0 H VAL A 29 118.082 -1.718 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 29 118.622 0.078 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 29 117.157 0.399 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 29 116.167 2.438 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 29 117.932 2.598 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 29 117.219 2.240 -8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 29 115.151 0.200 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 29 116.201 -0.007 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 116.186 -1.240 -8.010 1.00 0.00 H new ATOM 428 N LEU A 30 120.032 0.745 -6.160 1.00 0.00 N ATOM 429 CA LEU A 30 121.108 1.565 -5.537 1.00 0.00 C ATOM 430 C LEU A 30 122.455 1.195 -6.158 1.00 0.00 C ATOM 431 O LEU A 30 123.305 2.035 -6.371 1.00 0.00 O ATOM 432 CB LEU A 30 121.155 1.297 -4.029 1.00 0.00 C ATOM 433 CG LEU A 30 119.829 1.711 -3.376 1.00 0.00 C ATOM 434 CD1 LEU A 30 119.824 1.246 -1.917 1.00 0.00 C ATOM 435 CD2 LEU A 30 119.659 3.240 -3.427 1.00 0.00 C ATOM 0 H LEU A 30 119.586 0.073 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 30 120.901 2.621 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 30 121.344 0.239 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 30 121.979 1.851 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 30 119.004 1.249 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 118.885 1.536 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 30 119.928 0.162 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 30 120.655 1.709 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 30 118.714 3.517 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 30 120.481 3.716 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 30 119.662 3.572 -4.465 1.00 0.00 H new ATOM 447 N GLY A 31 122.655 -0.059 -6.442 1.00 0.00 N ATOM 448 CA GLY A 31 123.947 -0.486 -7.043 1.00 0.00 C ATOM 449 C GLY A 31 124.165 0.248 -8.367 1.00 0.00 C ATOM 450 O GLY A 31 125.267 0.641 -8.695 1.00 0.00 O ATOM 0 H GLY A 31 121.980 -0.807 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 31 124.767 -0.272 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 31 123.944 -1.563 -7.209 1.00 0.00 H new ATOM 454 N LYS A 32 123.126 0.432 -9.137 1.00 0.00 N ATOM 455 CA LYS A 32 123.280 1.133 -10.444 1.00 0.00 C ATOM 456 C LYS A 32 123.684 2.598 -10.219 1.00 0.00 C ATOM 457 O LYS A 32 124.458 3.152 -10.975 1.00 0.00 O ATOM 458 CB LYS A 32 121.958 1.079 -11.214 1.00 0.00 C ATOM 459 CG LYS A 32 121.691 -0.359 -11.668 1.00 0.00 C ATOM 460 CD LYS A 32 120.370 -0.417 -12.439 1.00 0.00 C ATOM 461 CE LYS A 32 120.100 -1.856 -12.889 1.00 0.00 C ATOM 462 NZ LYS A 32 121.094 -2.257 -13.922 1.00 0.00 N ATOM 0 H LYS A 32 122.178 0.127 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 32 124.060 0.636 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 32 121.142 1.430 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 32 122.000 1.743 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 32 122.508 -0.709 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 121.649 -1.022 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 32 119.554 -0.063 -11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 32 120.414 0.243 -13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 32 120.158 -2.531 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 32 119.090 -1.937 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 120.750 -3.099 -14.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 121.226 -1.478 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 122.002 -2.475 -13.464 1.00 0.00 H new ATOM 476 N LYS A 33 123.156 3.241 -9.211 1.00 0.00 N ATOM 477 CA LYS A 33 123.511 4.677 -8.989 1.00 0.00 C ATOM 478 C LYS A 33 124.992 4.800 -8.617 1.00 0.00 C ATOM 479 O LYS A 33 125.701 5.635 -9.139 1.00 0.00 O ATOM 480 CB LYS A 33 122.663 5.238 -7.844 1.00 0.00 C ATOM 481 CG LYS A 33 121.202 5.339 -8.285 1.00 0.00 C ATOM 482 CD LYS A 33 120.360 5.902 -7.137 1.00 0.00 C ATOM 483 CE LYS A 33 118.899 6.001 -7.580 1.00 0.00 C ATOM 484 NZ LYS A 33 118.047 6.335 -6.402 1.00 0.00 N ATOM 0 H LYS A 33 122.502 2.842 -8.538 1.00 0.00 H new ATOM 0 HA LYS A 33 123.320 5.236 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 33 122.745 4.594 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.033 6.221 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 33 121.119 5.983 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 33 120.830 4.356 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 33 120.443 5.259 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 33 120.731 6.885 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 33 118.792 6.766 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 33 118.576 5.058 -8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 117.220 6.882 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 117.728 5.457 -5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 118.598 6.899 -5.724 1.00 0.00 H new ATOM 498 N LEU A 34 125.467 3.972 -7.729 1.00 0.00 N ATOM 499 CA LEU A 34 126.905 4.042 -7.342 1.00 0.00 C ATOM 500 C LEU A 34 127.775 3.763 -8.577 1.00 0.00 C ATOM 501 O LEU A 34 128.810 4.365 -8.774 1.00 0.00 O ATOM 502 CB LEU A 34 127.192 3.013 -6.241 1.00 0.00 C ATOM 503 CG LEU A 34 126.490 3.423 -4.935 1.00 0.00 C ATOM 504 CD1 LEU A 34 126.539 2.251 -3.952 1.00 0.00 C ATOM 505 CD2 LEU A 34 127.193 4.642 -4.302 1.00 0.00 C ATOM 0 H LEU A 34 124.923 3.251 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 34 127.138 5.036 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 126.846 2.028 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 34 128.267 2.936 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 34 125.457 3.688 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 126.043 2.534 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 126.031 1.390 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 34 127.578 1.993 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 34 126.683 4.918 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 34 128.230 4.390 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 34 127.163 5.481 -4.997 1.00 0.00 H new ATOM 517 N GLU A 35 127.351 2.847 -9.398 1.00 0.00 N ATOM 518 CA GLU A 35 128.157 2.528 -10.617 1.00 0.00 C ATOM 519 C GLU A 35 128.293 3.782 -11.488 1.00 0.00 C ATOM 520 O GLU A 35 129.342 4.058 -12.033 1.00 0.00 O ATOM 521 CB GLU A 35 127.484 1.405 -11.415 1.00 0.00 C ATOM 522 CG GLU A 35 128.328 1.074 -12.654 1.00 0.00 C ATOM 523 CD GLU A 35 127.674 -0.069 -13.431 1.00 0.00 C ATOM 524 OE1 GLU A 35 126.733 -0.648 -12.915 1.00 0.00 O ATOM 525 OE2 GLU A 35 128.129 -0.351 -14.527 1.00 0.00 O ATOM 0 H GLU A 35 126.492 2.308 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 35 129.149 2.195 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 35 127.373 0.518 -10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 35 126.482 1.710 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 35 128.419 1.954 -13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 35 129.337 0.792 -12.354 1.00 0.00 H new ATOM 532 N GLU A 36 127.241 4.545 -11.620 1.00 0.00 N ATOM 533 CA GLU A 36 127.315 5.783 -12.453 1.00 0.00 C ATOM 534 C GLU A 36 128.234 6.792 -11.766 1.00 0.00 C ATOM 535 O GLU A 36 128.728 7.720 -12.374 1.00 0.00 O ATOM 536 CB GLU A 36 125.920 6.396 -12.599 1.00 0.00 C ATOM 537 CG GLU A 36 125.053 5.502 -13.488 1.00 0.00 C ATOM 538 CD GLU A 36 123.662 6.121 -13.628 1.00 0.00 C ATOM 539 OE1 GLU A 36 123.389 7.080 -12.926 1.00 0.00 O ATOM 540 OE2 GLU A 36 122.894 5.628 -14.440 1.00 0.00 O ATOM 0 H GLU A 36 126.334 4.366 -11.188 1.00 0.00 H new ATOM 0 HA GLU A 36 127.704 5.532 -13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 36 125.457 6.508 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 36 125.994 7.393 -13.032 1.00 0.00 H new ATOM 0 HG2 GLU A 36 125.514 5.390 -14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 36 124.977 4.504 -13.056 1.00 0.00 H new ATOM 547 N ARG A 37 128.445 6.621 -10.492 1.00 0.00 N ATOM 548 CA ARG A 37 129.311 7.576 -9.740 1.00 0.00 C ATOM 549 C ARG A 37 130.767 7.096 -9.778 1.00 0.00 C ATOM 550 O ARG A 37 131.650 7.733 -9.238 1.00 0.00 O ATOM 551 CB ARG A 37 128.822 7.655 -8.287 1.00 0.00 C ATOM 552 CG ARG A 37 127.451 8.350 -8.217 1.00 0.00 C ATOM 553 CD ARG A 37 127.611 9.876 -8.276 1.00 0.00 C ATOM 554 NE ARG A 37 126.272 10.512 -8.113 1.00 0.00 N ATOM 555 CZ ARG A 37 126.181 11.783 -7.837 1.00 0.00 C ATOM 556 NH1 ARG A 37 127.260 12.506 -7.717 1.00 0.00 N ATOM 557 NH2 ARG A 37 125.007 12.332 -7.684 1.00 0.00 N ATOM 0 H ARG A 37 128.055 5.860 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 37 129.256 8.564 -10.198 1.00 0.00 H new ATOM 0 HB2 ARG A 37 128.750 6.652 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 37 129.545 8.203 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 37 126.825 8.013 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 37 126.942 8.068 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 37 128.286 10.214 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 37 128.055 10.171 -9.227 1.00 0.00 H new ATOM 0 HE ARG A 37 125.426 9.952 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 37 128.177 12.077 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 37 127.186 13.500 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 37 124.163 11.767 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 37 124.933 13.326 -7.468 1.00 0.00 H new ATOM 571 N GLY A 38 131.034 5.997 -10.440 1.00 0.00 N ATOM 572 CA GLY A 38 132.446 5.502 -10.546 1.00 0.00 C ATOM 573 C GLY A 38 132.722 4.407 -9.514 1.00 0.00 C ATOM 574 O GLY A 38 133.799 4.335 -8.954 1.00 0.00 O ATOM 0 H GLY A 38 130.337 5.420 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 132.625 5.115 -11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 38 133.138 6.331 -10.396 1.00 0.00 H new ATOM 578 N PHE A 39 131.775 3.537 -9.273 1.00 0.00 N ATOM 579 CA PHE A 39 131.986 2.419 -8.298 1.00 0.00 C ATOM 580 C PHE A 39 131.471 1.118 -8.917 1.00 0.00 C ATOM 581 O PHE A 39 130.425 0.619 -8.550 1.00 0.00 O ATOM 582 CB PHE A 39 131.218 2.711 -7.013 1.00 0.00 C ATOM 583 CG PHE A 39 131.813 3.921 -6.335 1.00 0.00 C ATOM 584 CD1 PHE A 39 132.854 3.769 -5.413 1.00 0.00 C ATOM 585 CD2 PHE A 39 131.329 5.194 -6.638 1.00 0.00 C ATOM 586 CE1 PHE A 39 133.409 4.895 -4.793 1.00 0.00 C ATOM 587 CE2 PHE A 39 131.883 6.321 -6.021 1.00 0.00 C ATOM 588 CZ PHE A 39 132.924 6.172 -5.099 1.00 0.00 C ATOM 0 H PHE A 39 130.855 3.552 -9.713 1.00 0.00 H new ATOM 0 HA PHE A 39 133.047 2.325 -8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 39 130.166 2.887 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 39 131.262 1.849 -6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 39 133.229 2.784 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 39 130.525 5.310 -7.350 1.00 0.00 H new ATOM 0 HE1 PHE A 39 134.211 4.778 -4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 39 131.507 7.306 -6.257 1.00 0.00 H new ATOM 0 HZ PHE A 39 133.353 7.041 -4.623 1.00 0.00 H new ATOM 598 N ASP A 40 132.181 0.570 -9.864 1.00 0.00 N ATOM 599 CA ASP A 40 131.701 -0.690 -10.507 1.00 0.00 C ATOM 600 C ASP A 40 132.085 -1.904 -9.655 1.00 0.00 C ATOM 601 O ASP A 40 131.610 -2.999 -9.887 1.00 0.00 O ATOM 602 CB ASP A 40 132.322 -0.826 -11.900 1.00 0.00 C ATOM 603 CG ASP A 40 133.843 -0.935 -11.777 1.00 0.00 C ATOM 604 OD1 ASP A 40 134.366 -0.524 -10.754 1.00 0.00 O ATOM 605 OD2 ASP A 40 134.459 -1.431 -12.705 1.00 0.00 O ATOM 0 H ASP A 40 133.065 0.934 -10.219 1.00 0.00 H new ATOM 0 HA ASP A 40 130.615 -0.648 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 40 131.924 -1.708 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 40 132.058 0.036 -12.513 1.00 0.00 H new ATOM 610 N LYS A 41 132.950 -1.730 -8.678 1.00 0.00 N ATOM 611 CA LYS A 41 133.371 -2.890 -7.819 1.00 0.00 C ATOM 612 C LYS A 41 133.255 -2.511 -6.338 1.00 0.00 C ATOM 613 O LYS A 41 133.354 -1.359 -5.966 1.00 0.00 O ATOM 614 CB LYS A 41 134.828 -3.250 -8.128 1.00 0.00 C ATOM 615 CG LYS A 41 134.989 -3.622 -9.610 1.00 0.00 C ATOM 616 CD LYS A 41 134.522 -5.062 -9.857 1.00 0.00 C ATOM 617 CE LYS A 41 134.773 -5.428 -11.322 1.00 0.00 C ATOM 618 NZ LYS A 41 136.225 -5.293 -11.628 1.00 0.00 N ATOM 0 H LYS A 41 133.382 -0.837 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 41 132.724 -3.742 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 41 135.476 -2.407 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 41 135.143 -4.084 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 41 134.411 -2.935 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 41 136.033 -3.516 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 135.058 -5.748 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 41 133.462 -5.159 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 41 134.444 -6.449 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 41 134.191 -4.777 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 136.467 -5.898 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 136.440 -4.302 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 136.783 -5.585 -10.800 1.00 0.00 H new ATOM 632 N ALA A 42 133.028 -3.483 -5.499 1.00 0.00 N ATOM 633 CA ALA A 42 132.885 -3.212 -4.038 1.00 0.00 C ATOM 634 C ALA A 42 134.191 -2.673 -3.432 1.00 0.00 C ATOM 635 O ALA A 42 134.166 -1.809 -2.579 1.00 0.00 O ATOM 636 CB ALA A 42 132.510 -4.513 -3.324 1.00 0.00 C ATOM 0 H ALA A 42 132.934 -4.463 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 42 132.109 -2.458 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 42 132.403 -4.324 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 42 131.567 -4.888 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 42 133.292 -5.255 -3.485 1.00 0.00 H new ATOM 642 N TYR A 43 135.327 -3.192 -3.825 1.00 0.00 N ATOM 643 CA TYR A 43 136.608 -2.719 -3.214 1.00 0.00 C ATOM 644 C TYR A 43 136.820 -1.217 -3.448 1.00 0.00 C ATOM 645 O TYR A 43 137.562 -0.581 -2.724 1.00 0.00 O ATOM 646 CB TYR A 43 137.799 -3.515 -3.764 1.00 0.00 C ATOM 647 CG TYR A 43 137.989 -3.243 -5.236 1.00 0.00 C ATOM 648 CD1 TYR A 43 138.643 -2.080 -5.652 1.00 0.00 C ATOM 649 CD2 TYR A 43 137.529 -4.165 -6.183 1.00 0.00 C ATOM 650 CE1 TYR A 43 138.836 -1.834 -7.015 1.00 0.00 C ATOM 651 CE2 TYR A 43 137.722 -3.920 -7.547 1.00 0.00 C ATOM 652 CZ TYR A 43 138.375 -2.755 -7.963 1.00 0.00 C ATOM 653 OH TYR A 43 138.564 -2.513 -9.309 1.00 0.00 O ATOM 0 H TYR A 43 135.424 -3.917 -4.536 1.00 0.00 H new ATOM 0 HA TYR A 43 136.540 -2.887 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 43 138.704 -3.247 -3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 43 137.635 -4.581 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 43 139.000 -1.371 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 43 137.026 -5.065 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 43 139.340 -0.934 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 43 137.367 -4.630 -8.279 1.00 0.00 H new ATOM 0 HH TYR A 43 138.185 -3.251 -9.830 1.00 0.00 H new ATOM 663 N VAL A 44 136.170 -0.624 -4.414 1.00 0.00 N ATOM 664 CA VAL A 44 136.349 0.848 -4.617 1.00 0.00 C ATOM 665 C VAL A 44 135.501 1.563 -3.565 1.00 0.00 C ATOM 666 O VAL A 44 135.831 2.630 -3.081 1.00 0.00 O ATOM 667 CB VAL A 44 135.877 1.265 -6.016 1.00 0.00 C ATOM 668 CG1 VAL A 44 136.072 2.774 -6.196 1.00 0.00 C ATOM 669 CG2 VAL A 44 136.689 0.527 -7.081 1.00 0.00 C ATOM 0 H VAL A 44 135.532 -1.084 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 44 137.403 1.110 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 44 134.822 1.013 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 44 135.736 3.068 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 44 135.491 3.308 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 44 137.128 3.021 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 44 136.348 0.828 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 44 137.745 0.774 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 44 136.553 -0.548 -6.962 1.00 0.00 H new ATOM 679 N VAL A 45 134.405 0.949 -3.213 1.00 0.00 N ATOM 680 CA VAL A 45 133.495 1.533 -2.192 1.00 0.00 C ATOM 681 C VAL A 45 134.096 1.272 -0.815 1.00 0.00 C ATOM 682 O VAL A 45 134.052 2.108 0.066 1.00 0.00 O ATOM 683 CB VAL A 45 132.126 0.865 -2.292 1.00 0.00 C ATOM 684 CG1 VAL A 45 131.170 1.492 -1.274 1.00 0.00 C ATOM 685 CG2 VAL A 45 131.577 1.061 -3.705 1.00 0.00 C ATOM 0 H VAL A 45 134.099 0.055 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 45 133.378 2.605 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 45 132.221 -0.200 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 45 130.194 1.013 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 45 131.567 1.353 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 45 131.068 2.558 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 45 130.599 0.586 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 45 131.481 2.127 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 45 132.259 0.610 -4.426 1.00 0.00 H new ATOM 695 N LEU A 46 134.697 0.130 -0.637 1.00 0.00 N ATOM 696 CA LEU A 46 135.345 -0.171 0.665 1.00 0.00 C ATOM 697 C LEU A 46 136.415 0.900 0.882 1.00 0.00 C ATOM 698 O LEU A 46 136.617 1.391 1.973 1.00 0.00 O ATOM 699 CB LEU A 46 135.999 -1.561 0.605 1.00 0.00 C ATOM 700 CG LEU A 46 136.670 -1.908 1.953 1.00 0.00 C ATOM 701 CD1 LEU A 46 135.595 -2.190 3.019 1.00 0.00 C ATOM 702 CD2 LEU A 46 137.606 -3.132 1.784 1.00 0.00 C ATOM 0 H LEU A 46 134.767 -0.607 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 46 134.620 -0.170 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 46 135.247 -2.312 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 46 136.741 -1.585 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 46 137.270 -1.059 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 136.077 -2.434 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 134.969 -1.307 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 134.977 -3.029 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 46 138.073 -3.367 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 46 137.026 -3.989 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 46 138.378 -2.901 1.050 1.00 0.00 H new ATOM 714 N GLY A 47 137.104 1.254 -0.169 1.00 0.00 N ATOM 715 CA GLY A 47 138.172 2.285 -0.067 1.00 0.00 C ATOM 716 C GLY A 47 137.586 3.585 0.487 1.00 0.00 C ATOM 717 O GLY A 47 138.183 4.239 1.318 1.00 0.00 O ATOM 0 H GLY A 47 136.970 0.867 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 47 138.972 1.930 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 138.613 2.463 -1.048 1.00 0.00 H new ATOM 721 N GLN A 48 136.421 3.970 0.035 1.00 0.00 N ATOM 722 CA GLN A 48 135.805 5.228 0.550 1.00 0.00 C ATOM 723 C GLN A 48 135.604 5.103 2.064 1.00 0.00 C ATOM 724 O GLN A 48 135.843 6.027 2.814 1.00 0.00 O ATOM 725 CB GLN A 48 134.448 5.439 -0.129 1.00 0.00 C ATOM 726 CG GLN A 48 133.886 6.813 0.246 1.00 0.00 C ATOM 727 CD GLN A 48 134.737 7.907 -0.401 1.00 0.00 C ATOM 728 OE1 GLN A 48 134.922 7.916 -1.602 1.00 0.00 O ATOM 729 NE2 GLN A 48 135.265 8.837 0.347 1.00 0.00 N ATOM 0 H GLN A 48 135.872 3.471 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 48 136.456 6.076 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 48 134.557 5.364 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 48 133.753 4.657 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 48 132.852 6.898 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 48 133.883 6.933 1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 48 135.110 8.830 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 48 135.833 9.571 -0.077 1.00 0.00 H new ATOM 738 N PHE A 49 135.177 3.955 2.512 1.00 0.00 N ATOM 739 CA PHE A 49 134.963 3.738 3.973 1.00 0.00 C ATOM 740 C PHE A 49 136.297 3.951 4.698 1.00 0.00 C ATOM 741 O PHE A 49 136.358 4.525 5.767 1.00 0.00 O ATOM 742 CB PHE A 49 134.457 2.303 4.174 1.00 0.00 C ATOM 743 CG PHE A 49 134.135 2.034 5.630 1.00 0.00 C ATOM 744 CD1 PHE A 49 133.132 2.772 6.273 1.00 0.00 C ATOM 745 CD2 PHE A 49 134.818 1.029 6.329 1.00 0.00 C ATOM 746 CE1 PHE A 49 132.817 2.508 7.612 1.00 0.00 C ATOM 747 CE2 PHE A 49 134.503 0.767 7.667 1.00 0.00 C ATOM 748 CZ PHE A 49 133.503 1.506 8.309 1.00 0.00 C ATOM 0 H PHE A 49 134.965 3.149 1.924 1.00 0.00 H new ATOM 0 HA PHE A 49 134.229 4.436 4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 133.567 2.140 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 49 135.212 1.597 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 49 132.602 3.545 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 49 135.588 0.456 5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 49 132.045 3.078 8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 49 135.032 -0.006 8.205 1.00 0.00 H new ATOM 0 HZ PHE A 49 133.260 1.304 9.342 1.00 0.00 H new ATOM 758 N LEU A 50 137.356 3.487 4.112 1.00 0.00 N ATOM 759 CA LEU A 50 138.694 3.654 4.757 1.00 0.00 C ATOM 760 C LEU A 50 139.057 5.145 4.770 1.00 0.00 C ATOM 761 O LEU A 50 139.644 5.648 5.709 1.00 0.00 O ATOM 762 CB LEU A 50 139.759 2.894 3.957 1.00 0.00 C ATOM 763 CG LEU A 50 139.422 1.399 3.894 1.00 0.00 C ATOM 764 CD1 LEU A 50 140.510 0.678 3.093 1.00 0.00 C ATOM 765 CD2 LEU A 50 139.342 0.804 5.308 1.00 0.00 C ATOM 0 H LEU A 50 137.361 2.999 3.216 1.00 0.00 H new ATOM 0 HA LEU A 50 138.655 3.262 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 50 139.823 3.301 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 50 140.736 3.033 4.419 1.00 0.00 H new ATOM 0 HG LEU A 50 138.454 1.270 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 50 140.280 -0.386 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 50 140.552 1.089 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 50 141.474 0.818 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 50 139.102 -0.257 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 50 140.301 0.929 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 138.566 1.317 5.875 1.00 0.00 H new ATOM 777 N VAL A 51 138.734 5.841 3.718 1.00 0.00 N ATOM 778 CA VAL A 51 139.069 7.295 3.626 1.00 0.00 C ATOM 779 C VAL A 51 138.253 8.124 4.631 1.00 0.00 C ATOM 780 O VAL A 51 138.677 9.180 5.059 1.00 0.00 O ATOM 781 CB VAL A 51 138.778 7.784 2.203 1.00 0.00 C ATOM 782 CG1 VAL A 51 138.945 9.305 2.128 1.00 0.00 C ATOM 783 CG2 VAL A 51 139.757 7.121 1.234 1.00 0.00 C ATOM 0 H VAL A 51 138.246 5.463 2.906 1.00 0.00 H new ATOM 0 HA VAL A 51 140.125 7.423 3.864 1.00 0.00 H new ATOM 0 HB VAL A 51 137.754 7.522 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 51 138.736 9.644 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 51 138.251 9.782 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 51 139.967 9.573 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 51 139.555 7.465 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 51 140.778 7.386 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 51 139.638 6.039 1.280 1.00 0.00 H new ATOM 793 N LEU A 52 137.079 7.681 4.986 1.00 0.00 N ATOM 794 CA LEU A 52 136.233 8.476 5.932 1.00 0.00 C ATOM 795 C LEU A 52 136.575 8.136 7.385 1.00 0.00 C ATOM 796 O LEU A 52 135.835 8.471 8.287 1.00 0.00 O ATOM 797 CB LEU A 52 134.760 8.162 5.670 1.00 0.00 C ATOM 798 CG LEU A 52 134.390 8.578 4.239 1.00 0.00 C ATOM 799 CD1 LEU A 52 132.974 8.093 3.929 1.00 0.00 C ATOM 800 CD2 LEU A 52 134.459 10.111 4.090 1.00 0.00 C ATOM 0 H LEU A 52 136.666 6.805 4.665 1.00 0.00 H new ATOM 0 HA LEU A 52 136.427 9.536 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 52 134.575 7.097 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 52 134.132 8.691 6.387 1.00 0.00 H new ATOM 0 HG LEU A 52 135.097 8.130 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 52 132.704 8.385 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 52 132.934 7.007 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 52 132.274 8.541 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 52 134.194 10.390 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 133.761 10.576 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 52 135.471 10.453 4.308 1.00 0.00 H new ATOM 812 N LYS A 53 137.676 7.481 7.622 1.00 0.00 N ATOM 813 CA LYS A 53 138.064 7.129 9.023 1.00 0.00 C ATOM 814 C LYS A 53 136.975 6.250 9.648 1.00 0.00 C ATOM 815 O LYS A 53 136.888 6.127 10.853 1.00 0.00 O ATOM 816 CB LYS A 53 138.220 8.405 9.869 1.00 0.00 C ATOM 817 CG LYS A 53 139.121 9.420 9.153 1.00 0.00 C ATOM 818 CD LYS A 53 140.571 8.930 9.146 1.00 0.00 C ATOM 819 CE LYS A 53 141.493 10.084 8.741 1.00 0.00 C ATOM 820 NZ LYS A 53 140.851 10.876 7.654 1.00 0.00 N ATOM 0 H LYS A 53 138.330 7.171 6.904 1.00 0.00 H new ATOM 0 HA LYS A 53 139.013 6.593 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 53 137.241 8.847 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 53 138.646 8.154 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 53 138.774 9.566 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 53 139.059 10.387 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 140.846 8.559 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 53 140.683 8.099 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 53 141.693 10.723 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 142.453 9.695 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 141.573 11.440 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 140.395 10.231 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 140.136 11.511 8.063 1.00 0.00 H new ATOM 834 N LYS A 54 136.151 5.636 8.835 1.00 0.00 N ATOM 835 CA LYS A 54 135.062 4.744 9.341 1.00 0.00 C ATOM 836 C LYS A 54 134.090 5.513 10.248 1.00 0.00 C ATOM 837 O LYS A 54 133.352 4.916 11.005 1.00 0.00 O ATOM 838 CB LYS A 54 135.676 3.583 10.127 1.00 0.00 C ATOM 839 CG LYS A 54 136.713 2.877 9.255 1.00 0.00 C ATOM 840 CD LYS A 54 137.312 1.699 10.022 1.00 0.00 C ATOM 841 CE LYS A 54 138.350 0.996 9.144 1.00 0.00 C ATOM 842 NZ LYS A 54 138.974 -0.118 9.910 1.00 0.00 N ATOM 0 H LYS A 54 136.189 5.718 7.819 1.00 0.00 H new ATOM 0 HA LYS A 54 134.506 4.365 8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 54 136.143 3.953 11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 54 134.899 2.881 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 54 136.249 2.526 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 54 137.499 3.576 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 54 137.776 2.049 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 136.526 0.999 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 54 137.877 0.611 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 54 139.114 1.706 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 139.680 -0.596 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 139.439 0.262 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 138.240 -0.799 10.192 1.00 0.00 H new ATOM 856 N ASP A 55 134.043 6.815 10.171 1.00 0.00 N ATOM 857 CA ASP A 55 133.067 7.552 11.030 1.00 0.00 C ATOM 858 C ASP A 55 131.650 7.190 10.547 1.00 0.00 C ATOM 859 O ASP A 55 131.336 7.303 9.379 1.00 0.00 O ATOM 860 CB ASP A 55 133.309 9.055 10.905 1.00 0.00 C ATOM 861 CG ASP A 55 132.380 9.808 11.858 1.00 0.00 C ATOM 862 OD1 ASP A 55 131.182 9.780 11.631 1.00 0.00 O ATOM 863 OD2 ASP A 55 132.883 10.403 12.797 1.00 0.00 O ATOM 0 H ASP A 55 134.625 7.393 9.564 1.00 0.00 H new ATOM 0 HA ASP A 55 133.184 7.276 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 55 134.349 9.286 11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 55 133.132 9.377 9.879 1.00 0.00 H new ATOM 868 N GLU A 56 130.812 6.705 11.429 1.00 0.00 N ATOM 869 CA GLU A 56 129.431 6.273 11.027 1.00 0.00 C ATOM 870 C GLU A 56 128.549 7.429 10.521 1.00 0.00 C ATOM 871 O GLU A 56 127.804 7.273 9.576 1.00 0.00 O ATOM 872 CB GLU A 56 128.751 5.628 12.235 1.00 0.00 C ATOM 873 CG GLU A 56 127.410 5.026 11.810 1.00 0.00 C ATOM 874 CD GLU A 56 126.790 4.280 12.991 1.00 0.00 C ATOM 875 OE1 GLU A 56 127.401 4.271 14.048 1.00 0.00 O ATOM 876 OE2 GLU A 56 125.721 3.721 12.819 1.00 0.00 O ATOM 0 H GLU A 56 131.024 6.588 12.420 1.00 0.00 H new ATOM 0 HA GLU A 56 129.542 5.573 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 129.392 4.853 12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 56 128.596 6.371 13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 56 126.737 5.813 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 56 127.554 4.345 10.971 1.00 0.00 H new ATOM 883 N ASP A 57 128.602 8.574 11.140 1.00 0.00 N ATOM 884 CA ASP A 57 127.736 9.712 10.688 1.00 0.00 C ATOM 885 C ASP A 57 128.212 10.245 9.334 1.00 0.00 C ATOM 886 O ASP A 57 127.422 10.579 8.474 1.00 0.00 O ATOM 887 CB ASP A 57 127.780 10.830 11.733 1.00 0.00 C ATOM 888 CG ASP A 57 127.040 10.378 12.994 1.00 0.00 C ATOM 889 OD1 ASP A 57 126.180 9.520 12.878 1.00 0.00 O ATOM 890 OD2 ASP A 57 127.345 10.899 14.055 1.00 0.00 O ATOM 0 H ASP A 57 129.204 8.777 11.938 1.00 0.00 H new ATOM 0 HA ASP A 57 126.712 9.355 10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 57 128.814 11.077 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 57 127.321 11.734 11.333 1.00 0.00 H new ATOM 895 N LEU A 58 129.485 10.327 9.144 1.00 0.00 N ATOM 896 CA LEU A 58 129.990 10.843 7.839 1.00 0.00 C ATOM 897 C LEU A 58 129.701 9.811 6.746 1.00 0.00 C ATOM 898 O LEU A 58 129.361 10.153 5.632 1.00 0.00 O ATOM 899 CB LEU A 58 131.495 11.103 7.910 1.00 0.00 C ATOM 900 CG LEU A 58 131.805 12.110 9.029 1.00 0.00 C ATOM 901 CD1 LEU A 58 133.319 12.348 9.093 1.00 0.00 C ATOM 902 CD2 LEU A 58 131.086 13.444 8.756 1.00 0.00 C ATOM 0 H LEU A 58 130.200 10.065 9.822 1.00 0.00 H new ATOM 0 HA LEU A 58 129.485 11.782 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 58 132.025 10.168 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 131.851 11.488 6.954 1.00 0.00 H new ATOM 0 HG LEU A 58 131.455 11.707 9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 58 133.542 13.062 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 58 133.827 11.406 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 58 133.665 12.745 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 131.313 14.150 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 58 131.426 13.852 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 58 130.010 13.276 8.715 1.00 0.00 H new ATOM 914 N PHE A 59 129.820 8.547 7.059 1.00 0.00 N ATOM 915 CA PHE A 59 129.537 7.495 6.038 1.00 0.00 C ATOM 916 C PHE A 59 128.066 7.561 5.621 1.00 0.00 C ATOM 917 O PHE A 59 127.735 7.474 4.454 1.00 0.00 O ATOM 918 CB PHE A 59 129.842 6.113 6.622 1.00 0.00 C ATOM 919 CG PHE A 59 129.572 5.047 5.581 1.00 0.00 C ATOM 920 CD1 PHE A 59 130.409 4.937 4.465 1.00 0.00 C ATOM 921 CD2 PHE A 59 128.493 4.164 5.735 1.00 0.00 C ATOM 922 CE1 PHE A 59 130.172 3.949 3.503 1.00 0.00 C ATOM 923 CE2 PHE A 59 128.255 3.176 4.770 1.00 0.00 C ATOM 924 CZ PHE A 59 129.095 3.068 3.655 1.00 0.00 C ATOM 0 H PHE A 59 130.100 8.198 7.976 1.00 0.00 H new ATOM 0 HA PHE A 59 130.167 7.666 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 59 130.882 6.065 6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 59 129.227 5.937 7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 59 131.240 5.616 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 59 127.846 4.245 6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 59 130.820 3.866 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 59 127.423 2.497 4.886 1.00 0.00 H new ATOM 0 HZ PHE A 59 128.912 2.305 2.913 1.00 0.00 H new ATOM 934 N ARG A 60 127.178 7.686 6.573 1.00 0.00 N ATOM 935 CA ARG A 60 125.725 7.725 6.242 1.00 0.00 C ATOM 936 C ARG A 60 125.397 8.900 5.320 1.00 0.00 C ATOM 937 O ARG A 60 124.679 8.749 4.351 1.00 0.00 O ATOM 938 CB ARG A 60 124.908 7.870 7.529 1.00 0.00 C ATOM 939 CG ARG A 60 124.969 6.572 8.338 1.00 0.00 C ATOM 940 CD ARG A 60 124.300 6.795 9.697 1.00 0.00 C ATOM 941 NE ARG A 60 124.052 5.476 10.347 1.00 0.00 N ATOM 942 CZ ARG A 60 123.718 5.423 11.608 1.00 0.00 C ATOM 943 NH1 ARG A 60 123.634 6.520 12.308 1.00 0.00 N ATOM 944 NH2 ARG A 60 123.466 4.270 12.167 1.00 0.00 N ATOM 0 H ARG A 60 127.398 7.763 7.566 1.00 0.00 H new ATOM 0 HA ARG A 60 125.473 6.795 5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 60 125.295 8.697 8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 60 123.872 8.109 7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 60 124.466 5.769 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 60 126.005 6.263 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 60 124.936 7.412 10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 60 123.360 7.333 9.569 1.00 0.00 H new ATOM 0 HE ARG A 60 124.143 4.616 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 60 123.829 7.420 11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 60 123.373 6.478 13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 60 123.530 3.412 11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 60 123.205 4.227 13.152 1.00 0.00 H new ATOM 958 N GLU A 61 125.903 10.068 5.599 1.00 0.00 N ATOM 959 CA GLU A 61 125.593 11.226 4.718 1.00 0.00 C ATOM 960 C GLU A 61 126.206 10.988 3.339 1.00 0.00 C ATOM 961 O GLU A 61 125.633 11.344 2.328 1.00 0.00 O ATOM 962 CB GLU A 61 126.171 12.507 5.326 1.00 0.00 C ATOM 963 CG GLU A 61 125.383 12.880 6.583 1.00 0.00 C ATOM 964 CD GLU A 61 123.970 13.320 6.194 1.00 0.00 C ATOM 965 OE1 GLU A 61 123.788 13.717 5.056 1.00 0.00 O ATOM 966 OE2 GLU A 61 123.096 13.254 7.042 1.00 0.00 O ATOM 0 H GLU A 61 126.512 10.270 6.392 1.00 0.00 H new ATOM 0 HA GLU A 61 124.512 11.333 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 61 127.222 12.362 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 61 126.124 13.319 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 61 125.335 12.027 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 61 125.890 13.683 7.117 1.00 0.00 H new ATOM 973 N TRP A 62 127.364 10.396 3.282 1.00 0.00 N ATOM 974 CA TRP A 62 128.000 10.149 1.958 1.00 0.00 C ATOM 975 C TRP A 62 127.117 9.249 1.086 1.00 0.00 C ATOM 976 O TRP A 62 126.861 9.546 -0.062 1.00 0.00 O ATOM 977 CB TRP A 62 129.371 9.475 2.145 1.00 0.00 C ATOM 978 CG TRP A 62 129.881 9.022 0.807 1.00 0.00 C ATOM 979 CD1 TRP A 62 130.542 9.798 -0.082 1.00 0.00 C ATOM 980 CD2 TRP A 62 129.745 7.710 0.184 1.00 0.00 C ATOM 981 NE1 TRP A 62 130.821 9.046 -1.212 1.00 0.00 N ATOM 982 CE2 TRP A 62 130.352 7.752 -1.094 1.00 0.00 C ATOM 983 CE3 TRP A 62 129.161 6.499 0.601 1.00 0.00 C ATOM 984 CZ2 TRP A 62 130.377 6.633 -1.929 1.00 0.00 C ATOM 985 CZ3 TRP A 62 129.187 5.372 -0.238 1.00 0.00 C ATOM 986 CH2 TRP A 62 129.794 5.440 -1.498 1.00 0.00 C ATOM 0 H TRP A 62 127.897 10.073 4.090 1.00 0.00 H new ATOM 0 HA TRP A 62 128.126 11.112 1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 62 130.074 10.173 2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 62 129.283 8.625 2.822 1.00 0.00 H new ATOM 0 HD1 TRP A 62 130.809 10.834 0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 62 131.313 9.404 -2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 62 128.690 6.436 1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 130.844 6.690 -2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 128.736 4.448 0.091 1.00 0.00 H new ATOM 0 HH2 TRP A 62 129.811 4.569 -2.137 1.00 0.00 H new ATOM 997 N LEU A 63 126.662 8.148 1.610 1.00 0.00 N ATOM 998 CA LEU A 63 125.817 7.237 0.788 1.00 0.00 C ATOM 999 C LEU A 63 124.466 7.892 0.488 1.00 0.00 C ATOM 1000 O LEU A 63 123.990 7.872 -0.631 1.00 0.00 O ATOM 1001 CB LEU A 63 125.600 5.922 1.552 1.00 0.00 C ATOM 1002 CG LEU A 63 124.728 4.959 0.731 1.00 0.00 C ATOM 1003 CD1 LEU A 63 125.402 4.632 -0.611 1.00 0.00 C ATOM 1004 CD2 LEU A 63 124.520 3.667 1.531 1.00 0.00 C ATOM 0 H LEU A 63 126.836 7.839 2.566 1.00 0.00 H new ATOM 0 HA LEU A 63 126.322 7.034 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 63 126.562 5.457 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 63 125.123 6.126 2.511 1.00 0.00 H new ATOM 0 HG LEU A 63 123.767 5.432 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 124.770 3.949 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 125.545 5.551 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 63 126.369 4.164 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 63 123.902 2.978 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 63 125.486 3.205 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 63 124.024 3.899 2.473 1.00 0.00 H new ATOM 1016 N LYS A 64 123.838 8.462 1.475 1.00 0.00 N ATOM 1017 CA LYS A 64 122.515 9.108 1.249 1.00 0.00 C ATOM 1018 C LYS A 64 122.640 10.248 0.239 1.00 0.00 C ATOM 1019 O LYS A 64 121.883 10.340 -0.706 1.00 0.00 O ATOM 1020 CB LYS A 64 121.974 9.649 2.573 1.00 0.00 C ATOM 1021 CG LYS A 64 120.610 10.305 2.339 1.00 0.00 C ATOM 1022 CD LYS A 64 120.007 10.716 3.681 1.00 0.00 C ATOM 1023 CE LYS A 64 118.626 11.334 3.450 1.00 0.00 C ATOM 1024 NZ LYS A 64 117.920 11.472 4.755 1.00 0.00 N ATOM 0 H LYS A 64 124.184 8.509 2.433 1.00 0.00 H new ATOM 0 HA LYS A 64 121.826 8.363 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 64 121.881 8.840 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.671 10.374 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 64 120.720 11.177 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 64 119.944 9.611 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 64 119.924 9.849 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 64 120.659 11.432 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 64 118.727 12.309 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 64 118.044 10.708 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 116.981 11.892 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 117.812 10.534 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 118.474 12.086 5.386 1.00 0.00 H new ATOM 1038 N ASP A 65 123.583 11.124 0.442 1.00 0.00 N ATOM 1039 CA ASP A 65 123.751 12.269 -0.495 1.00 0.00 C ATOM 1040 C ASP A 65 124.262 11.763 -1.841 1.00 0.00 C ATOM 1041 O ASP A 65 124.061 12.385 -2.866 1.00 0.00 O ATOM 1042 CB ASP A 65 124.757 13.264 0.088 1.00 0.00 C ATOM 1043 CG ASP A 65 124.140 13.964 1.300 1.00 0.00 C ATOM 1044 OD1 ASP A 65 122.963 14.280 1.242 1.00 0.00 O ATOM 1045 OD2 ASP A 65 124.855 14.173 2.267 1.00 0.00 O ATOM 0 H ASP A 65 124.245 11.097 1.217 1.00 0.00 H new ATOM 0 HA ASP A 65 122.789 12.762 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 65 125.670 12.745 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 65 125.036 13.999 -0.667 1.00 0.00 H new ATOM 1050 N THR A 66 124.948 10.654 -1.846 1.00 0.00 N ATOM 1051 CA THR A 66 125.502 10.125 -3.122 1.00 0.00 C ATOM 1052 C THR A 66 124.425 9.393 -3.927 1.00 0.00 C ATOM 1053 O THR A 66 124.453 9.427 -5.142 1.00 0.00 O ATOM 1054 CB THR A 66 126.657 9.166 -2.816 1.00 0.00 C ATOM 1055 OG1 THR A 66 127.722 9.890 -2.216 1.00 0.00 O ATOM 1056 CG2 THR A 66 127.150 8.522 -4.114 1.00 0.00 C ATOM 0 H THR A 66 125.149 10.091 -1.020 1.00 0.00 H new ATOM 0 HA THR A 66 125.863 10.964 -3.717 1.00 0.00 H new ATOM 0 HB THR A 66 126.311 8.388 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 66 127.507 10.070 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 66 127.971 7.841 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 66 126.334 7.968 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 66 127.496 9.298 -4.797 1.00 0.00 H new ATOM 1064 N CYS A 67 123.497 8.699 -3.297 1.00 0.00 N ATOM 1065 CA CYS A 67 122.463 7.941 -4.082 1.00 0.00 C ATOM 1066 C CYS A 67 121.046 8.216 -3.576 1.00 0.00 C ATOM 1067 O CYS A 67 120.088 8.106 -4.316 1.00 0.00 O ATOM 1068 CB CYS A 67 122.745 6.443 -3.949 1.00 0.00 C ATOM 1069 SG CYS A 67 122.568 5.948 -2.217 1.00 0.00 S ATOM 0 H CYS A 67 123.412 8.626 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 67 122.523 8.267 -5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 67 122.055 5.875 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 67 123.752 6.219 -4.302 1.00 0.00 H new ATOM 0 HG CYS A 67 123.182 6.805 -1.456 1.00 0.00 H new ATOM 1075 N GLY A 68 120.897 8.554 -2.320 1.00 0.00 N ATOM 1076 CA GLY A 68 119.534 8.818 -1.758 1.00 0.00 C ATOM 1077 C GLY A 68 119.124 7.638 -0.875 1.00 0.00 C ATOM 1078 O GLY A 68 117.971 7.487 -0.525 1.00 0.00 O ATOM 0 H GLY A 68 121.664 8.659 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.538 9.740 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 68 118.814 8.953 -2.565 1.00 0.00 H new ATOM 1082 N ALA A 69 120.056 6.798 -0.511 1.00 0.00 N ATOM 1083 CA ALA A 69 119.708 5.633 0.351 1.00 0.00 C ATOM 1084 C ALA A 69 118.929 6.126 1.569 1.00 0.00 C ATOM 1085 O ALA A 69 119.057 7.262 1.981 1.00 0.00 O ATOM 1086 CB ALA A 69 120.987 4.930 0.813 1.00 0.00 C ATOM 0 H ALA A 69 121.039 6.868 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 69 119.099 4.930 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 69 120.727 4.079 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 69 121.545 4.581 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 69 121.601 5.628 1.382 1.00 0.00 H new ATOM 1092 N ASN A 70 118.112 5.288 2.145 1.00 0.00 N ATOM 1093 CA ASN A 70 117.310 5.715 3.328 1.00 0.00 C ATOM 1094 C ASN A 70 118.083 5.413 4.614 1.00 0.00 C ATOM 1095 O ASN A 70 119.111 4.767 4.600 1.00 0.00 O ATOM 1096 CB ASN A 70 115.985 4.950 3.338 1.00 0.00 C ATOM 1097 CG ASN A 70 115.021 5.602 4.329 1.00 0.00 C ATOM 1098 OD1 ASN A 70 114.955 6.811 4.426 1.00 0.00 O ATOM 1099 ND2 ASN A 70 114.262 4.846 5.073 1.00 0.00 N ATOM 0 H ASN A 70 117.964 4.324 1.847 1.00 0.00 H new ATOM 0 HA ASN A 70 117.118 6.786 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 70 115.548 4.947 2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 70 116.157 3.910 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 70 113.613 5.270 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 70 114.317 3.831 4.992 1.00 0.00 H new ATOM 1106 N ALA A 71 117.598 5.896 5.723 1.00 0.00 N ATOM 1107 CA ALA A 71 118.297 5.666 7.019 1.00 0.00 C ATOM 1108 C ALA A 71 118.408 4.169 7.320 1.00 0.00 C ATOM 1109 O ALA A 71 119.363 3.727 7.926 1.00 0.00 O ATOM 1110 CB ALA A 71 117.514 6.348 8.142 1.00 0.00 C ATOM 0 H ALA A 71 116.741 6.445 5.788 1.00 0.00 H new ATOM 0 HA ALA A 71 119.302 6.084 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 71 118.022 6.182 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 71 117.453 7.418 7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 71 116.508 5.930 8.190 1.00 0.00 H new ATOM 1116 N LYS A 72 117.442 3.384 6.929 1.00 0.00 N ATOM 1117 CA LYS A 72 117.521 1.924 7.235 1.00 0.00 C ATOM 1118 C LYS A 72 118.599 1.260 6.376 1.00 0.00 C ATOM 1119 O LYS A 72 119.339 0.410 6.834 1.00 0.00 O ATOM 1120 CB LYS A 72 116.168 1.272 6.942 1.00 0.00 C ATOM 1121 CG LYS A 72 115.136 1.747 7.967 1.00 0.00 C ATOM 1122 CD LYS A 72 113.786 1.092 7.670 1.00 0.00 C ATOM 1123 CE LYS A 72 112.751 1.567 8.692 1.00 0.00 C ATOM 1124 NZ LYS A 72 113.162 1.132 10.057 1.00 0.00 N ATOM 0 H LYS A 72 116.611 3.683 6.418 1.00 0.00 H new ATOM 0 HA LYS A 72 117.776 1.795 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 72 115.840 1.529 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 72 116.260 0.187 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 72 115.463 1.490 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 72 115.042 2.832 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 72 113.460 1.347 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 72 113.880 0.007 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 72 112.662 2.653 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.770 1.158 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.339 1.160 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 113.534 0.162 10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 113.900 1.770 10.417 1.00 0.00 H new ATOM 1138 N GLN A 73 118.678 1.624 5.124 1.00 0.00 N ATOM 1139 CA GLN A 73 119.685 1.001 4.221 1.00 0.00 C ATOM 1140 C GLN A 73 121.095 1.393 4.642 1.00 0.00 C ATOM 1141 O GLN A 73 122.024 0.617 4.533 1.00 0.00 O ATOM 1142 CB GLN A 73 119.439 1.460 2.781 1.00 0.00 C ATOM 1143 CG GLN A 73 118.047 1.013 2.330 1.00 0.00 C ATOM 1144 CD GLN A 73 117.996 -0.515 2.265 1.00 0.00 C ATOM 1145 OE1 GLN A 73 116.933 -1.139 2.695 1.00 0.00 O flip ATOM 1146 NE2 GLN A 73 118.936 -1.148 1.827 1.00 0.00 N flip ATOM 0 H GLN A 73 118.085 2.330 4.687 1.00 0.00 H new ATOM 0 HA GLN A 73 119.586 -0.083 4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 73 119.523 2.545 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 73 120.198 1.041 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 73 117.292 1.383 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 73 117.817 1.437 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 73 119.767 -0.661 1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 73 118.894 -2.167 1.795 1.00 0.00 H new ATOM 1155 N SER A 74 121.272 2.595 5.112 1.00 0.00 N ATOM 1156 CA SER A 74 122.628 3.033 5.524 1.00 0.00 C ATOM 1157 C SER A 74 123.084 2.237 6.750 1.00 0.00 C ATOM 1158 O SER A 74 124.241 1.885 6.870 1.00 0.00 O ATOM 1159 CB SER A 74 122.596 4.522 5.863 1.00 0.00 C ATOM 1160 OG SER A 74 122.079 4.695 7.176 1.00 0.00 O ATOM 0 H SER A 74 120.535 3.291 5.228 1.00 0.00 H new ATOM 0 HA SER A 74 123.327 2.858 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 74 123.599 4.943 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 74 121.977 5.057 5.143 1.00 0.00 H new ATOM 0 HG SER A 74 121.184 4.300 7.230 1.00 0.00 H new ATOM 1166 N ARG A 75 122.194 1.949 7.670 1.00 0.00 N ATOM 1167 CA ARG A 75 122.600 1.179 8.882 1.00 0.00 C ATOM 1168 C ARG A 75 123.128 -0.195 8.478 1.00 0.00 C ATOM 1169 O ARG A 75 124.062 -0.697 9.071 1.00 0.00 O ATOM 1170 CB ARG A 75 121.407 1.000 9.821 1.00 0.00 C ATOM 1171 CG ARG A 75 121.034 2.340 10.453 1.00 0.00 C ATOM 1172 CD ARG A 75 119.840 2.134 11.387 1.00 0.00 C ATOM 1173 NE ARG A 75 119.433 3.436 11.984 1.00 0.00 N ATOM 1174 CZ ARG A 75 118.267 3.544 12.559 1.00 0.00 C ATOM 1175 NH1 ARG A 75 117.467 2.514 12.605 1.00 0.00 N ATOM 1176 NH2 ARG A 75 117.900 4.678 13.087 1.00 0.00 N ATOM 0 H ARG A 75 121.210 2.214 7.632 1.00 0.00 H new ATOM 0 HA ARG A 75 123.384 1.735 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 75 120.556 0.599 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 75 121.651 0.277 10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 75 121.881 2.743 11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 75 120.786 3.066 9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 75 119.006 1.701 10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 75 120.101 1.428 12.176 1.00 0.00 H new ATOM 0 HE ARG A 75 120.062 4.238 11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 75 117.754 1.627 12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 75 116.555 2.596 13.054 1.00 0.00 H new ATOM 0 HH21 ARG A 75 118.525 5.483 13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 75 116.988 4.760 13.536 1.00 0.00 H new ATOM 1190 N ASP A 76 122.535 -0.833 7.506 1.00 0.00 N ATOM 1191 CA ASP A 76 122.996 -2.191 7.107 1.00 0.00 C ATOM 1192 C ASP A 76 124.380 -2.124 6.469 1.00 0.00 C ATOM 1193 O ASP A 76 125.218 -2.970 6.707 1.00 0.00 O ATOM 1194 CB ASP A 76 122.005 -2.782 6.103 1.00 0.00 C ATOM 1195 CG ASP A 76 120.689 -3.110 6.812 1.00 0.00 C ATOM 1196 OD1 ASP A 76 120.746 -3.553 7.947 1.00 0.00 O ATOM 1197 OD2 ASP A 76 119.647 -2.910 6.210 1.00 0.00 O ATOM 0 H ASP A 76 121.748 -0.469 6.969 1.00 0.00 H new ATOM 0 HA ASP A 76 123.051 -2.819 7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 76 121.827 -2.074 5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 76 122.422 -3.683 5.653 1.00 0.00 H new ATOM 1202 N CYS A 77 124.639 -1.134 5.665 1.00 0.00 N ATOM 1203 CA CYS A 77 125.976 -1.038 5.025 1.00 0.00 C ATOM 1204 C CYS A 77 127.045 -0.722 6.077 1.00 0.00 C ATOM 1205 O CYS A 77 128.142 -1.240 6.020 1.00 0.00 O ATOM 1206 CB CYS A 77 125.954 0.074 3.975 1.00 0.00 C ATOM 1207 SG CYS A 77 124.930 -0.439 2.574 1.00 0.00 S ATOM 0 H CYS A 77 123.985 -0.390 5.424 1.00 0.00 H new ATOM 0 HA CYS A 77 126.214 -1.991 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 77 125.560 0.992 4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 77 126.968 0.291 3.638 1.00 0.00 H new ATOM 0 HG CYS A 77 124.764 -1.728 2.607 1.00 0.00 H new ATOM 1213 N PHE A 78 126.762 0.134 7.024 1.00 0.00 N ATOM 1214 CA PHE A 78 127.811 0.463 8.030 1.00 0.00 C ATOM 1215 C PHE A 78 128.226 -0.795 8.792 1.00 0.00 C ATOM 1216 O PHE A 78 129.380 -1.179 8.792 1.00 0.00 O ATOM 1217 CB PHE A 78 127.286 1.508 9.017 1.00 0.00 C ATOM 1218 CG PHE A 78 128.342 1.766 10.068 1.00 0.00 C ATOM 1219 CD1 PHE A 78 129.320 2.744 9.856 1.00 0.00 C ATOM 1220 CD2 PHE A 78 128.344 1.019 11.254 1.00 0.00 C ATOM 1221 CE1 PHE A 78 130.300 2.975 10.827 1.00 0.00 C ATOM 1222 CE2 PHE A 78 129.324 1.251 12.226 1.00 0.00 C ATOM 1223 CZ PHE A 78 130.303 2.230 12.013 1.00 0.00 C ATOM 0 H PHE A 78 125.868 0.611 7.143 1.00 0.00 H new ATOM 0 HA PHE A 78 128.678 0.867 7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 78 127.043 2.432 8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 78 126.367 1.156 9.485 1.00 0.00 H new ATOM 0 HD1 PHE A 78 129.318 3.320 8.943 1.00 0.00 H new ATOM 0 HD2 PHE A 78 127.589 0.264 11.418 1.00 0.00 H new ATOM 0 HE1 PHE A 78 131.055 3.729 10.662 1.00 0.00 H new ATOM 0 HE2 PHE A 78 129.325 0.675 13.140 1.00 0.00 H new ATOM 0 HZ PHE A 78 131.059 2.410 12.763 1.00 0.00 H new ATOM 1233 N GLY A 79 127.301 -1.433 9.455 1.00 0.00 N ATOM 1234 CA GLY A 79 127.643 -2.657 10.231 1.00 0.00 C ATOM 1235 C GLY A 79 128.200 -3.740 9.306 1.00 0.00 C ATOM 1236 O GLY A 79 129.053 -4.514 9.687 1.00 0.00 O ATOM 0 H GLY A 79 126.320 -1.158 9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 79 128.377 -2.414 10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 79 126.756 -3.029 10.744 1.00 0.00 H new ATOM 1240 N CYS A 80 127.732 -3.800 8.093 1.00 0.00 N ATOM 1241 CA CYS A 80 128.250 -4.838 7.159 1.00 0.00 C ATOM 1242 C CYS A 80 129.706 -4.525 6.807 1.00 0.00 C ATOM 1243 O CYS A 80 130.569 -5.377 6.878 1.00 0.00 O ATOM 1244 CB CYS A 80 127.409 -4.847 5.883 1.00 0.00 C ATOM 1245 SG CYS A 80 128.029 -6.125 4.761 1.00 0.00 S ATOM 0 H CYS A 80 127.018 -3.181 7.708 1.00 0.00 H new ATOM 0 HA CYS A 80 128.192 -5.816 7.637 1.00 0.00 H new ATOM 0 HB2 CYS A 80 126.363 -5.037 6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 80 127.452 -3.871 5.399 1.00 0.00 H new ATOM 0 HG CYS A 80 128.004 -5.680 3.540 1.00 0.00 H new ATOM 1251 N LEU A 81 129.990 -3.304 6.447 1.00 0.00 N ATOM 1252 CA LEU A 81 131.400 -2.956 6.121 1.00 0.00 C ATOM 1253 C LEU A 81 132.226 -2.974 7.410 1.00 0.00 C ATOM 1254 O LEU A 81 133.352 -3.431 7.428 1.00 0.00 O ATOM 1255 CB LEU A 81 131.457 -1.562 5.486 1.00 0.00 C ATOM 1256 CG LEU A 81 130.712 -1.571 4.141 1.00 0.00 C ATOM 1257 CD1 LEU A 81 130.629 -0.138 3.604 1.00 0.00 C ATOM 1258 CD2 LEU A 81 131.452 -2.462 3.123 1.00 0.00 C ATOM 0 H LEU A 81 129.317 -2.542 6.365 1.00 0.00 H new ATOM 0 HA LEU A 81 131.805 -3.681 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 131.008 -0.829 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 81 132.494 -1.263 5.335 1.00 0.00 H new ATOM 0 HG LEU A 81 129.709 -1.971 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 81 130.102 -0.137 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 130.091 0.487 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 81 131.635 0.256 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 130.912 -2.458 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 81 132.460 -2.077 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 131.508 -3.481 3.505 1.00 0.00 H new ATOM 1270 N ARG A 82 131.678 -2.485 8.492 1.00 0.00 N ATOM 1271 CA ARG A 82 132.443 -2.485 9.772 1.00 0.00 C ATOM 1272 C ARG A 82 132.794 -3.927 10.151 1.00 0.00 C ATOM 1273 O ARG A 82 133.880 -4.209 10.616 1.00 0.00 O ATOM 1274 CB ARG A 82 131.591 -1.841 10.881 1.00 0.00 C ATOM 1275 CG ARG A 82 132.404 -1.699 12.187 1.00 0.00 C ATOM 1276 CD ARG A 82 133.253 -0.420 12.156 1.00 0.00 C ATOM 1277 NE ARG A 82 134.459 -0.605 13.029 1.00 0.00 N ATOM 1278 CZ ARG A 82 134.342 -0.965 14.279 1.00 0.00 C ATOM 1279 NH1 ARG A 82 133.172 -0.991 14.854 1.00 0.00 N ATOM 1280 NH2 ARG A 82 135.411 -1.251 14.973 1.00 0.00 N ATOM 0 H ARG A 82 130.740 -2.088 8.544 1.00 0.00 H new ATOM 0 HA ARG A 82 133.362 -1.911 9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 82 131.244 -0.860 10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 82 130.705 -2.449 11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 131.728 -1.673 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 82 133.049 -2.568 12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 82 133.560 -0.198 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 82 132.665 0.429 12.504 1.00 0.00 H new ATOM 0 HE ARG A 82 135.388 -0.447 12.639 1.00 0.00 H new ATOM 0 HH11 ARG A 82 132.339 -0.729 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 82 133.090 -1.273 15.831 1.00 0.00 H new ATOM 0 HH21 ARG A 82 136.332 -1.193 14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 82 135.325 -1.533 15.950 1.00 0.00 H new ATOM 1294 N GLU A 83 131.881 -4.843 9.966 1.00 0.00 N ATOM 1295 CA GLU A 83 132.158 -6.266 10.325 1.00 0.00 C ATOM 1296 C GLU A 83 133.182 -6.896 9.371 1.00 0.00 C ATOM 1297 O GLU A 83 134.047 -7.631 9.803 1.00 0.00 O ATOM 1298 CB GLU A 83 130.854 -7.075 10.293 1.00 0.00 C ATOM 1299 CG GLU A 83 130.020 -6.756 11.538 1.00 0.00 C ATOM 1300 CD GLU A 83 128.722 -7.563 11.503 1.00 0.00 C ATOM 1301 OE1 GLU A 83 128.445 -8.158 10.475 1.00 0.00 O ATOM 1302 OE2 GLU A 83 128.026 -7.575 12.505 1.00 0.00 O ATOM 0 H GLU A 83 130.953 -4.667 9.581 1.00 0.00 H new ATOM 0 HA GLU A 83 132.577 -6.283 11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 83 130.288 -6.836 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 83 131.077 -8.141 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 83 130.585 -6.996 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 83 129.797 -5.690 11.576 1.00 0.00 H new ATOM 1309 N TRP A 84 133.123 -6.625 8.089 1.00 0.00 N ATOM 1310 CA TRP A 84 134.131 -7.232 7.167 1.00 0.00 C ATOM 1311 C TRP A 84 135.526 -6.779 7.603 1.00 0.00 C ATOM 1312 O TRP A 84 136.460 -7.554 7.658 1.00 0.00 O ATOM 1313 CB TRP A 84 133.866 -6.781 5.727 1.00 0.00 C ATOM 1314 CG TRP A 84 134.776 -7.528 4.803 1.00 0.00 C ATOM 1315 CD1 TRP A 84 134.468 -8.698 4.195 1.00 0.00 C ATOM 1316 CD2 TRP A 84 136.129 -7.192 4.378 1.00 0.00 C ATOM 1317 NE1 TRP A 84 135.542 -9.097 3.422 1.00 0.00 N ATOM 1318 CE2 TRP A 84 136.591 -8.204 3.502 1.00 0.00 C ATOM 1319 CE3 TRP A 84 136.993 -6.118 4.661 1.00 0.00 C ATOM 1320 CZ2 TRP A 84 137.862 -8.154 2.929 1.00 0.00 C ATOM 1321 CZ3 TRP A 84 138.274 -6.066 4.086 1.00 0.00 C ATOM 1322 CH2 TRP A 84 138.708 -7.082 3.222 1.00 0.00 C ATOM 0 H TRP A 84 132.431 -6.019 7.647 1.00 0.00 H new ATOM 0 HA TRP A 84 134.061 -8.319 7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 84 132.825 -6.966 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 84 134.033 -5.708 5.633 1.00 0.00 H new ATOM 0 HD1 TRP A 84 133.535 -9.232 4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 84 135.557 -9.948 2.860 1.00 0.00 H new ATOM 0 HE3 TRP A 84 136.670 -5.329 5.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 138.190 -8.939 2.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 138.929 -5.238 4.311 1.00 0.00 H new ATOM 0 HH2 TRP A 84 139.694 -7.036 2.784 1.00 0.00 H new ATOM 1333 N CYS A 85 135.665 -5.517 7.904 1.00 0.00 N ATOM 1334 CA CYS A 85 136.991 -4.989 8.335 1.00 0.00 C ATOM 1335 C CYS A 85 137.423 -5.683 9.628 1.00 0.00 C ATOM 1336 O CYS A 85 138.578 -6.015 9.812 1.00 0.00 O ATOM 1337 CB CYS A 85 136.887 -3.480 8.571 1.00 0.00 C ATOM 1338 SG CYS A 85 136.712 -2.635 6.980 1.00 0.00 S ATOM 0 H CYS A 85 134.915 -4.826 7.870 1.00 0.00 H new ATOM 0 HA CYS A 85 137.730 -5.184 7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 85 136.032 -3.258 9.209 1.00 0.00 H new ATOM 0 HB3 CYS A 85 137.775 -3.120 9.091 1.00 0.00 H new ATOM 0 HG CYS A 85 136.621 -1.353 7.177 1.00 0.00 H new ATOM 1344 N ASP A 86 136.503 -5.901 10.523 1.00 0.00 N ATOM 1345 CA ASP A 86 136.846 -6.572 11.807 1.00 0.00 C ATOM 1346 C ASP A 86 137.422 -7.961 11.526 1.00 0.00 C ATOM 1347 O ASP A 86 138.272 -8.447 12.244 1.00 0.00 O ATOM 1348 CB ASP A 86 135.587 -6.707 12.666 1.00 0.00 C ATOM 1349 CG ASP A 86 135.153 -5.326 13.162 1.00 0.00 C ATOM 1350 OD1 ASP A 86 135.991 -4.439 13.192 1.00 0.00 O ATOM 1351 OD2 ASP A 86 133.992 -5.177 13.504 1.00 0.00 O ATOM 0 H ASP A 86 135.522 -5.642 10.420 1.00 0.00 H new ATOM 0 HA ASP A 86 137.587 -5.975 12.338 1.00 0.00 H new ATOM 0 HB2 ASP A 86 134.786 -7.164 12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 86 135.782 -7.364 13.513 1.00 0.00 H new ATOM 1356 N ALA A 87 136.955 -8.612 10.493 1.00 0.00 N ATOM 1357 CA ALA A 87 137.467 -9.979 10.178 1.00 0.00 C ATOM 1358 C ALA A 87 138.707 -9.889 9.287 1.00 0.00 C ATOM 1359 O ALA A 87 139.607 -10.699 9.391 1.00 0.00 O ATOM 1360 CB ALA A 87 136.383 -10.774 9.447 1.00 0.00 C ATOM 0 H ALA A 87 136.243 -8.257 9.855 1.00 0.00 H new ATOM 0 HA ALA A 87 137.731 -10.478 11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 87 136.756 -11.772 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 87 135.500 -10.854 10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 87 136.119 -10.263 8.521 1.00 0.00 H new ATOM 1366 N PHE A 88 138.752 -8.933 8.389 1.00 0.00 N ATOM 1367 CA PHE A 88 139.926 -8.817 7.467 1.00 0.00 C ATOM 1368 C PHE A 88 140.819 -7.648 7.885 1.00 0.00 C ATOM 1369 O PHE A 88 141.783 -7.827 8.603 1.00 0.00 O ATOM 1370 CB PHE A 88 139.422 -8.591 6.041 1.00 0.00 C ATOM 1371 CG PHE A 88 138.781 -9.860 5.529 1.00 0.00 C ATOM 1372 CD1 PHE A 88 139.583 -10.888 5.016 1.00 0.00 C ATOM 1373 CD2 PHE A 88 137.388 -10.012 5.568 1.00 0.00 C ATOM 1374 CE1 PHE A 88 138.993 -12.065 4.541 1.00 0.00 C ATOM 1375 CE2 PHE A 88 136.798 -11.190 5.090 1.00 0.00 C ATOM 1376 CZ PHE A 88 137.601 -12.216 4.577 1.00 0.00 C ATOM 0 H PHE A 88 138.027 -8.229 8.255 1.00 0.00 H new ATOM 0 HA PHE A 88 140.509 -9.736 7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 88 138.701 -7.774 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 88 140.249 -8.301 5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 88 140.656 -10.772 4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 88 136.769 -9.221 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 88 139.612 -12.857 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 88 135.725 -11.306 5.117 1.00 0.00 H new ATOM 0 HZ PHE A 88 137.147 -13.124 4.209 1.00 0.00 H new ATOM 1386 N LEU A 89 140.526 -6.451 7.441 1.00 0.00 N ATOM 1387 CA LEU A 89 141.379 -5.283 7.815 1.00 0.00 C ATOM 1388 C LEU A 89 140.997 -4.832 9.230 1.00 0.00 C ATOM 1389 O LEU A 89 140.131 -3.981 9.345 1.00 0.00 O ATOM 1390 CB LEU A 89 141.116 -4.129 6.828 1.00 0.00 C ATOM 1391 CG LEU A 89 142.034 -2.920 7.122 1.00 0.00 C ATOM 1392 CD1 LEU A 89 143.419 -3.129 6.501 1.00 0.00 C ATOM 1393 CD2 LEU A 89 141.410 -1.646 6.538 1.00 0.00 C ATOM 1394 OXT LEU A 89 141.579 -5.345 10.171 1.00 0.00 O ATOM 0 H LEU A 89 139.734 -6.233 6.837 1.00 0.00 H new ATOM 0 HA LEU A 89 142.433 -5.561 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 89 141.282 -4.475 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 89 140.073 -3.821 6.895 1.00 0.00 H new ATOM 0 HG LEU A 89 142.141 -2.823 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 89 144.049 -2.267 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 89 143.874 -4.027 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 89 143.320 -3.242 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 89 142.058 -0.795 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 89 141.294 -1.759 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 89 140.434 -1.478 6.992 1.00 0.00 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 170.807 -5.619 -2.080 1.00 0.00 N ATOM 1408 CA MET B 1 170.197 -6.814 -2.727 1.00 0.00 C ATOM 1409 C MET B 1 168.843 -7.110 -2.075 1.00 0.00 C ATOM 1410 O MET B 1 167.804 -6.926 -2.676 1.00 0.00 O ATOM 1411 CB MET B 1 171.133 -8.017 -2.559 1.00 0.00 C ATOM 1412 CG MET B 1 170.578 -9.223 -3.328 1.00 0.00 C ATOM 1413 SD MET B 1 170.647 -8.901 -5.111 1.00 0.00 S ATOM 1414 CE MET B 1 172.449 -8.829 -5.286 1.00 0.00 C ATOM 0 H1 MET B 1 171.727 -5.417 -2.522 1.00 0.00 H new ATOM 0 H2 MET B 1 170.177 -4.800 -2.200 1.00 0.00 H new ATOM 0 H3 MET B 1 170.943 -5.805 -1.066 1.00 0.00 H new ATOM 0 HA MET B 1 170.048 -6.622 -3.790 1.00 0.00 H new ATOM 0 HB2 MET B 1 172.129 -7.768 -2.926 1.00 0.00 H new ATOM 0 HB3 MET B 1 171.235 -8.264 -1.502 1.00 0.00 H new ATOM 0 HG2 MET B 1 171.156 -10.116 -3.088 1.00 0.00 H new ATOM 0 HG3 MET B 1 169.549 -9.417 -3.024 1.00 0.00 H new ATOM 0 HE1 MET B 1 172.729 -9.132 -6.295 1.00 0.00 H new ATOM 0 HE2 MET B 1 172.792 -7.810 -5.104 1.00 0.00 H new ATOM 0 HE3 MET B 1 172.912 -9.502 -4.564 1.00 0.00 H new ATOM 1426 N THR B 2 168.842 -7.567 -0.851 1.00 0.00 N ATOM 1427 CA THR B 2 167.548 -7.870 -0.173 1.00 0.00 C ATOM 1428 C THR B 2 166.841 -6.564 0.197 1.00 0.00 C ATOM 1429 O THR B 2 167.454 -5.520 0.302 1.00 0.00 O ATOM 1430 CB THR B 2 167.811 -8.683 1.099 1.00 0.00 C ATOM 1431 OG1 THR B 2 168.646 -7.938 1.973 1.00 0.00 O ATOM 1432 CG2 THR B 2 168.495 -10.003 0.737 1.00 0.00 C ATOM 0 H THR B 2 169.678 -7.743 -0.293 1.00 0.00 H new ATOM 0 HA THR B 2 166.916 -8.446 -0.849 1.00 0.00 H new ATOM 0 HB THR B 2 166.863 -8.894 1.594 1.00 0.00 H new ATOM 0 HG1 THR B 2 168.813 -8.457 2.787 1.00 0.00 H new ATOM 0 HG21 THR B 2 168.680 -10.578 1.644 1.00 0.00 H new ATOM 0 HG22 THR B 2 167.851 -10.576 0.070 1.00 0.00 H new ATOM 0 HG23 THR B 2 169.442 -9.797 0.238 1.00 0.00 H new ATOM 1440 N THR B 3 165.552 -6.618 0.400 1.00 0.00 N ATOM 1441 CA THR B 3 164.796 -5.387 0.769 1.00 0.00 C ATOM 1442 C THR B 3 164.960 -5.118 2.265 1.00 0.00 C ATOM 1443 O THR B 3 165.462 -5.943 3.001 1.00 0.00 O ATOM 1444 CB THR B 3 163.310 -5.582 0.453 1.00 0.00 C ATOM 1445 OG1 THR B 3 162.803 -6.659 1.227 1.00 0.00 O ATOM 1446 CG2 THR B 3 163.137 -5.894 -1.034 1.00 0.00 C ATOM 0 H THR B 3 164.988 -7.465 0.326 1.00 0.00 H new ATOM 0 HA THR B 3 165.183 -4.542 0.199 1.00 0.00 H new ATOM 0 HB THR B 3 162.764 -4.670 0.694 1.00 0.00 H new ATOM 0 HG1 THR B 3 161.852 -6.785 1.028 1.00 0.00 H new ATOM 0 HG21 THR B 3 162.079 -6.032 -1.256 1.00 0.00 H new ATOM 0 HG22 THR B 3 163.527 -5.067 -1.627 1.00 0.00 H new ATOM 0 HG23 THR B 3 163.682 -6.806 -1.280 1.00 0.00 H new ATOM 1454 N SER B 4 164.531 -3.974 2.723 1.00 0.00 N ATOM 1455 CA SER B 4 164.658 -3.665 4.174 1.00 0.00 C ATOM 1456 C SER B 4 163.702 -4.572 4.951 1.00 0.00 C ATOM 1457 O SER B 4 162.769 -5.126 4.404 1.00 0.00 O ATOM 1458 CB SER B 4 164.289 -2.199 4.418 1.00 0.00 C ATOM 1459 OG SER B 4 162.893 -2.025 4.209 1.00 0.00 O ATOM 0 H SER B 4 164.100 -3.243 2.157 1.00 0.00 H new ATOM 0 HA SER B 4 165.683 -3.834 4.505 1.00 0.00 H new ATOM 0 HB2 SER B 4 164.555 -1.909 5.435 1.00 0.00 H new ATOM 0 HB3 SER B 4 164.853 -1.553 3.745 1.00 0.00 H new ATOM 0 HG SER B 4 162.653 -1.088 4.366 1.00 0.00 H new ATOM 1465 N GLN B 5 163.946 -4.744 6.222 1.00 0.00 N ATOM 1466 CA GLN B 5 163.077 -5.633 7.046 1.00 0.00 C ATOM 1467 C GLN B 5 161.634 -5.131 7.061 1.00 0.00 C ATOM 1468 O GLN B 5 160.714 -5.896 7.270 1.00 0.00 O ATOM 1469 CB GLN B 5 163.609 -5.698 8.480 1.00 0.00 C ATOM 1470 CG GLN B 5 164.913 -6.499 8.508 1.00 0.00 C ATOM 1471 CD GLN B 5 165.441 -6.562 9.944 1.00 0.00 C ATOM 1472 OE1 GLN B 5 164.958 -5.744 10.839 1.00 0.00 O flip ATOM 1473 NE2 GLN B 5 166.298 -7.366 10.254 1.00 0.00 N flip ATOM 0 H GLN B 5 164.715 -4.304 6.728 1.00 0.00 H new ATOM 0 HA GLN B 5 163.093 -6.628 6.601 1.00 0.00 H new ATOM 0 HB2 GLN B 5 163.781 -4.691 8.861 1.00 0.00 H new ATOM 0 HB3 GLN B 5 162.870 -6.164 9.132 1.00 0.00 H new ATOM 0 HG2 GLN B 5 164.742 -7.506 8.127 1.00 0.00 H new ATOM 0 HG3 GLN B 5 165.653 -6.033 7.857 1.00 0.00 H new ATOM 0 HE21 GLN B 5 166.675 -8.005 9.554 1.00 0.00 H new ATOM 0 HE22 GLN B 5 166.640 -7.402 11.214 1.00 0.00 H new ATOM 1482 N LYS B 6 161.409 -3.861 6.854 1.00 0.00 N ATOM 1483 CA LYS B 6 160.011 -3.347 6.874 1.00 0.00 C ATOM 1484 C LYS B 6 159.195 -3.996 5.756 1.00 0.00 C ATOM 1485 O LYS B 6 158.035 -4.312 5.932 1.00 0.00 O ATOM 1486 CB LYS B 6 160.019 -1.832 6.654 1.00 0.00 C ATOM 1487 CG LYS B 6 160.602 -1.127 7.882 1.00 0.00 C ATOM 1488 CD LYS B 6 160.599 0.384 7.642 1.00 0.00 C ATOM 1489 CE LYS B 6 161.179 1.102 8.861 1.00 0.00 C ATOM 1490 NZ LYS B 6 161.175 2.574 8.614 1.00 0.00 N ATOM 0 H LYS B 6 162.129 -3.162 6.673 1.00 0.00 H new ATOM 0 HA LYS B 6 159.565 -3.586 7.840 1.00 0.00 H new ATOM 0 HB2 LYS B 6 160.609 -1.588 5.770 1.00 0.00 H new ATOM 0 HB3 LYS B 6 159.005 -1.478 6.469 1.00 0.00 H new ATOM 0 HG2 LYS B 6 160.014 -1.368 8.768 1.00 0.00 H new ATOM 0 HG3 LYS B 6 161.618 -1.476 8.069 1.00 0.00 H new ATOM 0 HD2 LYS B 6 161.186 0.622 6.755 1.00 0.00 H new ATOM 0 HD3 LYS B 6 159.583 0.730 7.454 1.00 0.00 H new ATOM 0 HE2 LYS B 6 160.591 0.869 9.749 1.00 0.00 H new ATOM 0 HE3 LYS B 6 162.195 0.756 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 161.569 3.066 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 161.754 2.787 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 160.200 2.896 8.452 1.00 0.00 H new ATOM 1504 N HIS B 7 159.771 -4.172 4.600 1.00 0.00 N ATOM 1505 CA HIS B 7 158.994 -4.768 3.478 1.00 0.00 C ATOM 1506 C HIS B 7 158.496 -6.169 3.842 1.00 0.00 C ATOM 1507 O HIS B 7 157.325 -6.467 3.723 1.00 0.00 O ATOM 1508 CB HIS B 7 159.878 -4.850 2.228 1.00 0.00 C ATOM 1509 CG HIS B 7 159.142 -5.582 1.138 1.00 0.00 C ATOM 1510 ND1 HIS B 7 158.291 -4.937 0.250 1.00 0.00 N ATOM 1511 CD2 HIS B 7 159.108 -6.911 0.792 1.00 0.00 C ATOM 1512 CE1 HIS B 7 157.784 -5.872 -0.577 1.00 0.00 C ATOM 1513 NE2 HIS B 7 158.251 -7.088 -0.287 1.00 0.00 N ATOM 0 H HIS B 7 160.738 -3.931 4.384 1.00 0.00 H new ATOM 0 HA HIS B 7 158.130 -4.133 3.281 1.00 0.00 H new ATOM 0 HB2 HIS B 7 160.144 -3.848 1.892 1.00 0.00 H new ATOM 0 HB3 HIS B 7 160.809 -5.366 2.462 1.00 0.00 H new ATOM 0 HD2 HIS B 7 159.662 -7.697 1.283 1.00 0.00 H new ATOM 0 HE1 HIS B 7 157.087 -5.663 -1.375 1.00 0.00 H new ATOM 0 HE2 HIS B 7 158.026 -7.964 -0.759 1.00 0.00 H new ATOM 1521 N ARG B 8 159.372 -7.037 4.279 1.00 0.00 N ATOM 1522 CA ARG B 8 158.949 -8.417 4.639 1.00 0.00 C ATOM 1523 C ARG B 8 158.107 -8.384 5.911 1.00 0.00 C ATOM 1524 O ARG B 8 157.180 -9.150 6.079 1.00 0.00 O ATOM 1525 CB ARG B 8 160.193 -9.279 4.878 1.00 0.00 C ATOM 1526 CG ARG B 8 161.014 -9.397 3.585 1.00 0.00 C ATOM 1527 CD ARG B 8 160.386 -10.433 2.642 1.00 0.00 C ATOM 1528 NE ARG B 8 161.321 -10.699 1.513 1.00 0.00 N ATOM 1529 CZ ARG B 8 161.140 -11.740 0.749 1.00 0.00 C ATOM 1530 NH1 ARG B 8 160.149 -12.555 0.981 1.00 0.00 N ATOM 1531 NH2 ARG B 8 161.954 -11.967 -0.247 1.00 0.00 N ATOM 0 H ARG B 8 160.366 -6.845 4.401 1.00 0.00 H new ATOM 0 HA ARG B 8 158.357 -8.837 3.826 1.00 0.00 H new ATOM 0 HB2 ARG B 8 160.804 -8.838 5.666 1.00 0.00 H new ATOM 0 HB3 ARG B 8 159.897 -10.270 5.221 1.00 0.00 H new ATOM 0 HG2 ARG B 8 161.063 -8.428 3.089 1.00 0.00 H new ATOM 0 HG3 ARG B 8 162.038 -9.686 3.822 1.00 0.00 H new ATOM 0 HD2 ARG B 8 160.179 -11.356 3.183 1.00 0.00 H new ATOM 0 HD3 ARG B 8 159.433 -10.065 2.262 1.00 0.00 H new ATOM 0 HE ARG B 8 162.102 -10.067 1.338 1.00 0.00 H new ATOM 0 HH11 ARG B 8 159.515 -12.378 1.760 1.00 0.00 H new ATOM 0 HH12 ARG B 8 160.008 -13.369 0.383 1.00 0.00 H new ATOM 0 HH21 ARG B 8 162.730 -11.330 -0.426 1.00 0.00 H new ATOM 0 HH22 ARG B 8 161.813 -12.781 -0.845 1.00 0.00 H new ATOM 1545 N ASP B 9 158.423 -7.496 6.802 1.00 0.00 N ATOM 1546 CA ASP B 9 157.649 -7.397 8.065 1.00 0.00 C ATOM 1547 C ASP B 9 156.255 -6.828 7.792 1.00 0.00 C ATOM 1548 O ASP B 9 155.280 -7.245 8.379 1.00 0.00 O ATOM 1549 CB ASP B 9 158.397 -6.500 9.049 1.00 0.00 C ATOM 1550 CG ASP B 9 159.659 -7.220 9.528 1.00 0.00 C ATOM 1551 OD1 ASP B 9 159.647 -8.439 9.555 1.00 0.00 O ATOM 1552 OD2 ASP B 9 160.617 -6.540 9.858 1.00 0.00 O ATOM 0 H ASP B 9 159.189 -6.829 6.711 1.00 0.00 H new ATOM 0 HA ASP B 9 157.537 -8.393 8.494 1.00 0.00 H new ATOM 0 HB2 ASP B 9 158.661 -5.557 8.571 1.00 0.00 H new ATOM 0 HB3 ASP B 9 157.757 -6.259 9.898 1.00 0.00 H new ATOM 1557 N PHE B 10 156.154 -5.864 6.920 1.00 0.00 N ATOM 1558 CA PHE B 10 154.821 -5.261 6.635 1.00 0.00 C ATOM 1559 C PHE B 10 153.920 -6.273 5.917 1.00 0.00 C ATOM 1560 O PHE B 10 152.738 -6.360 6.185 1.00 0.00 O ATOM 1561 CB PHE B 10 155.013 -4.020 5.757 1.00 0.00 C ATOM 1562 CG PHE B 10 153.712 -3.259 5.654 1.00 0.00 C ATOM 1563 CD1 PHE B 10 153.402 -2.272 6.599 1.00 0.00 C ATOM 1564 CD2 PHE B 10 152.820 -3.529 4.608 1.00 0.00 C ATOM 1565 CE1 PHE B 10 152.201 -1.559 6.501 1.00 0.00 C ATOM 1566 CE2 PHE B 10 151.619 -2.816 4.510 1.00 0.00 C ATOM 1567 CZ PHE B 10 151.309 -1.831 5.456 1.00 0.00 C ATOM 0 H PHE B 10 156.933 -5.468 6.394 1.00 0.00 H new ATOM 0 HA PHE B 10 154.344 -4.980 7.574 1.00 0.00 H new ATOM 0 HB2 PHE B 10 155.787 -3.380 6.181 1.00 0.00 H new ATOM 0 HB3 PHE B 10 155.352 -4.315 4.764 1.00 0.00 H new ATOM 0 HD1 PHE B 10 154.090 -2.061 7.404 1.00 0.00 H new ATOM 0 HD2 PHE B 10 153.059 -4.287 3.877 1.00 0.00 H new ATOM 0 HE1 PHE B 10 151.963 -0.800 7.231 1.00 0.00 H new ATOM 0 HE2 PHE B 10 150.931 -3.026 3.704 1.00 0.00 H new ATOM 0 HZ PHE B 10 150.382 -1.281 5.380 1.00 0.00 H new ATOM 1577 N VAL B 11 154.461 -7.033 5.001 1.00 0.00 N ATOM 1578 CA VAL B 11 153.626 -8.030 4.261 1.00 0.00 C ATOM 1579 C VAL B 11 153.529 -9.337 5.057 1.00 0.00 C ATOM 1580 O VAL B 11 153.130 -10.357 4.530 1.00 0.00 O ATOM 1581 CB VAL B 11 154.265 -8.317 2.896 1.00 0.00 C ATOM 1582 CG1 VAL B 11 154.524 -6.997 2.159 1.00 0.00 C ATOM 1583 CG2 VAL B 11 155.588 -9.066 3.098 1.00 0.00 C ATOM 0 H VAL B 11 155.445 -7.008 4.732 1.00 0.00 H new ATOM 0 HA VAL B 11 152.625 -7.620 4.125 1.00 0.00 H new ATOM 0 HB VAL B 11 153.589 -8.932 2.302 1.00 0.00 H new ATOM 0 HG11 VAL B 11 154.978 -7.204 1.190 1.00 0.00 H new ATOM 0 HG12 VAL B 11 153.581 -6.471 2.013 1.00 0.00 H new ATOM 0 HG13 VAL B 11 155.198 -6.377 2.750 1.00 0.00 H new ATOM 0 HG21 VAL B 11 156.042 -9.270 2.128 1.00 0.00 H new ATOM 0 HG22 VAL B 11 156.265 -8.454 3.694 1.00 0.00 H new ATOM 0 HG23 VAL B 11 155.398 -10.007 3.615 1.00 0.00 H new ATOM 1593 N ALA B 12 153.906 -9.322 6.314 1.00 0.00 N ATOM 1594 CA ALA B 12 153.856 -10.570 7.147 1.00 0.00 C ATOM 1595 C ALA B 12 152.877 -10.398 8.310 1.00 0.00 C ATOM 1596 O ALA B 12 152.573 -11.339 9.017 1.00 0.00 O ATOM 1597 CB ALA B 12 155.250 -10.848 7.710 1.00 0.00 C ATOM 0 H ALA B 12 154.248 -8.495 6.803 1.00 0.00 H new ATOM 0 HA ALA B 12 153.524 -11.399 6.523 1.00 0.00 H new ATOM 0 HB1 ALA B 12 155.223 -11.753 8.317 1.00 0.00 H new ATOM 0 HB2 ALA B 12 155.954 -10.982 6.889 1.00 0.00 H new ATOM 0 HB3 ALA B 12 155.568 -10.007 8.326 1.00 0.00 H new ATOM 1603 N GLU B 13 152.370 -9.213 8.517 1.00 0.00 N ATOM 1604 CA GLU B 13 151.404 -9.006 9.637 1.00 0.00 C ATOM 1605 C GLU B 13 150.500 -7.804 9.319 1.00 0.00 C ATOM 1606 O GLU B 13 150.904 -6.900 8.616 1.00 0.00 O ATOM 1607 CB GLU B 13 152.179 -8.732 10.928 1.00 0.00 C ATOM 1608 CG GLU B 13 153.318 -7.756 10.636 1.00 0.00 C ATOM 1609 CD GLU B 13 153.879 -7.211 11.950 1.00 0.00 C ATOM 1610 OE1 GLU B 13 153.590 -7.794 12.981 1.00 0.00 O ATOM 1611 OE2 GLU B 13 154.589 -6.220 11.901 1.00 0.00 O ATOM 0 H GLU B 13 152.580 -8.383 7.963 1.00 0.00 H new ATOM 0 HA GLU B 13 150.791 -9.899 9.760 1.00 0.00 H new ATOM 0 HB2 GLU B 13 151.513 -8.316 11.684 1.00 0.00 H new ATOM 0 HB3 GLU B 13 152.577 -9.663 11.331 1.00 0.00 H new ATOM 0 HG2 GLU B 13 154.105 -8.258 10.074 1.00 0.00 H new ATOM 0 HG3 GLU B 13 152.957 -6.936 10.015 1.00 0.00 H new ATOM 1618 N PRO B 14 149.297 -7.769 9.846 1.00 0.00 N ATOM 1619 CA PRO B 14 148.366 -6.629 9.617 1.00 0.00 C ATOM 1620 C PRO B 14 149.084 -5.275 9.683 1.00 0.00 C ATOM 1621 O PRO B 14 150.160 -5.160 10.235 1.00 0.00 O ATOM 1622 CB PRO B 14 147.356 -6.761 10.760 1.00 0.00 C ATOM 1623 CG PRO B 14 147.296 -8.228 11.050 1.00 0.00 C ATOM 1624 CD PRO B 14 148.683 -8.801 10.708 1.00 0.00 C ATOM 0 HA PRO B 14 147.911 -6.662 8.627 1.00 0.00 H new ATOM 0 HB2 PRO B 14 147.675 -6.197 11.637 1.00 0.00 H new ATOM 0 HB3 PRO B 14 146.379 -6.375 10.471 1.00 0.00 H new ATOM 0 HG2 PRO B 14 147.051 -8.406 12.097 1.00 0.00 H new ATOM 0 HG3 PRO B 14 146.520 -8.709 10.454 1.00 0.00 H new ATOM 0 HD2 PRO B 14 149.275 -8.974 11.606 1.00 0.00 H new ATOM 0 HD3 PRO B 14 148.603 -9.757 10.190 1.00 0.00 H new ATOM 1632 N MET B 15 148.498 -4.252 9.121 1.00 0.00 N ATOM 1633 CA MET B 15 149.140 -2.904 9.150 1.00 0.00 C ATOM 1634 C MET B 15 148.662 -2.132 10.385 1.00 0.00 C ATOM 1635 O MET B 15 149.283 -1.182 10.819 1.00 0.00 O ATOM 1636 CB MET B 15 148.747 -2.138 7.887 1.00 0.00 C ATOM 1637 CG MET B 15 147.242 -2.293 7.653 1.00 0.00 C ATOM 1638 SD MET B 15 146.695 -1.102 6.402 1.00 0.00 S ATOM 1639 CE MET B 15 147.021 -2.121 4.942 1.00 0.00 C ATOM 0 H MET B 15 147.599 -4.291 8.641 1.00 0.00 H new ATOM 0 HA MET B 15 150.223 -3.015 9.193 1.00 0.00 H new ATOM 0 HB2 MET B 15 149.004 -1.084 7.991 1.00 0.00 H new ATOM 0 HB3 MET B 15 149.302 -2.518 7.029 1.00 0.00 H new ATOM 0 HG2 MET B 15 147.017 -3.308 7.326 1.00 0.00 H new ATOM 0 HG3 MET B 15 146.700 -2.131 8.585 1.00 0.00 H new ATOM 0 HE1 MET B 15 147.288 -1.479 4.102 1.00 0.00 H new ATOM 0 HE2 MET B 15 147.844 -2.805 5.152 1.00 0.00 H new ATOM 0 HE3 MET B 15 146.128 -2.694 4.691 1.00 0.00 H new ATOM 1649 N GLY B 16 147.559 -2.542 10.954 1.00 0.00 N ATOM 1650 CA GLY B 16 147.029 -1.846 12.163 1.00 0.00 C ATOM 1651 C GLY B 16 146.963 -0.337 11.916 1.00 0.00 C ATOM 1652 O GLY B 16 146.602 0.111 10.846 1.00 0.00 O ATOM 0 H GLY B 16 147.000 -3.332 10.632 1.00 0.00 H new ATOM 0 HA2 GLY B 16 146.037 -2.226 12.405 1.00 0.00 H new ATOM 0 HA3 GLY B 16 147.668 -2.054 13.021 1.00 0.00 H new ATOM 1656 N GLU B 17 147.293 0.452 12.912 1.00 0.00 N ATOM 1657 CA GLU B 17 147.235 1.942 12.764 1.00 0.00 C ATOM 1658 C GLU B 17 148.647 2.513 12.637 1.00 0.00 C ATOM 1659 O GLU B 17 148.907 3.634 13.029 1.00 0.00 O ATOM 1660 CB GLU B 17 146.555 2.545 13.996 1.00 0.00 C ATOM 1661 CG GLU B 17 145.067 2.187 13.986 1.00 0.00 C ATOM 1662 CD GLU B 17 144.418 2.659 15.288 1.00 0.00 C ATOM 1663 OE1 GLU B 17 145.100 3.300 16.071 1.00 0.00 O ATOM 1664 OE2 GLU B 17 143.248 2.370 15.482 1.00 0.00 O ATOM 0 H GLU B 17 147.602 0.125 13.827 1.00 0.00 H new ATOM 0 HA GLU B 17 146.668 2.190 11.867 1.00 0.00 H new ATOM 0 HB2 GLU B 17 147.024 2.168 14.905 1.00 0.00 H new ATOM 0 HB3 GLU B 17 146.679 3.628 13.999 1.00 0.00 H new ATOM 0 HG2 GLU B 17 144.576 2.654 13.133 1.00 0.00 H new ATOM 0 HG3 GLU B 17 144.942 1.110 13.875 1.00 0.00 H new ATOM 1671 N LYS B 18 149.566 1.762 12.094 1.00 0.00 N ATOM 1672 CA LYS B 18 150.952 2.287 11.951 1.00 0.00 C ATOM 1673 C LYS B 18 150.906 3.530 11.050 1.00 0.00 C ATOM 1674 O LYS B 18 150.055 3.637 10.189 1.00 0.00 O ATOM 1675 CB LYS B 18 151.838 1.213 11.313 1.00 0.00 C ATOM 1676 CG LYS B 18 152.128 0.115 12.343 1.00 0.00 C ATOM 1677 CD LYS B 18 153.121 -0.902 11.761 1.00 0.00 C ATOM 1678 CE LYS B 18 152.403 -1.852 10.795 1.00 0.00 C ATOM 1679 NZ LYS B 18 153.307 -2.987 10.454 1.00 0.00 N ATOM 0 H LYS B 18 149.418 0.815 11.746 1.00 0.00 H new ATOM 0 HA LYS B 18 151.363 2.550 12.926 1.00 0.00 H new ATOM 0 HB2 LYS B 18 151.342 0.787 10.441 1.00 0.00 H new ATOM 0 HB3 LYS B 18 152.771 1.656 10.964 1.00 0.00 H new ATOM 0 HG2 LYS B 18 152.537 0.556 13.252 1.00 0.00 H new ATOM 0 HG3 LYS B 18 151.202 -0.387 12.622 1.00 0.00 H new ATOM 0 HD2 LYS B 18 153.923 -0.380 11.240 1.00 0.00 H new ATOM 0 HD3 LYS B 18 153.583 -1.472 12.567 1.00 0.00 H new ATOM 0 HE2 LYS B 18 151.486 -2.227 11.250 1.00 0.00 H new ATOM 0 HE3 LYS B 18 152.114 -1.318 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 152.822 -3.633 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 154.170 -2.620 10.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 153.561 -3.501 11.322 1.00 0.00 H new ATOM 1693 N PRO B 19 151.794 4.476 11.253 1.00 0.00 N ATOM 1694 CA PRO B 19 151.817 5.736 10.448 1.00 0.00 C ATOM 1695 C PRO B 19 152.130 5.490 8.968 1.00 0.00 C ATOM 1696 O PRO B 19 152.732 4.501 8.601 1.00 0.00 O ATOM 1697 CB PRO B 19 152.915 6.587 11.117 1.00 0.00 C ATOM 1698 CG PRO B 19 153.784 5.607 11.840 1.00 0.00 C ATOM 1699 CD PRO B 19 152.869 4.457 12.261 1.00 0.00 C ATOM 0 HA PRO B 19 150.842 6.224 10.441 1.00 0.00 H new ATOM 0 HB2 PRO B 19 153.485 7.147 10.376 1.00 0.00 H new ATOM 0 HB3 PRO B 19 152.485 7.315 11.805 1.00 0.00 H new ATOM 0 HG2 PRO B 19 154.587 5.250 11.196 1.00 0.00 H new ATOM 0 HG3 PRO B 19 154.253 6.069 12.708 1.00 0.00 H new ATOM 0 HD2 PRO B 19 153.399 3.504 12.263 1.00 0.00 H new ATOM 0 HD3 PRO B 19 152.477 4.606 13.267 1.00 0.00 H new ATOM 1707 N VAL B 20 151.706 6.387 8.121 1.00 0.00 N ATOM 1708 CA VAL B 20 151.950 6.228 6.661 1.00 0.00 C ATOM 1709 C VAL B 20 153.438 5.975 6.396 1.00 0.00 C ATOM 1710 O VAL B 20 153.806 5.143 5.590 1.00 0.00 O ATOM 1711 CB VAL B 20 151.511 7.504 5.928 1.00 0.00 C ATOM 1712 CG1 VAL B 20 152.190 8.727 6.555 1.00 0.00 C ATOM 1713 CG2 VAL B 20 151.911 7.413 4.453 1.00 0.00 C ATOM 0 H VAL B 20 151.196 7.231 8.381 1.00 0.00 H new ATOM 0 HA VAL B 20 151.375 5.376 6.297 1.00 0.00 H new ATOM 0 HB VAL B 20 150.429 7.605 6.012 1.00 0.00 H new ATOM 0 HG11 VAL B 20 151.874 9.628 6.030 1.00 0.00 H new ATOM 0 HG12 VAL B 20 151.908 8.801 7.605 1.00 0.00 H new ATOM 0 HG13 VAL B 20 153.272 8.622 6.477 1.00 0.00 H new ATOM 0 HG21 VAL B 20 151.599 8.320 3.935 1.00 0.00 H new ATOM 0 HG22 VAL B 20 152.993 7.305 4.375 1.00 0.00 H new ATOM 0 HG23 VAL B 20 151.427 6.549 3.997 1.00 0.00 H new ATOM 1723 N GLY B 21 154.293 6.709 7.060 1.00 0.00 N ATOM 1724 CA GLY B 21 155.758 6.544 6.844 1.00 0.00 C ATOM 1725 C GLY B 21 156.184 5.102 7.124 1.00 0.00 C ATOM 1726 O GLY B 21 157.333 4.748 6.949 1.00 0.00 O ATOM 0 H GLY B 21 154.036 7.419 7.746 1.00 0.00 H new ATOM 0 HA2 GLY B 21 156.012 6.811 5.818 1.00 0.00 H new ATOM 0 HA3 GLY B 21 156.306 7.224 7.496 1.00 0.00 H new ATOM 1730 N SER B 22 155.283 4.260 7.554 1.00 0.00 N ATOM 1731 CA SER B 22 155.667 2.846 7.830 1.00 0.00 C ATOM 1732 C SER B 22 155.679 2.066 6.514 1.00 0.00 C ATOM 1733 O SER B 22 156.307 1.034 6.397 1.00 0.00 O ATOM 1734 CB SER B 22 154.656 2.218 8.791 1.00 0.00 C ATOM 1735 OG SER B 22 154.979 0.847 8.980 1.00 0.00 O ATOM 0 H SER B 22 154.304 4.488 7.725 1.00 0.00 H new ATOM 0 HA SER B 22 156.658 2.816 8.284 1.00 0.00 H new ATOM 0 HB2 SER B 22 154.671 2.742 9.747 1.00 0.00 H new ATOM 0 HB3 SER B 22 153.647 2.314 8.390 1.00 0.00 H new ATOM 0 HG SER B 22 154.160 0.340 9.163 1.00 0.00 H new ATOM 1741 N LEU B 23 154.990 2.557 5.520 1.00 0.00 N ATOM 1742 CA LEU B 23 154.960 1.850 4.209 1.00 0.00 C ATOM 1743 C LEU B 23 156.356 1.873 3.584 1.00 0.00 C ATOM 1744 O LEU B 23 157.062 2.861 3.634 1.00 0.00 O ATOM 1745 CB LEU B 23 153.970 2.553 3.278 1.00 0.00 C ATOM 1746 CG LEU B 23 152.557 2.501 3.878 1.00 0.00 C ATOM 1747 CD1 LEU B 23 151.632 3.428 3.080 1.00 0.00 C ATOM 1748 CD2 LEU B 23 152.004 1.065 3.825 1.00 0.00 C ATOM 0 H LEU B 23 154.446 3.419 5.560 1.00 0.00 H new ATOM 0 HA LEU B 23 154.649 0.816 4.358 1.00 0.00 H new ATOM 0 HB2 LEU B 23 154.272 3.589 3.128 1.00 0.00 H new ATOM 0 HB3 LEU B 23 153.976 2.074 2.299 1.00 0.00 H new ATOM 0 HG LEU B 23 152.604 2.825 4.918 1.00 0.00 H new ATOM 0 HD11 LEU B 23 150.628 3.393 3.504 1.00 0.00 H new ATOM 0 HD12 LEU B 23 152.011 4.449 3.128 1.00 0.00 H new ATOM 0 HD13 LEU B 23 151.599 3.102 2.041 1.00 0.00 H new ATOM 0 HD21 LEU B 23 151.002 1.045 4.254 1.00 0.00 H new ATOM 0 HD22 LEU B 23 151.962 0.729 2.789 1.00 0.00 H new ATOM 0 HD23 LEU B 23 152.656 0.403 4.395 1.00 0.00 H new ATOM 1760 N ALA B 24 156.748 0.787 2.991 1.00 0.00 N ATOM 1761 CA ALA B 24 158.094 0.734 2.353 1.00 0.00 C ATOM 1762 C ALA B 24 158.152 1.728 1.189 1.00 0.00 C ATOM 1763 O ALA B 24 157.239 1.831 0.393 1.00 0.00 O ATOM 1764 CB ALA B 24 158.359 -0.678 1.832 1.00 0.00 C ATOM 0 H ALA B 24 156.198 -0.069 2.918 1.00 0.00 H new ATOM 0 HA ALA B 24 158.852 0.997 3.091 1.00 0.00 H new ATOM 0 HB1 ALA B 24 159.344 -0.715 1.366 1.00 0.00 H new ATOM 0 HB2 ALA B 24 158.323 -1.384 2.661 1.00 0.00 H new ATOM 0 HB3 ALA B 24 157.599 -0.943 1.097 1.00 0.00 H new ATOM 1770 N GLY B 25 159.231 2.458 1.093 1.00 0.00 N ATOM 1771 CA GLY B 25 159.382 3.457 -0.013 1.00 0.00 C ATOM 1772 C GLY B 25 159.059 4.860 0.509 1.00 0.00 C ATOM 1773 O GLY B 25 159.481 5.850 -0.055 1.00 0.00 O ATOM 0 H GLY B 25 160.021 2.407 1.736 1.00 0.00 H new ATOM 0 HA2 GLY B 25 160.399 3.430 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY B 25 158.716 3.204 -0.838 1.00 0.00 H new ATOM 1777 N ILE B 26 158.328 4.955 1.589 1.00 0.00 N ATOM 1778 CA ILE B 26 157.992 6.298 2.157 1.00 0.00 C ATOM 1779 C ILE B 26 158.980 6.592 3.284 1.00 0.00 C ATOM 1780 O ILE B 26 159.001 5.903 4.286 1.00 0.00 O ATOM 1781 CB ILE B 26 156.567 6.273 2.720 1.00 0.00 C ATOM 1782 CG1 ILE B 26 155.591 5.758 1.651 1.00 0.00 C ATOM 1783 CG2 ILE B 26 156.159 7.686 3.146 1.00 0.00 C ATOM 1784 CD1 ILE B 26 155.747 6.558 0.351 1.00 0.00 C ATOM 0 H ILE B 26 157.948 4.161 2.104 1.00 0.00 H new ATOM 0 HA ILE B 26 158.054 7.065 1.385 1.00 0.00 H new ATOM 0 HB ILE B 26 156.536 5.609 3.584 1.00 0.00 H new ATOM 0 HG12 ILE B 26 155.777 4.701 1.459 1.00 0.00 H new ATOM 0 HG13 ILE B 26 154.567 5.840 2.015 1.00 0.00 H new ATOM 0 HG21 ILE B 26 155.145 7.667 3.546 1.00 0.00 H new ATOM 0 HG22 ILE B 26 156.845 8.047 3.912 1.00 0.00 H new ATOM 0 HG23 ILE B 26 156.196 8.351 2.283 1.00 0.00 H new ATOM 0 HD11 ILE B 26 155.048 6.180 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE B 26 155.538 7.610 0.544 1.00 0.00 H new ATOM 0 HD13 ILE B 26 156.766 6.453 -0.021 1.00 0.00 H new ATOM 1796 N GLY B 27 159.806 7.598 3.148 1.00 0.00 N ATOM 1797 CA GLY B 27 160.785 7.907 4.233 1.00 0.00 C ATOM 1798 C GLY B 27 160.178 8.922 5.203 1.00 0.00 C ATOM 1799 O GLY B 27 159.061 9.369 5.035 1.00 0.00 O ATOM 0 H GLY B 27 159.845 8.216 2.337 1.00 0.00 H new ATOM 0 HA2 GLY B 27 161.051 6.994 4.766 1.00 0.00 H new ATOM 0 HA3 GLY B 27 161.704 8.305 3.804 1.00 0.00 H new ATOM 1803 N GLU B 28 160.902 9.268 6.232 1.00 0.00 N ATOM 1804 CA GLU B 28 160.364 10.232 7.231 1.00 0.00 C ATOM 1805 C GLU B 28 160.010 11.561 6.552 1.00 0.00 C ATOM 1806 O GLU B 28 159.009 12.173 6.867 1.00 0.00 O ATOM 1807 CB GLU B 28 161.416 10.479 8.315 1.00 0.00 C ATOM 1808 CG GLU B 28 161.574 9.222 9.173 1.00 0.00 C ATOM 1809 CD GLU B 28 160.317 9.011 10.017 1.00 0.00 C ATOM 1810 OE1 GLU B 28 159.547 9.949 10.144 1.00 0.00 O ATOM 1811 OE2 GLU B 28 160.145 7.914 10.524 1.00 0.00 O ATOM 0 H GLU B 28 161.843 8.924 6.424 1.00 0.00 H new ATOM 0 HA GLU B 28 159.463 9.813 7.678 1.00 0.00 H new ATOM 0 HB2 GLU B 28 162.370 10.741 7.857 1.00 0.00 H new ATOM 0 HB3 GLU B 28 161.119 11.322 8.939 1.00 0.00 H new ATOM 0 HG2 GLU B 28 161.745 8.354 8.536 1.00 0.00 H new ATOM 0 HG3 GLU B 28 162.446 9.319 9.820 1.00 0.00 H new ATOM 1818 N VAL B 29 160.815 12.020 5.631 1.00 0.00 N ATOM 1819 CA VAL B 29 160.498 13.316 4.959 1.00 0.00 C ATOM 1820 C VAL B 29 159.242 13.147 4.100 1.00 0.00 C ATOM 1821 O VAL B 29 158.357 13.981 4.104 1.00 0.00 O ATOM 1822 CB VAL B 29 161.674 13.743 4.073 1.00 0.00 C ATOM 1823 CG1 VAL B 29 161.276 14.959 3.231 1.00 0.00 C ATOM 1824 CG2 VAL B 29 162.875 14.104 4.953 1.00 0.00 C ATOM 0 H VAL B 29 161.670 11.560 5.317 1.00 0.00 H new ATOM 0 HA VAL B 29 160.324 14.082 5.714 1.00 0.00 H new ATOM 0 HB VAL B 29 161.941 12.919 3.412 1.00 0.00 H new ATOM 0 HG11 VAL B 29 162.116 15.258 2.604 1.00 0.00 H new ATOM 0 HG12 VAL B 29 160.425 14.702 2.600 1.00 0.00 H new ATOM 0 HG13 VAL B 29 161.004 15.784 3.889 1.00 0.00 H new ATOM 0 HG21 VAL B 29 163.710 14.407 4.322 1.00 0.00 H new ATOM 0 HG22 VAL B 29 162.605 14.925 5.618 1.00 0.00 H new ATOM 0 HG23 VAL B 29 163.165 13.237 5.547 1.00 0.00 H new ATOM 1834 N LEU B 30 159.161 12.078 3.359 1.00 0.00 N ATOM 1835 CA LEU B 30 157.973 11.852 2.490 1.00 0.00 C ATOM 1836 C LEU B 30 156.740 11.620 3.363 1.00 0.00 C ATOM 1837 O LEU B 30 155.651 12.052 3.047 1.00 0.00 O ATOM 1838 CB LEU B 30 158.204 10.624 1.604 1.00 0.00 C ATOM 1839 CG LEU B 30 159.409 10.857 0.680 1.00 0.00 C ATOM 1840 CD1 LEU B 30 159.745 9.550 -0.041 1.00 0.00 C ATOM 1841 CD2 LEU B 30 159.087 11.948 -0.357 1.00 0.00 C ATOM 0 H LEU B 30 159.871 11.347 3.318 1.00 0.00 H new ATOM 0 HA LEU B 30 157.818 12.728 1.860 1.00 0.00 H new ATOM 0 HB2 LEU B 30 158.377 9.745 2.225 1.00 0.00 H new ATOM 0 HB3 LEU B 30 157.313 10.423 1.009 1.00 0.00 H new ATOM 0 HG LEU B 30 160.260 11.184 1.278 1.00 0.00 H new ATOM 0 HD11 LEU B 30 160.600 9.707 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU B 30 159.988 8.782 0.693 1.00 0.00 H new ATOM 0 HD13 LEU B 30 158.887 9.229 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU B 30 159.951 12.101 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU B 30 158.233 11.637 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU B 30 158.849 12.879 0.157 1.00 0.00 H new ATOM 1853 N GLY B 31 156.905 10.932 4.457 1.00 0.00 N ATOM 1854 CA GLY B 31 155.744 10.665 5.348 1.00 0.00 C ATOM 1855 C GLY B 31 155.141 11.989 5.816 1.00 0.00 C ATOM 1856 O GLY B 31 153.938 12.130 5.923 1.00 0.00 O ATOM 0 H GLY B 31 157.794 10.543 4.772 1.00 0.00 H new ATOM 0 HA2 GLY B 31 154.993 10.079 4.818 1.00 0.00 H new ATOM 0 HA3 GLY B 31 156.061 10.074 6.207 1.00 0.00 H new ATOM 1860 N LYS B 32 155.963 12.961 6.105 1.00 0.00 N ATOM 1861 CA LYS B 32 155.434 14.273 6.575 1.00 0.00 C ATOM 1862 C LYS B 32 154.627 14.953 5.459 1.00 0.00 C ATOM 1863 O LYS B 32 153.629 15.596 5.716 1.00 0.00 O ATOM 1864 CB LYS B 32 156.598 15.177 6.989 1.00 0.00 C ATOM 1865 CG LYS B 32 157.238 14.630 8.269 1.00 0.00 C ATOM 1866 CD LYS B 32 158.403 15.532 8.686 1.00 0.00 C ATOM 1867 CE LYS B 32 159.047 14.981 9.963 1.00 0.00 C ATOM 1868 NZ LYS B 32 158.102 15.124 11.107 1.00 0.00 N ATOM 0 H LYS B 32 156.979 12.903 6.036 1.00 0.00 H new ATOM 0 HA LYS B 32 154.780 14.103 7.430 1.00 0.00 H new ATOM 0 HB2 LYS B 32 157.338 15.223 6.190 1.00 0.00 H new ATOM 0 HB3 LYS B 32 156.242 16.194 7.153 1.00 0.00 H new ATOM 0 HG2 LYS B 32 156.497 14.583 9.067 1.00 0.00 H new ATOM 0 HG3 LYS B 32 157.593 13.613 8.104 1.00 0.00 H new ATOM 0 HD2 LYS B 32 159.142 15.582 7.886 1.00 0.00 H new ATOM 0 HD3 LYS B 32 158.047 16.548 8.855 1.00 0.00 H new ATOM 0 HE2 LYS B 32 159.310 13.932 9.825 1.00 0.00 H new ATOM 0 HE3 LYS B 32 159.973 15.516 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 158.620 15.009 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 157.664 16.067 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 157.362 14.396 11.039 1.00 0.00 H new ATOM 1882 N LYS B 33 155.054 14.844 4.228 1.00 0.00 N ATOM 1883 CA LYS B 33 154.303 15.522 3.126 1.00 0.00 C ATOM 1884 C LYS B 33 152.915 14.887 2.969 1.00 0.00 C ATOM 1885 O LYS B 33 151.921 15.575 2.859 1.00 0.00 O ATOM 1886 CB LYS B 33 155.072 15.364 1.810 1.00 0.00 C ATOM 1887 CG LYS B 33 156.362 16.185 1.865 1.00 0.00 C ATOM 1888 CD LYS B 33 157.126 16.025 0.549 1.00 0.00 C ATOM 1889 CE LYS B 33 158.415 16.845 0.606 1.00 0.00 C ATOM 1890 NZ LYS B 33 159.265 16.518 -0.575 1.00 0.00 N ATOM 0 H LYS B 33 155.881 14.321 3.938 1.00 0.00 H new ATOM 0 HA LYS B 33 154.195 16.579 3.371 1.00 0.00 H new ATOM 0 HB2 LYS B 33 155.305 14.313 1.638 1.00 0.00 H new ATOM 0 HB3 LYS B 33 154.454 15.694 0.975 1.00 0.00 H new ATOM 0 HG2 LYS B 33 156.130 17.236 2.037 1.00 0.00 H new ATOM 0 HG3 LYS B 33 156.981 15.854 2.699 1.00 0.00 H new ATOM 0 HD2 LYS B 33 157.358 14.974 0.376 1.00 0.00 H new ATOM 0 HD3 LYS B 33 156.508 16.356 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS B 33 158.181 17.910 0.616 1.00 0.00 H new ATOM 0 HE3 LYS B 33 158.956 16.629 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 159.834 17.349 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 159.896 15.725 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 158.658 16.251 -1.376 1.00 0.00 H new ATOM 1904 N LEU B 34 152.837 13.586 2.969 1.00 0.00 N ATOM 1905 CA LEU B 34 151.510 12.919 2.831 1.00 0.00 C ATOM 1906 C LEU B 34 150.621 13.318 4.018 1.00 0.00 C ATOM 1907 O LEU B 34 149.433 13.530 3.880 1.00 0.00 O ATOM 1908 CB LEU B 34 151.701 11.397 2.792 1.00 0.00 C ATOM 1909 CG LEU B 34 152.399 10.983 1.485 1.00 0.00 C ATOM 1910 CD1 LEU B 34 152.846 9.522 1.597 1.00 0.00 C ATOM 1911 CD2 LEU B 34 151.438 11.127 0.287 1.00 0.00 C ATOM 0 H LEU B 34 153.633 12.955 3.058 1.00 0.00 H new ATOM 0 HA LEU B 34 151.030 13.233 1.904 1.00 0.00 H new ATOM 0 HB2 LEU B 34 152.295 11.076 3.648 1.00 0.00 H new ATOM 0 HB3 LEU B 34 150.734 10.900 2.870 1.00 0.00 H new ATOM 0 HG LEU B 34 153.260 11.632 1.325 1.00 0.00 H new ATOM 0 HD11 LEU B 34 153.342 9.221 0.674 1.00 0.00 H new ATOM 0 HD12 LEU B 34 153.539 9.416 2.432 1.00 0.00 H new ATOM 0 HD13 LEU B 34 151.976 8.887 1.765 1.00 0.00 H new ATOM 0 HD21 LEU B 34 151.950 10.830 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU B 34 150.568 10.489 0.440 1.00 0.00 H new ATOM 0 HD23 LEU B 34 151.116 12.165 0.202 1.00 0.00 H new ATOM 1923 N GLU B 35 151.201 13.415 5.180 1.00 0.00 N ATOM 1924 CA GLU B 35 150.386 13.795 6.375 1.00 0.00 C ATOM 1925 C GLU B 35 149.757 15.175 6.151 1.00 0.00 C ATOM 1926 O GLU B 35 148.613 15.406 6.486 1.00 0.00 O ATOM 1927 CB GLU B 35 151.267 13.816 7.631 1.00 0.00 C ATOM 1928 CG GLU B 35 150.417 14.191 8.851 1.00 0.00 C ATOM 1929 CD GLU B 35 151.291 14.179 10.107 1.00 0.00 C ATOM 1930 OE1 GLU B 35 152.422 13.732 10.014 1.00 0.00 O ATOM 1931 OE2 GLU B 35 150.811 14.612 11.141 1.00 0.00 O ATOM 0 H GLU B 35 152.192 13.251 5.358 1.00 0.00 H new ATOM 0 HA GLU B 35 149.595 13.059 6.516 1.00 0.00 H new ATOM 0 HB2 GLU B 35 151.726 12.839 7.782 1.00 0.00 H new ATOM 0 HB3 GLU B 35 152.078 14.533 7.506 1.00 0.00 H new ATOM 0 HG2 GLU B 35 149.977 15.178 8.711 1.00 0.00 H new ATOM 0 HG3 GLU B 35 149.592 13.487 8.963 1.00 0.00 H new ATOM 1938 N GLU B 36 150.492 16.091 5.583 1.00 0.00 N ATOM 1939 CA GLU B 36 149.931 17.453 5.335 1.00 0.00 C ATOM 1940 C GLU B 36 148.841 17.356 4.270 1.00 0.00 C ATOM 1941 O GLU B 36 148.008 18.230 4.129 1.00 0.00 O ATOM 1942 CB GLU B 36 151.037 18.389 4.838 1.00 0.00 C ATOM 1943 CG GLU B 36 152.014 18.685 5.977 1.00 0.00 C ATOM 1944 CD GLU B 36 153.113 19.620 5.472 1.00 0.00 C ATOM 1945 OE1 GLU B 36 153.160 19.857 4.276 1.00 0.00 O ATOM 1946 OE2 GLU B 36 153.888 20.088 6.290 1.00 0.00 O ATOM 0 H GLU B 36 151.457 15.957 5.279 1.00 0.00 H new ATOM 0 HA GLU B 36 149.515 17.848 6.262 1.00 0.00 H new ATOM 0 HB2 GLU B 36 151.566 17.931 4.002 1.00 0.00 H new ATOM 0 HB3 GLU B 36 150.602 19.318 4.469 1.00 0.00 H new ATOM 0 HG2 GLU B 36 151.487 19.144 6.813 1.00 0.00 H new ATOM 0 HG3 GLU B 36 152.451 17.757 6.346 1.00 0.00 H new ATOM 1953 N ARG B 37 148.857 16.303 3.505 1.00 0.00 N ATOM 1954 CA ARG B 37 147.840 16.143 2.424 1.00 0.00 C ATOM 1955 C ARG B 37 146.613 15.403 2.973 1.00 0.00 C ATOM 1956 O ARG B 37 145.652 15.178 2.265 1.00 0.00 O ATOM 1957 CB ARG B 37 148.461 15.343 1.269 1.00 0.00 C ATOM 1958 CG ARG B 37 149.545 16.173 0.560 1.00 0.00 C ATOM 1959 CD ARG B 37 148.912 17.167 -0.425 1.00 0.00 C ATOM 1960 NE ARG B 37 149.996 17.885 -1.154 1.00 0.00 N ATOM 1961 CZ ARG B 37 149.723 18.558 -2.237 1.00 0.00 C ATOM 1962 NH1 ARG B 37 148.498 18.614 -2.680 1.00 0.00 N ATOM 1963 NH2 ARG B 37 150.677 19.179 -2.877 1.00 0.00 N ATOM 0 H ARG B 37 149.532 15.542 3.580 1.00 0.00 H new ATOM 0 HA ARG B 37 147.527 17.123 2.063 1.00 0.00 H new ATOM 0 HB2 ARG B 37 148.894 14.419 1.651 1.00 0.00 H new ATOM 0 HB3 ARG B 37 147.686 15.061 0.556 1.00 0.00 H new ATOM 0 HG2 ARG B 37 150.137 16.713 1.299 1.00 0.00 H new ATOM 0 HG3 ARG B 37 150.227 15.510 0.027 1.00 0.00 H new ATOM 0 HD2 ARG B 37 148.269 16.640 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG B 37 148.283 17.878 0.110 1.00 0.00 H new ATOM 0 HE ARG B 37 150.954 17.850 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG B 37 147.752 18.131 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG B 37 148.286 19.141 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG B 37 151.635 19.137 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG B 37 150.464 19.706 -3.724 1.00 0.00 H new ATOM 1977 N GLY B 38 146.620 15.055 4.237 1.00 0.00 N ATOM 1978 CA GLY B 38 145.430 14.367 4.836 1.00 0.00 C ATOM 1979 C GLY B 38 145.642 12.852 4.888 1.00 0.00 C ATOM 1980 O GLY B 38 144.723 12.086 4.677 1.00 0.00 O ATOM 0 H GLY B 38 147.396 15.216 4.880 1.00 0.00 H new ATOM 0 HA2 GLY B 38 145.253 14.748 5.842 1.00 0.00 H new ATOM 0 HA3 GLY B 38 144.540 14.594 4.248 1.00 0.00 H new ATOM 1984 N PHE B 39 146.836 12.410 5.194 1.00 0.00 N ATOM 1985 CA PHE B 39 147.111 10.940 5.295 1.00 0.00 C ATOM 1986 C PHE B 39 147.920 10.674 6.566 1.00 0.00 C ATOM 1987 O PHE B 39 149.107 10.420 6.512 1.00 0.00 O ATOM 1988 CB PHE B 39 147.910 10.488 4.077 1.00 0.00 C ATOM 1989 CG PHE B 39 147.060 10.628 2.838 1.00 0.00 C ATOM 1990 CD1 PHE B 39 146.246 9.571 2.420 1.00 0.00 C ATOM 1991 CD2 PHE B 39 147.080 11.822 2.116 1.00 0.00 C ATOM 1992 CE1 PHE B 39 145.452 9.709 1.275 1.00 0.00 C ATOM 1993 CE2 PHE B 39 146.286 11.963 0.971 1.00 0.00 C ATOM 1994 CZ PHE B 39 145.472 10.906 0.551 1.00 0.00 C ATOM 0 H PHE B 39 147.641 13.009 5.380 1.00 0.00 H new ATOM 0 HA PHE B 39 146.172 10.388 5.333 1.00 0.00 H new ATOM 0 HB2 PHE B 39 148.815 11.087 3.980 1.00 0.00 H new ATOM 0 HB3 PHE B 39 148.225 9.452 4.200 1.00 0.00 H new ATOM 0 HD1 PHE B 39 146.230 8.648 2.980 1.00 0.00 H new ATOM 0 HD2 PHE B 39 147.708 12.638 2.441 1.00 0.00 H new ATOM 0 HE1 PHE B 39 144.825 8.892 0.951 1.00 0.00 H new ATOM 0 HE2 PHE B 39 146.302 12.887 0.413 1.00 0.00 H new ATOM 0 HZ PHE B 39 144.859 11.014 -0.332 1.00 0.00 H new ATOM 2004 N ASP B 40 147.300 10.746 7.712 1.00 0.00 N ATOM 2005 CA ASP B 40 148.063 10.512 8.974 1.00 0.00 C ATOM 2006 C ASP B 40 148.188 9.010 9.251 1.00 0.00 C ATOM 2007 O ASP B 40 148.944 8.599 10.109 1.00 0.00 O ATOM 2008 CB ASP B 40 147.342 11.189 10.143 1.00 0.00 C ATOM 2009 CG ASP B 40 145.960 10.561 10.332 1.00 0.00 C ATOM 2010 OD1 ASP B 40 145.470 9.961 9.389 1.00 0.00 O ATOM 2011 OD2 ASP B 40 145.417 10.686 11.417 1.00 0.00 O ATOM 0 H ASP B 40 146.309 10.954 7.831 1.00 0.00 H new ATOM 0 HA ASP B 40 149.062 10.935 8.864 1.00 0.00 H new ATOM 0 HB2 ASP B 40 147.928 11.081 11.055 1.00 0.00 H new ATOM 0 HB3 ASP B 40 147.243 12.258 9.952 1.00 0.00 H new ATOM 2016 N LYS B 41 147.446 8.182 8.546 1.00 0.00 N ATOM 2017 CA LYS B 41 147.519 6.700 8.786 1.00 0.00 C ATOM 2018 C LYS B 41 147.702 5.965 7.454 1.00 0.00 C ATOM 2019 O LYS B 41 147.298 6.431 6.407 1.00 0.00 O ATOM 2020 CB LYS B 41 146.218 6.224 9.444 1.00 0.00 C ATOM 2021 CG LYS B 41 145.993 6.953 10.778 1.00 0.00 C ATOM 2022 CD LYS B 41 146.846 6.323 11.885 1.00 0.00 C ATOM 2023 CE LYS B 41 146.537 7.013 13.216 1.00 0.00 C ATOM 2024 NZ LYS B 41 145.089 6.861 13.529 1.00 0.00 N ATOM 0 H LYS B 41 146.794 8.468 7.816 1.00 0.00 H new ATOM 0 HA LYS B 41 148.365 6.487 9.439 1.00 0.00 H new ATOM 0 HB2 LYS B 41 145.377 6.408 8.776 1.00 0.00 H new ATOM 0 HB3 LYS B 41 146.261 5.148 9.613 1.00 0.00 H new ATOM 0 HG2 LYS B 41 146.247 8.007 10.670 1.00 0.00 H new ATOM 0 HG3 LYS B 41 144.939 6.906 11.052 1.00 0.00 H new ATOM 0 HD2 LYS B 41 146.637 5.256 11.958 1.00 0.00 H new ATOM 0 HD3 LYS B 41 147.905 6.425 11.647 1.00 0.00 H new ATOM 0 HE2 LYS B 41 147.140 6.577 14.013 1.00 0.00 H new ATOM 0 HE3 LYS B 41 146.799 8.070 13.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 144.936 7.014 14.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 144.542 7.560 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 144.777 5.903 13.272 1.00 0.00 H new ATOM 2038 N ALA B 42 148.326 4.819 7.496 1.00 0.00 N ATOM 2039 CA ALA B 42 148.565 4.033 6.248 1.00 0.00 C ATOM 2040 C ALA B 42 147.243 3.564 5.614 1.00 0.00 C ATOM 2041 O ALA B 42 147.108 3.547 4.406 1.00 0.00 O ATOM 2042 CB ALA B 42 149.413 2.805 6.587 1.00 0.00 C ATOM 0 H ALA B 42 148.684 4.389 8.349 1.00 0.00 H new ATOM 0 HA ALA B 42 149.079 4.676 5.534 1.00 0.00 H new ATOM 0 HB1 ALA B 42 149.592 2.225 5.681 1.00 0.00 H new ATOM 0 HB2 ALA B 42 150.366 3.126 7.007 1.00 0.00 H new ATOM 0 HB3 ALA B 42 148.885 2.188 7.314 1.00 0.00 H new ATOM 2048 N TYR B 43 146.283 3.143 6.399 1.00 0.00 N ATOM 2049 CA TYR B 43 145.007 2.635 5.803 1.00 0.00 C ATOM 2050 C TYR B 43 144.310 3.716 4.965 1.00 0.00 C ATOM 2051 O TYR B 43 143.507 3.407 4.107 1.00 0.00 O ATOM 2052 CB TYR B 43 144.063 2.123 6.900 1.00 0.00 C ATOM 2053 CG TYR B 43 143.612 3.256 7.788 1.00 0.00 C ATOM 2054 CD1 TYR B 43 142.580 4.099 7.369 1.00 0.00 C ATOM 2055 CD2 TYR B 43 144.209 3.447 9.039 1.00 0.00 C ATOM 2056 CE1 TYR B 43 142.146 5.140 8.200 1.00 0.00 C ATOM 2057 CE2 TYR B 43 143.777 4.488 9.871 1.00 0.00 C ATOM 2058 CZ TYR B 43 142.745 5.334 9.451 1.00 0.00 C ATOM 2059 OH TYR B 43 142.319 6.360 10.270 1.00 0.00 O ATOM 0 H TYR B 43 146.325 3.128 7.418 1.00 0.00 H new ATOM 0 HA TYR B 43 145.260 1.806 5.142 1.00 0.00 H new ATOM 0 HB2 TYR B 43 143.196 1.643 6.446 1.00 0.00 H new ATOM 0 HB3 TYR B 43 144.570 1.365 7.498 1.00 0.00 H new ATOM 0 HD1 TYR B 43 142.117 3.948 6.405 1.00 0.00 H new ATOM 0 HD2 TYR B 43 145.004 2.791 9.363 1.00 0.00 H new ATOM 0 HE1 TYR B 43 141.349 5.793 7.876 1.00 0.00 H new ATOM 0 HE2 TYR B 43 144.240 4.637 10.835 1.00 0.00 H new ATOM 0 HH TYR B 43 142.839 6.353 11.101 1.00 0.00 H new ATOM 2069 N VAL B 44 144.616 4.971 5.163 1.00 0.00 N ATOM 2070 CA VAL B 44 143.962 6.020 4.319 1.00 0.00 C ATOM 2071 C VAL B 44 144.673 6.028 2.964 1.00 0.00 C ATOM 2072 O VAL B 44 144.091 6.289 1.928 1.00 0.00 O ATOM 2073 CB VAL B 44 144.097 7.403 4.968 1.00 0.00 C ATOM 2074 CG1 VAL B 44 143.419 8.455 4.084 1.00 0.00 C ATOM 2075 CG2 VAL B 44 143.426 7.400 6.342 1.00 0.00 C ATOM 0 H VAL B 44 145.278 5.314 5.859 1.00 0.00 H new ATOM 0 HA VAL B 44 142.900 5.799 4.210 1.00 0.00 H new ATOM 0 HB VAL B 44 145.155 7.640 5.079 1.00 0.00 H new ATOM 0 HG11 VAL B 44 143.516 9.437 4.547 1.00 0.00 H new ATOM 0 HG12 VAL B 44 143.895 8.468 3.103 1.00 0.00 H new ATOM 0 HG13 VAL B 44 142.363 8.210 3.972 1.00 0.00 H new ATOM 0 HG21 VAL B 44 143.525 8.385 6.798 1.00 0.00 H new ATOM 0 HG22 VAL B 44 142.369 7.157 6.230 1.00 0.00 H new ATOM 0 HG23 VAL B 44 143.904 6.656 6.979 1.00 0.00 H new ATOM 2085 N VAL B 45 145.941 5.723 2.993 1.00 0.00 N ATOM 2086 CA VAL B 45 146.748 5.685 1.743 1.00 0.00 C ATOM 2087 C VAL B 45 146.437 4.379 1.022 1.00 0.00 C ATOM 2088 O VAL B 45 146.331 4.332 -0.188 1.00 0.00 O ATOM 2089 CB VAL B 45 148.231 5.741 2.097 1.00 0.00 C ATOM 2090 CG1 VAL B 45 149.066 5.745 0.814 1.00 0.00 C ATOM 2091 CG2 VAL B 45 148.508 7.012 2.898 1.00 0.00 C ATOM 0 H VAL B 45 146.458 5.496 3.842 1.00 0.00 H new ATOM 0 HA VAL B 45 146.507 6.534 1.103 1.00 0.00 H new ATOM 0 HB VAL B 45 148.499 4.869 2.694 1.00 0.00 H new ATOM 0 HG11 VAL B 45 150.125 5.785 1.069 1.00 0.00 H new ATOM 0 HG12 VAL B 45 148.864 4.837 0.245 1.00 0.00 H new ATOM 0 HG13 VAL B 45 148.805 6.616 0.212 1.00 0.00 H new ATOM 0 HG21 VAL B 45 149.567 7.057 3.154 1.00 0.00 H new ATOM 0 HG22 VAL B 45 148.241 7.884 2.301 1.00 0.00 H new ATOM 0 HG23 VAL B 45 147.914 7.003 3.812 1.00 0.00 H new ATOM 2101 N LEU B 46 146.250 3.323 1.760 1.00 0.00 N ATOM 2102 CA LEU B 46 145.901 2.027 1.124 1.00 0.00 C ATOM 2103 C LEU B 46 144.588 2.246 0.370 1.00 0.00 C ATOM 2104 O LEU B 46 144.385 1.752 -0.719 1.00 0.00 O ATOM 2105 CB LEU B 46 145.711 0.953 2.208 1.00 0.00 C ATOM 2106 CG LEU B 46 145.359 -0.408 1.571 1.00 0.00 C ATOM 2107 CD1 LEU B 46 146.594 -0.996 0.862 1.00 0.00 C ATOM 2108 CD2 LEU B 46 144.835 -1.387 2.654 1.00 0.00 C ATOM 0 H LEU B 46 146.324 3.302 2.777 1.00 0.00 H new ATOM 0 HA LEU B 46 146.689 1.692 0.449 1.00 0.00 H new ATOM 0 HB2 LEU B 46 146.623 0.859 2.798 1.00 0.00 H new ATOM 0 HB3 LEU B 46 144.918 1.256 2.892 1.00 0.00 H new ATOM 0 HG LEU B 46 144.572 -0.259 0.831 1.00 0.00 H new ATOM 0 HD11 LEU B 46 146.335 -1.956 0.416 1.00 0.00 H new ATOM 0 HD12 LEU B 46 146.926 -0.311 0.082 1.00 0.00 H new ATOM 0 HD13 LEU B 46 147.396 -1.137 1.586 1.00 0.00 H new ATOM 0 HD21 LEU B 46 144.590 -2.343 2.192 1.00 0.00 H new ATOM 0 HD22 LEU B 46 145.604 -1.536 3.412 1.00 0.00 H new ATOM 0 HD23 LEU B 46 143.942 -0.970 3.120 1.00 0.00 H new ATOM 2120 N GLY B 47 143.695 2.991 0.965 1.00 0.00 N ATOM 2121 CA GLY B 47 142.382 3.263 0.319 1.00 0.00 C ATOM 2122 C GLY B 47 142.600 3.915 -1.046 1.00 0.00 C ATOM 2123 O GLY B 47 141.941 3.583 -2.011 1.00 0.00 O ATOM 0 H GLY B 47 143.822 3.426 1.879 1.00 0.00 H new ATOM 0 HA2 GLY B 47 141.824 2.334 0.203 1.00 0.00 H new ATOM 0 HA3 GLY B 47 141.783 3.917 0.953 1.00 0.00 H new ATOM 2127 N GLN B 48 143.518 4.838 -1.141 1.00 0.00 N ATOM 2128 CA GLN B 48 143.772 5.500 -2.453 1.00 0.00 C ATOM 2129 C GLN B 48 144.195 4.437 -3.474 1.00 0.00 C ATOM 2130 O GLN B 48 143.777 4.452 -4.614 1.00 0.00 O ATOM 2131 CB GLN B 48 144.896 6.528 -2.290 1.00 0.00 C ATOM 2132 CG GLN B 48 145.046 7.345 -3.577 1.00 0.00 C ATOM 2133 CD GLN B 48 143.822 8.243 -3.758 1.00 0.00 C ATOM 2134 OE1 GLN B 48 143.492 9.022 -2.885 1.00 0.00 O ATOM 2135 NE2 GLN B 48 143.131 8.170 -4.862 1.00 0.00 N ATOM 0 H GLN B 48 144.102 5.162 -0.370 1.00 0.00 H new ATOM 0 HA GLN B 48 142.868 6.002 -2.798 1.00 0.00 H new ATOM 0 HB2 GLN B 48 144.677 7.190 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN B 48 145.833 6.022 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN B 48 145.951 7.951 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN B 48 145.151 6.678 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN B 48 143.408 7.516 -5.595 1.00 0.00 H new ATOM 0 HE22 GLN B 48 142.314 8.766 -4.993 1.00 0.00 H new ATOM 2144 N PHE B 49 145.012 3.509 -3.060 1.00 0.00 N ATOM 2145 CA PHE B 49 145.468 2.426 -3.981 1.00 0.00 C ATOM 2146 C PHE B 49 144.236 1.652 -4.471 1.00 0.00 C ATOM 2147 O PHE B 49 144.137 1.273 -5.620 1.00 0.00 O ATOM 2148 CB PHE B 49 146.417 1.504 -3.202 1.00 0.00 C ATOM 2149 CG PHE B 49 146.989 0.425 -4.098 1.00 0.00 C ATOM 2150 CD1 PHE B 49 147.786 0.777 -5.196 1.00 0.00 C ATOM 2151 CD2 PHE B 49 146.748 -0.928 -3.816 1.00 0.00 C ATOM 2152 CE1 PHE B 49 148.337 -0.220 -6.010 1.00 0.00 C ATOM 2153 CE2 PHE B 49 147.298 -1.922 -4.633 1.00 0.00 C ATOM 2154 CZ PHE B 49 148.091 -1.569 -5.729 1.00 0.00 C ATOM 0 H PHE B 49 145.388 3.453 -2.113 1.00 0.00 H new ATOM 0 HA PHE B 49 145.994 2.833 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE B 49 147.228 2.092 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE B 49 145.882 1.045 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE B 49 147.975 1.818 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE B 49 146.138 -1.202 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE B 49 148.952 0.052 -6.855 1.00 0.00 H new ATOM 0 HE2 PHE B 49 147.110 -2.963 -4.417 1.00 0.00 H new ATOM 0 HZ PHE B 49 148.514 -2.337 -6.359 1.00 0.00 H new ATOM 2164 N LEU B 50 143.309 1.423 -3.595 1.00 0.00 N ATOM 2165 CA LEU B 50 142.079 0.673 -3.996 1.00 0.00 C ATOM 2166 C LEU B 50 141.276 1.529 -4.985 1.00 0.00 C ATOM 2167 O LEU B 50 140.689 1.030 -5.925 1.00 0.00 O ATOM 2168 CB LEU B 50 141.212 0.397 -2.763 1.00 0.00 C ATOM 2169 CG LEU B 50 141.986 -0.435 -1.733 1.00 0.00 C ATOM 2170 CD1 LEU B 50 141.083 -0.691 -0.521 1.00 0.00 C ATOM 2171 CD2 LEU B 50 142.423 -1.774 -2.342 1.00 0.00 C ATOM 0 H LEU B 50 143.341 1.718 -2.619 1.00 0.00 H new ATOM 0 HA LEU B 50 142.366 -0.272 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU B 50 140.898 1.339 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU B 50 140.307 -0.133 -3.060 1.00 0.00 H new ATOM 0 HG LEU B 50 142.877 0.113 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU B 50 141.624 -1.282 0.218 1.00 0.00 H new ATOM 0 HD12 LEU B 50 140.789 0.261 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU B 50 140.193 -1.234 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU B 50 142.971 -2.351 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU B 50 141.543 -2.334 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU B 50 143.066 -1.590 -3.203 1.00 0.00 H new ATOM 2183 N VAL B 51 141.228 2.810 -4.756 1.00 0.00 N ATOM 2184 CA VAL B 51 140.447 3.722 -5.648 1.00 0.00 C ATOM 2185 C VAL B 51 141.088 3.825 -7.043 1.00 0.00 C ATOM 2186 O VAL B 51 140.417 4.092 -8.020 1.00 0.00 O ATOM 2187 CB VAL B 51 140.390 5.112 -5.007 1.00 0.00 C ATOM 2188 CG1 VAL B 51 139.753 6.111 -5.980 1.00 0.00 C ATOM 2189 CG2 VAL B 51 139.549 5.043 -3.731 1.00 0.00 C ATOM 0 H VAL B 51 141.701 3.274 -3.980 1.00 0.00 H new ATOM 0 HA VAL B 51 139.443 3.316 -5.769 1.00 0.00 H new ATOM 0 HB VAL B 51 141.402 5.440 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL B 51 139.716 7.097 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL B 51 140.348 6.161 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL B 51 138.741 5.787 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL B 51 139.505 6.030 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL B 51 138.540 4.712 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL B 51 140.002 4.337 -3.034 1.00 0.00 H new ATOM 2199 N LEU B 52 142.377 3.653 -7.144 1.00 0.00 N ATOM 2200 CA LEU B 52 143.049 3.786 -8.476 1.00 0.00 C ATOM 2201 C LEU B 52 143.019 2.457 -9.235 1.00 0.00 C ATOM 2202 O LEU B 52 143.727 2.285 -10.206 1.00 0.00 O ATOM 2203 CB LEU B 52 144.501 4.217 -8.263 1.00 0.00 C ATOM 2204 CG LEU B 52 144.538 5.591 -7.577 1.00 0.00 C ATOM 2205 CD1 LEU B 52 145.983 5.925 -7.206 1.00 0.00 C ATOM 2206 CD2 LEU B 52 143.978 6.677 -8.517 1.00 0.00 C ATOM 0 H LEU B 52 142.997 3.426 -6.366 1.00 0.00 H new ATOM 0 HA LEU B 52 142.517 4.533 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU B 52 145.023 3.481 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU B 52 145.021 4.263 -9.220 1.00 0.00 H new ATOM 0 HG LEU B 52 143.922 5.560 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU B 52 146.018 6.899 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU B 52 146.369 5.165 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU B 52 146.594 5.949 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU B 52 144.011 7.644 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU B 52 144.580 6.718 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU B 52 142.947 6.438 -8.776 1.00 0.00 H new ATOM 2218 N LYS B 53 142.215 1.522 -8.808 1.00 0.00 N ATOM 2219 CA LYS B 53 142.140 0.206 -9.515 1.00 0.00 C ATOM 2220 C LYS B 53 143.518 -0.462 -9.498 1.00 0.00 C ATOM 2221 O LYS B 53 143.793 -1.345 -10.285 1.00 0.00 O ATOM 2222 CB LYS B 53 141.705 0.410 -10.976 1.00 0.00 C ATOM 2223 CG LYS B 53 140.449 1.289 -11.047 1.00 0.00 C ATOM 2224 CD LYS B 53 139.234 0.525 -10.512 1.00 0.00 C ATOM 2225 CE LYS B 53 137.956 1.275 -10.896 1.00 0.00 C ATOM 2226 NZ LYS B 53 138.178 2.742 -10.754 1.00 0.00 N ATOM 0 H LYS B 53 141.603 1.611 -7.997 1.00 0.00 H new ATOM 0 HA LYS B 53 141.411 -0.424 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS B 53 142.513 0.875 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS B 53 141.506 -0.556 -11.440 1.00 0.00 H new ATOM 0 HG2 LYS B 53 140.600 2.198 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS B 53 140.269 1.596 -12.077 1.00 0.00 H new ATOM 0 HD2 LYS B 53 139.215 -0.484 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS B 53 139.300 0.427 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS B 53 137.676 1.037 -11.922 1.00 0.00 H new ATOM 0 HE3 LYS B 53 137.130 0.958 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 137.261 3.226 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 138.738 2.927 -9.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 138.690 3.098 -11.586 1.00 0.00 H new ATOM 2240 N LYS B 54 144.381 -0.049 -8.603 1.00 0.00 N ATOM 2241 CA LYS B 54 145.750 -0.645 -8.492 1.00 0.00 C ATOM 2242 C LYS B 54 146.542 -0.466 -9.796 1.00 0.00 C ATOM 2243 O LYS B 54 147.520 -1.150 -10.020 1.00 0.00 O ATOM 2244 CB LYS B 54 145.632 -2.137 -8.173 1.00 0.00 C ATOM 2245 CG LYS B 54 144.764 -2.319 -6.929 1.00 0.00 C ATOM 2246 CD LYS B 54 144.659 -3.805 -6.589 1.00 0.00 C ATOM 2247 CE LYS B 54 143.790 -3.981 -5.343 1.00 0.00 C ATOM 2248 NZ LYS B 54 143.647 -5.434 -5.041 1.00 0.00 N ATOM 0 H LYS B 54 144.190 0.693 -7.929 1.00 0.00 H new ATOM 0 HA LYS B 54 146.282 -0.130 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS B 54 145.193 -2.668 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS B 54 146.621 -2.565 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS B 54 145.195 -1.773 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS B 54 143.771 -1.904 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS B 54 144.227 -4.351 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS B 54 145.652 -4.221 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS B 54 144.241 -3.465 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS B 54 142.809 -3.533 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 143.056 -5.556 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 143.199 -5.914 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 144.586 -5.847 -4.871 1.00 0.00 H new ATOM 2262 N ASP B 55 146.170 0.455 -10.643 1.00 0.00 N ATOM 2263 CA ASP B 55 146.968 0.650 -11.892 1.00 0.00 C ATOM 2264 C ASP B 55 148.354 1.186 -11.484 1.00 0.00 C ATOM 2265 O ASP B 55 148.463 2.164 -10.771 1.00 0.00 O ATOM 2266 CB ASP B 55 146.254 1.646 -12.804 1.00 0.00 C ATOM 2267 CG ASP B 55 147.014 1.776 -14.123 1.00 0.00 C ATOM 2268 OD1 ASP B 55 148.119 2.292 -14.099 1.00 0.00 O ATOM 2269 OD2 ASP B 55 146.477 1.357 -15.136 1.00 0.00 O ATOM 0 H ASP B 55 145.365 1.071 -10.531 1.00 0.00 H new ATOM 0 HA ASP B 55 147.078 -0.289 -12.435 1.00 0.00 H new ATOM 0 HB2 ASP B 55 145.233 1.313 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP B 55 146.187 2.618 -12.315 1.00 0.00 H new ATOM 2274 N GLU B 56 149.408 0.521 -11.889 1.00 0.00 N ATOM 2275 CA GLU B 56 150.791 0.944 -11.485 1.00 0.00 C ATOM 2276 C GLU B 56 151.197 2.323 -12.035 1.00 0.00 C ATOM 2277 O GLU B 56 151.827 3.101 -11.350 1.00 0.00 O ATOM 2278 CB GLU B 56 151.787 -0.101 -11.993 1.00 0.00 C ATOM 2279 CG GLU B 56 153.182 0.213 -11.448 1.00 0.00 C ATOM 2280 CD GLU B 56 154.150 -0.895 -11.863 1.00 0.00 C ATOM 2281 OE1 GLU B 56 153.712 -1.818 -12.529 1.00 0.00 O ATOM 2282 OE2 GLU B 56 155.311 -0.806 -11.501 1.00 0.00 O ATOM 0 H GLU B 56 149.372 -0.304 -12.487 1.00 0.00 H new ATOM 0 HA GLU B 56 150.798 1.022 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU B 56 151.478 -1.097 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU B 56 151.803 -0.103 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU B 56 153.526 1.174 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU B 56 153.150 0.295 -10.362 1.00 0.00 H new ATOM 2289 N ASP B 57 150.870 2.628 -13.257 1.00 0.00 N ATOM 2290 CA ASP B 57 151.274 3.952 -13.829 1.00 0.00 C ATOM 2291 C ASP B 57 150.488 5.087 -13.168 1.00 0.00 C ATOM 2292 O ASP B 57 151.020 6.143 -12.885 1.00 0.00 O ATOM 2293 CB ASP B 57 151.018 3.954 -15.337 1.00 0.00 C ATOM 2294 CG ASP B 57 152.015 3.016 -16.024 1.00 0.00 C ATOM 2295 OD1 ASP B 57 153.073 2.793 -15.459 1.00 0.00 O ATOM 2296 OD2 ASP B 57 151.702 2.536 -17.101 1.00 0.00 O ATOM 0 H ASP B 57 150.342 2.024 -13.887 1.00 0.00 H new ATOM 0 HA ASP B 57 152.335 4.110 -13.637 1.00 0.00 H new ATOM 0 HB2 ASP B 57 149.997 3.632 -15.544 1.00 0.00 H new ATOM 0 HB3 ASP B 57 151.120 4.964 -15.733 1.00 0.00 H new ATOM 2301 N LEU B 58 149.238 4.879 -12.923 1.00 0.00 N ATOM 2302 CA LEU B 58 148.435 5.958 -12.282 1.00 0.00 C ATOM 2303 C LEU B 58 148.888 6.124 -10.828 1.00 0.00 C ATOM 2304 O LEU B 58 148.959 7.221 -10.311 1.00 0.00 O ATOM 2305 CB LEU B 58 146.946 5.613 -12.318 1.00 0.00 C ATOM 2306 CG LEU B 58 146.483 5.407 -13.770 1.00 0.00 C ATOM 2307 CD1 LEU B 58 144.991 5.050 -13.781 1.00 0.00 C ATOM 2308 CD2 LEU B 58 146.709 6.694 -14.587 1.00 0.00 C ATOM 0 H LEU B 58 148.732 4.019 -13.133 1.00 0.00 H new ATOM 0 HA LEU B 58 148.589 6.888 -12.829 1.00 0.00 H new ATOM 0 HB2 LEU B 58 146.761 4.709 -11.738 1.00 0.00 H new ATOM 0 HB3 LEU B 58 146.369 6.413 -11.855 1.00 0.00 H new ATOM 0 HG LEU B 58 147.060 4.598 -14.217 1.00 0.00 H new ATOM 0 HD11 LEU B 58 144.660 4.903 -14.809 1.00 0.00 H new ATOM 0 HD12 LEU B 58 144.832 4.133 -13.214 1.00 0.00 H new ATOM 0 HD13 LEU B 58 144.420 5.860 -13.328 1.00 0.00 H new ATOM 0 HD21 LEU B 58 146.378 6.536 -15.613 1.00 0.00 H new ATOM 0 HD22 LEU B 58 146.140 7.511 -14.143 1.00 0.00 H new ATOM 0 HD23 LEU B 58 147.769 6.946 -14.583 1.00 0.00 H new ATOM 2320 N PHE B 59 149.210 5.043 -10.165 1.00 0.00 N ATOM 2321 CA PHE B 59 149.674 5.146 -8.750 1.00 0.00 C ATOM 2322 C PHE B 59 150.985 5.933 -8.690 1.00 0.00 C ATOM 2323 O PHE B 59 151.174 6.782 -7.842 1.00 0.00 O ATOM 2324 CB PHE B 59 149.892 3.744 -8.174 1.00 0.00 C ATOM 2325 CG PHE B 59 150.344 3.847 -6.733 1.00 0.00 C ATOM 2326 CD1 PHE B 59 149.446 4.285 -5.751 1.00 0.00 C ATOM 2327 CD2 PHE B 59 151.654 3.499 -6.374 1.00 0.00 C ATOM 2328 CE1 PHE B 59 149.854 4.376 -4.415 1.00 0.00 C ATOM 2329 CE2 PHE B 59 152.062 3.591 -5.037 1.00 0.00 C ATOM 2330 CZ PHE B 59 151.162 4.029 -4.057 1.00 0.00 C ATOM 0 H PHE B 59 149.172 4.096 -10.542 1.00 0.00 H new ATOM 0 HA PHE B 59 148.916 5.664 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE B 59 148.969 3.168 -8.235 1.00 0.00 H new ATOM 0 HB3 PHE B 59 150.639 3.211 -8.762 1.00 0.00 H new ATOM 0 HD1 PHE B 59 148.436 4.553 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE B 59 152.349 3.160 -7.128 1.00 0.00 H new ATOM 0 HE1 PHE B 59 149.159 4.714 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE B 59 153.072 3.324 -4.762 1.00 0.00 H new ATOM 0 HZ PHE B 59 151.477 4.099 -3.026 1.00 0.00 H new ATOM 2340 N ARG B 60 151.903 5.635 -9.573 1.00 0.00 N ATOM 2341 CA ARG B 60 153.217 6.340 -9.554 1.00 0.00 C ATOM 2342 C ARG B 60 153.040 7.845 -9.748 1.00 0.00 C ATOM 2343 O ARG B 60 153.641 8.636 -9.047 1.00 0.00 O ATOM 2344 CB ARG B 60 154.104 5.801 -10.679 1.00 0.00 C ATOM 2345 CG ARG B 60 154.556 4.376 -10.356 1.00 0.00 C ATOM 2346 CD ARG B 60 155.289 3.792 -11.566 1.00 0.00 C ATOM 2347 NE ARG B 60 156.018 2.559 -11.155 1.00 0.00 N ATOM 2348 CZ ARG B 60 156.510 1.757 -12.060 1.00 0.00 C ATOM 2349 NH1 ARG B 60 156.335 2.018 -13.328 1.00 0.00 N ATOM 2350 NH2 ARG B 60 157.177 0.696 -11.699 1.00 0.00 N ATOM 0 H ARG B 60 151.798 4.934 -10.306 1.00 0.00 H new ATOM 0 HA ARG B 60 153.680 6.162 -8.583 1.00 0.00 H new ATOM 0 HB2 ARG B 60 153.556 5.812 -11.621 1.00 0.00 H new ATOM 0 HB3 ARG B 60 154.973 6.446 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG B 60 155.212 4.379 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG B 60 153.695 3.757 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG B 60 154.578 3.560 -12.359 1.00 0.00 H new ATOM 0 HD3 ARG B 60 155.989 4.524 -11.969 1.00 0.00 H new ATOM 0 HE ARG B 60 156.133 2.341 -10.165 1.00 0.00 H new ATOM 0 HH11 ARG B 60 155.814 2.848 -13.611 1.00 0.00 H new ATOM 0 HH12 ARG B 60 156.719 1.392 -14.035 1.00 0.00 H new ATOM 0 HH21 ARG B 60 157.314 0.492 -10.709 1.00 0.00 H new ATOM 0 HH22 ARG B 60 157.561 0.070 -12.407 1.00 0.00 H new ATOM 2364 N GLU B 61 152.237 8.263 -10.685 1.00 0.00 N ATOM 2365 CA GLU B 61 152.055 9.724 -10.893 1.00 0.00 C ATOM 2366 C GLU B 61 151.375 10.328 -9.663 1.00 0.00 C ATOM 2367 O GLU B 61 151.674 11.435 -9.261 1.00 0.00 O ATOM 2368 CB GLU B 61 151.190 9.965 -12.131 1.00 0.00 C ATOM 2369 CG GLU B 61 151.978 9.586 -13.387 1.00 0.00 C ATOM 2370 CD GLU B 61 153.120 10.580 -13.600 1.00 0.00 C ATOM 2371 OE1 GLU B 61 153.026 11.682 -13.087 1.00 0.00 O ATOM 2372 OE2 GLU B 61 154.072 10.220 -14.274 1.00 0.00 O ATOM 0 H GLU B 61 151.703 7.661 -11.311 1.00 0.00 H new ATOM 0 HA GLU B 61 153.027 10.195 -11.040 1.00 0.00 H new ATOM 0 HB2 GLU B 61 150.276 9.374 -12.070 1.00 0.00 H new ATOM 0 HB3 GLU B 61 150.890 11.012 -12.179 1.00 0.00 H new ATOM 0 HG2 GLU B 61 152.376 8.576 -13.287 1.00 0.00 H new ATOM 0 HG3 GLU B 61 151.318 9.584 -14.255 1.00 0.00 H new ATOM 2379 N TRP B 62 150.462 9.620 -9.065 1.00 0.00 N ATOM 2380 CA TRP B 62 149.770 10.173 -7.866 1.00 0.00 C ATOM 2381 C TRP B 62 150.771 10.459 -6.740 1.00 0.00 C ATOM 2382 O TRP B 62 150.771 11.523 -6.159 1.00 0.00 O ATOM 2383 CB TRP B 62 148.714 9.178 -7.356 1.00 0.00 C ATOM 2384 CG TRP B 62 148.205 9.646 -6.023 1.00 0.00 C ATOM 2385 CD1 TRP B 62 147.227 10.562 -5.839 1.00 0.00 C ATOM 2386 CD2 TRP B 62 148.662 9.259 -4.693 1.00 0.00 C ATOM 2387 NE1 TRP B 62 147.055 10.763 -4.479 1.00 0.00 N ATOM 2388 CE2 TRP B 62 147.916 9.980 -3.733 1.00 0.00 C ATOM 2389 CE3 TRP B 62 149.642 8.360 -4.233 1.00 0.00 C ATOM 2390 CZ2 TRP B 62 148.134 9.816 -2.363 1.00 0.00 C ATOM 2391 CZ3 TRP B 62 149.862 8.192 -2.856 1.00 0.00 C ATOM 2392 CH2 TRP B 62 149.109 8.919 -1.925 1.00 0.00 C ATOM 0 H TRP B 62 150.164 8.687 -9.351 1.00 0.00 H new ATOM 0 HA TRP B 62 149.287 11.105 -8.159 1.00 0.00 H new ATOM 0 HB2 TRP B 62 147.892 9.104 -8.068 1.00 0.00 H new ATOM 0 HB3 TRP B 62 149.148 8.182 -7.265 1.00 0.00 H new ATOM 0 HD1 TRP B 62 146.672 11.055 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP B 62 146.376 11.410 -4.077 1.00 0.00 H new ATOM 0 HE3 TRP B 62 150.228 7.796 -4.943 1.00 0.00 H new ATOM 0 HZ2 TRP B 62 147.552 10.379 -1.648 1.00 0.00 H new ATOM 0 HZ3 TRP B 62 150.616 7.499 -2.513 1.00 0.00 H new ATOM 0 HH2 TRP B 62 149.283 8.785 -0.868 1.00 0.00 H new ATOM 2403 N LEU B 63 151.608 9.518 -6.418 1.00 0.00 N ATOM 2404 CA LEU B 63 152.582 9.749 -5.314 1.00 0.00 C ATOM 2405 C LEU B 63 153.611 10.804 -5.727 1.00 0.00 C ATOM 2406 O LEU B 63 153.920 11.709 -4.977 1.00 0.00 O ATOM 2407 CB LEU B 63 153.294 8.429 -4.982 1.00 0.00 C ATOM 2408 CG LEU B 63 154.312 8.635 -3.847 1.00 0.00 C ATOM 2409 CD1 LEU B 63 153.606 9.139 -2.578 1.00 0.00 C ATOM 2410 CD2 LEU B 63 155.008 7.302 -3.553 1.00 0.00 C ATOM 0 H LEU B 63 151.663 8.603 -6.866 1.00 0.00 H new ATOM 0 HA LEU B 63 152.048 10.109 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU B 63 152.561 7.678 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU B 63 153.802 8.050 -5.869 1.00 0.00 H new ATOM 0 HG LEU B 63 155.046 9.379 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU B 63 154.340 9.280 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU B 63 153.113 10.088 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU B 63 152.864 8.407 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU B 63 155.732 7.439 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU B 63 154.266 6.563 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU B 63 155.522 6.955 -4.449 1.00 0.00 H new ATOM 2422 N LYS B 64 154.154 10.691 -6.905 1.00 0.00 N ATOM 2423 CA LYS B 64 155.171 11.681 -7.360 1.00 0.00 C ATOM 2424 C LYS B 64 154.569 13.085 -7.409 1.00 0.00 C ATOM 2425 O LYS B 64 155.130 14.032 -6.894 1.00 0.00 O ATOM 2426 CB LYS B 64 155.681 11.291 -8.749 1.00 0.00 C ATOM 2427 CG LYS B 64 156.733 12.304 -9.209 1.00 0.00 C ATOM 2428 CD LYS B 64 157.343 11.839 -10.529 1.00 0.00 C ATOM 2429 CE LYS B 64 158.422 12.831 -10.969 1.00 0.00 C ATOM 2430 NZ LYS B 64 159.209 12.243 -12.089 1.00 0.00 N ATOM 0 H LYS B 64 153.938 9.954 -7.576 1.00 0.00 H new ATOM 0 HA LYS B 64 156.000 11.682 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS B 64 156.112 10.290 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS B 64 154.853 11.263 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS B 64 156.278 13.287 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS B 64 157.511 12.406 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS B 64 157.774 10.844 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS B 64 156.569 11.764 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS B 64 157.963 13.768 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS B 64 159.079 13.065 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 159.943 12.916 -12.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 159.658 11.360 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 158.576 12.041 -12.889 1.00 0.00 H new ATOM 2444 N ASP B 65 153.436 13.228 -8.035 1.00 0.00 N ATOM 2445 CA ASP B 65 152.800 14.572 -8.132 1.00 0.00 C ATOM 2446 C ASP B 65 152.304 15.008 -6.756 1.00 0.00 C ATOM 2447 O ASP B 65 152.169 16.182 -6.477 1.00 0.00 O ATOM 2448 CB ASP B 65 151.618 14.510 -9.102 1.00 0.00 C ATOM 2449 CG ASP B 65 152.137 14.325 -10.529 1.00 0.00 C ATOM 2450 OD1 ASP B 65 153.146 14.929 -10.854 1.00 0.00 O ATOM 2451 OD2 ASP B 65 151.519 13.579 -11.271 1.00 0.00 O ATOM 0 H ASP B 65 152.921 12.471 -8.485 1.00 0.00 H new ATOM 0 HA ASP B 65 153.534 15.291 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP B 65 150.957 13.685 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP B 65 151.030 15.425 -9.034 1.00 0.00 H new ATOM 2456 N THR B 66 152.003 14.071 -5.900 1.00 0.00 N ATOM 2457 CA THR B 66 151.483 14.432 -4.553 1.00 0.00 C ATOM 2458 C THR B 66 152.621 14.840 -3.613 1.00 0.00 C ATOM 2459 O THR B 66 152.428 15.691 -2.767 1.00 0.00 O ATOM 2460 CB THR B 66 150.732 13.235 -3.960 1.00 0.00 C ATOM 2461 OG1 THR B 66 149.580 12.968 -4.748 1.00 0.00 O ATOM 2462 CG2 THR B 66 150.303 13.552 -2.525 1.00 0.00 C ATOM 0 H THR B 66 152.095 13.071 -6.076 1.00 0.00 H new ATOM 0 HA THR B 66 150.808 15.281 -4.660 1.00 0.00 H new ATOM 0 HB THR B 66 151.386 12.363 -3.955 1.00 0.00 H new ATOM 0 HG1 THR B 66 149.851 12.548 -5.591 1.00 0.00 H new ATOM 0 HG21 THR B 66 149.769 12.698 -2.108 1.00 0.00 H new ATOM 0 HG22 THR B 66 151.185 13.760 -1.919 1.00 0.00 H new ATOM 0 HG23 THR B 66 149.649 14.424 -2.525 1.00 0.00 H new ATOM 2470 N CYS B 67 153.790 14.238 -3.706 1.00 0.00 N ATOM 2471 CA CYS B 67 154.899 14.601 -2.759 1.00 0.00 C ATOM 2472 C CYS B 67 156.212 14.874 -3.495 1.00 0.00 C ATOM 2473 O CYS B 67 157.053 15.608 -3.016 1.00 0.00 O ATOM 2474 CB CYS B 67 155.114 13.441 -1.788 1.00 0.00 C ATOM 2475 SG CYS B 67 155.653 11.977 -2.705 1.00 0.00 S ATOM 0 H CYS B 67 154.021 13.518 -4.390 1.00 0.00 H new ATOM 0 HA CYS B 67 154.610 15.511 -2.233 1.00 0.00 H new ATOM 0 HB2 CYS B 67 155.861 13.711 -1.042 1.00 0.00 H new ATOM 0 HB3 CYS B 67 154.190 13.227 -1.251 1.00 0.00 H new ATOM 0 HG CYS B 67 154.818 11.740 -3.673 1.00 0.00 H new ATOM 2481 N GLY B 68 156.407 14.277 -4.644 1.00 0.00 N ATOM 2482 CA GLY B 68 157.680 14.486 -5.406 1.00 0.00 C ATOM 2483 C GLY B 68 158.548 13.233 -5.274 1.00 0.00 C ATOM 2484 O GLY B 68 159.726 13.248 -5.570 1.00 0.00 O ATOM 0 H GLY B 68 155.737 13.651 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY B 68 157.463 14.685 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY B 68 158.212 15.356 -5.020 1.00 0.00 H new ATOM 2488 N ALA B 69 157.978 12.142 -4.834 1.00 0.00 N ATOM 2489 CA ALA B 69 158.778 10.892 -4.692 1.00 0.00 C ATOM 2490 C ALA B 69 159.515 10.619 -6.001 1.00 0.00 C ATOM 2491 O ALA B 69 159.093 11.037 -7.060 1.00 0.00 O ATOM 2492 CB ALA B 69 157.851 9.718 -4.371 1.00 0.00 C ATOM 0 H ALA B 69 156.996 12.063 -4.568 1.00 0.00 H new ATOM 0 HA ALA B 69 159.498 11.009 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA B 69 158.440 8.807 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA B 69 157.323 9.916 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA B 69 157.128 9.594 -5.178 1.00 0.00 H new ATOM 2498 N ASN B 70 160.622 9.928 -5.941 1.00 0.00 N ATOM 2499 CA ASN B 70 161.395 9.642 -7.184 1.00 0.00 C ATOM 2500 C ASN B 70 160.925 8.320 -7.794 1.00 0.00 C ATOM 2501 O ASN B 70 160.155 7.587 -7.204 1.00 0.00 O ATOM 2502 CB ASN B 70 162.881 9.543 -6.835 1.00 0.00 C ATOM 2503 CG ASN B 70 163.716 9.591 -8.115 1.00 0.00 C ATOM 2504 OD1 ASN B 70 163.417 10.342 -9.023 1.00 0.00 O ATOM 2505 ND2 ASN B 70 164.758 8.815 -8.227 1.00 0.00 N ATOM 0 H ASN B 70 161.025 9.549 -5.084 1.00 0.00 H new ATOM 0 HA ASN B 70 161.236 10.444 -7.905 1.00 0.00 H new ATOM 0 HB2 ASN B 70 163.164 10.362 -6.174 1.00 0.00 H new ATOM 0 HB3 ASN B 70 163.077 8.616 -6.296 1.00 0.00 H new ATOM 0 HD21 ASN B 70 165.322 8.838 -9.076 1.00 0.00 H new ATOM 0 HD22 ASN B 70 165.009 8.185 -7.465 1.00 0.00 H new ATOM 2512 N ALA B 71 161.372 8.023 -8.981 1.00 0.00 N ATOM 2513 CA ALA B 71 160.951 6.763 -9.656 1.00 0.00 C ATOM 2514 C ALA B 71 161.351 5.539 -8.825 1.00 0.00 C ATOM 2515 O ALA B 71 160.667 4.535 -8.825 1.00 0.00 O ATOM 2516 CB ALA B 71 161.618 6.677 -11.031 1.00 0.00 C ATOM 0 H ALA B 71 162.016 8.604 -9.518 1.00 0.00 H new ATOM 0 HA ALA B 71 159.866 6.773 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA B 71 161.312 5.756 -11.527 1.00 0.00 H new ATOM 0 HB2 ALA B 71 161.317 7.532 -11.636 1.00 0.00 H new ATOM 0 HB3 ALA B 71 162.701 6.681 -10.911 1.00 0.00 H new ATOM 2522 N LYS B 72 162.456 5.593 -8.131 1.00 0.00 N ATOM 2523 CA LYS B 72 162.876 4.402 -7.334 1.00 0.00 C ATOM 2524 C LYS B 72 161.955 4.224 -6.124 1.00 0.00 C ATOM 2525 O LYS B 72 161.580 3.122 -5.770 1.00 0.00 O ATOM 2526 CB LYS B 72 164.315 4.592 -6.853 1.00 0.00 C ATOM 2527 CG LYS B 72 165.270 4.519 -8.046 1.00 0.00 C ATOM 2528 CD LYS B 72 166.707 4.711 -7.560 1.00 0.00 C ATOM 2529 CE LYS B 72 167.664 4.637 -8.752 1.00 0.00 C ATOM 2530 NZ LYS B 72 167.586 3.287 -9.374 1.00 0.00 N ATOM 0 H LYS B 72 163.080 6.399 -8.080 1.00 0.00 H new ATOM 0 HA LYS B 72 162.812 3.514 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS B 72 164.417 5.554 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS B 72 164.569 3.823 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS B 72 165.170 3.556 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS B 72 165.016 5.287 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS B 72 166.807 5.674 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS B 72 166.960 3.943 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS B 72 167.407 5.401 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS B 72 168.684 4.839 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 168.433 3.123 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 167.531 2.564 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 166.739 3.230 -9.975 1.00 0.00 H new ATOM 2544 N GLN B 73 161.607 5.300 -5.473 1.00 0.00 N ATOM 2545 CA GLN B 73 160.736 5.201 -4.269 1.00 0.00 C ATOM 2546 C GLN B 73 159.341 4.729 -4.657 1.00 0.00 C ATOM 2547 O GLN B 73 158.696 4.002 -3.926 1.00 0.00 O ATOM 2548 CB GLN B 73 160.640 6.571 -3.591 1.00 0.00 C ATOM 2549 CG GLN B 73 162.032 7.020 -3.144 1.00 0.00 C ATOM 2550 CD GLN B 73 162.547 6.082 -2.051 1.00 0.00 C ATOM 2551 OE1 GLN B 73 163.796 5.707 -2.068 1.00 0.00 O flip ATOM 2552 NE2 GLN B 73 161.803 5.678 -1.180 1.00 0.00 N flip ATOM 0 H GLN B 73 161.890 6.247 -5.725 1.00 0.00 H new ATOM 0 HA GLN B 73 161.173 4.478 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN B 73 160.215 7.301 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN B 73 159.971 6.517 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN B 73 162.716 7.016 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN B 73 161.993 8.043 -2.770 1.00 0.00 H new ATOM 0 HE21 GLN B 73 160.826 5.972 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN B 73 162.155 5.045 -0.462 1.00 0.00 H new ATOM 2561 N SER B 74 158.860 5.142 -5.794 1.00 0.00 N ATOM 2562 CA SER B 74 157.501 4.723 -6.214 1.00 0.00 C ATOM 2563 C SER B 74 157.477 3.215 -6.483 1.00 0.00 C ATOM 2564 O SER B 74 156.512 2.543 -6.176 1.00 0.00 O ATOM 2565 CB SER B 74 157.112 5.474 -7.487 1.00 0.00 C ATOM 2566 OG SER B 74 157.710 4.839 -8.609 1.00 0.00 O ATOM 0 H SER B 74 159.350 5.751 -6.449 1.00 0.00 H new ATOM 0 HA SER B 74 156.792 4.954 -5.419 1.00 0.00 H new ATOM 0 HB2 SER B 74 156.028 5.488 -7.598 1.00 0.00 H new ATOM 0 HB3 SER B 74 157.439 6.512 -7.425 1.00 0.00 H new ATOM 0 HG SER B 74 158.683 4.821 -8.495 1.00 0.00 H new ATOM 2572 N ARG B 75 158.523 2.668 -7.058 1.00 0.00 N ATOM 2573 CA ARG B 75 158.534 1.203 -7.339 1.00 0.00 C ATOM 2574 C ARG B 75 158.413 0.417 -6.035 1.00 0.00 C ATOM 2575 O ARG B 75 157.765 -0.610 -5.989 1.00 0.00 O ATOM 2576 CB ARG B 75 159.834 0.807 -8.042 1.00 0.00 C ATOM 2577 CG ARG B 75 159.849 1.365 -9.464 1.00 0.00 C ATOM 2578 CD ARG B 75 161.157 0.956 -10.144 1.00 0.00 C ATOM 2579 NE ARG B 75 161.213 1.528 -11.517 1.00 0.00 N ATOM 2580 CZ ARG B 75 162.348 1.567 -12.155 1.00 0.00 C ATOM 2581 NH1 ARG B 75 163.429 1.110 -11.584 1.00 0.00 N ATOM 2582 NH2 ARG B 75 162.405 2.061 -13.361 1.00 0.00 N ATOM 0 H ARG B 75 159.363 3.172 -7.342 1.00 0.00 H new ATOM 0 HA ARG B 75 157.687 0.972 -7.985 1.00 0.00 H new ATOM 0 HB2 ARG B 75 160.690 1.188 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG B 75 159.927 -0.279 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG B 75 158.997 0.985 -10.027 1.00 0.00 H new ATOM 0 HG3 ARG B 75 159.758 2.451 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG B 75 162.007 1.308 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG B 75 161.229 -0.131 -10.190 1.00 0.00 H new ATOM 0 HE ARG B 75 160.366 1.888 -11.957 1.00 0.00 H new ATOM 0 HH11 ARG B 75 163.383 0.724 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG B 75 164.319 1.139 -12.081 1.00 0.00 H new ATOM 0 HH21 ARG B 75 161.560 2.418 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG B 75 163.295 2.090 -13.859 1.00 0.00 H new ATOM 2596 N ASP B 76 159.046 0.854 -4.980 1.00 0.00 N ATOM 2597 CA ASP B 76 158.983 0.098 -3.698 1.00 0.00 C ATOM 2598 C ASP B 76 157.576 0.152 -3.109 1.00 0.00 C ATOM 2599 O ASP B 76 157.079 -0.825 -2.585 1.00 0.00 O ATOM 2600 CB ASP B 76 159.972 0.711 -2.705 1.00 0.00 C ATOM 2601 CG ASP B 76 161.404 0.413 -3.155 1.00 0.00 C ATOM 2602 OD1 ASP B 76 161.632 -0.675 -3.657 1.00 0.00 O ATOM 2603 OD2 ASP B 76 162.246 1.282 -2.995 1.00 0.00 O ATOM 0 H ASP B 76 159.606 1.706 -4.952 1.00 0.00 H new ATOM 0 HA ASP B 76 159.240 -0.944 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP B 76 159.817 1.788 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP B 76 159.801 0.304 -1.708 1.00 0.00 H new ATOM 2608 N CYS B 77 156.922 1.276 -3.184 1.00 0.00 N ATOM 2609 CA CYS B 77 155.550 1.364 -2.618 1.00 0.00 C ATOM 2610 C CYS B 77 154.582 0.513 -3.447 1.00 0.00 C ATOM 2611 O CYS B 77 153.703 -0.128 -2.905 1.00 0.00 O ATOM 2612 CB CYS B 77 155.088 2.821 -2.636 1.00 0.00 C ATOM 2613 SG CYS B 77 156.033 3.767 -1.416 1.00 0.00 S ATOM 0 H CYS B 77 157.276 2.132 -3.610 1.00 0.00 H new ATOM 0 HA CYS B 77 155.562 0.992 -1.593 1.00 0.00 H new ATOM 0 HB2 CYS B 77 155.228 3.246 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS B 77 154.023 2.879 -2.412 1.00 0.00 H new ATOM 0 HG CYS B 77 156.509 2.960 -0.515 1.00 0.00 H new ATOM 2619 N PHE B 78 154.701 0.511 -4.749 1.00 0.00 N ATOM 2620 CA PHE B 78 153.742 -0.295 -5.556 1.00 0.00 C ATOM 2621 C PHE B 78 153.840 -1.774 -5.180 1.00 0.00 C ATOM 2622 O PHE B 78 152.874 -2.383 -4.767 1.00 0.00 O ATOM 2623 CB PHE B 78 154.037 -0.128 -7.049 1.00 0.00 C ATOM 2624 CG PHE B 78 153.097 -1.010 -7.838 1.00 0.00 C ATOM 2625 CD1 PHE B 78 151.843 -0.525 -8.231 1.00 0.00 C ATOM 2626 CD2 PHE B 78 153.479 -2.315 -8.171 1.00 0.00 C ATOM 2627 CE1 PHE B 78 150.971 -1.346 -8.956 1.00 0.00 C ATOM 2628 CE2 PHE B 78 152.608 -3.136 -8.898 1.00 0.00 C ATOM 2629 CZ PHE B 78 151.354 -2.653 -9.290 1.00 0.00 C ATOM 0 H PHE B 78 155.407 1.022 -5.279 1.00 0.00 H new ATOM 0 HA PHE B 78 152.733 0.060 -5.346 1.00 0.00 H new ATOM 0 HB2 PHE B 78 153.912 0.914 -7.343 1.00 0.00 H new ATOM 0 HB3 PHE B 78 155.072 -0.397 -7.261 1.00 0.00 H new ATOM 0 HD1 PHE B 78 151.549 0.482 -7.975 1.00 0.00 H new ATOM 0 HD2 PHE B 78 154.446 -2.689 -7.867 1.00 0.00 H new ATOM 0 HE1 PHE B 78 150.004 -0.973 -9.258 1.00 0.00 H new ATOM 0 HE2 PHE B 78 152.904 -4.142 -9.156 1.00 0.00 H new ATOM 0 HZ PHE B 78 150.682 -3.287 -9.849 1.00 0.00 H new ATOM 2639 N GLY B 79 154.996 -2.359 -5.334 1.00 0.00 N ATOM 2640 CA GLY B 79 155.153 -3.803 -5.001 1.00 0.00 C ATOM 2641 C GLY B 79 154.845 -4.048 -3.523 1.00 0.00 C ATOM 2642 O GLY B 79 154.333 -5.083 -3.152 1.00 0.00 O ATOM 0 H GLY B 79 155.839 -1.899 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY B 79 154.485 -4.400 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY B 79 156.170 -4.126 -5.225 1.00 0.00 H new ATOM 2646 N CYS B 80 155.149 -3.106 -2.676 1.00 0.00 N ATOM 2647 CA CYS B 80 154.864 -3.304 -1.227 1.00 0.00 C ATOM 2648 C CYS B 80 153.352 -3.309 -1.003 1.00 0.00 C ATOM 2649 O CYS B 80 152.815 -4.185 -0.355 1.00 0.00 O ATOM 2650 CB CYS B 80 155.495 -2.169 -0.421 1.00 0.00 C ATOM 2651 SG CYS B 80 155.164 -2.425 1.341 1.00 0.00 S ATOM 0 H CYS B 80 155.579 -2.214 -2.920 1.00 0.00 H new ATOM 0 HA CYS B 80 155.284 -4.256 -0.901 1.00 0.00 H new ATOM 0 HB2 CYS B 80 156.570 -2.136 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS B 80 155.089 -1.210 -0.743 1.00 0.00 H new ATOM 0 HG CYS B 80 154.892 -1.284 1.902 1.00 0.00 H new ATOM 2657 N LEU B 81 152.658 -2.350 -1.549 1.00 0.00 N ATOM 2658 CA LEU B 81 151.179 -2.335 -1.373 1.00 0.00 C ATOM 2659 C LEU B 81 150.572 -3.491 -2.173 1.00 0.00 C ATOM 2660 O LEU B 81 149.658 -4.152 -1.724 1.00 0.00 O ATOM 2661 CB LEU B 81 150.610 -1.002 -1.870 1.00 0.00 C ATOM 2662 CG LEU B 81 151.143 0.149 -1.002 1.00 0.00 C ATOM 2663 CD1 LEU B 81 150.710 1.484 -1.615 1.00 0.00 C ATOM 2664 CD2 LEU B 81 150.595 0.038 0.435 1.00 0.00 C ATOM 0 H LEU B 81 153.044 -1.585 -2.103 1.00 0.00 H new ATOM 0 HA LEU B 81 150.933 -2.450 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU B 81 150.889 -0.843 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU B 81 149.521 -1.024 -1.831 1.00 0.00 H new ATOM 0 HG LEU B 81 152.231 0.093 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU B 81 151.085 2.304 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU B 81 151.114 1.569 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU B 81 149.622 1.530 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU B 81 150.982 0.860 1.037 1.00 0.00 H new ATOM 0 HD22 LEU B 81 149.506 0.085 0.414 1.00 0.00 H new ATOM 0 HD23 LEU B 81 150.909 -0.910 0.872 1.00 0.00 H new ATOM 2676 N ARG B 82 151.074 -3.745 -3.353 1.00 0.00 N ATOM 2677 CA ARG B 82 150.519 -4.864 -4.168 1.00 0.00 C ATOM 2678 C ARG B 82 150.687 -6.180 -3.398 1.00 0.00 C ATOM 2679 O ARG B 82 149.811 -7.020 -3.394 1.00 0.00 O ATOM 2680 CB ARG B 82 151.265 -4.940 -5.513 1.00 0.00 C ATOM 2681 CG ARG B 82 150.624 -5.998 -6.437 1.00 0.00 C ATOM 2682 CD ARG B 82 149.418 -5.404 -7.183 1.00 0.00 C ATOM 2683 NE ARG B 82 148.455 -6.501 -7.522 1.00 0.00 N ATOM 2684 CZ ARG B 82 148.837 -7.563 -8.180 1.00 0.00 C ATOM 2685 NH1 ARG B 82 150.022 -7.611 -8.724 1.00 0.00 N ATOM 2686 NH2 ARG B 82 148.010 -8.558 -8.341 1.00 0.00 N ATOM 0 H ARG B 82 151.840 -3.229 -3.785 1.00 0.00 H new ATOM 0 HA ARG B 82 149.460 -4.692 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG B 82 151.245 -3.965 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG B 82 152.312 -5.189 -5.340 1.00 0.00 H new ATOM 0 HG2 ARG B 82 151.362 -6.357 -7.155 1.00 0.00 H new ATOM 0 HG3 ARG B 82 150.307 -6.859 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG B 82 148.928 -4.652 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG B 82 149.749 -4.902 -8.092 1.00 0.00 H new ATOM 0 HE ARG B 82 147.480 -6.417 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG B 82 150.656 -6.817 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG B 82 150.315 -8.443 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG B 82 147.068 -8.506 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG B 82 148.305 -9.389 -8.854 1.00 0.00 H new ATOM 2700 N GLU B 83 151.807 -6.370 -2.754 1.00 0.00 N ATOM 2701 CA GLU B 83 152.033 -7.634 -1.993 1.00 0.00 C ATOM 2702 C GLU B 83 151.142 -7.707 -0.744 1.00 0.00 C ATOM 2703 O GLU B 83 150.615 -8.755 -0.429 1.00 0.00 O ATOM 2704 CB GLU B 83 153.507 -7.737 -1.584 1.00 0.00 C ATOM 2705 CG GLU B 83 154.354 -8.126 -2.800 1.00 0.00 C ATOM 2706 CD GLU B 83 155.825 -8.228 -2.389 1.00 0.00 C ATOM 2707 OE1 GLU B 83 156.139 -7.827 -1.281 1.00 0.00 O ATOM 2708 OE2 GLU B 83 156.610 -8.710 -3.189 1.00 0.00 O ATOM 0 H GLU B 83 152.578 -5.703 -2.722 1.00 0.00 H new ATOM 0 HA GLU B 83 151.771 -8.469 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU B 83 153.850 -6.785 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU B 83 153.624 -8.479 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU B 83 154.012 -9.079 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU B 83 154.237 -7.384 -3.590 1.00 0.00 H new ATOM 2715 N TRP B 84 150.948 -6.628 -0.024 1.00 0.00 N ATOM 2716 CA TRP B 84 150.072 -6.704 1.182 1.00 0.00 C ATOM 2717 C TRP B 84 148.673 -7.138 0.741 1.00 0.00 C ATOM 2718 O TRP B 84 148.039 -7.973 1.355 1.00 0.00 O ATOM 2719 CB TRP B 84 149.997 -5.336 1.868 1.00 0.00 C ATOM 2720 CG TRP B 84 149.254 -5.472 3.161 1.00 0.00 C ATOM 2721 CD1 TRP B 84 149.831 -5.725 4.359 1.00 0.00 C ATOM 2722 CD2 TRP B 84 147.821 -5.378 3.409 1.00 0.00 C ATOM 2723 NE1 TRP B 84 148.845 -5.787 5.327 1.00 0.00 N ATOM 2724 CE2 TRP B 84 147.589 -5.581 4.792 1.00 0.00 C ATOM 2725 CE3 TRP B 84 146.710 -5.137 2.582 1.00 0.00 C ATOM 2726 CZ2 TRP B 84 146.303 -5.548 5.332 1.00 0.00 C ATOM 2727 CZ3 TRP B 84 145.413 -5.104 3.123 1.00 0.00 C ATOM 2728 CH2 TRP B 84 145.210 -5.309 4.495 1.00 0.00 C ATOM 0 H TRP B 84 151.353 -5.712 -0.217 1.00 0.00 H new ATOM 0 HA TRP B 84 150.483 -7.424 1.890 1.00 0.00 H new ATOM 0 HB2 TRP B 84 151.001 -4.952 2.051 1.00 0.00 H new ATOM 0 HB3 TRP B 84 149.494 -4.618 1.220 1.00 0.00 H new ATOM 0 HD1 TRP B 84 150.889 -5.857 4.531 1.00 0.00 H new ATOM 0 HE1 TRP B 84 149.024 -5.963 6.316 1.00 0.00 H new ATOM 0 HE3 TRP B 84 146.854 -4.976 1.524 1.00 0.00 H new ATOM 0 HZ2 TRP B 84 146.153 -5.706 6.390 1.00 0.00 H new ATOM 0 HZ3 TRP B 84 144.567 -4.919 2.477 1.00 0.00 H new ATOM 0 HH2 TRP B 84 144.211 -5.282 4.904 1.00 0.00 H new ATOM 2739 N CYS B 85 148.189 -6.562 -0.326 1.00 0.00 N ATOM 2740 CA CYS B 85 146.831 -6.924 -0.825 1.00 0.00 C ATOM 2741 C CYS B 85 146.806 -8.404 -1.213 1.00 0.00 C ATOM 2742 O CYS B 85 145.847 -9.106 -0.963 1.00 0.00 O ATOM 2743 CB CYS B 85 146.491 -6.068 -2.044 1.00 0.00 C ATOM 2744 SG CYS B 85 146.189 -4.364 -1.516 1.00 0.00 S ATOM 0 H CYS B 85 148.677 -5.854 -0.875 1.00 0.00 H new ATOM 0 HA CYS B 85 146.096 -6.744 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS B 85 147.310 -6.098 -2.763 1.00 0.00 H new ATOM 0 HB3 CYS B 85 145.610 -6.466 -2.547 1.00 0.00 H new ATOM 0 HG CYS B 85 145.902 -3.633 -2.552 1.00 0.00 H new ATOM 2750 N ASP B 86 147.855 -8.878 -1.821 1.00 0.00 N ATOM 2751 CA ASP B 86 147.904 -10.308 -2.230 1.00 0.00 C ATOM 2752 C ASP B 86 147.758 -11.203 -0.998 1.00 0.00 C ATOM 2753 O ASP B 86 147.200 -12.280 -1.065 1.00 0.00 O ATOM 2754 CB ASP B 86 149.242 -10.599 -2.916 1.00 0.00 C ATOM 2755 CG ASP B 86 149.282 -9.903 -4.279 1.00 0.00 C ATOM 2756 OD1 ASP B 86 148.220 -9.604 -4.801 1.00 0.00 O ATOM 2757 OD2 ASP B 86 150.374 -9.680 -4.777 1.00 0.00 O ATOM 0 H ASP B 86 148.686 -8.334 -2.054 1.00 0.00 H new ATOM 0 HA ASP B 86 147.087 -10.512 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP B 86 150.065 -10.249 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP B 86 149.372 -11.674 -3.041 1.00 0.00 H new ATOM 2762 N ALA B 87 148.268 -10.773 0.128 1.00 0.00 N ATOM 2763 CA ALA B 87 148.171 -11.612 1.360 1.00 0.00 C ATOM 2764 C ALA B 87 146.861 -11.325 2.096 1.00 0.00 C ATOM 2765 O ALA B 87 146.278 -12.208 2.694 1.00 0.00 O ATOM 2766 CB ALA B 87 149.345 -11.290 2.289 1.00 0.00 C ATOM 0 H ALA B 87 148.746 -9.880 0.247 1.00 0.00 H new ATOM 0 HA ALA B 87 148.198 -12.663 1.072 1.00 0.00 H new ATOM 0 HB1 ALA B 87 149.275 -11.902 3.189 1.00 0.00 H new ATOM 0 HB2 ALA B 87 150.283 -11.503 1.777 1.00 0.00 H new ATOM 0 HB3 ALA B 87 149.313 -10.236 2.564 1.00 0.00 H new ATOM 2772 N PHE B 88 146.407 -10.095 2.084 1.00 0.00 N ATOM 2773 CA PHE B 88 145.146 -9.747 2.815 1.00 0.00 C ATOM 2774 C PHE B 88 143.996 -9.547 1.827 1.00 0.00 C ATOM 2775 O PHE B 88 143.236 -10.458 1.564 1.00 0.00 O ATOM 2776 CB PHE B 88 145.367 -8.458 3.609 1.00 0.00 C ATOM 2777 CG PHE B 88 146.299 -8.739 4.765 1.00 0.00 C ATOM 2778 CD1 PHE B 88 145.797 -9.305 5.944 1.00 0.00 C ATOM 2779 CD2 PHE B 88 147.665 -8.436 4.660 1.00 0.00 C ATOM 2780 CE1 PHE B 88 146.657 -9.568 7.017 1.00 0.00 C ATOM 2781 CE2 PHE B 88 148.524 -8.697 5.737 1.00 0.00 C ATOM 2782 CZ PHE B 88 148.020 -9.263 6.913 1.00 0.00 C ATOM 0 H PHE B 88 146.854 -9.317 1.600 1.00 0.00 H new ATOM 0 HA PHE B 88 144.889 -10.562 3.491 1.00 0.00 H new ATOM 0 HB2 PHE B 88 145.790 -7.688 2.964 1.00 0.00 H new ATOM 0 HB3 PHE B 88 144.415 -8.077 3.978 1.00 0.00 H new ATOM 0 HD1 PHE B 88 144.746 -9.539 6.025 1.00 0.00 H new ATOM 0 HD2 PHE B 88 148.054 -8.002 3.751 1.00 0.00 H new ATOM 0 HE1 PHE B 88 146.269 -10.006 7.925 1.00 0.00 H new ATOM 0 HE2 PHE B 88 149.575 -8.461 5.659 1.00 0.00 H new ATOM 0 HZ PHE B 88 148.683 -9.465 7.742 1.00 0.00 H new ATOM 2792 N LEU B 89 143.844 -8.367 1.281 1.00 0.00 N ATOM 2793 CA LEU B 89 142.727 -8.124 0.320 1.00 0.00 C ATOM 2794 C LEU B 89 143.127 -8.680 -1.049 1.00 0.00 C ATOM 2795 O LEU B 89 143.689 -7.930 -1.831 1.00 0.00 O ATOM 2796 CB LEU B 89 142.485 -6.606 0.205 1.00 0.00 C ATOM 2797 CG LEU B 89 141.284 -6.302 -0.722 1.00 0.00 C ATOM 2798 CD1 LEU B 89 139.965 -6.433 0.048 1.00 0.00 C ATOM 2799 CD2 LEU B 89 141.401 -4.871 -1.262 1.00 0.00 C ATOM 2800 OXT LEU B 89 142.865 -9.847 -1.292 1.00 0.00 O ATOM 0 H LEU B 89 144.445 -7.562 1.459 1.00 0.00 H new ATOM 0 HA LEU B 89 141.817 -8.614 0.667 1.00 0.00 H new ATOM 0 HB2 LEU B 89 142.299 -6.188 1.195 1.00 0.00 H new ATOM 0 HB3 LEU B 89 143.380 -6.120 -0.183 1.00 0.00 H new ATOM 0 HG LEU B 89 141.293 -7.017 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU B 89 139.131 -6.216 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU B 89 139.867 -7.448 0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 89 139.958 -5.728 0.879 1.00 0.00 H new ATOM 0 HD21 LEU B 89 140.554 -4.658 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU B 89 141.403 -4.167 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU B 89 142.328 -4.770 -1.826 1.00 0.00 H new TER 2812 LEU B 89