USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -0.383 X(o=-0.38,f=0.014) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -148:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.593 F(o=-2.5!,f=-0.59) USER MOD Single : A 10 SER OG : rot 85:sc= 1.15 USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -0.805 (180deg=-0.838) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.304 F(o=-1.6,f=-0.3) USER MOD Single : A 16 ASN : amide:sc= -1.99 K(o=-2,f=-4.9!) USER MOD Single : A 18 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-5.1!) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= -0.228 (180deg=-0.89) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -0.288 (180deg=-1.18!) USER MOD Single : A 26 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 27 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.1) USER MOD Single : A 28 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.21) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= 0.254 (180deg=-0.318) USER MOD Single : A 35 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.539 F(o=-1.3,f=-0.54) USER MOD Single : A 39 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.5) USER MOD Single : A 40 ASN : amide:sc= -0.929 X(o=-0.93,f=-1.3) USER MOD Single : A 42 SER OG : rot 46:sc= 0.582 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0677 USER MOD Single : A 48 HIS : no HE2:sc= -0.636 K(o=-0.64,f=-2.4!) USER MOD Single : A 49 MET CE :methyl 150:sc= -0.759 (180deg=-2.89!) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -0.0101 (180deg=-0.0173) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0028) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 174:sc= -3.31! (180deg=-3.67!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= 0.963 (180deg=0.0736) USER MOD Single : A 71 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.54) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.020 -2.135 9.309 1.00 0.00 N ATOM 2 CA MET A 1 -16.371 -2.782 8.018 1.00 0.00 C ATOM 3 C MET A 1 -15.272 -3.738 7.564 1.00 0.00 C ATOM 4 O MET A 1 -15.460 -4.954 7.552 1.00 0.00 O ATOM 5 CB MET A 1 -16.586 -1.689 6.969 1.00 0.00 C ATOM 6 CG MET A 1 -18.024 -1.199 6.888 1.00 0.00 C ATOM 7 SD MET A 1 -18.203 0.528 7.377 1.00 0.00 S ATOM 8 CE MET A 1 -19.462 1.076 6.227 1.00 0.00 C ATOM 0 H1 MET A 1 -16.785 -1.490 9.594 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.892 -2.864 10.039 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.137 -1.597 9.199 1.00 0.00 H new ATOM 0 HA MET A 1 -17.282 -3.366 8.146 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.935 -0.845 7.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.285 -2.069 5.993 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.388 -1.323 5.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.651 -1.820 7.528 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.683 2.129 6.404 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.103 0.947 5.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.367 0.486 6.371 1.00 0.00 H new ATOM 20 N PHE A 2 -14.125 -3.179 7.191 1.00 0.00 N ATOM 21 CA PHE A 2 -12.997 -3.984 6.736 1.00 0.00 C ATOM 22 C PHE A 2 -12.094 -4.362 7.906 1.00 0.00 C ATOM 23 O PHE A 2 -11.838 -3.549 8.794 1.00 0.00 O ATOM 24 CB PHE A 2 -12.193 -3.224 5.680 1.00 0.00 C ATOM 25 CG PHE A 2 -11.780 -1.847 6.114 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.686 -1.666 6.945 1.00 0.00 C ATOM 27 CD2 PHE A 2 -12.486 -0.732 5.690 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.304 -0.400 7.345 1.00 0.00 C ATOM 29 CE2 PHE A 2 -12.109 0.537 6.087 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.016 0.704 6.915 1.00 0.00 C ATOM 0 H PHE A 2 -13.952 -2.174 7.195 1.00 0.00 H new ATOM 0 HA PHE A 2 -13.390 -4.899 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.302 -3.800 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.787 -3.146 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.125 -2.525 7.284 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -13.341 -0.856 5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.450 -0.273 7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -12.668 1.397 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.718 1.695 7.226 1.00 0.00 H new ATOM 40 N HIS A 3 -11.614 -5.601 7.901 1.00 0.00 N ATOM 41 CA HIS A 3 -10.740 -6.087 8.962 1.00 0.00 C ATOM 42 C HIS A 3 -9.383 -6.501 8.405 1.00 0.00 C ATOM 43 O HIS A 3 -8.345 -6.230 9.005 1.00 0.00 O ATOM 44 CB HIS A 3 -11.390 -7.269 9.685 1.00 0.00 C ATOM 45 CG HIS A 3 -12.824 -7.036 10.045 1.00 0.00 C ATOM 46 ND1 HIS A 3 -13.868 -6.609 9.295 1.00 0.00 N flip ATOM 47 CD2 HIS A 3 -13.326 -7.246 11.313 1.00 0.00 C flip ATOM 48 CE1 HIS A 3 -14.968 -6.570 10.116 1.00 0.00 C flip ATOM 49 NE2 HIS A 3 -14.616 -6.960 11.326 1.00 0.00 N flip ATOM 0 H HIS A 3 -11.816 -6.287 7.174 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.587 -5.274 9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.322 -8.153 9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.826 -7.483 10.593 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.754 -7.590 12.162 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.962 -6.269 9.819 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.234 -7.029 12.134 1.00 0.00 H new ATOM 58 N GLU A 4 -9.401 -7.160 7.254 1.00 0.00 N ATOM 59 CA GLU A 4 -8.172 -7.617 6.612 1.00 0.00 C ATOM 60 C GLU A 4 -7.445 -6.468 5.912 1.00 0.00 C ATOM 61 O GLU A 4 -6.344 -6.636 5.393 1.00 0.00 O ATOM 62 CB GLU A 4 -8.482 -8.725 5.603 1.00 0.00 C ATOM 63 CG GLU A 4 -8.566 -10.109 6.226 1.00 0.00 C ATOM 64 CD GLU A 4 -9.994 -10.551 6.474 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.892 -10.102 5.731 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.216 -11.347 7.411 1.00 0.00 O ATOM 0 H GLU A 4 -10.253 -7.391 6.744 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.518 -8.008 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.427 -8.500 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.712 -8.729 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.075 -10.829 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.020 -10.113 7.169 1.00 0.00 H new ATOM 73 N PHE A 5 -8.058 -5.297 5.901 1.00 0.00 N ATOM 74 CA PHE A 5 -7.456 -4.134 5.276 1.00 0.00 C ATOM 75 C PHE A 5 -6.634 -3.353 6.285 1.00 0.00 C ATOM 76 O PHE A 5 -5.737 -2.595 5.925 1.00 0.00 O ATOM 77 CB PHE A 5 -8.521 -3.236 4.672 1.00 0.00 C ATOM 78 CG PHE A 5 -9.130 -3.784 3.412 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.768 -5.015 3.413 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.064 -3.068 2.229 1.00 0.00 C ATOM 81 CE1 PHE A 5 -10.329 -5.519 2.254 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.623 -3.568 1.067 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.256 -4.796 1.080 1.00 0.00 C ATOM 0 H PHE A 5 -8.973 -5.127 6.318 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.799 -4.482 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.310 -3.078 5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.083 -2.261 4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.827 -5.586 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.570 -2.108 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.824 -6.479 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.565 -2.999 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.693 -5.189 0.174 1.00 0.00 H new ATOM 93 N ARG A 6 -6.947 -3.544 7.554 1.00 0.00 N ATOM 94 CA ARG A 6 -6.230 -2.873 8.620 1.00 0.00 C ATOM 95 C ARG A 6 -5.521 -3.903 9.476 1.00 0.00 C ATOM 96 O ARG A 6 -4.454 -3.641 10.028 1.00 0.00 O ATOM 97 CB ARG A 6 -7.179 -2.024 9.470 1.00 0.00 C ATOM 98 CG ARG A 6 -8.365 -2.797 10.025 1.00 0.00 C ATOM 99 CD ARG A 6 -8.125 -3.230 11.463 1.00 0.00 C ATOM 100 NE ARG A 6 -8.380 -2.148 12.411 1.00 0.00 N ATOM 101 CZ ARG A 6 -8.490 -2.326 13.725 1.00 0.00 C ATOM 102 NH1 ARG A 6 -8.362 -3.538 14.250 1.00 0.00 N ATOM 103 NH2 ARG A 6 -8.726 -1.289 14.518 1.00 0.00 N ATOM 0 H ARG A 6 -7.695 -4.160 7.871 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.492 -2.202 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.620 -1.591 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.548 -1.195 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.260 -2.177 9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.550 -3.675 9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.769 -4.077 11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.096 -3.572 11.572 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.479 -1.201 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.178 -4.339 13.646 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.447 -3.669 15.258 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.823 -0.355 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.810 -1.426 15.525 1.00 0.00 H new ATOM 117 N ASP A 7 -6.111 -5.089 9.566 1.00 0.00 N ATOM 118 CA ASP A 7 -5.515 -6.162 10.333 1.00 0.00 C ATOM 119 C ASP A 7 -4.605 -6.998 9.450 1.00 0.00 C ATOM 120 O ASP A 7 -3.595 -7.520 9.917 1.00 0.00 O ATOM 121 CB ASP A 7 -6.590 -7.043 10.974 1.00 0.00 C ATOM 122 CG ASP A 7 -7.611 -6.238 11.754 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.207 -5.507 12.683 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.814 -6.338 11.436 1.00 0.00 O ATOM 0 H ASP A 7 -6.996 -5.326 9.118 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.921 -5.718 11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.099 -7.613 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.115 -7.764 11.639 1.00 0.00 H new ATOM 129 N GLU A 8 -4.938 -7.106 8.165 1.00 0.00 N ATOM 130 CA GLU A 8 -4.093 -7.866 7.259 1.00 0.00 C ATOM 131 C GLU A 8 -3.070 -6.943 6.626 1.00 0.00 C ATOM 132 O GLU A 8 -1.985 -7.374 6.240 1.00 0.00 O ATOM 133 CB GLU A 8 -4.912 -8.587 6.189 1.00 0.00 C ATOM 134 CG GLU A 8 -4.609 -10.072 6.086 1.00 0.00 C ATOM 135 CD GLU A 8 -4.372 -10.523 4.658 1.00 0.00 C ATOM 136 OE1 GLU A 8 -4.763 -9.784 3.729 1.00 0.00 O ATOM 137 OE2 GLU A 8 -3.798 -11.616 4.467 1.00 0.00 O ATOM 0 H GLU A 8 -5.765 -6.687 7.740 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.577 -8.635 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.972 -8.456 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.724 -8.119 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.728 -10.301 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.439 -10.638 6.509 1.00 0.00 H new ATOM 144 N ILE A 9 -3.412 -5.660 6.525 1.00 0.00 N ATOM 145 CA ILE A 9 -2.491 -4.700 5.944 1.00 0.00 C ATOM 146 C ILE A 9 -1.516 -4.174 6.985 1.00 0.00 C ATOM 147 O ILE A 9 -0.386 -3.816 6.658 1.00 0.00 O ATOM 148 CB ILE A 9 -3.226 -3.512 5.297 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.243 -4.015 4.266 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.227 -2.553 4.659 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.856 -2.919 3.420 1.00 0.00 C ATOM 0 H ILE A 9 -4.304 -5.272 6.833 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.942 -5.233 5.168 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.768 -2.969 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.754 -4.735 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.040 -4.547 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.762 -1.719 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.546 -2.176 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.657 -3.078 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.564 -3.356 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.376 -2.210 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.070 -2.401 2.870 1.00 0.00 H new ATOM 163 N SER A 10 -1.944 -4.110 8.239 1.00 0.00 N ATOM 164 CA SER A 10 -1.067 -3.607 9.284 1.00 0.00 C ATOM 165 C SER A 10 -0.264 -4.717 9.949 1.00 0.00 C ATOM 166 O SER A 10 0.765 -4.454 10.568 1.00 0.00 O ATOM 167 CB SER A 10 -1.863 -2.831 10.333 1.00 0.00 C ATOM 168 OG SER A 10 -2.733 -1.893 9.725 1.00 0.00 O ATOM 0 H SER A 10 -2.873 -4.394 8.552 1.00 0.00 H new ATOM 0 HA SER A 10 -0.358 -2.933 8.803 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.441 -3.526 10.942 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.178 -2.313 11.004 1.00 0.00 H new ATOM 0 HG SER A 10 -3.568 -2.338 9.471 1.00 0.00 H new ATOM 174 N VAL A 11 -0.732 -5.952 9.843 1.00 0.00 N ATOM 175 CA VAL A 11 -0.027 -7.065 10.466 1.00 0.00 C ATOM 176 C VAL A 11 0.984 -7.704 9.521 1.00 0.00 C ATOM 177 O VAL A 11 2.087 -8.067 9.931 1.00 0.00 O ATOM 178 CB VAL A 11 -1.004 -8.139 10.988 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.248 -9.322 11.578 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.948 -7.540 12.020 1.00 0.00 C ATOM 0 H VAL A 11 -1.582 -6.208 9.341 1.00 0.00 H new ATOM 0 HA VAL A 11 0.515 -6.645 11.313 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.594 -8.501 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.959 -10.065 11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.385 -9.768 10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.372 -8.981 12.407 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.631 -8.310 12.379 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.370 -7.149 12.857 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.520 -6.732 11.564 1.00 0.00 H new ATOM 190 N LEU A 12 0.600 -7.853 8.264 1.00 0.00 N ATOM 191 CA LEU A 12 1.475 -8.466 7.271 1.00 0.00 C ATOM 192 C LEU A 12 2.340 -7.434 6.572 1.00 0.00 C ATOM 193 O LEU A 12 3.502 -7.693 6.267 1.00 0.00 O ATOM 194 CB LEU A 12 0.658 -9.222 6.227 1.00 0.00 C ATOM 195 CG LEU A 12 -0.670 -9.784 6.725 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.532 -10.226 5.553 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.433 -10.940 7.685 1.00 0.00 C ATOM 0 H LEU A 12 -0.309 -7.560 7.905 1.00 0.00 H new ATOM 0 HA LEU A 12 2.124 -9.161 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.460 -8.553 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.261 -10.044 5.842 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.200 -8.997 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.476 -10.624 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.729 -9.373 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.010 -10.998 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.391 -11.329 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.116 -11.731 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.146 -10.590 8.540 1.00 0.00 H new ATOM 209 N LYS A 13 1.766 -6.273 6.297 1.00 0.00 N ATOM 210 CA LYS A 13 2.504 -5.227 5.602 1.00 0.00 C ATOM 211 C LYS A 13 3.395 -4.436 6.552 1.00 0.00 C ATOM 212 O LYS A 13 4.440 -3.926 6.148 1.00 0.00 O ATOM 213 CB LYS A 13 1.547 -4.296 4.859 1.00 0.00 C ATOM 214 CG LYS A 13 1.857 -4.172 3.377 1.00 0.00 C ATOM 215 CD LYS A 13 3.288 -3.717 3.137 1.00 0.00 C ATOM 216 CE LYS A 13 4.216 -4.892 2.865 1.00 0.00 C ATOM 217 NZ LYS A 13 5.382 -4.903 3.789 1.00 0.00 N ATOM 0 H LYS A 13 0.805 -6.032 6.540 1.00 0.00 H new ATOM 0 HA LYS A 13 3.154 -5.713 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.528 -4.663 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.586 -3.307 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.694 -5.133 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.168 -3.462 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.314 -3.030 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.645 -3.166 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.661 -5.824 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.569 -4.845 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.954 -5.755 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.963 -4.057 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.045 -4.905 4.773 1.00 0.00 H new ATOM 231 N ALA A 14 2.998 -4.347 7.815 1.00 0.00 N ATOM 232 CA ALA A 14 3.793 -3.628 8.802 1.00 0.00 C ATOM 233 C ALA A 14 4.852 -4.539 9.414 1.00 0.00 C ATOM 234 O ALA A 14 5.665 -4.100 10.229 1.00 0.00 O ATOM 235 CB ALA A 14 2.903 -3.041 9.886 1.00 0.00 C ATOM 0 H ALA A 14 2.139 -4.759 8.178 1.00 0.00 H new ATOM 0 HA ALA A 14 4.301 -2.808 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.517 -2.509 10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.191 -2.349 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.362 -3.844 10.387 1.00 0.00 H new ATOM 241 N ASN A 15 4.830 -5.813 9.029 1.00 0.00 N ATOM 242 CA ASN A 15 5.784 -6.786 9.555 1.00 0.00 C ATOM 243 C ASN A 15 6.449 -7.599 8.454 1.00 0.00 C ATOM 244 O ASN A 15 7.236 -8.503 8.739 1.00 0.00 O ATOM 245 CB ASN A 15 5.092 -7.722 10.547 1.00 0.00 C ATOM 246 CG ASN A 15 4.457 -6.972 11.702 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.374 -6.258 11.419 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.932 -7.035 12.835 1.00 0.00 N flip ATOM 0 H ASN A 15 4.164 -6.195 8.357 1.00 0.00 H new ATOM 0 HA ASN A 15 6.567 -6.224 10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.327 -8.297 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.818 -8.436 10.936 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.766 -7.596 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.492 -6.526 13.602 1.00 0.00 H new ATOM 255 N ASN A 16 6.148 -7.287 7.200 1.00 0.00 N ATOM 256 CA ASN A 16 6.748 -8.013 6.095 1.00 0.00 C ATOM 257 C ASN A 16 8.132 -7.454 5.770 1.00 0.00 C ATOM 258 O ASN A 16 8.352 -6.246 5.840 1.00 0.00 O ATOM 259 CB ASN A 16 5.852 -7.959 4.856 1.00 0.00 C ATOM 260 CG ASN A 16 5.051 -9.231 4.665 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.470 -10.312 5.082 1.00 0.00 O ATOM 262 ND2 ASN A 16 3.890 -9.110 4.032 1.00 0.00 N ATOM 0 H ASN A 16 5.501 -6.547 6.928 1.00 0.00 H new ATOM 0 HA ASN A 16 6.855 -9.055 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.170 -7.113 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.468 -7.785 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.307 -9.932 3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.581 -8.195 3.703 1.00 0.00 H new ATOM 269 N PRO A 17 9.088 -8.325 5.403 1.00 0.00 N ATOM 270 CA PRO A 17 10.453 -7.908 5.067 1.00 0.00 C ATOM 271 C PRO A 17 10.481 -6.747 4.085 1.00 0.00 C ATOM 272 O PRO A 17 11.459 -6.004 4.013 1.00 0.00 O ATOM 273 CB PRO A 17 11.086 -9.165 4.444 1.00 0.00 C ATOM 274 CG PRO A 17 9.964 -10.136 4.258 1.00 0.00 C ATOM 275 CD PRO A 17 8.924 -9.778 5.280 1.00 0.00 C ATOM 0 HA PRO A 17 10.989 -7.547 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.563 -8.932 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.857 -9.578 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.556 -10.071 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.309 -11.161 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.921 -10.047 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.094 -10.288 6.228 1.00 0.00 H new ATOM 283 N HIS A 18 9.403 -6.596 3.336 1.00 0.00 N ATOM 284 CA HIS A 18 9.293 -5.527 2.361 1.00 0.00 C ATOM 285 C HIS A 18 8.939 -4.206 3.040 1.00 0.00 C ATOM 286 O HIS A 18 9.293 -3.134 2.552 1.00 0.00 O ATOM 287 CB HIS A 18 8.236 -5.896 1.330 1.00 0.00 C ATOM 288 CG HIS A 18 8.670 -5.667 -0.084 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.655 -4.768 -0.434 1.00 0.00 N ATOM 290 CD2 HIS A 18 8.248 -6.228 -1.242 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.820 -4.784 -1.745 1.00 0.00 C ATOM 292 NE2 HIS A 18 8.978 -5.663 -2.258 1.00 0.00 N ATOM 0 H HIS A 18 8.586 -7.205 3.386 1.00 0.00 H new ATOM 0 HA HIS A 18 10.255 -5.398 1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.971 -6.946 1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.334 -5.315 1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.480 -6.980 -1.347 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.523 -4.182 -2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.885 -5.886 -3.249 1.00 0.00 H new ATOM 301 N PHE A 19 8.241 -4.289 4.172 1.00 0.00 N ATOM 302 CA PHE A 19 7.845 -3.093 4.912 1.00 0.00 C ATOM 303 C PHE A 19 9.042 -2.170 5.117 1.00 0.00 C ATOM 304 O PHE A 19 8.914 -0.949 5.102 1.00 0.00 O ATOM 305 CB PHE A 19 7.203 -3.480 6.261 1.00 0.00 C ATOM 306 CG PHE A 19 8.117 -3.390 7.461 1.00 0.00 C ATOM 307 CD1 PHE A 19 8.555 -2.159 7.931 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.532 -4.536 8.122 1.00 0.00 C ATOM 309 CE1 PHE A 19 9.386 -2.075 9.031 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.365 -4.457 9.223 1.00 0.00 C ATOM 311 CZ PHE A 19 9.792 -3.225 9.678 1.00 0.00 C ATOM 0 H PHE A 19 7.940 -5.167 4.594 1.00 0.00 H new ATOM 0 HA PHE A 19 7.100 -2.553 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.341 -2.835 6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.828 -4.501 6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.242 -1.255 7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.200 -5.503 7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.718 -1.110 9.385 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.681 -5.358 9.727 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.442 -3.161 10.538 1.00 0.00 H new ATOM 321 N ASP A 20 10.207 -2.758 5.303 1.00 0.00 N ATOM 322 CA ASP A 20 11.425 -1.983 5.507 1.00 0.00 C ATOM 323 C ASP A 20 11.510 -0.824 4.522 1.00 0.00 C ATOM 324 O ASP A 20 11.694 0.326 4.913 1.00 0.00 O ATOM 325 CB ASP A 20 12.648 -2.873 5.344 1.00 0.00 C ATOM 326 CG ASP A 20 13.013 -3.603 6.622 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.224 -2.927 7.651 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.086 -4.849 6.593 1.00 0.00 O ATOM 0 H ASP A 20 10.341 -3.769 5.318 1.00 0.00 H new ATOM 0 HA ASP A 20 11.397 -1.580 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.460 -3.601 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.494 -2.266 5.022 1.00 0.00 H new ATOM 333 N LYS A 21 11.381 -1.142 3.243 1.00 0.00 N ATOM 334 CA LYS A 21 11.447 -0.134 2.192 1.00 0.00 C ATOM 335 C LYS A 21 10.068 0.433 1.871 1.00 0.00 C ATOM 336 O LYS A 21 9.881 1.648 1.823 1.00 0.00 O ATOM 337 CB LYS A 21 12.075 -0.729 0.929 1.00 0.00 C ATOM 338 CG LYS A 21 13.515 -0.293 0.706 1.00 0.00 C ATOM 339 CD LYS A 21 14.435 -1.484 0.490 1.00 0.00 C ATOM 340 CE LYS A 21 15.807 -1.047 0.004 1.00 0.00 C ATOM 341 NZ LYS A 21 15.718 -0.156 -1.185 1.00 0.00 N ATOM 0 H LYS A 21 11.230 -2.093 2.906 1.00 0.00 H new ATOM 0 HA LYS A 21 12.069 0.684 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.038 -1.817 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.478 -0.439 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.565 0.368 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.859 0.281 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.538 -2.039 1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.989 -2.162 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.328 -0.528 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.401 -1.926 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.539 -0.318 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.844 -0.363 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.708 0.837 -0.875 1.00 0.00 H new ATOM 355 N ILE A 22 9.113 -0.456 1.636 1.00 0.00 N ATOM 356 CA ILE A 22 7.752 -0.048 1.298 1.00 0.00 C ATOM 357 C ILE A 22 7.092 0.727 2.431 1.00 0.00 C ATOM 358 O ILE A 22 6.313 1.648 2.189 1.00 0.00 O ATOM 359 CB ILE A 22 6.861 -1.255 0.945 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.612 -2.234 0.036 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.576 -0.781 0.280 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.747 -3.360 -0.491 1.00 0.00 C ATOM 0 H ILE A 22 9.253 -1.466 1.673 1.00 0.00 H new ATOM 0 HA ILE A 22 7.845 0.599 0.426 1.00 0.00 H new ATOM 0 HB ILE A 22 6.603 -1.779 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.032 -1.685 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.450 -2.659 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.954 -1.642 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.035 -0.124 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.818 -0.237 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.346 -4.012 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.348 -3.934 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.923 -2.945 -1.072 1.00 0.00 H new ATOM 374 N PHE A 23 7.397 0.351 3.666 1.00 0.00 N ATOM 375 CA PHE A 23 6.813 1.022 4.823 1.00 0.00 C ATOM 376 C PHE A 23 7.621 2.256 5.203 1.00 0.00 C ATOM 377 O PHE A 23 7.060 3.254 5.651 1.00 0.00 O ATOM 378 CB PHE A 23 6.706 0.070 6.017 1.00 0.00 C ATOM 379 CG PHE A 23 5.318 -0.040 6.573 1.00 0.00 C ATOM 380 CD1 PHE A 23 4.826 0.918 7.444 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.507 -1.103 6.221 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.545 0.816 7.954 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.225 -1.212 6.726 1.00 0.00 C ATOM 384 CZ PHE A 23 2.744 -0.250 7.595 1.00 0.00 C ATOM 0 H PHE A 23 8.039 -0.408 3.893 1.00 0.00 H new ATOM 0 HA PHE A 23 5.807 1.339 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.047 -0.920 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.378 0.411 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.449 1.753 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.880 -1.857 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.171 1.569 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.601 -2.046 6.443 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.743 -0.332 7.992 1.00 0.00 H new ATOM 394 N GLU A 24 8.936 2.194 5.019 1.00 0.00 N ATOM 395 CA GLU A 24 9.788 3.330 5.346 1.00 0.00 C ATOM 396 C GLU A 24 9.505 4.489 4.401 1.00 0.00 C ATOM 397 O GLU A 24 9.325 5.626 4.834 1.00 0.00 O ATOM 398 CB GLU A 24 11.265 2.940 5.281 1.00 0.00 C ATOM 399 CG GLU A 24 12.218 4.102 5.518 1.00 0.00 C ATOM 400 CD GLU A 24 13.650 3.765 5.149 1.00 0.00 C ATOM 401 OE1 GLU A 24 14.097 2.644 5.472 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.324 4.622 4.540 1.00 0.00 O ATOM 0 H GLU A 24 9.429 1.381 4.650 1.00 0.00 H new ATOM 0 HA GLU A 24 9.564 3.644 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.460 2.166 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.474 2.505 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.889 4.962 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.176 4.394 6.567 1.00 0.00 H new ATOM 409 N LYS A 25 9.456 4.188 3.110 1.00 0.00 N ATOM 410 CA LYS A 25 9.181 5.205 2.104 1.00 0.00 C ATOM 411 C LYS A 25 7.765 5.740 2.274 1.00 0.00 C ATOM 412 O LYS A 25 7.510 6.930 2.084 1.00 0.00 O ATOM 413 CB LYS A 25 9.363 4.631 0.695 1.00 0.00 C ATOM 414 CG LYS A 25 10.496 5.279 -0.084 1.00 0.00 C ATOM 415 CD LYS A 25 11.827 5.124 0.634 1.00 0.00 C ATOM 416 CE LYS A 25 12.998 5.297 -0.320 1.00 0.00 C ATOM 417 NZ LYS A 25 12.891 4.394 -1.500 1.00 0.00 N ATOM 0 H LYS A 25 9.603 3.251 2.736 1.00 0.00 H new ATOM 0 HA LYS A 25 9.887 6.024 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.550 3.560 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.434 4.754 0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.561 4.829 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.281 6.338 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.897 5.860 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.878 4.140 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.041 6.332 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.930 5.095 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.833 4.027 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.258 3.601 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.507 4.923 -2.309 1.00 0.00 H new ATOM 431 N HIS A 26 6.850 4.853 2.649 1.00 0.00 N ATOM 432 CA HIS A 26 5.462 5.235 2.864 1.00 0.00 C ATOM 433 C HIS A 26 5.334 6.035 4.150 1.00 0.00 C ATOM 434 O HIS A 26 4.721 7.102 4.176 1.00 0.00 O ATOM 435 CB HIS A 26 4.569 3.994 2.923 1.00 0.00 C ATOM 436 CG HIS A 26 3.111 4.315 3.043 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.234 3.560 3.796 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.375 5.315 2.503 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.023 4.083 3.711 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.083 5.148 2.934 1.00 0.00 N ATOM 0 H HIS A 26 7.046 3.865 2.810 1.00 0.00 H new ATOM 0 HA HIS A 26 5.138 5.855 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.729 3.397 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.869 3.380 3.772 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.737 6.098 1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.135 3.703 4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.296 5.750 2.693 1.00 0.00 H new ATOM 449 N ASN A 27 5.928 5.513 5.215 1.00 0.00 N ATOM 450 CA ASN A 27 5.894 6.182 6.510 1.00 0.00 C ATOM 451 C ASN A 27 6.643 7.512 6.459 1.00 0.00 C ATOM 452 O ASN A 27 6.398 8.402 7.273 1.00 0.00 O ATOM 453 CB ASN A 27 6.499 5.284 7.592 1.00 0.00 C ATOM 454 CG ASN A 27 5.535 4.211 8.058 1.00 0.00 C ATOM 455 OD1 ASN A 27 4.629 3.814 7.326 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.725 3.736 9.284 1.00 0.00 N ATOM 0 H ASN A 27 6.438 4.630 5.209 1.00 0.00 H new ATOM 0 HA ASN A 27 4.851 6.382 6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.403 4.813 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.797 5.896 8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.107 3.013 9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.489 4.094 9.857 1.00 0.00 H new ATOM 463 N GLN A 28 7.552 7.643 5.496 1.00 0.00 N ATOM 464 CA GLN A 28 8.326 8.869 5.342 1.00 0.00 C ATOM 465 C GLN A 28 7.443 9.985 4.806 1.00 0.00 C ATOM 466 O GLN A 28 7.525 11.128 5.256 1.00 0.00 O ATOM 467 CB GLN A 28 9.513 8.644 4.403 1.00 0.00 C ATOM 468 CG GLN A 28 10.563 9.740 4.477 1.00 0.00 C ATOM 469 CD GLN A 28 11.304 9.746 5.801 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.373 9.149 5.929 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.738 10.424 6.792 1.00 0.00 N ATOM 0 H GLN A 28 7.769 6.917 4.813 1.00 0.00 H new ATOM 0 HA GLN A 28 8.708 9.158 6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.980 7.689 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.147 8.572 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.278 9.609 3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.084 10.708 4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.851 10.904 6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.190 10.465 7.705 1.00 0.00 H new ATOM 480 N LEU A 29 6.586 9.641 3.852 1.00 0.00 N ATOM 481 CA LEU A 29 5.674 10.610 3.268 1.00 0.00 C ATOM 482 C LEU A 29 4.709 11.113 4.328 1.00 0.00 C ATOM 483 O LEU A 29 4.579 12.316 4.545 1.00 0.00 O ATOM 484 CB LEU A 29 4.906 9.992 2.097 1.00 0.00 C ATOM 485 CG LEU A 29 4.967 10.790 0.794 1.00 0.00 C ATOM 486 CD1 LEU A 29 4.307 12.149 0.971 1.00 0.00 C ATOM 487 CD2 LEU A 29 6.410 10.950 0.335 1.00 0.00 C ATOM 0 H LEU A 29 6.505 8.699 3.469 1.00 0.00 H new ATOM 0 HA LEU A 29 6.253 11.451 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.298 8.992 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.862 9.877 2.387 1.00 0.00 H new ATOM 0 HG LEU A 29 4.422 10.241 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.359 12.704 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.263 12.012 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.825 12.706 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.435 11.520 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.979 11.478 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.850 9.967 0.169 1.00 0.00 H new ATOM 499 N ASP A 30 4.055 10.176 5.006 1.00 0.00 N ATOM 500 CA ASP A 30 3.119 10.518 6.068 1.00 0.00 C ATOM 501 C ASP A 30 3.837 11.280 7.176 1.00 0.00 C ATOM 502 O ASP A 30 3.210 11.978 7.971 1.00 0.00 O ATOM 503 CB ASP A 30 2.463 9.258 6.633 1.00 0.00 C ATOM 504 CG ASP A 30 1.406 9.574 7.673 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.768 9.735 8.857 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.216 9.659 7.303 1.00 0.00 O ATOM 0 H ASP A 30 4.156 9.175 4.838 1.00 0.00 H new ATOM 0 HA ASP A 30 2.339 11.155 5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.010 8.691 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.228 8.622 7.078 1.00 0.00 H new ATOM 511 N ASP A 31 5.162 11.156 7.216 1.00 0.00 N ATOM 512 CA ASP A 31 5.954 11.860 8.213 1.00 0.00 C ATOM 513 C ASP A 31 6.284 13.259 7.710 1.00 0.00 C ATOM 514 O ASP A 31 6.431 14.196 8.494 1.00 0.00 O ATOM 515 CB ASP A 31 7.239 11.090 8.527 1.00 0.00 C ATOM 516 CG ASP A 31 8.000 11.687 9.695 1.00 0.00 C ATOM 517 OD1 ASP A 31 8.481 12.832 9.566 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.116 11.009 10.737 1.00 0.00 O ATOM 0 H ASP A 31 5.703 10.578 6.573 1.00 0.00 H new ATOM 0 HA ASP A 31 5.373 11.937 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.992 10.052 8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.880 11.083 7.645 1.00 0.00 H new ATOM 523 N ASP A 32 6.371 13.393 6.389 1.00 0.00 N ATOM 524 CA ASP A 32 6.652 14.678 5.770 1.00 0.00 C ATOM 525 C ASP A 32 5.365 15.490 5.669 1.00 0.00 C ATOM 526 O ASP A 32 5.378 16.716 5.774 1.00 0.00 O ATOM 527 CB ASP A 32 7.266 14.480 4.381 1.00 0.00 C ATOM 528 CG ASP A 32 8.633 15.124 4.256 1.00 0.00 C ATOM 529 OD1 ASP A 32 8.730 16.354 4.448 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.607 14.397 3.967 1.00 0.00 O ATOM 0 H ASP A 32 6.250 12.625 5.729 1.00 0.00 H new ATOM 0 HA ASP A 32 7.369 15.220 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.349 13.413 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.599 14.901 3.629 1.00 0.00 H new ATOM 535 N ILE A 33 4.250 14.786 5.482 1.00 0.00 N ATOM 536 CA ILE A 33 2.949 15.418 5.387 1.00 0.00 C ATOM 537 C ILE A 33 2.615 16.128 6.692 1.00 0.00 C ATOM 538 O ILE A 33 2.000 17.195 6.691 1.00 0.00 O ATOM 539 CB ILE A 33 1.849 14.384 5.057 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.516 13.537 6.284 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.277 13.502 3.891 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.425 14.130 7.149 1.00 0.00 C ATOM 0 H ILE A 33 4.229 13.770 5.394 1.00 0.00 H new ATOM 0 HA ILE A 33 2.987 16.147 4.578 1.00 0.00 H new ATOM 0 HB ILE A 33 0.948 14.924 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.210 12.543 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.417 13.412 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.490 12.780 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.455 14.122 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.193 12.972 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.241 13.476 8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.737 15.112 7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.489 14.230 6.564 1.00 0.00 H new ATOM 554 N LYS A 34 3.045 15.538 7.808 1.00 0.00 N ATOM 555 CA LYS A 34 2.808 16.133 9.114 1.00 0.00 C ATOM 556 C LYS A 34 3.820 17.239 9.362 1.00 0.00 C ATOM 557 O LYS A 34 3.501 18.271 9.952 1.00 0.00 O ATOM 558 CB LYS A 34 2.893 15.079 10.218 1.00 0.00 C ATOM 559 CG LYS A 34 4.220 14.335 10.259 1.00 0.00 C ATOM 560 CD LYS A 34 4.494 13.758 11.641 1.00 0.00 C ATOM 561 CE LYS A 34 4.553 12.240 11.611 1.00 0.00 C ATOM 562 NZ LYS A 34 3.376 11.650 10.915 1.00 0.00 N ATOM 0 H LYS A 34 3.555 14.655 7.829 1.00 0.00 H new ATOM 0 HA LYS A 34 1.803 16.554 9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.728 15.562 11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.087 14.358 10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.210 13.531 9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.027 15.013 9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.437 14.152 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.714 14.079 12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.467 11.922 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.600 11.859 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.248 10.665 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.524 12.199 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.533 11.673 9.887 1.00 0.00 H new ATOM 576 N THR A 35 5.040 17.024 8.879 1.00 0.00 N ATOM 577 CA THR A 35 6.096 18.014 9.018 1.00 0.00 C ATOM 578 C THR A 35 5.763 19.235 8.172 1.00 0.00 C ATOM 579 O THR A 35 6.145 20.358 8.501 1.00 0.00 O ATOM 580 CB THR A 35 7.442 17.427 8.590 1.00 0.00 C ATOM 581 OG1 THR A 35 7.758 16.282 9.361 1.00 0.00 O ATOM 582 CG2 THR A 35 8.590 18.403 8.725 1.00 0.00 C ATOM 0 H THR A 35 5.319 16.174 8.389 1.00 0.00 H new ATOM 0 HA THR A 35 6.169 18.309 10.065 1.00 0.00 H new ATOM 0 HB THR A 35 7.324 17.173 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.466 15.477 8.885 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.515 17.923 8.405 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.400 19.277 8.102 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.683 18.713 9.766 1.00 0.00 H new ATOM 590 N ALA A 36 5.031 19.002 7.085 1.00 0.00 N ATOM 591 CA ALA A 36 4.622 20.075 6.191 1.00 0.00 C ATOM 592 C ALA A 36 3.278 20.653 6.622 1.00 0.00 C ATOM 593 O ALA A 36 2.960 21.803 6.319 1.00 0.00 O ATOM 594 CB ALA A 36 4.549 19.570 4.758 1.00 0.00 C ATOM 0 H ALA A 36 4.710 18.076 6.804 1.00 0.00 H new ATOM 0 HA ALA A 36 5.367 20.869 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.242 20.383 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.529 19.205 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.824 18.759 4.695 1.00 0.00 H new ATOM 600 N GLU A 37 2.493 19.849 7.338 1.00 0.00 N ATOM 601 CA GLU A 37 1.186 20.284 7.816 1.00 0.00 C ATOM 602 C GLU A 37 1.320 21.105 9.095 1.00 0.00 C ATOM 603 O GLU A 37 0.429 21.879 9.444 1.00 0.00 O ATOM 604 CB GLU A 37 0.282 19.075 8.067 1.00 0.00 C ATOM 605 CG GLU A 37 -0.405 18.558 6.814 1.00 0.00 C ATOM 606 CD GLU A 37 -1.619 19.381 6.432 1.00 0.00 C ATOM 607 OE1 GLU A 37 -1.509 20.625 6.405 1.00 0.00 O ATOM 608 OE2 GLU A 37 -2.680 18.782 6.159 1.00 0.00 O ATOM 0 H GLU A 37 2.741 18.894 7.598 1.00 0.00 H new ATOM 0 HA GLU A 37 0.737 20.912 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.876 18.272 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.476 19.345 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.306 18.561 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.708 17.523 6.971 1.00 0.00 H new ATOM 615 N GLN A 38 2.439 20.930 9.793 1.00 0.00 N ATOM 616 CA GLN A 38 2.690 21.651 11.035 1.00 0.00 C ATOM 617 C GLN A 38 2.609 23.160 10.820 1.00 0.00 C ATOM 618 O GLN A 38 2.075 23.886 11.659 1.00 0.00 O ATOM 619 CB GLN A 38 4.062 21.278 11.597 1.00 0.00 C ATOM 620 CG GLN A 38 4.057 19.997 12.415 1.00 0.00 C ATOM 621 CD GLN A 38 5.429 19.359 12.508 1.00 0.00 C ATOM 622 OE1 GLN A 38 5.488 18.049 12.295 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 6.425 20.034 12.766 1.00 0.00 N flip ATOM 0 H GLN A 38 3.187 20.293 9.518 1.00 0.00 H new ATOM 0 HA GLN A 38 1.920 21.364 11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.766 21.170 10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.425 22.096 12.220 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.692 20.213 13.419 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.360 19.288 11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.334 21.038 12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.341 19.590 12.823 1.00 0.00 H new ATOM 632 N GLN A 39 3.147 23.628 9.698 1.00 0.00 N ATOM 633 CA GLN A 39 3.134 25.052 9.387 1.00 0.00 C ATOM 634 C GLN A 39 2.384 25.330 8.087 1.00 0.00 C ATOM 635 O GLN A 39 1.878 26.433 7.879 1.00 0.00 O ATOM 636 CB GLN A 39 4.566 25.585 9.284 1.00 0.00 C ATOM 637 CG GLN A 39 5.293 25.154 8.018 1.00 0.00 C ATOM 638 CD GLN A 39 6.110 23.893 8.215 1.00 0.00 C ATOM 639 OE1 GLN A 39 7.039 23.861 9.023 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.769 22.844 7.475 1.00 0.00 N ATOM 0 H GLN A 39 3.596 23.044 8.992 1.00 0.00 H new ATOM 0 HA GLN A 39 2.615 25.565 10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.542 26.674 9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.133 25.246 10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.565 24.990 7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.949 25.960 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.992 22.914 6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.284 21.968 7.564 1.00 0.00 H new ATOM 649 N ASN A 40 2.329 24.330 7.211 1.00 0.00 N ATOM 650 CA ASN A 40 1.655 24.478 5.928 1.00 0.00 C ATOM 651 C ASN A 40 2.381 25.503 5.067 1.00 0.00 C ATOM 652 O ASN A 40 1.773 26.441 4.549 1.00 0.00 O ATOM 653 CB ASN A 40 0.201 24.898 6.135 1.00 0.00 C ATOM 654 CG ASN A 40 -0.734 23.710 6.244 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.639 23.539 5.426 1.00 0.00 O ATOM 656 ND2 ASN A 40 -0.521 22.882 7.260 1.00 0.00 N ATOM 0 H ASN A 40 2.743 23.411 7.367 1.00 0.00 H new ATOM 0 HA ASN A 40 1.669 23.516 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.125 25.501 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.114 25.529 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.119 22.066 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.241 23.062 7.914 1.00 0.00 H new ATOM 663 N ALA A 41 3.691 25.315 4.923 1.00 0.00 N ATOM 664 CA ALA A 41 4.521 26.219 4.129 1.00 0.00 C ATOM 665 C ALA A 41 3.834 26.609 2.822 1.00 0.00 C ATOM 666 O ALA A 41 4.042 27.707 2.304 1.00 0.00 O ATOM 667 CB ALA A 41 5.871 25.577 3.845 1.00 0.00 C ATOM 0 H ALA A 41 4.203 24.541 5.348 1.00 0.00 H new ATOM 0 HA ALA A 41 4.672 27.130 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.481 26.259 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.377 25.362 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.724 24.649 3.292 1.00 0.00 H new ATOM 673 N SER A 42 3.014 25.705 2.295 1.00 0.00 N ATOM 674 CA SER A 42 2.297 25.959 1.053 1.00 0.00 C ATOM 675 C SER A 42 1.211 24.911 0.824 1.00 0.00 C ATOM 676 O SER A 42 1.478 23.710 0.849 1.00 0.00 O ATOM 677 CB SER A 42 3.270 25.971 -0.128 1.00 0.00 C ATOM 678 OG SER A 42 3.631 27.297 -0.477 1.00 0.00 O ATOM 0 H SER A 42 2.830 24.791 2.709 1.00 0.00 H new ATOM 0 HA SER A 42 1.820 26.936 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.164 25.402 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.813 25.477 -0.985 1.00 0.00 H new ATOM 0 HG SER A 42 3.848 27.802 0.335 1.00 0.00 H new ATOM 684 N ASP A 43 -0.014 25.377 0.594 1.00 0.00 N ATOM 685 CA ASP A 43 -1.144 24.485 0.353 1.00 0.00 C ATOM 686 C ASP A 43 -0.805 23.481 -0.740 1.00 0.00 C ATOM 687 O ASP A 43 -0.921 22.271 -0.548 1.00 0.00 O ATOM 688 CB ASP A 43 -2.384 25.289 -0.042 1.00 0.00 C ATOM 689 CG ASP A 43 -2.725 26.361 0.975 1.00 0.00 C ATOM 690 OD1 ASP A 43 -2.475 26.139 2.178 1.00 0.00 O ATOM 691 OD2 ASP A 43 -3.242 27.422 0.568 1.00 0.00 O ATOM 0 H ASP A 43 -0.249 26.369 0.570 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.356 23.943 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.218 25.754 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.232 24.613 -0.152 1.00 0.00 H new ATOM 696 N ALA A 44 -0.366 23.996 -1.880 1.00 0.00 N ATOM 697 CA ALA A 44 0.016 23.148 -3.001 1.00 0.00 C ATOM 698 C ALA A 44 1.138 22.205 -2.587 1.00 0.00 C ATOM 699 O ALA A 44 1.276 21.108 -3.128 1.00 0.00 O ATOM 700 CB ALA A 44 0.443 23.998 -4.188 1.00 0.00 C ATOM 0 H ALA A 44 -0.265 24.996 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.847 22.552 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.725 23.349 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.385 24.638 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.295 24.616 -3.905 1.00 0.00 H new ATOM 706 N GLU A 45 1.933 22.641 -1.613 1.00 0.00 N ATOM 707 CA GLU A 45 3.039 21.841 -1.108 1.00 0.00 C ATOM 708 C GLU A 45 2.525 20.738 -0.197 1.00 0.00 C ATOM 709 O GLU A 45 2.950 19.588 -0.293 1.00 0.00 O ATOM 710 CB GLU A 45 4.031 22.724 -0.346 1.00 0.00 C ATOM 711 CG GLU A 45 5.432 22.139 -0.272 1.00 0.00 C ATOM 712 CD GLU A 45 6.253 22.434 -1.511 1.00 0.00 C ATOM 713 OE1 GLU A 45 5.713 22.295 -2.628 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.438 22.803 -1.365 1.00 0.00 O ATOM 0 H GLU A 45 1.829 23.548 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 45 3.549 21.387 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.079 23.701 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.659 22.885 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.944 22.541 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.364 21.060 -0.134 1.00 0.00 H new ATOM 721 N VAL A 46 1.604 21.099 0.688 1.00 0.00 N ATOM 722 CA VAL A 46 1.027 20.136 1.617 1.00 0.00 C ATOM 723 C VAL A 46 0.046 19.214 0.904 1.00 0.00 C ATOM 724 O VAL A 46 -0.138 18.062 1.299 1.00 0.00 O ATOM 725 CB VAL A 46 0.305 20.835 2.785 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.048 19.828 3.869 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.161 21.961 3.346 1.00 0.00 C ATOM 0 H VAL A 46 1.242 22.048 0.782 1.00 0.00 H new ATOM 0 HA VAL A 46 1.853 19.549 2.018 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.621 21.270 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.557 20.337 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.703 19.062 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.863 19.362 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.634 22.443 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.106 21.555 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.357 22.694 2.563 1.00 0.00 H new ATOM 737 N SER A 47 -0.580 19.726 -0.150 1.00 0.00 N ATOM 738 CA SER A 47 -1.540 18.945 -0.922 1.00 0.00 C ATOM 739 C SER A 47 -0.832 18.030 -1.910 1.00 0.00 C ATOM 740 O SER A 47 -1.394 17.033 -2.361 1.00 0.00 O ATOM 741 CB SER A 47 -2.510 19.869 -1.661 1.00 0.00 C ATOM 742 OG SER A 47 -1.932 20.363 -2.858 1.00 0.00 O ATOM 0 H SER A 47 -0.440 20.678 -0.489 1.00 0.00 H new ATOM 0 HA SER A 47 -2.105 18.324 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.427 19.328 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.786 20.703 -1.016 1.00 0.00 H new ATOM 0 HG SER A 47 -2.572 20.950 -3.312 1.00 0.00 H new ATOM 748 N HIS A 48 0.405 18.372 -2.240 1.00 0.00 N ATOM 749 CA HIS A 48 1.191 17.580 -3.168 1.00 0.00 C ATOM 750 C HIS A 48 1.803 16.376 -2.462 1.00 0.00 C ATOM 751 O HIS A 48 1.992 15.319 -3.064 1.00 0.00 O ATOM 752 CB HIS A 48 2.286 18.445 -3.780 1.00 0.00 C ATOM 753 CG HIS A 48 3.145 17.722 -4.770 1.00 0.00 C ATOM 754 ND1 HIS A 48 2.812 16.492 -5.299 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.330 18.061 -5.330 1.00 0.00 C ATOM 756 CE1 HIS A 48 3.756 16.107 -6.140 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.688 17.041 -6.177 1.00 0.00 N ATOM 0 H HIS A 48 0.885 19.195 -1.876 1.00 0.00 H new ATOM 0 HA HIS A 48 0.537 17.215 -3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.827 19.303 -4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.917 18.834 -2.981 1.00 0.00 H new ATOM 0 HD1 HIS A 48 1.969 15.963 -5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.890 18.966 -5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.764 15.185 -6.702 1.00 0.00 H new ATOM 766 N MET A 49 2.106 16.543 -1.179 1.00 0.00 N ATOM 767 CA MET A 49 2.692 15.469 -0.389 1.00 0.00 C ATOM 768 C MET A 49 1.680 14.356 -0.162 1.00 0.00 C ATOM 769 O MET A 49 2.025 13.175 -0.193 1.00 0.00 O ATOM 770 CB MET A 49 3.193 16.004 0.954 1.00 0.00 C ATOM 771 CG MET A 49 4.421 16.891 0.836 1.00 0.00 C ATOM 772 SD MET A 49 5.409 16.916 2.342 1.00 0.00 S ATOM 773 CE MET A 49 7.045 16.616 1.679 1.00 0.00 C ATOM 0 H MET A 49 1.955 17.411 -0.666 1.00 0.00 H new ATOM 0 HA MET A 49 3.538 15.063 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.392 16.568 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.424 15.163 1.607 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.038 16.542 0.008 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.108 17.907 0.595 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.788 17.102 2.311 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.236 15.543 1.654 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.108 17.020 0.668 1.00 0.00 H new ATOM 783 N LYS A 50 0.426 14.736 0.056 1.00 0.00 N ATOM 784 CA LYS A 50 -0.629 13.758 0.276 1.00 0.00 C ATOM 785 C LYS A 50 -0.839 12.917 -0.971 1.00 0.00 C ATOM 786 O LYS A 50 -1.113 11.720 -0.883 1.00 0.00 O ATOM 787 CB LYS A 50 -1.936 14.437 0.658 1.00 0.00 C ATOM 788 CG LYS A 50 -1.804 15.416 1.814 1.00 0.00 C ATOM 789 CD LYS A 50 -3.051 15.424 2.683 1.00 0.00 C ATOM 790 CE LYS A 50 -2.788 16.075 4.031 1.00 0.00 C ATOM 791 NZ LYS A 50 -2.586 15.065 5.106 1.00 0.00 N ATOM 0 H LYS A 50 0.118 15.708 0.085 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.318 13.114 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.327 14.966 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.668 13.673 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.938 15.150 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.624 16.418 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.850 15.959 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.397 14.401 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.906 16.712 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.627 16.720 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.376 15.549 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.450 14.496 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.791 14.444 4.854 1.00 0.00 H new ATOM 805 N LYS A 51 -0.694 13.540 -2.137 1.00 0.00 N ATOM 806 CA LYS A 51 -0.852 12.824 -3.396 1.00 0.00 C ATOM 807 C LYS A 51 0.082 11.621 -3.418 1.00 0.00 C ATOM 808 O LYS A 51 -0.222 10.590 -4.017 1.00 0.00 O ATOM 809 CB LYS A 51 -0.560 13.744 -4.582 1.00 0.00 C ATOM 810 CG LYS A 51 -1.400 13.437 -5.811 1.00 0.00 C ATOM 811 CD LYS A 51 -2.857 13.826 -5.604 1.00 0.00 C ATOM 812 CE LYS A 51 -3.321 14.833 -6.645 1.00 0.00 C ATOM 813 NZ LYS A 51 -2.912 16.222 -6.296 1.00 0.00 N ATOM 0 H LYS A 51 -0.469 14.530 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.883 12.481 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.735 14.777 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.495 13.662 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.998 13.973 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.336 12.373 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.483 12.935 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.983 14.248 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.907 14.566 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.406 14.786 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.247 16.878 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.327 16.486 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.875 16.273 -6.234 1.00 0.00 H new ATOM 827 N GLN A 52 1.213 11.759 -2.731 1.00 0.00 N ATOM 828 CA GLN A 52 2.186 10.684 -2.639 1.00 0.00 C ATOM 829 C GLN A 52 1.778 9.695 -1.550 1.00 0.00 C ATOM 830 O GLN A 52 2.245 8.559 -1.526 1.00 0.00 O ATOM 831 CB GLN A 52 3.577 11.246 -2.344 1.00 0.00 C ATOM 832 CG GLN A 52 4.283 11.800 -3.570 1.00 0.00 C ATOM 833 CD GLN A 52 5.289 10.827 -4.154 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.488 11.107 -4.195 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.807 9.677 -4.608 1.00 0.00 N ATOM 0 H GLN A 52 1.475 12.608 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 52 2.217 10.162 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.490 12.036 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.192 10.460 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.542 12.050 -4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.792 12.727 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.806 9.487 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.437 8.983 -5.011 1.00 0.00 H new ATOM 844 N LYS A 53 0.893 10.133 -0.651 1.00 0.00 N ATOM 845 CA LYS A 53 0.417 9.282 0.432 1.00 0.00 C ATOM 846 C LYS A 53 -0.379 8.110 -0.121 1.00 0.00 C ATOM 847 O LYS A 53 0.002 6.950 0.037 1.00 0.00 O ATOM 848 CB LYS A 53 -0.460 10.090 1.383 1.00 0.00 C ATOM 849 CG LYS A 53 -0.353 9.650 2.834 1.00 0.00 C ATOM 850 CD LYS A 53 -1.628 9.957 3.605 1.00 0.00 C ATOM 851 CE LYS A 53 -2.533 8.738 3.695 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.791 8.340 5.107 1.00 0.00 N ATOM 0 H LYS A 53 0.494 11.072 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 53 1.281 8.898 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.186 11.142 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.499 10.008 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.149 8.580 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.490 10.154 3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.374 10.298 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.162 10.772 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.480 8.952 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.075 7.905 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.412 7.506 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.890 8.111 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.252 9.125 5.610 1.00 0.00 H new ATOM 866 N LEU A 54 -1.483 8.430 -0.783 1.00 0.00 N ATOM 867 CA LEU A 54 -2.340 7.418 -1.381 1.00 0.00 C ATOM 868 C LEU A 54 -1.566 6.637 -2.432 1.00 0.00 C ATOM 869 O LEU A 54 -1.890 5.489 -2.735 1.00 0.00 O ATOM 870 CB LEU A 54 -3.575 8.066 -2.010 1.00 0.00 C ATOM 871 CG LEU A 54 -4.580 7.086 -2.620 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.661 6.733 -1.609 1.00 0.00 C ATOM 873 CD2 LEU A 54 -5.198 7.671 -3.880 1.00 0.00 C ATOM 0 H LEU A 54 -1.806 9.388 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.669 6.733 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.084 8.658 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.248 8.758 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.050 6.173 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.367 6.035 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.204 6.272 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.188 7.639 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.910 6.960 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.714 8.599 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.414 7.873 -4.610 1.00 0.00 H new ATOM 885 N LYS A 55 -0.527 7.267 -2.971 1.00 0.00 N ATOM 886 CA LYS A 55 0.310 6.626 -3.972 1.00 0.00 C ATOM 887 C LYS A 55 1.260 5.662 -3.292 1.00 0.00 C ATOM 888 O LYS A 55 1.379 4.503 -3.685 1.00 0.00 O ATOM 889 CB LYS A 55 1.087 7.667 -4.782 1.00 0.00 C ATOM 890 CG LYS A 55 0.466 7.968 -6.139 1.00 0.00 C ATOM 891 CD LYS A 55 1.359 7.502 -7.279 1.00 0.00 C ATOM 892 CE LYS A 55 2.075 8.670 -7.940 1.00 0.00 C ATOM 893 NZ LYS A 55 3.466 8.826 -7.431 1.00 0.00 N ATOM 0 H LYS A 55 -0.247 8.218 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.326 6.075 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.149 8.591 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.108 7.314 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.505 7.477 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.289 9.040 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.093 6.791 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.759 6.975 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.098 8.519 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.517 9.588 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.729 9.832 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.522 8.464 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.120 8.291 -8.038 1.00 0.00 H new ATOM 907 N LEU A 56 1.903 6.139 -2.235 1.00 0.00 N ATOM 908 CA LEU A 56 2.800 5.301 -1.466 1.00 0.00 C ATOM 909 C LEU A 56 1.981 4.293 -0.673 1.00 0.00 C ATOM 910 O LEU A 56 2.521 3.344 -0.106 1.00 0.00 O ATOM 911 CB LEU A 56 3.669 6.146 -0.531 1.00 0.00 C ATOM 912 CG LEU A 56 4.980 6.648 -1.141 1.00 0.00 C ATOM 913 CD1 LEU A 56 4.724 7.352 -2.466 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.696 7.578 -0.175 1.00 0.00 C ATOM 0 H LEU A 56 1.818 7.097 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 56 3.467 4.771 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.088 7.006 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.901 5.556 0.356 1.00 0.00 H new ATOM 0 HG LEU A 56 5.620 5.786 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.670 7.700 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.256 6.657 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.063 8.204 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.626 7.925 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.058 8.434 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.918 7.043 0.748 1.00 0.00 H new ATOM 926 N LYS A 57 0.658 4.489 -0.662 1.00 0.00 N ATOM 927 CA LYS A 57 -0.233 3.572 0.030 1.00 0.00 C ATOM 928 C LYS A 57 -0.595 2.430 -0.905 1.00 0.00 C ATOM 929 O LYS A 57 -0.813 1.299 -0.473 1.00 0.00 O ATOM 930 CB LYS A 57 -1.503 4.290 0.498 1.00 0.00 C ATOM 931 CG LYS A 57 -2.568 3.351 1.051 1.00 0.00 C ATOM 932 CD LYS A 57 -3.965 3.919 0.863 1.00 0.00 C ATOM 933 CE LYS A 57 -4.932 2.865 0.347 1.00 0.00 C ATOM 934 NZ LYS A 57 -6.065 3.473 -0.405 1.00 0.00 N ATOM 0 H LYS A 57 0.190 5.270 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 57 0.276 3.182 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.237 5.016 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.923 4.849 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.497 2.385 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.385 3.176 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.329 4.314 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.928 4.754 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.399 2.168 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.321 2.287 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.702 2.722 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.589 4.119 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.696 4.003 -1.220 1.00 0.00 H new ATOM 948 N ASP A 58 -0.648 2.739 -2.197 1.00 0.00 N ATOM 949 CA ASP A 58 -0.972 1.747 -3.209 1.00 0.00 C ATOM 950 C ASP A 58 0.013 0.591 -3.151 1.00 0.00 C ATOM 951 O ASP A 58 -0.357 -0.558 -3.367 1.00 0.00 O ATOM 952 CB ASP A 58 -0.959 2.381 -4.601 1.00 0.00 C ATOM 953 CG ASP A 58 -2.328 2.873 -5.026 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.956 3.623 -4.250 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.772 2.509 -6.135 1.00 0.00 O ATOM 0 H ASP A 58 -0.470 3.673 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.973 1.364 -3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.257 3.215 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.597 1.652 -5.326 1.00 0.00 H new ATOM 960 N GLU A 59 1.271 0.903 -2.852 1.00 0.00 N ATOM 961 CA GLU A 59 2.304 -0.122 -2.761 1.00 0.00 C ATOM 962 C GLU A 59 2.103 -0.979 -1.515 1.00 0.00 C ATOM 963 O GLU A 59 2.234 -2.202 -1.562 1.00 0.00 O ATOM 964 CB GLU A 59 3.694 0.513 -2.739 1.00 0.00 C ATOM 965 CG GLU A 59 3.842 1.631 -1.722 1.00 0.00 C ATOM 966 CD GLU A 59 5.277 2.095 -1.571 1.00 0.00 C ATOM 967 OE1 GLU A 59 5.920 2.380 -2.603 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.759 2.173 -0.421 1.00 0.00 O ATOM 0 H GLU A 59 1.598 1.852 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 59 2.225 -0.760 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.433 -0.260 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.920 0.905 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.221 2.475 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.471 1.290 -0.756 1.00 0.00 H new ATOM 975 N ILE A 60 1.770 -0.329 -0.406 1.00 0.00 N ATOM 976 CA ILE A 60 1.533 -1.030 0.847 1.00 0.00 C ATOM 977 C ILE A 60 0.221 -1.796 0.767 1.00 0.00 C ATOM 978 O ILE A 60 0.118 -2.922 1.241 1.00 0.00 O ATOM 979 CB ILE A 60 1.499 -0.052 2.048 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.915 0.419 2.391 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.843 -0.694 3.267 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.785 -0.653 3.016 1.00 0.00 C ATOM 0 H ILE A 60 1.658 0.683 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 60 2.357 -1.726 1.005 1.00 0.00 H new ATOM 0 HB ILE A 60 0.899 0.812 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.397 0.780 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.850 1.265 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.835 0.018 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.180 -0.978 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.406 -1.581 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.772 -0.242 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.327 -0.998 3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.883 -1.491 2.325 1.00 0.00 H new ATOM 994 N HIS A 61 -0.776 -1.182 0.144 1.00 0.00 N ATOM 995 CA HIS A 61 -2.076 -1.822 -0.009 1.00 0.00 C ATOM 996 C HIS A 61 -1.996 -2.899 -1.076 1.00 0.00 C ATOM 997 O HIS A 61 -2.571 -3.977 -0.931 1.00 0.00 O ATOM 998 CB HIS A 61 -3.146 -0.791 -0.376 1.00 0.00 C ATOM 999 CG HIS A 61 -4.520 -1.372 -0.498 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.548 -0.738 -1.164 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.034 -2.537 -0.038 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.636 -1.487 -1.105 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.349 -2.584 -0.429 1.00 0.00 N ATOM 0 H HIS A 61 -0.711 -0.248 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.355 -2.279 0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.158 -0.007 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.875 -0.319 -1.320 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.507 -3.289 0.531 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.596 -1.243 -1.536 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.999 -3.344 -0.229 1.00 0.00 H new ATOM 1012 N SER A 62 -1.262 -2.605 -2.142 1.00 0.00 N ATOM 1013 CA SER A 62 -1.090 -3.561 -3.227 1.00 0.00 C ATOM 1014 C SER A 62 -0.349 -4.794 -2.729 1.00 0.00 C ATOM 1015 O SER A 62 -0.559 -5.897 -3.230 1.00 0.00 O ATOM 1016 CB SER A 62 -0.327 -2.933 -4.395 1.00 0.00 C ATOM 1017 OG SER A 62 0.001 -3.906 -5.373 1.00 0.00 O ATOM 0 H SER A 62 -0.779 -1.717 -2.278 1.00 0.00 H new ATOM 0 HA SER A 62 -2.079 -3.854 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.932 -2.147 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.584 -2.462 -4.027 1.00 0.00 H new ATOM 0 HG SER A 62 0.487 -3.479 -6.109 1.00 0.00 H new ATOM 1023 N MET A 63 0.521 -4.603 -1.735 1.00 0.00 N ATOM 1024 CA MET A 63 1.281 -5.716 -1.182 1.00 0.00 C ATOM 1025 C MET A 63 0.348 -6.790 -0.634 1.00 0.00 C ATOM 1026 O MET A 63 0.593 -7.983 -0.812 1.00 0.00 O ATOM 1027 CB MET A 63 2.232 -5.225 -0.090 1.00 0.00 C ATOM 1028 CG MET A 63 3.572 -4.748 -0.628 1.00 0.00 C ATOM 1029 SD MET A 63 4.631 -6.106 -1.165 1.00 0.00 S ATOM 1030 CE MET A 63 4.950 -6.932 0.391 1.00 0.00 C ATOM 0 H MET A 63 0.712 -3.699 -1.304 1.00 0.00 H new ATOM 0 HA MET A 63 1.873 -6.156 -1.985 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.757 -4.410 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.401 -6.031 0.624 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.402 -4.072 -1.466 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.086 -4.176 0.144 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.504 -7.853 0.207 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.537 -6.278 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.004 -7.169 0.878 1.00 0.00 H new ATOM 1040 N ILE A 64 -0.733 -6.366 0.015 1.00 0.00 N ATOM 1041 CA ILE A 64 -1.702 -7.309 0.560 1.00 0.00 C ATOM 1042 C ILE A 64 -2.466 -7.978 -0.574 1.00 0.00 C ATOM 1043 O ILE A 64 -2.821 -9.153 -0.489 1.00 0.00 O ATOM 1044 CB ILE A 64 -2.695 -6.617 1.515 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -1.980 -6.182 2.792 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -3.865 -7.536 1.847 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -1.472 -4.760 2.734 1.00 0.00 C ATOM 0 H ILE A 64 -0.958 -5.384 0.175 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.153 -8.058 1.130 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.092 -5.734 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.663 -6.283 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.142 -6.853 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.550 -7.023 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.390 -7.802 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.492 -8.441 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.974 -4.513 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.765 -4.659 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.310 -4.080 2.578 1.00 0.00 H new ATOM 1059 N ILE A 65 -2.694 -7.226 -1.647 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.391 -7.755 -2.811 1.00 0.00 C ATOM 1061 C ILE A 65 -2.650 -8.971 -3.342 1.00 0.00 C ATOM 1062 O ILE A 65 -3.253 -10.002 -3.640 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.501 -6.704 -3.931 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.126 -5.413 -3.396 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.313 -7.251 -5.097 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.463 -5.620 -2.713 1.00 0.00 C ATOM 0 H ILE A 65 -2.406 -6.251 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.398 -8.032 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.497 -6.475 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.435 -4.951 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.254 -4.713 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.381 -6.495 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.826 -8.141 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.315 -7.508 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.844 -4.661 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.170 -6.053 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.338 -6.295 -1.866 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.331 -8.844 -3.436 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.495 -9.938 -3.905 1.00 0.00 C ATOM 1080 C GLU A 66 -0.342 -10.988 -2.809 1.00 0.00 C ATOM 1081 O GLU A 66 0.070 -12.118 -3.071 1.00 0.00 O ATOM 1082 CB GLU A 66 0.879 -9.415 -4.329 1.00 0.00 C ATOM 1083 CG GLU A 66 0.956 -9.032 -5.798 1.00 0.00 C ATOM 1084 CD GLU A 66 2.359 -9.154 -6.359 1.00 0.00 C ATOM 1085 OE1 GLU A 66 3.106 -10.044 -5.900 1.00 0.00 O ATOM 1086 OE2 GLU A 66 2.711 -8.360 -7.257 1.00 0.00 O ATOM 0 H GLU A 66 -0.820 -7.995 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.974 -10.397 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.131 -8.546 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.629 -10.178 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.283 -9.669 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.607 -8.007 -5.921 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.683 -10.607 -1.577 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.589 -11.519 -0.443 1.00 0.00 C ATOM 1095 C TYR A 67 -1.852 -12.363 -0.329 1.00 0.00 C ATOM 1096 O TYR A 67 -1.795 -13.547 0.002 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.369 -10.737 0.852 1.00 0.00 C ATOM 1098 CG TYR A 67 0.392 -11.511 1.905 1.00 0.00 C ATOM 1099 CD1 TYR A 67 1.779 -11.454 1.971 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -0.276 -12.296 2.836 1.00 0.00 C ATOM 1101 CE1 TYR A 67 2.478 -12.158 2.932 1.00 0.00 C ATOM 1102 CE2 TYR A 67 0.415 -13.002 3.802 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.791 -12.931 3.846 1.00 0.00 C ATOM 1104 OH TYR A 67 2.483 -13.633 4.806 1.00 0.00 O ATOM 0 H TYR A 67 -1.025 -9.675 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 67 0.262 -12.180 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.173 -9.819 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.337 -10.443 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.320 -10.849 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.354 -12.356 2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.556 -12.104 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.120 -13.607 4.519 1.00 0.00 H new ATOM 0 HH TYR A 67 1.851 -14.125 5.371 1.00 0.00 H new ATOM 1114 N ARG A 68 -2.993 -11.743 -0.606 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.277 -12.429 -0.536 1.00 0.00 C ATOM 1116 C ARG A 68 -4.485 -13.326 -1.754 1.00 0.00 C ATOM 1117 O ARG A 68 -5.216 -14.313 -1.690 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.416 -11.412 -0.436 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.549 -10.525 -1.663 1.00 0.00 C ATOM 1120 CD ARG A 68 -6.842 -9.726 -1.635 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.284 -9.352 -2.976 1.00 0.00 N ATOM 1122 CZ ARG A 68 -7.715 -10.224 -3.884 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -7.766 -11.519 -3.599 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -8.099 -9.800 -5.080 1.00 0.00 N ATOM 0 H ARG A 68 -3.055 -10.763 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.277 -13.055 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.354 -11.944 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.255 -10.784 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.700 -9.843 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.519 -11.140 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.620 -10.313 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.699 -8.826 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.261 -8.365 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.474 -11.851 -2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.097 -12.183 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.064 -8.806 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.429 -10.468 -5.776 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.837 -12.975 -2.862 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.952 -13.750 -4.093 1.00 0.00 C ATOM 1140 C GLU A 69 -2.975 -14.923 -4.096 1.00 0.00 C ATOM 1141 O GLU A 69 -3.192 -15.919 -4.781 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.702 -12.854 -5.309 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.813 -12.910 -6.345 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.315 -12.619 -7.747 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -3.131 -12.900 -8.027 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -5.110 -12.109 -8.565 1.00 0.00 O ATOM 0 H GLU A 69 -3.228 -12.160 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.965 -14.149 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.582 -11.824 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.763 -13.147 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.275 -13.897 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.588 -12.190 -6.081 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.910 -14.803 -3.310 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.912 -15.850 -3.199 1.00 0.00 C ATOM 1155 C LYS A 70 -1.296 -16.781 -2.067 1.00 0.00 C ATOM 1156 O LYS A 70 -1.080 -17.985 -2.136 1.00 0.00 O ATOM 1157 CB LYS A 70 0.476 -15.253 -2.953 1.00 0.00 C ATOM 1158 CG LYS A 70 0.628 -14.602 -1.588 1.00 0.00 C ATOM 1159 CD LYS A 70 1.996 -13.957 -1.425 1.00 0.00 C ATOM 1160 CE LYS A 70 2.632 -14.326 -0.094 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.793 -13.451 0.230 1.00 0.00 N ATOM 0 H LYS A 70 -1.719 -13.981 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.873 -16.409 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.224 -16.040 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.685 -14.512 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.148 -13.849 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.483 -15.350 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.647 -14.272 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.899 -12.874 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.887 -14.248 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.958 -15.366 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.593 -14.037 0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.068 -12.911 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.530 -12.792 0.991 1.00 0.00 H new ATOM 1175 N GLN A 71 -1.890 -16.206 -1.028 1.00 0.00 N ATOM 1176 CA GLN A 71 -2.333 -16.982 0.114 1.00 0.00 C ATOM 1177 C GLN A 71 -3.541 -17.815 -0.276 1.00 0.00 C ATOM 1178 O GLN A 71 -3.739 -18.913 0.232 1.00 0.00 O ATOM 1179 CB GLN A 71 -2.673 -16.066 1.290 1.00 0.00 C ATOM 1180 CG GLN A 71 -2.859 -16.807 2.604 1.00 0.00 C ATOM 1181 CD GLN A 71 -3.980 -16.228 3.445 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.052 -15.906 2.935 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -3.734 -16.090 4.743 1.00 0.00 N ATOM 0 H GLN A 71 -2.074 -15.205 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.526 -17.645 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.878 -15.329 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.586 -15.517 1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.069 -17.857 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.929 -16.773 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.830 -16.370 5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.449 -15.704 5.359 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.340 -17.297 -1.203 1.00 0.00 N ATOM 1193 CA LYS A 72 -5.510 -18.027 -1.665 1.00 0.00 C ATOM 1194 C LYS A 72 -5.137 -18.913 -2.842 1.00 0.00 C ATOM 1195 O LYS A 72 -5.740 -19.959 -3.068 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.639 -17.071 -2.054 1.00 0.00 C ATOM 1197 CG LYS A 72 -7.599 -16.764 -0.914 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.008 -17.244 -1.224 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.744 -16.267 -2.126 1.00 0.00 C ATOM 1200 NZ LYS A 72 -11.218 -16.473 -2.084 1.00 0.00 N ATOM 0 H LYS A 72 -4.200 -16.387 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.869 -18.652 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.206 -16.138 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.199 -17.503 -2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.244 -17.241 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.613 -15.690 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.963 -18.221 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.563 -17.371 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.511 -15.247 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.391 -16.382 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.682 -15.787 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.443 -17.438 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.560 -16.338 -1.111 1.00 0.00 H new ATOM 1214 N SER A 73 -4.114 -18.506 -3.573 1.00 0.00 N ATOM 1215 CA SER A 73 -3.639 -19.286 -4.696 1.00 0.00 C ATOM 1216 C SER A 73 -2.736 -20.389 -4.177 1.00 0.00 C ATOM 1217 O SER A 73 -2.722 -21.503 -4.700 1.00 0.00 O ATOM 1218 CB SER A 73 -2.874 -18.402 -5.670 1.00 0.00 C ATOM 1219 OG SER A 73 -2.298 -19.166 -6.715 1.00 0.00 O ATOM 0 H SER A 73 -3.599 -17.641 -3.407 1.00 0.00 H new ATOM 0 HA SER A 73 -4.489 -19.719 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.546 -17.654 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.091 -17.862 -5.137 1.00 0.00 H new ATOM 0 HG SER A 73 -1.814 -18.572 -7.326 1.00 0.00 H new ATOM 1225 N GLU A 74 -1.983 -20.064 -3.128 1.00 0.00 N ATOM 1226 CA GLU A 74 -1.074 -21.025 -2.519 1.00 0.00 C ATOM 1227 C GLU A 74 -1.771 -21.827 -1.422 1.00 0.00 C ATOM 1228 O GLU A 74 -1.666 -23.053 -1.387 1.00 0.00 O ATOM 1229 CB GLU A 74 0.154 -20.315 -1.945 1.00 0.00 C ATOM 1230 CG GLU A 74 1.310 -21.254 -1.638 1.00 0.00 C ATOM 1231 CD GLU A 74 1.918 -21.004 -0.272 1.00 0.00 C ATOM 1232 OE1 GLU A 74 1.150 -20.820 0.695 1.00 0.00 O ATOM 1233 OE2 GLU A 74 3.163 -20.992 -0.169 1.00 0.00 O ATOM 0 H GLU A 74 -1.986 -19.145 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.753 -21.716 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.490 -19.558 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.132 -19.793 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.960 -22.285 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.080 -21.138 -2.401 1.00 0.00 H new ATOM 1240 N ARG A 75 -2.481 -21.141 -0.524 1.00 0.00 N ATOM 1241 CA ARG A 75 -3.178 -21.826 0.560 1.00 0.00 C ATOM 1242 C ARG A 75 -4.606 -22.177 0.162 1.00 0.00 C ATOM 1243 O ARG A 75 -5.150 -23.188 0.606 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.181 -20.982 1.839 1.00 0.00 C ATOM 1245 CG ARG A 75 -1.899 -20.191 2.056 1.00 0.00 C ATOM 1246 CD ARG A 75 -1.711 -19.827 3.520 1.00 0.00 C ATOM 1247 NE ARG A 75 -1.748 -21.003 4.386 1.00 0.00 N ATOM 1248 CZ ARG A 75 -1.789 -20.944 5.715 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -1.798 -19.769 6.334 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -1.820 -22.062 6.428 1.00 0.00 N ATOM 0 H ARG A 75 -2.586 -20.126 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.637 -22.751 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.022 -20.290 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.342 -21.637 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.046 -20.777 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.924 -19.282 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.758 -19.314 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.491 -19.129 3.823 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.742 -21.923 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.773 -18.906 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.830 -19.729 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.812 -22.967 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.851 -22.017 7.447 1.00 0.00 H new ATOM 1264 N ALA A 76 -5.213 -21.336 -0.676 1.00 0.00 N ATOM 1265 CA ALA A 76 -6.587 -21.567 -1.125 1.00 0.00 C ATOM 1266 C ALA A 76 -7.494 -21.977 0.033 1.00 0.00 C ATOM 1267 O ALA A 76 -8.525 -22.633 -0.227 1.00 0.00 O ATOM 1268 CB ALA A 76 -6.613 -22.625 -2.217 1.00 0.00 C ATOM 1269 OXT ALA A 76 -7.166 -21.639 1.189 1.00 0.00 O ATOM 0 H ALA A 76 -4.779 -20.495 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.968 -20.629 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.641 -22.787 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.014 -22.289 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.203 -23.558 -1.830 1.00 0.00 H new TER 1275 ALA A 76