USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 778 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 38 THR OG1 : rot 180:sc= -0.0419 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.1 X(o=0.058,f=0.37) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.0991 K(o=-1,f=-6.2!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.12 K(o=-1,f=-4.8) USER MOD Single : A 1 SER N :NH3+ 131:sc= 0.0599 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.576 F(o=-3.1!,f=-0.58) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0362 F(o=-1.8,f=-0.036) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0399) USER MOD Single : A 52 THR OG1 : rot 113:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -0.0149 (180deg=-0.163) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= 0.752 (180deg=-0.281!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= -0.003 (180deg=-0.148) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.218 F(o=-1.2,f=-0.22) USER MOD Single : A 75 MET CE :methyl 150:sc= -2.22! (180deg=-3.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.831 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.0492 (180deg=-0.242) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.234 19.117 -1.213 1.00 0.00 N ATOM 2 CA SER A 1 -0.997 19.396 -1.977 1.00 0.00 C ATOM 3 C SER A 1 -1.698 18.094 -2.335 1.00 0.00 C ATOM 4 O SER A 1 -1.044 17.066 -2.508 1.00 0.00 O ATOM 5 CB SER A 1 -0.656 20.177 -3.248 1.00 0.00 C ATOM 6 OG SER A 1 0.006 21.393 -2.937 1.00 0.00 O ATOM 0 H1 SER A 1 1.027 19.649 -1.626 1.00 0.00 H new ATOM 0 H2 SER A 1 0.101 19.406 -0.223 1.00 0.00 H new ATOM 0 H3 SER A 1 0.443 18.099 -1.251 1.00 0.00 H new ATOM 0 HA SER A 1 -1.667 19.996 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.022 19.569 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.569 20.388 -3.805 1.00 0.00 H new ATOM 0 HG SER A 1 0.215 21.873 -3.766 1.00 0.00 H new ATOM 11 N ASN A 2 -3.028 18.158 -2.432 1.00 0.00 N ATOM 12 CA ASN A 2 -3.866 16.998 -2.747 1.00 0.00 C ATOM 13 C ASN A 2 -3.741 15.920 -1.681 1.00 0.00 C ATOM 14 O ASN A 2 -2.875 15.046 -1.739 1.00 0.00 O ATOM 15 CB ASN A 2 -3.520 16.398 -4.102 1.00 0.00 C ATOM 16 CG ASN A 2 -4.531 15.350 -4.538 1.00 0.00 C ATOM 17 OD1 ASN A 2 -5.711 15.422 -4.186 1.00 0.00 O ATOM 18 ND2 ASN A 2 -4.080 14.367 -5.303 1.00 0.00 N ATOM 0 H ASN A 2 -3.556 19.019 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.893 17.361 -2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.476 17.191 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.528 15.948 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.716 13.636 -5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.097 14.341 -5.574 1.00 0.00 H new ATOM 25 N THR A 3 -4.609 16.000 -0.705 1.00 0.00 N ATOM 26 CA THR A 3 -4.669 15.011 0.355 1.00 0.00 C ATOM 27 C THR A 3 -5.915 14.146 0.199 1.00 0.00 C ATOM 28 O THR A 3 -7.040 14.612 0.387 1.00 0.00 O ATOM 29 CB THR A 3 -4.669 15.674 1.744 1.00 0.00 C ATOM 30 OG1 THR A 3 -3.495 16.488 1.896 1.00 0.00 O ATOM 31 CG2 THR A 3 -4.705 14.624 2.845 1.00 0.00 C ATOM 0 H THR A 3 -5.296 16.749 -0.618 1.00 0.00 H new ATOM 0 HA THR A 3 -3.780 14.386 0.275 1.00 0.00 H new ATOM 0 HB THR A 3 -5.560 16.296 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.501 16.909 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.704 15.116 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.608 14.022 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.829 13.981 2.763 1.00 0.00 H new ATOM 39 N ARG A 4 -5.703 12.902 -0.188 1.00 0.00 N ATOM 40 CA ARG A 4 -6.784 11.961 -0.364 1.00 0.00 C ATOM 41 C ARG A 4 -6.950 11.117 0.901 1.00 0.00 C ATOM 42 O ARG A 4 -5.991 10.946 1.659 1.00 0.00 O ATOM 43 CB ARG A 4 -6.502 11.074 -1.575 1.00 0.00 C ATOM 44 CG ARG A 4 -5.099 11.206 -2.160 1.00 0.00 C ATOM 45 CD ARG A 4 -4.173 10.122 -1.624 1.00 0.00 C ATOM 46 NE ARG A 4 -4.500 9.749 -0.248 1.00 0.00 N ATOM 47 CZ ARG A 4 -3.945 8.740 0.419 1.00 0.00 C ATOM 48 NH1 ARG A 4 -2.880 8.128 -0.058 1.00 0.00 N ATOM 49 NH2 ARG A 4 -4.443 8.379 1.600 1.00 0.00 N ATOM 0 H ARG A 4 -4.779 12.520 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.713 12.503 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.664 10.034 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.227 11.308 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.148 11.141 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.692 12.188 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.239 9.241 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.142 10.472 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.206 10.303 0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.475 8.427 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.461 7.356 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.245 8.875 1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.022 7.606 2.116 1.00 0.00 H new ATOM 63 N ASN A 5 -8.136 10.566 1.125 1.00 0.00 N ATOM 64 CA ASN A 5 -8.422 9.832 2.352 1.00 0.00 C ATOM 65 C ASN A 5 -8.844 8.404 2.034 1.00 0.00 C ATOM 66 O ASN A 5 -9.693 8.177 1.168 1.00 0.00 O ATOM 67 CB ASN A 5 -9.548 10.518 3.128 1.00 0.00 C ATOM 68 CG ASN A 5 -9.203 11.933 3.548 1.00 0.00 C ATOM 69 OD1 ASN A 5 -8.704 12.161 4.646 1.00 0.00 O ATOM 70 ND2 ASN A 5 -9.464 12.889 2.675 1.00 0.00 N ATOM 0 H ASN A 5 -8.918 10.613 0.471 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.514 9.817 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.447 10.537 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.782 9.929 4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.250 13.860 2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.879 12.656 1.773 1.00 0.00 H new ATOM 77 N PHE A 6 -8.255 7.446 2.734 1.00 0.00 N ATOM 78 CA PHE A 6 -8.561 6.035 2.527 1.00 0.00 C ATOM 79 C PHE A 6 -8.524 5.307 3.854 1.00 0.00 C ATOM 80 O PHE A 6 -7.598 5.502 4.631 1.00 0.00 O ATOM 81 CB PHE A 6 -7.530 5.371 1.609 1.00 0.00 C ATOM 82 CG PHE A 6 -7.369 5.988 0.248 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.593 7.122 0.069 1.00 0.00 C ATOM 84 CD2 PHE A 6 -7.954 5.403 -0.865 1.00 0.00 C ATOM 85 CE1 PHE A 6 -6.406 7.654 -1.185 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.774 5.946 -2.125 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.991 7.074 -2.280 1.00 0.00 C ATOM 0 H PHE A 6 -7.557 7.621 3.457 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.549 5.977 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.562 5.387 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.806 4.324 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.130 7.593 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.556 4.514 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.794 8.535 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.244 5.490 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.840 7.498 -3.262 1.00 0.00 H new ATOM 97 N VAL A 7 -9.508 4.474 4.139 1.00 0.00 N ATOM 98 CA VAL A 7 -9.430 3.615 5.302 1.00 0.00 C ATOM 99 C VAL A 7 -9.396 2.171 4.813 1.00 0.00 C ATOM 100 O VAL A 7 -10.132 1.794 3.895 1.00 0.00 O ATOM 101 CB VAL A 7 -10.604 3.871 6.295 1.00 0.00 C ATOM 102 CG1 VAL A 7 -11.152 5.279 6.133 1.00 0.00 C ATOM 103 CG2 VAL A 7 -11.719 2.858 6.153 1.00 0.00 C ATOM 0 H VAL A 7 -10.360 4.375 3.587 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.523 3.834 5.865 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.192 3.760 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.970 5.434 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.361 6.002 6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.518 5.412 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.510 3.084 6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.122 2.900 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.330 1.859 6.347 1.00 0.00 H new ATOM 113 N LEU A 8 -8.490 1.401 5.374 1.00 0.00 N ATOM 114 CA LEU A 8 -8.228 0.042 4.913 1.00 0.00 C ATOM 115 C LEU A 8 -9.409 -0.888 5.146 1.00 0.00 C ATOM 116 O LEU A 8 -10.162 -0.714 6.098 1.00 0.00 O ATOM 117 CB LEU A 8 -7.025 -0.516 5.665 1.00 0.00 C ATOM 118 CG LEU A 8 -6.695 -1.977 5.368 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.590 -2.069 4.332 1.00 0.00 C ATOM 120 CD2 LEU A 8 -6.318 -2.714 6.642 1.00 0.00 C ATOM 0 H LEU A 8 -7.911 1.692 6.162 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.042 0.093 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.153 0.093 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.204 -0.411 6.735 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.584 -2.458 4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.366 -3.117 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.913 -1.584 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.696 -1.573 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.087 -3.753 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.445 -2.241 7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.151 -2.678 7.344 1.00 0.00 H new ATOM 132 N ARG A 9 -9.569 -1.882 4.281 1.00 0.00 N ATOM 133 CA ARG A 9 -10.407 -3.025 4.580 1.00 0.00 C ATOM 134 C ARG A 9 -9.521 -4.262 4.556 1.00 0.00 C ATOM 135 O ARG A 9 -8.859 -4.536 3.557 1.00 0.00 O ATOM 136 CB ARG A 9 -11.547 -3.175 3.568 1.00 0.00 C ATOM 137 CG ARG A 9 -12.568 -2.049 3.610 1.00 0.00 C ATOM 138 CD ARG A 9 -13.758 -2.342 2.706 1.00 0.00 C ATOM 139 NE ARG A 9 -14.546 -3.483 3.177 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.329 -4.236 2.396 1.00 0.00 C ATOM 141 NH1 ARG A 9 -15.419 -3.986 1.095 1.00 0.00 N ATOM 142 NH2 ARG A 9 -16.019 -5.240 2.917 1.00 0.00 N ATOM 0 H ARG A 9 -9.125 -1.915 3.363 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.868 -2.890 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.123 -3.229 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.058 -4.121 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.914 -1.908 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.096 -1.116 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.396 -1.460 2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.403 -2.541 1.695 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.494 -3.720 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.889 -3.216 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.018 -4.564 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.954 -5.440 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.615 -5.813 2.320 1.00 0.00 H new ATOM 156 N ASP A 10 -9.512 -5.011 5.643 1.00 0.00 N ATOM 157 CA ASP A 10 -8.536 -6.086 5.802 1.00 0.00 C ATOM 158 C ASP A 10 -9.047 -7.369 5.178 1.00 0.00 C ATOM 159 O ASP A 10 -10.168 -7.412 4.672 1.00 0.00 O ATOM 160 CB ASP A 10 -8.210 -6.301 7.283 1.00 0.00 C ATOM 161 CG ASP A 10 -6.945 -7.109 7.527 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.199 -7.375 6.565 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.691 -7.476 8.692 1.00 0.00 O ATOM 0 H ASP A 10 -10.159 -4.901 6.424 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.620 -5.796 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.107 -5.330 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.050 -6.807 7.760 1.00 0.00 H new ATOM 168 N GLU A 11 -8.201 -8.378 5.186 1.00 0.00 N ATOM 169 CA GLU A 11 -8.496 -9.678 4.587 1.00 0.00 C ATOM 170 C GLU A 11 -9.906 -10.186 4.922 1.00 0.00 C ATOM 171 O GLU A 11 -10.617 -10.658 4.035 1.00 0.00 O ATOM 172 CB GLU A 11 -7.441 -10.700 5.006 1.00 0.00 C ATOM 173 CG GLU A 11 -7.350 -10.909 6.503 1.00 0.00 C ATOM 174 CD GLU A 11 -6.463 -12.075 6.874 1.00 0.00 C ATOM 175 OE1 GLU A 11 -5.234 -11.887 6.977 1.00 0.00 O ATOM 176 OE2 GLU A 11 -6.995 -13.190 7.061 1.00 0.00 O ATOM 0 H GLU A 11 -7.276 -8.325 5.612 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.465 -9.546 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.664 -11.654 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.469 -10.377 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.966 -10.002 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.350 -11.076 6.904 1.00 0.00 H new ATOM 183 N ASP A 12 -10.313 -10.075 6.188 1.00 0.00 N ATOM 184 CA ASP A 12 -11.648 -10.519 6.602 1.00 0.00 C ATOM 185 C ASP A 12 -12.730 -9.774 5.834 1.00 0.00 C ATOM 186 O ASP A 12 -13.732 -10.351 5.414 1.00 0.00 O ATOM 187 CB ASP A 12 -11.852 -10.264 8.101 1.00 0.00 C ATOM 188 CG ASP A 12 -11.198 -11.298 8.991 1.00 0.00 C ATOM 189 OD1 ASP A 12 -9.967 -11.481 8.903 1.00 0.00 O ATOM 190 OD2 ASP A 12 -11.914 -11.907 9.814 1.00 0.00 O ATOM 0 H ASP A 12 -9.744 -9.685 6.939 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.722 -11.586 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.454 -9.280 8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.921 -10.239 8.314 1.00 0.00 H new ATOM 195 N GLY A 13 -12.511 -8.484 5.670 1.00 0.00 N ATOM 196 CA GLY A 13 -13.405 -7.672 4.877 1.00 0.00 C ATOM 197 C GLY A 13 -14.004 -6.563 5.705 1.00 0.00 C ATOM 198 O GLY A 13 -15.080 -6.055 5.400 1.00 0.00 O ATOM 0 H GLY A 13 -11.723 -7.979 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.863 -7.248 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.200 -8.295 4.466 1.00 0.00 H new ATOM 202 N ASN A 14 -13.290 -6.174 6.748 1.00 0.00 N ATOM 203 CA ASN A 14 -13.746 -5.134 7.653 1.00 0.00 C ATOM 204 C ASN A 14 -12.888 -3.901 7.486 1.00 0.00 C ATOM 205 O ASN A 14 -11.847 -3.949 6.838 1.00 0.00 O ATOM 206 CB ASN A 14 -13.688 -5.594 9.109 1.00 0.00 C ATOM 207 CG ASN A 14 -12.376 -6.280 9.466 1.00 0.00 C ATOM 208 OD1 ASN A 14 -11.331 -6.013 8.875 1.00 0.00 O ATOM 209 ND2 ASN A 14 -12.422 -7.184 10.431 1.00 0.00 N ATOM 0 H ASN A 14 -12.381 -6.569 6.990 1.00 0.00 H new ATOM 0 HA ASN A 14 -14.783 -4.907 7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.830 -4.733 9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -14.514 -6.279 9.301 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.575 -7.682 10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.305 -7.383 10.902 1.00 0.00 H new ATOM 216 N GLU A 15 -13.312 -2.821 8.101 1.00 0.00 N ATOM 217 CA GLU A 15 -12.668 -1.539 7.932 1.00 0.00 C ATOM 218 C GLU A 15 -11.668 -1.280 9.045 1.00 0.00 C ATOM 219 O GLU A 15 -11.899 -1.634 10.202 1.00 0.00 O ATOM 220 CB GLU A 15 -13.728 -0.453 7.900 1.00 0.00 C ATOM 221 CG GLU A 15 -14.672 -0.595 6.719 1.00 0.00 C ATOM 222 CD GLU A 15 -15.336 0.706 6.322 1.00 0.00 C ATOM 223 OE1 GLU A 15 -15.890 1.403 7.201 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.320 1.029 5.119 1.00 0.00 O ATOM 0 H GLU A 15 -14.113 -2.807 8.732 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.117 -1.537 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.303 -0.484 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.243 0.522 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.119 -0.987 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.441 -1.327 6.964 1.00 0.00 H new ATOM 231 N HIS A 16 -10.553 -0.671 8.683 1.00 0.00 N ATOM 232 CA HIS A 16 -9.485 -0.400 9.628 1.00 0.00 C ATOM 233 C HIS A 16 -8.991 1.032 9.526 1.00 0.00 C ATOM 234 O HIS A 16 -9.525 1.838 8.766 1.00 0.00 O ATOM 235 CB HIS A 16 -8.290 -1.337 9.414 1.00 0.00 C ATOM 236 CG HIS A 16 -8.521 -2.748 9.841 1.00 0.00 C ATOM 237 ND1 HIS A 16 -7.919 -3.310 10.942 1.00 0.00 N ATOM 238 CD2 HIS A 16 -9.276 -3.719 9.296 1.00 0.00 C ATOM 239 CE1 HIS A 16 -8.301 -4.568 11.049 1.00 0.00 C ATOM 240 NE2 HIS A 16 -9.125 -4.840 10.063 1.00 0.00 N ATOM 0 H HIS A 16 -10.363 -0.352 7.733 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.910 -0.568 10.617 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.025 -1.330 8.357 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.433 -0.942 9.960 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.890 -3.629 8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.989 -5.259 11.818 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.577 -5.739 9.897 1.00 0.00 H new ATOM 249 N GLY A 17 -7.998 1.296 10.368 1.00 0.00 N ATOM 250 CA GLY A 17 -7.279 2.560 10.426 1.00 0.00 C ATOM 251 C GLY A 17 -7.382 3.410 9.176 1.00 0.00 C ATOM 252 O GLY A 17 -7.096 2.949 8.068 1.00 0.00 O ATOM 0 H GLY A 17 -7.662 0.615 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.654 3.136 11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.227 2.354 10.622 1.00 0.00 H new ATOM 256 N VAL A 18 -7.797 4.652 9.357 1.00 0.00 N ATOM 257 CA VAL A 18 -7.855 5.591 8.255 1.00 0.00 C ATOM 258 C VAL A 18 -6.475 6.153 7.982 1.00 0.00 C ATOM 259 O VAL A 18 -5.807 6.670 8.878 1.00 0.00 O ATOM 260 CB VAL A 18 -8.850 6.747 8.515 1.00 0.00 C ATOM 261 CG1 VAL A 18 -8.650 7.348 9.899 1.00 0.00 C ATOM 262 CG2 VAL A 18 -8.718 7.818 7.438 1.00 0.00 C ATOM 0 H VAL A 18 -8.098 5.031 10.255 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.214 5.044 7.383 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.859 6.337 8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.364 8.157 10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.807 6.579 10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.636 7.738 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.425 8.623 7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.703 8.217 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.931 7.381 6.462 1.00 0.00 H new ATOM 272 N PHE A 19 -6.047 6.029 6.748 1.00 0.00 N ATOM 273 CA PHE A 19 -4.750 6.520 6.334 1.00 0.00 C ATOM 274 C PHE A 19 -4.973 7.670 5.379 1.00 0.00 C ATOM 275 O PHE A 19 -5.965 7.688 4.648 1.00 0.00 O ATOM 276 CB PHE A 19 -3.955 5.413 5.636 1.00 0.00 C ATOM 277 CG PHE A 19 -4.112 4.065 6.275 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.824 3.886 7.613 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.550 2.984 5.534 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.972 2.643 8.207 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.698 1.743 6.118 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.410 1.571 7.455 1.00 0.00 C ATOM 0 H PHE A 19 -6.585 5.586 6.003 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.181 6.847 7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.272 5.351 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.899 5.683 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.480 4.723 8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.779 3.112 4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.745 2.513 9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.040 0.906 5.527 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.527 0.600 7.913 1.00 0.00 H new ATOM 292 N THR A 20 -4.080 8.630 5.342 1.00 0.00 N ATOM 293 CA THR A 20 -4.251 9.773 4.478 1.00 0.00 C ATOM 294 C THR A 20 -2.924 10.042 3.810 1.00 0.00 C ATOM 295 O THR A 20 -1.871 9.856 4.420 1.00 0.00 O ATOM 296 CB THR A 20 -4.701 11.019 5.255 1.00 0.00 C ATOM 297 OG1 THR A 20 -3.827 11.248 6.369 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.119 10.839 5.747 1.00 0.00 C ATOM 0 H THR A 20 -3.227 8.642 5.901 1.00 0.00 H new ATOM 0 HA THR A 20 -5.029 9.555 3.746 1.00 0.00 H new ATOM 0 HB THR A 20 -4.661 11.881 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.121 12.045 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.429 11.728 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.783 10.689 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.169 9.970 6.404 1.00 0.00 H new ATOM 306 N GLY A 21 -2.957 10.423 2.559 1.00 0.00 N ATOM 307 CA GLY A 21 -1.726 10.555 1.822 1.00 0.00 C ATOM 308 C GLY A 21 -1.842 11.500 0.657 1.00 0.00 C ATOM 309 O GLY A 21 -2.881 12.129 0.449 1.00 0.00 O ATOM 0 H GLY A 21 -3.805 10.644 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.942 10.907 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.418 9.574 1.459 1.00 0.00 H new ATOM 313 N LYS A 22 -0.772 11.580 -0.102 1.00 0.00 N ATOM 314 CA LYS A 22 -0.721 12.413 -1.284 1.00 0.00 C ATOM 315 C LYS A 22 -1.251 11.653 -2.500 1.00 0.00 C ATOM 316 O LYS A 22 -1.842 12.237 -3.406 1.00 0.00 O ATOM 317 CB LYS A 22 0.722 12.848 -1.492 1.00 0.00 C ATOM 318 CG LYS A 22 0.932 13.900 -2.543 1.00 0.00 C ATOM 319 CD LYS A 22 2.295 14.520 -2.342 1.00 0.00 C ATOM 320 CE LYS A 22 2.627 15.505 -3.432 1.00 0.00 C ATOM 321 NZ LYS A 22 3.981 16.099 -3.261 1.00 0.00 N ATOM 0 H LYS A 22 0.090 11.068 0.083 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.353 13.291 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.111 13.222 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.314 11.971 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.860 13.460 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.156 14.663 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.327 15.023 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.051 13.736 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.571 15.006 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.882 16.300 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.166 16.770 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.029 16.598 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.696 15.344 -3.280 1.00 0.00 H new ATOM 335 N GLN A 23 -1.042 10.343 -2.501 1.00 0.00 N ATOM 336 CA GLN A 23 -1.583 9.467 -3.541 1.00 0.00 C ATOM 337 C GLN A 23 -1.744 8.061 -2.973 1.00 0.00 C ATOM 338 O GLN A 23 -1.092 7.713 -1.985 1.00 0.00 O ATOM 339 CB GLN A 23 -0.663 9.440 -4.763 1.00 0.00 C ATOM 340 CG GLN A 23 0.729 8.912 -4.460 1.00 0.00 C ATOM 341 CD GLN A 23 1.598 8.784 -5.695 1.00 0.00 C ATOM 342 OE1 GLN A 23 2.297 9.719 -6.078 1.00 0.00 O ATOM 343 NE2 GLN A 23 1.564 7.621 -6.329 1.00 0.00 N ATOM 0 H GLN A 23 -0.497 9.857 -1.788 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.553 9.849 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.117 8.821 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.581 10.448 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.216 9.577 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.645 7.937 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.971 6.868 -5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.131 7.479 -7.165 1.00 0.00 H new ATOM 352 N PRO A 24 -2.657 7.256 -3.569 1.00 0.00 N ATOM 353 CA PRO A 24 -3.109 5.963 -3.016 1.00 0.00 C ATOM 354 C PRO A 24 -1.982 5.019 -2.623 1.00 0.00 C ATOM 355 O PRO A 24 -2.181 4.141 -1.791 1.00 0.00 O ATOM 356 CB PRO A 24 -3.946 5.344 -4.147 1.00 0.00 C ATOM 357 CG PRO A 24 -3.658 6.166 -5.354 1.00 0.00 C ATOM 358 CD PRO A 24 -3.333 7.538 -4.846 1.00 0.00 C ATOM 0 HA PRO A 24 -3.656 6.124 -2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.675 4.301 -4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.008 5.363 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.824 5.751 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.517 6.191 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.687 8.083 -5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.230 8.141 -4.705 1.00 0.00 H new ATOM 366 N ARG A 25 -0.810 5.202 -3.220 1.00 0.00 N ATOM 367 CA ARG A 25 0.358 4.395 -2.908 1.00 0.00 C ATOM 368 C ARG A 25 0.707 4.493 -1.419 1.00 0.00 C ATOM 369 O ARG A 25 0.800 3.482 -0.752 1.00 0.00 O ATOM 370 CB ARG A 25 1.535 4.836 -3.781 1.00 0.00 C ATOM 371 CG ARG A 25 2.731 3.900 -3.726 1.00 0.00 C ATOM 372 CD ARG A 25 3.657 4.126 -4.911 1.00 0.00 C ATOM 373 NE ARG A 25 2.988 3.842 -6.183 1.00 0.00 N ATOM 374 CZ ARG A 25 3.558 3.983 -7.379 1.00 0.00 C ATOM 375 NH1 ARG A 25 4.812 4.409 -7.478 1.00 0.00 N ATOM 376 NH2 ARG A 25 2.866 3.701 -8.478 1.00 0.00 N ATOM 0 H ARG A 25 -0.645 5.913 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 25 0.135 3.350 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.197 4.917 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.851 5.832 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.279 4.059 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.387 2.866 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.008 5.158 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.536 3.490 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 25 2.022 3.515 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.344 4.630 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.244 4.515 -8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.901 3.378 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.299 3.808 -9.395 1.00 0.00 H new ATOM 390 N GLN A 26 0.882 5.714 -0.906 1.00 0.00 N ATOM 391 CA GLN A 26 1.128 5.944 0.525 1.00 0.00 C ATOM 392 C GLN A 26 0.020 5.331 1.379 1.00 0.00 C ATOM 393 O GLN A 26 0.275 4.730 2.415 1.00 0.00 O ATOM 394 CB GLN A 26 1.204 7.451 0.795 1.00 0.00 C ATOM 395 CG GLN A 26 2.596 7.953 1.131 1.00 0.00 C ATOM 396 CD GLN A 26 3.058 7.518 2.508 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.702 6.369 2.575 1.00 0.00 O flip ATOM 398 NE2 GLN A 26 2.836 8.211 3.500 1.00 0.00 N flip ATOM 0 H GLN A 26 0.858 6.567 -1.464 1.00 0.00 H new ATOM 0 HA GLN A 26 2.072 5.468 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.839 7.985 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.533 7.696 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.300 7.587 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.609 9.041 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.334 9.094 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.154 7.903 4.419 1.00 0.00 H new ATOM 407 N ALA A 27 -1.203 5.546 0.930 1.00 0.00 N ATOM 408 CA ALA A 27 -2.386 4.975 1.583 1.00 0.00 C ATOM 409 C ALA A 27 -2.269 3.466 1.680 1.00 0.00 C ATOM 410 O ALA A 27 -2.694 2.848 2.655 1.00 0.00 O ATOM 411 CB ALA A 27 -3.645 5.323 0.829 1.00 0.00 C ATOM 0 H ALA A 27 -1.413 6.115 0.110 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.441 5.401 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.505 4.886 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.758 6.406 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.583 4.928 -0.185 1.00 0.00 H new ATOM 417 N ALA A 28 -1.669 2.899 0.660 1.00 0.00 N ATOM 418 CA ALA A 28 -1.503 1.472 0.550 1.00 0.00 C ATOM 419 C ALA A 28 -0.210 1.041 1.205 1.00 0.00 C ATOM 420 O ALA A 28 -0.042 -0.118 1.548 1.00 0.00 O ATOM 421 CB ALA A 28 -1.509 1.094 -0.899 1.00 0.00 C ATOM 0 H ALA A 28 -1.279 3.422 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.323 0.967 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.384 0.015 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.457 1.390 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.691 1.601 -1.411 1.00 0.00 H new ATOM 427 N LEU A 29 0.708 1.977 1.346 1.00 0.00 N ATOM 428 CA LEU A 29 1.876 1.764 2.165 1.00 0.00 C ATOM 429 C LEU A 29 1.415 1.597 3.600 1.00 0.00 C ATOM 430 O LEU A 29 1.662 0.585 4.236 1.00 0.00 O ATOM 431 CB LEU A 29 2.848 2.949 2.070 1.00 0.00 C ATOM 432 CG LEU A 29 4.078 2.735 1.186 1.00 0.00 C ATOM 433 CD1 LEU A 29 3.755 2.990 -0.272 1.00 0.00 C ATOM 434 CD2 LEU A 29 5.222 3.625 1.639 1.00 0.00 C ATOM 0 H LEU A 29 0.664 2.894 0.901 1.00 0.00 H new ATOM 0 HA LEU A 29 2.404 0.876 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.301 3.814 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.186 3.198 3.076 1.00 0.00 H new ATOM 0 HG LEU A 29 4.385 1.694 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.648 2.830 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.971 2.306 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.413 4.018 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.088 3.459 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.918 4.670 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.482 3.386 2.670 1.00 0.00 H new ATOM 446 N LYS A 30 0.826 2.670 4.111 1.00 0.00 N ATOM 447 CA LYS A 30 0.053 2.639 5.374 1.00 0.00 C ATOM 448 C LYS A 30 -0.808 1.369 5.532 1.00 0.00 C ATOM 449 O LYS A 30 -1.265 1.053 6.631 1.00 0.00 O ATOM 450 CB LYS A 30 -0.835 3.874 5.482 1.00 0.00 C ATOM 451 CG LYS A 30 -0.062 5.181 5.595 1.00 0.00 C ATOM 452 CD LYS A 30 0.766 5.234 6.869 1.00 0.00 C ATOM 453 CE LYS A 30 1.561 6.528 6.970 1.00 0.00 C ATOM 454 NZ LYS A 30 2.326 6.608 8.242 1.00 0.00 N ATOM 0 H LYS A 30 0.862 3.591 3.673 1.00 0.00 H new ATOM 0 HA LYS A 30 0.787 2.630 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.483 3.921 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.482 3.769 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.592 5.293 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.759 6.019 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.109 5.142 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.449 4.385 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.249 6.599 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.882 7.378 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.854 7.503 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.668 6.566 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.992 5.811 8.297 1.00 0.00 H new ATOM 468 N ALA A 31 -1.030 0.663 4.437 1.00 0.00 N ATOM 469 CA ALA A 31 -1.690 -0.629 4.475 1.00 0.00 C ATOM 470 C ALA A 31 -0.653 -1.759 4.509 1.00 0.00 C ATOM 471 O ALA A 31 -0.691 -2.635 5.375 1.00 0.00 O ATOM 472 CB ALA A 31 -2.607 -0.786 3.277 1.00 0.00 C ATOM 0 H ALA A 31 -0.759 0.967 3.502 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.291 -0.686 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.096 -1.759 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.362 -0.000 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.023 -0.711 2.360 1.00 0.00 H new ATOM 478 N ALA A 32 0.290 -1.690 3.570 1.00 0.00 N ATOM 479 CA ALA A 32 1.338 -2.697 3.385 1.00 0.00 C ATOM 480 C ALA A 32 2.270 -2.792 4.585 1.00 0.00 C ATOM 481 O ALA A 32 2.871 -3.834 4.835 1.00 0.00 O ATOM 482 CB ALA A 32 2.158 -2.350 2.151 1.00 0.00 C ATOM 0 H ALA A 32 0.349 -0.920 2.904 1.00 0.00 H new ATOM 0 HA ALA A 32 0.845 -3.662 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.939 -3.098 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.509 -2.335 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.615 -1.369 2.282 1.00 0.00 H new ATOM 488 N ASN A 33 2.424 -1.668 5.275 1.00 0.00 N ATOM 489 CA ASN A 33 3.279 -1.535 6.468 1.00 0.00 C ATOM 490 C ASN A 33 3.082 -2.633 7.527 1.00 0.00 C ATOM 491 O ASN A 33 3.812 -2.662 8.520 1.00 0.00 O ATOM 492 CB ASN A 33 3.049 -0.159 7.113 1.00 0.00 C ATOM 493 CG ASN A 33 1.770 -0.079 7.938 1.00 0.00 C ATOM 494 OD1 ASN A 33 0.731 -0.784 7.517 1.00 0.00 O flip ATOM 495 ND2 ASN A 33 1.718 0.628 8.944 1.00 0.00 N flip ATOM 0 H ASN A 33 1.952 -0.800 5.022 1.00 0.00 H new ATOM 0 HA ASN A 33 4.303 -1.644 6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.899 0.080 7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.015 0.599 6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.539 1.157 9.238 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.854 0.685 9.483 1.00 0.00 H new ATOM 502 N ARG A 34 2.124 -3.529 7.332 1.00 0.00 N ATOM 503 CA ARG A 34 1.928 -4.600 8.290 1.00 0.00 C ATOM 504 C ARG A 34 2.843 -5.761 7.909 1.00 0.00 C ATOM 505 O ARG A 34 3.703 -6.170 8.688 1.00 0.00 O ATOM 506 CB ARG A 34 0.469 -5.022 8.232 1.00 0.00 C ATOM 507 CG ARG A 34 -0.036 -5.786 9.441 1.00 0.00 C ATOM 508 CD ARG A 34 -1.527 -6.013 9.303 1.00 0.00 C ATOM 509 NE ARG A 34 -2.136 -6.598 10.491 1.00 0.00 N ATOM 510 CZ ARG A 34 -3.399 -7.019 10.534 1.00 0.00 C ATOM 511 NH1 ARG A 34 -4.154 -6.956 9.441 1.00 0.00 N ATOM 512 NH2 ARG A 34 -3.906 -7.504 11.658 1.00 0.00 N ATOM 0 H ARG A 34 1.485 -3.535 6.537 1.00 0.00 H new ATOM 0 HA ARG A 34 2.169 -4.280 9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.145 -4.130 8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.322 -5.639 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.483 -6.741 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.176 -5.228 10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.013 -5.062 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.710 -6.667 8.450 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.566 -6.690 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.765 -6.586 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.122 -7.278 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.328 -7.557 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.874 -7.825 11.684 1.00 0.00 H new ATOM 526 N GLY A 35 2.651 -6.287 6.702 1.00 0.00 N ATOM 527 CA GLY A 35 3.743 -6.888 5.987 1.00 0.00 C ATOM 528 C GLY A 35 3.357 -8.240 5.447 1.00 0.00 C ATOM 529 O GLY A 35 2.312 -8.387 4.812 1.00 0.00 O ATOM 0 H GLY A 35 1.756 -6.303 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.046 -6.238 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.603 -6.989 6.648 1.00 0.00 H new ATOM 533 N SER A 36 4.215 -9.210 5.702 1.00 0.00 N ATOM 534 CA SER A 36 3.994 -10.599 5.321 1.00 0.00 C ATOM 535 C SER A 36 4.035 -10.788 3.799 1.00 0.00 C ATOM 536 O SER A 36 3.525 -11.778 3.272 1.00 0.00 O ATOM 537 CB SER A 36 2.666 -11.085 5.889 1.00 0.00 C ATOM 538 OG SER A 36 2.655 -11.010 7.308 1.00 0.00 O ATOM 0 H SER A 36 5.099 -9.056 6.187 1.00 0.00 H new ATOM 0 HA SER A 36 4.804 -11.196 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.852 -10.483 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.488 -12.114 5.575 1.00 0.00 H new ATOM 0 HG SER A 36 1.791 -11.326 7.646 1.00 0.00 H new ATOM 544 N GLY A 37 4.639 -9.837 3.102 1.00 0.00 N ATOM 545 CA GLY A 37 4.760 -9.946 1.661 1.00 0.00 C ATOM 546 C GLY A 37 6.092 -9.455 1.136 1.00 0.00 C ATOM 547 O GLY A 37 6.678 -8.517 1.683 1.00 0.00 O ATOM 0 H GLY A 37 5.047 -8.994 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.623 -10.987 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.959 -9.375 1.191 1.00 0.00 H new ATOM 551 N THR A 38 6.568 -10.091 0.073 1.00 0.00 N ATOM 552 CA THR A 38 7.781 -9.664 -0.606 1.00 0.00 C ATOM 553 C THR A 38 7.498 -9.444 -2.082 1.00 0.00 C ATOM 554 O THR A 38 6.382 -9.683 -2.531 1.00 0.00 O ATOM 555 CB THR A 38 8.927 -10.683 -0.459 1.00 0.00 C ATOM 556 OG1 THR A 38 8.496 -11.979 -0.889 1.00 0.00 O ATOM 557 CG2 THR A 38 9.408 -10.760 0.978 1.00 0.00 C ATOM 0 H THR A 38 6.126 -10.912 -0.340 1.00 0.00 H new ATOM 0 HA THR A 38 8.099 -8.733 -0.136 1.00 0.00 H new ATOM 0 HB THR A 38 9.754 -10.349 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.233 -12.618 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.217 -11.487 1.052 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.769 -9.781 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.584 -11.067 1.622 1.00 0.00 H new ATOM 565 N LYS A 39 8.483 -8.979 -2.831 1.00 0.00 N ATOM 566 CA LYS A 39 8.306 -8.768 -4.259 1.00 0.00 C ATOM 567 C LYS A 39 7.921 -10.059 -4.949 1.00 0.00 C ATOM 568 O LYS A 39 7.106 -10.070 -5.877 1.00 0.00 O ATOM 569 CB LYS A 39 9.581 -8.212 -4.875 1.00 0.00 C ATOM 570 CG LYS A 39 9.588 -8.279 -6.383 1.00 0.00 C ATOM 571 CD LYS A 39 10.883 -7.720 -6.946 1.00 0.00 C ATOM 572 CE LYS A 39 10.982 -7.899 -8.453 1.00 0.00 C ATOM 573 NZ LYS A 39 11.185 -9.320 -8.838 1.00 0.00 N ATOM 0 H LYS A 39 9.410 -8.741 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 39 7.501 -8.046 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.706 -7.175 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.436 -8.767 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.463 -9.313 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.742 -7.717 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.955 -6.660 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.728 -8.215 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.072 -7.524 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.808 -7.299 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.382 -9.379 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.989 -9.712 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.327 -9.865 -8.619 1.00 0.00 H new ATOM 587 N ALA A 40 8.484 -11.146 -4.469 1.00 0.00 N ATOM 588 CA ALA A 40 8.268 -12.438 -5.090 1.00 0.00 C ATOM 589 C ALA A 40 6.852 -12.931 -4.824 1.00 0.00 C ATOM 590 O ALA A 40 6.294 -13.717 -5.589 1.00 0.00 O ATOM 591 CB ALA A 40 9.283 -13.453 -4.584 1.00 0.00 C ATOM 0 H ALA A 40 9.094 -11.163 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 40 8.399 -12.324 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.104 -14.416 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.290 -13.111 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.183 -13.560 -3.504 1.00 0.00 H new ATOM 597 N ASN A 41 6.280 -12.443 -3.734 1.00 0.00 N ATOM 598 CA ASN A 41 4.977 -12.872 -3.271 1.00 0.00 C ATOM 599 C ASN A 41 4.343 -11.808 -2.374 1.00 0.00 C ATOM 600 O ASN A 41 4.426 -11.877 -1.146 1.00 0.00 O ATOM 601 CB ASN A 41 5.115 -14.203 -2.529 1.00 0.00 C ATOM 602 CG ASN A 41 6.348 -14.270 -1.638 1.00 0.00 C ATOM 603 OD1 ASN A 41 7.391 -14.783 -2.050 1.00 0.00 O ATOM 604 ND2 ASN A 41 6.253 -13.741 -0.430 1.00 0.00 N ATOM 0 H ASN A 41 6.714 -11.733 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 41 4.320 -13.012 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.226 -14.366 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.156 -15.014 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.059 -13.749 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.374 -13.325 -0.123 1.00 0.00 H new ATOM 611 N PRO A 42 3.715 -10.792 -2.982 1.00 0.00 N ATOM 612 CA PRO A 42 3.121 -9.672 -2.260 1.00 0.00 C ATOM 613 C PRO A 42 1.717 -10.003 -1.791 1.00 0.00 C ATOM 614 O PRO A 42 0.930 -10.585 -2.542 1.00 0.00 O ATOM 615 CB PRO A 42 3.069 -8.555 -3.318 1.00 0.00 C ATOM 616 CG PRO A 42 3.688 -9.139 -4.553 1.00 0.00 C ATOM 617 CD PRO A 42 3.520 -10.622 -4.419 1.00 0.00 C ATOM 0 HA PRO A 42 3.686 -9.406 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.042 -8.240 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.617 -7.674 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.196 -8.768 -5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.741 -8.868 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.535 -10.957 -4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.255 -11.175 -5.004 1.00 0.00 H new ATOM 625 N ASP A 43 1.394 -9.651 -0.555 1.00 0.00 N ATOM 626 CA ASP A 43 0.067 -9.914 -0.022 1.00 0.00 C ATOM 627 C ASP A 43 -0.941 -8.955 -0.642 1.00 0.00 C ATOM 628 O ASP A 43 -0.570 -8.035 -1.371 1.00 0.00 O ATOM 629 CB ASP A 43 0.077 -9.776 1.503 1.00 0.00 C ATOM 630 CG ASP A 43 -1.006 -10.607 2.163 1.00 0.00 C ATOM 631 OD1 ASP A 43 -2.142 -10.117 2.298 1.00 0.00 O ATOM 632 OD2 ASP A 43 -0.724 -11.769 2.532 1.00 0.00 O ATOM 0 H ASP A 43 2.029 -9.185 0.094 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.224 -10.934 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.051 -10.081 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.058 -8.728 1.772 1.00 0.00 H new ATOM 637 N ILE A 44 -2.210 -9.170 -0.352 1.00 0.00 N ATOM 638 CA ILE A 44 -3.269 -8.396 -0.969 1.00 0.00 C ATOM 639 C ILE A 44 -3.941 -7.483 0.043 1.00 0.00 C ATOM 640 O ILE A 44 -4.528 -7.943 1.025 1.00 0.00 O ATOM 641 CB ILE A 44 -4.329 -9.317 -1.618 1.00 0.00 C ATOM 642 CG1 ILE A 44 -3.721 -10.042 -2.806 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.538 -8.514 -2.080 1.00 0.00 C ATOM 644 CD1 ILE A 44 -3.371 -9.090 -3.916 1.00 0.00 C ATOM 0 H ILE A 44 -2.533 -9.877 0.309 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.810 -7.785 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.656 -10.040 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.825 -10.576 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.423 -10.790 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.269 -9.184 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.989 -8.010 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.223 -7.772 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.939 -9.645 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.271 -8.576 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.649 -8.358 -3.554 1.00 0.00 H new ATOM 656 N ILE A 45 -3.863 -6.189 -0.208 1.00 0.00 N ATOM 657 CA ILE A 45 -4.506 -5.222 0.664 1.00 0.00 C ATOM 658 C ILE A 45 -5.482 -4.349 -0.095 1.00 0.00 C ATOM 659 O ILE A 45 -5.192 -3.833 -1.175 1.00 0.00 O ATOM 660 CB ILE A 45 -3.506 -4.345 1.448 1.00 0.00 C ATOM 661 CG1 ILE A 45 -2.494 -3.635 0.542 1.00 0.00 C ATOM 662 CG2 ILE A 45 -2.780 -5.197 2.468 1.00 0.00 C ATOM 663 CD1 ILE A 45 -2.974 -2.327 -0.045 1.00 0.00 C ATOM 0 H ILE A 45 -3.365 -5.785 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.056 -5.813 1.397 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.081 -3.564 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.585 -3.448 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.225 -4.306 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.074 -4.579 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.502 -5.631 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.241 -5.995 1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.190 -1.900 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.864 -2.504 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.214 -1.633 0.761 1.00 0.00 H new ATOM 675 N ARG A 46 -6.670 -4.247 0.443 1.00 0.00 N ATOM 676 CA ARG A 46 -7.692 -3.403 -0.141 1.00 0.00 C ATOM 677 C ARG A 46 -7.907 -2.132 0.663 1.00 0.00 C ATOM 678 O ARG A 46 -8.360 -2.179 1.807 1.00 0.00 O ATOM 679 CB ARG A 46 -9.009 -4.168 -0.212 1.00 0.00 C ATOM 680 CG ARG A 46 -8.925 -5.462 -0.998 1.00 0.00 C ATOM 681 CD ARG A 46 -10.192 -6.281 -0.836 1.00 0.00 C ATOM 682 NE ARG A 46 -10.414 -6.679 0.552 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.114 -7.757 0.909 1.00 0.00 C ATOM 684 NH1 ARG A 46 -11.697 -8.509 -0.016 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.233 -8.090 2.187 1.00 0.00 N ATOM 0 H ARG A 46 -6.959 -4.739 1.289 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.354 -3.124 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.344 -4.391 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.766 -3.528 -0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.763 -5.241 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.067 -6.042 -0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.046 -5.701 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.131 -7.171 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.011 -6.100 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.610 -8.263 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.232 -9.333 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.787 -7.520 2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.770 -8.916 2.451 1.00 0.00 H new ATOM 699 N LEU A 47 -7.583 -0.994 0.070 1.00 0.00 N ATOM 700 CA LEU A 47 -7.968 0.286 0.627 1.00 0.00 C ATOM 701 C LEU A 47 -9.393 0.607 0.235 1.00 0.00 C ATOM 702 O LEU A 47 -9.953 0.028 -0.691 1.00 0.00 O ATOM 703 CB LEU A 47 -7.057 1.435 0.143 1.00 0.00 C ATOM 704 CG LEU A 47 -5.743 1.631 0.904 1.00 0.00 C ATOM 705 CD1 LEU A 47 -5.997 1.691 2.401 1.00 0.00 C ATOM 706 CD2 LEU A 47 -4.741 0.545 0.556 1.00 0.00 C ATOM 0 H LEU A 47 -7.053 -0.934 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.870 0.204 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.821 1.264 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.624 2.365 0.195 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.310 2.583 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.052 1.831 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.662 2.525 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.460 0.760 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.818 0.710 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.154 -0.429 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.531 0.573 -0.513 1.00 0.00 H new ATOM 718 N ARG A 48 -9.962 1.551 0.924 1.00 0.00 N ATOM 719 CA ARG A 48 -11.289 1.990 0.603 1.00 0.00 C ATOM 720 C ARG A 48 -11.240 3.483 0.566 1.00 0.00 C ATOM 721 O ARG A 48 -10.557 4.093 1.386 1.00 0.00 O ATOM 722 CB ARG A 48 -12.342 1.515 1.605 1.00 0.00 C ATOM 723 CG ARG A 48 -13.754 1.727 1.079 1.00 0.00 C ATOM 724 CD ARG A 48 -14.818 1.136 1.985 1.00 0.00 C ATOM 725 NE ARG A 48 -16.148 1.247 1.384 1.00 0.00 N ATOM 726 CZ ARG A 48 -17.277 1.391 2.078 1.00 0.00 C ATOM 727 NH1 ARG A 48 -17.250 1.445 3.405 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.436 1.491 1.436 1.00 0.00 N ATOM 0 H ARG A 48 -9.529 2.032 1.712 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.591 1.562 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.189 0.458 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.219 2.053 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.936 2.795 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.838 1.279 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.591 0.088 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.807 1.650 2.946 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.215 1.212 0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.361 1.376 3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.118 1.555 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.459 1.457 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.303 1.601 1.962 1.00 0.00 H new ATOM 742 N GLU A 49 -11.925 4.089 -0.375 1.00 0.00 N ATOM 743 CA GLU A 49 -11.900 5.524 -0.449 1.00 0.00 C ATOM 744 C GLU A 49 -12.937 6.025 0.530 1.00 0.00 C ATOM 745 O GLU A 49 -13.983 6.566 0.171 1.00 0.00 O ATOM 746 CB GLU A 49 -12.176 5.946 -1.873 1.00 0.00 C ATOM 747 CG GLU A 49 -11.621 7.306 -2.248 1.00 0.00 C ATOM 748 CD GLU A 49 -11.841 7.612 -3.713 1.00 0.00 C ATOM 749 OE1 GLU A 49 -11.219 6.934 -4.561 1.00 0.00 O ATOM 750 OE2 GLU A 49 -12.645 8.513 -4.027 1.00 0.00 O ATOM 0 H GLU A 49 -12.492 3.622 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.932 5.948 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.757 5.199 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.254 5.951 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.098 8.075 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.555 7.339 -2.025 1.00 0.00 H new ATOM 757 N ARG A 50 -12.540 5.861 1.782 1.00 0.00 N ATOM 758 CA ARG A 50 -13.382 5.961 2.970 1.00 0.00 C ATOM 759 C ARG A 50 -14.700 5.191 2.854 1.00 0.00 C ATOM 760 O ARG A 50 -14.912 4.228 3.588 1.00 0.00 O ATOM 761 CB ARG A 50 -13.595 7.404 3.386 1.00 0.00 C ATOM 762 CG ARG A 50 -12.288 8.101 3.704 1.00 0.00 C ATOM 763 CD ARG A 50 -12.470 9.154 4.779 1.00 0.00 C ATOM 764 NE ARG A 50 -13.519 10.113 4.437 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.851 11.162 5.186 1.00 0.00 C ATOM 766 NH1 ARG A 50 -13.201 11.418 6.317 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.841 11.956 4.799 1.00 0.00 N ATOM 0 H ARG A 50 -11.571 5.643 2.012 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.830 5.467 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.107 7.940 2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.246 7.437 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.553 7.366 4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.892 8.566 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.717 8.669 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.530 9.684 4.929 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.031 9.969 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.441 10.808 6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.463 12.224 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.342 11.761 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.101 12.762 5.368 1.00 0.00 H new ATOM 781 N GLY A 51 -15.570 5.585 1.944 1.00 0.00 N ATOM 782 CA GLY A 51 -16.856 4.930 1.838 1.00 0.00 C ATOM 783 C GLY A 51 -17.354 4.833 0.413 1.00 0.00 C ATOM 784 O GLY A 51 -18.482 5.228 0.117 1.00 0.00 O ATOM 0 H GLY A 51 -15.413 6.342 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.783 3.928 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.586 5.476 2.436 1.00 0.00 H new ATOM 788 N THR A 52 -16.529 4.296 -0.477 1.00 0.00 N ATOM 789 CA THR A 52 -16.918 4.159 -1.867 1.00 0.00 C ATOM 790 C THR A 52 -17.487 2.777 -2.151 1.00 0.00 C ATOM 791 O THR A 52 -17.265 1.830 -1.386 1.00 0.00 O ATOM 792 CB THR A 52 -15.715 4.405 -2.795 1.00 0.00 C ATOM 793 OG1 THR A 52 -14.552 3.733 -2.279 1.00 0.00 O ATOM 794 CG2 THR A 52 -15.439 5.892 -2.943 1.00 0.00 C ATOM 0 H THR A 52 -15.594 3.952 -0.260 1.00 0.00 H new ATOM 0 HA THR A 52 -17.689 4.905 -2.060 1.00 0.00 H new ATOM 0 HB THR A 52 -15.952 4.004 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.295 3.010 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.584 6.039 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.314 6.384 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.220 6.320 -1.965 1.00 0.00 H new ATOM 802 N LYS A 53 -18.235 2.675 -3.246 1.00 0.00 N ATOM 803 CA LYS A 53 -18.739 1.392 -3.714 1.00 0.00 C ATOM 804 C LYS A 53 -17.604 0.617 -4.351 1.00 0.00 C ATOM 805 O LYS A 53 -17.654 -0.605 -4.467 1.00 0.00 O ATOM 806 CB LYS A 53 -19.874 1.565 -4.733 1.00 0.00 C ATOM 807 CG LYS A 53 -21.204 2.007 -4.136 1.00 0.00 C ATOM 808 CD LYS A 53 -21.183 3.459 -3.692 1.00 0.00 C ATOM 809 CE LYS A 53 -22.531 3.889 -3.135 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.910 3.119 -1.921 1.00 0.00 N ATOM 0 H LYS A 53 -18.505 3.469 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 53 -19.139 0.850 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.565 2.297 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.022 0.620 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -21.995 1.866 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -21.446 1.372 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -20.413 3.598 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -20.917 4.095 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -22.500 4.952 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -23.297 3.758 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -23.735 3.565 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.147 2.143 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -22.113 3.110 -1.253 1.00 0.00 H new ATOM 824 N LYS A 54 -16.584 1.348 -4.769 1.00 0.00 N ATOM 825 CA LYS A 54 -15.408 0.752 -5.365 1.00 0.00 C ATOM 826 C LYS A 54 -14.284 0.683 -4.344 1.00 0.00 C ATOM 827 O LYS A 54 -13.757 1.709 -3.905 1.00 0.00 O ATOM 828 CB LYS A 54 -14.967 1.552 -6.591 1.00 0.00 C ATOM 829 CG LYS A 54 -16.100 1.808 -7.573 1.00 0.00 C ATOM 830 CD LYS A 54 -15.592 2.307 -8.915 1.00 0.00 C ATOM 831 CE LYS A 54 -14.656 1.303 -9.570 1.00 0.00 C ATOM 832 NZ LYS A 54 -14.307 1.695 -10.960 1.00 0.00 N ATOM 0 H LYS A 54 -16.551 2.365 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.653 -0.261 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.553 2.506 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.167 1.015 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.667 0.888 -7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.787 2.542 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.437 2.501 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.071 3.255 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.745 1.216 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.126 0.320 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.668 0.985 -11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.173 1.753 -11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.835 2.622 -10.951 1.00 0.00 H new ATOM 846 N VAL A 55 -13.948 -0.528 -3.947 1.00 0.00 N ATOM 847 CA VAL A 55 -12.864 -0.761 -3.015 1.00 0.00 C ATOM 848 C VAL A 55 -11.554 -0.862 -3.784 1.00 0.00 C ATOM 849 O VAL A 55 -11.465 -1.573 -4.782 1.00 0.00 O ATOM 850 CB VAL A 55 -13.103 -2.053 -2.200 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.931 -2.361 -1.281 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.383 -1.936 -1.392 1.00 0.00 C ATOM 0 H VAL A 55 -14.418 -1.377 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.816 0.073 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.198 -2.877 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.135 -3.276 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.027 -2.492 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.789 -1.536 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.539 -2.852 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.305 -1.092 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.225 -1.779 -2.066 1.00 0.00 H new ATOM 862 N HIS A 56 -10.541 -0.158 -3.318 1.00 0.00 N ATOM 863 CA HIS A 56 -9.273 -0.091 -4.016 1.00 0.00 C ATOM 864 C HIS A 56 -8.425 -1.294 -3.618 1.00 0.00 C ATOM 865 O HIS A 56 -8.400 -1.668 -2.456 1.00 0.00 O ATOM 866 CB HIS A 56 -8.579 1.236 -3.683 1.00 0.00 C ATOM 867 CG HIS A 56 -9.322 2.451 -4.187 1.00 0.00 C ATOM 868 ND1 HIS A 56 -9.093 3.003 -5.430 1.00 0.00 N ATOM 869 CD2 HIS A 56 -10.287 3.234 -3.610 1.00 0.00 C ATOM 870 CE1 HIS A 56 -9.869 4.057 -5.597 1.00 0.00 C ATOM 871 NE2 HIS A 56 -10.600 4.221 -4.514 1.00 0.00 N ATOM 0 H HIS A 56 -10.573 0.380 -2.452 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.423 -0.124 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.463 1.314 -2.602 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.577 1.230 -4.112 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.720 3.101 -2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.900 4.682 -6.477 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.287 4.961 -4.369 1.00 0.00 H new ATOM 880 N VAL A 57 -7.736 -1.904 -4.572 1.00 0.00 N ATOM 881 CA VAL A 57 -7.041 -3.165 -4.308 1.00 0.00 C ATOM 882 C VAL A 57 -5.605 -3.111 -4.799 1.00 0.00 C ATOM 883 O VAL A 57 -5.358 -2.961 -5.995 1.00 0.00 O ATOM 884 CB VAL A 57 -7.743 -4.370 -4.976 1.00 0.00 C ATOM 885 CG1 VAL A 57 -6.959 -5.654 -4.736 1.00 0.00 C ATOM 886 CG2 VAL A 57 -9.171 -4.516 -4.477 1.00 0.00 C ATOM 0 H VAL A 57 -7.641 -1.555 -5.526 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.060 -3.301 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.777 -4.183 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.472 -6.488 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.958 -5.553 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.885 -5.840 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.641 -5.371 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.165 -4.670 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.733 -3.612 -4.711 1.00 0.00 H new ATOM 896 N PHE A 58 -4.658 -3.234 -3.881 1.00 0.00 N ATOM 897 CA PHE A 58 -3.253 -3.244 -4.247 1.00 0.00 C ATOM 898 C PHE A 58 -2.557 -4.451 -3.617 1.00 0.00 C ATOM 899 O PHE A 58 -2.850 -4.813 -2.478 1.00 0.00 O ATOM 900 CB PHE A 58 -2.509 -1.976 -3.771 1.00 0.00 C ATOM 901 CG PHE A 58 -3.099 -0.637 -4.091 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.396 -0.308 -3.750 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.311 0.313 -4.709 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.901 0.944 -4.029 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.805 1.569 -4.986 1.00 0.00 C ATOM 906 CZ PHE A 58 -4.103 1.887 -4.649 1.00 0.00 C ATOM 0 H PHE A 58 -4.838 -3.328 -2.881 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.218 -3.287 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.403 -2.041 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.504 -2.004 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.021 -1.039 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.294 0.069 -4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.919 1.188 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.176 2.304 -5.467 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.495 2.869 -4.868 1.00 0.00 H new ATOM 916 N LYS A 59 -1.662 -5.094 -4.359 1.00 0.00 N ATOM 917 CA LYS A 59 -0.691 -5.985 -3.732 1.00 0.00 C ATOM 918 C LYS A 59 0.296 -5.149 -2.954 1.00 0.00 C ATOM 919 O LYS A 59 0.434 -3.971 -3.225 1.00 0.00 O ATOM 920 CB LYS A 59 0.072 -6.823 -4.756 1.00 0.00 C ATOM 921 CG LYS A 59 -0.744 -7.942 -5.364 1.00 0.00 C ATOM 922 CD LYS A 59 0.129 -9.141 -5.685 1.00 0.00 C ATOM 923 CE LYS A 59 -0.693 -10.413 -5.780 1.00 0.00 C ATOM 924 NZ LYS A 59 -1.360 -10.565 -7.103 1.00 0.00 N ATOM 0 H LYS A 59 -1.588 -5.019 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.234 -6.670 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.426 -6.170 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.954 -7.249 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.534 -8.237 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.231 -7.589 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.651 -8.972 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.891 -9.255 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.047 -11.273 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.448 -10.413 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.632 -11.559 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.210 -9.966 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.705 -10.276 -7.857 1.00 0.00 H new ATOM 938 N ALA A 60 1.010 -5.754 -2.027 1.00 0.00 N ATOM 939 CA ALA A 60 1.843 -4.998 -1.111 1.00 0.00 C ATOM 940 C ALA A 60 3.008 -5.852 -0.615 1.00 0.00 C ATOM 941 O ALA A 60 2.847 -7.053 -0.385 1.00 0.00 O ATOM 942 CB ALA A 60 1.010 -4.505 0.056 1.00 0.00 C ATOM 0 H ALA A 60 1.031 -6.764 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 60 2.254 -4.137 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.642 -3.938 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.209 -3.865 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.580 -5.357 0.582 1.00 0.00 H new ATOM 948 N TRP A 61 4.175 -5.244 -0.453 1.00 0.00 N ATOM 949 CA TRP A 61 5.366 -5.976 -0.040 1.00 0.00 C ATOM 950 C TRP A 61 6.429 -5.018 0.494 1.00 0.00 C ATOM 951 O TRP A 61 6.124 -3.880 0.803 1.00 0.00 O ATOM 952 CB TRP A 61 5.900 -6.808 -1.219 1.00 0.00 C ATOM 953 CG TRP A 61 6.468 -6.023 -2.371 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.780 -5.694 -2.566 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.753 -5.504 -3.505 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.924 -5.003 -3.742 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.696 -4.870 -4.335 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.410 -5.506 -3.897 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.342 -4.252 -5.532 1.00 0.00 C ATOM 960 CZ3 TRP A 61 4.060 -4.892 -5.085 1.00 0.00 C ATOM 961 CH2 TRP A 61 5.023 -4.272 -5.889 1.00 0.00 C ATOM 0 H TRP A 61 4.323 -4.246 -0.601 1.00 0.00 H new ATOM 0 HA TRP A 61 5.105 -6.657 0.770 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.673 -7.479 -0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.090 -7.433 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.586 -5.942 -1.892 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.804 -4.646 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.659 -5.979 -3.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.083 -3.774 -6.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.026 -4.891 -5.398 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.717 -3.799 -6.811 1.00 0.00 H new ATOM 972 N LYS A 62 7.654 -5.500 0.656 1.00 0.00 N ATOM 973 CA LYS A 62 8.787 -4.652 1.036 1.00 0.00 C ATOM 974 C LYS A 62 10.035 -5.128 0.320 1.00 0.00 C ATOM 975 O LYS A 62 10.282 -6.332 0.227 1.00 0.00 O ATOM 976 CB LYS A 62 9.041 -4.677 2.549 1.00 0.00 C ATOM 977 CG LYS A 62 7.924 -4.089 3.395 1.00 0.00 C ATOM 978 CD LYS A 62 8.396 -3.842 4.814 1.00 0.00 C ATOM 979 CE LYS A 62 7.251 -3.462 5.733 1.00 0.00 C ATOM 980 NZ LYS A 62 7.716 -3.257 7.131 1.00 0.00 N ATOM 0 H LYS A 62 7.894 -6.483 0.530 1.00 0.00 H new ATOM 0 HA LYS A 62 8.544 -3.629 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.206 -5.709 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.961 -4.131 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.581 -3.153 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.072 -4.769 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.885 -4.738 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.142 -3.047 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.779 -2.550 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.492 -4.244 5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.907 -2.998 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.144 -4.135 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.422 -2.494 7.154 1.00 0.00 H new ATOM 994 N GLU A 63 10.801 -4.183 -0.192 1.00 0.00 N ATOM 995 CA GLU A 63 12.044 -4.479 -0.886 1.00 0.00 C ATOM 996 C GLU A 63 13.057 -3.390 -0.618 1.00 0.00 C ATOM 997 O GLU A 63 12.725 -2.350 -0.061 1.00 0.00 O ATOM 998 CB GLU A 63 11.828 -4.564 -2.392 1.00 0.00 C ATOM 999 CG GLU A 63 11.180 -5.845 -2.841 1.00 0.00 C ATOM 1000 CD GLU A 63 12.160 -6.989 -2.974 1.00 0.00 C ATOM 1001 OE1 GLU A 63 13.227 -6.793 -3.586 1.00 0.00 O ATOM 1002 OE2 GLU A 63 11.869 -8.091 -2.470 1.00 0.00 O ATOM 0 H GLU A 63 10.581 -3.188 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 63 12.405 -5.439 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.209 -3.724 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.790 -4.459 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.402 -6.121 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.690 -5.681 -3.801 1.00 0.00 H new ATOM 1009 N ILE A 64 14.279 -3.623 -1.043 1.00 0.00 N ATOM 1010 CA ILE A 64 15.305 -2.589 -1.002 1.00 0.00 C ATOM 1011 C ILE A 64 15.672 -2.227 -2.431 1.00 0.00 C ATOM 1012 O ILE A 64 16.713 -2.615 -2.961 1.00 0.00 O ATOM 1013 CB ILE A 64 16.563 -3.030 -0.245 1.00 0.00 C ATOM 1014 CG1 ILE A 64 16.216 -3.611 1.125 1.00 0.00 C ATOM 1015 CG2 ILE A 64 17.535 -1.869 -0.094 1.00 0.00 C ATOM 1016 CD1 ILE A 64 15.890 -5.092 1.112 1.00 0.00 C ATOM 0 H ILE A 64 14.592 -4.517 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 64 14.900 -1.731 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 64 17.041 -3.814 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 64 17.054 -3.442 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.363 -3.067 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 64 18.421 -2.204 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.826 -1.508 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.055 -1.063 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 64 15.656 -5.422 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 64 15.031 -5.270 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 64 16.748 -5.650 0.738 1.00 0.00 H new ATOM 1028 N VAL A 65 14.768 -1.499 -3.043 1.00 0.00 N ATOM 1029 CA VAL A 65 14.857 -1.201 -4.472 1.00 0.00 C ATOM 1030 C VAL A 65 15.714 0.015 -4.818 1.00 0.00 C ATOM 1031 O VAL A 65 16.505 0.508 -4.011 1.00 0.00 O ATOM 1032 CB VAL A 65 13.450 -1.032 -5.086 1.00 0.00 C ATOM 1033 CG1 VAL A 65 12.677 -2.336 -5.007 1.00 0.00 C ATOM 1034 CG2 VAL A 65 12.688 0.083 -4.394 1.00 0.00 C ATOM 0 H VAL A 65 13.954 -1.095 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 65 15.362 -2.064 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 65 13.566 -0.761 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.688 -2.200 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.213 -3.110 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 65 12.575 -2.636 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.700 0.183 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.582 -0.152 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.234 1.020 -4.505 1.00 0.00 H new ATOM 1044 N ASP A 66 15.577 0.424 -6.069 1.00 0.00 N ATOM 1045 CA ASP A 66 16.424 1.449 -6.664 1.00 0.00 C ATOM 1046 C ASP A 66 15.601 2.511 -7.391 1.00 0.00 C ATOM 1047 O ASP A 66 14.779 2.191 -8.248 1.00 0.00 O ATOM 1048 CB ASP A 66 17.418 0.794 -7.621 1.00 0.00 C ATOM 1049 CG ASP A 66 18.182 1.795 -8.465 1.00 0.00 C ATOM 1050 OD1 ASP A 66 19.073 2.484 -7.922 1.00 0.00 O ATOM 1051 OD2 ASP A 66 17.909 1.876 -9.682 1.00 0.00 O ATOM 0 H ASP A 66 14.871 0.053 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 66 16.965 1.953 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.126 0.197 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.882 0.108 -8.278 1.00 0.00 H new ATOM 1056 N ALA A 67 15.805 3.773 -7.020 1.00 0.00 N ATOM 1057 CA ALA A 67 15.147 4.889 -7.689 1.00 0.00 C ATOM 1058 C ALA A 67 16.166 5.846 -8.286 1.00 0.00 C ATOM 1059 O ALA A 67 17.207 6.122 -7.681 1.00 0.00 O ATOM 1060 CB ALA A 67 14.257 5.647 -6.724 1.00 0.00 C ATOM 0 H ALA A 67 16.423 4.047 -6.257 1.00 0.00 H new ATOM 0 HA ALA A 67 14.537 4.473 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.777 6.475 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.494 4.976 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 67 14.859 6.036 -5.903 1.00 0.00 H new ATOM 1066 N PRO A 68 15.862 6.370 -9.478 1.00 0.00 N ATOM 1067 CA PRO A 68 16.718 7.328 -10.180 1.00 0.00 C ATOM 1068 C PRO A 68 16.564 8.764 -9.680 1.00 0.00 C ATOM 1069 O PRO A 68 15.992 9.020 -8.620 1.00 0.00 O ATOM 1070 CB PRO A 68 16.225 7.214 -11.618 1.00 0.00 C ATOM 1071 CG PRO A 68 14.778 6.895 -11.488 1.00 0.00 C ATOM 1072 CD PRO A 68 14.652 6.043 -10.255 1.00 0.00 C ATOM 0 HA PRO A 68 17.776 7.107 -10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.379 8.143 -12.166 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.757 6.432 -12.160 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.184 7.805 -11.396 1.00 0.00 H new ATOM 0 HG3 PRO A 68 14.415 6.364 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.744 6.276 -9.699 1.00 0.00 H new ATOM 0 HD3 PRO A 68 14.610 4.983 -10.504 1.00 0.00 H new ATOM 1080 N LYS A 69 17.093 9.683 -10.484 1.00 0.00 N ATOM 1081 CA LYS A 69 17.320 11.086 -10.109 1.00 0.00 C ATOM 1082 C LYS A 69 16.102 11.802 -9.522 1.00 0.00 C ATOM 1083 O LYS A 69 16.263 12.814 -8.835 1.00 0.00 O ATOM 1084 CB LYS A 69 17.815 11.872 -11.324 1.00 0.00 C ATOM 1085 CG LYS A 69 19.023 11.252 -11.999 1.00 0.00 C ATOM 1086 CD LYS A 69 20.136 10.987 -11.004 1.00 0.00 C ATOM 1087 CE LYS A 69 21.391 10.472 -11.687 1.00 0.00 C ATOM 1088 NZ LYS A 69 21.141 9.216 -12.439 1.00 0.00 N ATOM 0 H LYS A 69 17.385 9.473 -11.439 1.00 0.00 H new ATOM 0 HA LYS A 69 18.067 11.053 -9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.005 11.951 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.064 12.886 -11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.733 10.318 -12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.385 11.917 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.367 11.905 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.799 10.259 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.771 11.233 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 69 22.165 10.299 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 22.046 8.818 -12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.662 8.531 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.540 9.419 -13.263 1.00 0.00 H new ATOM 1102 N ASN A 70 14.901 11.288 -9.760 1.00 0.00 N ATOM 1103 CA ASN A 70 13.682 11.976 -9.333 1.00 0.00 C ATOM 1104 C ASN A 70 13.391 11.698 -7.859 1.00 0.00 C ATOM 1105 O ASN A 70 12.346 12.066 -7.328 1.00 0.00 O ATOM 1106 CB ASN A 70 12.496 11.547 -10.206 1.00 0.00 C ATOM 1107 CG ASN A 70 11.261 12.421 -10.020 1.00 0.00 C ATOM 1108 OD1 ASN A 70 11.464 13.715 -9.812 1.00 0.00 O flip ATOM 1109 ND2 ASN A 70 10.131 11.937 -10.092 1.00 0.00 N flip ATOM 0 H ASN A 70 14.742 10.404 -10.243 1.00 0.00 H new ATOM 0 HA ASN A 70 13.832 13.049 -9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.797 11.574 -11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.239 10.513 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.014 10.937 -10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.312 12.536 -9.991 1.00 0.00 H new ATOM 1116 N ARG A 71 14.332 11.043 -7.210 1.00 0.00 N ATOM 1117 CA ARG A 71 14.236 10.763 -5.784 1.00 0.00 C ATOM 1118 C ARG A 71 14.664 11.989 -4.971 1.00 0.00 C ATOM 1119 O ARG A 71 15.303 12.901 -5.502 1.00 0.00 O ATOM 1120 CB ARG A 71 15.139 9.579 -5.427 1.00 0.00 C ATOM 1121 CG ARG A 71 16.596 9.972 -5.268 1.00 0.00 C ATOM 1122 CD ARG A 71 17.456 8.793 -4.865 1.00 0.00 C ATOM 1123 NE ARG A 71 18.731 9.224 -4.300 1.00 0.00 N ATOM 1124 CZ ARG A 71 19.918 8.871 -4.782 1.00 0.00 C ATOM 1125 NH1 ARG A 71 20.001 8.076 -5.843 1.00 0.00 N ATOM 1126 NH2 ARG A 71 21.028 9.308 -4.199 1.00 0.00 N ATOM 0 H ARG A 71 15.182 10.690 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 71 13.200 10.520 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.787 9.127 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.056 8.819 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.965 10.387 -6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.681 10.757 -4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.921 8.185 -4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 71 17.638 8.161 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 71 18.709 9.835 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.151 7.734 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.914 7.808 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.970 9.915 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 71 21.939 9.037 -4.569 1.00 0.00 H new ATOM 1140 N PRO A 72 14.315 12.026 -3.676 1.00 0.00 N ATOM 1141 CA PRO A 72 14.791 13.067 -2.767 1.00 0.00 C ATOM 1142 C PRO A 72 16.273 12.959 -2.508 1.00 0.00 C ATOM 1143 O PRO A 72 16.904 11.942 -2.796 1.00 0.00 O ATOM 1144 CB PRO A 72 14.070 12.803 -1.462 1.00 0.00 C ATOM 1145 CG PRO A 72 13.006 11.802 -1.759 1.00 0.00 C ATOM 1146 CD PRO A 72 13.426 11.073 -3.001 1.00 0.00 C ATOM 0 HA PRO A 72 14.605 14.054 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.760 12.423 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.638 13.722 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.885 11.109 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.044 12.293 -1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.941 10.142 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.569 10.814 -3.623 1.00 0.00 H new ATOM 1154 N ALA A 73 16.823 14.008 -1.941 1.00 0.00 N ATOM 1155 CA ALA A 73 18.229 14.032 -1.650 1.00 0.00 C ATOM 1156 C ALA A 73 18.520 13.509 -0.253 1.00 0.00 C ATOM 1157 O ALA A 73 19.638 13.081 0.042 1.00 0.00 O ATOM 1158 CB ALA A 73 18.767 15.432 -1.842 1.00 0.00 C ATOM 0 H ALA A 73 16.316 14.852 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 73 18.739 13.365 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.834 15.445 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.607 15.745 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.248 16.116 -1.171 1.00 0.00 H new ATOM 1164 N TRP A 74 17.515 13.561 0.610 1.00 0.00 N ATOM 1165 CA TRP A 74 17.647 13.023 1.956 1.00 0.00 C ATOM 1166 C TRP A 74 17.613 11.500 1.925 1.00 0.00 C ATOM 1167 O TRP A 74 18.213 10.837 2.771 1.00 0.00 O ATOM 1168 CB TRP A 74 16.538 13.557 2.879 1.00 0.00 C ATOM 1169 CG TRP A 74 15.151 13.197 2.441 1.00 0.00 C ATOM 1170 CD1 TRP A 74 14.285 13.986 1.743 1.00 0.00 C ATOM 1171 CD2 TRP A 74 14.467 11.956 2.670 1.00 0.00 C ATOM 1172 NE1 TRP A 74 13.110 13.313 1.521 1.00 0.00 N ATOM 1173 CE2 TRP A 74 13.201 12.068 2.078 1.00 0.00 C ATOM 1174 CE3 TRP A 74 14.804 10.758 3.316 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 12.274 11.038 2.103 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 13.879 9.736 3.338 1.00 0.00 C ATOM 1177 CH2 TRP A 74 12.631 9.883 2.738 1.00 0.00 C ATOM 0 H TRP A 74 16.603 13.968 0.403 1.00 0.00 H new ATOM 0 HA TRP A 74 18.608 13.349 2.354 1.00 0.00 H new ATOM 0 HB2 TRP A 74 16.701 13.172 3.886 1.00 0.00 H new ATOM 0 HB3 TRP A 74 16.619 14.642 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 74 14.493 14.993 1.413 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.301 13.682 1.022 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.769 10.638 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.305 11.145 1.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 14.126 8.806 3.829 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.928 9.064 2.776 1.00 0.00 H new ATOM 1188 N MET A 75 16.910 10.945 0.943 1.00 0.00 N ATOM 1189 CA MET A 75 16.743 9.510 0.861 1.00 0.00 C ATOM 1190 C MET A 75 17.720 8.919 -0.142 1.00 0.00 C ATOM 1191 O MET A 75 18.066 9.561 -1.139 1.00 0.00 O ATOM 1192 CB MET A 75 15.311 9.166 0.455 1.00 0.00 C ATOM 1193 CG MET A 75 14.936 7.714 0.723 1.00 0.00 C ATOM 1194 SD MET A 75 13.170 7.412 0.541 1.00 0.00 S ATOM 1195 CE MET A 75 12.886 8.220 -1.022 1.00 0.00 C ATOM 0 H MET A 75 16.451 11.470 0.199 1.00 0.00 H new ATOM 0 HA MET A 75 16.945 9.083 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 75 14.623 9.816 0.995 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.182 9.376 -0.607 1.00 0.00 H new ATOM 0 HG2 MET A 75 15.484 7.068 0.037 1.00 0.00 H new ATOM 0 HG3 MET A 75 15.245 7.443 1.732 1.00 0.00 H new ATOM 0 HE1 MET A 75 12.068 7.725 -1.544 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.627 9.265 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.790 8.166 -1.629 1.00 0.00 H new ATOM 1205 N PRO A 76 18.201 7.701 0.129 1.00 0.00 N ATOM 1206 CA PRO A 76 18.941 6.914 -0.855 1.00 0.00 C ATOM 1207 C PRO A 76 18.049 6.603 -2.053 1.00 0.00 C ATOM 1208 O PRO A 76 16.871 6.969 -2.047 1.00 0.00 O ATOM 1209 CB PRO A 76 19.303 5.626 -0.101 1.00 0.00 C ATOM 1210 CG PRO A 76 19.150 5.961 1.345 1.00 0.00 C ATOM 1211 CD PRO A 76 18.071 7.002 1.415 1.00 0.00 C ATOM 0 HA PRO A 76 19.818 7.431 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.645 4.805 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 20.322 5.311 -0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 76 18.879 5.078 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.085 6.339 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.085 6.553 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 76 18.216 7.678 2.258 1.00 0.00 H new ATOM 1219 N GLU A 77 18.615 5.965 -3.084 1.00 0.00 N ATOM 1220 CA GLU A 77 17.860 5.556 -4.261 1.00 0.00 C ATOM 1221 C GLU A 77 16.529 5.015 -3.811 1.00 0.00 C ATOM 1222 O GLU A 77 15.483 5.588 -4.094 1.00 0.00 O ATOM 1223 CB GLU A 77 18.615 4.483 -5.063 1.00 0.00 C ATOM 1224 CG GLU A 77 20.104 4.752 -5.239 1.00 0.00 C ATOM 1225 CD GLU A 77 20.906 4.426 -3.998 1.00 0.00 C ATOM 1226 OE1 GLU A 77 21.119 3.229 -3.721 1.00 0.00 O ATOM 1227 OE2 GLU A 77 21.309 5.362 -3.282 1.00 0.00 O ATOM 0 H GLU A 77 19.605 5.721 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 77 17.721 6.419 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 77 18.489 3.521 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.156 4.395 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 77 20.480 4.162 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 77 20.252 5.801 -5.497 1.00 0.00 H new ATOM 1234 N LYS A 78 16.597 3.945 -3.058 1.00 0.00 N ATOM 1235 CA LYS A 78 15.450 3.407 -2.378 1.00 0.00 C ATOM 1236 C LYS A 78 15.880 2.680 -1.128 1.00 0.00 C ATOM 1237 O LYS A 78 17.054 2.672 -0.749 1.00 0.00 O ATOM 1238 CB LYS A 78 14.622 2.486 -3.259 1.00 0.00 C ATOM 1239 CG LYS A 78 13.800 3.198 -4.309 1.00 0.00 C ATOM 1240 CD LYS A 78 12.712 4.056 -3.687 1.00 0.00 C ATOM 1241 CE LYS A 78 11.685 4.481 -4.723 1.00 0.00 C ATOM 1242 NZ LYS A 78 10.752 5.510 -4.197 1.00 0.00 N ATOM 0 H LYS A 78 17.458 3.421 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 78 14.814 4.251 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.289 1.781 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.954 1.902 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.452 3.823 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.347 2.464 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.219 3.500 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.159 4.939 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.198 4.873 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.117 3.609 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.069 5.770 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.243 5.129 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.290 6.353 -3.911 1.00 0.00 H new ATOM 1256 N ILE A 79 14.902 2.060 -0.529 1.00 0.00 N ATOM 1257 CA ILE A 79 14.955 1.648 0.857 1.00 0.00 C ATOM 1258 C ILE A 79 13.911 0.590 1.135 1.00 0.00 C ATOM 1259 O ILE A 79 12.962 0.435 0.362 1.00 0.00 O ATOM 1260 CB ILE A 79 14.736 2.861 1.798 1.00 0.00 C ATOM 1261 CG1 ILE A 79 13.948 4.002 1.110 1.00 0.00 C ATOM 1262 CG2 ILE A 79 16.085 3.388 2.268 1.00 0.00 C ATOM 1263 CD1 ILE A 79 12.651 3.592 0.433 1.00 0.00 C ATOM 0 H ILE A 79 14.027 1.820 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 79 15.943 1.230 1.047 1.00 0.00 H new ATOM 0 HB ILE A 79 14.144 2.517 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.722 4.764 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.594 4.467 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.932 4.241 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.615 2.602 2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.675 3.699 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.182 4.468 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.862 2.856 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.977 3.158 1.171 1.00 0.00 H new ATOM 1275 N SER A 80 14.105 -0.142 2.222 1.00 0.00 N ATOM 1276 CA SER A 80 13.209 -1.238 2.546 1.00 0.00 C ATOM 1277 C SER A 80 11.876 -0.691 3.045 1.00 0.00 C ATOM 1278 O SER A 80 11.612 -0.622 4.248 1.00 0.00 O ATOM 1279 CB SER A 80 13.854 -2.100 3.625 1.00 0.00 C ATOM 1280 OG SER A 80 15.269 -2.042 3.537 1.00 0.00 O ATOM 0 H SER A 80 14.866 0.001 2.886 1.00 0.00 H new ATOM 0 HA SER A 80 13.027 -1.839 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.532 -1.760 4.609 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.521 -3.132 3.520 1.00 0.00 H new ATOM 0 HG SER A 80 15.664 -2.600 4.239 1.00 0.00 H new ATOM 1286 N LYS A 81 11.057 -0.290 2.089 1.00 0.00 N ATOM 1287 CA LYS A 81 9.735 0.207 2.389 1.00 0.00 C ATOM 1288 C LYS A 81 8.627 -0.690 1.889 1.00 0.00 C ATOM 1289 O LYS A 81 8.836 -1.556 1.039 1.00 0.00 O ATOM 1290 CB LYS A 81 9.608 1.588 1.755 1.00 0.00 C ATOM 1291 CG LYS A 81 10.299 2.678 2.552 1.00 0.00 C ATOM 1292 CD LYS A 81 9.616 2.897 3.885 1.00 0.00 C ATOM 1293 CE LYS A 81 10.315 3.964 4.705 1.00 0.00 C ATOM 1294 NZ LYS A 81 9.604 4.220 5.983 1.00 0.00 N ATOM 0 H LYS A 81 11.290 -0.301 1.096 1.00 0.00 H new ATOM 0 HA LYS A 81 9.623 0.244 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.029 1.559 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.552 1.837 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.342 2.407 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.296 3.607 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.579 3.187 3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.600 1.961 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.339 3.652 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.374 4.887 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.108 4.955 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.635 4.541 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.570 3.344 6.543 1.00 0.00 H new ATOM 1308 N PRO A 82 7.427 -0.483 2.452 1.00 0.00 N ATOM 1309 CA PRO A 82 6.211 -1.109 1.971 1.00 0.00 C ATOM 1310 C PRO A 82 5.905 -0.676 0.552 1.00 0.00 C ATOM 1311 O PRO A 82 5.723 0.505 0.270 1.00 0.00 O ATOM 1312 CB PRO A 82 5.127 -0.621 2.933 1.00 0.00 C ATOM 1313 CG PRO A 82 5.693 0.600 3.556 1.00 0.00 C ATOM 1314 CD PRO A 82 7.175 0.388 3.606 1.00 0.00 C ATOM 0 HA PRO A 82 6.287 -2.196 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.199 -0.401 2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.895 -1.377 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.445 1.487 2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.287 0.752 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.719 1.329 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.484 -0.081 4.540 1.00 0.00 H new ATOM 1322 N PHE A 83 5.872 -1.636 -0.335 1.00 0.00 N ATOM 1323 CA PHE A 83 5.563 -1.393 -1.712 1.00 0.00 C ATOM 1324 C PHE A 83 4.200 -1.925 -1.986 1.00 0.00 C ATOM 1325 O PHE A 83 3.593 -2.556 -1.122 1.00 0.00 O ATOM 1326 CB PHE A 83 6.612 -2.019 -2.610 1.00 0.00 C ATOM 1327 CG PHE A 83 7.948 -1.417 -2.365 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.045 -0.071 -2.093 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.087 -2.186 -2.366 1.00 0.00 C ATOM 1330 CE1 PHE A 83 9.266 0.511 -1.823 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.312 -1.622 -2.100 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.406 -0.269 -1.823 1.00 0.00 C ATOM 0 H PHE A 83 6.061 -2.614 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 83 5.572 -0.324 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.655 -3.093 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.332 -1.880 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.153 0.538 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.019 -3.243 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.330 1.568 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.201 -2.235 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.367 0.175 -1.608 1.00 0.00 H new ATOM 1342 N VAL A 84 3.724 -1.718 -3.189 1.00 0.00 N ATOM 1343 CA VAL A 84 2.291 -1.841 -3.449 1.00 0.00 C ATOM 1344 C VAL A 84 2.072 -1.906 -4.960 1.00 0.00 C ATOM 1345 O VAL A 84 3.013 -1.715 -5.734 1.00 0.00 O ATOM 1346 CB VAL A 84 1.409 -0.698 -2.842 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.110 -1.258 -2.351 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.075 0.041 -1.699 1.00 0.00 C ATOM 0 H VAL A 84 4.289 -1.467 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 84 1.967 -2.753 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 84 1.252 0.018 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.496 -0.456 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.424 -1.720 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.304 -2.007 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.406 0.818 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.298 -0.659 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.001 0.497 -2.051 1.00 0.00 H new ATOM 1358 N LYS A 85 0.833 -2.150 -5.367 1.00 0.00 N ATOM 1359 CA LYS A 85 0.497 -2.318 -6.776 1.00 0.00 C ATOM 1360 C LYS A 85 -0.996 -2.600 -6.942 1.00 0.00 C ATOM 1361 O LYS A 85 -1.440 -3.734 -6.750 1.00 0.00 O ATOM 1362 CB LYS A 85 1.323 -3.485 -7.355 1.00 0.00 C ATOM 1363 CG LYS A 85 1.378 -3.571 -8.878 1.00 0.00 C ATOM 1364 CD LYS A 85 0.086 -4.104 -9.484 1.00 0.00 C ATOM 1365 CE LYS A 85 0.332 -5.326 -10.360 1.00 0.00 C ATOM 1366 NZ LYS A 85 0.644 -6.537 -9.553 1.00 0.00 N ATOM 0 H LYS A 85 0.037 -2.237 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 85 0.732 -1.399 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.343 -3.405 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.913 -4.420 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.585 -2.582 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.206 -4.217 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.610 -4.363 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.387 -3.321 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.549 -5.516 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.157 -5.123 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.804 -7.345 -10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.500 -6.366 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.154 -6.747 -8.920 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.778 -1.579 -7.291 1.00 0.00 N ATOM 1381 CA LYS A 86 -3.171 -1.793 -7.659 1.00 0.00 C ATOM 1382 C LYS A 86 -3.310 -2.534 -8.983 1.00 0.00 C ATOM 1383 O LYS A 86 -3.093 -1.978 -10.060 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.924 -0.463 -7.693 1.00 0.00 C ATOM 1385 CG LYS A 86 -5.303 -0.571 -8.310 1.00 0.00 C ATOM 1386 CD LYS A 86 -6.300 0.334 -7.613 1.00 0.00 C ATOM 1387 CE LYS A 86 -5.963 1.807 -7.784 1.00 0.00 C ATOM 1388 NZ LYS A 86 -5.933 2.216 -9.214 1.00 0.00 N ATOM 0 H LYS A 86 -1.472 -0.607 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.617 -2.429 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.017 -0.080 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.338 0.264 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.251 -0.309 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.647 -1.604 -8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.298 0.144 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.327 0.091 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.698 2.410 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.994 2.011 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.920 3.254 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.080 1.830 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.778 1.850 -9.697 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.639 -3.806 -8.869 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.858 -4.658 -10.030 1.00 0.00 C ATOM 1404 C GLU A 87 -5.340 -4.954 -10.251 1.00 0.00 C ATOM 1405 O GLU A 87 -5.697 -5.682 -11.177 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.081 -5.960 -9.871 1.00 0.00 C ATOM 1407 CG GLU A 87 -3.465 -6.760 -8.645 1.00 0.00 C ATOM 1408 CD GLU A 87 -2.599 -7.983 -8.473 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -1.358 -7.834 -8.442 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -3.149 -9.094 -8.366 1.00 0.00 O ATOM 0 H GLU A 87 -3.763 -4.280 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.498 -4.121 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.237 -6.575 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.016 -5.732 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.381 -6.129 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.509 -7.063 -8.723 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.199 -4.381 -9.416 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.636 -4.613 -9.533 1.00 0.00 C ATOM 1419 C ARG A 88 -8.423 -3.758 -8.557 1.00 0.00 C ATOM 1420 O ARG A 88 -7.855 -3.034 -7.739 1.00 0.00 O ATOM 1421 CB ARG A 88 -7.988 -6.089 -9.312 1.00 0.00 C ATOM 1422 CG ARG A 88 -7.618 -6.621 -7.941 1.00 0.00 C ATOM 1423 CD ARG A 88 -8.353 -7.917 -7.646 1.00 0.00 C ATOM 1424 NE ARG A 88 -9.806 -7.734 -7.697 1.00 0.00 N ATOM 1425 CZ ARG A 88 -10.688 -8.599 -7.199 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -10.274 -9.701 -6.590 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -11.989 -8.353 -7.308 1.00 0.00 N ATOM 0 H ARG A 88 -5.930 -3.757 -8.656 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.912 -4.332 -10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.059 -6.221 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.483 -6.688 -10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.542 -6.789 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.862 -5.879 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.055 -8.678 -8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.066 -8.283 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.165 -6.890 -8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.276 -9.890 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.954 -10.360 -6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.310 -7.503 -7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.667 -9.014 -6.928 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.738 -3.851 -8.674 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.664 -3.140 -7.812 1.00 0.00 C ATOM 1443 C ILE A 89 -11.741 -4.101 -7.316 1.00 0.00 C ATOM 1444 O ILE A 89 -12.123 -5.033 -8.032 1.00 0.00 O ATOM 1445 CB ILE A 89 -11.312 -1.956 -8.578 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -10.286 -0.848 -8.813 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -12.524 -1.398 -7.845 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -9.727 -0.271 -7.533 1.00 0.00 C ATOM 0 H ILE A 89 -10.196 -4.429 -9.379 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.120 -2.740 -6.957 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.654 -2.340 -9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.467 -1.242 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.750 -0.049 -9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.946 -0.571 -8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.274 -2.181 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.221 -1.041 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.005 0.510 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.538 0.153 -6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.235 -1.059 -6.963 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.204 -3.901 -6.090 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.296 -4.687 -5.545 1.00 0.00 C ATOM 1462 C GLU A 90 -14.504 -3.799 -5.322 1.00 0.00 C ATOM 1463 O GLU A 90 -14.455 -2.595 -5.561 1.00 0.00 O ATOM 1464 CB GLU A 90 -12.906 -5.361 -4.231 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.266 -6.722 -4.419 1.00 0.00 C ATOM 1466 CD GLU A 90 -12.405 -7.602 -3.191 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -13.511 -7.654 -2.616 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -11.419 -8.262 -2.802 1.00 0.00 O ATOM 0 H GLU A 90 -11.836 -3.195 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.536 -5.469 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.215 -4.714 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.794 -5.468 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.724 -7.221 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.209 -6.594 -4.653 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.587 -4.393 -4.874 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.789 -3.642 -4.589 1.00 0.00 C ATOM 1477 C LYS A 91 -17.021 -3.613 -3.093 1.00 0.00 C ATOM 1478 O LYS A 91 -16.427 -4.396 -2.348 1.00 0.00 O ATOM 1479 CB LYS A 91 -18.009 -4.271 -5.255 1.00 0.00 C ATOM 1480 CG LYS A 91 -17.683 -5.218 -6.400 1.00 0.00 C ATOM 1481 CD LYS A 91 -18.920 -5.970 -6.861 1.00 0.00 C ATOM 1482 CE LYS A 91 -19.542 -6.762 -5.719 1.00 0.00 C ATOM 1483 NZ LYS A 91 -20.738 -7.531 -6.152 1.00 0.00 N ATOM 0 H LYS A 91 -15.660 -5.395 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.655 -2.634 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.579 -4.815 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.653 -3.476 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.265 -4.654 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.920 -5.928 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.650 -5.265 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.656 -6.646 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.801 -7.448 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.822 -6.079 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -21.127 -8.054 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.458 -6.876 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.468 -8.202 -6.899 1.00 0.00 H new ATOM 1497 N LEU A 92 -17.858 -2.694 -2.659 1.00 0.00 N ATOM 1498 CA LEU A 92 -18.281 -2.651 -1.268 1.00 0.00 C ATOM 1499 C LEU A 92 -18.983 -3.951 -0.887 1.00 0.00 C ATOM 1500 O LEU A 92 -19.445 -4.693 -1.761 1.00 0.00 O ATOM 1501 CB LEU A 92 -19.145 -1.401 -0.967 1.00 0.00 C ATOM 1502 CG LEU A 92 -20.578 -1.364 -1.521 1.00 0.00 C ATOM 1503 CD1 LEU A 92 -20.624 -1.808 -2.969 1.00 0.00 C ATOM 1504 CD2 LEU A 92 -21.505 -2.201 -0.660 1.00 0.00 C ATOM 0 H LEU A 92 -18.261 -1.965 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 92 -17.393 -2.560 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -19.203 -1.288 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -18.616 -0.529 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 92 -20.924 -0.331 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -21.652 -1.770 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -20.003 -1.146 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.249 -2.829 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -22.515 -2.162 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -21.157 -3.234 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -21.510 -1.809 0.357 1.00 0.00 H new ATOM 1516 N GLU A 93 -19.032 -4.206 0.417 1.00 0.00 N ATOM 1517 CA GLU A 93 -19.577 -5.436 0.966 1.00 0.00 C ATOM 1518 C GLU A 93 -18.600 -6.589 0.745 1.00 0.00 C ATOM 1519 O GLU A 93 -17.734 -6.794 1.623 1.00 0.00 O ATOM 1520 CB GLU A 93 -20.943 -5.719 0.351 1.00 0.00 C ATOM 1521 CG GLU A 93 -21.557 -7.047 0.748 1.00 0.00 C ATOM 1522 CD GLU A 93 -22.811 -7.360 -0.042 1.00 0.00 C ATOM 1523 OE1 GLU A 93 -22.751 -7.365 -1.295 1.00 0.00 O ATOM 1524 OE2 GLU A 93 -23.866 -7.593 0.584 1.00 0.00 O ATOM 1525 OXT GLU A 93 -18.673 -7.264 -0.302 1.00 0.00 O ATOM 0 H GLU A 93 -18.691 -3.557 1.126 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.715 -5.327 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.627 -4.919 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.850 -5.688 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.827 -7.842 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.795 -7.031 1.812 1.00 0.00 H new TER 1532 GLU A 93