USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0314 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 23:sc= 0.82 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -6.48! C(o=-6.5!,f=-7.1!) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0257 (180deg=-0.389) USER MOD Single : A 7 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.57) USER MOD Single : A 15 MET CE :methyl 173:sc= -0.462 (180deg=-0.498) USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= 0.591 (180deg=-1.31) USER MOD Single : A 22 SER OG : rot -160:sc= -0.414 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -0.154 (180deg=-0.999) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.0836 (180deg=-0.687) USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= -0.02 (180deg=-0.641) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.454 USER MOD Single : A 48 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ -113:sc= -1.68 (180deg=-4.11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 115:sc= 0.866 USER MOD Single : A 67 CYS SG : rot -46:sc= 1.28 USER MOD Single : A 70 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.586 K(o=0.59,f=-7.3!) USER MOD Single : A 74 SER OG : rot -65:sc= 0.134 USER MOD Single : A 77 CYS SG : rot -21:sc= -0.457 USER MOD Single : A 80 CYS SG : rot -24:sc= -0.645 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.51 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 139:sc= 0.0334 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 31:sc= 0.639 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -7.02! C(o=-7!,f=-7.4!) USER MOD Single : B 6 LYS NZ :NH3+ 162:sc= -0.0515 (180deg=-0.417) USER MOD Single : B 7 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.6) USER MOD Single : B 15 MET CE :methyl 174:sc= -0.45 (180deg=-0.469) USER MOD Single : B 18 LYS NZ :NH3+ -116:sc= 0.636 (180deg=-1.53) USER MOD Single : B 22 SER OG : rot -160:sc= -0.383 USER MOD Single : B 32 LYS NZ :NH3+ 151:sc= -0.142 (180deg=-0.905) USER MOD Single : B 33 LYS NZ :NH3+ -160:sc= -0.135 (180deg=-0.763) USER MOD Single : B 41 LYS NZ :NH3+ -135:sc= -0.0422 (180deg=-0.777) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.535 USER MOD Single : B 48 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.22) USER MOD Single : B 53 LYS NZ :NH3+ -118:sc= -1.59 (180deg=-4.01!) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 76:sc= 0.85 USER MOD Single : B 67 CYS SG : rot -51:sc= 1.36 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= 0.604 K(o=0.6,f=-7.1!) USER MOD Single : B 74 SER OG : rot -67:sc= 0.138 USER MOD Single : B 77 CYS SG : rot -22:sc= -0.416 USER MOD Single : B 80 CYS SG : rot -24:sc= -0.691 USER MOD Single : B 85 CYS SG : rot -172:sc= -0.546 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 116.860 -3.907 10.841 1.00 3.75 N ATOM 2 CA MET A 1 118.183 -4.335 10.300 1.00 3.27 C ATOM 3 C MET A 1 118.178 -5.845 10.052 1.00 2.28 C ATOM 4 O MET A 1 117.550 -6.600 10.766 1.00 2.68 O ATOM 5 CB MET A 1 119.280 -3.996 11.311 1.00 3.76 C ATOM 6 CG MET A 1 120.652 -4.238 10.679 1.00 4.33 C ATOM 7 SD MET A 1 121.944 -3.816 11.873 1.00 5.05 S ATOM 8 CE MET A 1 123.346 -4.458 10.929 1.00 5.68 C ATOM 0 H1 MET A 1 117.005 -3.286 11.662 1.00 3.75 H new ATOM 0 H2 MET A 1 116.334 -3.392 10.106 1.00 3.75 H new ATOM 0 H3 MET A 1 116.317 -4.745 11.132 1.00 3.75 H new ATOM 0 HA MET A 1 118.371 -3.814 9.361 1.00 3.27 H new ATOM 0 HB2 MET A 1 119.191 -2.956 11.624 1.00 3.76 H new ATOM 0 HB3 MET A 1 119.167 -4.609 12.205 1.00 3.76 H new ATOM 0 HG2 MET A 1 120.747 -5.281 10.377 1.00 4.33 H new ATOM 0 HG3 MET A 1 120.762 -3.634 9.778 1.00 4.33 H new ATOM 0 HE1 MET A 1 124.266 -4.299 11.491 1.00 5.68 H new ATOM 0 HE2 MET A 1 123.208 -5.525 10.753 1.00 5.68 H new ATOM 0 HE3 MET A 1 123.410 -3.938 9.973 1.00 5.68 H new ATOM 20 N THR A 2 118.882 -6.293 9.048 1.00 1.63 N ATOM 21 CA THR A 2 118.923 -7.756 8.762 1.00 1.44 C ATOM 22 C THR A 2 120.079 -8.056 7.805 1.00 1.17 C ATOM 23 O THR A 2 120.186 -7.479 6.741 1.00 1.22 O ATOM 24 CB THR A 2 117.594 -8.198 8.135 1.00 2.22 C ATOM 25 OG1 THR A 2 117.597 -9.610 7.977 1.00 2.76 O ATOM 26 CG2 THR A 2 117.412 -7.530 6.771 1.00 3.02 C ATOM 0 H THR A 2 119.430 -5.711 8.414 1.00 1.63 H new ATOM 0 HA THR A 2 119.076 -8.305 9.691 1.00 1.44 H new ATOM 0 HB THR A 2 116.772 -7.903 8.787 1.00 2.22 H new ATOM 0 HG1 THR A 2 116.749 -9.896 7.578 1.00 2.76 H new ATOM 0 HG21 THR A 2 116.466 -7.849 6.333 1.00 3.02 H new ATOM 0 HG22 THR A 2 117.408 -6.447 6.894 1.00 3.02 H new ATOM 0 HG23 THR A 2 118.232 -7.817 6.113 1.00 3.02 H new ATOM 34 N THR A 3 120.954 -8.954 8.184 1.00 0.96 N ATOM 35 CA THR A 3 122.117 -9.303 7.311 1.00 0.75 C ATOM 36 C THR A 3 121.832 -10.617 6.577 1.00 0.69 C ATOM 37 O THR A 3 121.561 -11.632 7.187 1.00 0.74 O ATOM 38 CB THR A 3 123.366 -9.470 8.178 1.00 0.68 C ATOM 39 OG1 THR A 3 123.185 -10.576 9.051 1.00 0.79 O ATOM 40 CG2 THR A 3 123.603 -8.199 8.998 1.00 0.75 C ATOM 0 H THR A 3 120.912 -9.464 9.067 1.00 0.96 H new ATOM 0 HA THR A 3 122.277 -8.508 6.583 1.00 0.75 H new ATOM 0 HB THR A 3 124.231 -9.646 7.539 1.00 0.68 H new ATOM 0 HG1 THR A 3 122.518 -11.186 8.673 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.494 -8.324 9.614 1.00 0.75 H new ATOM 0 HG22 THR A 3 123.742 -7.353 8.325 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.742 -8.014 9.640 1.00 0.75 H new ATOM 48 N SER A 4 121.894 -10.605 5.274 1.00 0.63 N ATOM 49 CA SER A 4 121.628 -11.852 4.496 1.00 0.61 C ATOM 50 C SER A 4 122.884 -12.730 4.480 1.00 0.60 C ATOM 51 O SER A 4 123.942 -12.342 4.937 1.00 0.57 O ATOM 52 CB SER A 4 121.244 -11.482 3.063 1.00 0.63 C ATOM 53 OG SER A 4 120.054 -10.704 3.083 1.00 1.51 O ATOM 0 H SER A 4 122.118 -9.784 4.711 1.00 0.63 H new ATOM 0 HA SER A 4 120.812 -12.403 4.963 1.00 0.61 H new ATOM 0 HB2 SER A 4 122.051 -10.922 2.591 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.093 -12.384 2.470 1.00 0.63 H new ATOM 0 HG SER A 4 119.805 -10.463 2.166 1.00 1.51 H new ATOM 59 N GLN A 5 122.757 -13.925 3.963 1.00 0.63 N ATOM 60 CA GLN A 5 123.912 -14.869 3.913 1.00 0.64 C ATOM 61 C GLN A 5 125.097 -14.205 3.210 1.00 0.60 C ATOM 62 O GLN A 5 126.238 -14.566 3.420 1.00 0.59 O ATOM 63 CB GLN A 5 123.499 -16.129 3.145 1.00 0.71 C ATOM 64 CG GLN A 5 124.557 -17.221 3.326 1.00 1.34 C ATOM 65 CD GLN A 5 124.427 -17.836 4.722 1.00 1.60 C ATOM 66 OE1 GLN A 5 125.344 -17.771 5.516 1.00 2.09 O ATOM 67 NE2 GLN A 5 123.314 -18.430 5.057 1.00 2.18 N ATOM 0 H GLN A 5 121.890 -14.291 3.568 1.00 0.63 H new ATOM 0 HA GLN A 5 124.206 -15.136 4.928 1.00 0.64 H new ATOM 0 HB2 GLN A 5 122.533 -16.484 3.504 1.00 0.71 H new ATOM 0 HB3 GLN A 5 123.380 -15.898 2.086 1.00 0.71 H new ATOM 0 HG2 GLN A 5 124.433 -17.992 2.565 1.00 1.34 H new ATOM 0 HG3 GLN A 5 125.554 -16.801 3.194 1.00 1.34 H new ATOM 0 HE21 GLN A 5 122.544 -18.484 4.390 1.00 2.18 H new ATOM 0 HE22 GLN A 5 123.214 -18.840 5.986 1.00 2.18 H new ATOM 76 N LYS A 6 124.841 -13.235 2.375 1.00 0.59 N ATOM 77 CA LYS A 6 125.951 -12.551 1.661 1.00 0.57 C ATOM 78 C LYS A 6 126.881 -11.898 2.684 1.00 0.51 C ATOM 79 O LYS A 6 128.085 -11.889 2.519 1.00 0.50 O ATOM 80 CB LYS A 6 125.375 -11.473 0.740 1.00 0.58 C ATOM 81 CG LYS A 6 124.609 -12.141 -0.404 1.00 0.65 C ATOM 82 CD LYS A 6 124.027 -11.071 -1.331 1.00 0.81 C ATOM 83 CE LYS A 6 123.263 -11.747 -2.472 1.00 1.26 C ATOM 84 NZ LYS A 6 122.065 -12.448 -1.924 1.00 2.02 N ATOM 0 H LYS A 6 123.907 -12.887 2.157 1.00 0.59 H new ATOM 0 HA LYS A 6 126.508 -13.277 1.069 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.712 -10.815 1.302 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.177 -10.852 0.342 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.274 -12.798 -0.964 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.809 -12.763 -0.004 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.361 -10.413 -0.772 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.826 -10.448 -1.733 1.00 0.81 H new ATOM 0 HE2 LYS A 6 122.957 -11.004 -3.209 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.910 -12.458 -2.986 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 121.386 -12.626 -2.691 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.355 -13.353 -1.501 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 121.618 -11.854 -1.197 1.00 2.02 H new ATOM 98 N HIS A 7 126.341 -11.340 3.727 1.00 0.49 N ATOM 99 CA HIS A 7 127.205 -10.676 4.741 1.00 0.45 C ATOM 100 C HIS A 7 128.201 -11.680 5.324 1.00 0.45 C ATOM 101 O HIS A 7 129.388 -11.427 5.377 1.00 0.43 O ATOM 102 CB HIS A 7 126.313 -10.117 5.858 1.00 0.45 C ATOM 103 CG HIS A 7 127.148 -9.660 7.026 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.429 -8.321 7.263 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.754 -10.356 8.044 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.173 -8.256 8.385 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.397 -9.467 8.896 1.00 0.42 N ATOM 0 H HIS A 7 125.340 -11.314 3.923 1.00 0.49 H new ATOM 0 HA HIS A 7 127.765 -9.867 4.272 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.724 -9.283 5.477 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.608 -10.882 6.185 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.734 -11.429 8.163 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.542 -7.337 8.817 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.929 -9.693 9.736 1.00 0.42 H new ATOM 115 N ARG A 8 127.730 -12.822 5.768 1.00 0.48 N ATOM 116 CA ARG A 8 128.641 -13.845 6.350 1.00 0.50 C ATOM 117 C ARG A 8 129.526 -14.447 5.266 1.00 0.51 C ATOM 118 O ARG A 8 130.669 -14.780 5.499 1.00 0.51 O ATOM 119 CB ARG A 8 127.806 -14.954 6.990 1.00 0.55 C ATOM 120 CG ARG A 8 127.116 -14.418 8.244 1.00 0.57 C ATOM 121 CD ARG A 8 126.227 -15.510 8.838 1.00 1.00 C ATOM 122 NE ARG A 8 125.126 -15.815 7.880 1.00 1.69 N ATOM 123 CZ ARG A 8 124.388 -16.878 8.045 1.00 2.27 C ATOM 124 NH1 ARG A 8 124.620 -17.686 9.042 1.00 2.42 N ATOM 125 NH2 ARG A 8 123.418 -17.134 7.210 1.00 3.21 N ATOM 0 H ARG A 8 126.745 -13.086 5.749 1.00 0.48 H new ATOM 0 HA ARG A 8 129.274 -13.370 7.100 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.062 -15.318 6.281 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.443 -15.800 7.247 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.860 -14.101 8.975 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.518 -13.541 7.997 1.00 0.57 H new ATOM 0 HD2 ARG A 8 126.814 -16.407 9.035 1.00 1.00 H new ATOM 0 HD3 ARG A 8 125.815 -15.182 9.793 1.00 1.00 H new ATOM 0 HE ARG A 8 124.949 -15.191 7.093 1.00 1.69 H new ATOM 0 HH11 ARG A 8 125.379 -17.487 9.694 1.00 2.42 H new ATOM 0 HH12 ARG A 8 124.042 -18.517 9.170 1.00 2.42 H new ATOM 0 HH21 ARG A 8 123.237 -16.503 6.429 1.00 3.21 H new ATOM 0 HH22 ARG A 8 122.841 -17.965 7.338 1.00 3.21 H new ATOM 139 N ASP A 9 129.011 -14.594 4.082 1.00 0.52 N ATOM 140 CA ASP A 9 129.828 -15.184 2.992 1.00 0.54 C ATOM 141 C ASP A 9 130.945 -14.209 2.613 1.00 0.49 C ATOM 142 O ASP A 9 132.063 -14.600 2.342 1.00 0.49 O ATOM 143 CB ASP A 9 128.946 -15.456 1.775 1.00 0.61 C ATOM 144 CG ASP A 9 127.994 -16.615 2.083 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.264 -17.345 3.022 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.014 -16.756 1.369 1.00 0.76 O ATOM 0 H ASP A 9 128.060 -14.331 3.822 1.00 0.52 H new ATOM 0 HA ASP A 9 130.264 -16.123 3.332 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.377 -14.563 1.518 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.565 -15.699 0.911 1.00 0.61 H new ATOM 151 N PHE A 10 130.641 -12.945 2.577 1.00 0.46 N ATOM 152 CA PHE A 10 131.678 -11.943 2.197 1.00 0.43 C ATOM 153 C PHE A 10 132.835 -11.985 3.206 1.00 0.38 C ATOM 154 O PHE A 10 133.992 -12.031 2.837 1.00 0.36 O ATOM 155 CB PHE A 10 131.053 -10.546 2.196 1.00 0.45 C ATOM 156 CG PHE A 10 132.014 -9.555 1.581 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.951 -8.891 2.379 1.00 0.43 C ATOM 158 CD2 PHE A 10 131.960 -9.300 0.204 1.00 0.44 C ATOM 159 CE1 PHE A 10 133.836 -7.972 1.802 1.00 0.43 C ATOM 160 CE2 PHE A 10 132.843 -8.380 -0.372 1.00 0.44 C ATOM 161 CZ PHE A 10 133.781 -7.716 0.425 1.00 0.43 C ATOM 0 H PHE A 10 129.722 -12.560 2.793 1.00 0.46 H new ATOM 0 HA PHE A 10 132.060 -12.176 1.203 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.119 -10.556 1.635 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.810 -10.246 3.215 1.00 0.45 H new ATOM 0 HD1 PHE A 10 132.992 -9.087 3.440 1.00 0.43 H new ATOM 0 HD2 PHE A 10 131.237 -9.813 -0.412 1.00 0.44 H new ATOM 0 HE1 PHE A 10 134.561 -7.460 2.418 1.00 0.43 H new ATOM 0 HE2 PHE A 10 132.800 -8.182 -1.433 1.00 0.44 H new ATOM 0 HZ PHE A 10 134.463 -7.006 -0.020 1.00 0.43 H new ATOM 171 N VAL A 11 132.529 -11.950 4.476 1.00 0.37 N ATOM 172 CA VAL A 11 133.604 -11.966 5.518 1.00 0.35 C ATOM 173 C VAL A 11 134.064 -13.404 5.802 1.00 0.37 C ATOM 174 O VAL A 11 134.800 -13.650 6.737 1.00 0.38 O ATOM 175 CB VAL A 11 133.052 -11.343 6.805 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.562 -9.918 6.521 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.885 -12.192 7.320 1.00 0.40 C ATOM 0 H VAL A 11 131.577 -11.911 4.840 1.00 0.37 H new ATOM 0 HA VAL A 11 134.460 -11.396 5.157 1.00 0.35 H new ATOM 0 HB VAL A 11 133.840 -11.309 7.558 1.00 0.37 H new ATOM 0 HG11 VAL A 11 132.170 -9.478 7.438 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.392 -9.314 6.155 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.775 -9.947 5.768 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.490 -11.751 8.235 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.099 -12.226 6.566 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.234 -13.204 7.526 1.00 0.40 H new ATOM 187 N ALA A 12 133.653 -14.350 4.993 1.00 0.41 N ATOM 188 CA ALA A 12 134.083 -15.775 5.201 1.00 0.48 C ATOM 189 C ALA A 12 135.202 -16.144 4.218 1.00 0.46 C ATOM 190 O ALA A 12 135.882 -17.136 4.385 1.00 0.49 O ATOM 191 CB ALA A 12 132.890 -16.704 4.978 1.00 0.54 C ATOM 0 H ALA A 12 133.037 -14.200 4.194 1.00 0.41 H new ATOM 0 HA ALA A 12 134.455 -15.885 6.220 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.201 -17.738 5.129 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.099 -16.456 5.685 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.519 -16.581 3.961 1.00 0.54 H new ATOM 197 N GLU A 13 135.405 -15.351 3.197 1.00 0.43 N ATOM 198 CA GLU A 13 136.485 -15.655 2.207 1.00 0.43 C ATOM 199 C GLU A 13 136.961 -14.340 1.583 1.00 0.40 C ATOM 200 O GLU A 13 136.197 -13.399 1.492 1.00 0.37 O ATOM 201 CB GLU A 13 135.923 -16.570 1.108 1.00 0.46 C ATOM 202 CG GLU A 13 134.656 -15.950 0.514 1.00 0.48 C ATOM 203 CD GLU A 13 134.175 -16.801 -0.664 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.839 -17.775 -0.976 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.154 -16.461 -1.236 1.00 1.05 O ATOM 0 H GLU A 13 134.869 -14.505 3.005 1.00 0.43 H new ATOM 0 HA GLU A 13 137.318 -16.155 2.701 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.669 -16.715 0.326 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.698 -17.554 1.521 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.877 -15.889 1.274 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.858 -14.932 0.182 1.00 0.48 H new ATOM 212 N PRO A 14 138.197 -14.262 1.132 1.00 0.42 N ATOM 213 CA PRO A 14 138.724 -13.028 0.486 1.00 0.40 C ATOM 214 C PRO A 14 137.650 -12.355 -0.376 1.00 0.36 C ATOM 215 O PRO A 14 136.715 -12.994 -0.814 1.00 0.36 O ATOM 216 CB PRO A 14 139.874 -13.557 -0.372 1.00 0.45 C ATOM 217 CG PRO A 14 140.408 -14.735 0.390 1.00 0.49 C ATOM 218 CD PRO A 14 139.224 -15.321 1.185 1.00 0.48 C ATOM 0 HA PRO A 14 139.037 -12.266 1.200 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.526 -13.851 -1.362 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.642 -12.797 -0.516 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.824 -15.479 -0.289 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.212 -14.430 1.060 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.864 -16.248 0.739 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.508 -15.550 2.212 1.00 0.48 H new ATOM 226 N MET A 15 137.759 -11.074 -0.609 1.00 0.35 N ATOM 227 CA MET A 15 136.719 -10.377 -1.429 1.00 0.35 C ATOM 228 C MET A 15 137.130 -10.351 -2.905 1.00 0.36 C ATOM 229 O MET A 15 136.298 -10.272 -3.784 1.00 0.39 O ATOM 230 CB MET A 15 136.506 -8.950 -0.908 1.00 0.37 C ATOM 231 CG MET A 15 137.844 -8.214 -0.772 1.00 0.41 C ATOM 232 SD MET A 15 137.599 -6.685 0.173 1.00 0.57 S ATOM 233 CE MET A 15 136.939 -5.654 -1.162 1.00 0.43 C ATOM 0 H MET A 15 138.517 -10.481 -0.271 1.00 0.35 H new ATOM 0 HA MET A 15 135.781 -10.925 -1.343 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.853 -8.403 -1.588 1.00 0.37 H new ATOM 0 HB3 MET A 15 136.004 -8.982 0.059 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.573 -8.851 -0.271 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.247 -7.984 -1.758 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.606 -4.700 -0.754 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.717 -5.479 -1.905 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.097 -6.162 -1.632 1.00 0.43 H new ATOM 243 N GLY A 16 138.402 -10.434 -3.188 1.00 0.37 N ATOM 244 CA GLY A 16 138.851 -10.432 -4.612 1.00 0.40 C ATOM 245 C GLY A 16 138.267 -9.227 -5.354 1.00 0.40 C ATOM 246 O GLY A 16 138.273 -8.119 -4.856 1.00 0.38 O ATOM 0 H GLY A 16 139.149 -10.503 -2.497 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.940 -10.402 -4.657 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.537 -11.355 -5.100 1.00 0.40 H new ATOM 250 N GLU A 17 137.778 -9.440 -6.553 1.00 0.41 N ATOM 251 CA GLU A 17 137.203 -8.317 -7.366 1.00 0.42 C ATOM 252 C GLU A 17 135.695 -8.505 -7.519 1.00 0.40 C ATOM 253 O GLU A 17 135.142 -8.318 -8.585 1.00 0.40 O ATOM 254 CB GLU A 17 137.848 -8.322 -8.752 1.00 0.47 C ATOM 255 CG GLU A 17 139.313 -7.893 -8.639 1.00 0.52 C ATOM 256 CD GLU A 17 139.956 -7.897 -10.027 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.329 -8.393 -10.949 1.00 0.76 O ATOM 258 OE2 GLU A 17 141.069 -7.411 -10.145 1.00 0.85 O ATOM 0 H GLU A 17 137.752 -10.352 -7.008 1.00 0.41 H new ATOM 0 HA GLU A 17 137.400 -7.371 -6.863 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.783 -9.318 -9.191 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.311 -7.645 -9.417 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.378 -6.898 -8.199 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.851 -8.570 -7.976 1.00 0.52 H new ATOM 265 N LYS A 18 135.023 -8.877 -6.468 1.00 0.38 N ATOM 266 CA LYS A 18 133.552 -9.078 -6.566 1.00 0.36 C ATOM 267 C LYS A 18 132.908 -7.752 -6.990 1.00 0.32 C ATOM 268 O LYS A 18 133.405 -6.693 -6.659 1.00 0.31 O ATOM 269 CB LYS A 18 133.001 -9.497 -5.203 1.00 0.36 C ATOM 270 CG LYS A 18 133.456 -10.921 -4.880 1.00 0.45 C ATOM 271 CD LYS A 18 133.203 -11.209 -3.400 1.00 1.17 C ATOM 272 CE LYS A 18 133.555 -12.665 -3.091 1.00 1.44 C ATOM 273 NZ LYS A 18 135.006 -12.891 -3.346 1.00 2.01 N ATOM 0 H LYS A 18 135.427 -9.050 -5.547 1.00 0.38 H new ATOM 0 HA LYS A 18 133.329 -9.856 -7.296 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.349 -8.810 -4.432 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.912 -9.445 -5.208 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.916 -11.637 -5.499 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.515 -11.037 -5.109 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.802 -10.541 -2.782 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.158 -11.018 -3.156 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.317 -12.895 -2.052 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.958 -13.334 -3.710 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 135.120 -13.588 -4.110 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 135.453 -11.995 -3.626 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 135.459 -13.248 -2.481 1.00 2.01 H new ATOM 287 N PRO A 19 131.823 -7.792 -7.726 1.00 0.31 N ATOM 288 CA PRO A 19 131.140 -6.552 -8.197 1.00 0.29 C ATOM 289 C PRO A 19 130.623 -5.700 -7.031 1.00 0.25 C ATOM 290 O PRO A 19 130.457 -6.170 -5.923 1.00 0.24 O ATOM 291 CB PRO A 19 129.982 -7.068 -9.075 1.00 0.32 C ATOM 292 CG PRO A 19 129.759 -8.480 -8.634 1.00 0.33 C ATOM 293 CD PRO A 19 131.125 -9.004 -8.190 1.00 0.34 C ATOM 0 HA PRO A 19 131.818 -5.895 -8.742 1.00 0.29 H new ATOM 0 HB2 PRO A 19 129.084 -6.465 -8.938 1.00 0.32 H new ATOM 0 HB3 PRO A 19 130.238 -7.021 -10.133 1.00 0.32 H new ATOM 0 HG2 PRO A 19 129.040 -8.524 -7.816 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.355 -9.083 -9.447 1.00 0.33 H new ATOM 0 HD2 PRO A 19 131.032 -9.743 -7.394 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.657 -9.484 -9.011 1.00 0.34 H new ATOM 301 N VAL A 20 130.385 -4.446 -7.284 1.00 0.25 N ATOM 302 CA VAL A 20 129.897 -3.531 -6.217 1.00 0.23 C ATOM 303 C VAL A 20 128.589 -4.047 -5.607 1.00 0.21 C ATOM 304 O VAL A 20 128.359 -3.937 -4.418 1.00 0.23 O ATOM 305 CB VAL A 20 129.672 -2.142 -6.822 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.586 -2.223 -7.898 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.233 -1.164 -5.726 1.00 0.29 C ATOM 0 H VAL A 20 130.509 -4.010 -8.197 1.00 0.25 H new ATOM 0 HA VAL A 20 130.643 -3.481 -5.424 1.00 0.23 H new ATOM 0 HB VAL A 20 130.602 -1.789 -7.268 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.426 -1.234 -8.328 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.900 -2.913 -8.681 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.657 -2.579 -7.452 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.074 -0.177 -6.161 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.305 -1.515 -5.275 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.007 -1.103 -4.961 1.00 0.29 H new ATOM 317 N GLY A 21 127.716 -4.574 -6.424 1.00 0.23 N ATOM 318 CA GLY A 21 126.400 -5.064 -5.923 1.00 0.21 C ATOM 319 C GLY A 21 126.568 -6.294 -5.025 1.00 0.20 C ATOM 320 O GLY A 21 125.607 -6.784 -4.465 1.00 0.19 O ATOM 0 H GLY A 21 127.861 -4.687 -7.427 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.902 -4.270 -5.366 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.757 -5.313 -6.767 1.00 0.21 H new ATOM 324 N SER A 22 127.760 -6.805 -4.863 1.00 0.20 N ATOM 325 CA SER A 22 127.939 -7.997 -3.983 1.00 0.20 C ATOM 326 C SER A 22 128.065 -7.544 -2.528 1.00 0.19 C ATOM 327 O SER A 22 127.847 -8.309 -1.610 1.00 0.20 O ATOM 328 CB SER A 22 129.205 -8.751 -4.388 1.00 0.23 C ATOM 329 OG SER A 22 128.984 -9.398 -5.632 1.00 1.24 O ATOM 0 H SER A 22 128.612 -6.452 -5.299 1.00 0.20 H new ATOM 0 HA SER A 22 127.076 -8.654 -4.089 1.00 0.20 H new ATOM 0 HB2 SER A 22 130.044 -8.060 -4.468 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.466 -9.484 -3.625 1.00 0.23 H new ATOM 0 HG SER A 22 129.638 -10.119 -5.747 1.00 1.24 H new ATOM 335 N LEU A 23 128.419 -6.307 -2.304 1.00 0.17 N ATOM 336 CA LEU A 23 128.556 -5.828 -0.902 1.00 0.18 C ATOM 337 C LEU A 23 127.190 -5.880 -0.221 1.00 0.18 C ATOM 338 O LEU A 23 126.182 -5.503 -0.785 1.00 0.17 O ATOM 339 CB LEU A 23 129.078 -4.388 -0.893 1.00 0.18 C ATOM 340 CG LEU A 23 130.532 -4.341 -1.380 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.971 -2.877 -1.480 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.455 -5.096 -0.399 1.00 0.24 C ATOM 0 H LEU A 23 128.617 -5.614 -3.026 1.00 0.17 H new ATOM 0 HA LEU A 23 129.260 -6.465 -0.367 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.454 -3.764 -1.533 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.012 -3.977 0.115 1.00 0.18 H new ATOM 0 HG LEU A 23 130.602 -4.821 -2.356 1.00 0.21 H new ATOM 0 HD11 LEU A 23 132.004 -2.830 -1.825 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.328 -2.352 -2.186 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.894 -2.406 -0.500 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.483 -5.053 -0.760 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.396 -4.632 0.586 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.138 -6.137 -0.329 1.00 0.24 H new ATOM 354 N ALA A 24 127.156 -6.353 0.986 1.00 0.18 N ATOM 355 CA ALA A 24 125.857 -6.440 1.707 1.00 0.19 C ATOM 356 C ALA A 24 125.290 -5.034 1.924 1.00 0.20 C ATOM 357 O ALA A 24 125.991 -4.112 2.289 1.00 0.20 O ATOM 358 CB ALA A 24 126.071 -7.121 3.058 1.00 0.21 C ATOM 0 H ALA A 24 127.968 -6.684 1.507 1.00 0.18 H new ATOM 0 HA ALA A 24 125.152 -7.022 1.113 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.120 -7.186 3.588 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.468 -8.124 2.901 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.778 -6.540 3.651 1.00 0.21 H new ATOM 364 N GLY A 25 124.015 -4.878 1.689 1.00 0.20 N ATOM 365 CA GLY A 25 123.367 -3.541 1.866 1.00 0.21 C ATOM 366 C GLY A 25 123.314 -2.822 0.516 1.00 0.21 C ATOM 367 O GLY A 25 122.555 -1.892 0.326 1.00 0.22 O ATOM 0 H GLY A 25 123.389 -5.622 1.380 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.360 -3.662 2.266 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.927 -2.945 2.587 1.00 0.21 H new ATOM 371 N ILE A 26 124.109 -3.253 -0.429 1.00 0.20 N ATOM 372 CA ILE A 26 124.104 -2.608 -1.778 1.00 0.21 C ATOM 373 C ILE A 26 123.242 -3.456 -2.709 1.00 0.23 C ATOM 374 O ILE A 26 123.573 -4.588 -3.005 1.00 0.25 O ATOM 375 CB ILE A 26 125.533 -2.554 -2.326 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.474 -1.923 -1.290 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.556 -1.720 -3.607 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.913 -0.585 -0.805 1.00 0.24 C ATOM 0 H ILE A 26 124.765 -4.027 -0.325 1.00 0.20 H new ATOM 0 HA ILE A 26 123.708 -1.595 -1.708 1.00 0.21 H new ATOM 0 HB ILE A 26 125.869 -3.569 -2.540 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.600 -2.599 -0.445 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.460 -1.773 -1.729 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.573 -1.681 -3.998 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.899 -2.174 -4.349 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.212 -0.709 -3.389 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.592 -0.151 -0.071 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.810 0.095 -1.651 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.937 -0.744 -0.347 1.00 0.24 H new ATOM 390 N GLY A 27 122.137 -2.940 -3.182 1.00 0.24 N ATOM 391 CA GLY A 27 121.270 -3.740 -4.095 1.00 0.28 C ATOM 392 C GLY A 27 121.653 -3.467 -5.552 1.00 0.28 C ATOM 393 O GLY A 27 122.492 -2.638 -5.842 1.00 0.27 O ATOM 0 H GLY A 27 121.799 -2.000 -2.975 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.378 -4.802 -3.875 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.223 -3.485 -3.932 1.00 0.28 H new ATOM 397 N GLU A 28 121.046 -4.169 -6.468 1.00 0.30 N ATOM 398 CA GLU A 28 121.382 -3.956 -7.905 1.00 0.32 C ATOM 399 C GLU A 28 121.113 -2.498 -8.283 1.00 0.32 C ATOM 400 O GLU A 28 121.870 -1.888 -9.012 1.00 0.34 O ATOM 401 CB GLU A 28 120.539 -4.888 -8.777 1.00 0.36 C ATOM 402 CG GLU A 28 121.011 -6.331 -8.582 1.00 0.39 C ATOM 403 CD GLU A 28 120.063 -7.283 -9.313 1.00 1.28 C ATOM 404 OE1 GLU A 28 120.282 -7.520 -10.489 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.133 -7.759 -8.682 1.00 1.65 O ATOM 0 H GLU A 28 120.335 -4.878 -6.286 1.00 0.30 H new ATOM 0 HA GLU A 28 122.437 -4.178 -8.067 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.486 -4.799 -8.511 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.628 -4.603 -9.825 1.00 0.36 H new ATOM 0 HG2 GLU A 28 122.025 -6.447 -8.964 1.00 0.39 H new ATOM 0 HG3 GLU A 28 121.040 -6.575 -7.520 1.00 0.39 H new ATOM 412 N VAL A 29 120.043 -1.931 -7.795 1.00 0.31 N ATOM 413 CA VAL A 29 119.739 -0.511 -8.128 1.00 0.33 C ATOM 414 C VAL A 29 120.819 0.393 -7.529 1.00 0.33 C ATOM 415 O VAL A 29 121.349 1.269 -8.185 1.00 0.35 O ATOM 416 CB VAL A 29 118.365 -0.136 -7.554 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.141 1.376 -7.670 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.272 -0.866 -8.339 1.00 0.35 C ATOM 0 H VAL A 29 119.368 -2.389 -7.182 1.00 0.31 H new ATOM 0 HA VAL A 29 119.723 -0.382 -9.210 1.00 0.33 H new ATOM 0 HB VAL A 29 118.327 -0.426 -6.504 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.164 1.632 -7.260 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.917 1.902 -7.114 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.183 1.671 -8.719 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.295 -0.602 -7.934 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.321 -0.574 -9.388 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.421 -1.942 -8.255 1.00 0.35 H new ATOM 428 N LEU A 30 121.143 0.190 -6.282 1.00 0.32 N ATOM 429 CA LEU A 30 122.181 1.033 -5.623 1.00 0.32 C ATOM 430 C LEU A 30 123.537 0.771 -6.279 1.00 0.32 C ATOM 431 O LEU A 30 124.333 1.668 -6.470 1.00 0.33 O ATOM 432 CB LEU A 30 122.264 0.674 -4.137 1.00 0.32 C ATOM 433 CG LEU A 30 120.925 0.953 -3.442 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.014 0.478 -1.988 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.606 2.460 -3.475 1.00 0.40 C ATOM 0 H LEU A 30 120.731 -0.528 -5.687 1.00 0.32 H new ATOM 0 HA LEU A 30 121.916 2.085 -5.731 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.527 -0.378 -4.025 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.055 1.253 -3.661 1.00 0.32 H new ATOM 0 HG LEU A 30 120.130 0.419 -3.963 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.067 0.671 -1.483 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.225 -0.591 -1.967 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.813 1.016 -1.478 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.653 2.641 -2.978 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.394 3.010 -2.960 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.545 2.796 -4.510 1.00 0.40 H new ATOM 447 N GLY A 31 123.800 -0.455 -6.618 1.00 0.33 N ATOM 448 CA GLY A 31 125.102 -0.790 -7.257 1.00 0.34 C ATOM 449 C GLY A 31 125.251 -0.010 -8.563 1.00 0.35 C ATOM 450 O GLY A 31 126.323 0.450 -8.905 1.00 0.35 O ATOM 0 H GLY A 31 123.169 -1.244 -6.481 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.923 -0.547 -6.582 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.157 -1.861 -7.453 1.00 0.34 H new ATOM 454 N LYS A 32 124.187 0.125 -9.304 1.00 0.35 N ATOM 455 CA LYS A 32 124.260 0.856 -10.601 1.00 0.37 C ATOM 456 C LYS A 32 124.630 2.331 -10.374 1.00 0.36 C ATOM 457 O LYS A 32 125.381 2.905 -11.137 1.00 0.38 O ATOM 458 CB LYS A 32 122.901 0.771 -11.308 1.00 0.39 C ATOM 459 CG LYS A 32 122.638 -0.666 -11.795 1.00 1.18 C ATOM 460 CD LYS A 32 123.390 -0.940 -13.107 1.00 1.37 C ATOM 461 CE LYS A 32 122.918 -2.271 -13.694 1.00 2.06 C ATOM 462 NZ LYS A 32 121.469 -2.182 -14.032 1.00 2.74 N ATOM 0 H LYS A 32 123.265 -0.241 -9.066 1.00 0.35 H new ATOM 0 HA LYS A 32 125.031 0.397 -11.220 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.109 1.081 -10.626 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.880 1.458 -12.154 1.00 0.39 H new ATOM 0 HG2 LYS A 32 122.955 -1.378 -11.033 1.00 1.18 H new ATOM 0 HG3 LYS A 32 121.569 -0.815 -11.945 1.00 1.18 H new ATOM 0 HD2 LYS A 32 123.211 -0.133 -13.817 1.00 1.37 H new ATOM 0 HD3 LYS A 32 124.464 -0.971 -12.924 1.00 1.37 H new ATOM 0 HE2 LYS A 32 123.496 -2.512 -14.586 1.00 2.06 H new ATOM 0 HE3 LYS A 32 123.086 -3.076 -12.978 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 121.248 -2.856 -14.793 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.902 -2.411 -13.191 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 121.245 -1.217 -14.348 1.00 2.74 H new ATOM 476 N LYS A 33 124.104 2.963 -9.356 1.00 0.35 N ATOM 477 CA LYS A 33 124.437 4.405 -9.140 1.00 0.36 C ATOM 478 C LYS A 33 125.912 4.550 -8.764 1.00 0.34 C ATOM 479 O LYS A 33 126.607 5.410 -9.266 1.00 0.36 O ATOM 480 CB LYS A 33 123.572 4.958 -8.010 1.00 0.36 C ATOM 481 CG LYS A 33 122.105 4.913 -8.436 1.00 0.39 C ATOM 482 CD LYS A 33 121.226 5.465 -7.313 1.00 0.64 C ATOM 483 CE LYS A 33 119.757 5.373 -7.726 1.00 0.65 C ATOM 484 NZ LYS A 33 119.546 6.149 -8.979 1.00 1.54 N ATOM 0 H LYS A 33 123.467 2.551 -8.674 1.00 0.35 H new ATOM 0 HA LYS A 33 124.245 4.959 -10.059 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.718 4.372 -7.103 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.865 5.982 -7.778 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.962 5.498 -9.344 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.815 3.888 -8.668 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.393 4.901 -6.395 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.492 6.501 -7.104 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.475 4.331 -7.879 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.120 5.763 -6.932 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.658 6.686 -8.910 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 120.339 6.808 -9.117 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.494 5.496 -9.787 1.00 1.54 H new ATOM 498 N LEU A 34 126.407 3.702 -7.908 1.00 0.32 N ATOM 499 CA LEU A 34 127.847 3.783 -7.535 1.00 0.31 C ATOM 500 C LEU A 34 128.691 3.545 -8.794 1.00 0.31 C ATOM 501 O LEU A 34 129.702 4.178 -9.018 1.00 0.33 O ATOM 502 CB LEU A 34 128.158 2.723 -6.464 1.00 0.29 C ATOM 503 CG LEU A 34 127.497 3.106 -5.125 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.350 1.857 -4.247 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.377 4.124 -4.372 1.00 0.34 C ATOM 0 H LEU A 34 125.879 2.958 -7.451 1.00 0.32 H new ATOM 0 HA LEU A 34 128.081 4.765 -7.125 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.795 1.748 -6.791 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.236 2.634 -6.333 1.00 0.29 H new ATOM 0 HG LEU A 34 126.520 3.541 -5.333 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.883 2.130 -3.301 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.729 1.123 -4.760 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.334 1.429 -4.055 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.901 4.388 -3.428 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.355 3.684 -4.175 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.498 5.020 -4.980 1.00 0.34 H new ATOM 517 N GLU A 35 128.265 2.624 -9.608 1.00 0.32 N ATOM 518 CA GLU A 35 129.022 2.315 -10.862 1.00 0.34 C ATOM 519 C GLU A 35 129.118 3.546 -11.761 1.00 0.37 C ATOM 520 O GLU A 35 130.144 3.817 -12.351 1.00 0.39 O ATOM 521 CB GLU A 35 128.309 1.198 -11.620 1.00 0.35 C ATOM 522 CG GLU A 35 129.048 0.916 -12.931 1.00 0.93 C ATOM 523 CD GLU A 35 128.485 -0.353 -13.571 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.717 -1.033 -12.912 1.00 1.36 O ATOM 525 OE2 GLU A 35 128.831 -0.622 -14.709 1.00 1.67 O ATOM 0 H GLU A 35 127.423 2.067 -9.463 1.00 0.32 H new ATOM 0 HA GLU A 35 130.030 2.004 -10.588 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.273 0.296 -11.010 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.278 1.485 -11.826 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.937 1.760 -13.612 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.115 0.798 -12.741 1.00 0.93 H new ATOM 532 N GLU A 36 128.054 4.283 -11.890 1.00 0.39 N ATOM 533 CA GLU A 36 128.084 5.480 -12.773 1.00 0.43 C ATOM 534 C GLU A 36 129.067 6.502 -12.209 1.00 0.45 C ATOM 535 O GLU A 36 129.532 7.383 -12.904 1.00 0.49 O ATOM 536 CB GLU A 36 126.685 6.094 -12.834 1.00 0.45 C ATOM 537 CG GLU A 36 125.753 5.153 -13.597 1.00 1.12 C ATOM 538 CD GLU A 36 126.148 5.129 -15.075 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.707 6.111 -15.534 1.00 1.86 O ATOM 540 OE2 GLU A 36 125.890 4.127 -15.722 1.00 2.00 O ATOM 0 H GLU A 36 127.164 4.109 -11.423 1.00 0.39 H new ATOM 0 HA GLU A 36 128.400 5.190 -13.775 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.305 6.262 -11.826 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.723 7.065 -13.327 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.811 4.148 -13.178 1.00 1.12 H new ATOM 0 HG3 GLU A 36 124.720 5.483 -13.491 1.00 1.12 H new ATOM 547 N ARG A 37 129.373 6.396 -10.948 1.00 0.42 N ATOM 548 CA ARG A 37 130.314 7.373 -10.328 1.00 0.45 C ATOM 549 C ARG A 37 131.753 6.842 -10.362 1.00 0.42 C ATOM 550 O ARG A 37 132.652 7.449 -9.814 1.00 0.43 O ATOM 551 CB ARG A 37 129.887 7.650 -8.887 1.00 0.45 C ATOM 552 CG ARG A 37 128.585 8.453 -8.899 1.00 0.53 C ATOM 553 CD ARG A 37 128.233 8.882 -7.477 1.00 0.86 C ATOM 554 NE ARG A 37 129.334 9.724 -6.935 1.00 1.42 N ATOM 555 CZ ARG A 37 129.126 10.491 -5.900 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.937 10.562 -5.367 1.00 2.15 N ATOM 557 NH2 ARG A 37 130.105 11.197 -5.405 1.00 2.69 N ATOM 0 H ARG A 37 129.014 5.678 -10.319 1.00 0.42 H new ATOM 0 HA ARG A 37 130.283 8.301 -10.899 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.746 6.712 -8.349 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.666 8.204 -8.363 1.00 0.45 H new ATOM 0 HG2 ARG A 37 128.693 9.330 -9.538 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.779 7.851 -9.318 1.00 0.53 H new ATOM 0 HD2 ARG A 37 127.297 9.440 -7.474 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.084 8.006 -6.846 1.00 0.86 H new ATOM 0 HE ARG A 37 130.254 9.701 -7.374 1.00 1.42 H new ATOM 0 HH11 ARG A 37 127.169 10.018 -5.759 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.776 11.162 -4.558 1.00 2.15 H new ATOM 0 HH21 ARG A 37 131.032 11.149 -5.827 1.00 2.69 H new ATOM 0 HH22 ARG A 37 129.943 11.797 -4.596 1.00 2.69 H new ATOM 571 N GLY A 38 131.995 5.745 -11.048 1.00 0.40 N ATOM 572 CA GLY A 38 133.397 5.221 -11.164 1.00 0.39 C ATOM 573 C GLY A 38 133.663 4.055 -10.207 1.00 0.37 C ATOM 574 O GLY A 38 134.785 3.600 -10.096 1.00 0.48 O ATOM 0 H GLY A 38 131.285 5.193 -11.530 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.577 4.896 -12.189 1.00 0.39 H new ATOM 0 HA3 GLY A 38 134.102 6.026 -10.957 1.00 0.39 H new ATOM 578 N PHE A 39 132.665 3.539 -9.532 1.00 0.31 N ATOM 579 CA PHE A 39 132.895 2.380 -8.608 1.00 0.28 C ATOM 580 C PHE A 39 132.338 1.116 -9.266 1.00 0.28 C ATOM 581 O PHE A 39 131.289 0.622 -8.902 1.00 0.28 O ATOM 582 CB PHE A 39 132.148 2.627 -7.305 1.00 0.27 C ATOM 583 CG PHE A 39 132.683 3.866 -6.633 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.124 5.111 -6.928 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.732 3.770 -5.710 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.612 6.265 -6.307 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.221 4.925 -5.087 1.00 0.30 C ATOM 588 CZ PHE A 39 133.661 6.174 -5.387 1.00 0.32 C ATOM 0 H PHE A 39 131.701 3.869 -9.580 1.00 0.31 H new ATOM 0 HA PHE A 39 133.960 2.265 -8.407 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.082 2.742 -7.503 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.259 1.768 -6.644 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.313 5.183 -7.637 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.163 2.807 -5.479 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.179 7.227 -6.538 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.030 4.853 -4.375 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.039 7.065 -4.908 1.00 0.32 H new ATOM 598 N ASP A 40 133.015 0.618 -10.261 1.00 0.30 N ATOM 599 CA ASP A 40 132.510 -0.584 -10.981 1.00 0.31 C ATOM 600 C ASP A 40 132.785 -1.858 -10.179 1.00 0.29 C ATOM 601 O ASP A 40 132.333 -2.926 -10.538 1.00 0.30 O ATOM 602 CB ASP A 40 133.216 -0.678 -12.334 1.00 0.35 C ATOM 603 CG ASP A 40 134.706 -0.961 -12.116 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.144 -0.879 -10.981 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.381 -1.252 -13.089 1.00 0.41 O ATOM 0 H ASP A 40 133.898 0.992 -10.608 1.00 0.30 H new ATOM 0 HA ASP A 40 131.433 -0.488 -11.116 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.769 -1.470 -12.935 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.089 0.252 -12.888 1.00 0.35 H new ATOM 610 N LYS A 41 133.533 -1.765 -9.109 1.00 0.28 N ATOM 611 CA LYS A 41 133.846 -2.986 -8.298 1.00 0.28 C ATOM 612 C LYS A 41 133.731 -2.683 -6.802 1.00 0.23 C ATOM 613 O LYS A 41 133.804 -1.548 -6.373 1.00 0.23 O ATOM 614 CB LYS A 41 135.255 -3.453 -8.655 1.00 0.34 C ATOM 615 CG LYS A 41 135.233 -4.023 -10.079 1.00 0.48 C ATOM 616 CD LYS A 41 136.632 -4.483 -10.481 1.00 0.74 C ATOM 617 CE LYS A 41 136.572 -5.151 -11.855 1.00 0.71 C ATOM 618 NZ LYS A 41 135.894 -6.472 -11.734 1.00 1.56 N ATOM 0 H LYS A 41 133.941 -0.898 -8.760 1.00 0.28 H new ATOM 0 HA LYS A 41 133.131 -3.777 -8.525 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.957 -2.622 -8.591 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.593 -4.211 -7.949 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.537 -4.860 -10.133 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.876 -3.266 -10.777 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.313 -3.632 -10.508 1.00 0.74 H new ATOM 0 HD3 LYS A 41 137.024 -5.182 -9.742 1.00 0.74 H new ATOM 0 HE2 LYS A 41 136.032 -4.516 -12.557 1.00 0.71 H new ATOM 0 HE3 LYS A 41 137.579 -5.282 -12.252 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 136.421 -7.184 -12.279 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 135.862 -6.756 -10.734 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 134.925 -6.400 -12.104 1.00 1.56 H new ATOM 632 N ALA A 42 133.524 -3.702 -6.012 1.00 0.21 N ATOM 633 CA ALA A 42 133.367 -3.514 -4.538 1.00 0.20 C ATOM 634 C ALA A 42 134.664 -3.019 -3.889 1.00 0.18 C ATOM 635 O ALA A 42 134.631 -2.211 -2.982 1.00 0.18 O ATOM 636 CB ALA A 42 132.955 -4.844 -3.900 1.00 0.21 C ATOM 0 H ALA A 42 133.456 -4.669 -6.328 1.00 0.21 H new ATOM 0 HA ALA A 42 132.599 -2.758 -4.373 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.839 -4.711 -2.824 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.009 -5.176 -4.328 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.723 -5.593 -4.093 1.00 0.21 H new ATOM 642 N TYR A 43 135.800 -3.519 -4.293 1.00 0.19 N ATOM 643 CA TYR A 43 137.062 -3.087 -3.626 1.00 0.18 C ATOM 644 C TYR A 43 137.271 -1.576 -3.784 1.00 0.17 C ATOM 645 O TYR A 43 138.015 -0.970 -3.039 1.00 0.17 O ATOM 646 CB TYR A 43 138.263 -3.875 -4.166 1.00 0.20 C ATOM 647 CG TYR A 43 138.765 -3.311 -5.472 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.560 -2.162 -5.465 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.472 -3.954 -6.678 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.063 -1.652 -6.663 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.973 -3.441 -7.878 1.00 0.28 C ATOM 652 CZ TYR A 43 139.769 -2.291 -7.873 1.00 0.28 C ATOM 653 OH TYR A 43 140.267 -1.789 -9.058 1.00 0.32 O ATOM 0 H TYR A 43 135.909 -4.199 -5.046 1.00 0.19 H new ATOM 0 HA TYR A 43 136.976 -3.302 -2.561 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.068 -3.859 -3.431 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.979 -4.918 -4.306 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.786 -1.668 -4.532 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.861 -4.844 -6.683 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.679 -0.765 -6.656 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.745 -3.934 -8.811 1.00 0.28 H new ATOM 0 HH TYR A 43 139.969 -2.352 -9.803 1.00 0.32 H new ATOM 663 N VAL A 44 136.604 -0.953 -4.715 1.00 0.18 N ATOM 664 CA VAL A 44 136.757 0.524 -4.862 1.00 0.18 C ATOM 665 C VAL A 44 135.871 1.186 -3.797 1.00 0.17 C ATOM 666 O VAL A 44 136.165 2.244 -3.271 1.00 0.18 O ATOM 667 CB VAL A 44 136.327 0.961 -6.267 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.708 2.431 -6.491 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.038 0.085 -7.305 1.00 0.24 C ATOM 0 H VAL A 44 135.965 -1.396 -5.375 1.00 0.18 H new ATOM 0 HA VAL A 44 137.797 0.820 -4.727 1.00 0.18 H new ATOM 0 HB VAL A 44 135.247 0.851 -6.369 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.401 2.738 -7.491 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.207 3.054 -5.750 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.787 2.546 -6.392 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.736 0.391 -8.307 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.117 0.199 -7.200 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.767 -0.959 -7.147 1.00 0.24 H new ATOM 679 N VAL A 45 134.789 0.522 -3.467 1.00 0.17 N ATOM 680 CA VAL A 45 133.855 1.042 -2.428 1.00 0.17 C ATOM 681 C VAL A 45 134.462 0.752 -1.053 1.00 0.16 C ATOM 682 O VAL A 45 134.422 1.575 -0.161 1.00 0.16 O ATOM 683 CB VAL A 45 132.495 0.350 -2.551 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.602 0.770 -1.381 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.828 0.757 -3.872 1.00 0.20 C ATOM 0 H VAL A 45 134.513 -0.369 -3.881 1.00 0.17 H new ATOM 0 HA VAL A 45 133.709 2.114 -2.559 1.00 0.17 H new ATOM 0 HB VAL A 45 132.636 -0.731 -2.534 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.633 0.278 -1.468 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.073 0.481 -0.442 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.463 1.851 -1.399 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.860 0.263 -3.958 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.687 1.838 -3.891 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.462 0.459 -4.707 1.00 0.20 H new ATOM 695 N LEU A 46 135.066 -0.397 -0.888 1.00 0.17 N ATOM 696 CA LEU A 46 135.716 -0.705 0.415 1.00 0.18 C ATOM 697 C LEU A 46 136.761 0.381 0.654 1.00 0.17 C ATOM 698 O LEU A 46 136.983 0.821 1.762 1.00 0.18 O ATOM 699 CB LEU A 46 136.392 -2.086 0.342 1.00 0.22 C ATOM 700 CG LEU A 46 137.298 -2.315 1.564 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.507 -2.109 2.861 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.846 -3.747 1.523 1.00 0.35 C ATOM 0 H LEU A 46 135.136 -1.129 -1.595 1.00 0.17 H new ATOM 0 HA LEU A 46 134.988 -0.728 1.226 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.632 -2.866 0.296 1.00 0.22 H new ATOM 0 HB3 LEU A 46 136.981 -2.160 -0.572 1.00 0.22 H new ATOM 0 HG LEU A 46 138.120 -1.600 1.537 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.162 -2.275 3.717 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.119 -1.091 2.893 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.677 -2.815 2.897 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.489 -3.915 2.387 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.017 -4.455 1.544 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.422 -3.890 0.609 1.00 0.35 H new ATOM 714 N GLY A 47 137.395 0.814 -0.400 1.00 0.17 N ATOM 715 CA GLY A 47 138.433 1.876 -0.288 1.00 0.18 C ATOM 716 C GLY A 47 137.839 3.128 0.355 1.00 0.18 C ATOM 717 O GLY A 47 138.447 3.743 1.208 1.00 0.18 O ATOM 0 H GLY A 47 137.235 0.472 -1.348 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.271 1.515 0.308 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.825 2.117 -1.276 1.00 0.18 H new ATOM 721 N GLN A 48 136.659 3.518 -0.046 1.00 0.17 N ATOM 722 CA GLN A 48 136.045 4.741 0.547 1.00 0.18 C ATOM 723 C GLN A 48 135.880 4.544 2.061 1.00 0.17 C ATOM 724 O GLN A 48 136.159 5.429 2.845 1.00 0.18 O ATOM 725 CB GLN A 48 134.678 4.982 -0.102 1.00 0.19 C ATOM 726 CG GLN A 48 134.070 6.285 0.427 1.00 0.22 C ATOM 727 CD GLN A 48 134.930 7.468 -0.023 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.958 7.807 -1.189 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.649 8.105 0.859 1.00 1.09 N ATOM 0 H GLN A 48 136.097 3.046 -0.754 1.00 0.17 H new ATOM 0 HA GLN A 48 136.686 5.604 0.367 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.785 5.034 -1.186 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.012 4.146 0.113 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.051 6.400 0.057 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.012 6.257 1.515 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.625 7.820 1.838 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.235 8.888 0.570 1.00 1.09 H new ATOM 738 N PHE A 49 135.453 3.386 2.478 1.00 0.17 N ATOM 739 CA PHE A 49 135.290 3.124 3.939 1.00 0.17 C ATOM 740 C PHE A 49 136.649 3.292 4.621 1.00 0.18 C ATOM 741 O PHE A 49 136.755 3.823 5.709 1.00 0.19 O ATOM 742 CB PHE A 49 134.776 1.694 4.129 1.00 0.17 C ATOM 743 CG PHE A 49 134.683 1.361 5.602 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.718 1.981 6.402 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.553 0.417 6.163 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.621 1.659 7.760 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.458 0.097 7.522 1.00 0.31 C ATOM 748 CZ PHE A 49 134.492 0.718 8.320 1.00 0.26 C ATOM 0 H PHE A 49 135.208 2.605 1.869 1.00 0.17 H new ATOM 0 HA PHE A 49 134.578 3.822 4.379 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.797 1.587 3.663 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.444 0.991 3.632 1.00 0.17 H new ATOM 0 HD1 PHE A 49 133.047 2.709 5.971 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.298 -0.064 5.546 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.874 2.137 8.376 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.130 -0.629 7.954 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.418 0.471 9.369 1.00 0.26 H new ATOM 758 N LEU A 50 137.678 2.833 3.985 1.00 0.19 N ATOM 759 CA LEU A 50 139.036 2.955 4.581 1.00 0.21 C ATOM 760 C LEU A 50 139.452 4.437 4.587 1.00 0.21 C ATOM 761 O LEU A 50 140.062 4.914 5.523 1.00 0.23 O ATOM 762 CB LEU A 50 140.011 2.108 3.753 1.00 0.23 C ATOM 763 CG LEU A 50 139.563 0.632 3.787 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.395 -0.191 2.790 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.729 0.055 5.205 1.00 0.28 C ATOM 0 H LEU A 50 137.643 2.376 3.074 1.00 0.19 H new ATOM 0 HA LEU A 50 139.043 2.594 5.609 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.039 2.467 2.724 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.021 2.202 4.152 1.00 0.23 H new ATOM 0 HG LEU A 50 138.511 0.580 3.507 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.073 -1.232 2.820 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.253 0.204 1.784 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.450 -0.130 3.058 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.409 -0.987 5.214 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.776 0.116 5.502 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.120 0.627 5.904 1.00 0.28 H new ATOM 777 N VAL A 51 139.140 5.159 3.547 1.00 0.21 N ATOM 778 CA VAL A 51 139.526 6.606 3.479 1.00 0.23 C ATOM 779 C VAL A 51 138.748 7.433 4.523 1.00 0.23 C ATOM 780 O VAL A 51 139.171 8.504 4.915 1.00 0.24 O ATOM 781 CB VAL A 51 139.232 7.140 2.070 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.352 8.669 2.049 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.238 6.542 1.085 1.00 0.27 C ATOM 0 H VAL A 51 138.631 4.811 2.734 1.00 0.21 H new ATOM 0 HA VAL A 51 140.590 6.697 3.697 1.00 0.23 H new ATOM 0 HB VAL A 51 138.218 6.858 1.786 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.141 9.037 1.045 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.637 9.100 2.750 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.363 8.959 2.337 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.033 6.918 0.083 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.248 6.825 1.380 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.150 5.456 1.090 1.00 0.27 H new ATOM 793 N LEU A 52 137.613 6.957 4.961 1.00 0.22 N ATOM 794 CA LEU A 52 136.811 7.737 5.965 1.00 0.23 C ATOM 795 C LEU A 52 137.215 7.334 7.387 1.00 0.23 C ATOM 796 O LEU A 52 136.507 7.607 8.336 1.00 0.24 O ATOM 797 CB LEU A 52 135.314 7.481 5.765 1.00 0.24 C ATOM 798 CG LEU A 52 134.859 8.009 4.396 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.373 7.685 4.210 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.070 9.536 4.311 1.00 0.27 C ATOM 0 H LEU A 52 137.204 6.068 4.673 1.00 0.22 H new ATOM 0 HA LEU A 52 137.012 8.798 5.820 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.108 6.413 5.837 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.746 7.969 6.557 1.00 0.24 H new ATOM 0 HG LEU A 52 135.448 7.533 3.612 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.038 8.055 3.241 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.227 6.606 4.256 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.795 8.163 5.001 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.743 9.895 3.335 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.489 10.028 5.092 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.127 9.765 4.446 1.00 0.27 H new ATOM 812 N LYS A 53 138.341 6.697 7.549 1.00 0.22 N ATOM 813 CA LYS A 53 138.782 6.294 8.915 1.00 0.23 C ATOM 814 C LYS A 53 137.675 5.511 9.623 1.00 0.24 C ATOM 815 O LYS A 53 137.567 5.532 10.833 1.00 0.30 O ATOM 816 CB LYS A 53 139.133 7.541 9.729 1.00 0.29 C ATOM 817 CG LYS A 53 140.417 8.161 9.175 1.00 0.38 C ATOM 818 CD LYS A 53 140.839 9.350 10.048 1.00 0.49 C ATOM 819 CE LYS A 53 139.779 10.458 9.985 1.00 0.90 C ATOM 820 NZ LYS A 53 138.706 10.179 10.983 1.00 1.70 N ATOM 0 H LYS A 53 138.976 6.437 6.794 1.00 0.22 H new ATOM 0 HA LYS A 53 139.661 5.656 8.827 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.317 8.262 9.681 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.265 7.279 10.779 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.211 7.415 9.152 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.259 8.490 8.148 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.973 9.024 11.079 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.800 9.737 9.708 1.00 0.49 H new ATOM 0 HE2 LYS A 53 140.237 11.426 10.189 1.00 0.90 H new ATOM 0 HE3 LYS A 53 139.353 10.512 8.983 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 137.818 9.962 10.487 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 138.981 9.367 11.571 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 138.569 11.014 11.588 1.00 1.70 H new ATOM 834 N LYS A 54 136.859 4.810 8.875 1.00 0.22 N ATOM 835 CA LYS A 54 135.760 3.998 9.476 1.00 0.25 C ATOM 836 C LYS A 54 134.804 4.897 10.267 1.00 0.27 C ATOM 837 O LYS A 54 134.050 4.425 11.096 1.00 0.33 O ATOM 838 CB LYS A 54 136.356 2.929 10.400 1.00 0.35 C ATOM 839 CG LYS A 54 137.434 2.152 9.640 1.00 0.67 C ATOM 840 CD LYS A 54 137.811 0.884 10.415 1.00 0.83 C ATOM 841 CE LYS A 54 138.430 1.255 11.767 1.00 1.41 C ATOM 842 NZ LYS A 54 139.105 0.058 12.347 1.00 2.24 N ATOM 0 H LYS A 54 136.910 4.767 7.857 1.00 0.22 H new ATOM 0 HA LYS A 54 135.200 3.514 8.676 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.784 3.396 11.287 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.575 2.250 10.742 1.00 0.35 H new ATOM 0 HG2 LYS A 54 137.071 1.887 8.647 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.315 2.778 9.500 1.00 0.67 H new ATOM 0 HD2 LYS A 54 136.926 0.266 10.569 1.00 0.83 H new ATOM 0 HD3 LYS A 54 138.517 0.290 9.834 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.148 2.066 11.641 1.00 1.41 H new ATOM 0 HE3 LYS A 54 137.658 1.616 12.446 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 139.526 0.307 13.265 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 138.408 -0.703 12.481 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.852 -0.267 11.700 1.00 2.24 H new ATOM 856 N ASP A 55 134.798 6.177 10.013 1.00 0.29 N ATOM 857 CA ASP A 55 133.850 7.060 10.751 1.00 0.39 C ATOM 858 C ASP A 55 132.430 6.694 10.292 1.00 0.37 C ATOM 859 O ASP A 55 132.092 6.812 9.131 1.00 0.37 O ATOM 860 CB ASP A 55 134.163 8.521 10.427 1.00 0.46 C ATOM 861 CG ASP A 55 133.217 9.439 11.202 1.00 1.18 C ATOM 862 OD1 ASP A 55 132.053 9.094 11.322 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.671 10.475 11.658 1.00 1.55 O ATOM 0 H ASP A 55 135.400 6.645 9.336 1.00 0.29 H new ATOM 0 HA ASP A 55 133.940 6.926 11.829 1.00 0.39 H new ATOM 0 HB2 ASP A 55 135.197 8.747 10.687 1.00 0.46 H new ATOM 0 HB3 ASP A 55 134.058 8.696 9.356 1.00 0.46 H new ATOM 868 N GLU A 56 131.619 6.197 11.187 1.00 0.38 N ATOM 869 CA GLU A 56 130.239 5.752 10.816 1.00 0.37 C ATOM 870 C GLU A 56 129.355 6.893 10.288 1.00 0.38 C ATOM 871 O GLU A 56 128.596 6.708 9.362 1.00 0.37 O ATOM 872 CB GLU A 56 129.576 5.135 12.049 1.00 0.39 C ATOM 873 CG GLU A 56 128.220 4.542 11.663 1.00 0.41 C ATOM 874 CD GLU A 56 127.616 3.830 12.873 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.320 3.676 13.858 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.461 3.447 12.794 1.00 0.85 O ATOM 0 H GLU A 56 131.855 6.078 12.172 1.00 0.38 H new ATOM 0 HA GLU A 56 130.337 5.028 10.008 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.217 4.359 12.468 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.446 5.893 12.821 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.550 5.330 11.319 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.339 3.841 10.836 1.00 0.41 H new ATOM 883 N ASP A 57 129.424 8.061 10.859 1.00 0.40 N ATOM 884 CA ASP A 57 128.554 9.172 10.366 1.00 0.41 C ATOM 885 C ASP A 57 129.011 9.634 8.981 1.00 0.40 C ATOM 886 O ASP A 57 128.203 9.917 8.118 1.00 0.40 O ATOM 887 CB ASP A 57 128.620 10.345 11.349 1.00 0.45 C ATOM 888 CG ASP A 57 127.885 9.975 12.640 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.048 9.089 12.589 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.172 10.585 13.657 1.00 0.73 O ATOM 0 H ASP A 57 130.038 8.297 11.639 1.00 0.40 H new ATOM 0 HA ASP A 57 127.528 8.812 10.292 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.659 10.591 11.568 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.169 11.232 10.903 1.00 0.45 H new ATOM 895 N LEU A 58 130.282 9.706 8.756 1.00 0.40 N ATOM 896 CA LEU A 58 130.750 10.147 7.412 1.00 0.40 C ATOM 897 C LEU A 58 130.459 9.048 6.387 1.00 0.37 C ATOM 898 O LEU A 58 130.041 9.317 5.278 1.00 0.38 O ATOM 899 CB LEU A 58 132.252 10.429 7.425 1.00 0.40 C ATOM 900 CG LEU A 58 132.588 11.532 8.438 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.100 11.782 8.413 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.841 12.830 8.081 1.00 0.55 C ATOM 0 H LEU A 58 131.015 9.484 9.430 1.00 0.40 H new ATOM 0 HA LEU A 58 130.222 11.063 7.146 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.796 9.519 7.677 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.579 10.730 6.430 1.00 0.40 H new ATOM 0 HG LEU A 58 132.278 11.217 9.434 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.351 12.564 9.129 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.625 10.864 8.679 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.401 12.095 7.413 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.088 13.604 8.808 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.138 13.159 7.085 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.766 12.648 8.097 1.00 0.55 H new ATOM 914 N PHE A 59 130.657 7.808 6.751 1.00 0.36 N ATOM 915 CA PHE A 59 130.366 6.705 5.793 1.00 0.35 C ATOM 916 C PHE A 59 128.870 6.676 5.487 1.00 0.35 C ATOM 917 O PHE A 59 128.461 6.630 4.344 1.00 0.35 O ATOM 918 CB PHE A 59 130.803 5.360 6.380 1.00 0.34 C ATOM 919 CG PHE A 59 130.423 4.245 5.430 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.309 3.848 4.419 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.188 3.598 5.570 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.959 2.806 3.548 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.839 2.558 4.699 1.00 0.38 C ATOM 924 CZ PHE A 59 129.724 2.162 3.690 1.00 0.36 C ATOM 0 H PHE A 59 131.005 7.514 7.664 1.00 0.36 H new ATOM 0 HA PHE A 59 130.922 6.880 4.872 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.880 5.357 6.548 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.329 5.203 7.349 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.262 4.345 4.311 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.505 3.901 6.350 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.641 2.501 2.769 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.886 2.061 4.806 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.454 1.359 3.020 1.00 0.36 H new ATOM 934 N ARG A 60 128.044 6.691 6.504 1.00 0.37 N ATOM 935 CA ARG A 60 126.576 6.649 6.261 1.00 0.38 C ATOM 936 C ARG A 60 126.148 7.880 5.464 1.00 0.39 C ATOM 937 O ARG A 60 125.401 7.780 4.509 1.00 0.39 O ATOM 938 CB ARG A 60 125.820 6.615 7.594 1.00 0.42 C ATOM 939 CG ARG A 60 126.034 5.259 8.277 1.00 0.43 C ATOM 940 CD ARG A 60 125.118 5.147 9.498 1.00 0.50 C ATOM 941 NE ARG A 60 125.387 6.261 10.449 1.00 1.31 N ATOM 942 CZ ARG A 60 124.495 6.569 11.353 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.363 5.920 11.397 1.00 1.16 N ATOM 944 NH2 ARG A 60 124.731 7.528 12.206 1.00 2.64 N ATOM 0 H ARG A 60 128.324 6.730 7.484 1.00 0.37 H new ATOM 0 HA ARG A 60 126.340 5.748 5.694 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.170 7.418 8.242 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.757 6.783 7.424 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.823 4.451 7.577 1.00 0.43 H new ATOM 0 HG3 ARG A 60 127.076 5.154 8.581 1.00 0.43 H new ATOM 0 HD2 ARG A 60 124.075 5.173 9.182 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.277 4.190 9.994 1.00 0.50 H new ATOM 0 HE ARG A 60 126.263 6.781 10.395 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.176 5.174 10.727 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.665 6.159 12.102 1.00 1.16 H new ATOM 0 HH21 ARG A 60 125.613 8.039 12.168 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.033 7.767 12.911 1.00 2.64 H new ATOM 958 N GLU A 61 126.618 9.042 5.833 1.00 0.41 N ATOM 959 CA GLU A 61 126.240 10.267 5.078 1.00 0.44 C ATOM 960 C GLU A 61 126.790 10.155 3.658 1.00 0.42 C ATOM 961 O GLU A 61 126.144 10.531 2.699 1.00 0.42 O ATOM 962 CB GLU A 61 126.831 11.503 5.762 1.00 0.48 C ATOM 963 CG GLU A 61 126.362 12.762 5.031 1.00 1.29 C ATOM 964 CD GLU A 61 126.888 14.003 5.754 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.485 13.844 6.805 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.683 15.092 5.242 1.00 2.32 O ATOM 0 H GLU A 61 127.246 9.193 6.623 1.00 0.41 H new ATOM 0 HA GLU A 61 125.155 10.364 5.052 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.520 11.538 6.806 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.920 11.450 5.756 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.719 12.751 4.001 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.273 12.787 4.991 1.00 1.29 H new ATOM 973 N TRP A 62 127.974 9.635 3.514 1.00 0.40 N ATOM 974 CA TRP A 62 128.558 9.494 2.150 1.00 0.38 C ATOM 975 C TRP A 62 127.765 8.474 1.330 1.00 0.36 C ATOM 976 O TRP A 62 127.420 8.716 0.195 1.00 0.36 O ATOM 977 CB TRP A 62 130.018 9.025 2.245 1.00 0.38 C ATOM 978 CG TRP A 62 130.517 8.708 0.867 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.056 9.600 0.007 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.501 7.425 0.173 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.376 8.948 -1.173 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.053 7.604 -1.118 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.067 6.137 0.536 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.170 6.540 -2.017 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.184 5.067 -0.367 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.734 5.268 -1.639 1.00 0.32 C ATOM 0 H TRP A 62 128.563 9.302 4.277 1.00 0.40 H new ATOM 0 HA TRP A 62 128.513 10.467 1.661 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.634 9.801 2.700 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.090 8.145 2.884 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.212 10.650 0.207 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.798 9.403 -1.983 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.641 5.970 1.514 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.595 6.700 -2.997 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.847 4.082 -0.078 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.821 4.440 -2.327 1.00 0.32 H new ATOM 997 N LEU A 63 127.476 7.337 1.893 1.00 0.34 N ATOM 998 CA LEU A 63 126.716 6.305 1.137 1.00 0.32 C ATOM 999 C LEU A 63 125.302 6.812 0.859 1.00 0.33 C ATOM 1000 O LEU A 63 124.822 6.770 -0.256 1.00 0.32 O ATOM 1001 CB LEU A 63 126.671 5.014 1.966 1.00 0.31 C ATOM 1002 CG LEU A 63 125.861 3.931 1.240 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.491 3.611 -0.124 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.841 2.666 2.107 1.00 0.32 C ATOM 0 H LEU A 63 127.733 7.077 2.845 1.00 0.34 H new ATOM 0 HA LEU A 63 127.205 6.102 0.184 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.685 4.657 2.147 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.226 5.217 2.940 1.00 0.31 H new ATOM 0 HG LEU A 63 124.845 4.291 1.075 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.904 2.841 -0.624 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.507 4.512 -0.738 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.510 3.253 0.021 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.268 1.888 1.602 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.862 2.319 2.268 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.379 2.891 3.068 1.00 0.32 H new ATOM 1016 N LYS A 64 124.639 7.305 1.863 1.00 0.35 N ATOM 1017 CA LYS A 64 123.263 7.833 1.663 1.00 0.37 C ATOM 1018 C LYS A 64 123.287 9.002 0.680 1.00 0.39 C ATOM 1019 O LYS A 64 122.515 9.059 -0.256 1.00 0.39 O ATOM 1020 CB LYS A 64 122.691 8.303 2.998 1.00 0.41 C ATOM 1021 CG LYS A 64 121.278 8.846 2.777 1.00 0.43 C ATOM 1022 CD LYS A 64 120.574 9.030 4.125 1.00 0.68 C ATOM 1023 CE LYS A 64 121.341 10.041 4.982 1.00 1.25 C ATOM 1024 NZ LYS A 64 120.472 10.506 6.101 1.00 2.11 N ATOM 0 H LYS A 64 124.991 7.366 2.818 1.00 0.35 H new ATOM 0 HA LYS A 64 122.636 7.038 1.258 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.669 7.477 3.709 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.328 9.076 3.428 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.323 9.798 2.248 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.709 8.159 2.150 1.00 0.43 H new ATOM 0 HD2 LYS A 64 119.552 9.376 3.967 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.510 8.074 4.645 1.00 0.68 H new ATOM 0 HE2 LYS A 64 122.248 9.584 5.378 1.00 1.25 H new ATOM 0 HE3 LYS A 64 121.651 10.889 4.372 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 120.993 11.193 6.683 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 119.619 10.957 5.714 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 120.197 9.693 6.688 1.00 2.11 H new ATOM 1038 N ASP A 65 124.167 9.939 0.894 1.00 0.41 N ATOM 1039 CA ASP A 65 124.246 11.114 -0.018 1.00 0.45 C ATOM 1040 C ASP A 65 124.769 10.674 -1.381 1.00 0.43 C ATOM 1041 O ASP A 65 124.524 11.313 -2.385 1.00 0.46 O ATOM 1042 CB ASP A 65 125.184 12.168 0.573 1.00 0.49 C ATOM 1043 CG ASP A 65 125.131 13.434 -0.285 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.558 13.370 -1.426 1.00 1.90 O ATOM 1045 OD2 ASP A 65 124.667 14.445 0.214 1.00 1.42 O ATOM 0 H ASP A 65 124.837 9.942 1.663 1.00 0.41 H new ATOM 0 HA ASP A 65 123.250 11.542 -0.133 1.00 0.45 H new ATOM 0 HB2 ASP A 65 124.892 12.397 1.598 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.203 11.783 0.611 1.00 0.49 H new ATOM 1050 N THR A 66 125.524 9.609 -1.427 1.00 0.40 N ATOM 1051 CA THR A 66 126.097 9.157 -2.724 1.00 0.39 C ATOM 1052 C THR A 66 125.059 8.396 -3.556 1.00 0.39 C ATOM 1053 O THR A 66 125.100 8.460 -4.769 1.00 0.41 O ATOM 1054 CB THR A 66 127.309 8.252 -2.458 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.369 9.033 -1.922 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.776 7.597 -3.762 1.00 0.39 C ATOM 0 H THR A 66 125.768 9.033 -0.621 1.00 0.40 H new ATOM 0 HA THR A 66 126.404 10.037 -3.289 1.00 0.39 H new ATOM 0 HB THR A 66 127.023 7.474 -1.750 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.551 8.750 -1.002 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.636 6.958 -3.561 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.967 6.997 -4.178 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.058 8.370 -4.477 1.00 0.39 H new ATOM 1064 N CYS A 67 124.154 7.642 -2.958 1.00 0.37 N ATOM 1065 CA CYS A 67 123.171 6.861 -3.788 1.00 0.38 C ATOM 1066 C CYS A 67 121.737 6.984 -3.260 1.00 0.37 C ATOM 1067 O CYS A 67 120.788 6.756 -3.983 1.00 0.40 O ATOM 1068 CB CYS A 67 123.576 5.389 -3.769 1.00 0.37 C ATOM 1069 SG CYS A 67 123.766 4.836 -2.056 1.00 0.36 S ATOM 0 H CYS A 67 124.056 7.536 -1.948 1.00 0.37 H new ATOM 0 HA CYS A 67 123.190 7.267 -4.799 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.821 4.787 -4.275 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.511 5.251 -4.312 1.00 0.37 H new ATOM 0 HG CYS A 67 124.446 5.720 -1.388 1.00 0.36 H new ATOM 1075 N GLY A 68 121.568 7.329 -2.010 1.00 0.36 N ATOM 1076 CA GLY A 68 120.187 7.453 -1.438 1.00 0.36 C ATOM 1077 C GLY A 68 119.866 6.216 -0.591 1.00 0.34 C ATOM 1078 O GLY A 68 118.734 6.001 -0.204 1.00 0.34 O ATOM 0 H GLY A 68 122.325 7.531 -1.357 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.115 8.353 -0.827 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.458 7.555 -2.242 1.00 0.36 H new ATOM 1082 N ALA A 69 120.845 5.405 -0.288 1.00 0.33 N ATOM 1083 CA ALA A 69 120.573 4.195 0.544 1.00 0.32 C ATOM 1084 C ALA A 69 119.788 4.608 1.789 1.00 0.31 C ATOM 1085 O ALA A 69 119.866 5.736 2.234 1.00 0.32 O ATOM 1086 CB ALA A 69 121.899 3.562 0.972 1.00 0.32 C ATOM 0 H ALA A 69 121.815 5.526 -0.578 1.00 0.33 H new ATOM 0 HA ALA A 69 119.995 3.475 -0.036 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.701 2.679 1.579 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.467 3.274 0.087 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.474 4.281 1.555 1.00 0.32 H new ATOM 1092 N ASN A 70 119.019 3.714 2.355 1.00 0.30 N ATOM 1093 CA ASN A 70 118.224 4.081 3.564 1.00 0.30 C ATOM 1094 C ASN A 70 119.062 3.855 4.822 1.00 0.30 C ATOM 1095 O ASN A 70 120.129 3.275 4.779 1.00 0.29 O ATOM 1096 CB ASN A 70 116.970 3.204 3.637 1.00 0.30 C ATOM 1097 CG ASN A 70 116.000 3.589 2.518 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.717 2.795 1.644 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.470 4.783 2.510 1.00 1.77 N ATOM 0 H ASN A 70 118.908 2.752 2.035 1.00 0.30 H new ATOM 0 HA ASN A 70 117.939 5.131 3.498 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.245 2.153 3.547 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.487 3.325 4.607 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.819 5.047 1.770 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.707 5.451 3.244 1.00 1.77 H new ATOM 1106 N ALA A 71 118.583 4.320 5.940 1.00 0.32 N ATOM 1107 CA ALA A 71 119.335 4.152 7.213 1.00 0.34 C ATOM 1108 C ALA A 71 119.537 2.667 7.516 1.00 0.32 C ATOM 1109 O ALA A 71 120.534 2.276 8.089 1.00 0.32 O ATOM 1110 CB ALA A 71 118.547 4.796 8.352 1.00 0.39 C ATOM 0 H ALA A 71 117.695 4.814 6.027 1.00 0.32 H new ATOM 0 HA ALA A 71 120.309 4.631 7.116 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.094 4.675 9.287 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.411 5.858 8.146 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.572 4.315 8.437 1.00 0.39 H new ATOM 1116 N LYS A 72 118.605 1.832 7.148 1.00 0.30 N ATOM 1117 CA LYS A 72 118.773 0.380 7.439 1.00 0.29 C ATOM 1118 C LYS A 72 119.835 -0.215 6.512 1.00 0.27 C ATOM 1119 O LYS A 72 120.632 -1.044 6.909 1.00 0.27 O ATOM 1120 CB LYS A 72 117.437 -0.350 7.250 1.00 0.29 C ATOM 1121 CG LYS A 72 117.063 -0.386 5.765 1.00 1.18 C ATOM 1122 CD LYS A 72 115.633 -0.911 5.616 1.00 1.29 C ATOM 1123 CE LYS A 72 115.337 -1.183 4.140 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.018 -1.866 4.017 1.00 2.58 N ATOM 0 H LYS A 72 117.744 2.087 6.664 1.00 0.30 H new ATOM 0 HA LYS A 72 119.097 0.258 8.473 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.510 -1.365 7.639 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.655 0.154 7.818 1.00 0.29 H new ATOM 0 HG2 LYS A 72 117.143 0.612 5.334 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.756 -1.026 5.219 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.508 -1.825 6.197 1.00 1.29 H new ATOM 0 HD3 LYS A 72 114.925 -0.183 6.011 1.00 1.29 H new ATOM 0 HE2 LYS A 72 115.328 -0.247 3.581 1.00 2.11 H new ATOM 0 HE3 LYS A 72 116.122 -1.804 3.709 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 113.815 -2.052 3.014 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.043 -2.766 4.537 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 113.274 -1.258 4.414 1.00 2.58 H new ATOM 1138 N GLN A 73 119.841 0.195 5.269 1.00 0.26 N ATOM 1139 CA GLN A 73 120.830 -0.345 4.293 1.00 0.25 C ATOM 1140 C GLN A 73 122.244 0.069 4.682 1.00 0.25 C ATOM 1141 O GLN A 73 123.189 -0.678 4.518 1.00 0.25 O ATOM 1142 CB GLN A 73 120.519 0.195 2.895 1.00 0.26 C ATOM 1143 CG GLN A 73 119.225 -0.434 2.375 1.00 0.29 C ATOM 1144 CD GLN A 73 118.796 0.270 1.087 1.00 1.24 C ATOM 1145 OE1 GLN A 73 119.188 1.392 0.833 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.004 -0.347 0.254 1.00 1.88 N ATOM 0 H GLN A 73 119.196 0.887 4.887 1.00 0.26 H new ATOM 0 HA GLN A 73 120.762 -1.433 4.297 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.420 1.280 2.928 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.342 -0.030 2.217 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.375 -1.497 2.188 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.440 -0.350 3.126 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.674 -1.289 0.466 1.00 1.88 H new ATOM 0 HE22 GLN A 73 117.714 0.112 -0.609 1.00 1.88 H new ATOM 1155 N SER A 74 122.404 1.260 5.183 1.00 0.26 N ATOM 1156 CA SER A 74 123.761 1.721 5.562 1.00 0.27 C ATOM 1157 C SER A 74 124.278 0.904 6.746 1.00 0.26 C ATOM 1158 O SER A 74 125.451 0.600 6.831 1.00 0.26 O ATOM 1159 CB SER A 74 123.702 3.200 5.944 1.00 0.30 C ATOM 1160 OG SER A 74 123.387 3.314 7.325 1.00 1.36 O ATOM 0 H SER A 74 121.654 1.931 5.345 1.00 0.26 H new ATOM 0 HA SER A 74 124.437 1.587 4.718 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.658 3.680 5.736 1.00 0.30 H new ATOM 0 HB3 SER A 74 122.951 3.713 5.344 1.00 0.30 H new ATOM 0 HG SER A 74 122.482 2.972 7.484 1.00 1.36 H new ATOM 1166 N ARG A 75 123.420 0.545 7.666 1.00 0.27 N ATOM 1167 CA ARG A 75 123.873 -0.248 8.843 1.00 0.28 C ATOM 1168 C ARG A 75 124.470 -1.569 8.357 1.00 0.26 C ATOM 1169 O ARG A 75 125.446 -2.046 8.902 1.00 0.27 O ATOM 1170 CB ARG A 75 122.669 -0.533 9.755 1.00 0.30 C ATOM 1171 CG ARG A 75 122.134 0.770 10.369 1.00 0.33 C ATOM 1172 CD ARG A 75 122.991 1.195 11.569 1.00 0.61 C ATOM 1173 NE ARG A 75 122.395 2.406 12.199 1.00 1.34 N ATOM 1174 CZ ARG A 75 122.739 2.746 13.411 1.00 1.81 C ATOM 1175 NH1 ARG A 75 123.571 2.000 14.087 1.00 1.88 N ATOM 1176 NH2 ARG A 75 122.249 3.830 13.950 1.00 2.80 N ATOM 0 H ARG A 75 122.425 0.768 7.651 1.00 0.27 H new ATOM 0 HA ARG A 75 124.626 0.311 9.399 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.881 -1.022 9.183 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.962 -1.221 10.548 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.135 1.559 9.617 1.00 0.33 H new ATOM 0 HG3 ARG A 75 121.100 0.632 10.685 1.00 0.33 H new ATOM 0 HD2 ARG A 75 123.047 0.384 12.295 1.00 0.61 H new ATOM 0 HD3 ARG A 75 124.011 1.404 11.246 1.00 0.61 H new ATOM 0 HE ARG A 75 121.719 2.969 11.683 1.00 1.34 H new ATOM 0 HH11 ARG A 75 123.952 1.152 13.668 1.00 1.88 H new ATOM 0 HH12 ARG A 75 123.840 2.266 15.034 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.597 4.411 13.424 1.00 2.80 H new ATOM 0 HH22 ARG A 75 122.518 4.095 14.897 1.00 2.80 H new ATOM 1190 N ASP A 76 123.894 -2.181 7.357 1.00 0.25 N ATOM 1191 CA ASP A 76 124.424 -3.487 6.869 1.00 0.24 C ATOM 1192 C ASP A 76 125.791 -3.310 6.206 1.00 0.23 C ATOM 1193 O ASP A 76 126.673 -4.126 6.380 1.00 0.23 O ATOM 1194 CB ASP A 76 123.454 -4.074 5.841 1.00 0.24 C ATOM 1195 CG ASP A 76 122.173 -4.525 6.542 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.226 -4.761 7.737 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.158 -4.623 5.871 1.00 0.39 O ATOM 0 H ASP A 76 123.077 -1.832 6.856 1.00 0.25 H new ATOM 0 HA ASP A 76 124.529 -4.155 7.724 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.221 -3.329 5.080 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.917 -4.918 5.330 1.00 0.24 H new ATOM 1202 N CYS A 77 125.988 -2.263 5.453 1.00 0.22 N ATOM 1203 CA CYS A 77 127.309 -2.065 4.793 1.00 0.22 C ATOM 1204 C CYS A 77 128.386 -1.763 5.837 1.00 0.22 C ATOM 1205 O CYS A 77 129.504 -2.224 5.727 1.00 0.21 O ATOM 1206 CB CYS A 77 127.210 -0.895 3.811 1.00 0.23 C ATOM 1207 SG CYS A 77 126.292 -1.416 2.341 1.00 0.24 S ATOM 0 H CYS A 77 125.294 -1.539 5.267 1.00 0.22 H new ATOM 0 HA CYS A 77 127.581 -2.977 4.261 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.710 -0.050 4.285 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.207 -0.558 3.529 1.00 0.23 H new ATOM 0 HG CYS A 77 126.329 -2.712 2.243 1.00 0.24 H new ATOM 1213 N PHE A 78 128.088 -0.978 6.837 1.00 0.23 N ATOM 1214 CA PHE A 78 129.141 -0.657 7.837 1.00 0.25 C ATOM 1215 C PHE A 78 129.640 -1.950 8.489 1.00 0.24 C ATOM 1216 O PHE A 78 130.807 -2.280 8.422 1.00 0.23 O ATOM 1217 CB PHE A 78 128.561 0.274 8.902 1.00 0.29 C ATOM 1218 CG PHE A 78 129.636 0.650 9.889 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.427 1.784 9.666 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.841 -0.133 11.028 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.421 2.135 10.587 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.837 0.216 11.948 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.626 1.351 11.727 1.00 0.43 C ATOM 0 H PHE A 78 127.176 -0.552 7.002 1.00 0.23 H new ATOM 0 HA PHE A 78 129.977 -0.162 7.343 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.155 1.170 8.433 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.736 -0.217 9.418 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.270 2.387 8.784 1.00 0.36 H new ATOM 0 HD2 PHE A 78 129.231 -1.008 11.199 1.00 0.38 H new ATOM 0 HE1 PHE A 78 132.029 3.011 10.417 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.996 -0.390 12.828 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.393 1.621 12.437 1.00 0.43 H new ATOM 1233 N GLY A 79 128.766 -2.683 9.123 1.00 0.25 N ATOM 1234 CA GLY A 79 129.184 -3.954 9.785 1.00 0.26 C ATOM 1235 C GLY A 79 129.764 -4.933 8.757 1.00 0.24 C ATOM 1236 O GLY A 79 130.651 -5.707 9.055 1.00 0.24 O ATOM 0 H GLY A 79 127.776 -2.456 9.212 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.927 -3.743 10.554 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.329 -4.408 10.285 1.00 0.26 H new ATOM 1240 N CYS A 80 129.267 -4.909 7.554 1.00 0.22 N ATOM 1241 CA CYS A 80 129.789 -5.848 6.519 1.00 0.22 C ATOM 1242 C CYS A 80 131.207 -5.450 6.107 1.00 0.22 C ATOM 1243 O CYS A 80 132.112 -6.261 6.118 1.00 0.23 O ATOM 1244 CB CYS A 80 128.880 -5.813 5.293 1.00 0.22 C ATOM 1245 SG CYS A 80 129.391 -7.097 4.123 1.00 0.25 S ATOM 0 H CYS A 80 128.525 -4.283 7.241 1.00 0.22 H new ATOM 0 HA CYS A 80 129.809 -6.855 6.937 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.843 -5.970 5.591 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.930 -4.833 4.818 1.00 0.22 H new ATOM 0 HG CYS A 80 130.644 -7.386 4.316 1.00 0.25 H new ATOM 1251 N LEU A 81 131.419 -4.211 5.761 1.00 0.21 N ATOM 1252 CA LEU A 81 132.796 -3.799 5.374 1.00 0.21 C ATOM 1253 C LEU A 81 133.673 -3.797 6.627 1.00 0.22 C ATOM 1254 O LEU A 81 134.818 -4.204 6.599 1.00 0.22 O ATOM 1255 CB LEU A 81 132.759 -2.386 4.789 1.00 0.22 C ATOM 1256 CG LEU A 81 131.854 -2.352 3.551 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.847 -0.933 2.975 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.352 -3.350 2.489 1.00 0.28 C ATOM 0 H LEU A 81 130.711 -3.477 5.729 1.00 0.21 H new ATOM 0 HA LEU A 81 133.196 -4.489 4.632 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.391 -1.684 5.537 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.767 -2.068 4.521 1.00 0.22 H new ATOM 0 HG LEU A 81 130.842 -2.637 3.839 1.00 0.24 H new ATOM 0 HD11 LEU A 81 131.206 -0.901 2.094 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.469 -0.238 3.725 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.861 -0.649 2.695 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.697 -3.312 1.618 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.367 -3.088 2.191 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.344 -4.358 2.905 1.00 0.28 H new ATOM 1270 N ARG A 82 133.141 -3.334 7.726 1.00 0.22 N ATOM 1271 CA ARG A 82 133.930 -3.291 8.988 1.00 0.24 C ATOM 1272 C ARG A 82 134.338 -4.705 9.406 1.00 0.25 C ATOM 1273 O ARG A 82 135.444 -4.934 9.852 1.00 0.26 O ATOM 1274 CB ARG A 82 133.077 -2.658 10.094 1.00 0.28 C ATOM 1275 CG ARG A 82 133.868 -2.602 11.428 1.00 0.33 C ATOM 1276 CD ARG A 82 133.406 -3.727 12.363 1.00 0.84 C ATOM 1277 NE ARG A 82 132.121 -3.330 13.002 1.00 1.41 N ATOM 1278 CZ ARG A 82 131.394 -4.221 13.617 1.00 1.95 C ATOM 1279 NH1 ARG A 82 131.810 -5.454 13.707 1.00 2.25 N ATOM 1280 NH2 ARG A 82 130.257 -3.873 14.152 1.00 2.73 N ATOM 0 H ARG A 82 132.187 -2.982 7.803 1.00 0.22 H new ATOM 0 HA ARG A 82 134.830 -2.698 8.827 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.778 -1.652 9.800 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.163 -3.235 10.231 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.936 -2.698 11.231 1.00 0.33 H new ATOM 0 HG3 ARG A 82 133.718 -1.635 11.908 1.00 0.33 H new ATOM 0 HD2 ARG A 82 133.277 -4.653 11.803 1.00 0.84 H new ATOM 0 HD3 ARG A 82 134.162 -3.918 13.125 1.00 0.84 H new ATOM 0 HE ARG A 82 131.809 -2.360 12.959 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.704 -5.722 13.296 1.00 2.25 H new ATOM 0 HH12 ARG A 82 131.241 -6.150 14.188 1.00 2.25 H new ATOM 0 HH21 ARG A 82 129.938 -2.906 14.089 1.00 2.73 H new ATOM 0 HH22 ARG A 82 129.686 -4.568 14.634 1.00 2.73 H new ATOM 1294 N GLU A 83 133.453 -5.654 9.275 1.00 0.25 N ATOM 1295 CA GLU A 83 133.790 -7.050 9.672 1.00 0.28 C ATOM 1296 C GLU A 83 134.812 -7.647 8.705 1.00 0.27 C ATOM 1297 O GLU A 83 135.714 -8.348 9.118 1.00 0.29 O ATOM 1298 CB GLU A 83 132.521 -7.908 9.690 1.00 0.30 C ATOM 1299 CG GLU A 83 131.679 -7.561 10.923 1.00 0.33 C ATOM 1300 CD GLU A 83 132.316 -8.181 12.171 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.000 -9.321 12.470 1.00 1.56 O ATOM 1302 OE2 GLU A 83 133.116 -7.509 12.801 1.00 1.91 O ATOM 0 H GLU A 83 132.510 -5.523 8.910 1.00 0.25 H new ATOM 0 HA GLU A 83 134.225 -7.035 10.671 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.942 -7.737 8.783 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.786 -8.965 9.704 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.611 -6.479 11.036 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.662 -7.933 10.798 1.00 0.33 H new ATOM 1309 N TRP A 84 134.716 -7.373 7.427 1.00 0.25 N ATOM 1310 CA TRP A 84 135.730 -7.930 6.491 1.00 0.25 C ATOM 1311 C TRP A 84 137.098 -7.406 6.916 1.00 0.27 C ATOM 1312 O TRP A 84 138.076 -8.126 6.951 1.00 0.28 O ATOM 1313 CB TRP A 84 135.436 -7.484 5.056 1.00 0.25 C ATOM 1314 CG TRP A 84 136.434 -8.112 4.136 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.274 -9.309 3.527 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.741 -7.615 3.721 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.393 -9.578 2.764 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.326 -8.565 2.849 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.467 -6.446 4.010 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.584 -8.366 2.288 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.737 -6.241 3.446 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.294 -7.199 2.585 1.00 0.37 C ATOM 0 H TRP A 84 133.990 -6.797 7.000 1.00 0.25 H new ATOM 0 HA TRP A 84 135.705 -9.019 6.523 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.425 -7.776 4.771 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.487 -6.398 4.982 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.411 -9.951 3.622 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.515 -10.423 2.206 1.00 0.33 H new ATOM 0 HE3 TRP A 84 138.046 -5.702 4.669 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 140.009 -9.108 1.628 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.288 -5.341 3.676 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.270 -7.035 2.152 1.00 0.37 H new ATOM 1333 N CYS A 85 137.170 -6.143 7.234 1.00 0.27 N ATOM 1334 CA CYS A 85 138.465 -5.546 7.652 1.00 0.30 C ATOM 1335 C CYS A 85 138.979 -6.262 8.901 1.00 0.33 C ATOM 1336 O CYS A 85 140.152 -6.534 9.043 1.00 0.36 O ATOM 1337 CB CYS A 85 138.232 -4.063 7.969 1.00 0.33 C ATOM 1338 SG CYS A 85 138.160 -3.120 6.425 1.00 0.33 S ATOM 0 H CYS A 85 136.381 -5.497 7.221 1.00 0.27 H new ATOM 0 HA CYS A 85 139.202 -5.649 6.856 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.303 -3.941 8.526 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.035 -3.685 8.602 1.00 0.33 H new ATOM 0 HG CYS A 85 137.960 -1.864 6.693 1.00 0.33 H new ATOM 1344 N ASP A 86 138.103 -6.571 9.804 1.00 0.34 N ATOM 1345 CA ASP A 86 138.525 -7.264 11.046 1.00 0.39 C ATOM 1346 C ASP A 86 139.174 -8.607 10.698 1.00 0.41 C ATOM 1347 O ASP A 86 140.068 -9.070 11.378 1.00 0.43 O ATOM 1348 CB ASP A 86 137.302 -7.496 11.932 1.00 0.41 C ATOM 1349 CG ASP A 86 136.815 -6.154 12.486 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.596 -5.215 12.479 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.672 -6.087 12.906 1.00 0.51 O ATOM 0 H ASP A 86 137.105 -6.373 9.737 1.00 0.34 H new ATOM 0 HA ASP A 86 139.250 -6.648 11.578 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.509 -7.975 11.358 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.554 -8.170 12.751 1.00 0.41 H new ATOM 1356 N ALA A 87 138.718 -9.252 9.654 1.00 0.41 N ATOM 1357 CA ALA A 87 139.301 -10.579 9.281 1.00 0.43 C ATOM 1358 C ALA A 87 140.436 -10.415 8.259 1.00 0.43 C ATOM 1359 O ALA A 87 141.380 -11.180 8.255 1.00 0.48 O ATOM 1360 CB ALA A 87 138.200 -11.456 8.685 1.00 0.41 C ATOM 0 H ALA A 87 137.970 -8.920 9.045 1.00 0.41 H new ATOM 0 HA ALA A 87 139.713 -11.045 10.176 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.616 -12.425 8.410 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.408 -11.596 9.421 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.790 -10.973 7.798 1.00 0.41 H new ATOM 1366 N PHE A 88 140.341 -9.449 7.372 1.00 0.40 N ATOM 1367 CA PHE A 88 141.405 -9.263 6.321 1.00 0.44 C ATOM 1368 C PHE A 88 142.219 -7.985 6.555 1.00 0.54 C ATOM 1369 O PHE A 88 143.076 -7.641 5.767 1.00 1.24 O ATOM 1370 CB PHE A 88 140.744 -9.168 4.946 1.00 0.41 C ATOM 1371 CG PHE A 88 140.078 -10.478 4.610 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.806 -11.486 3.969 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.733 -10.686 4.938 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.190 -12.701 3.656 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.117 -11.902 4.622 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.845 -12.909 3.981 1.00 0.45 C ATOM 0 H PHE A 88 139.573 -8.779 7.328 1.00 0.40 H new ATOM 0 HA PHE A 88 142.078 -10.119 6.376 1.00 0.44 H new ATOM 0 HB2 PHE A 88 140.009 -8.363 4.940 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.490 -8.924 4.190 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.844 -11.325 3.716 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.171 -9.909 5.435 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.753 -13.480 3.163 1.00 0.47 H new ATOM 0 HE2 PHE A 88 137.079 -12.063 4.873 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.369 -13.847 3.737 1.00 0.45 H new ATOM 1386 N LEU A 89 141.943 -7.261 7.604 1.00 0.39 N ATOM 1387 CA LEU A 89 142.686 -5.985 7.852 1.00 0.36 C ATOM 1388 C LEU A 89 142.904 -5.814 9.359 1.00 0.87 C ATOM 1389 O LEU A 89 142.676 -4.722 9.850 1.00 1.43 O ATOM 1390 CB LEU A 89 141.825 -4.832 7.318 1.00 0.74 C ATOM 1391 CG LEU A 89 142.652 -3.545 7.137 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.422 -3.585 5.805 1.00 1.00 C ATOM 1393 CD2 LEU A 89 141.704 -2.334 7.137 1.00 1.28 C ATOM 1394 OXT LEU A 89 143.294 -6.779 9.993 1.00 1.66 O ATOM 0 H LEU A 89 141.237 -7.494 8.302 1.00 0.39 H new ATOM 0 HA LEU A 89 143.656 -5.996 7.354 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.383 -5.119 6.364 1.00 0.74 H new ATOM 0 HB3 LEU A 89 141.002 -4.643 8.007 1.00 0.74 H new ATOM 0 HG LEU A 89 143.367 -3.464 7.956 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.001 -2.669 5.692 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.095 -4.443 5.799 1.00 1.00 H new ATOM 0 HD13 LEU A 89 142.716 -3.672 4.979 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.283 -1.419 7.009 1.00 1.28 H new ATOM 0 HD22 LEU A 89 140.991 -2.430 6.318 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.165 -2.294 8.084 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 165.445 1.586 -7.914 1.00 3.74 N ATOM 1408 CA MET B 1 164.358 1.019 -7.065 1.00 3.26 C ATOM 1409 C MET B 1 164.949 0.045 -6.048 1.00 2.28 C ATOM 1410 O MET B 1 165.921 -0.635 -6.314 1.00 2.68 O ATOM 1411 CB MET B 1 163.359 0.275 -7.950 1.00 3.75 C ATOM 1412 CG MET B 1 162.134 -0.119 -7.121 1.00 4.33 C ATOM 1413 SD MET B 1 160.939 -0.965 -8.185 1.00 5.04 S ATOM 1414 CE MET B 1 159.797 -1.482 -6.881 1.00 5.66 C ATOM 0 H1 MET B 1 165.124 1.636 -8.902 1.00 3.74 H new ATOM 0 H2 MET B 1 165.684 2.541 -7.579 1.00 3.74 H new ATOM 0 H3 MET B 1 166.286 0.977 -7.854 1.00 3.74 H new ATOM 0 HA MET B 1 163.854 1.830 -6.539 1.00 3.26 H new ATOM 0 HB2 MET B 1 163.057 0.906 -8.786 1.00 3.75 H new ATOM 0 HB3 MET B 1 163.825 -0.614 -8.374 1.00 3.75 H new ATOM 0 HG2 MET B 1 162.431 -0.770 -6.299 1.00 4.33 H new ATOM 0 HG3 MET B 1 161.680 0.767 -6.678 1.00 4.33 H new ATOM 0 HE1 MET B 1 158.966 -2.033 -7.322 1.00 5.66 H new ATOM 0 HE2 MET B 1 160.321 -2.123 -6.171 1.00 5.66 H new ATOM 0 HE3 MET B 1 159.415 -0.603 -6.362 1.00 5.66 H new ATOM 1426 N THR B 2 164.364 -0.037 -4.885 1.00 1.63 N ATOM 1427 CA THR B 2 164.882 -0.977 -3.854 1.00 1.44 C ATOM 1428 C THR B 2 163.835 -1.146 -2.750 1.00 1.17 C ATOM 1429 O THR B 2 163.363 -0.186 -2.174 1.00 1.22 O ATOM 1430 CB THR B 2 166.185 -0.423 -3.263 1.00 2.22 C ATOM 1431 OG1 THR B 2 166.744 -1.380 -2.376 1.00 2.78 O ATOM 1432 CG2 THR B 2 165.906 0.876 -2.504 1.00 3.02 C ATOM 0 H THR B 2 163.548 0.508 -4.605 1.00 1.63 H new ATOM 0 HA THR B 2 165.083 -1.947 -4.309 1.00 1.44 H new ATOM 0 HB THR B 2 166.886 -0.218 -4.072 1.00 2.22 H new ATOM 0 HG1 THR B 2 167.577 -1.029 -1.999 1.00 2.78 H new ATOM 0 HG21 THR B 2 166.837 1.262 -2.088 1.00 3.02 H new ATOM 0 HG22 THR B 2 165.481 1.612 -3.186 1.00 3.02 H new ATOM 0 HG23 THR B 2 165.201 0.681 -1.696 1.00 3.02 H new ATOM 1440 N THR B 3 163.463 -2.367 -2.459 1.00 0.96 N ATOM 1441 CA THR B 3 162.440 -2.622 -1.398 1.00 0.76 C ATOM 1442 C THR B 3 163.137 -3.080 -0.114 1.00 0.69 C ATOM 1443 O THR B 3 163.874 -4.046 -0.107 1.00 0.75 O ATOM 1444 CB THR B 3 161.484 -3.719 -1.872 1.00 0.69 C ATOM 1445 OG1 THR B 3 162.198 -4.937 -2.028 1.00 0.80 O ATOM 1446 CG2 THR B 3 160.856 -3.316 -3.208 1.00 0.76 C ATOM 0 H THR B 3 163.827 -3.204 -2.914 1.00 0.96 H new ATOM 0 HA THR B 3 161.883 -1.706 -1.202 1.00 0.76 H new ATOM 0 HB THR B 3 160.695 -3.854 -1.132 1.00 0.69 H new ATOM 0 HG1 THR B 3 162.932 -4.971 -1.379 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.176 -4.100 -3.542 1.00 0.76 H new ATOM 0 HG22 THR B 3 160.303 -2.385 -3.084 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.641 -3.176 -3.951 1.00 0.76 H new ATOM 1454 N SER B 4 162.908 -2.396 0.972 1.00 0.63 N ATOM 1455 CA SER B 4 163.555 -2.788 2.259 1.00 0.62 C ATOM 1456 C SER B 4 162.771 -3.937 2.903 1.00 0.60 C ATOM 1457 O SER B 4 161.717 -4.329 2.442 1.00 0.58 O ATOM 1458 CB SER B 4 163.571 -1.588 3.203 1.00 0.63 C ATOM 1459 OG SER B 4 164.344 -0.546 2.621 1.00 1.50 O ATOM 0 H SER B 4 162.299 -1.580 1.026 1.00 0.63 H new ATOM 0 HA SER B 4 164.577 -3.115 2.066 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.554 -1.242 3.389 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.991 -1.874 4.167 1.00 0.63 H new ATOM 0 HG SER B 4 164.356 0.228 3.223 1.00 1.50 H new ATOM 1465 N GLN B 5 163.303 -4.483 3.967 1.00 0.63 N ATOM 1466 CA GLN B 5 162.633 -5.619 4.664 1.00 0.64 C ATOM 1467 C GLN B 5 161.204 -5.228 5.040 1.00 0.60 C ATOM 1468 O GLN B 5 160.341 -6.069 5.207 1.00 0.60 O ATOM 1469 CB GLN B 5 163.421 -5.967 5.933 1.00 0.71 C ATOM 1470 CG GLN B 5 162.922 -7.298 6.507 1.00 1.34 C ATOM 1471 CD GLN B 5 163.469 -8.453 5.664 1.00 1.59 C ATOM 1472 OE1 GLN B 5 162.715 -9.210 5.087 1.00 2.09 O ATOM 1473 NE2 GLN B 5 164.761 -8.621 5.567 1.00 2.18 N ATOM 0 H GLN B 5 164.184 -4.185 4.386 1.00 0.63 H new ATOM 0 HA GLN B 5 162.602 -6.484 4.001 1.00 0.64 H new ATOM 0 HB2 GLN B 5 164.485 -6.035 5.704 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.304 -5.175 6.673 1.00 0.71 H new ATOM 0 HG2 GLN B 5 163.246 -7.404 7.542 1.00 1.34 H new ATOM 0 HG3 GLN B 5 161.832 -7.320 6.510 1.00 1.34 H new ATOM 0 HE21 GLN B 5 165.396 -7.986 6.051 1.00 2.18 H new ATOM 0 HE22 GLN B 5 165.135 -9.387 5.007 1.00 2.18 H new ATOM 1482 N LYS B 6 160.939 -3.957 5.175 1.00 0.59 N ATOM 1483 CA LYS B 6 159.566 -3.515 5.540 1.00 0.57 C ATOM 1484 C LYS B 6 158.587 -3.966 4.455 1.00 0.51 C ATOM 1485 O LYS B 6 157.475 -4.362 4.738 1.00 0.50 O ATOM 1486 CB LYS B 6 159.536 -1.989 5.648 1.00 0.58 C ATOM 1487 CG LYS B 6 160.356 -1.552 6.864 1.00 0.66 C ATOM 1488 CD LYS B 6 160.331 -0.027 6.982 1.00 0.80 C ATOM 1489 CE LYS B 6 161.157 0.404 8.196 1.00 1.25 C ATOM 1490 NZ LYS B 6 162.592 0.078 7.964 1.00 2.01 N ATOM 0 H LYS B 6 161.617 -3.205 5.048 1.00 0.59 H new ATOM 0 HA LYS B 6 159.281 -3.954 6.496 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.942 -1.541 4.741 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.508 -1.640 5.744 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.950 -2.003 7.769 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.384 -1.902 6.767 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.734 0.425 6.076 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.304 0.324 7.084 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.040 1.474 8.367 1.00 1.25 H new ATOM 0 HE3 LYS B 6 160.798 -0.103 9.092 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 163.183 0.626 8.621 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 162.747 -0.938 8.123 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 162.849 0.318 6.985 1.00 2.01 H new ATOM 1504 N HIS B 7 158.982 -3.898 3.215 1.00 0.49 N ATOM 1505 CA HIS B 7 158.059 -4.309 2.122 1.00 0.45 C ATOM 1506 C HIS B 7 157.635 -5.769 2.305 1.00 0.45 C ATOM 1507 O HIS B 7 156.464 -6.089 2.281 1.00 0.43 O ATOM 1508 CB HIS B 7 158.781 -4.141 0.779 1.00 0.45 C ATOM 1509 CG HIS B 7 157.986 -4.773 -0.336 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.219 -4.026 -1.221 1.00 0.39 N ATOM 1511 CD2 HIS B 7 157.847 -6.081 -0.733 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.662 -4.883 -2.100 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.015 -6.144 -1.845 1.00 0.42 N ATOM 0 H HIS B 7 159.901 -3.577 2.912 1.00 0.49 H new ATOM 0 HA HIS B 7 157.165 -3.685 2.146 1.00 0.45 H new ATOM 0 HB2 HIS B 7 158.930 -3.082 0.571 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.769 -4.598 0.832 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.313 -6.930 -0.255 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.011 -4.586 -2.909 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.733 -6.979 -2.358 1.00 0.42 H new ATOM 1521 N ARG B 8 158.579 -6.660 2.493 1.00 0.48 N ATOM 1522 CA ARG B 8 158.241 -8.098 2.677 1.00 0.50 C ATOM 1523 C ARG B 8 157.545 -8.309 4.018 1.00 0.51 C ATOM 1524 O ARG B 8 156.674 -9.144 4.151 1.00 0.51 O ATOM 1525 CB ARG B 8 159.527 -8.925 2.646 1.00 0.55 C ATOM 1526 CG ARG B 8 160.096 -8.934 1.228 1.00 0.57 C ATOM 1527 CD ARG B 8 161.420 -9.697 1.219 1.00 1.00 C ATOM 1528 NE ARG B 8 162.417 -8.948 2.037 1.00 1.70 N ATOM 1529 CZ ARG B 8 163.535 -9.517 2.393 1.00 2.29 C ATOM 1530 NH1 ARG B 8 163.776 -10.751 2.049 1.00 2.43 N ATOM 1531 NH2 ARG B 8 164.409 -8.853 3.097 1.00 3.23 N ATOM 0 H ARG B 8 159.576 -6.446 2.526 1.00 0.48 H new ATOM 0 HA ARG B 8 157.573 -8.411 1.874 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.257 -8.507 3.339 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.324 -9.945 2.974 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.389 -9.402 0.543 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.249 -7.913 0.879 1.00 0.57 H new ATOM 0 HD2 ARG B 8 161.279 -10.700 1.622 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.781 -9.812 0.197 1.00 1.00 H new ATOM 0 HE ARG B 8 162.224 -7.987 2.319 1.00 1.70 H new ATOM 0 HH11 ARG B 8 163.090 -11.271 1.502 1.00 2.43 H new ATOM 0 HH12 ARG B 8 164.650 -11.197 2.327 1.00 2.43 H new ATOM 0 HH21 ARG B 8 164.218 -7.889 3.369 1.00 3.23 H new ATOM 0 HH22 ARG B 8 165.284 -9.298 3.376 1.00 3.23 H new ATOM 1545 N ASP B 9 157.926 -7.568 5.017 1.00 0.52 N ATOM 1546 CA ASP B 9 157.288 -7.740 6.349 1.00 0.54 C ATOM 1547 C ASP B 9 155.835 -7.270 6.277 1.00 0.49 C ATOM 1548 O ASP B 9 154.947 -7.863 6.856 1.00 0.48 O ATOM 1549 CB ASP B 9 158.047 -6.920 7.393 1.00 0.61 C ATOM 1550 CG ASP B 9 159.420 -7.551 7.641 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.592 -8.705 7.284 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.271 -6.870 8.188 1.00 0.76 O ATOM 0 H ASP B 9 158.650 -6.852 4.970 1.00 0.52 H new ATOM 0 HA ASP B 9 157.315 -8.792 6.634 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.164 -5.893 7.048 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.480 -6.881 8.323 1.00 0.61 H new ATOM 1557 N PHE B 10 155.594 -6.195 5.583 1.00 0.46 N ATOM 1558 CA PHE B 10 154.201 -5.672 5.485 1.00 0.43 C ATOM 1559 C PHE B 10 153.297 -6.715 4.813 1.00 0.37 C ATOM 1560 O PHE B 10 152.220 -7.014 5.287 1.00 0.36 O ATOM 1561 CB PHE B 10 154.204 -4.388 4.651 1.00 0.45 C ATOM 1562 CG PHE B 10 152.857 -3.711 4.745 1.00 0.43 C ATOM 1563 CD1 PHE B 10 151.837 -4.041 3.844 1.00 0.43 C ATOM 1564 CD2 PHE B 10 152.631 -2.749 5.736 1.00 0.44 C ATOM 1565 CE1 PHE B 10 150.591 -3.406 3.935 1.00 0.43 C ATOM 1566 CE2 PHE B 10 151.386 -2.115 5.826 1.00 0.44 C ATOM 1567 CZ PHE B 10 150.366 -2.444 4.927 1.00 0.43 C ATOM 0 H PHE B 10 156.298 -5.655 5.080 1.00 0.46 H new ATOM 0 HA PHE B 10 153.822 -5.463 6.485 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.985 -3.715 5.006 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.432 -4.620 3.611 1.00 0.45 H new ATOM 0 HD1 PHE B 10 152.010 -4.784 3.080 1.00 0.43 H new ATOM 0 HD2 PHE B 10 153.417 -2.496 6.432 1.00 0.44 H new ATOM 0 HE1 PHE B 10 149.804 -3.659 3.240 1.00 0.43 H new ATOM 0 HE2 PHE B 10 151.213 -1.371 6.590 1.00 0.44 H new ATOM 0 HZ PHE B 10 149.405 -1.956 4.998 1.00 0.43 H new ATOM 1577 N VAL B 11 153.721 -7.254 3.701 1.00 0.37 N ATOM 1578 CA VAL B 11 152.887 -8.262 2.977 1.00 0.35 C ATOM 1579 C VAL B 11 153.090 -9.663 3.574 1.00 0.36 C ATOM 1580 O VAL B 11 152.641 -10.648 3.020 1.00 0.37 O ATOM 1581 CB VAL B 11 153.294 -8.273 1.501 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.127 -6.867 0.913 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.758 -8.707 1.382 1.00 0.40 C ATOM 0 H VAL B 11 154.615 -7.039 3.259 1.00 0.37 H new ATOM 0 HA VAL B 11 151.836 -7.993 3.077 1.00 0.35 H new ATOM 0 HB VAL B 11 152.661 -8.971 0.953 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.417 -6.875 -0.138 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.085 -6.558 1.000 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.760 -6.167 1.458 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.051 -8.716 0.332 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.390 -8.008 1.929 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.876 -9.707 1.800 1.00 0.40 H new ATOM 1593 N ALA B 12 153.744 -9.760 4.706 1.00 0.41 N ATOM 1594 CA ALA B 12 153.959 -11.100 5.352 1.00 0.47 C ATOM 1595 C ALA B 12 152.972 -11.296 6.511 1.00 0.45 C ATOM 1596 O ALA B 12 152.779 -12.395 6.993 1.00 0.48 O ATOM 1597 CB ALA B 12 155.388 -11.186 5.889 1.00 0.53 C ATOM 0 H ALA B 12 154.140 -8.969 5.214 1.00 0.41 H new ATOM 0 HA ALA B 12 153.796 -11.879 4.607 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.543 -12.158 6.357 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.094 -11.063 5.067 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.548 -10.399 6.626 1.00 0.53 H new ATOM 1603 N GLU B 13 152.341 -10.242 6.959 1.00 0.42 N ATOM 1604 CA GLU B 13 151.361 -10.365 8.082 1.00 0.43 C ATOM 1605 C GLU B 13 150.317 -9.250 7.945 1.00 0.39 C ATOM 1606 O GLU B 13 150.620 -8.198 7.418 1.00 0.36 O ATOM 1607 CB GLU B 13 152.098 -10.213 9.422 1.00 0.46 C ATOM 1608 CG GLU B 13 152.916 -8.918 9.425 1.00 0.48 C ATOM 1609 CD GLU B 13 153.545 -8.715 10.806 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.297 -9.535 11.674 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.262 -7.742 10.970 1.00 1.04 O ATOM 0 H GLU B 13 152.462 -9.297 6.595 1.00 0.42 H new ATOM 0 HA GLU B 13 150.874 -11.339 8.048 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.380 -10.201 10.242 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.754 -11.068 9.585 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.694 -8.965 8.663 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.277 -8.071 9.177 1.00 0.48 H new ATOM 1618 N PRO B 14 149.107 -9.449 8.426 1.00 0.42 N ATOM 1619 CA PRO B 14 148.048 -8.404 8.357 1.00 0.40 C ATOM 1620 C PRO B 14 148.638 -7.006 8.575 1.00 0.36 C ATOM 1621 O PRO B 14 149.689 -6.861 9.167 1.00 0.36 O ATOM 1622 CB PRO B 14 147.113 -8.794 9.502 1.00 0.45 C ATOM 1623 CG PRO B 14 147.197 -10.291 9.567 1.00 0.49 C ATOM 1624 CD PRO B 14 148.608 -10.675 9.077 1.00 0.48 C ATOM 0 HA PRO B 14 147.548 -8.358 7.389 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.426 -8.338 10.442 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.092 -8.462 9.311 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.031 -10.645 10.585 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.431 -10.750 8.941 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.250 -10.976 9.905 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.574 -11.512 8.379 1.00 0.48 H new ATOM 1632 N MET B 15 147.990 -5.982 8.092 1.00 0.35 N ATOM 1633 CA MET B 15 148.543 -4.603 8.267 1.00 0.34 C ATOM 1634 C MET B 15 147.977 -3.952 9.533 1.00 0.35 C ATOM 1635 O MET B 15 148.589 -3.083 10.117 1.00 0.37 O ATOM 1636 CB MET B 15 148.218 -3.745 7.039 1.00 0.36 C ATOM 1637 CG MET B 15 146.729 -3.828 6.688 1.00 0.40 C ATOM 1638 SD MET B 15 146.461 -3.105 5.046 1.00 0.56 S ATOM 1639 CE MET B 15 146.469 -1.356 5.521 1.00 0.42 C ATOM 0 H MET B 15 147.106 -6.036 7.586 1.00 0.35 H new ATOM 0 HA MET B 15 149.626 -4.675 8.371 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.492 -2.708 7.233 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.814 -4.079 6.190 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.398 -4.866 6.700 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.137 -3.296 7.433 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.424 -0.736 4.626 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.605 -1.146 6.152 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.383 -1.133 6.071 1.00 0.42 H new ATOM 1649 N GLY B 16 146.821 -4.372 9.972 1.00 0.36 N ATOM 1650 CA GLY B 16 146.232 -3.782 11.211 1.00 0.39 C ATOM 1651 C GLY B 16 146.178 -2.256 11.103 1.00 0.38 C ATOM 1652 O GLY B 16 145.788 -1.710 10.090 1.00 0.37 O ATOM 0 H GLY B 16 146.259 -5.098 9.527 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.228 -4.177 11.368 1.00 0.39 H new ATOM 0 HA3 GLY B 16 146.827 -4.071 12.077 1.00 0.39 H new ATOM 1656 N GLU B 17 146.554 -1.567 12.155 1.00 0.40 N ATOM 1657 CA GLU B 17 146.517 -0.068 12.153 1.00 0.41 C ATOM 1658 C GLU B 17 147.939 0.492 12.195 1.00 0.38 C ATOM 1659 O GLU B 17 148.224 1.430 12.913 1.00 0.39 O ATOM 1660 CB GLU B 17 145.757 0.418 13.387 1.00 0.46 C ATOM 1661 CG GLU B 17 144.273 0.080 13.240 1.00 0.50 C ATOM 1662 CD GLU B 17 143.514 0.566 14.476 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.165 0.951 15.434 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.295 0.543 14.445 1.00 0.84 O ATOM 0 H GLU B 17 146.888 -1.983 13.024 1.00 0.40 H new ATOM 0 HA GLU B 17 146.020 0.275 11.245 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.161 -0.052 14.284 1.00 0.46 H new ATOM 0 HB3 GLU B 17 145.886 1.494 13.506 1.00 0.46 H new ATOM 0 HG2 GLU B 17 143.869 0.551 12.344 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.144 -0.996 13.121 1.00 0.50 H new ATOM 1671 N LYS B 18 148.833 -0.074 11.436 1.00 0.36 N ATOM 1672 CA LYS B 18 150.234 0.431 11.441 1.00 0.35 C ATOM 1673 C LYS B 18 150.222 1.900 10.994 1.00 0.31 C ATOM 1674 O LYS B 18 149.385 2.298 10.208 1.00 0.30 O ATOM 1675 CB LYS B 18 151.077 -0.385 10.463 1.00 0.35 C ATOM 1676 CG LYS B 18 151.284 -1.798 11.012 1.00 0.45 C ATOM 1677 CD LYS B 18 151.814 -2.703 9.896 1.00 1.16 C ATOM 1678 CE LYS B 18 152.121 -4.090 10.463 1.00 1.44 C ATOM 1679 NZ LYS B 18 150.866 -4.702 10.982 1.00 2.02 N ATOM 0 H LYS B 18 148.656 -0.862 10.814 1.00 0.36 H new ATOM 0 HA LYS B 18 150.658 0.342 12.441 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.583 -0.431 9.493 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.041 0.099 10.307 1.00 0.35 H new ATOM 0 HG2 LYS B 18 151.988 -1.778 11.844 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.344 -2.191 11.399 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.077 -2.781 9.096 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.714 -2.270 9.459 1.00 1.16 H new ATOM 0 HE2 LYS B 18 152.554 -4.723 9.689 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.858 -4.013 11.262 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 150.946 -4.838 12.010 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 150.063 -4.074 10.777 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 150.712 -5.622 10.522 1.00 2.02 H new ATOM 1693 N PRO B 19 151.127 2.710 11.493 1.00 0.31 N ATOM 1694 CA PRO B 19 151.183 4.156 11.129 1.00 0.29 C ATOM 1695 C PRO B 19 151.461 4.363 9.634 1.00 0.25 C ATOM 1696 O PRO B 19 151.952 3.487 8.950 1.00 0.23 O ATOM 1697 CB PRO B 19 152.321 4.720 12.000 1.00 0.32 C ATOM 1698 CG PRO B 19 153.157 3.533 12.363 1.00 0.32 C ATOM 1699 CD PRO B 19 152.193 2.349 12.444 1.00 0.34 C ATOM 0 HA PRO B 19 150.233 4.660 11.306 1.00 0.29 H new ATOM 0 HB2 PRO B 19 152.905 5.462 11.455 1.00 0.32 H new ATOM 0 HB3 PRO B 19 151.929 5.214 12.889 1.00 0.32 H new ATOM 0 HG2 PRO B 19 153.930 3.357 11.615 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.664 3.689 13.315 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.680 1.415 12.166 1.00 0.34 H new ATOM 0 HD3 PRO B 19 151.803 2.217 13.453 1.00 0.34 H new ATOM 1707 N VAL B 20 151.129 5.517 9.133 1.00 0.24 N ATOM 1708 CA VAL B 20 151.339 5.809 7.688 1.00 0.22 C ATOM 1709 C VAL B 20 152.812 5.635 7.296 1.00 0.21 C ATOM 1710 O VAL B 20 153.128 5.173 6.219 1.00 0.22 O ATOM 1711 CB VAL B 20 150.896 7.247 7.408 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.764 8.212 8.219 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.048 7.556 5.913 1.00 0.28 C ATOM 0 H VAL B 20 150.716 6.280 9.669 1.00 0.24 H new ATOM 0 HA VAL B 20 150.750 5.108 7.096 1.00 0.22 H new ATOM 0 HB VAL B 20 149.851 7.365 7.694 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.451 9.237 8.021 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.652 7.997 9.282 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.809 8.090 7.932 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.731 8.581 5.719 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.091 7.437 5.621 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.429 6.870 5.335 1.00 0.28 H new ATOM 1723 N GLY B 21 153.712 6.039 8.156 1.00 0.22 N ATOM 1724 CA GLY B 21 155.168 5.944 7.841 1.00 0.21 C ATOM 1725 C GLY B 21 155.631 4.485 7.779 1.00 0.19 C ATOM 1726 O GLY B 21 156.771 4.212 7.458 1.00 0.19 O ATOM 0 H GLY B 21 153.497 6.434 9.071 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.368 6.432 6.887 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.742 6.478 8.599 1.00 0.21 H new ATOM 1730 N SER B 22 154.776 3.538 8.067 1.00 0.20 N ATOM 1731 CA SER B 22 155.206 2.110 8.004 1.00 0.20 C ATOM 1732 C SER B 22 155.091 1.603 6.566 1.00 0.19 C ATOM 1733 O SER B 22 155.716 0.630 6.192 1.00 0.20 O ATOM 1734 CB SER B 22 154.313 1.264 8.909 1.00 0.23 C ATOM 1735 OG SER B 22 154.627 1.540 10.267 1.00 1.24 O ATOM 0 H SER B 22 153.805 3.690 8.341 1.00 0.20 H new ATOM 0 HA SER B 22 156.241 2.032 8.338 1.00 0.20 H new ATOM 0 HB2 SER B 22 153.264 1.485 8.714 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.460 0.205 8.697 1.00 0.23 H new ATOM 0 HG SER B 22 154.309 0.805 10.832 1.00 1.24 H new ATOM 1741 N LEU B 23 154.297 2.246 5.757 1.00 0.18 N ATOM 1742 CA LEU B 23 154.155 1.785 4.350 1.00 0.18 C ATOM 1743 C LEU B 23 155.499 1.936 3.638 1.00 0.18 C ATOM 1744 O LEU B 23 156.183 2.930 3.774 1.00 0.18 O ATOM 1745 CB LEU B 23 153.099 2.627 3.630 1.00 0.19 C ATOM 1746 CG LEU B 23 151.700 2.328 4.189 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.689 3.276 3.533 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.302 0.867 3.895 1.00 0.24 C ATOM 0 H LEU B 23 153.744 3.066 6.007 1.00 0.18 H new ATOM 0 HA LEU B 23 153.845 0.740 4.339 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.326 3.686 3.750 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.123 2.415 2.561 1.00 0.19 H new ATOM 0 HG LEU B 23 151.707 2.476 5.269 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.692 3.072 3.923 1.00 0.23 H new ATOM 0 HD12 LEU B 23 150.961 4.308 3.755 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.694 3.123 2.454 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.308 0.672 4.298 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.295 0.701 2.818 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.021 0.193 4.361 1.00 0.24 H new ATOM 1760 N ALA B 24 155.876 0.947 2.888 1.00 0.18 N ATOM 1761 CA ALA B 24 157.176 1.017 2.167 1.00 0.19 C ATOM 1762 C ALA B 24 157.151 2.168 1.160 1.00 0.19 C ATOM 1763 O ALA B 24 156.188 2.374 0.448 1.00 0.20 O ATOM 1764 CB ALA B 24 157.419 -0.303 1.436 1.00 0.21 C ATOM 0 H ALA B 24 155.342 0.091 2.741 1.00 0.18 H new ATOM 0 HA ALA B 24 157.979 1.191 2.883 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.371 -0.256 0.906 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.446 -1.119 2.158 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.614 -0.477 0.722 1.00 0.21 H new ATOM 1770 N GLY B 25 158.215 2.922 1.109 1.00 0.20 N ATOM 1771 CA GLY B 25 158.285 4.077 0.161 1.00 0.21 C ATOM 1772 C GLY B 25 157.868 5.356 0.888 1.00 0.20 C ATOM 1773 O GLY B 25 158.152 6.452 0.447 1.00 0.22 O ATOM 0 H GLY B 25 159.046 2.789 1.686 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.298 4.181 -0.229 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.631 3.901 -0.693 1.00 0.21 H new ATOM 1777 N ILE B 26 157.206 5.226 2.009 1.00 0.20 N ATOM 1778 CA ILE B 26 156.777 6.434 2.779 1.00 0.21 C ATOM 1779 C ILE B 26 157.785 6.662 3.904 1.00 0.23 C ATOM 1780 O ILE B 26 157.900 5.858 4.808 1.00 0.25 O ATOM 1781 CB ILE B 26 155.393 6.190 3.382 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.420 5.712 2.295 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.865 7.483 3.999 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.446 6.660 1.094 1.00 0.24 C ATOM 0 H ILE B 26 156.943 4.333 2.426 1.00 0.20 H new ATOM 0 HA ILE B 26 156.733 7.304 2.124 1.00 0.21 H new ATOM 0 HB ILE B 26 155.475 5.423 4.152 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.689 4.705 1.976 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.410 5.659 2.701 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.879 7.305 4.428 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.546 7.817 4.782 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.793 8.251 3.229 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.750 6.304 0.334 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.154 7.660 1.414 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.453 6.692 0.677 1.00 0.24 H new ATOM 1796 N GLY B 27 158.522 7.742 3.872 1.00 0.24 N ATOM 1797 CA GLY B 27 159.517 7.999 4.953 1.00 0.27 C ATOM 1798 C GLY B 27 158.875 8.835 6.065 1.00 0.28 C ATOM 1799 O GLY B 27 157.745 9.272 5.957 1.00 0.27 O ATOM 0 H GLY B 27 158.477 8.456 3.145 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.878 7.054 5.359 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.382 8.522 4.546 1.00 0.27 H new ATOM 1803 N GLU B 28 159.589 9.054 7.133 1.00 0.30 N ATOM 1804 CA GLU B 28 159.015 9.855 8.253 1.00 0.32 C ATOM 1805 C GLU B 28 158.621 11.245 7.744 1.00 0.32 C ATOM 1806 O GLU B 28 157.595 11.780 8.113 1.00 0.35 O ATOM 1807 CB GLU B 28 160.045 9.984 9.377 1.00 0.36 C ATOM 1808 CG GLU B 28 160.225 8.624 10.059 1.00 0.39 C ATOM 1809 CD GLU B 28 161.377 8.702 11.063 1.00 1.27 C ATOM 1810 OE1 GLU B 28 161.121 9.048 12.203 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.496 8.415 10.672 1.00 1.64 O ATOM 0 H GLU B 28 160.540 8.716 7.280 1.00 0.30 H new ATOM 0 HA GLU B 28 158.129 9.352 8.639 1.00 0.32 H new ATOM 0 HB2 GLU B 28 160.997 10.331 8.975 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.716 10.727 10.103 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.305 8.336 10.568 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.431 7.856 9.313 1.00 0.39 H new ATOM 1818 N VAL B 29 159.422 11.830 6.895 1.00 0.31 N ATOM 1819 CA VAL B 29 159.079 13.182 6.365 1.00 0.33 C ATOM 1820 C VAL B 29 157.812 13.084 5.514 1.00 0.33 C ATOM 1821 O VAL B 29 156.894 13.868 5.655 1.00 0.35 O ATOM 1822 CB VAL B 29 160.242 13.704 5.512 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.818 14.968 4.757 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.425 14.036 6.423 1.00 0.35 C ATOM 0 H VAL B 29 160.295 11.433 6.547 1.00 0.31 H new ATOM 0 HA VAL B 29 158.905 13.870 7.192 1.00 0.33 H new ATOM 0 HB VAL B 29 160.528 12.937 4.792 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.652 15.329 4.155 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.974 14.738 4.107 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.526 15.738 5.471 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.254 14.408 5.821 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.128 14.799 7.142 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.737 13.138 6.956 1.00 0.35 H new ATOM 1834 N LEU B 30 157.759 12.129 4.629 1.00 0.32 N ATOM 1835 CA LEU B 30 156.562 11.974 3.757 1.00 0.33 C ATOM 1836 C LEU B 30 155.356 11.585 4.612 1.00 0.32 C ATOM 1837 O LEU B 30 154.247 12.028 4.384 1.00 0.33 O ATOM 1838 CB LEU B 30 156.821 10.872 2.726 1.00 0.33 C ATOM 1839 CG LEU B 30 158.005 11.253 1.826 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.302 10.086 0.880 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.669 12.514 1.007 1.00 0.40 C ATOM 0 H LEU B 30 158.499 11.444 4.471 1.00 0.32 H new ATOM 0 HA LEU B 30 156.363 12.916 3.246 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.030 9.931 3.234 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.929 10.716 2.119 1.00 0.33 H new ATOM 0 HG LEU B 30 158.878 11.463 2.444 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.142 10.345 0.235 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.552 9.200 1.463 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.424 9.882 0.267 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.517 12.773 0.373 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.796 12.321 0.384 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.456 13.341 1.684 1.00 0.40 H new ATOM 1853 N GLY B 31 155.568 10.756 5.589 1.00 0.33 N ATOM 1854 CA GLY B 31 154.440 10.326 6.462 1.00 0.34 C ATOM 1855 C GLY B 31 153.824 11.547 7.147 1.00 0.35 C ATOM 1856 O GLY B 31 152.624 11.637 7.317 1.00 0.36 O ATOM 0 H GLY B 31 156.476 10.354 5.824 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.685 9.810 5.869 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.796 9.618 7.210 1.00 0.34 H new ATOM 1860 N LYS B 32 154.639 12.479 7.559 1.00 0.35 N ATOM 1861 CA LYS B 32 154.111 13.688 8.253 1.00 0.37 C ATOM 1862 C LYS B 32 153.212 14.504 7.312 1.00 0.37 C ATOM 1863 O LYS B 32 152.204 15.039 7.728 1.00 0.38 O ATOM 1864 CB LYS B 32 155.286 14.557 8.719 1.00 0.40 C ATOM 1865 CG LYS B 32 156.044 13.862 9.865 1.00 1.18 C ATOM 1866 CD LYS B 32 155.310 14.058 11.201 1.00 1.36 C ATOM 1867 CE LYS B 32 156.207 13.582 12.345 1.00 2.07 C ATOM 1868 NZ LYS B 32 157.430 14.432 12.404 1.00 2.75 N ATOM 0 H LYS B 32 155.652 12.455 7.444 1.00 0.35 H new ATOM 0 HA LYS B 32 153.518 13.370 9.111 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.963 14.742 7.885 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.919 15.528 9.053 1.00 0.40 H new ATOM 0 HG2 LYS B 32 156.141 12.798 9.651 1.00 1.18 H new ATOM 0 HG3 LYS B 32 157.054 14.266 9.937 1.00 1.18 H new ATOM 0 HD2 LYS B 32 155.054 15.109 11.338 1.00 1.36 H new ATOM 0 HD3 LYS B 32 154.374 13.499 11.200 1.00 1.36 H new ATOM 0 HE2 LYS B 32 155.668 13.636 13.291 1.00 2.07 H new ATOM 0 HE3 LYS B 32 156.483 12.538 12.195 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 157.778 14.472 13.383 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.165 14.025 11.791 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.201 15.393 12.079 1.00 2.75 H new ATOM 1882 N LYS B 33 153.566 14.634 6.059 1.00 0.35 N ATOM 1883 CA LYS B 33 152.714 15.449 5.137 1.00 0.36 C ATOM 1884 C LYS B 33 151.365 14.757 4.929 1.00 0.34 C ATOM 1885 O LYS B 33 150.327 15.386 4.961 1.00 0.36 O ATOM 1886 CB LYS B 33 153.421 15.594 3.790 1.00 0.36 C ATOM 1887 CG LYS B 33 154.714 16.384 3.981 1.00 0.39 C ATOM 1888 CD LYS B 33 155.427 16.533 2.635 1.00 0.64 C ATOM 1889 CE LYS B 33 156.736 17.296 2.835 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.450 18.629 3.436 1.00 1.56 N ATOM 0 H LYS B 33 154.396 14.218 5.637 1.00 0.35 H new ATOM 0 HA LYS B 33 152.550 16.433 5.575 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.640 14.611 3.374 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.772 16.104 3.078 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.494 17.367 4.398 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.362 15.873 4.693 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.628 15.551 2.207 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.788 17.064 1.929 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.404 16.729 3.484 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.247 17.418 1.880 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.254 19.267 3.265 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.593 19.028 3.003 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.304 18.524 4.460 1.00 1.56 H new ATOM 1904 N LEU B 34 151.365 13.469 4.740 1.00 0.32 N ATOM 1905 CA LEU B 34 150.075 12.746 4.563 1.00 0.31 C ATOM 1906 C LEU B 34 149.244 12.907 5.844 1.00 0.31 C ATOM 1907 O LEU B 34 148.044 13.087 5.813 1.00 0.32 O ATOM 1908 CB LEU B 34 150.352 11.260 4.279 1.00 0.28 C ATOM 1909 CG LEU B 34 150.965 11.088 2.873 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.721 9.757 2.804 1.00 0.29 C ATOM 1911 CD2 LEU B 34 149.851 11.076 1.810 1.00 0.33 C ATOM 0 H LEU B 34 152.200 12.885 4.700 1.00 0.32 H new ATOM 0 HA LEU B 34 149.521 13.158 3.720 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.032 10.860 5.031 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.426 10.690 4.351 1.00 0.28 H new ATOM 0 HG LEU B 34 151.645 11.918 2.683 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.154 9.635 1.811 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.516 9.751 3.550 1.00 0.29 H new ATOM 0 HD13 LEU B 34 151.032 8.936 3.002 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.293 10.954 0.821 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.169 10.249 2.007 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.301 12.016 1.848 1.00 0.33 H new ATOM 1923 N GLU B 35 149.897 12.835 6.966 1.00 0.31 N ATOM 1924 CA GLU B 35 149.176 12.976 8.269 1.00 0.34 C ATOM 1925 C GLU B 35 148.479 14.335 8.365 1.00 0.37 C ATOM 1926 O GLU B 35 147.366 14.438 8.841 1.00 0.39 O ATOM 1927 CB GLU B 35 150.177 12.846 9.416 1.00 0.35 C ATOM 1928 CG GLU B 35 149.453 13.042 10.750 1.00 0.92 C ATOM 1929 CD GLU B 35 150.389 12.674 11.900 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.443 12.122 11.628 1.00 1.35 O ATOM 1931 OE2 GLU B 35 150.034 12.948 13.035 1.00 1.68 O ATOM 0 H GLU B 35 150.903 12.684 7.043 1.00 0.31 H new ATOM 0 HA GLU B 35 148.422 12.192 8.333 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.652 11.865 9.389 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.969 13.587 9.307 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.127 14.077 10.850 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.557 12.422 10.784 1.00 0.92 H new ATOM 1938 N GLU B 36 149.128 15.377 7.938 1.00 0.39 N ATOM 1939 CA GLU B 36 148.506 16.726 8.027 1.00 0.44 C ATOM 1940 C GLU B 36 147.273 16.773 7.129 1.00 0.45 C ATOM 1941 O GLU B 36 146.405 17.607 7.290 1.00 0.49 O ATOM 1942 CB GLU B 36 149.522 17.774 7.568 1.00 0.46 C ATOM 1943 CG GLU B 36 150.648 17.870 8.600 1.00 1.11 C ATOM 1944 CD GLU B 36 150.112 18.497 9.887 1.00 1.38 C ATOM 1945 OE1 GLU B 36 149.141 19.232 9.803 1.00 1.85 O ATOM 1946 OE2 GLU B 36 150.679 18.230 10.934 1.00 1.99 O ATOM 0 H GLU B 36 150.063 15.355 7.531 1.00 0.39 H new ATOM 0 HA GLU B 36 148.209 16.933 9.055 1.00 0.44 H new ATOM 0 HB2 GLU B 36 149.928 17.502 6.594 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.036 18.743 7.452 1.00 0.46 H new ATOM 0 HG2 GLU B 36 151.051 16.879 8.807 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.467 18.471 8.205 1.00 1.11 H new ATOM 1953 N ARG B 37 147.203 15.892 6.173 1.00 0.42 N ATOM 1954 CA ARG B 37 146.034 15.895 5.247 1.00 0.45 C ATOM 1955 C ARG B 37 144.942 14.938 5.745 1.00 0.42 C ATOM 1956 O ARG B 37 143.952 14.723 5.074 1.00 0.43 O ATOM 1957 CB ARG B 37 146.494 15.491 3.847 1.00 0.45 C ATOM 1958 CG ARG B 37 147.350 16.616 3.257 1.00 0.52 C ATOM 1959 CD ARG B 37 147.671 16.302 1.799 1.00 0.86 C ATOM 1960 NE ARG B 37 146.401 16.191 1.030 1.00 1.42 N ATOM 1961 CZ ARG B 37 146.414 16.282 -0.271 1.00 1.87 C ATOM 1962 NH1 ARG B 37 147.531 16.523 -0.899 1.00 2.15 N ATOM 1963 NH2 ARG B 37 145.303 16.143 -0.942 1.00 2.68 N ATOM 0 H ARG B 37 147.901 15.171 5.991 1.00 0.42 H new ATOM 0 HA ARG B 37 145.612 16.900 5.214 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.068 14.566 3.892 1.00 0.45 H new ATOM 0 HB3 ARG B 37 145.632 15.300 3.208 1.00 0.45 H new ATOM 0 HG2 ARG B 37 146.819 17.566 3.327 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.272 16.723 3.828 1.00 0.52 H new ATOM 0 HD2 ARG B 37 148.299 17.086 1.376 1.00 0.86 H new ATOM 0 HD3 ARG B 37 148.234 15.371 1.731 1.00 0.86 H new ATOM 0 HE ARG B 37 145.519 16.044 1.521 1.00 1.42 H new ATOM 0 HH11 ARG B 37 148.397 16.641 -0.373 1.00 2.15 H new ATOM 0 HH12 ARG B 37 147.539 16.594 -1.917 1.00 2.15 H new ATOM 0 HH21 ARG B 37 144.428 15.964 -0.449 1.00 2.68 H new ATOM 0 HH22 ARG B 37 145.310 16.214 -1.960 1.00 2.68 H new ATOM 1977 N GLY B 38 145.080 14.400 6.938 1.00 0.41 N ATOM 1978 CA GLY B 38 144.005 13.508 7.494 1.00 0.39 C ATOM 1979 C GLY B 38 144.356 12.023 7.363 1.00 0.37 C ATOM 1980 O GLY B 38 143.536 11.175 7.655 1.00 0.49 O ATOM 0 H GLY B 38 145.886 14.539 7.548 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.843 13.749 8.545 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.068 13.705 6.974 1.00 0.39 H new ATOM 1984 N PHE B 39 145.552 11.681 6.960 1.00 0.31 N ATOM 1985 CA PHE B 39 145.929 10.234 6.849 1.00 0.28 C ATOM 1986 C PHE B 39 146.861 9.888 8.012 1.00 0.28 C ATOM 1987 O PHE B 39 148.059 9.757 7.849 1.00 0.28 O ATOM 1988 CB PHE B 39 146.670 10.012 5.537 1.00 0.27 C ATOM 1989 CG PHE B 39 145.767 10.348 4.378 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.727 11.656 3.890 1.00 0.31 C ATOM 1991 CD2 PHE B 39 144.976 9.356 3.790 1.00 0.27 C ATOM 1992 CE1 PHE B 39 144.894 11.978 2.812 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.142 9.674 2.711 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.101 10.987 2.223 1.00 0.32 C ATOM 0 H PHE B 39 146.287 12.340 6.702 1.00 0.31 H new ATOM 0 HA PHE B 39 145.037 9.608 6.878 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.565 10.633 5.505 1.00 0.27 H new ATOM 0 HB3 PHE B 39 146.999 8.975 5.465 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.340 12.420 4.345 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.008 8.345 4.168 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.863 12.990 2.436 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.531 8.908 2.256 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.457 11.234 1.392 1.00 0.32 H new ATOM 2004 N ASP B 40 146.319 9.785 9.191 1.00 0.30 N ATOM 2005 CA ASP B 40 147.170 9.497 10.380 1.00 0.31 C ATOM 2006 C ASP B 40 147.539 8.014 10.436 1.00 0.29 C ATOM 2007 O ASP B 40 148.335 7.605 11.257 1.00 0.30 O ATOM 2008 CB ASP B 40 146.391 9.872 11.642 1.00 0.35 C ATOM 2009 CG ASP B 40 145.189 8.936 11.793 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.910 8.207 10.853 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.567 8.962 12.842 1.00 0.41 O ATOM 0 H ASP B 40 145.323 9.888 9.385 1.00 0.30 H new ATOM 0 HA ASP B 40 148.089 10.079 10.310 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.037 9.797 12.517 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.055 10.907 11.581 1.00 0.35 H new ATOM 2016 N LYS B 41 146.959 7.199 9.590 1.00 0.28 N ATOM 2017 CA LYS B 41 147.274 5.733 9.617 1.00 0.28 C ATOM 2018 C LYS B 41 147.447 5.192 8.193 1.00 0.23 C ATOM 2019 O LYS B 41 146.980 5.767 7.231 1.00 0.23 O ATOM 2020 CB LYS B 41 146.141 5.009 10.341 1.00 0.33 C ATOM 2021 CG LYS B 41 146.205 5.372 11.829 1.00 0.47 C ATOM 2022 CD LYS B 41 145.072 4.682 12.582 1.00 0.74 C ATOM 2023 CE LYS B 41 145.226 4.938 14.081 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.394 4.171 14.596 1.00 1.56 N ATOM 0 H LYS B 41 146.282 7.483 8.882 1.00 0.28 H new ATOM 0 HA LYS B 41 148.212 5.565 10.146 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.177 5.298 9.922 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.235 3.931 10.210 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.166 5.070 12.245 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.130 6.452 11.952 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.109 5.057 12.235 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.087 3.611 12.382 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.366 6.003 14.267 1.00 0.71 H new ATOM 0 HE3 LYS B 41 144.320 4.639 14.607 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.135 3.701 15.487 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 146.675 3.455 13.896 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 147.189 4.820 14.765 1.00 1.56 H new ATOM 2038 N ALA B 42 148.147 4.096 8.065 1.00 0.21 N ATOM 2039 CA ALA B 42 148.401 3.501 6.719 1.00 0.20 C ATOM 2040 C ALA B 42 147.111 2.987 6.074 1.00 0.18 C ATOM 2041 O ALA B 42 146.926 3.103 4.879 1.00 0.18 O ATOM 2042 CB ALA B 42 149.393 2.343 6.858 1.00 0.21 C ATOM 0 H ALA B 42 148.558 3.582 8.844 1.00 0.21 H new ATOM 0 HA ALA B 42 148.811 4.281 6.077 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.581 1.906 5.878 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.329 2.714 7.276 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.976 1.584 7.520 1.00 0.21 H new ATOM 2048 N TYR B 43 146.233 2.380 6.825 1.00 0.18 N ATOM 2049 CA TYR B 43 144.998 1.827 6.199 1.00 0.18 C ATOM 2050 C TYR B 43 144.178 2.939 5.535 1.00 0.17 C ATOM 2051 O TYR B 43 143.357 2.681 4.678 1.00 0.17 O ATOM 2052 CB TYR B 43 144.164 1.054 7.230 1.00 0.20 C ATOM 2053 CG TYR B 43 143.305 1.975 8.064 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.122 2.493 7.529 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.670 2.276 9.380 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.304 3.315 8.308 1.00 0.25 C ATOM 2057 CE2 TYR B 43 142.853 3.102 10.158 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.669 3.621 9.624 1.00 0.27 C ATOM 2059 OH TYR B 43 140.864 4.431 10.398 1.00 0.32 O ATOM 0 H TYR B 43 146.315 2.244 7.833 1.00 0.18 H new ATOM 0 HA TYR B 43 145.294 1.125 5.419 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.529 0.332 6.716 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.828 0.487 7.882 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.840 2.258 6.513 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.581 1.871 9.795 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.390 3.714 7.895 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.137 3.340 11.173 1.00 0.28 H new ATOM 0 HH TYR B 43 141.266 4.540 11.285 1.00 0.32 H new ATOM 2069 N VAL B 44 144.412 4.174 5.887 1.00 0.18 N ATOM 2070 CA VAL B 44 143.658 5.278 5.222 1.00 0.18 C ATOM 2071 C VAL B 44 144.331 5.544 3.868 1.00 0.17 C ATOM 2072 O VAL B 44 143.705 5.916 2.892 1.00 0.17 O ATOM 2073 CB VAL B 44 143.691 6.538 6.095 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.722 7.586 5.531 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.274 6.170 7.523 1.00 0.24 C ATOM 0 H VAL B 44 145.084 4.466 6.597 1.00 0.18 H new ATOM 0 HA VAL B 44 142.614 5.001 5.078 1.00 0.18 H new ATOM 0 HB VAL B 44 144.700 6.951 6.101 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.749 8.479 6.155 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.017 7.844 4.514 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.711 7.179 5.523 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.295 7.062 8.149 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.265 5.758 7.513 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.965 5.428 7.924 1.00 0.24 H new ATOM 2085 N VAL B 45 145.620 5.318 3.822 1.00 0.17 N ATOM 2086 CA VAL B 45 146.388 5.515 2.559 1.00 0.17 C ATOM 2087 C VAL B 45 146.129 4.313 1.650 1.00 0.15 C ATOM 2088 O VAL B 45 145.953 4.452 0.456 1.00 0.15 O ATOM 2089 CB VAL B 45 147.883 5.620 2.866 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.671 5.659 1.553 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.154 6.898 3.672 1.00 0.20 C ATOM 0 H VAL B 45 146.177 5.002 4.616 1.00 0.17 H new ATOM 0 HA VAL B 45 146.071 6.435 2.068 1.00 0.17 H new ATOM 0 HB VAL B 45 148.197 4.755 3.450 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.737 5.734 1.770 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.479 4.748 0.986 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.359 6.523 0.967 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.219 6.972 3.890 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.841 7.767 3.093 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.594 6.864 4.606 1.00 0.20 H new ATOM 2101 N LEU B 46 146.062 3.134 2.211 1.00 0.17 N ATOM 2102 CA LEU B 46 145.763 1.937 1.377 1.00 0.17 C ATOM 2103 C LEU B 46 144.408 2.182 0.721 1.00 0.17 C ATOM 2104 O LEU B 46 144.167 1.815 -0.410 1.00 0.17 O ATOM 2105 CB LEU B 46 145.702 0.685 2.272 1.00 0.22 C ATOM 2106 CG LEU B 46 145.136 -0.516 1.493 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.931 -0.738 0.200 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.223 -1.774 2.367 1.00 0.35 C ATOM 0 H LEU B 46 146.201 2.951 3.205 1.00 0.17 H new ATOM 0 HA LEU B 46 146.534 1.776 0.623 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.700 0.447 2.641 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.079 0.885 3.144 1.00 0.22 H new ATOM 0 HG LEU B 46 144.096 -0.313 1.236 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.518 -1.591 -0.339 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.865 0.153 -0.425 1.00 0.40 H new ATOM 0 HD13 LEU B 46 146.975 -0.934 0.444 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.823 -2.627 1.818 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.264 -1.966 2.626 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.644 -1.625 3.278 1.00 0.35 H new ATOM 2120 N GLY B 47 143.525 2.818 1.441 1.00 0.17 N ATOM 2121 CA GLY B 47 142.171 3.117 0.903 1.00 0.18 C ATOM 2122 C GLY B 47 142.282 3.930 -0.386 1.00 0.17 C ATOM 2123 O GLY B 47 141.593 3.671 -1.353 1.00 0.18 O ATOM 0 H GLY B 47 143.688 3.147 2.393 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.635 2.188 0.710 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.592 3.671 1.642 1.00 0.18 H new ATOM 2127 N GLN B 48 143.139 4.915 -0.413 1.00 0.17 N ATOM 2128 CA GLN B 48 143.276 5.743 -1.645 1.00 0.18 C ATOM 2129 C GLN B 48 143.698 4.849 -2.816 1.00 0.17 C ATOM 2130 O GLN B 48 143.194 4.970 -3.914 1.00 0.18 O ATOM 2131 CB GLN B 48 144.331 6.830 -1.407 1.00 0.18 C ATOM 2132 CG GLN B 48 144.425 7.743 -2.633 1.00 0.22 C ATOM 2133 CD GLN B 48 143.113 8.511 -2.798 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.801 9.381 -2.010 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.315 8.209 -3.786 1.00 1.09 N ATOM 0 H GLN B 48 143.747 5.181 0.361 1.00 0.17 H new ATOM 0 HA GLN B 48 142.322 6.214 -1.883 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.070 7.416 -0.526 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.300 6.371 -1.209 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.255 8.440 -2.518 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.627 7.151 -3.526 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.577 7.478 -4.448 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.430 8.704 -3.896 1.00 1.09 H new ATOM 2144 N PHE B 49 144.602 3.940 -2.587 1.00 0.17 N ATOM 2145 CA PHE B 49 145.041 3.021 -3.678 1.00 0.17 C ATOM 2146 C PHE B 49 143.830 2.228 -4.170 1.00 0.18 C ATOM 2147 O PHE B 49 143.655 1.991 -5.348 1.00 0.19 O ATOM 2148 CB PHE B 49 146.106 2.073 -3.121 1.00 0.18 C ATOM 2149 CG PHE B 49 146.524 1.072 -4.177 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.243 1.496 -5.300 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.202 -0.284 -4.024 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.639 0.568 -6.270 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.597 -1.212 -4.995 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.316 -0.786 -6.118 1.00 0.27 C ATOM 0 H PHE B 49 145.059 3.791 -1.687 1.00 0.17 H new ATOM 0 HA PHE B 49 145.462 3.584 -4.511 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.973 2.644 -2.789 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.716 1.549 -2.248 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.493 2.540 -5.418 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.649 -0.613 -3.157 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.194 0.896 -7.136 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.347 -2.256 -4.878 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.622 -1.502 -6.867 1.00 0.27 H new ATOM 2164 N LEU B 50 143.004 1.816 -3.265 1.00 0.18 N ATOM 2165 CA LEU B 50 141.802 1.033 -3.658 1.00 0.20 C ATOM 2166 C LEU B 50 140.830 1.954 -4.413 1.00 0.21 C ATOM 2167 O LEU B 50 140.209 1.554 -5.379 1.00 0.23 O ATOM 2168 CB LEU B 50 141.157 0.461 -2.390 1.00 0.22 C ATOM 2169 CG LEU B 50 142.167 -0.462 -1.676 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.623 -0.872 -0.298 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.432 -1.719 -2.524 1.00 0.27 C ATOM 0 H LEU B 50 143.104 1.985 -2.264 1.00 0.18 H new ATOM 0 HA LEU B 50 142.071 0.207 -4.317 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.854 1.270 -1.726 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.256 -0.096 -2.646 1.00 0.22 H new ATOM 0 HG LEU B 50 143.103 0.081 -1.545 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.343 -1.523 0.198 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.461 0.019 0.309 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.679 -1.403 -0.423 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.146 -2.361 -2.009 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.498 -2.261 -2.673 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.840 -1.426 -3.491 1.00 0.27 H new ATOM 2183 N VAL B 51 140.686 3.174 -3.974 1.00 0.21 N ATOM 2184 CA VAL B 51 139.746 4.124 -4.652 1.00 0.23 C ATOM 2185 C VAL B 51 140.248 4.485 -6.065 1.00 0.23 C ATOM 2186 O VAL B 51 139.482 4.893 -6.915 1.00 0.25 O ATOM 2187 CB VAL B 51 139.618 5.398 -3.804 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.889 6.490 -4.596 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.822 5.081 -2.536 1.00 0.27 C ATOM 0 H VAL B 51 141.180 3.560 -3.170 1.00 0.21 H new ATOM 0 HA VAL B 51 138.773 3.643 -4.751 1.00 0.23 H new ATOM 0 HB VAL B 51 140.615 5.753 -3.542 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.804 7.388 -3.984 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.451 6.719 -5.501 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.893 6.140 -4.866 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.728 5.982 -1.930 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.830 4.723 -2.809 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.340 4.312 -1.964 1.00 0.27 H new ATOM 2199 N LEU B 52 141.524 4.353 -6.316 1.00 0.22 N ATOM 2200 CA LEU B 52 142.061 4.708 -7.674 1.00 0.23 C ATOM 2201 C LEU B 52 142.045 3.476 -8.585 1.00 0.23 C ATOM 2202 O LEU B 52 142.700 3.447 -9.607 1.00 0.24 O ATOM 2203 CB LEU B 52 143.494 5.237 -7.555 1.00 0.24 C ATOM 2204 CG LEU B 52 143.515 6.550 -6.758 1.00 0.25 C ATOM 2205 CD1 LEU B 52 144.967 7.017 -6.614 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.690 7.633 -7.485 1.00 0.27 C ATOM 0 H LEU B 52 142.218 4.017 -5.648 1.00 0.22 H new ATOM 0 HA LEU B 52 141.428 5.483 -8.105 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.123 4.495 -7.063 1.00 0.24 H new ATOM 0 HB3 LEU B 52 143.912 5.400 -8.548 1.00 0.24 H new ATOM 0 HG LEU B 52 143.076 6.383 -5.774 1.00 0.25 H new ATOM 0 HD11 LEU B 52 144.995 7.949 -6.050 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.543 6.256 -6.087 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.397 7.178 -7.603 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.714 8.557 -6.908 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.114 7.811 -8.473 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.658 7.297 -7.588 1.00 0.27 H new ATOM 2218 N LYS B 53 141.302 2.464 -8.233 1.00 0.23 N ATOM 2219 CA LYS B 53 141.243 1.243 -9.093 1.00 0.24 C ATOM 2220 C LYS B 53 142.654 0.733 -9.396 1.00 0.24 C ATOM 2221 O LYS B 53 142.898 0.140 -10.428 1.00 0.30 O ATOM 2222 CB LYS B 53 140.528 1.576 -10.401 1.00 0.29 C ATOM 2223 CG LYS B 53 139.043 1.811 -10.117 1.00 0.39 C ATOM 2224 CD LYS B 53 138.289 2.042 -11.432 1.00 0.48 C ATOM 2225 CE LYS B 53 138.784 3.327 -12.109 1.00 0.92 C ATOM 2226 NZ LYS B 53 139.997 3.025 -12.921 1.00 1.71 N ATOM 0 H LYS B 53 140.732 2.427 -7.388 1.00 0.23 H new ATOM 0 HA LYS B 53 140.696 0.464 -8.562 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.969 2.464 -10.854 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.650 0.760 -11.114 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.624 0.952 -9.594 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.921 2.674 -9.462 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.436 1.192 -12.098 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.219 2.114 -11.238 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.001 3.741 -12.745 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.015 4.081 -11.357 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 140.805 3.565 -12.551 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 140.206 2.008 -12.867 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 139.827 3.292 -13.912 1.00 1.71 H new ATOM 2240 N LYS B 54 143.580 0.953 -8.498 1.00 0.23 N ATOM 2241 CA LYS B 54 144.982 0.477 -8.698 1.00 0.26 C ATOM 2242 C LYS B 54 145.582 1.099 -9.963 1.00 0.28 C ATOM 2243 O LYS B 54 146.565 0.615 -10.487 1.00 0.34 O ATOM 2244 CB LYS B 54 144.994 -1.053 -8.811 1.00 0.36 C ATOM 2245 CG LYS B 54 144.227 -1.653 -7.627 1.00 0.67 C ATOM 2246 CD LYS B 54 144.500 -3.157 -7.531 1.00 0.83 C ATOM 2247 CE LYS B 54 143.958 -3.867 -8.775 1.00 1.41 C ATOM 2248 NZ LYS B 54 143.905 -5.334 -8.519 1.00 2.25 N ATOM 0 H LYS B 54 143.421 1.450 -7.621 1.00 0.23 H new ATOM 0 HA LYS B 54 145.584 0.782 -7.842 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.537 -1.364 -9.751 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.020 -1.421 -8.819 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.528 -1.161 -6.702 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.158 -1.477 -7.749 1.00 0.67 H new ATOM 0 HD2 LYS B 54 145.571 -3.335 -7.438 1.00 0.83 H new ATOM 0 HD3 LYS B 54 144.030 -3.564 -6.636 1.00 0.83 H new ATOM 0 HE2 LYS B 54 142.964 -3.492 -9.018 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.596 -3.659 -9.634 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 143.537 -5.820 -9.362 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 144.861 -5.684 -8.307 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 143.280 -5.523 -7.710 1.00 2.25 H new ATOM 2262 N ASP B 55 145.035 2.181 -10.445 1.00 0.30 N ATOM 2263 CA ASP B 55 145.633 2.820 -11.650 1.00 0.39 C ATOM 2264 C ASP B 55 147.006 3.380 -11.247 1.00 0.38 C ATOM 2265 O ASP B 55 147.114 4.235 -10.389 1.00 0.37 O ATOM 2266 CB ASP B 55 144.712 3.940 -12.134 1.00 0.47 C ATOM 2267 CG ASP B 55 145.298 4.589 -13.388 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.509 4.713 -13.457 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.523 4.942 -14.262 1.00 1.54 O ATOM 0 H ASP B 55 144.211 2.645 -10.063 1.00 0.30 H new ATOM 0 HA ASP B 55 145.752 2.102 -12.461 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.721 3.540 -12.350 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.590 4.687 -11.350 1.00 0.47 H new ATOM 2274 N GLU B 56 148.055 2.856 -11.821 1.00 0.39 N ATOM 2275 CA GLU B 56 149.438 3.290 -11.447 1.00 0.38 C ATOM 2276 C GLU B 56 149.703 4.775 -11.739 1.00 0.38 C ATOM 2277 O GLU B 56 150.340 5.453 -10.964 1.00 0.38 O ATOM 2278 CB GLU B 56 150.444 2.437 -12.225 1.00 0.40 C ATOM 2279 CG GLU B 56 151.865 2.755 -11.751 1.00 0.41 C ATOM 2280 CD GLU B 56 152.859 1.826 -12.451 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.414 0.902 -13.111 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.051 2.052 -12.311 1.00 0.85 O ATOM 0 H GLU B 56 148.015 2.136 -12.543 1.00 0.39 H new ATOM 0 HA GLU B 56 149.545 3.154 -10.371 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.229 1.379 -12.077 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.354 2.634 -13.293 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.108 3.795 -11.969 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.935 2.631 -10.670 1.00 0.41 H new ATOM 2289 N ASP B 57 149.241 5.292 -12.840 1.00 0.40 N ATOM 2290 CA ASP B 57 149.507 6.731 -13.145 1.00 0.42 C ATOM 2291 C ASP B 57 148.731 7.637 -12.188 1.00 0.41 C ATOM 2292 O ASP B 57 149.236 8.641 -11.729 1.00 0.41 O ATOM 2293 CB ASP B 57 149.093 7.030 -14.590 1.00 0.45 C ATOM 2294 CG ASP B 57 150.071 6.358 -15.555 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.193 6.101 -15.150 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.683 6.112 -16.685 1.00 0.74 O ATOM 0 H ASP B 57 148.695 4.789 -13.540 1.00 0.40 H new ATOM 0 HA ASP B 57 150.572 6.926 -13.019 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.081 6.667 -14.771 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.081 8.107 -14.760 1.00 0.45 H new ATOM 2301 N LEU B 58 147.524 7.297 -11.879 1.00 0.40 N ATOM 2302 CA LEU B 58 146.751 8.160 -10.941 1.00 0.40 C ATOM 2303 C LEU B 58 147.334 8.024 -9.531 1.00 0.38 C ATOM 2304 O LEU B 58 147.460 8.992 -8.808 1.00 0.38 O ATOM 2305 CB LEU B 58 145.280 7.750 -10.918 1.00 0.41 C ATOM 2306 CG LEU B 58 144.664 7.881 -12.318 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.194 7.457 -12.252 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.762 9.337 -12.811 1.00 0.55 C ATOM 0 H LEU B 58 147.036 6.471 -12.225 1.00 0.40 H new ATOM 0 HA LEU B 58 146.822 9.194 -11.279 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.188 6.722 -10.569 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.733 8.376 -10.213 1.00 0.41 H new ATOM 0 HG LEU B 58 145.207 7.242 -13.014 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.745 7.546 -13.241 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.129 6.422 -11.915 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.661 8.101 -11.552 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.321 9.415 -13.805 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.225 9.991 -12.124 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.809 9.637 -12.854 1.00 0.55 H new ATOM 2320 N PHE B 59 147.706 6.833 -9.138 1.00 0.37 N ATOM 2321 CA PHE B 59 148.296 6.657 -7.780 1.00 0.35 C ATOM 2322 C PHE B 59 149.626 7.408 -7.699 1.00 0.36 C ATOM 2323 O PHE B 59 149.870 8.160 -6.777 1.00 0.35 O ATOM 2324 CB PHE B 59 148.519 5.170 -7.485 1.00 0.35 C ATOM 2325 CG PHE B 59 149.199 5.017 -6.141 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.434 4.918 -4.971 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.598 4.964 -6.066 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.066 4.768 -3.730 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.229 4.814 -4.824 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.464 4.716 -3.656 1.00 0.37 C ATOM 0 H PHE B 59 147.627 5.982 -9.694 1.00 0.37 H new ATOM 0 HA PHE B 59 147.606 7.060 -7.039 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.566 4.642 -7.484 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.131 4.721 -8.267 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.356 4.957 -5.026 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.190 5.039 -6.966 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.475 4.692 -2.829 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.307 4.774 -4.768 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.951 4.600 -2.699 1.00 0.37 H new ATOM 2340 N ARG B 60 150.498 7.200 -8.656 1.00 0.38 N ATOM 2341 CA ARG B 60 151.813 7.897 -8.618 1.00 0.39 C ATOM 2342 C ARG B 60 151.599 9.409 -8.678 1.00 0.40 C ATOM 2343 O ARG B 60 152.193 10.156 -7.927 1.00 0.39 O ATOM 2344 CB ARG B 60 152.676 7.453 -9.805 1.00 0.43 C ATOM 2345 CG ARG B 60 153.115 5.997 -9.608 1.00 0.44 C ATOM 2346 CD ARG B 60 154.144 5.622 -10.679 1.00 0.51 C ATOM 2347 NE ARG B 60 153.567 5.814 -12.040 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.363 5.903 -13.072 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.655 5.849 -12.903 1.00 1.15 N ATOM 2350 NH2 ARG B 60 153.869 6.051 -14.271 1.00 2.64 N ATOM 0 H ARG B 60 150.354 6.582 -9.454 1.00 0.38 H new ATOM 0 HA ARG B 60 152.323 7.641 -7.689 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.113 7.551 -10.733 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.550 8.098 -9.893 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.545 5.867 -8.615 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.252 5.334 -9.671 1.00 0.44 H new ATOM 0 HD2 ARG B 60 155.038 6.236 -10.565 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.452 4.584 -10.550 1.00 0.51 H new ATOM 0 HE ARG B 60 152.557 5.876 -12.165 1.00 1.31 H new ATOM 0 HH11 ARG B 60 156.043 5.737 -11.966 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.278 5.918 -13.708 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.859 6.097 -14.404 1.00 2.64 H new ATOM 0 HH22 ARG B 60 154.493 6.120 -15.075 1.00 2.64 H new ATOM 2364 N GLU B 61 150.747 9.873 -9.554 1.00 0.42 N ATOM 2365 CA GLU B 61 150.497 11.336 -9.635 1.00 0.44 C ATOM 2366 C GLU B 61 149.866 11.799 -8.322 1.00 0.42 C ATOM 2367 O GLU B 61 150.177 12.855 -7.809 1.00 0.43 O ATOM 2368 CB GLU B 61 149.544 11.637 -10.798 1.00 0.48 C ATOM 2369 CG GLU B 61 149.361 13.152 -10.930 1.00 1.30 C ATOM 2370 CD GLU B 61 148.471 13.458 -12.137 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.145 12.529 -12.859 1.00 2.38 O ATOM 2372 OE2 GLU B 61 148.129 14.616 -12.317 1.00 2.33 O ATOM 0 H GLU B 61 150.217 9.302 -10.213 1.00 0.42 H new ATOM 0 HA GLU B 61 151.437 11.862 -9.803 1.00 0.44 H new ATOM 0 HB2 GLU B 61 149.944 11.226 -11.725 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.580 11.157 -10.626 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.911 13.555 -10.022 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.330 13.637 -11.048 1.00 1.30 H new ATOM 2379 N TRP B 62 148.984 11.014 -7.772 1.00 0.40 N ATOM 2380 CA TRP B 62 148.340 11.412 -6.489 1.00 0.39 C ATOM 2381 C TRP B 62 149.366 11.431 -5.353 1.00 0.36 C ATOM 2382 O TRP B 62 149.434 12.367 -4.586 1.00 0.36 O ATOM 2383 CB TRP B 62 147.224 10.420 -6.130 1.00 0.38 C ATOM 2384 CG TRP B 62 146.725 10.725 -4.751 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.766 11.630 -4.450 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.172 10.162 -3.482 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.592 11.655 -3.076 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.436 10.765 -2.436 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.134 9.192 -3.144 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.651 10.418 -1.097 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.350 8.840 -1.802 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.610 9.451 -0.781 1.00 0.32 C ATOM 0 H TRP B 62 148.681 10.117 -8.153 1.00 0.40 H new ATOM 0 HA TRP B 62 147.923 12.411 -6.616 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.409 10.494 -6.850 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.600 9.398 -6.177 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.225 12.234 -5.163 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.923 12.256 -2.595 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.710 8.715 -3.923 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.080 10.894 -0.314 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.091 8.094 -1.555 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.780 9.175 0.249 1.00 0.32 H new ATOM 2403 N LEU B 63 150.158 10.405 -5.235 1.00 0.34 N ATOM 2404 CA LEU B 63 151.166 10.366 -4.140 1.00 0.32 C ATOM 2405 C LEU B 63 152.205 11.465 -4.361 1.00 0.33 C ATOM 2406 O LEU B 63 152.511 12.234 -3.471 1.00 0.32 O ATOM 2407 CB LEU B 63 151.836 8.984 -4.132 1.00 0.31 C ATOM 2408 CG LEU B 63 152.918 8.909 -3.045 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.305 9.159 -1.659 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.560 7.516 -3.084 1.00 0.32 C ATOM 0 H LEU B 63 150.152 9.591 -5.849 1.00 0.34 H new ATOM 0 HA LEU B 63 150.683 10.536 -3.178 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.086 8.212 -3.959 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.280 8.784 -5.107 1.00 0.31 H new ATOM 0 HG LEU B 63 153.671 9.674 -3.231 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.086 9.102 -0.900 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.848 10.148 -1.636 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.546 8.404 -1.455 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.331 7.449 -2.316 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.798 6.759 -2.900 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.008 7.349 -4.064 1.00 0.32 H new ATOM 2422 N LYS B 64 152.735 11.551 -5.544 1.00 0.35 N ATOM 2423 CA LYS B 64 153.742 12.606 -5.840 1.00 0.37 C ATOM 2424 C LYS B 64 153.121 13.990 -5.660 1.00 0.38 C ATOM 2425 O LYS B 64 153.676 14.854 -5.011 1.00 0.38 O ATOM 2426 CB LYS B 64 154.242 12.453 -7.273 1.00 0.41 C ATOM 2427 CG LYS B 64 155.270 13.548 -7.566 1.00 0.43 C ATOM 2428 CD LYS B 64 156.005 13.239 -8.872 1.00 0.68 C ATOM 2429 CE LYS B 64 155.013 13.222 -10.037 1.00 1.24 C ATOM 2430 NZ LYS B 64 155.760 13.316 -11.322 1.00 2.10 N ATOM 0 H LYS B 64 152.514 10.933 -6.325 1.00 0.35 H new ATOM 0 HA LYS B 64 154.579 12.499 -5.150 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.691 11.469 -7.411 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.408 12.524 -7.971 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.773 14.515 -7.639 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.984 13.618 -6.745 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.777 13.988 -9.051 1.00 0.68 H new ATOM 0 HD3 LYS B 64 156.508 12.275 -8.797 1.00 0.68 H new ATOM 0 HE2 LYS B 64 154.422 12.306 -10.013 1.00 1.24 H new ATOM 0 HE3 LYS B 64 154.315 14.054 -9.947 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 155.088 13.305 -12.116 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 156.305 14.201 -11.343 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.409 12.508 -11.406 1.00 2.10 H new ATOM 2444 N ASP B 65 151.973 14.205 -6.237 1.00 0.41 N ATOM 2445 CA ASP B 65 151.310 15.533 -6.111 1.00 0.44 C ATOM 2446 C ASP B 65 150.846 15.740 -4.671 1.00 0.43 C ATOM 2447 O ASP B 65 150.686 16.855 -4.215 1.00 0.45 O ATOM 2448 CB ASP B 65 150.104 15.603 -7.048 1.00 0.48 C ATOM 2449 CG ASP B 65 149.535 17.024 -7.040 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.031 17.433 -6.006 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.614 17.680 -8.065 1.00 1.41 O ATOM 0 H ASP B 65 151.464 13.517 -6.792 1.00 0.41 H new ATOM 0 HA ASP B 65 152.022 16.313 -6.381 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.399 15.323 -8.059 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.341 14.892 -6.730 1.00 0.48 H new ATOM 2456 N THR B 66 150.587 14.676 -3.960 1.00 0.39 N ATOM 2457 CA THR B 66 150.087 14.814 -2.564 1.00 0.39 C ATOM 2458 C THR B 66 151.230 15.124 -1.590 1.00 0.38 C ATOM 2459 O THR B 66 151.014 15.816 -0.615 1.00 0.40 O ATOM 2460 CB THR B 66 149.390 13.510 -2.144 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.182 13.367 -2.878 1.00 0.37 O ATOM 2462 CG2 THR B 66 149.068 13.534 -0.647 1.00 0.38 C ATOM 0 H THR B 66 150.701 13.717 -4.287 1.00 0.39 H new ATOM 0 HA THR B 66 149.382 15.644 -2.531 1.00 0.39 H new ATOM 0 HB THR B 66 150.056 12.672 -2.350 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.387 13.088 -3.795 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.575 12.603 -0.366 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.991 13.641 -0.078 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.408 14.374 -0.430 1.00 0.38 H new ATOM 2470 N CYS B 67 152.426 14.605 -1.790 1.00 0.36 N ATOM 2471 CA CYS B 67 153.530 14.875 -0.801 1.00 0.37 C ATOM 2472 C CYS B 67 154.842 15.265 -1.486 1.00 0.37 C ATOM 2473 O CYS B 67 155.699 15.879 -0.883 1.00 0.39 O ATOM 2474 CB CYS B 67 153.765 13.610 0.023 1.00 0.36 C ATOM 2475 SG CYS B 67 154.061 12.210 -1.085 1.00 0.36 S ATOM 0 H CYS B 67 152.683 14.016 -2.582 1.00 0.36 H new ATOM 0 HA CYS B 67 153.221 15.711 -0.174 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.619 13.749 0.686 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.900 13.410 0.655 1.00 0.36 H new ATOM 0 HG CYS B 67 153.115 12.154 -1.975 1.00 0.36 H new ATOM 2481 N GLY B 68 155.018 14.908 -2.732 1.00 0.35 N ATOM 2482 CA GLY B 68 156.288 15.253 -3.451 1.00 0.36 C ATOM 2483 C GLY B 68 157.188 14.016 -3.528 1.00 0.34 C ATOM 2484 O GLY B 68 158.348 14.107 -3.876 1.00 0.33 O ATOM 0 H GLY B 68 154.336 14.391 -3.287 1.00 0.35 H new ATOM 0 HA2 GLY B 68 156.063 15.614 -4.454 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.805 16.059 -2.930 1.00 0.36 H new ATOM 2488 N ALA B 69 156.671 12.856 -3.214 1.00 0.32 N ATOM 2489 CA ALA B 69 157.514 11.626 -3.284 1.00 0.31 C ATOM 2490 C ALA B 69 158.215 11.573 -4.642 1.00 0.31 C ATOM 2491 O ALA B 69 157.745 12.135 -5.611 1.00 0.32 O ATOM 2492 CB ALA B 69 156.628 10.390 -3.124 1.00 0.31 C ATOM 0 H ALA B 69 155.707 12.708 -2.914 1.00 0.32 H new ATOM 0 HA ALA B 69 158.257 11.647 -2.486 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.244 9.492 -3.175 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.121 10.428 -2.160 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.887 10.368 -3.923 1.00 0.31 H new ATOM 2498 N ASN B 70 159.343 10.917 -4.726 1.00 0.29 N ATOM 2499 CA ASN B 70 160.068 10.854 -6.029 1.00 0.29 C ATOM 2500 C ASN B 70 159.562 9.666 -6.847 1.00 0.29 C ATOM 2501 O ASN B 70 158.826 8.827 -6.364 1.00 0.29 O ATOM 2502 CB ASN B 70 161.566 10.673 -5.773 1.00 0.29 C ATOM 2503 CG ASN B 70 162.149 11.951 -5.166 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.606 11.949 -4.041 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.156 13.050 -5.869 1.00 1.78 N ATOM 0 H ASN B 70 159.791 10.425 -3.953 1.00 0.29 H new ATOM 0 HA ASN B 70 159.892 11.780 -6.577 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.730 9.832 -5.099 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.077 10.437 -6.706 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.545 13.906 -5.473 1.00 1.78 H new ATOM 0 HD22 ASN B 70 161.773 13.053 -6.814 1.00 1.78 H new ATOM 2512 N ALA B 71 159.949 9.599 -8.089 1.00 0.31 N ATOM 2513 CA ALA B 71 159.500 8.482 -8.964 1.00 0.33 C ATOM 2514 C ALA B 71 159.953 7.138 -8.386 1.00 0.31 C ATOM 2515 O ALA B 71 159.280 6.138 -8.528 1.00 0.31 O ATOM 2516 CB ALA B 71 160.100 8.658 -10.358 1.00 0.38 C ATOM 0 H ALA B 71 160.563 10.277 -8.540 1.00 0.31 H new ATOM 0 HA ALA B 71 158.412 8.495 -9.022 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.773 7.841 -11.001 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.768 9.607 -10.780 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.188 8.652 -10.289 1.00 0.38 H new ATOM 2522 N LYS B 72 161.088 7.097 -7.741 1.00 0.29 N ATOM 2523 CA LYS B 72 161.558 5.800 -7.175 1.00 0.28 C ATOM 2524 C LYS B 72 160.720 5.437 -5.947 1.00 0.26 C ATOM 2525 O LYS B 72 160.385 4.289 -5.724 1.00 0.26 O ATOM 2526 CB LYS B 72 163.038 5.903 -6.790 1.00 0.28 C ATOM 2527 CG LYS B 72 163.206 6.834 -5.589 1.00 1.18 C ATOM 2528 CD LYS B 72 164.694 7.101 -5.362 1.00 1.28 C ATOM 2529 CE LYS B 72 164.885 7.827 -4.029 1.00 2.10 C ATOM 2530 NZ LYS B 72 166.339 7.926 -3.720 1.00 2.57 N ATOM 0 H LYS B 72 161.703 7.895 -7.583 1.00 0.29 H new ATOM 0 HA LYS B 72 161.443 5.019 -7.927 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.429 4.914 -6.551 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.616 6.278 -7.634 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.679 7.772 -5.765 1.00 1.18 H new ATOM 0 HG3 LYS B 72 162.766 6.383 -4.700 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.247 6.161 -5.359 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.095 7.704 -6.177 1.00 1.28 H new ATOM 0 HE2 LYS B 72 164.445 8.823 -4.079 1.00 2.10 H new ATOM 0 HE3 LYS B 72 164.369 7.290 -3.233 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 166.469 8.420 -2.814 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 166.746 6.971 -3.655 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 166.819 8.457 -4.475 1.00 2.57 H new ATOM 2544 N GLN B 73 160.389 6.410 -5.140 1.00 0.25 N ATOM 2545 CA GLN B 73 159.588 6.137 -3.914 1.00 0.24 C ATOM 2546 C GLN B 73 158.190 5.661 -4.287 1.00 0.25 C ATOM 2547 O GLN B 73 157.615 4.818 -3.626 1.00 0.25 O ATOM 2548 CB GLN B 73 159.473 7.416 -3.082 1.00 0.26 C ATOM 2549 CG GLN B 73 160.832 7.755 -2.470 1.00 0.28 C ATOM 2550 CD GLN B 73 160.770 9.145 -1.833 1.00 1.25 C ATOM 2551 OE1 GLN B 73 159.934 9.950 -2.188 1.00 2.12 O ATOM 2552 NE2 GLN B 73 161.622 9.460 -0.897 1.00 1.89 N ATOM 0 H GLN B 73 160.642 7.388 -5.280 1.00 0.25 H new ATOM 0 HA GLN B 73 160.089 5.359 -3.337 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.130 8.239 -3.708 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.731 7.284 -2.294 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.101 7.011 -1.720 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.606 7.729 -3.237 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.325 8.784 -0.598 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.586 10.383 -0.464 1.00 1.89 H new ATOM 2561 N SER B 74 157.629 6.201 -5.330 1.00 0.26 N ATOM 2562 CA SER B 74 156.262 5.788 -5.728 1.00 0.27 C ATOM 2563 C SER B 74 156.274 4.332 -6.201 1.00 0.26 C ATOM 2564 O SER B 74 155.343 3.589 -5.963 1.00 0.26 O ATOM 2565 CB SER B 74 155.773 6.693 -6.858 1.00 0.30 C ATOM 2566 OG SER B 74 156.181 6.149 -8.107 1.00 1.36 O ATOM 0 H SER B 74 158.060 6.910 -5.923 1.00 0.26 H new ATOM 0 HA SER B 74 155.593 5.876 -4.872 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.687 6.781 -6.824 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.178 7.697 -6.736 1.00 0.30 H new ATOM 0 HG SER B 74 157.157 6.192 -8.179 1.00 1.36 H new ATOM 2572 N ARG B 75 157.312 3.914 -6.877 1.00 0.27 N ATOM 2573 CA ARG B 75 157.374 2.510 -7.365 1.00 0.27 C ATOM 2574 C ARG B 75 157.304 1.559 -6.171 1.00 0.26 C ATOM 2575 O ARG B 75 156.688 0.514 -6.242 1.00 0.26 O ATOM 2576 CB ARG B 75 158.694 2.291 -8.119 1.00 0.29 C ATOM 2577 CG ARG B 75 158.729 3.136 -9.403 1.00 0.32 C ATOM 2578 CD ARG B 75 157.931 2.453 -10.522 1.00 0.61 C ATOM 2579 NE ARG B 75 158.075 3.239 -11.781 1.00 1.35 N ATOM 2580 CZ ARG B 75 157.781 2.689 -12.927 1.00 1.82 C ATOM 2581 NH1 ARG B 75 157.407 1.441 -12.971 1.00 1.89 N ATOM 2582 NH2 ARG B 75 157.868 3.384 -14.030 1.00 2.81 N ATOM 0 H ARG B 75 158.121 4.489 -7.112 1.00 0.27 H new ATOM 0 HA ARG B 75 156.537 2.316 -8.036 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.534 2.558 -7.478 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.806 1.236 -8.368 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.315 4.125 -9.205 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.761 3.281 -9.721 1.00 0.32 H new ATOM 0 HD2 ARG B 75 158.291 1.435 -10.672 1.00 0.61 H new ATOM 0 HD3 ARG B 75 156.880 2.381 -10.243 1.00 0.61 H new ATOM 0 HE ARG B 75 158.403 4.204 -11.746 1.00 1.35 H new ATOM 0 HH11 ARG B 75 157.345 0.897 -12.111 1.00 1.89 H new ATOM 0 HH12 ARG B 75 157.177 1.009 -13.866 1.00 1.89 H new ATOM 0 HH21 ARG B 75 158.166 4.359 -13.996 1.00 2.81 H new ATOM 0 HH22 ARG B 75 157.638 2.952 -14.925 1.00 2.81 H new ATOM 2596 N ASP B 76 157.947 1.884 -5.080 1.00 0.24 N ATOM 2597 CA ASP B 76 157.934 0.976 -3.899 1.00 0.24 C ATOM 2598 C ASP B 76 156.543 0.910 -3.273 1.00 0.22 C ATOM 2599 O ASP B 76 156.096 -0.142 -2.864 1.00 0.22 O ATOM 2600 CB ASP B 76 158.920 1.497 -2.851 1.00 0.23 C ATOM 2601 CG ASP B 76 160.352 1.310 -3.352 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.551 0.480 -4.223 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.227 2.000 -2.854 1.00 0.39 O ATOM 0 H ASP B 76 158.482 2.743 -4.957 1.00 0.24 H new ATOM 0 HA ASP B 76 158.218 -0.022 -4.232 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.729 2.551 -2.651 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.781 0.964 -1.910 1.00 0.23 H new ATOM 2608 N CYS B 77 155.846 2.009 -3.189 1.00 0.22 N ATOM 2609 CA CYS B 77 154.487 1.971 -2.581 1.00 0.21 C ATOM 2610 C CYS B 77 153.523 1.189 -3.475 1.00 0.22 C ATOM 2611 O CYS B 77 152.688 0.452 -2.992 1.00 0.21 O ATOM 2612 CB CYS B 77 153.971 3.402 -2.413 1.00 0.22 C ATOM 2613 SG CYS B 77 154.849 4.200 -1.045 1.00 0.23 S ATOM 0 H CYS B 77 156.156 2.925 -3.512 1.00 0.22 H new ATOM 0 HA CYS B 77 154.547 1.477 -1.611 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.121 3.965 -3.334 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.899 3.393 -2.216 1.00 0.22 H new ATOM 0 HG CYS B 77 155.337 3.291 -0.254 1.00 0.23 H new ATOM 2619 N PHE B 78 153.601 1.346 -4.768 1.00 0.23 N ATOM 2620 CA PHE B 78 152.647 0.611 -5.641 1.00 0.25 C ATOM 2621 C PHE B 78 152.804 -0.896 -5.420 1.00 0.24 C ATOM 2622 O PHE B 78 151.871 -1.578 -5.046 1.00 0.23 O ATOM 2623 CB PHE B 78 152.929 0.959 -7.105 1.00 0.28 C ATOM 2624 CG PHE B 78 151.930 0.262 -7.994 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.725 0.897 -8.322 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.207 -1.015 -8.494 1.00 0.38 C ATOM 2627 CE1 PHE B 78 149.798 0.254 -9.149 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.280 -1.660 -9.321 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.076 -1.024 -9.648 1.00 0.42 C ATOM 0 H PHE B 78 154.273 1.942 -5.251 1.00 0.23 H new ATOM 0 HA PHE B 78 151.626 0.900 -5.393 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.870 2.038 -7.251 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.942 0.657 -7.372 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.512 1.883 -7.936 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.137 -1.503 -8.242 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.869 0.743 -9.402 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.493 -2.646 -9.706 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.360 -1.521 -10.287 1.00 0.42 H new ATOM 2639 N GLY B 79 153.975 -1.422 -5.656 1.00 0.25 N ATOM 2640 CA GLY B 79 154.198 -2.886 -5.466 1.00 0.25 C ATOM 2641 C GLY B 79 153.935 -3.286 -4.011 1.00 0.23 C ATOM 2642 O GLY B 79 153.485 -4.378 -3.727 1.00 0.24 O ATOM 0 H GLY B 79 154.791 -0.899 -5.974 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.540 -3.449 -6.128 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.221 -3.142 -5.740 1.00 0.25 H new ATOM 2646 N CYS B 80 154.218 -2.414 -3.086 1.00 0.22 N ATOM 2647 CA CYS B 80 153.990 -2.756 -1.653 1.00 0.21 C ATOM 2648 C CYS B 80 152.495 -2.810 -1.350 1.00 0.21 C ATOM 2649 O CYS B 80 152.002 -3.778 -0.805 1.00 0.22 O ATOM 2650 CB CYS B 80 154.645 -1.696 -0.770 1.00 0.22 C ATOM 2651 SG CYS B 80 154.556 -2.217 0.960 1.00 0.24 S ATOM 0 H CYS B 80 154.596 -1.482 -3.257 1.00 0.22 H new ATOM 0 HA CYS B 80 154.428 -3.733 -1.450 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.684 -1.553 -1.065 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.142 -0.738 -0.899 1.00 0.22 H new ATOM 0 HG CYS B 80 153.562 -3.041 1.115 1.00 0.24 H new ATOM 2657 N LEU B 81 151.760 -1.795 -1.709 1.00 0.21 N ATOM 2658 CA LEU B 81 150.296 -1.840 -1.441 1.00 0.21 C ATOM 2659 C LEU B 81 149.662 -2.872 -2.376 1.00 0.21 C ATOM 2660 O LEU B 81 148.787 -3.622 -1.993 1.00 0.22 O ATOM 2661 CB LEU B 81 149.682 -0.467 -1.727 1.00 0.22 C ATOM 2662 CG LEU B 81 150.328 0.598 -0.830 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.684 1.957 -1.122 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.145 0.236 0.656 1.00 0.28 C ATOM 0 H LEU B 81 152.101 -0.951 -2.168 1.00 0.21 H new ATOM 0 HA LEU B 81 150.117 -2.109 -0.400 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.827 -0.207 -2.776 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.607 -0.497 -1.552 1.00 0.22 H new ATOM 0 HG LEU B 81 151.396 0.644 -1.041 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.138 2.719 -0.488 1.00 0.29 H new ATOM 0 HD12 LEU B 81 149.840 2.216 -2.169 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.615 1.905 -0.917 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.609 1.002 1.277 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.082 0.176 0.888 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.615 -0.727 0.856 1.00 0.28 H new ATOM 2676 N ARG B 82 150.099 -2.907 -3.607 1.00 0.22 N ATOM 2677 CA ARG B 82 149.530 -3.877 -4.582 1.00 0.24 C ATOM 2678 C ARG B 82 149.783 -5.309 -4.111 1.00 0.25 C ATOM 2679 O ARG B 82 148.930 -6.167 -4.221 1.00 0.26 O ATOM 2680 CB ARG B 82 150.190 -3.659 -5.947 1.00 0.28 C ATOM 2681 CG ARG B 82 149.620 -4.654 -6.993 1.00 0.32 C ATOM 2682 CD ARG B 82 150.606 -5.806 -7.226 1.00 0.85 C ATOM 2683 NE ARG B 82 151.696 -5.339 -8.129 1.00 1.42 N ATOM 2684 CZ ARG B 82 152.791 -6.037 -8.245 1.00 1.96 C ATOM 2685 NH1 ARG B 82 152.922 -7.162 -7.596 1.00 2.26 N ATOM 2686 NH2 ARG B 82 153.753 -5.614 -9.018 1.00 2.74 N ATOM 0 H ARG B 82 150.830 -2.301 -3.979 1.00 0.22 H new ATOM 0 HA ARG B 82 148.454 -3.720 -4.661 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.020 -2.635 -6.280 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.269 -3.791 -5.861 1.00 0.28 H new ATOM 0 HG2 ARG B 82 148.665 -5.049 -6.647 1.00 0.32 H new ATOM 0 HG3 ARG B 82 149.429 -4.135 -7.932 1.00 0.32 H new ATOM 0 HD2 ARG B 82 151.022 -6.143 -6.277 1.00 0.85 H new ATOM 0 HD3 ARG B 82 150.091 -6.659 -7.668 1.00 0.85 H new ATOM 0 HE ARG B 82 151.585 -4.473 -8.656 1.00 1.42 H new ATOM 0 HH11 ARG B 82 152.167 -7.496 -6.997 1.00 2.26 H new ATOM 0 HH12 ARG B 82 153.779 -7.707 -7.688 1.00 2.26 H new ATOM 0 HH21 ARG B 82 153.648 -4.738 -9.530 1.00 2.74 H new ATOM 0 HH22 ARG B 82 154.610 -6.159 -9.110 1.00 2.74 H new ATOM 2700 N GLU B 83 150.951 -5.581 -3.593 1.00 0.25 N ATOM 2701 CA GLU B 83 151.258 -6.961 -3.121 1.00 0.27 C ATOM 2702 C GLU B 83 150.449 -7.291 -1.868 1.00 0.27 C ATOM 2703 O GLU B 83 149.971 -8.397 -1.717 1.00 0.28 O ATOM 2704 CB GLU B 83 152.757 -7.091 -2.827 1.00 0.29 C ATOM 2705 CG GLU B 83 153.534 -7.168 -4.146 1.00 0.33 C ATOM 2706 CD GLU B 83 153.369 -8.561 -4.760 1.00 1.20 C ATOM 2707 OE1 GLU B 83 154.130 -9.442 -4.395 1.00 1.57 O ATOM 2708 OE2 GLU B 83 152.488 -8.723 -5.589 1.00 1.91 O ATOM 0 H GLU B 83 151.706 -4.906 -3.477 1.00 0.25 H new ATOM 0 HA GLU B 83 150.985 -7.666 -3.906 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.098 -6.238 -2.241 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.945 -7.983 -2.230 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.170 -6.409 -4.839 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.589 -6.960 -3.970 1.00 0.33 H new ATOM 2715 N TRP B 84 150.263 -6.359 -0.966 1.00 0.25 N ATOM 2716 CA TRP B 84 149.450 -6.671 0.243 1.00 0.25 C ATOM 2717 C TRP B 84 148.054 -7.069 -0.222 1.00 0.26 C ATOM 2718 O TRP B 84 147.465 -8.013 0.264 1.00 0.28 O ATOM 2719 CB TRP B 84 149.350 -5.444 1.152 1.00 0.25 C ATOM 2720 CG TRP B 84 148.584 -5.813 2.384 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.138 -6.297 3.518 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.146 -5.760 2.622 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.137 -6.539 4.439 1.00 0.32 N ATOM 2724 CE2 TRP B 84 146.891 -6.226 3.936 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.051 -5.357 1.837 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.597 -6.290 4.451 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.745 -5.420 2.353 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.518 -5.886 3.657 1.00 0.36 C ATOM 0 H TRP B 84 150.634 -5.410 -1.015 1.00 0.25 H new ATOM 0 HA TRP B 84 149.919 -7.478 0.805 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.346 -5.091 1.419 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.852 -4.627 0.629 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.192 -6.467 3.678 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.299 -6.905 5.377 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.214 -4.997 0.832 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.429 -6.649 5.456 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 143.911 -5.108 1.742 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.512 -5.933 4.047 1.00 0.36 H new ATOM 2739 N CYS B 85 147.519 -6.343 -1.165 1.00 0.27 N ATOM 2740 CA CYS B 85 146.158 -6.655 -1.671 1.00 0.30 C ATOM 2741 C CYS B 85 146.141 -8.068 -2.255 1.00 0.33 C ATOM 2742 O CYS B 85 145.203 -8.819 -2.081 1.00 0.36 O ATOM 2743 CB CYS B 85 145.805 -5.643 -2.768 1.00 0.33 C ATOM 2744 SG CYS B 85 145.280 -4.088 -2.007 1.00 0.33 S ATOM 0 H CYS B 85 147.971 -5.543 -1.608 1.00 0.27 H new ATOM 0 HA CYS B 85 145.433 -6.597 -0.859 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.668 -5.472 -3.412 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.009 -6.038 -3.400 1.00 0.33 H new ATOM 0 HG CYS B 85 144.823 -3.288 -2.924 1.00 0.33 H new ATOM 2750 N ASP B 86 147.174 -8.432 -2.946 1.00 0.34 N ATOM 2751 CA ASP B 86 147.228 -9.787 -3.549 1.00 0.40 C ATOM 2752 C ASP B 86 147.139 -10.851 -2.450 1.00 0.41 C ATOM 2753 O ASP B 86 146.600 -11.920 -2.650 1.00 0.43 O ATOM 2754 CB ASP B 86 148.543 -9.941 -4.317 1.00 0.42 C ATOM 2755 CG ASP B 86 148.510 -9.056 -5.567 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.424 -8.668 -5.967 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.570 -8.783 -6.105 1.00 0.52 O ATOM 0 H ASP B 86 147.991 -7.847 -3.122 1.00 0.34 H new ATOM 0 HA ASP B 86 146.388 -9.917 -4.232 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.383 -9.660 -3.681 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.692 -10.983 -4.600 1.00 0.42 H new ATOM 2762 N ALA B 87 147.678 -10.574 -1.290 1.00 0.40 N ATOM 2763 CA ALA B 87 147.640 -11.583 -0.187 1.00 0.43 C ATOM 2764 C ALA B 87 146.417 -11.368 0.717 1.00 0.43 C ATOM 2765 O ALA B 87 145.864 -12.313 1.246 1.00 0.47 O ATOM 2766 CB ALA B 87 148.916 -11.457 0.647 1.00 0.40 C ATOM 0 H ALA B 87 148.142 -9.695 -1.059 1.00 0.40 H new ATOM 0 HA ALA B 87 147.570 -12.578 -0.626 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.897 -12.189 1.454 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.784 -11.638 0.013 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.977 -10.454 1.069 1.00 0.40 H new ATOM 2772 N PHE B 88 146.005 -10.139 0.924 1.00 0.39 N ATOM 2773 CA PHE B 88 144.832 -9.863 1.828 1.00 0.44 C ATOM 2774 C PHE B 88 143.610 -9.383 1.038 1.00 0.54 C ATOM 2775 O PHE B 88 142.592 -9.051 1.612 1.00 1.24 O ATOM 2776 CB PHE B 88 145.217 -8.783 2.837 1.00 0.41 C ATOM 2777 CG PHE B 88 146.310 -9.300 3.734 1.00 0.38 C ATOM 2778 CD1 PHE B 88 145.986 -10.009 4.895 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.650 -9.064 3.409 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.002 -10.483 5.730 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.665 -9.533 4.245 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.343 -10.244 5.406 1.00 0.44 C ATOM 0 H PHE B 88 146.429 -9.310 0.507 1.00 0.39 H new ATOM 0 HA PHE B 88 144.573 -10.793 2.334 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.553 -7.887 2.316 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.348 -8.499 3.431 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.951 -10.190 5.146 1.00 0.43 H new ATOM 0 HD2 PHE B 88 147.899 -8.519 2.511 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.753 -11.034 6.625 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.699 -9.347 3.995 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.128 -10.608 6.052 1.00 0.44 H new ATOM 2792 N LEU B 89 143.700 -9.308 -0.263 1.00 0.39 N ATOM 2793 CA LEU B 89 142.544 -8.808 -1.071 1.00 0.36 C ATOM 2794 C LEU B 89 142.470 -9.589 -2.387 1.00 0.87 C ATOM 2795 O LEU B 89 142.336 -8.958 -3.422 1.00 1.43 O ATOM 2796 CB LEU B 89 142.784 -7.320 -1.358 1.00 0.74 C ATOM 2797 CG LEU B 89 141.487 -6.614 -1.799 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.644 -6.230 -0.572 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.852 -5.339 -2.582 1.00 1.27 C ATOM 2800 OXT LEU B 89 142.549 -10.805 -2.334 1.00 1.67 O ATOM 0 H LEU B 89 144.524 -9.571 -0.804 1.00 0.39 H new ATOM 0 HA LEU B 89 141.606 -8.942 -0.532 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.178 -6.835 -0.465 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.539 -7.216 -2.137 1.00 0.74 H new ATOM 0 HG LEU B 89 140.908 -7.290 -2.428 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.731 -5.732 -0.899 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.386 -7.129 -0.012 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.216 -5.556 0.066 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.940 -4.833 -2.898 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.434 -4.674 -1.944 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.441 -5.607 -3.459 1.00 1.27 H new TER 2812 LEU B 89