USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN :FLIP amide:sc= -1.38 F(o=-2.5,f=-2) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.632 K(o=-2,f=-2.5!) USER MOD Set 2.1: A 52 CYS SG : rot -58:sc= -5.64! USER MOD Set 2.2: A 59 MET CE :methyl 177:sc= -6.05! (180deg=-6!) USER MOD Set 3.1: A 32 SER OG : rot -179:sc= -0.284 USER MOD Set 3.2: A 51 TYR OH : rot 30:sc= -0.343 USER MOD Set 3.3: A 55 GLN :FLIP amide:sc= -1.87 F(o=-4.4!,f=-2.5) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0991 (180deg=-0.591) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.925 (180deg=-0.244) USER MOD Single : A 2 SER OG : rot -47:sc= 0.933 USER MOD Single : A 4 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0039) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= 1.44 (180deg=0.406) USER MOD Single : A 9 SER OG : rot 168:sc= -1.21 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.18) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.2) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.253 USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 1.24 (180deg=-0.436) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0.613 (180deg=0.583) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.97 F(o=-4.4,f=-2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.3) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 1.87 (180deg=1.57) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 1.3 (180deg=0.879) USER MOD Single : A 40 MET CE :methyl 173:sc= -3.2! (180deg=-3.31!) USER MOD Single : A 41 THR OG1 : rot 64:sc= -2.22! USER MOD Single : A 42 THR OG1 : rot 16:sc= -1.69! USER MOD Single : A 43 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0.436 (180deg=0.34) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -148:sc= 0.502 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.16 F(o=-3.3!,f=-1.2) USER MOD Single : A 61 SER OG : rot 85:sc= -0.988! USER MOD Single : A 69 GLN : amide:sc= -5.27! C(o=-5.3!,f=-6.6!) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.00121 F(o=-2!,f=0.0012) USER MOD Single : A 75 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-8.1!) USER MOD Single : A 76 THR OG1 : rot -127:sc= -3.05! USER MOD Single : A 78 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.104) USER MOD Single : A 82 MET CE :methyl -127:sc= -4.48! (180deg=-10.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 722 THR OG1 : rot 180:sc= 0 USER MOD Single : B 723 SER OG : rot 180:sc= 0 USER MOD Single : B 726 THR OG1 : rot 180:sc= 0 USER MOD Single : B 727 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 728 CYS SG : rot 180:sc= 0.0402 USER MOD Single : B 737 SER OG : rot 180:sc= 0.0139 USER MOD Single : B 739 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.883 7.617 19.692 1.00 23.69 N ATOM 2 CA MET A 1 4.336 7.345 21.044 1.00 23.15 C ATOM 3 C MET A 1 2.967 7.993 21.209 1.00 22.30 C ATOM 4 O MET A 1 1.942 7.324 21.145 1.00 21.95 O ATOM 5 CB MET A 1 5.286 7.862 22.124 1.00 23.34 C ATOM 6 CG MET A 1 6.602 7.102 22.203 1.00 23.82 C ATOM 7 SD MET A 1 7.774 7.871 23.338 1.00 24.35 S ATOM 8 CE MET A 1 6.818 7.877 24.856 1.00 24.62 C ATOM 0 H1 MET A 1 5.107 6.717 19.221 1.00 23.69 H new ATOM 0 H2 MET A 1 4.178 8.136 19.130 1.00 23.69 H new ATOM 0 H3 MET A 1 5.748 8.189 19.776 1.00 23.69 H new ATOM 0 HA MET A 1 4.231 6.266 21.154 1.00 23.15 H new ATOM 0 HB2 MET A 1 5.496 8.915 21.935 1.00 23.34 H new ATOM 0 HB3 MET A 1 4.786 7.805 23.091 1.00 23.34 H new ATOM 0 HG2 MET A 1 6.408 6.078 22.524 1.00 23.82 H new ATOM 0 HG3 MET A 1 7.046 7.046 21.209 1.00 23.82 H new ATOM 0 HE1 MET A 1 7.479 8.069 25.701 1.00 24.62 H new ATOM 0 HE2 MET A 1 6.059 8.657 24.805 1.00 24.62 H new ATOM 0 HE3 MET A 1 6.335 6.909 24.986 1.00 24.62 H new ATOM 18 N SER A 2 2.963 9.307 21.366 1.00 22.07 N ATOM 19 CA SER A 2 1.736 10.045 21.629 1.00 21.38 C ATOM 20 C SER A 2 1.311 10.825 20.394 1.00 20.96 C ATOM 21 O SER A 2 0.248 11.446 20.366 1.00 20.50 O ATOM 22 CB SER A 2 1.926 10.974 22.826 1.00 21.51 C ATOM 23 OG SER A 2 2.225 10.225 23.994 1.00 22.01 O ATOM 0 H SER A 2 3.800 9.888 21.316 1.00 22.07 H new ATOM 0 HA SER A 2 0.943 9.337 21.870 1.00 21.38 H new ATOM 0 HB2 SER A 2 2.732 11.679 22.622 1.00 21.51 H new ATOM 0 HB3 SER A 2 1.022 11.561 22.985 1.00 21.51 H new ATOM 0 HG SER A 2 1.595 9.478 24.074 1.00 22.01 H new ATOM 29 N ASP A 3 2.145 10.757 19.363 1.00 21.23 N ATOM 30 CA ASP A 3 1.867 11.394 18.079 1.00 21.04 C ATOM 31 C ASP A 3 0.693 10.718 17.393 1.00 21.00 C ATOM 32 O ASP A 3 -0.056 11.346 16.646 1.00 20.71 O ATOM 33 CB ASP A 3 3.097 11.326 17.165 1.00 21.47 C ATOM 34 CG ASP A 3 4.000 10.142 17.471 1.00 21.77 C ATOM 35 OD1 ASP A 3 3.488 9.011 17.635 1.00 22.30 O ATOM 36 OD2 ASP A 3 5.230 10.345 17.571 1.00 21.57 O ATOM 0 H ASP A 3 3.034 10.258 19.393 1.00 21.23 H new ATOM 0 HA ASP A 3 1.620 12.438 18.269 1.00 21.04 H new ATOM 0 HB2 ASP A 3 2.769 11.267 16.127 1.00 21.47 H new ATOM 0 HB3 ASP A 3 3.669 12.248 17.266 1.00 21.47 H new ATOM 41 N GLN A 4 0.555 9.430 17.639 1.00 21.39 N ATOM 42 CA GLN A 4 -0.518 8.651 17.056 1.00 21.53 C ATOM 43 C GLN A 4 -1.698 8.548 18.020 1.00 21.32 C ATOM 44 O GLN A 4 -2.801 8.175 17.623 1.00 21.35 O ATOM 45 CB GLN A 4 0.010 7.269 16.680 1.00 22.34 C ATOM 46 CG GLN A 4 1.113 7.328 15.634 1.00 22.66 C ATOM 47 CD GLN A 4 2.118 6.207 15.791 1.00 23.24 C ATOM 48 OE1 GLN A 4 1.957 5.120 15.235 1.00 23.63 O ATOM 49 NE2 GLN A 4 3.175 6.478 16.538 1.00 23.40 N ATOM 0 H GLN A 4 1.179 8.897 18.245 1.00 21.39 H new ATOM 0 HA GLN A 4 -0.877 9.149 16.155 1.00 21.53 H new ATOM 0 HB2 GLN A 4 0.388 6.773 17.574 1.00 22.34 H new ATOM 0 HB3 GLN A 4 -0.812 6.661 16.302 1.00 22.34 H new ATOM 0 HG2 GLN A 4 0.670 7.278 14.639 1.00 22.66 H new ATOM 0 HG3 GLN A 4 1.627 8.286 15.706 1.00 22.66 H new ATOM 0 HE21 GLN A 4 3.266 7.393 16.980 1.00 23.40 H new ATOM 0 HE22 GLN A 4 3.899 5.772 16.673 1.00 23.40 H new ATOM 58 N GLU A 5 -1.463 8.900 19.281 1.00 21.21 N ATOM 59 CA GLU A 5 -2.525 8.920 20.281 1.00 21.16 C ATOM 60 C GLU A 5 -3.336 10.201 20.138 1.00 20.14 C ATOM 61 O GLU A 5 -4.550 10.163 19.928 1.00 20.05 O ATOM 62 CB GLU A 5 -1.941 8.813 21.694 1.00 21.82 C ATOM 63 CG GLU A 5 -1.104 7.564 21.911 1.00 22.75 C ATOM 64 CD GLU A 5 -0.620 7.425 23.338 1.00 23.18 C ATOM 65 OE1 GLU A 5 0.243 8.225 23.764 1.00 23.28 O ATOM 66 OE2 GLU A 5 -1.087 6.503 24.036 1.00 23.50 O ATOM 0 H GLU A 5 -0.546 9.175 19.634 1.00 21.21 H new ATOM 0 HA GLU A 5 -3.178 8.062 20.120 1.00 21.16 H new ATOM 0 HB2 GLU A 5 -1.327 9.691 21.892 1.00 21.82 H new ATOM 0 HB3 GLU A 5 -2.756 8.825 22.417 1.00 21.82 H new ATOM 0 HG2 GLU A 5 -1.693 6.686 21.644 1.00 22.75 H new ATOM 0 HG3 GLU A 5 -0.245 7.587 21.241 1.00 22.75 H new ATOM 73 N ALA A 6 -2.657 11.333 20.243 1.00 19.46 N ATOM 74 CA ALA A 6 -3.267 12.624 19.969 1.00 18.52 C ATOM 75 C ALA A 6 -2.578 13.251 18.769 1.00 17.92 C ATOM 76 O ALA A 6 -1.479 13.789 18.883 1.00 18.12 O ATOM 77 CB ALA A 6 -3.175 13.533 21.186 1.00 18.20 C ATOM 0 H ALA A 6 -1.676 11.383 20.518 1.00 19.46 H new ATOM 0 HA ALA A 6 -4.325 12.486 19.744 1.00 18.52 H new ATOM 0 HB1 ALA A 6 -3.638 14.493 20.959 1.00 18.20 H new ATOM 0 HB2 ALA A 6 -3.694 13.070 22.026 1.00 18.20 H new ATOM 0 HB3 ALA A 6 -2.128 13.687 21.447 1.00 18.20 H new ATOM 83 N LYS A 7 -3.215 13.162 17.614 1.00 17.33 N ATOM 84 CA LYS A 7 -2.582 13.543 16.369 1.00 16.82 C ATOM 85 C LYS A 7 -2.891 14.996 16.013 1.00 15.93 C ATOM 86 O LYS A 7 -4.024 15.455 16.148 1.00 15.33 O ATOM 87 CB LYS A 7 -3.046 12.604 15.254 1.00 16.60 C ATOM 88 CG LYS A 7 -4.560 12.524 15.133 1.00 16.97 C ATOM 89 CD LYS A 7 -5.102 11.150 15.484 1.00 17.70 C ATOM 90 CE LYS A 7 -4.901 10.806 16.944 1.00 18.30 C ATOM 91 NZ LYS A 7 -5.210 9.382 17.234 1.00 19.04 N ATOM 0 H LYS A 7 -4.174 12.828 17.515 1.00 17.33 H new ATOM 0 HA LYS A 7 -1.502 13.458 16.486 1.00 16.82 H new ATOM 0 HB2 LYS A 7 -2.629 12.942 14.305 1.00 16.60 H new ATOM 0 HB3 LYS A 7 -2.649 11.606 15.439 1.00 16.60 H new ATOM 0 HG2 LYS A 7 -5.013 13.268 15.789 1.00 16.97 H new ATOM 0 HG3 LYS A 7 -4.853 12.777 14.114 1.00 16.97 H new ATOM 0 HD2 LYS A 7 -6.165 11.111 15.247 1.00 17.70 H new ATOM 0 HD3 LYS A 7 -4.610 10.399 14.866 1.00 17.70 H new ATOM 0 HE2 LYS A 7 -3.869 11.017 17.226 1.00 18.30 H new ATOM 0 HE3 LYS A 7 -5.536 11.446 17.557 1.00 18.30 H new ATOM 0 HZ1 LYS A 7 -5.473 9.281 18.235 1.00 19.04 H new ATOM 0 HZ2 LYS A 7 -6.000 9.069 16.635 1.00 19.04 H new ATOM 0 HZ3 LYS A 7 -4.373 8.798 17.035 1.00 19.04 H new ATOM 105 N PRO A 8 -1.875 15.742 15.564 1.00 15.97 N ATOM 106 CA PRO A 8 -2.027 17.113 15.103 1.00 15.31 C ATOM 107 C PRO A 8 -2.389 17.151 13.623 1.00 14.44 C ATOM 108 O PRO A 8 -1.729 17.803 12.815 1.00 14.27 O ATOM 109 CB PRO A 8 -0.640 17.728 15.346 1.00 16.05 C ATOM 110 CG PRO A 8 0.263 16.596 15.753 1.00 16.96 C ATOM 111 CD PRO A 8 -0.480 15.320 15.470 1.00 16.80 C ATOM 0 HA PRO A 8 -2.825 17.649 15.617 1.00 15.31 H new ATOM 0 HB2 PRO A 8 -0.269 18.216 14.445 1.00 16.05 H new ATOM 0 HB3 PRO A 8 -0.684 18.489 16.125 1.00 16.05 H new ATOM 0 HG2 PRO A 8 1.199 16.629 15.195 1.00 16.96 H new ATOM 0 HG3 PRO A 8 0.519 16.667 16.810 1.00 16.96 H new ATOM 0 HD2 PRO A 8 -0.242 14.921 14.484 1.00 16.80 H new ATOM 0 HD3 PRO A 8 -0.241 14.542 16.195 1.00 16.80 H new ATOM 119 N SER A 9 -3.438 16.435 13.278 1.00 14.02 N ATOM 120 CA SER A 9 -3.822 16.265 11.888 1.00 13.33 C ATOM 121 C SER A 9 -5.013 17.148 11.522 1.00 12.66 C ATOM 122 O SER A 9 -5.570 17.024 10.432 1.00 12.16 O ATOM 123 CB SER A 9 -4.139 14.795 11.623 1.00 13.64 C ATOM 124 OG SER A 9 -5.093 14.301 12.552 1.00 13.73 O ATOM 0 H SER A 9 -4.045 15.957 13.944 1.00 14.02 H new ATOM 0 HA SER A 9 -2.987 16.574 11.260 1.00 13.33 H new ATOM 0 HB2 SER A 9 -4.521 14.680 10.609 1.00 13.64 H new ATOM 0 HB3 SER A 9 -3.225 14.205 11.688 1.00 13.64 H new ATOM 0 HG SER A 9 -5.422 13.429 12.250 1.00 13.73 H new ATOM 130 N THR A 10 -5.389 18.045 12.419 1.00 12.84 N ATOM 131 CA THR A 10 -6.544 18.892 12.182 1.00 12.49 C ATOM 132 C THR A 10 -6.184 20.066 11.274 1.00 11.94 C ATOM 133 O THR A 10 -6.500 20.067 10.086 1.00 11.47 O ATOM 134 CB THR A 10 -7.107 19.426 13.513 1.00 13.21 C ATOM 135 OG1 THR A 10 -7.200 18.355 14.459 1.00 13.91 O ATOM 136 CG2 THR A 10 -8.480 20.050 13.317 1.00 13.47 C ATOM 0 H THR A 10 -4.916 18.204 13.309 1.00 12.84 H new ATOM 0 HA THR A 10 -7.303 18.285 11.689 1.00 12.49 H new ATOM 0 HB THR A 10 -6.430 20.195 13.886 1.00 13.21 H new ATOM 0 HG1 THR A 10 -7.557 18.696 15.306 1.00 13.91 H new ATOM 0 HG21 THR A 10 -8.852 20.418 14.273 1.00 13.47 H new ATOM 0 HG22 THR A 10 -8.406 20.879 12.613 1.00 13.47 H new ATOM 0 HG23 THR A 10 -9.167 19.301 12.924 1.00 13.47 H new ATOM 144 N GLU A 11 -5.492 21.046 11.832 1.00 12.19 N ATOM 145 CA GLU A 11 -5.095 22.232 11.086 1.00 11.97 C ATOM 146 C GLU A 11 -3.631 22.527 11.352 1.00 11.14 C ATOM 147 O GLU A 11 -3.155 23.654 11.190 1.00 11.00 O ATOM 148 CB GLU A 11 -5.957 23.424 11.495 1.00 13.04 C ATOM 149 CG GLU A 11 -7.421 23.255 11.147 1.00 13.94 C ATOM 150 CD GLU A 11 -7.677 23.337 9.657 1.00 14.51 C ATOM 151 OE1 GLU A 11 -7.616 24.450 9.095 1.00 14.71 O ATOM 152 OE2 GLU A 11 -7.937 22.285 9.040 1.00 14.88 O ATOM 0 H GLU A 11 -5.191 21.044 12.807 1.00 12.19 H new ATOM 0 HA GLU A 11 -5.238 22.053 10.020 1.00 11.97 H new ATOM 0 HB2 GLU A 11 -5.862 23.580 12.570 1.00 13.04 H new ATOM 0 HB3 GLU A 11 -5.577 24.322 11.008 1.00 13.04 H new ATOM 0 HG2 GLU A 11 -7.771 22.292 11.520 1.00 13.94 H new ATOM 0 HG3 GLU A 11 -8.003 24.024 11.655 1.00 13.94 H new ATOM 159 N ASP A 12 -2.923 21.494 11.777 1.00 10.76 N ATOM 160 CA ASP A 12 -1.557 21.637 12.251 1.00 10.14 C ATOM 161 C ASP A 12 -0.562 21.158 11.202 1.00 9.01 C ATOM 162 O ASP A 12 0.525 21.728 11.055 1.00 8.48 O ATOM 163 CB ASP A 12 -1.376 20.836 13.542 1.00 10.63 C ATOM 164 CG ASP A 12 -2.528 21.026 14.516 1.00 11.09 C ATOM 165 OD1 ASP A 12 -3.529 20.278 14.415 1.00 11.37 O ATOM 166 OD2 ASP A 12 -2.447 21.926 15.379 1.00 11.38 O ATOM 0 H ASP A 12 -3.277 20.538 11.803 1.00 10.76 H new ATOM 0 HA ASP A 12 -1.367 22.693 12.444 1.00 10.14 H new ATOM 0 HB2 ASP A 12 -1.282 19.778 13.298 1.00 10.63 H new ATOM 0 HB3 ASP A 12 -0.445 21.136 14.023 1.00 10.63 H new ATOM 171 N LEU A 13 -0.932 20.108 10.472 1.00 8.84 N ATOM 172 CA LEU A 13 -0.049 19.541 9.462 1.00 7.95 C ATOM 173 C LEU A 13 0.150 20.512 8.300 1.00 7.12 C ATOM 174 O LEU A 13 -0.807 21.070 7.762 1.00 7.51 O ATOM 175 CB LEU A 13 -0.565 18.171 8.977 1.00 8.51 C ATOM 176 CG LEU A 13 -2.041 18.098 8.558 1.00 9.12 C ATOM 177 CD1 LEU A 13 -2.243 18.570 7.126 1.00 9.39 C ATOM 178 CD2 LEU A 13 -2.561 16.680 8.719 1.00 9.90 C ATOM 0 H LEU A 13 -1.832 19.637 10.562 1.00 8.84 H new ATOM 0 HA LEU A 13 0.926 19.377 9.921 1.00 7.95 H new ATOM 0 HB2 LEU A 13 0.045 17.858 8.129 1.00 8.51 H new ATOM 0 HB3 LEU A 13 -0.401 17.445 9.773 1.00 8.51 H new ATOM 0 HG LEU A 13 -2.604 18.766 9.210 1.00 9.12 H new ATOM 0 HD11 LEU A 13 -3.300 18.503 6.867 1.00 9.39 H new ATOM 0 HD12 LEU A 13 -1.911 19.604 7.033 1.00 9.39 H new ATOM 0 HD13 LEU A 13 -1.663 17.941 6.450 1.00 9.39 H new ATOM 0 HD21 LEU A 13 -3.608 16.640 8.419 1.00 9.90 H new ATOM 0 HD22 LEU A 13 -1.978 16.005 8.092 1.00 9.90 H new ATOM 0 HD23 LEU A 13 -2.470 16.375 9.762 1.00 9.90 H new ATOM 190 N GLY A 14 1.407 20.755 7.973 1.00 6.21 N ATOM 191 CA GLY A 14 1.736 21.622 6.866 1.00 5.51 C ATOM 192 C GLY A 14 2.413 22.884 7.342 1.00 4.93 C ATOM 193 O GLY A 14 3.047 23.594 6.564 1.00 4.74 O ATOM 0 H GLY A 14 2.213 20.363 8.460 1.00 6.21 H new ATOM 0 HA2 GLY A 14 2.390 21.096 6.171 1.00 5.51 H new ATOM 0 HA3 GLY A 14 0.829 21.877 6.319 1.00 5.51 H new ATOM 197 N ASP A 15 2.275 23.162 8.628 1.00 5.09 N ATOM 198 CA ASP A 15 2.844 24.374 9.205 1.00 5.13 C ATOM 199 C ASP A 15 3.743 24.074 10.404 1.00 4.49 C ATOM 200 O ASP A 15 4.887 24.522 10.454 1.00 4.69 O ATOM 201 CB ASP A 15 1.729 25.330 9.631 1.00 5.97 C ATOM 202 CG ASP A 15 2.258 26.680 10.072 1.00 6.53 C ATOM 203 OD1 ASP A 15 2.689 26.807 11.239 1.00 6.93 O ATOM 204 OD2 ASP A 15 2.242 27.621 9.253 1.00 6.83 O ATOM 0 H ASP A 15 1.777 22.569 9.292 1.00 5.09 H new ATOM 0 HA ASP A 15 3.458 24.839 8.434 1.00 5.13 H new ATOM 0 HB2 ASP A 15 1.037 25.468 8.801 1.00 5.97 H new ATOM 0 HB3 ASP A 15 1.162 24.881 10.447 1.00 5.97 H new ATOM 209 N LYS A 16 3.221 23.310 11.360 1.00 4.20 N ATOM 210 CA LYS A 16 3.907 23.108 12.638 1.00 4.16 C ATOM 211 C LYS A 16 5.135 22.209 12.508 1.00 3.46 C ATOM 212 O LYS A 16 6.100 22.363 13.255 1.00 3.74 O ATOM 213 CB LYS A 16 2.930 22.566 13.680 1.00 4.88 C ATOM 214 CG LYS A 16 1.823 23.557 14.010 1.00 5.72 C ATOM 215 CD LYS A 16 0.939 23.074 15.142 1.00 6.55 C ATOM 216 CE LYS A 16 -0.074 24.137 15.533 1.00 7.29 C ATOM 217 NZ LYS A 16 -0.907 23.703 16.680 1.00 7.77 N ATOM 0 H LYS A 16 2.329 22.822 11.277 1.00 4.20 H new ATOM 0 HA LYS A 16 4.274 24.079 12.970 1.00 4.16 H new ATOM 0 HB2 LYS A 16 2.487 21.641 13.312 1.00 4.88 H new ATOM 0 HB3 LYS A 16 3.475 22.318 14.591 1.00 4.88 H new ATOM 0 HG2 LYS A 16 2.265 24.516 14.281 1.00 5.72 H new ATOM 0 HG3 LYS A 16 1.213 23.726 13.122 1.00 5.72 H new ATOM 0 HD2 LYS A 16 0.419 22.165 14.840 1.00 6.55 H new ATOM 0 HD3 LYS A 16 1.554 22.818 16.005 1.00 6.55 H new ATOM 0 HE2 LYS A 16 0.447 25.060 15.790 1.00 7.29 H new ATOM 0 HE3 LYS A 16 -0.716 24.360 14.681 1.00 7.29 H new ATOM 0 HZ1 LYS A 16 -1.415 24.523 17.070 1.00 7.77 H new ATOM 0 HZ2 LYS A 16 -1.594 22.990 16.360 1.00 7.77 H new ATOM 0 HZ3 LYS A 16 -0.298 23.291 17.415 1.00 7.77 H new ATOM 231 N LYS A 17 5.098 21.266 11.582 1.00 2.93 N ATOM 232 CA LYS A 17 6.297 20.518 11.231 1.00 2.61 C ATOM 233 C LYS A 17 6.996 21.252 10.092 1.00 2.32 C ATOM 234 O LYS A 17 7.851 22.089 10.339 1.00 2.80 O ATOM 235 CB LYS A 17 5.950 19.062 10.861 1.00 2.77 C ATOM 236 CG LYS A 17 7.061 18.260 10.179 1.00 3.05 C ATOM 237 CD LYS A 17 8.215 17.887 11.105 1.00 3.51 C ATOM 238 CE LYS A 17 9.237 19.005 11.224 1.00 3.23 C ATOM 239 NZ LYS A 17 10.560 18.508 11.695 1.00 3.83 N ATOM 0 H LYS A 17 4.261 21.001 11.063 1.00 2.93 H new ATOM 0 HA LYS A 17 6.972 20.460 12.085 1.00 2.61 H new ATOM 0 HB2 LYS A 17 5.656 18.537 11.770 1.00 2.77 H new ATOM 0 HB3 LYS A 17 5.081 19.072 10.204 1.00 2.77 H new ATOM 0 HG2 LYS A 17 6.633 17.348 9.763 1.00 3.05 H new ATOM 0 HG3 LYS A 17 7.452 18.839 9.343 1.00 3.05 H new ATOM 0 HD2 LYS A 17 7.823 17.648 12.094 1.00 3.51 H new ATOM 0 HD3 LYS A 17 8.704 16.988 10.730 1.00 3.51 H new ATOM 0 HE2 LYS A 17 9.357 19.491 10.255 1.00 3.23 H new ATOM 0 HE3 LYS A 17 8.867 19.761 11.916 1.00 3.23 H new ATOM 0 HZ1 LYS A 17 11.221 19.306 11.778 1.00 3.83 H new ATOM 0 HZ2 LYS A 17 10.449 18.052 12.623 1.00 3.83 H new ATOM 0 HZ3 LYS A 17 10.934 17.818 11.013 1.00 3.83 H new ATOM 253 N GLU A 18 6.605 20.951 8.861 1.00 1.92 N ATOM 254 CA GLU A 18 7.066 21.677 7.685 1.00 1.92 C ATOM 255 C GLU A 18 6.004 21.639 6.602 1.00 1.51 C ATOM 256 O GLU A 18 4.980 20.979 6.764 1.00 1.60 O ATOM 257 CB GLU A 18 8.363 21.081 7.143 1.00 2.31 C ATOM 258 CG GLU A 18 9.564 21.402 7.998 1.00 2.92 C ATOM 259 CD GLU A 18 9.900 22.884 7.983 1.00 3.74 C ATOM 260 OE1 GLU A 18 10.076 23.444 6.881 1.00 4.37 O ATOM 261 OE2 GLU A 18 9.980 23.492 9.073 1.00 4.12 O ATOM 0 H GLU A 18 5.956 20.193 8.649 1.00 1.92 H new ATOM 0 HA GLU A 18 7.255 22.709 7.980 1.00 1.92 H new ATOM 0 HB2 GLU A 18 8.256 19.999 7.069 1.00 2.31 H new ATOM 0 HB3 GLU A 18 8.533 21.454 6.133 1.00 2.31 H new ATOM 0 HG2 GLU A 18 9.373 21.085 9.023 1.00 2.92 H new ATOM 0 HG3 GLU A 18 10.423 20.833 7.643 1.00 2.92 H new ATOM 268 N GLY A 19 6.251 22.354 5.518 1.00 1.76 N ATOM 269 CA GLY A 19 5.319 22.363 4.411 1.00 1.75 C ATOM 270 C GLY A 19 5.377 21.098 3.574 1.00 1.41 C ATOM 271 O GLY A 19 5.167 19.990 4.075 1.00 1.51 O ATOM 0 H GLY A 19 7.082 22.930 5.384 1.00 1.76 H new ATOM 0 HA2 GLY A 19 4.307 22.491 4.796 1.00 1.75 H new ATOM 0 HA3 GLY A 19 5.528 23.223 3.774 1.00 1.75 H new ATOM 275 N GLU A 20 5.671 21.267 2.298 1.00 1.32 N ATOM 276 CA GLU A 20 5.656 20.164 1.350 1.00 1.19 C ATOM 277 C GLU A 20 7.029 19.510 1.225 1.00 0.95 C ATOM 278 O GLU A 20 8.065 20.179 1.283 1.00 1.16 O ATOM 279 CB GLU A 20 5.179 20.670 -0.014 1.00 1.68 C ATOM 280 CG GLU A 20 5.960 21.875 -0.522 1.00 2.62 C ATOM 281 CD GLU A 20 5.385 22.454 -1.796 1.00 3.39 C ATOM 282 OE1 GLU A 20 4.472 23.300 -1.711 1.00 3.82 O ATOM 283 OE2 GLU A 20 5.838 22.059 -2.893 1.00 3.98 O ATOM 0 H GLU A 20 5.926 22.166 1.890 1.00 1.32 H new ATOM 0 HA GLU A 20 4.967 19.404 1.719 1.00 1.19 H new ATOM 0 HB2 GLU A 20 5.260 19.862 -0.741 1.00 1.68 H new ATOM 0 HB3 GLU A 20 4.123 20.933 0.054 1.00 1.68 H new ATOM 0 HG2 GLU A 20 5.971 22.646 0.249 1.00 2.62 H new ATOM 0 HG3 GLU A 20 6.996 21.583 -0.696 1.00 2.62 H new ATOM 290 N TYR A 21 7.026 18.190 1.086 1.00 0.69 N ATOM 291 CA TYR A 21 8.243 17.441 0.815 1.00 0.47 C ATOM 292 C TYR A 21 8.087 16.711 -0.502 1.00 0.30 C ATOM 293 O TYR A 21 7.002 16.684 -1.083 1.00 0.33 O ATOM 294 CB TYR A 21 8.534 16.402 1.905 1.00 0.51 C ATOM 295 CG TYR A 21 8.096 16.809 3.290 1.00 0.49 C ATOM 296 CD1 TYR A 21 6.814 16.550 3.747 1.00 1.13 C ATOM 297 CD2 TYR A 21 8.979 17.458 4.141 1.00 1.23 C ATOM 298 CE1 TYR A 21 6.423 16.926 5.017 1.00 1.36 C ATOM 299 CE2 TYR A 21 8.599 17.836 5.407 1.00 1.60 C ATOM 300 CZ TYR A 21 7.267 17.549 5.832 1.00 1.34 C ATOM 301 OH TYR A 21 6.942 17.938 7.112 1.00 1.85 O ATOM 0 H TYR A 21 6.187 17.614 1.157 1.00 0.69 H new ATOM 0 HA TYR A 21 9.069 18.151 0.785 1.00 0.47 H new ATOM 0 HB2 TYR A 21 8.038 15.468 1.641 1.00 0.51 H new ATOM 0 HB3 TYR A 21 9.605 16.201 1.921 1.00 0.51 H new ATOM 0 HD1 TYR A 21 6.110 16.047 3.101 1.00 1.13 H new ATOM 0 HD2 TYR A 21 9.983 17.670 3.803 1.00 1.23 H new ATOM 0 HE1 TYR A 21 5.419 16.711 5.352 1.00 1.36 H new ATOM 0 HE2 TYR A 21 9.292 18.339 6.065 1.00 1.60 H new ATOM 0 HH TYR A 21 6.274 17.323 7.481 1.00 1.85 H new ATOM 311 N ILE A 22 9.143 16.069 -0.938 1.00 0.23 N ATOM 312 CA ILE A 22 9.121 15.342 -2.187 1.00 0.18 C ATOM 313 C ILE A 22 9.589 13.910 -1.964 1.00 0.16 C ATOM 314 O ILE A 22 10.434 13.638 -1.113 1.00 0.19 O ATOM 315 CB ILE A 22 9.991 16.039 -3.253 1.00 0.21 C ATOM 316 CG1 ILE A 22 11.435 16.135 -2.785 1.00 0.29 C ATOM 317 CG2 ILE A 22 9.445 17.421 -3.583 1.00 0.26 C ATOM 318 CD1 ILE A 22 12.335 15.140 -3.468 1.00 0.40 C ATOM 0 H ILE A 22 10.035 16.034 -0.444 1.00 0.23 H new ATOM 0 HA ILE A 22 8.096 15.325 -2.556 1.00 0.18 H new ATOM 0 HB ILE A 22 9.960 15.436 -4.161 1.00 0.21 H new ATOM 0 HG12 ILE A 22 11.807 17.143 -2.971 1.00 0.29 H new ATOM 0 HG13 ILE A 22 11.475 15.975 -1.708 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.076 17.891 -4.337 1.00 0.26 H new ATOM 0 HG22 ILE A 22 8.429 17.329 -3.967 1.00 0.26 H new ATOM 0 HG23 ILE A 22 9.438 18.034 -2.682 1.00 0.26 H new ATOM 0 HD11 ILE A 22 13.353 15.254 -3.095 1.00 0.40 H new ATOM 0 HD12 ILE A 22 11.984 14.129 -3.260 1.00 0.40 H new ATOM 0 HD13 ILE A 22 12.321 15.315 -4.544 1.00 0.40 H new ATOM 330 N LYS A 23 9.010 13.004 -2.715 1.00 0.17 N ATOM 331 CA LYS A 23 9.231 11.585 -2.522 1.00 0.20 C ATOM 332 C LYS A 23 10.062 11.039 -3.660 1.00 0.18 C ATOM 333 O LYS A 23 9.884 11.439 -4.790 1.00 0.28 O ATOM 334 CB LYS A 23 7.891 10.858 -2.455 1.00 0.32 C ATOM 335 CG LYS A 23 8.012 9.355 -2.237 1.00 0.32 C ATOM 336 CD LYS A 23 7.233 8.578 -3.290 1.00 0.49 C ATOM 337 CE LYS A 23 5.758 8.955 -3.297 1.00 0.88 C ATOM 338 NZ LYS A 23 4.980 8.165 -4.286 1.00 1.17 N ATOM 0 H LYS A 23 8.371 13.227 -3.479 1.00 0.17 H new ATOM 0 HA LYS A 23 9.766 11.428 -1.585 1.00 0.20 H new ATOM 0 HB2 LYS A 23 7.297 11.285 -1.647 1.00 0.32 H new ATOM 0 HB3 LYS A 23 7.345 11.038 -3.381 1.00 0.32 H new ATOM 0 HG2 LYS A 23 9.062 9.064 -2.270 1.00 0.32 H new ATOM 0 HG3 LYS A 23 7.641 9.098 -1.245 1.00 0.32 H new ATOM 0 HD2 LYS A 23 7.662 8.770 -4.274 1.00 0.49 H new ATOM 0 HD3 LYS A 23 7.334 7.509 -3.101 1.00 0.49 H new ATOM 0 HE2 LYS A 23 5.341 8.800 -2.302 1.00 0.88 H new ATOM 0 HE3 LYS A 23 5.657 10.017 -3.523 1.00 0.88 H new ATOM 0 HZ1 LYS A 23 4.180 8.733 -4.632 1.00 1.17 H new ATOM 0 HZ2 LYS A 23 5.594 7.909 -5.086 1.00 1.17 H new ATOM 0 HZ3 LYS A 23 4.621 7.300 -3.834 1.00 1.17 H new ATOM 352 N LEU A 24 11.005 10.181 -3.378 1.00 0.18 N ATOM 353 CA LEU A 24 11.716 9.532 -4.455 1.00 0.17 C ATOM 354 C LEU A 24 11.405 8.046 -4.472 1.00 0.20 C ATOM 355 O LEU A 24 11.126 7.437 -3.439 1.00 0.29 O ATOM 356 CB LEU A 24 13.232 9.748 -4.393 1.00 0.20 C ATOM 357 CG LEU A 24 13.732 11.204 -4.399 1.00 0.21 C ATOM 358 CD1 LEU A 24 13.096 12.004 -5.529 1.00 0.19 C ATOM 359 CD2 LEU A 24 13.495 11.871 -3.052 1.00 0.24 C ATOM 0 H LEU A 24 11.297 9.917 -2.437 1.00 0.18 H new ATOM 0 HA LEU A 24 11.368 9.995 -5.378 1.00 0.17 H new ATOM 0 HB2 LEU A 24 13.606 9.265 -3.490 1.00 0.20 H new ATOM 0 HB3 LEU A 24 13.683 9.232 -5.241 1.00 0.20 H new ATOM 0 HG LEU A 24 14.807 11.183 -4.576 1.00 0.21 H new ATOM 0 HD11 LEU A 24 13.470 13.028 -5.505 1.00 0.19 H new ATOM 0 HD12 LEU A 24 13.349 11.547 -6.486 1.00 0.19 H new ATOM 0 HD13 LEU A 24 12.013 12.010 -5.405 1.00 0.19 H new ATOM 0 HD21 LEU A 24 13.858 12.898 -3.086 1.00 0.24 H new ATOM 0 HD22 LEU A 24 12.428 11.870 -2.828 1.00 0.24 H new ATOM 0 HD23 LEU A 24 14.029 11.323 -2.276 1.00 0.24 H new ATOM 371 N LYS A 25 11.423 7.497 -5.665 1.00 0.15 N ATOM 372 CA LYS A 25 11.227 6.085 -5.893 1.00 0.16 C ATOM 373 C LYS A 25 12.586 5.426 -6.056 1.00 0.12 C ATOM 374 O LYS A 25 13.229 5.586 -7.083 1.00 0.13 O ATOM 375 CB LYS A 25 10.391 5.906 -7.163 1.00 0.22 C ATOM 376 CG LYS A 25 10.428 4.508 -7.756 1.00 0.70 C ATOM 377 CD LYS A 25 9.492 3.550 -7.047 1.00 0.48 C ATOM 378 CE LYS A 25 9.379 2.254 -7.829 1.00 0.52 C ATOM 379 NZ LYS A 25 8.155 1.488 -7.491 1.00 1.11 N ATOM 0 H LYS A 25 11.577 8.031 -6.520 1.00 0.15 H new ATOM 0 HA LYS A 25 10.705 5.625 -5.054 1.00 0.16 H new ATOM 0 HB2 LYS A 25 9.356 6.164 -6.939 1.00 0.22 H new ATOM 0 HB3 LYS A 25 10.741 6.614 -7.914 1.00 0.22 H new ATOM 0 HG2 LYS A 25 10.160 4.558 -8.811 1.00 0.70 H new ATOM 0 HG3 LYS A 25 11.446 4.122 -7.703 1.00 0.70 H new ATOM 0 HD2 LYS A 25 9.861 3.346 -6.042 1.00 0.48 H new ATOM 0 HD3 LYS A 25 8.507 4.005 -6.939 1.00 0.48 H new ATOM 0 HE2 LYS A 25 9.381 2.477 -8.896 1.00 0.52 H new ATOM 0 HE3 LYS A 25 10.255 1.637 -7.631 1.00 0.52 H new ATOM 0 HZ1 LYS A 25 8.152 0.589 -8.014 1.00 1.11 H new ATOM 0 HZ2 LYS A 25 8.138 1.294 -6.469 1.00 1.11 H new ATOM 0 HZ3 LYS A 25 7.315 2.043 -7.752 1.00 1.11 H new ATOM 393 N VAL A 26 13.020 4.691 -5.051 1.00 0.13 N ATOM 394 CA VAL A 26 14.323 4.067 -5.124 1.00 0.13 C ATOM 395 C VAL A 26 14.196 2.640 -5.629 1.00 0.13 C ATOM 396 O VAL A 26 13.370 1.856 -5.151 1.00 0.16 O ATOM 397 CB VAL A 26 15.095 4.131 -3.780 1.00 0.18 C ATOM 398 CG1 VAL A 26 15.278 2.762 -3.152 1.00 0.42 C ATOM 399 CG2 VAL A 26 16.447 4.790 -3.988 1.00 0.36 C ATOM 0 H VAL A 26 12.501 4.514 -4.191 1.00 0.13 H new ATOM 0 HA VAL A 26 14.918 4.637 -5.838 1.00 0.13 H new ATOM 0 HB VAL A 26 14.495 4.726 -3.091 1.00 0.18 H new ATOM 0 HG11 VAL A 26 15.824 2.862 -2.214 1.00 0.42 H new ATOM 0 HG12 VAL A 26 14.302 2.317 -2.958 1.00 0.42 H new ATOM 0 HG13 VAL A 26 15.840 2.122 -3.832 1.00 0.42 H new ATOM 0 HG21 VAL A 26 16.982 4.831 -3.039 1.00 0.36 H new ATOM 0 HG22 VAL A 26 17.027 4.211 -4.707 1.00 0.36 H new ATOM 0 HG23 VAL A 26 16.304 5.802 -4.367 1.00 0.36 H new ATOM 409 N ILE A 27 14.971 2.348 -6.650 1.00 0.12 N ATOM 410 CA ILE A 27 15.019 1.026 -7.231 1.00 0.14 C ATOM 411 C ILE A 27 16.274 0.305 -6.772 1.00 0.16 C ATOM 412 O ILE A 27 17.383 0.744 -7.057 1.00 0.21 O ATOM 413 CB ILE A 27 15.034 1.085 -8.768 1.00 0.17 C ATOM 414 CG1 ILE A 27 14.026 2.113 -9.289 1.00 0.19 C ATOM 415 CG2 ILE A 27 14.733 -0.290 -9.330 1.00 0.21 C ATOM 416 CD1 ILE A 27 12.585 1.770 -8.981 1.00 0.23 C ATOM 0 H ILE A 27 15.587 3.024 -7.102 1.00 0.12 H new ATOM 0 HA ILE A 27 14.126 0.494 -6.903 1.00 0.14 H new ATOM 0 HB ILE A 27 16.025 1.398 -9.097 1.00 0.17 H new ATOM 0 HG12 ILE A 27 14.258 3.086 -8.856 1.00 0.19 H new ATOM 0 HG13 ILE A 27 14.144 2.208 -10.368 1.00 0.19 H new ATOM 0 HG21 ILE A 27 14.744 -0.248 -10.419 1.00 0.21 H new ATOM 0 HG22 ILE A 27 15.488 -0.997 -8.987 1.00 0.21 H new ATOM 0 HG23 ILE A 27 13.750 -0.615 -8.989 1.00 0.21 H new ATOM 0 HD11 ILE A 27 11.933 2.546 -9.382 1.00 0.23 H new ATOM 0 HD12 ILE A 27 12.333 0.812 -9.437 1.00 0.23 H new ATOM 0 HD13 ILE A 27 12.449 1.704 -7.901 1.00 0.23 H new ATOM 428 N GLY A 28 16.103 -0.798 -6.075 1.00 0.20 N ATOM 429 CA GLY A 28 17.243 -1.547 -5.606 1.00 0.24 C ATOM 430 C GLY A 28 17.679 -2.591 -6.607 1.00 0.26 C ATOM 431 O GLY A 28 16.912 -2.969 -7.495 1.00 0.27 O ATOM 0 H GLY A 28 15.196 -1.190 -5.824 1.00 0.20 H new ATOM 0 HA2 GLY A 28 18.070 -0.865 -5.409 1.00 0.24 H new ATOM 0 HA3 GLY A 28 16.996 -2.030 -4.661 1.00 0.24 H new ATOM 435 N GLN A 29 18.903 -3.075 -6.460 1.00 0.28 N ATOM 436 CA GLN A 29 19.441 -4.105 -7.346 1.00 0.33 C ATOM 437 C GLN A 29 18.839 -5.471 -7.030 1.00 0.43 C ATOM 438 O GLN A 29 19.198 -6.481 -7.632 1.00 0.56 O ATOM 439 CB GLN A 29 20.965 -4.147 -7.246 1.00 0.34 C ATOM 440 CG GLN A 29 21.648 -3.080 -8.083 1.00 0.40 C ATOM 441 CD GLN A 29 23.141 -3.011 -7.842 1.00 0.34 C ATOM 442 OE1 GLN A 29 23.566 -2.075 -7.000 1.00 0.63 O flip ATOM 443 NE2 GLN A 29 23.911 -3.756 -8.445 1.00 0.21 N flip ATOM 0 H GLN A 29 19.549 -2.771 -5.731 1.00 0.28 H new ATOM 0 HA GLN A 29 19.167 -3.851 -8.370 1.00 0.33 H new ATOM 0 HB2 GLN A 29 21.258 -4.025 -6.203 1.00 0.34 H new ATOM 0 HB3 GLN A 29 21.317 -5.129 -7.563 1.00 0.34 H new ATOM 0 HG2 GLN A 29 21.464 -3.280 -9.139 1.00 0.40 H new ATOM 0 HG3 GLN A 29 21.203 -2.110 -7.860 1.00 0.40 H new ATOM 0 HE21 GLN A 29 23.543 -4.462 -9.083 1.00 0.21 H new ATOM 0 HE22 GLN A 29 24.918 -3.668 -8.307 1.00 0.21 H new ATOM 452 N ASP A 30 17.915 -5.489 -6.083 1.00 0.46 N ATOM 453 CA ASP A 30 17.184 -6.702 -5.737 1.00 0.58 C ATOM 454 C ASP A 30 15.809 -6.664 -6.390 1.00 0.50 C ATOM 455 O ASP A 30 15.000 -7.576 -6.226 1.00 0.55 O ATOM 456 CB ASP A 30 17.033 -6.806 -4.216 1.00 0.75 C ATOM 457 CG ASP A 30 16.534 -8.163 -3.760 1.00 1.50 C ATOM 458 OD1 ASP A 30 17.345 -9.103 -3.667 1.00 1.88 O ATOM 459 OD2 ASP A 30 15.320 -8.297 -3.498 1.00 2.12 O ATOM 0 H ASP A 30 17.650 -4.671 -5.535 1.00 0.46 H new ATOM 0 HA ASP A 30 17.735 -7.571 -6.097 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.995 -6.603 -3.746 1.00 0.75 H new ATOM 0 HB3 ASP A 30 16.342 -6.037 -3.872 1.00 0.75 H new ATOM 464 N SER A 31 15.575 -5.589 -7.154 1.00 0.44 N ATOM 465 CA SER A 31 14.276 -5.287 -7.754 1.00 0.45 C ATOM 466 C SER A 31 13.301 -4.765 -6.700 1.00 0.45 C ATOM 467 O SER A 31 12.147 -4.458 -6.998 1.00 0.54 O ATOM 468 CB SER A 31 13.700 -6.504 -8.477 1.00 0.53 C ATOM 469 OG SER A 31 14.601 -6.972 -9.475 1.00 1.48 O ATOM 0 H SER A 31 16.293 -4.899 -7.373 1.00 0.44 H new ATOM 0 HA SER A 31 14.426 -4.504 -8.497 1.00 0.45 H new ATOM 0 HB2 SER A 31 13.501 -7.299 -7.758 1.00 0.53 H new ATOM 0 HB3 SER A 31 12.746 -6.243 -8.935 1.00 0.53 H new ATOM 0 HG SER A 31 14.214 -7.752 -9.925 1.00 1.48 H new ATOM 475 N SER A 32 13.783 -4.676 -5.467 1.00 0.47 N ATOM 476 CA SER A 32 13.040 -4.061 -4.382 1.00 0.51 C ATOM 477 C SER A 32 12.913 -2.560 -4.626 1.00 0.41 C ATOM 478 O SER A 32 13.814 -1.944 -5.193 1.00 0.50 O ATOM 479 CB SER A 32 13.755 -4.340 -3.059 1.00 0.65 C ATOM 480 OG SER A 32 15.150 -4.088 -3.174 1.00 1.32 O ATOM 0 H SER A 32 14.700 -5.029 -5.194 1.00 0.47 H new ATOM 0 HA SER A 32 12.036 -4.484 -4.335 1.00 0.51 H new ATOM 0 HB2 SER A 32 13.332 -3.714 -2.273 1.00 0.65 H new ATOM 0 HB3 SER A 32 13.592 -5.377 -2.764 1.00 0.65 H new ATOM 0 HG SER A 32 15.590 -4.286 -2.321 1.00 1.32 H new ATOM 486 N GLU A 33 11.800 -1.972 -4.219 1.00 0.29 N ATOM 487 CA GLU A 33 11.567 -0.557 -4.470 1.00 0.25 C ATOM 488 C GLU A 33 10.981 0.106 -3.231 1.00 0.20 C ATOM 489 O GLU A 33 10.022 -0.402 -2.648 1.00 0.28 O ATOM 490 CB GLU A 33 10.602 -0.358 -5.639 1.00 0.36 C ATOM 491 CG GLU A 33 10.581 -1.499 -6.646 1.00 0.66 C ATOM 492 CD GLU A 33 9.345 -1.472 -7.518 1.00 1.18 C ATOM 493 OE1 GLU A 33 9.341 -0.738 -8.524 1.00 1.62 O ATOM 494 OE2 GLU A 33 8.357 -2.161 -7.183 1.00 1.70 O ATOM 0 H GLU A 33 11.049 -2.446 -3.718 1.00 0.29 H new ATOM 0 HA GLU A 33 12.526 -0.102 -4.718 1.00 0.25 H new ATOM 0 HB2 GLU A 33 9.596 -0.222 -5.243 1.00 0.36 H new ATOM 0 HB3 GLU A 33 10.867 0.563 -6.159 1.00 0.36 H new ATOM 0 HG2 GLU A 33 11.469 -1.441 -7.276 1.00 0.66 H new ATOM 0 HG3 GLU A 33 10.628 -2.450 -6.115 1.00 0.66 H new ATOM 501 N ILE A 34 11.543 1.238 -2.840 1.00 0.18 N ATOM 502 CA ILE A 34 11.081 1.962 -1.665 1.00 0.18 C ATOM 503 C ILE A 34 10.989 3.452 -1.934 1.00 0.22 C ATOM 504 O ILE A 34 11.785 4.015 -2.684 1.00 0.29 O ATOM 505 CB ILE A 34 11.963 1.753 -0.415 1.00 0.29 C ATOM 506 CG1 ILE A 34 13.421 1.438 -0.767 1.00 0.73 C ATOM 507 CG2 ILE A 34 11.357 0.689 0.482 1.00 1.07 C ATOM 508 CD1 ILE A 34 13.688 -0.014 -1.084 1.00 0.26 C ATOM 0 H ILE A 34 12.326 1.679 -3.323 1.00 0.18 H new ATOM 0 HA ILE A 34 10.095 1.546 -1.457 1.00 0.18 H new ATOM 0 HB ILE A 34 11.986 2.695 0.133 1.00 0.29 H new ATOM 0 HG12 ILE A 34 13.714 2.044 -1.624 1.00 0.73 H new ATOM 0 HG13 ILE A 34 14.056 1.738 0.067 1.00 0.73 H new ATOM 0 HG21 ILE A 34 11.988 0.551 1.360 1.00 1.07 H new ATOM 0 HG22 ILE A 34 10.361 1.002 0.796 1.00 1.07 H new ATOM 0 HG23 ILE A 34 11.286 -0.251 -0.065 1.00 1.07 H new ATOM 0 HD11 ILE A 34 14.744 -0.146 -1.322 1.00 0.26 H new ATOM 0 HD12 ILE A 34 13.430 -0.628 -0.221 1.00 0.26 H new ATOM 0 HD13 ILE A 34 13.083 -0.317 -1.939 1.00 0.26 H new ATOM 520 N HIS A 35 9.984 4.067 -1.345 1.00 0.24 N ATOM 521 CA HIS A 35 9.783 5.501 -1.450 1.00 0.28 C ATOM 522 C HIS A 35 10.608 6.211 -0.387 1.00 0.26 C ATOM 523 O HIS A 35 10.947 5.612 0.634 1.00 0.42 O ATOM 524 CB HIS A 35 8.307 5.856 -1.250 1.00 0.38 C ATOM 525 CG HIS A 35 7.355 5.028 -2.060 1.00 0.51 C ATOM 526 ND1 HIS A 35 6.233 4.445 -1.519 1.00 0.76 N ATOM 527 CD2 HIS A 35 7.351 4.705 -3.373 1.00 0.62 C ATOM 528 CE1 HIS A 35 5.581 3.793 -2.462 1.00 0.90 C ATOM 529 NE2 HIS A 35 6.235 3.937 -3.599 1.00 0.79 N ATOM 0 H HIS A 35 9.283 3.589 -0.780 1.00 0.24 H new ATOM 0 HA HIS A 35 10.095 5.820 -2.444 1.00 0.28 H new ATOM 0 HB2 HIS A 35 8.059 5.744 -0.194 1.00 0.38 H new ATOM 0 HB3 HIS A 35 8.161 6.906 -1.502 1.00 0.38 H new ATOM 0 HD2 HIS A 35 8.088 4.996 -4.107 1.00 0.62 H new ATOM 0 HE1 HIS A 35 4.666 3.235 -2.326 1.00 0.90 H new ATOM 0 HE2 HIS A 35 5.957 3.543 -4.498 1.00 0.79 H new ATOM 538 N PHE A 36 10.912 7.485 -0.602 1.00 0.28 N ATOM 539 CA PHE A 36 11.632 8.286 0.375 1.00 0.23 C ATOM 540 C PHE A 36 11.050 9.693 0.383 1.00 0.21 C ATOM 541 O PHE A 36 10.953 10.317 -0.665 1.00 0.27 O ATOM 542 CB PHE A 36 13.117 8.366 0.022 1.00 0.34 C ATOM 543 CG PHE A 36 13.895 7.111 0.307 1.00 0.27 C ATOM 544 CD1 PHE A 36 13.996 6.105 -0.640 1.00 0.40 C ATOM 545 CD2 PHE A 36 14.529 6.945 1.525 1.00 0.42 C ATOM 546 CE1 PHE A 36 14.717 4.957 -0.374 1.00 0.46 C ATOM 547 CE2 PHE A 36 15.252 5.802 1.796 1.00 0.46 C ATOM 548 CZ PHE A 36 15.346 4.807 0.844 1.00 0.40 C ATOM 0 H PHE A 36 10.667 7.988 -1.455 1.00 0.28 H new ATOM 0 HA PHE A 36 11.529 7.821 1.356 1.00 0.23 H new ATOM 0 HB2 PHE A 36 13.213 8.605 -1.037 1.00 0.34 H new ATOM 0 HB3 PHE A 36 13.565 9.190 0.577 1.00 0.34 H new ATOM 0 HD1 PHE A 36 13.506 6.219 -1.596 1.00 0.40 H new ATOM 0 HD2 PHE A 36 14.457 7.720 2.273 1.00 0.42 H new ATOM 0 HE1 PHE A 36 14.788 4.178 -1.119 1.00 0.46 H new ATOM 0 HE2 PHE A 36 15.743 5.686 2.751 1.00 0.46 H new ATOM 0 HZ PHE A 36 15.912 3.911 1.053 1.00 0.40 H new ATOM 558 N LYS A 37 10.661 10.196 1.545 1.00 0.20 N ATOM 559 CA LYS A 37 10.098 11.541 1.627 1.00 0.21 C ATOM 560 C LYS A 37 11.105 12.518 2.215 1.00 0.21 C ATOM 561 O LYS A 37 11.309 12.580 3.426 1.00 0.26 O ATOM 562 CB LYS A 37 8.787 11.544 2.416 1.00 0.27 C ATOM 563 CG LYS A 37 7.556 11.623 1.523 1.00 0.32 C ATOM 564 CD LYS A 37 7.255 13.056 1.095 1.00 0.37 C ATOM 565 CE LYS A 37 6.369 13.101 -0.145 1.00 0.36 C ATOM 566 NZ LYS A 37 5.547 14.340 -0.219 1.00 0.96 N ATOM 0 H LYS A 37 10.722 9.703 2.436 1.00 0.20 H new ATOM 0 HA LYS A 37 9.870 11.872 0.614 1.00 0.21 H new ATOM 0 HB2 LYS A 37 8.732 10.640 3.022 1.00 0.27 H new ATOM 0 HB3 LYS A 37 8.785 12.390 3.104 1.00 0.27 H new ATOM 0 HG2 LYS A 37 7.709 11.004 0.639 1.00 0.32 H new ATOM 0 HG3 LYS A 37 6.696 11.214 2.053 1.00 0.32 H new ATOM 0 HD2 LYS A 37 6.764 13.584 1.912 1.00 0.37 H new ATOM 0 HD3 LYS A 37 8.190 13.579 0.893 1.00 0.37 H new ATOM 0 HE2 LYS A 37 6.994 13.031 -1.036 1.00 0.36 H new ATOM 0 HE3 LYS A 37 5.711 12.232 -0.148 1.00 0.36 H new ATOM 0 HZ1 LYS A 37 4.903 14.281 -1.034 1.00 0.96 H new ATOM 0 HZ2 LYS A 37 4.992 14.441 0.655 1.00 0.96 H new ATOM 0 HZ3 LYS A 37 6.171 15.165 -0.330 1.00 0.96 H new ATOM 580 N VAL A 38 11.727 13.273 1.329 1.00 0.19 N ATOM 581 CA VAL A 38 12.769 14.212 1.702 1.00 0.20 C ATOM 582 C VAL A 38 12.369 15.630 1.316 1.00 0.19 C ATOM 583 O VAL A 38 11.500 15.837 0.469 1.00 0.20 O ATOM 584 CB VAL A 38 14.119 13.877 1.027 1.00 0.22 C ATOM 585 CG1 VAL A 38 14.428 12.391 1.130 1.00 0.28 C ATOM 586 CG2 VAL A 38 14.137 14.344 -0.422 1.00 0.21 C ATOM 0 H VAL A 38 11.524 13.253 0.330 1.00 0.19 H new ATOM 0 HA VAL A 38 12.891 14.135 2.782 1.00 0.20 H new ATOM 0 HB VAL A 38 14.902 14.417 1.559 1.00 0.22 H new ATOM 0 HG11 VAL A 38 15.383 12.184 0.647 1.00 0.28 H new ATOM 0 HG12 VAL A 38 14.482 12.103 2.180 1.00 0.28 H new ATOM 0 HG13 VAL A 38 13.641 11.821 0.637 1.00 0.28 H new ATOM 0 HG21 VAL A 38 15.098 14.096 -0.872 1.00 0.21 H new ATOM 0 HG22 VAL A 38 13.339 13.848 -0.974 1.00 0.21 H new ATOM 0 HG23 VAL A 38 13.987 15.423 -0.458 1.00 0.21 H new ATOM 596 N LYS A 39 12.982 16.605 1.960 1.00 0.21 N ATOM 597 CA LYS A 39 12.763 18.000 1.619 1.00 0.20 C ATOM 598 C LYS A 39 13.532 18.352 0.354 1.00 0.18 C ATOM 599 O LYS A 39 14.528 17.703 0.044 1.00 0.18 O ATOM 600 CB LYS A 39 13.207 18.890 2.772 1.00 0.24 C ATOM 601 CG LYS A 39 12.107 19.731 3.385 1.00 0.86 C ATOM 602 CD LYS A 39 12.538 20.266 4.741 1.00 1.47 C ATOM 603 CE LYS A 39 11.624 21.366 5.239 1.00 1.82 C ATOM 604 NZ LYS A 39 11.745 22.601 4.426 1.00 2.43 N ATOM 0 H LYS A 39 13.639 16.457 2.726 1.00 0.21 H new ATOM 0 HA LYS A 39 11.700 18.162 1.439 1.00 0.20 H new ATOM 0 HB2 LYS A 39 13.642 18.263 3.550 1.00 0.24 H new ATOM 0 HB3 LYS A 39 13.997 19.552 2.418 1.00 0.24 H new ATOM 0 HG2 LYS A 39 11.863 20.560 2.721 1.00 0.86 H new ATOM 0 HG3 LYS A 39 11.202 19.133 3.494 1.00 0.86 H new ATOM 0 HD2 LYS A 39 12.550 19.451 5.464 1.00 1.47 H new ATOM 0 HD3 LYS A 39 13.557 20.646 4.672 1.00 1.47 H new ATOM 0 HE2 LYS A 39 10.592 21.017 5.217 1.00 1.82 H new ATOM 0 HE3 LYS A 39 11.862 21.592 6.279 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 11.450 23.421 4.994 1.00 2.43 H new ATOM 0 HZ2 LYS A 39 12.734 22.725 4.127 1.00 2.43 H new ATOM 0 HZ3 LYS A 39 11.137 22.525 3.586 1.00 2.43 H new ATOM 618 N MET A 40 13.057 19.348 -0.384 1.00 0.18 N ATOM 619 CA MET A 40 13.658 19.726 -1.665 1.00 0.18 C ATOM 620 C MET A 40 15.177 19.793 -1.603 1.00 0.17 C ATOM 621 O MET A 40 15.860 19.280 -2.485 1.00 0.20 O ATOM 622 CB MET A 40 13.105 21.070 -2.130 1.00 0.23 C ATOM 623 CG MET A 40 11.713 20.977 -2.716 1.00 0.30 C ATOM 624 SD MET A 40 11.728 20.805 -4.517 1.00 0.36 S ATOM 625 CE MET A 40 12.781 19.371 -4.732 1.00 0.33 C ATOM 0 H MET A 40 12.252 19.914 -0.118 1.00 0.18 H new ATOM 0 HA MET A 40 13.394 18.946 -2.379 1.00 0.18 H new ATOM 0 HB2 MET A 40 13.091 21.760 -1.286 1.00 0.23 H new ATOM 0 HB3 MET A 40 13.778 21.493 -2.876 1.00 0.23 H new ATOM 0 HG2 MET A 40 11.194 20.125 -2.277 1.00 0.30 H new ATOM 0 HG3 MET A 40 11.148 21.869 -2.444 1.00 0.30 H new ATOM 0 HE1 MET A 40 12.781 19.073 -5.781 1.00 0.33 H new ATOM 0 HE2 MET A 40 13.798 19.617 -4.425 1.00 0.33 H new ATOM 0 HE3 MET A 40 12.406 18.550 -4.121 1.00 0.33 H new ATOM 635 N THR A 41 15.699 20.376 -0.539 1.00 0.17 N ATOM 636 CA THR A 41 17.130 20.606 -0.424 1.00 0.17 C ATOM 637 C THR A 41 17.730 19.659 0.619 1.00 0.18 C ATOM 638 O THR A 41 18.643 20.007 1.374 1.00 0.20 O ATOM 639 CB THR A 41 17.452 22.087 -0.098 1.00 0.20 C ATOM 640 OG1 THR A 41 17.404 22.337 1.306 1.00 0.27 O ATOM 641 CG2 THR A 41 16.451 23.000 -0.765 1.00 0.25 C ATOM 0 H THR A 41 15.153 20.700 0.260 1.00 0.17 H new ATOM 0 HA THR A 41 17.588 20.393 -1.390 1.00 0.17 H new ATOM 0 HB THR A 41 18.459 22.282 -0.468 1.00 0.20 H new ATOM 0 HG1 THR A 41 18.099 21.813 1.756 1.00 0.27 H new ATOM 0 HG21 THR A 41 16.689 24.037 -0.527 1.00 0.25 H new ATOM 0 HG22 THR A 41 16.491 22.857 -1.845 1.00 0.25 H new ATOM 0 HG23 THR A 41 15.449 22.766 -0.405 1.00 0.25 H new ATOM 649 N THR A 42 17.228 18.433 0.626 1.00 0.17 N ATOM 650 CA THR A 42 17.657 17.427 1.583 1.00 0.19 C ATOM 651 C THR A 42 18.854 16.646 1.048 1.00 0.15 C ATOM 652 O THR A 42 18.841 16.208 -0.102 1.00 0.15 O ATOM 653 CB THR A 42 16.508 16.431 1.856 1.00 0.24 C ATOM 654 OG1 THR A 42 15.703 16.869 2.959 1.00 0.39 O ATOM 655 CG2 THR A 42 17.047 15.027 2.108 1.00 0.18 C ATOM 0 H THR A 42 16.516 18.110 -0.028 1.00 0.17 H new ATOM 0 HA THR A 42 17.938 17.940 2.503 1.00 0.19 H new ATOM 0 HB THR A 42 15.879 16.396 0.967 1.00 0.24 H new ATOM 0 HG1 THR A 42 15.885 17.814 3.142 1.00 0.39 H new ATOM 0 HG21 THR A 42 16.216 14.347 2.297 1.00 0.18 H new ATOM 0 HG22 THR A 42 17.602 14.688 1.233 1.00 0.18 H new ATOM 0 HG23 THR A 42 17.709 15.041 2.974 1.00 0.18 H new ATOM 663 N HIS A 43 19.884 16.472 1.891 1.00 0.15 N ATOM 664 CA HIS A 43 21.044 15.665 1.510 1.00 0.13 C ATOM 665 C HIS A 43 20.577 14.313 1.051 1.00 0.12 C ATOM 666 O HIS A 43 20.035 13.536 1.843 1.00 0.14 O ATOM 667 CB HIS A 43 22.014 15.456 2.674 1.00 0.16 C ATOM 668 CG HIS A 43 22.777 16.685 3.070 1.00 0.28 C ATOM 669 ND1 HIS A 43 24.107 16.657 3.413 1.00 1.06 N ATOM 670 CD2 HIS A 43 22.392 17.979 3.182 1.00 0.82 C ATOM 671 CE1 HIS A 43 24.511 17.874 3.715 1.00 0.93 C ATOM 672 NE2 HIS A 43 23.489 18.696 3.585 1.00 0.55 N ATOM 0 H HIS A 43 19.934 16.875 2.827 1.00 0.15 H new ATOM 0 HA HIS A 43 21.564 16.203 0.717 1.00 0.13 H new ATOM 0 HB2 HIS A 43 21.455 15.096 3.537 1.00 0.16 H new ATOM 0 HB3 HIS A 43 22.723 14.673 2.405 1.00 0.16 H new ATOM 0 HD2 HIS A 43 21.405 18.373 2.990 1.00 0.82 H new ATOM 0 HE1 HIS A 43 25.510 18.151 4.018 1.00 0.93 H new ATOM 0 HE2 HIS A 43 23.511 19.701 3.756 1.00 0.55 H new ATOM 681 N LEU A 44 20.791 14.022 -0.209 1.00 0.12 N ATOM 682 CA LEU A 44 20.351 12.769 -0.754 1.00 0.14 C ATOM 683 C LEU A 44 21.218 11.642 -0.245 1.00 0.16 C ATOM 684 O LEU A 44 20.902 10.479 -0.470 1.00 0.19 O ATOM 685 CB LEU A 44 20.366 12.802 -2.274 1.00 0.14 C ATOM 686 CG LEU A 44 19.034 12.506 -2.961 1.00 0.14 C ATOM 687 CD1 LEU A 44 17.876 13.047 -2.139 1.00 0.15 C ATOM 688 CD2 LEU A 44 19.015 13.103 -4.359 1.00 0.21 C ATOM 0 H LEU A 44 21.266 14.636 -0.871 1.00 0.12 H new ATOM 0 HA LEU A 44 19.325 12.598 -0.428 1.00 0.14 H new ATOM 0 HB2 LEU A 44 20.706 13.787 -2.593 1.00 0.14 H new ATOM 0 HB3 LEU A 44 21.103 12.080 -2.627 1.00 0.14 H new ATOM 0 HG LEU A 44 18.922 11.425 -3.042 1.00 0.14 H new ATOM 0 HD11 LEU A 44 16.936 12.826 -2.645 1.00 0.15 H new ATOM 0 HD12 LEU A 44 17.877 12.578 -1.155 1.00 0.15 H new ATOM 0 HD13 LEU A 44 17.983 14.126 -2.026 1.00 0.15 H new ATOM 0 HD21 LEU A 44 18.060 12.884 -4.835 1.00 0.21 H new ATOM 0 HD22 LEU A 44 19.149 14.183 -4.295 1.00 0.21 H new ATOM 0 HD23 LEU A 44 19.823 12.671 -4.950 1.00 0.21 H new ATOM 700 N LYS A 45 22.313 11.966 0.463 1.00 0.16 N ATOM 701 CA LYS A 45 23.105 10.963 1.122 1.00 0.17 C ATOM 702 C LYS A 45 22.261 10.191 2.103 1.00 0.16 C ATOM 703 O LYS A 45 22.332 8.971 2.178 1.00 0.16 O ATOM 704 CB LYS A 45 24.236 11.628 1.893 1.00 0.19 C ATOM 705 CG LYS A 45 25.158 10.629 2.544 1.00 0.28 C ATOM 706 CD LYS A 45 25.843 9.772 1.502 1.00 0.51 C ATOM 707 CE LYS A 45 26.315 8.474 2.104 1.00 0.43 C ATOM 708 NZ LYS A 45 26.999 8.689 3.408 1.00 1.13 N ATOM 0 H LYS A 45 22.654 12.920 0.582 1.00 0.16 H new ATOM 0 HA LYS A 45 23.504 10.289 0.364 1.00 0.17 H new ATOM 0 HB2 LYS A 45 24.811 12.260 1.216 1.00 0.19 H new ATOM 0 HB3 LYS A 45 23.815 12.281 2.658 1.00 0.19 H new ATOM 0 HG2 LYS A 45 25.906 11.152 3.140 1.00 0.28 H new ATOM 0 HG3 LYS A 45 24.592 9.996 3.227 1.00 0.28 H new ATOM 0 HD2 LYS A 45 25.154 9.569 0.682 1.00 0.51 H new ATOM 0 HD3 LYS A 45 26.691 10.312 1.080 1.00 0.51 H new ATOM 0 HE2 LYS A 45 25.464 7.807 2.245 1.00 0.43 H new ATOM 0 HE3 LYS A 45 26.997 7.979 1.413 1.00 0.43 H new ATOM 0 HZ1 LYS A 45 27.442 7.801 3.718 1.00 1.13 H new ATOM 0 HZ2 LYS A 45 27.730 9.421 3.300 1.00 1.13 H new ATOM 0 HZ3 LYS A 45 26.304 8.995 4.118 1.00 1.13 H new ATOM 722 N LYS A 46 21.468 10.933 2.855 1.00 0.17 N ATOM 723 CA LYS A 46 20.609 10.369 3.872 1.00 0.17 C ATOM 724 C LYS A 46 19.668 9.363 3.239 1.00 0.15 C ATOM 725 O LYS A 46 19.476 8.263 3.756 1.00 0.16 O ATOM 726 CB LYS A 46 19.833 11.491 4.551 1.00 0.21 C ATOM 727 CG LYS A 46 20.736 12.536 5.188 1.00 0.73 C ATOM 728 CD LYS A 46 19.942 13.606 5.915 1.00 1.32 C ATOM 729 CE LYS A 46 19.178 13.023 7.097 1.00 1.72 C ATOM 730 NZ LYS A 46 18.466 14.066 7.890 1.00 2.63 N ATOM 0 H LYS A 46 21.404 11.948 2.774 1.00 0.17 H new ATOM 0 HA LYS A 46 21.206 9.853 4.624 1.00 0.17 H new ATOM 0 HB2 LYS A 46 19.188 11.975 3.818 1.00 0.21 H new ATOM 0 HB3 LYS A 46 19.183 11.065 5.316 1.00 0.21 H new ATOM 0 HG2 LYS A 46 21.415 12.050 5.888 1.00 0.73 H new ATOM 0 HG3 LYS A 46 21.351 13.001 4.418 1.00 0.73 H new ATOM 0 HD2 LYS A 46 20.617 14.387 6.265 1.00 1.32 H new ATOM 0 HD3 LYS A 46 19.243 14.075 5.223 1.00 1.32 H new ATOM 0 HE2 LYS A 46 18.456 12.292 6.733 1.00 1.72 H new ATOM 0 HE3 LYS A 46 19.872 12.489 7.746 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 17.963 13.617 8.681 1.00 2.63 H new ATOM 0 HZ2 LYS A 46 19.155 14.750 8.262 1.00 2.63 H new ATOM 0 HZ3 LYS A 46 17.783 14.559 7.281 1.00 2.63 H new ATOM 744 N LEU A 47 19.107 9.750 2.101 1.00 0.15 N ATOM 745 CA LEU A 47 18.275 8.863 1.296 1.00 0.15 C ATOM 746 C LEU A 47 19.025 7.571 0.977 1.00 0.13 C ATOM 747 O LEU A 47 18.502 6.456 1.170 1.00 0.12 O ATOM 748 CB LEU A 47 17.871 9.599 0.004 1.00 0.17 C ATOM 749 CG LEU A 47 17.223 8.741 -1.087 1.00 0.19 C ATOM 750 CD1 LEU A 47 16.057 9.484 -1.716 1.00 0.57 C ATOM 751 CD2 LEU A 47 18.246 8.383 -2.157 1.00 0.56 C ATOM 0 H LEU A 47 19.215 10.686 1.710 1.00 0.15 H new ATOM 0 HA LEU A 47 17.377 8.593 1.852 1.00 0.15 H new ATOM 0 HB2 LEU A 47 17.179 10.399 0.267 1.00 0.17 H new ATOM 0 HB3 LEU A 47 18.760 10.071 -0.414 1.00 0.17 H new ATOM 0 HG LEU A 47 16.854 7.822 -0.631 1.00 0.19 H new ATOM 0 HD11 LEU A 47 15.605 8.863 -2.490 1.00 0.57 H new ATOM 0 HD12 LEU A 47 15.314 9.709 -0.951 1.00 0.57 H new ATOM 0 HD13 LEU A 47 16.414 10.414 -2.159 1.00 0.57 H new ATOM 0 HD21 LEU A 47 17.771 7.773 -2.925 1.00 0.56 H new ATOM 0 HD22 LEU A 47 18.636 9.296 -2.608 1.00 0.56 H new ATOM 0 HD23 LEU A 47 19.065 7.823 -1.705 1.00 0.56 H new ATOM 763 N LYS A 48 20.273 7.729 0.556 1.00 0.13 N ATOM 764 CA LYS A 48 21.109 6.598 0.204 1.00 0.13 C ATOM 765 C LYS A 48 21.322 5.722 1.424 1.00 0.12 C ATOM 766 O LYS A 48 21.189 4.499 1.365 1.00 0.13 O ATOM 767 CB LYS A 48 22.476 7.065 -0.308 1.00 0.15 C ATOM 768 CG LYS A 48 22.418 8.160 -1.356 1.00 0.18 C ATOM 769 CD LYS A 48 23.811 8.616 -1.767 1.00 0.31 C ATOM 770 CE LYS A 48 24.669 7.447 -2.232 1.00 0.40 C ATOM 771 NZ LYS A 48 26.074 7.853 -2.483 1.00 0.57 N ATOM 0 H LYS A 48 20.727 8.636 0.451 1.00 0.13 H new ATOM 0 HA LYS A 48 20.606 6.037 -0.584 1.00 0.13 H new ATOM 0 HB2 LYS A 48 23.064 7.421 0.538 1.00 0.15 H new ATOM 0 HB3 LYS A 48 23.005 6.208 -0.726 1.00 0.15 H new ATOM 0 HG2 LYS A 48 21.880 7.798 -2.232 1.00 0.18 H new ATOM 0 HG3 LYS A 48 21.857 9.009 -0.965 1.00 0.18 H new ATOM 0 HD2 LYS A 48 23.732 9.351 -2.568 1.00 0.31 H new ATOM 0 HD3 LYS A 48 24.295 9.112 -0.926 1.00 0.31 H new ATOM 0 HE2 LYS A 48 24.648 6.660 -1.478 1.00 0.40 H new ATOM 0 HE3 LYS A 48 24.245 7.026 -3.144 1.00 0.40 H new ATOM 0 HZ1 LYS A 48 26.623 7.028 -2.798 1.00 0.57 H new ATOM 0 HZ2 LYS A 48 26.097 8.586 -3.221 1.00 0.57 H new ATOM 0 HZ3 LYS A 48 26.488 8.231 -1.607 1.00 0.57 H new ATOM 785 N GLU A 49 21.650 6.367 2.529 1.00 0.12 N ATOM 786 CA GLU A 49 21.979 5.666 3.751 1.00 0.13 C ATOM 787 C GLU A 49 20.772 4.950 4.327 1.00 0.13 C ATOM 788 O GLU A 49 20.906 3.832 4.792 1.00 0.13 O ATOM 789 CB GLU A 49 22.575 6.605 4.790 1.00 0.15 C ATOM 790 CG GLU A 49 23.816 7.324 4.299 1.00 0.20 C ATOM 791 CD GLU A 49 24.691 7.833 5.423 1.00 0.36 C ATOM 792 OE1 GLU A 49 25.103 7.023 6.279 1.00 0.86 O ATOM 793 OE2 GLU A 49 25.011 9.038 5.426 1.00 0.82 O ATOM 0 H GLU A 49 21.695 7.383 2.602 1.00 0.12 H new ATOM 0 HA GLU A 49 22.729 4.918 3.493 1.00 0.13 H new ATOM 0 HB2 GLU A 49 21.825 7.342 5.078 1.00 0.15 H new ATOM 0 HB3 GLU A 49 22.823 6.036 5.686 1.00 0.15 H new ATOM 0 HG2 GLU A 49 24.397 6.647 3.673 1.00 0.20 H new ATOM 0 HG3 GLU A 49 23.518 8.163 3.670 1.00 0.20 H new ATOM 800 N SER A 50 19.597 5.568 4.302 1.00 0.14 N ATOM 801 CA SER A 50 18.412 4.907 4.830 1.00 0.15 C ATOM 802 C SER A 50 18.230 3.557 4.140 1.00 0.13 C ATOM 803 O SER A 50 18.167 2.513 4.810 1.00 0.13 O ATOM 804 CB SER A 50 17.159 5.775 4.657 1.00 0.19 C ATOM 805 OG SER A 50 16.045 5.192 5.311 1.00 1.08 O ATOM 0 H SER A 50 19.441 6.505 3.930 1.00 0.14 H new ATOM 0 HA SER A 50 18.553 4.750 5.899 1.00 0.15 H new ATOM 0 HB2 SER A 50 17.343 6.770 5.061 1.00 0.19 H new ATOM 0 HB3 SER A 50 16.940 5.897 3.596 1.00 0.19 H new ATOM 0 HG SER A 50 15.226 5.410 4.819 1.00 1.08 H new ATOM 811 N TYR A 51 18.230 3.570 2.798 1.00 0.13 N ATOM 812 CA TYR A 51 18.130 2.330 2.029 1.00 0.13 C ATOM 813 C TYR A 51 19.259 1.378 2.403 1.00 0.12 C ATOM 814 O TYR A 51 19.023 0.269 2.879 1.00 0.13 O ATOM 815 CB TYR A 51 18.196 2.620 0.522 1.00 0.18 C ATOM 816 CG TYR A 51 18.254 1.378 -0.357 1.00 0.19 C ATOM 817 CD1 TYR A 51 19.442 0.684 -0.529 1.00 0.20 C ATOM 818 CD2 TYR A 51 17.121 0.897 -1.013 1.00 0.41 C ATOM 819 CE1 TYR A 51 19.504 -0.447 -1.324 1.00 0.20 C ATOM 820 CE2 TYR A 51 17.175 -0.229 -1.810 1.00 0.45 C ATOM 821 CZ TYR A 51 18.355 -0.897 -1.968 1.00 0.29 C ATOM 822 OH TYR A 51 18.427 -2.019 -2.765 1.00 0.33 O ATOM 0 H TYR A 51 18.297 4.416 2.233 1.00 0.13 H new ATOM 0 HA TYR A 51 17.172 1.867 2.265 1.00 0.13 H new ATOM 0 HB2 TYR A 51 17.324 3.209 0.240 1.00 0.18 H new ATOM 0 HB3 TYR A 51 19.074 3.234 0.321 1.00 0.18 H new ATOM 0 HD1 TYR A 51 20.336 1.033 -0.033 1.00 0.20 H new ATOM 0 HD2 TYR A 51 16.181 1.416 -0.895 1.00 0.41 H new ATOM 0 HE1 TYR A 51 20.437 -0.977 -1.444 1.00 0.20 H new ATOM 0 HE2 TYR A 51 16.284 -0.581 -2.308 1.00 0.45 H new ATOM 0 HH TYR A 51 19.124 -2.618 -2.425 1.00 0.33 H new ATOM 832 N CYS A 52 20.483 1.845 2.203 1.00 0.12 N ATOM 833 CA CYS A 52 21.673 1.017 2.266 1.00 0.13 C ATOM 834 C CYS A 52 21.890 0.462 3.668 1.00 0.13 C ATOM 835 O CYS A 52 22.086 -0.737 3.855 1.00 0.17 O ATOM 836 CB CYS A 52 22.869 1.873 1.831 1.00 0.16 C ATOM 837 SG CYS A 52 24.435 0.996 1.676 1.00 0.46 S ATOM 0 H CYS A 52 20.677 2.823 1.990 1.00 0.12 H new ATOM 0 HA CYS A 52 21.559 0.161 1.601 1.00 0.13 H new ATOM 0 HB2 CYS A 52 22.634 2.334 0.871 1.00 0.16 H new ATOM 0 HB3 CYS A 52 22.995 2.682 2.550 1.00 0.16 H new ATOM 0 HG CYS A 52 24.735 0.439 2.812 1.00 0.46 H new ATOM 843 N GLN A 53 21.823 1.346 4.642 1.00 0.12 N ATOM 844 CA GLN A 53 22.089 1.003 6.029 1.00 0.14 C ATOM 845 C GLN A 53 21.123 -0.058 6.537 1.00 0.16 C ATOM 846 O GLN A 53 21.555 -1.108 7.015 1.00 0.19 O ATOM 847 CB GLN A 53 22.001 2.279 6.876 1.00 0.17 C ATOM 848 CG GLN A 53 22.061 2.065 8.387 1.00 0.22 C ATOM 849 CD GLN A 53 20.707 1.749 8.998 1.00 0.38 C ATOM 850 OE1 GLN A 53 19.651 2.291 8.408 1.00 0.68 O flip ATOM 851 NE2 GLN A 53 20.615 1.034 9.993 1.00 0.38 N flip ATOM 0 H GLN A 53 21.582 2.326 4.496 1.00 0.12 H new ATOM 0 HA GLN A 53 23.090 0.579 6.107 1.00 0.14 H new ATOM 0 HB2 GLN A 53 22.815 2.944 6.587 1.00 0.17 H new ATOM 0 HB3 GLN A 53 21.070 2.792 6.635 1.00 0.17 H new ATOM 0 HG2 GLN A 53 22.751 1.250 8.605 1.00 0.22 H new ATOM 0 HG3 GLN A 53 22.466 2.960 8.859 1.00 0.22 H new ATOM 0 HE21 GLN A 53 21.454 0.637 10.415 1.00 0.38 H new ATOM 0 HE22 GLN A 53 19.699 0.837 10.397 1.00 0.38 H new ATOM 860 N ARG A 54 19.821 0.183 6.401 1.00 0.17 N ATOM 861 CA ARG A 54 18.848 -0.722 7.000 1.00 0.21 C ATOM 862 C ARG A 54 18.820 -2.037 6.236 1.00 0.23 C ATOM 863 O ARG A 54 18.500 -3.089 6.786 1.00 0.30 O ATOM 864 CB ARG A 54 17.452 -0.080 7.054 1.00 0.22 C ATOM 865 CG ARG A 54 16.735 0.029 5.721 1.00 0.25 C ATOM 866 CD ARG A 54 15.778 -1.135 5.500 1.00 0.53 C ATOM 867 NE ARG A 54 15.676 -2.019 6.671 1.00 0.93 N ATOM 868 CZ ARG A 54 15.313 -3.303 6.625 1.00 1.03 C ATOM 869 NH1 ARG A 54 15.012 -3.879 5.468 1.00 1.20 N ATOM 870 NH2 ARG A 54 15.255 -4.009 7.741 1.00 1.49 N ATOM 0 H ARG A 54 19.425 0.975 5.895 1.00 0.17 H new ATOM 0 HA ARG A 54 19.151 -0.925 8.027 1.00 0.21 H new ATOM 0 HB2 ARG A 54 16.830 -0.660 7.736 1.00 0.22 H new ATOM 0 HB3 ARG A 54 17.546 0.919 7.480 1.00 0.22 H new ATOM 0 HG2 ARG A 54 16.182 0.968 5.681 1.00 0.25 H new ATOM 0 HG3 ARG A 54 17.468 0.056 4.915 1.00 0.25 H new ATOM 0 HD2 ARG A 54 14.789 -0.746 5.257 1.00 0.53 H new ATOM 0 HD3 ARG A 54 16.112 -1.716 4.640 1.00 0.53 H new ATOM 0 HE ARG A 54 15.899 -1.623 7.584 1.00 0.93 H new ATOM 0 HH11 ARG A 54 15.057 -3.340 4.603 1.00 1.20 H new ATOM 0 HH12 ARG A 54 14.736 -4.861 5.444 1.00 1.20 H new ATOM 0 HH21 ARG A 54 15.487 -3.573 8.633 1.00 1.49 H new ATOM 0 HH22 ARG A 54 14.978 -4.990 7.710 1.00 1.49 H new ATOM 884 N GLN A 55 19.177 -1.965 4.968 1.00 0.21 N ATOM 885 CA GLN A 55 19.127 -3.124 4.092 1.00 0.25 C ATOM 886 C GLN A 55 20.352 -4.027 4.266 1.00 0.24 C ATOM 887 O GLN A 55 20.405 -5.126 3.711 1.00 0.34 O ATOM 888 CB GLN A 55 18.993 -2.657 2.645 1.00 0.32 C ATOM 889 CG GLN A 55 18.481 -3.722 1.699 1.00 0.49 C ATOM 890 CD GLN A 55 17.569 -3.154 0.634 1.00 1.07 C ATOM 891 OE1 GLN A 55 16.823 -2.116 0.987 1.00 1.93 O flip ATOM 892 NE2 GLN A 55 17.519 -3.651 -0.489 1.00 1.10 N flip ATOM 0 H GLN A 55 19.507 -1.111 4.518 1.00 0.21 H new ATOM 0 HA GLN A 55 18.257 -3.723 4.362 1.00 0.25 H new ATOM 0 HB2 GLN A 55 18.319 -1.801 2.611 1.00 0.32 H new ATOM 0 HB3 GLN A 55 19.965 -2.311 2.294 1.00 0.32 H new ATOM 0 HG2 GLN A 55 19.326 -4.219 1.223 1.00 0.49 H new ATOM 0 HG3 GLN A 55 17.944 -4.481 2.267 1.00 0.49 H new ATOM 0 HE21 GLN A 55 18.110 -4.449 -0.720 1.00 1.10 H new ATOM 0 HE22 GLN A 55 16.886 -3.265 -1.190 1.00 1.10 H new ATOM 901 N GLY A 56 21.321 -3.575 5.053 1.00 0.21 N ATOM 902 CA GLY A 56 22.505 -4.383 5.303 1.00 0.23 C ATOM 903 C GLY A 56 23.548 -4.233 4.213 1.00 0.20 C ATOM 904 O GLY A 56 24.222 -5.198 3.841 1.00 0.24 O ATOM 0 H GLY A 56 21.311 -2.669 5.521 1.00 0.21 H new ATOM 0 HA2 GLY A 56 22.941 -4.098 6.261 1.00 0.23 H new ATOM 0 HA3 GLY A 56 22.216 -5.431 5.384 1.00 0.23 H new ATOM 908 N VAL A 57 23.671 -3.021 3.703 1.00 0.17 N ATOM 909 CA VAL A 57 24.626 -2.713 2.648 1.00 0.16 C ATOM 910 C VAL A 57 25.604 -1.653 3.158 1.00 0.14 C ATOM 911 O VAL A 57 25.212 -0.777 3.930 1.00 0.14 O ATOM 912 CB VAL A 57 23.902 -2.156 1.393 1.00 0.16 C ATOM 913 CG1 VAL A 57 24.689 -2.436 0.123 1.00 0.18 C ATOM 914 CG2 VAL A 57 22.483 -2.694 1.280 1.00 0.16 C ATOM 0 H VAL A 57 23.114 -2.222 4.006 1.00 0.17 H new ATOM 0 HA VAL A 57 25.152 -3.628 2.376 1.00 0.16 H new ATOM 0 HB VAL A 57 23.840 -1.075 1.515 1.00 0.16 H new ATOM 0 HG11 VAL A 57 24.151 -2.032 -0.735 1.00 0.18 H new ATOM 0 HG12 VAL A 57 25.670 -1.965 0.191 1.00 0.18 H new ATOM 0 HG13 VAL A 57 24.811 -3.512 0.000 1.00 0.18 H new ATOM 0 HG21 VAL A 57 22.008 -2.282 0.390 1.00 0.16 H new ATOM 0 HG22 VAL A 57 22.511 -3.781 1.207 1.00 0.16 H new ATOM 0 HG23 VAL A 57 21.913 -2.404 2.163 1.00 0.16 H new ATOM 924 N PRO A 58 26.889 -1.715 2.770 1.00 0.15 N ATOM 925 CA PRO A 58 27.839 -0.645 3.070 1.00 0.15 C ATOM 926 C PRO A 58 27.721 0.489 2.055 1.00 0.15 C ATOM 927 O PRO A 58 27.607 0.250 0.852 1.00 0.15 O ATOM 928 CB PRO A 58 29.186 -1.344 2.942 1.00 0.18 C ATOM 929 CG PRO A 58 28.964 -2.359 1.882 1.00 0.19 C ATOM 930 CD PRO A 58 27.531 -2.821 2.032 1.00 0.17 C ATOM 0 HA PRO A 58 27.678 -0.187 4.046 1.00 0.15 H new ATOM 0 HB2 PRO A 58 29.974 -0.644 2.666 1.00 0.18 H new ATOM 0 HB3 PRO A 58 29.486 -1.807 3.882 1.00 0.18 H new ATOM 0 HG2 PRO A 58 29.134 -1.933 0.893 1.00 0.19 H new ATOM 0 HG3 PRO A 58 29.656 -3.194 1.992 1.00 0.19 H new ATOM 0 HD2 PRO A 58 27.059 -2.985 1.064 1.00 0.17 H new ATOM 0 HD3 PRO A 58 27.467 -3.760 2.581 1.00 0.17 H new ATOM 938 N MET A 59 27.758 1.721 2.552 1.00 0.16 N ATOM 939 CA MET A 59 27.515 2.901 1.727 1.00 0.18 C ATOM 940 C MET A 59 28.525 3.018 0.582 1.00 0.20 C ATOM 941 O MET A 59 28.268 3.678 -0.424 1.00 0.25 O ATOM 942 CB MET A 59 27.556 4.170 2.588 1.00 0.19 C ATOM 943 CG MET A 59 26.358 5.082 2.374 1.00 0.19 C ATOM 944 SD MET A 59 26.088 5.459 0.642 1.00 0.22 S ATOM 945 CE MET A 59 24.473 4.748 0.461 1.00 0.16 C ATOM 0 H MET A 59 27.956 1.930 3.531 1.00 0.16 H new ATOM 0 HA MET A 59 26.524 2.790 1.287 1.00 0.18 H new ATOM 0 HB2 MET A 59 27.604 3.886 3.639 1.00 0.19 H new ATOM 0 HB3 MET A 59 28.469 4.723 2.365 1.00 0.19 H new ATOM 0 HG2 MET A 59 25.466 4.608 2.783 1.00 0.19 H new ATOM 0 HG3 MET A 59 26.508 6.010 2.926 1.00 0.19 H new ATOM 0 HE1 MET A 59 24.106 4.930 -0.549 1.00 0.16 H new ATOM 0 HE2 MET A 59 24.526 3.674 0.639 1.00 0.16 H new ATOM 0 HE3 MET A 59 23.793 5.202 1.181 1.00 0.16 H new ATOM 955 N ASN A 60 29.676 2.385 0.743 1.00 0.22 N ATOM 956 CA ASN A 60 30.725 2.432 -0.275 1.00 0.27 C ATOM 957 C ASN A 60 30.503 1.402 -1.375 1.00 0.23 C ATOM 958 O ASN A 60 31.248 1.362 -2.350 1.00 0.27 O ATOM 959 CB ASN A 60 32.103 2.218 0.360 1.00 0.35 C ATOM 960 CG ASN A 60 32.180 0.950 1.174 1.00 0.61 C ATOM 961 OD1 ASN A 60 32.677 -0.113 0.581 1.00 1.10 O flip ATOM 962 ND2 ASN A 60 31.809 0.933 2.349 1.00 0.71 N flip ATOM 0 H ASN A 60 29.912 1.832 1.567 1.00 0.22 H new ATOM 0 HA ASN A 60 30.683 3.422 -0.728 1.00 0.27 H new ATOM 0 HB2 ASN A 60 32.859 2.187 -0.425 1.00 0.35 H new ATOM 0 HB3 ASN A 60 32.340 3.069 0.998 1.00 0.35 H new ATOM 0 HD21 ASN A 60 31.428 1.778 2.776 1.00 0.71 H new ATOM 0 HD22 ASN A 60 31.883 0.074 2.895 1.00 0.71 H new ATOM 969 N SER A 61 29.499 0.558 -1.210 1.00 0.19 N ATOM 970 CA SER A 61 29.236 -0.489 -2.180 1.00 0.19 C ATOM 971 C SER A 61 28.049 -0.142 -3.076 1.00 0.15 C ATOM 972 O SER A 61 27.829 -0.789 -4.101 1.00 0.16 O ATOM 973 CB SER A 61 28.987 -1.812 -1.453 1.00 0.23 C ATOM 974 OG SER A 61 28.939 -2.901 -2.354 1.00 0.57 O ATOM 0 H SER A 61 28.856 0.577 -0.418 1.00 0.19 H new ATOM 0 HA SER A 61 30.111 -0.586 -2.822 1.00 0.19 H new ATOM 0 HB2 SER A 61 29.777 -1.980 -0.721 1.00 0.23 H new ATOM 0 HB3 SER A 61 28.049 -1.754 -0.902 1.00 0.23 H new ATOM 0 HG SER A 61 29.848 -3.225 -2.525 1.00 0.57 H new ATOM 980 N LEU A 62 27.299 0.897 -2.727 1.00 0.15 N ATOM 981 CA LEU A 62 26.090 1.212 -3.475 1.00 0.15 C ATOM 982 C LEU A 62 26.014 2.680 -3.863 1.00 0.17 C ATOM 983 O LEU A 62 26.361 3.567 -3.087 1.00 0.23 O ATOM 984 CB LEU A 62 24.851 0.827 -2.673 1.00 0.17 C ATOM 985 CG LEU A 62 23.842 -0.034 -3.428 1.00 0.16 C ATOM 986 CD1 LEU A 62 24.539 -1.171 -4.155 1.00 0.18 C ATOM 987 CD2 LEU A 62 22.796 -0.578 -2.468 1.00 0.20 C ATOM 0 H LEU A 62 27.501 1.523 -1.948 1.00 0.15 H new ATOM 0 HA LEU A 62 26.128 0.629 -4.395 1.00 0.15 H new ATOM 0 HB2 LEU A 62 25.167 0.291 -1.778 1.00 0.17 H new ATOM 0 HB3 LEU A 62 24.353 1.738 -2.340 1.00 0.17 H new ATOM 0 HG LEU A 62 23.346 0.589 -4.172 1.00 0.16 H new ATOM 0 HD11 LEU A 62 23.800 -1.771 -4.686 1.00 0.18 H new ATOM 0 HD12 LEU A 62 25.255 -0.762 -4.868 1.00 0.18 H new ATOM 0 HD13 LEU A 62 25.064 -1.797 -3.433 1.00 0.18 H new ATOM 0 HD21 LEU A 62 22.081 -1.191 -3.018 1.00 0.20 H new ATOM 0 HD22 LEU A 62 23.283 -1.185 -1.705 1.00 0.20 H new ATOM 0 HD23 LEU A 62 22.272 0.251 -1.992 1.00 0.20 H new ATOM 999 N ARG A 63 25.552 2.911 -5.079 1.00 0.14 N ATOM 1000 CA ARG A 63 25.373 4.254 -5.606 1.00 0.15 C ATOM 1001 C ARG A 63 23.915 4.482 -5.981 1.00 0.14 C ATOM 1002 O ARG A 63 23.276 3.614 -6.572 1.00 0.16 O ATOM 1003 CB ARG A 63 26.287 4.487 -6.820 1.00 0.19 C ATOM 1004 CG ARG A 63 26.155 3.437 -7.911 1.00 0.25 C ATOM 1005 CD ARG A 63 27.425 3.303 -8.741 1.00 0.28 C ATOM 1006 NE ARG A 63 27.579 4.354 -9.748 1.00 0.89 N ATOM 1007 CZ ARG A 63 28.764 4.772 -10.204 1.00 1.03 C ATOM 1008 NH1 ARG A 63 29.885 4.374 -9.619 1.00 1.24 N ATOM 1009 NH2 ARG A 63 28.825 5.607 -11.230 1.00 1.70 N ATOM 0 H ARG A 63 25.290 2.172 -5.731 1.00 0.14 H new ATOM 0 HA ARG A 63 25.649 4.970 -4.832 1.00 0.15 H new ATOM 0 HB2 ARG A 63 26.065 5.466 -7.245 1.00 0.19 H new ATOM 0 HB3 ARG A 63 27.323 4.514 -6.481 1.00 0.19 H new ATOM 0 HG2 ARG A 63 25.916 2.474 -7.459 1.00 0.25 H new ATOM 0 HG3 ARG A 63 25.322 3.698 -8.564 1.00 0.25 H new ATOM 0 HD2 ARG A 63 28.288 3.320 -8.075 1.00 0.28 H new ATOM 0 HD3 ARG A 63 27.424 2.333 -9.237 1.00 0.28 H new ATOM 0 HE ARG A 63 26.737 4.791 -10.122 1.00 0.89 H new ATOM 0 HH11 ARG A 63 29.846 3.746 -8.817 1.00 1.24 H new ATOM 0 HH12 ARG A 63 30.786 4.696 -9.971 1.00 1.24 H new ATOM 0 HH21 ARG A 63 27.967 5.933 -11.674 1.00 1.70 H new ATOM 0 HH22 ARG A 63 29.730 5.924 -11.576 1.00 1.70 H new ATOM 1023 N PHE A 64 23.392 5.639 -5.607 1.00 0.12 N ATOM 1024 CA PHE A 64 22.018 6.004 -5.919 1.00 0.11 C ATOM 1025 C PHE A 64 22.019 7.053 -7.008 1.00 0.11 C ATOM 1026 O PHE A 64 22.790 8.011 -6.945 1.00 0.11 O ATOM 1027 CB PHE A 64 21.303 6.536 -4.673 1.00 0.11 C ATOM 1028 CG PHE A 64 21.105 5.511 -3.589 1.00 0.11 C ATOM 1029 CD1 PHE A 64 22.187 4.818 -3.077 1.00 0.14 C ATOM 1030 CD2 PHE A 64 19.843 5.241 -3.082 1.00 0.10 C ATOM 1031 CE1 PHE A 64 22.017 3.879 -2.082 1.00 0.15 C ATOM 1032 CE2 PHE A 64 19.664 4.301 -2.087 1.00 0.11 C ATOM 1033 CZ PHE A 64 20.726 3.617 -1.594 1.00 0.12 C ATOM 0 H PHE A 64 23.904 6.348 -5.082 1.00 0.12 H new ATOM 0 HA PHE A 64 21.483 5.119 -6.263 1.00 0.11 H new ATOM 0 HB2 PHE A 64 21.876 7.370 -4.268 1.00 0.11 H new ATOM 0 HB3 PHE A 64 20.330 6.930 -4.967 1.00 0.11 H new ATOM 0 HD1 PHE A 64 23.177 5.015 -3.461 1.00 0.14 H new ATOM 0 HD2 PHE A 64 18.988 5.774 -3.471 1.00 0.10 H new ATOM 0 HE1 PHE A 64 22.869 3.350 -1.681 1.00 0.15 H new ATOM 0 HE2 PHE A 64 18.674 4.110 -1.700 1.00 0.11 H new ATOM 0 HZ PHE A 64 20.579 2.871 -0.827 1.00 0.12 H new ATOM 1043 N LEU A 65 21.209 6.850 -8.032 1.00 0.11 N ATOM 1044 CA LEU A 65 21.235 7.741 -9.175 1.00 0.12 C ATOM 1045 C LEU A 65 19.850 8.172 -9.610 1.00 0.14 C ATOM 1046 O LEU A 65 18.876 7.456 -9.447 1.00 0.15 O ATOM 1047 CB LEU A 65 21.958 7.092 -10.355 1.00 0.13 C ATOM 1048 CG LEU A 65 23.382 6.613 -10.058 1.00 0.14 C ATOM 1049 CD1 LEU A 65 23.363 5.271 -9.374 1.00 0.12 C ATOM 1050 CD2 LEU A 65 24.206 6.560 -11.327 1.00 0.21 C ATOM 0 H LEU A 65 20.535 6.087 -8.095 1.00 0.11 H new ATOM 0 HA LEU A 65 21.777 8.631 -8.856 1.00 0.12 H new ATOM 0 HB2 LEU A 65 21.369 6.242 -10.699 1.00 0.13 H new ATOM 0 HB3 LEU A 65 21.995 7.807 -11.177 1.00 0.13 H new ATOM 0 HG LEU A 65 23.848 7.330 -9.382 1.00 0.14 H new ATOM 0 HD11 LEU A 65 24.385 4.951 -9.173 1.00 0.12 H new ATOM 0 HD12 LEU A 65 22.816 5.349 -8.435 1.00 0.12 H new ATOM 0 HD13 LEU A 65 22.874 4.541 -10.019 1.00 0.12 H new ATOM 0 HD21 LEU A 65 25.214 6.217 -11.092 1.00 0.21 H new ATOM 0 HD22 LEU A 65 23.743 5.870 -12.033 1.00 0.21 H new ATOM 0 HD23 LEU A 65 24.255 7.554 -11.771 1.00 0.21 H new ATOM 1062 N PHE A 66 19.801 9.325 -10.230 1.00 0.16 N ATOM 1063 CA PHE A 66 18.586 9.862 -10.794 1.00 0.23 C ATOM 1064 C PHE A 66 18.528 9.495 -12.272 1.00 0.28 C ATOM 1065 O PHE A 66 18.993 10.234 -13.138 1.00 0.31 O ATOM 1066 CB PHE A 66 18.583 11.382 -10.586 1.00 0.28 C ATOM 1067 CG PHE A 66 17.522 12.143 -11.343 1.00 0.80 C ATOM 1068 CD1 PHE A 66 16.257 11.614 -11.547 1.00 0.91 C ATOM 1069 CD2 PHE A 66 17.809 13.398 -11.858 1.00 1.33 C ATOM 1070 CE1 PHE A 66 15.303 12.325 -12.249 1.00 1.52 C ATOM 1071 CE2 PHE A 66 16.857 14.111 -12.557 1.00 1.95 C ATOM 1072 CZ PHE A 66 15.602 13.573 -12.753 1.00 2.03 C ATOM 0 H PHE A 66 20.615 9.926 -10.359 1.00 0.16 H new ATOM 0 HA PHE A 66 17.704 9.446 -10.306 1.00 0.23 H new ATOM 0 HB2 PHE A 66 18.460 11.585 -9.522 1.00 0.28 H new ATOM 0 HB3 PHE A 66 19.559 11.772 -10.874 1.00 0.28 H new ATOM 0 HD1 PHE A 66 16.015 10.638 -11.154 1.00 0.91 H new ATOM 0 HD2 PHE A 66 18.791 13.823 -11.710 1.00 1.33 H new ATOM 0 HE1 PHE A 66 14.321 11.902 -12.403 1.00 1.52 H new ATOM 0 HE2 PHE A 66 17.094 15.089 -12.950 1.00 1.95 H new ATOM 0 HZ PHE A 66 14.855 14.128 -13.300 1.00 2.03 H new ATOM 1082 N GLU A 67 17.999 8.296 -12.512 1.00 0.37 N ATOM 1083 CA GLU A 67 17.928 7.696 -13.841 1.00 0.46 C ATOM 1084 C GLU A 67 19.291 7.702 -14.520 1.00 0.40 C ATOM 1085 O GLU A 67 19.399 7.855 -15.739 1.00 0.46 O ATOM 1086 CB GLU A 67 16.897 8.408 -14.709 1.00 0.57 C ATOM 1087 CG GLU A 67 15.469 8.223 -14.226 1.00 1.22 C ATOM 1088 CD GLU A 67 14.522 7.889 -15.356 1.00 1.29 C ATOM 1089 OE1 GLU A 67 14.374 6.690 -15.679 1.00 1.83 O ATOM 1090 OE2 GLU A 67 13.914 8.823 -15.921 1.00 1.63 O ATOM 0 H GLU A 67 17.603 7.708 -11.779 1.00 0.37 H new ATOM 0 HA GLU A 67 17.614 6.660 -13.718 1.00 0.46 H new ATOM 0 HB2 GLU A 67 17.129 9.473 -14.735 1.00 0.57 H new ATOM 0 HB3 GLU A 67 16.977 8.039 -15.732 1.00 0.57 H new ATOM 0 HG2 GLU A 67 15.439 7.427 -13.482 1.00 1.22 H new ATOM 0 HG3 GLU A 67 15.134 9.134 -13.731 1.00 1.22 H new ATOM 1097 N GLY A 68 20.334 7.536 -13.720 1.00 0.36 N ATOM 1098 CA GLY A 68 21.679 7.502 -14.254 1.00 0.36 C ATOM 1099 C GLY A 68 22.501 8.682 -13.794 1.00 0.30 C ATOM 1100 O GLY A 68 23.676 8.808 -14.147 1.00 0.35 O ATOM 0 H GLY A 68 20.272 7.424 -12.708 1.00 0.36 H new ATOM 0 HA2 GLY A 68 22.168 6.578 -13.946 1.00 0.36 H new ATOM 0 HA3 GLY A 68 21.636 7.493 -15.343 1.00 0.36 H new ATOM 1104 N GLN A 69 21.892 9.548 -12.996 1.00 0.24 N ATOM 1105 CA GLN A 69 22.598 10.696 -12.457 1.00 0.23 C ATOM 1106 C GLN A 69 23.123 10.359 -11.082 1.00 0.19 C ATOM 1107 O GLN A 69 22.346 10.224 -10.140 1.00 0.18 O ATOM 1108 CB GLN A 69 21.694 11.928 -12.374 1.00 0.25 C ATOM 1109 CG GLN A 69 22.474 13.222 -12.188 1.00 0.26 C ATOM 1110 CD GLN A 69 22.424 13.776 -10.772 1.00 0.35 C ATOM 1111 OE1 GLN A 69 22.492 14.986 -10.576 1.00 0.83 O ATOM 1112 NE2 GLN A 69 22.312 12.911 -9.776 1.00 0.31 N ATOM 0 H GLN A 69 20.916 9.476 -12.710 1.00 0.24 H new ATOM 0 HA GLN A 69 23.423 10.933 -13.129 1.00 0.23 H new ATOM 0 HB2 GLN A 69 21.097 11.997 -13.283 1.00 0.25 H new ATOM 0 HB3 GLN A 69 20.998 11.807 -11.544 1.00 0.25 H new ATOM 0 HG2 GLN A 69 23.515 13.050 -12.463 1.00 0.26 H new ATOM 0 HG3 GLN A 69 22.082 13.972 -12.875 1.00 0.26 H new ATOM 0 HE21 GLN A 69 22.258 11.912 -9.972 1.00 0.31 H new ATOM 0 HE22 GLN A 69 22.280 13.244 -8.812 1.00 0.31 H new ATOM 1121 N ARG A 70 24.422 10.232 -10.964 1.00 0.21 N ATOM 1122 CA ARG A 70 25.036 9.874 -9.702 1.00 0.20 C ATOM 1123 C ARG A 70 24.721 10.902 -8.624 1.00 0.18 C ATOM 1124 O ARG A 70 25.100 12.069 -8.721 1.00 0.21 O ATOM 1125 CB ARG A 70 26.547 9.731 -9.876 1.00 0.26 C ATOM 1126 CG ARG A 70 27.312 9.576 -8.571 1.00 0.83 C ATOM 1127 CD ARG A 70 26.947 8.299 -7.829 1.00 0.50 C ATOM 1128 NE ARG A 70 27.664 8.196 -6.563 1.00 0.89 N ATOM 1129 CZ ARG A 70 28.710 7.399 -6.371 1.00 1.15 C ATOM 1130 NH1 ARG A 70 29.222 6.722 -7.390 1.00 1.52 N ATOM 1131 NH2 ARG A 70 29.269 7.313 -5.172 1.00 1.64 N ATOM 0 H ARG A 70 25.081 10.372 -11.730 1.00 0.21 H new ATOM 0 HA ARG A 70 24.623 8.918 -9.382 1.00 0.20 H new ATOM 0 HB2 ARG A 70 26.749 8.866 -10.507 1.00 0.26 H new ATOM 0 HB3 ARG A 70 26.925 10.606 -10.404 1.00 0.26 H new ATOM 0 HG2 ARG A 70 28.382 9.578 -8.779 1.00 0.83 H new ATOM 0 HG3 ARG A 70 27.110 10.435 -7.931 1.00 0.83 H new ATOM 0 HD2 ARG A 70 25.873 8.278 -7.643 1.00 0.50 H new ATOM 0 HD3 ARG A 70 27.179 7.435 -8.452 1.00 0.50 H new ATOM 0 HE ARG A 70 27.345 8.768 -5.781 1.00 0.89 H new ATOM 0 HH11 ARG A 70 28.813 6.813 -8.320 1.00 1.52 H new ATOM 0 HH12 ARG A 70 30.025 6.110 -7.244 1.00 1.52 H new ATOM 0 HH21 ARG A 70 28.896 7.859 -4.395 1.00 1.64 H new ATOM 0 HH22 ARG A 70 30.072 6.701 -5.026 1.00 1.64 H new ATOM 1145 N ILE A 71 24.014 10.456 -7.600 1.00 0.16 N ATOM 1146 CA ILE A 71 23.698 11.302 -6.465 1.00 0.14 C ATOM 1147 C ILE A 71 24.921 11.469 -5.574 1.00 0.16 C ATOM 1148 O ILE A 71 25.554 10.486 -5.188 1.00 0.17 O ATOM 1149 CB ILE A 71 22.544 10.712 -5.633 1.00 0.12 C ATOM 1150 CG1 ILE A 71 21.226 10.794 -6.400 1.00 0.13 C ATOM 1151 CG2 ILE A 71 22.424 11.432 -4.305 1.00 0.11 C ATOM 1152 CD1 ILE A 71 20.136 9.931 -5.806 1.00 0.15 C ATOM 0 H ILE A 71 23.647 9.507 -7.533 1.00 0.16 H new ATOM 0 HA ILE A 71 23.390 12.273 -6.854 1.00 0.14 H new ATOM 0 HB ILE A 71 22.766 9.662 -5.442 1.00 0.12 H new ATOM 0 HG12 ILE A 71 20.889 11.830 -6.421 1.00 0.13 H new ATOM 0 HG13 ILE A 71 21.396 10.493 -7.434 1.00 0.13 H new ATOM 0 HG21 ILE A 71 21.604 11.002 -3.731 1.00 0.11 H new ATOM 0 HG22 ILE A 71 23.354 11.323 -3.747 1.00 0.11 H new ATOM 0 HG23 ILE A 71 22.228 12.490 -4.481 1.00 0.11 H new ATOM 0 HD11 ILE A 71 19.227 10.035 -6.398 1.00 0.15 H new ATOM 0 HD12 ILE A 71 20.454 8.889 -5.810 1.00 0.15 H new ATOM 0 HD13 ILE A 71 19.940 10.246 -4.781 1.00 0.15 H new ATOM 1164 N ALA A 72 25.252 12.712 -5.255 1.00 0.19 N ATOM 1165 CA ALA A 72 26.351 12.994 -4.347 1.00 0.21 C ATOM 1166 C ALA A 72 25.821 13.186 -2.935 1.00 0.21 C ATOM 1167 O ALA A 72 24.631 13.452 -2.759 1.00 0.23 O ATOM 1168 CB ALA A 72 27.124 14.220 -4.799 1.00 0.23 C ATOM 0 H ALA A 72 24.775 13.540 -5.612 1.00 0.19 H new ATOM 0 HA ALA A 72 27.035 12.145 -4.354 1.00 0.21 H new ATOM 0 HB1 ALA A 72 27.942 14.411 -4.104 1.00 0.23 H new ATOM 0 HB2 ALA A 72 27.528 14.048 -5.796 1.00 0.23 H new ATOM 0 HB3 ALA A 72 26.458 15.082 -4.822 1.00 0.23 H new ATOM 1174 N ASP A 73 26.681 13.070 -1.942 1.00 0.28 N ATOM 1175 CA ASP A 73 26.247 13.123 -0.550 1.00 0.32 C ATOM 1176 C ASP A 73 25.586 14.451 -0.199 1.00 0.27 C ATOM 1177 O ASP A 73 24.547 14.480 0.468 1.00 0.32 O ATOM 1178 CB ASP A 73 27.444 12.847 0.366 1.00 0.46 C ATOM 1179 CG ASP A 73 27.442 13.642 1.664 1.00 1.53 C ATOM 1180 OD1 ASP A 73 27.841 14.825 1.648 1.00 2.13 O ATOM 1181 OD2 ASP A 73 27.078 13.075 2.713 1.00 2.03 O ATOM 0 H ASP A 73 27.685 12.938 -2.068 1.00 0.28 H new ATOM 0 HA ASP A 73 25.489 12.354 -0.402 1.00 0.32 H new ATOM 0 HB2 ASP A 73 27.464 11.784 0.606 1.00 0.46 H new ATOM 0 HB3 ASP A 73 28.361 13.068 -0.179 1.00 0.46 H new ATOM 1186 N ASN A 74 26.136 15.543 -0.699 1.00 0.27 N ATOM 1187 CA ASN A 74 25.596 16.853 -0.368 1.00 0.28 C ATOM 1188 C ASN A 74 24.650 17.347 -1.450 1.00 0.21 C ATOM 1189 O ASN A 74 24.306 18.528 -1.497 1.00 0.24 O ATOM 1190 CB ASN A 74 26.709 17.887 -0.131 1.00 0.37 C ATOM 1191 CG ASN A 74 27.343 18.433 -1.410 1.00 0.55 C ATOM 1192 OD1 ASN A 74 27.589 17.578 -2.395 1.00 0.90 O flip ATOM 1193 ND2 ASN A 74 27.644 19.621 -1.494 1.00 0.44 N flip ATOM 0 H ASN A 74 26.942 15.553 -1.325 1.00 0.27 H new ATOM 0 HA ASN A 74 25.037 16.738 0.561 1.00 0.28 H new ATOM 0 HB2 ASN A 74 26.300 18.719 0.442 1.00 0.37 H new ATOM 0 HB3 ASN A 74 27.488 17.432 0.481 1.00 0.37 H new ATOM 0 HD21 ASN A 74 27.442 20.254 -0.720 1.00 0.44 H new ATOM 0 HD22 ASN A 74 28.096 19.974 -2.338 1.00 0.44 H new ATOM 1200 N HIS A 75 24.220 16.440 -2.312 1.00 0.15 N ATOM 1201 CA HIS A 75 23.327 16.802 -3.401 1.00 0.12 C ATOM 1202 C HIS A 75 21.896 16.472 -3.038 1.00 0.12 C ATOM 1203 O HIS A 75 21.646 15.505 -2.328 1.00 0.15 O ATOM 1204 CB HIS A 75 23.732 16.126 -4.707 1.00 0.12 C ATOM 1205 CG HIS A 75 24.625 16.982 -5.557 1.00 0.18 C ATOM 1206 ND1 HIS A 75 24.642 18.357 -5.476 1.00 1.12 N ATOM 1207 CD2 HIS A 75 25.536 16.657 -6.505 1.00 1.02 C ATOM 1208 CE1 HIS A 75 25.519 18.841 -6.335 1.00 0.85 C ATOM 1209 NE2 HIS A 75 26.074 17.829 -6.970 1.00 0.58 N ATOM 0 H HIS A 75 24.473 15.452 -2.280 1.00 0.15 H new ATOM 0 HA HIS A 75 23.405 17.878 -3.558 1.00 0.12 H new ATOM 0 HB2 HIS A 75 24.242 15.189 -4.482 1.00 0.12 H new ATOM 0 HB3 HIS A 75 22.835 15.873 -5.272 1.00 0.12 H new ATOM 0 HD1 HIS A 75 24.065 18.916 -4.848 1.00 1.12 H new ATOM 0 HD2 HIS A 75 25.791 15.660 -6.833 1.00 1.02 H new ATOM 0 HE1 HIS A 75 25.743 19.886 -6.491 1.00 0.85 H new ATOM 1218 N THR A 76 20.966 17.289 -3.501 1.00 0.12 N ATOM 1219 CA THR A 76 19.561 17.117 -3.168 1.00 0.12 C ATOM 1220 C THR A 76 18.732 17.080 -4.445 1.00 0.12 C ATOM 1221 O THR A 76 19.222 17.493 -5.498 1.00 0.14 O ATOM 1222 CB THR A 76 19.079 18.273 -2.270 1.00 0.14 C ATOM 1223 OG1 THR A 76 18.800 19.443 -3.055 1.00 0.16 O ATOM 1224 CG2 THR A 76 20.142 18.614 -1.241 1.00 0.14 C ATOM 0 H THR A 76 21.159 18.083 -4.112 1.00 0.12 H new ATOM 0 HA THR A 76 19.440 16.178 -2.628 1.00 0.12 H new ATOM 0 HB THR A 76 18.167 17.951 -1.767 1.00 0.14 H new ATOM 0 HG1 THR A 76 19.288 20.209 -2.686 1.00 0.16 H new ATOM 0 HG21 THR A 76 19.791 19.432 -0.612 1.00 0.14 H new ATOM 0 HG22 THR A 76 20.342 17.740 -0.621 1.00 0.14 H new ATOM 0 HG23 THR A 76 21.058 18.915 -1.750 1.00 0.14 H new ATOM 1232 N PRO A 77 17.478 16.600 -4.397 1.00 0.13 N ATOM 1233 CA PRO A 77 16.604 16.564 -5.573 1.00 0.16 C ATOM 1234 C PRO A 77 16.480 17.932 -6.239 1.00 0.16 C ATOM 1235 O PRO A 77 16.449 18.037 -7.467 1.00 0.18 O ATOM 1236 CB PRO A 77 15.248 16.124 -5.008 1.00 0.18 C ATOM 1237 CG PRO A 77 15.364 16.306 -3.533 1.00 0.26 C ATOM 1238 CD PRO A 77 16.802 16.056 -3.212 1.00 0.14 C ATOM 0 HA PRO A 77 16.992 15.898 -6.344 1.00 0.16 H new ATOM 0 HB2 PRO A 77 14.437 16.726 -5.417 1.00 0.18 H new ATOM 0 HB3 PRO A 77 15.034 15.086 -5.261 1.00 0.18 H new ATOM 0 HG2 PRO A 77 15.065 17.311 -3.237 1.00 0.26 H new ATOM 0 HG3 PRO A 77 14.716 15.610 -3.000 1.00 0.26 H new ATOM 0 HD2 PRO A 77 17.110 16.563 -2.298 1.00 0.14 H new ATOM 0 HD3 PRO A 77 17.011 14.995 -3.074 1.00 0.14 H new ATOM 1246 N LYS A 78 16.441 18.974 -5.410 1.00 0.17 N ATOM 1247 CA LYS A 78 16.326 20.349 -5.879 1.00 0.19 C ATOM 1248 C LYS A 78 17.470 20.670 -6.832 1.00 0.19 C ATOM 1249 O LYS A 78 17.267 21.223 -7.913 1.00 0.22 O ATOM 1250 CB LYS A 78 16.354 21.294 -4.663 1.00 0.22 C ATOM 1251 CG LYS A 78 15.980 22.741 -4.952 1.00 0.59 C ATOM 1252 CD LYS A 78 17.118 23.524 -5.590 1.00 0.48 C ATOM 1253 CE LYS A 78 18.219 23.845 -4.590 1.00 0.51 C ATOM 1254 NZ LYS A 78 17.794 24.879 -3.610 1.00 1.24 N ATOM 0 H LYS A 78 16.488 18.886 -4.395 1.00 0.17 H new ATOM 0 HA LYS A 78 15.387 20.481 -6.417 1.00 0.19 H new ATOM 0 HB2 LYS A 78 15.673 20.905 -3.906 1.00 0.22 H new ATOM 0 HB3 LYS A 78 17.355 21.274 -4.232 1.00 0.22 H new ATOM 0 HG2 LYS A 78 15.114 22.763 -5.613 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.685 23.228 -4.023 1.00 0.59 H new ATOM 0 HD2 LYS A 78 17.535 22.949 -6.417 1.00 0.48 H new ATOM 0 HD3 LYS A 78 16.729 24.451 -6.011 1.00 0.48 H new ATOM 0 HE2 LYS A 78 18.503 22.937 -4.059 1.00 0.51 H new ATOM 0 HE3 LYS A 78 19.104 24.192 -5.123 1.00 0.51 H new ATOM 0 HZ1 LYS A 78 18.500 25.643 -3.583 1.00 1.24 H new ATOM 0 HZ2 LYS A 78 16.873 25.269 -3.894 1.00 1.24 H new ATOM 0 HZ3 LYS A 78 17.712 24.450 -2.666 1.00 1.24 H new ATOM 1268 N GLU A 79 18.667 20.292 -6.420 1.00 0.16 N ATOM 1269 CA GLU A 79 19.878 20.572 -7.181 1.00 0.17 C ATOM 1270 C GLU A 79 19.954 19.726 -8.444 1.00 0.18 C ATOM 1271 O GLU A 79 20.359 20.200 -9.503 1.00 0.24 O ATOM 1272 CB GLU A 79 21.109 20.291 -6.325 1.00 0.18 C ATOM 1273 CG GLU A 79 20.878 20.531 -4.853 1.00 0.19 C ATOM 1274 CD GLU A 79 22.163 20.644 -4.076 1.00 0.46 C ATOM 1275 OE1 GLU A 79 22.934 19.667 -4.059 1.00 0.65 O ATOM 1276 OE2 GLU A 79 22.403 21.707 -3.471 1.00 0.71 O ATOM 0 H GLU A 79 18.830 19.783 -5.551 1.00 0.16 H new ATOM 0 HA GLU A 79 19.849 21.623 -7.467 1.00 0.17 H new ATOM 0 HB2 GLU A 79 21.418 19.256 -6.474 1.00 0.18 H new ATOM 0 HB3 GLU A 79 21.931 20.921 -6.665 1.00 0.18 H new ATOM 0 HG2 GLU A 79 20.298 21.445 -4.724 1.00 0.19 H new ATOM 0 HG3 GLU A 79 20.281 19.715 -4.445 1.00 0.19 H new ATOM 1283 N LEU A 80 19.567 18.463 -8.318 1.00 0.15 N ATOM 1284 CA LEU A 80 19.726 17.502 -9.403 1.00 0.17 C ATOM 1285 C LEU A 80 18.634 17.677 -10.453 1.00 0.20 C ATOM 1286 O LEU A 80 18.774 17.238 -11.595 1.00 0.28 O ATOM 1287 CB LEU A 80 19.709 16.081 -8.838 1.00 0.16 C ATOM 1288 CG LEU A 80 20.544 15.893 -7.566 1.00 0.13 C ATOM 1289 CD1 LEU A 80 20.595 14.442 -7.146 1.00 0.15 C ATOM 1290 CD2 LEU A 80 21.947 16.436 -7.749 1.00 0.13 C ATOM 0 H LEU A 80 19.140 18.080 -7.475 1.00 0.15 H new ATOM 0 HA LEU A 80 20.685 17.680 -9.890 1.00 0.17 H new ATOM 0 HB2 LEU A 80 18.677 15.800 -8.625 1.00 0.16 H new ATOM 0 HB3 LEU A 80 20.075 15.395 -9.602 1.00 0.16 H new ATOM 0 HG LEU A 80 20.055 16.458 -6.773 1.00 0.13 H new ATOM 0 HD11 LEU A 80 21.195 14.346 -6.241 1.00 0.15 H new ATOM 0 HD12 LEU A 80 19.584 14.084 -6.951 1.00 0.15 H new ATOM 0 HD13 LEU A 80 21.043 13.848 -7.943 1.00 0.15 H new ATOM 0 HD21 LEU A 80 22.517 16.289 -6.831 1.00 0.13 H new ATOM 0 HD22 LEU A 80 22.437 15.910 -8.568 1.00 0.13 H new ATOM 0 HD23 LEU A 80 21.898 17.500 -7.979 1.00 0.13 H new ATOM 1302 N GLY A 81 17.559 18.339 -10.056 1.00 0.21 N ATOM 1303 CA GLY A 81 16.477 18.625 -10.975 1.00 0.25 C ATOM 1304 C GLY A 81 15.378 17.586 -10.935 1.00 0.25 C ATOM 1305 O GLY A 81 14.630 17.430 -11.901 1.00 0.30 O ATOM 0 H GLY A 81 17.416 18.686 -9.107 1.00 0.21 H new ATOM 0 HA2 GLY A 81 16.055 19.602 -10.738 1.00 0.25 H new ATOM 0 HA3 GLY A 81 16.875 18.687 -11.988 1.00 0.25 H new ATOM 1309 N MET A 82 15.270 16.880 -9.820 1.00 0.22 N ATOM 1310 CA MET A 82 14.199 15.908 -9.647 1.00 0.26 C ATOM 1311 C MET A 82 13.020 16.567 -8.942 1.00 0.26 C ATOM 1312 O MET A 82 13.151 17.655 -8.380 1.00 0.31 O ATOM 1313 CB MET A 82 14.671 14.688 -8.843 1.00 0.36 C ATOM 1314 CG MET A 82 16.160 14.662 -8.554 1.00 0.42 C ATOM 1315 SD MET A 82 16.607 13.347 -7.413 1.00 1.25 S ATOM 1316 CE MET A 82 15.794 11.954 -8.189 1.00 1.17 C ATOM 0 H MET A 82 15.905 16.960 -9.026 1.00 0.22 H new ATOM 0 HA MET A 82 13.893 15.561 -10.634 1.00 0.26 H new ATOM 0 HB2 MET A 82 14.130 14.661 -7.897 1.00 0.36 H new ATOM 0 HB3 MET A 82 14.404 13.783 -9.389 1.00 0.36 H new ATOM 0 HG2 MET A 82 16.707 14.532 -9.488 1.00 0.42 H new ATOM 0 HG3 MET A 82 16.464 15.622 -8.137 1.00 0.42 H new ATOM 0 HE1 MET A 82 15.160 11.450 -7.459 1.00 1.17 H new ATOM 0 HE2 MET A 82 15.182 12.306 -9.020 1.00 1.17 H new ATOM 0 HE3 MET A 82 16.544 11.256 -8.561 1.00 1.17 H new ATOM 1326 N GLU A 83 11.880 15.906 -8.971 1.00 0.27 N ATOM 1327 CA GLU A 83 10.663 16.455 -8.389 1.00 0.31 C ATOM 1328 C GLU A 83 10.032 15.438 -7.440 1.00 0.24 C ATOM 1329 O GLU A 83 10.562 14.343 -7.271 1.00 0.25 O ATOM 1330 CB GLU A 83 9.693 16.847 -9.512 1.00 0.43 C ATOM 1331 CG GLU A 83 8.552 17.737 -9.059 1.00 1.32 C ATOM 1332 CD GLU A 83 9.038 18.963 -8.320 1.00 1.54 C ATOM 1333 OE1 GLU A 83 9.356 19.979 -8.979 1.00 1.86 O ATOM 1334 OE2 GLU A 83 9.117 18.911 -7.078 1.00 2.04 O ATOM 0 H GLU A 83 11.767 14.984 -9.392 1.00 0.27 H new ATOM 0 HA GLU A 83 10.901 17.348 -7.811 1.00 0.31 H new ATOM 0 HB2 GLU A 83 10.250 17.359 -10.297 1.00 0.43 H new ATOM 0 HB3 GLU A 83 9.280 15.940 -9.954 1.00 0.43 H new ATOM 0 HG2 GLU A 83 7.969 18.046 -9.927 1.00 1.32 H new ATOM 0 HG3 GLU A 83 7.884 17.167 -8.413 1.00 1.32 H new ATOM 1341 N GLU A 84 8.939 15.808 -6.780 1.00 0.22 N ATOM 1342 CA GLU A 84 8.205 14.858 -5.955 1.00 0.21 C ATOM 1343 C GLU A 84 7.811 13.621 -6.762 1.00 0.20 C ATOM 1344 O GLU A 84 7.318 13.723 -7.888 1.00 0.22 O ATOM 1345 CB GLU A 84 6.952 15.483 -5.334 1.00 0.23 C ATOM 1346 CG GLU A 84 6.256 14.551 -4.351 1.00 0.37 C ATOM 1347 CD GLU A 84 5.022 15.153 -3.718 1.00 0.75 C ATOM 1348 OE1 GLU A 84 4.505 16.160 -4.238 1.00 1.30 O ATOM 1349 OE2 GLU A 84 4.573 14.618 -2.683 1.00 1.20 O ATOM 0 H GLU A 84 8.546 16.749 -6.800 1.00 0.22 H new ATOM 0 HA GLU A 84 8.875 14.564 -5.147 1.00 0.21 H new ATOM 0 HB2 GLU A 84 7.227 16.405 -4.822 1.00 0.23 H new ATOM 0 HB3 GLU A 84 6.255 15.754 -6.127 1.00 0.23 H new ATOM 0 HG2 GLU A 84 5.978 13.633 -4.868 1.00 0.37 H new ATOM 0 HG3 GLU A 84 6.959 14.274 -3.565 1.00 0.37 H new ATOM 1356 N GLU A 85 8.063 12.466 -6.156 1.00 0.23 N ATOM 1357 CA GLU A 85 7.743 11.158 -6.720 1.00 0.25 C ATOM 1358 C GLU A 85 8.696 10.797 -7.862 1.00 0.23 C ATOM 1359 O GLU A 85 8.394 9.934 -8.687 1.00 0.26 O ATOM 1360 CB GLU A 85 6.273 11.072 -7.134 1.00 0.31 C ATOM 1361 CG GLU A 85 5.328 11.371 -5.981 1.00 0.66 C ATOM 1362 CD GLU A 85 3.910 10.919 -6.247 1.00 0.82 C ATOM 1363 OE1 GLU A 85 3.172 11.629 -6.957 1.00 1.17 O ATOM 1364 OE2 GLU A 85 3.522 9.849 -5.732 1.00 1.39 O ATOM 0 H GLU A 85 8.505 12.411 -5.239 1.00 0.23 H new ATOM 0 HA GLU A 85 7.890 10.411 -5.940 1.00 0.25 H new ATOM 0 HB2 GLU A 85 6.085 11.775 -7.946 1.00 0.31 H new ATOM 0 HB3 GLU A 85 6.065 10.075 -7.521 1.00 0.31 H new ATOM 0 HG2 GLU A 85 5.697 10.881 -5.080 1.00 0.66 H new ATOM 0 HG3 GLU A 85 5.331 12.443 -5.785 1.00 0.66 H new ATOM 1371 N ASP A 86 9.846 11.470 -7.898 1.00 0.19 N ATOM 1372 CA ASP A 86 10.853 11.219 -8.924 1.00 0.18 C ATOM 1373 C ASP A 86 11.579 9.912 -8.629 1.00 0.16 C ATOM 1374 O ASP A 86 11.480 9.392 -7.526 1.00 0.19 O ATOM 1375 CB ASP A 86 11.839 12.382 -9.018 1.00 0.21 C ATOM 1376 CG ASP A 86 12.382 12.550 -10.423 1.00 0.45 C ATOM 1377 OD1 ASP A 86 12.692 11.533 -11.077 1.00 0.79 O ATOM 1378 OD2 ASP A 86 12.475 13.703 -10.885 1.00 0.68 O ATOM 0 H ASP A 86 10.102 12.194 -7.227 1.00 0.19 H new ATOM 0 HA ASP A 86 10.354 11.132 -9.889 1.00 0.18 H new ATOM 0 HB2 ASP A 86 11.345 13.303 -8.707 1.00 0.21 H new ATOM 0 HB3 ASP A 86 12.665 12.214 -8.327 1.00 0.21 H new ATOM 1383 N VAL A 87 12.307 9.391 -9.599 1.00 0.16 N ATOM 1384 CA VAL A 87 12.839 8.039 -9.509 1.00 0.15 C ATOM 1385 C VAL A 87 14.368 8.015 -9.399 1.00 0.14 C ATOM 1386 O VAL A 87 15.078 8.743 -10.091 1.00 0.16 O ATOM 1387 CB VAL A 87 12.375 7.186 -10.717 1.00 0.19 C ATOM 1388 CG1 VAL A 87 12.758 7.845 -12.034 1.00 0.25 C ATOM 1389 CG2 VAL A 87 12.931 5.769 -10.638 1.00 0.23 C ATOM 0 H VAL A 87 12.545 9.882 -10.461 1.00 0.16 H new ATOM 0 HA VAL A 87 12.442 7.606 -8.591 1.00 0.15 H new ATOM 0 HB VAL A 87 11.288 7.122 -10.676 1.00 0.19 H new ATOM 0 HG11 VAL A 87 12.420 7.224 -12.863 1.00 0.25 H new ATOM 0 HG12 VAL A 87 12.288 8.826 -12.100 1.00 0.25 H new ATOM 0 HG13 VAL A 87 13.841 7.957 -12.083 1.00 0.25 H new ATOM 0 HG21 VAL A 87 12.588 5.195 -11.499 1.00 0.23 H new ATOM 0 HG22 VAL A 87 14.020 5.805 -10.637 1.00 0.23 H new ATOM 0 HG23 VAL A 87 12.583 5.292 -9.722 1.00 0.23 H new ATOM 1399 N ILE A 88 14.852 7.158 -8.509 1.00 0.12 N ATOM 1400 CA ILE A 88 16.271 6.950 -8.288 1.00 0.12 C ATOM 1401 C ILE A 88 16.585 5.462 -8.380 1.00 0.12 C ATOM 1402 O ILE A 88 15.888 4.637 -7.796 1.00 0.16 O ATOM 1403 CB ILE A 88 16.706 7.496 -6.907 1.00 0.13 C ATOM 1404 CG1 ILE A 88 16.713 9.023 -6.922 1.00 0.16 C ATOM 1405 CG2 ILE A 88 18.070 6.958 -6.494 1.00 0.14 C ATOM 1406 CD1 ILE A 88 16.705 9.628 -5.531 1.00 0.20 C ATOM 0 H ILE A 88 14.258 6.581 -7.913 1.00 0.12 H new ATOM 0 HA ILE A 88 16.824 7.492 -9.055 1.00 0.12 H new ATOM 0 HB ILE A 88 15.982 7.152 -6.168 1.00 0.13 H new ATOM 0 HG12 ILE A 88 17.595 9.372 -7.459 1.00 0.16 H new ATOM 0 HG13 ILE A 88 15.843 9.380 -7.473 1.00 0.16 H new ATOM 0 HG21 ILE A 88 18.341 7.364 -5.519 1.00 0.14 H new ATOM 0 HG22 ILE A 88 18.030 5.870 -6.436 1.00 0.14 H new ATOM 0 HG23 ILE A 88 18.816 7.255 -7.231 1.00 0.14 H new ATOM 0 HD11 ILE A 88 16.711 10.715 -5.607 1.00 0.20 H new ATOM 0 HD12 ILE A 88 15.810 9.306 -4.999 1.00 0.20 H new ATOM 0 HD13 ILE A 88 17.589 9.298 -4.986 1.00 0.20 H new ATOM 1418 N GLU A 89 17.626 5.124 -9.118 1.00 0.11 N ATOM 1419 CA GLU A 89 17.993 3.736 -9.324 1.00 0.11 C ATOM 1420 C GLU A 89 19.299 3.446 -8.604 1.00 0.11 C ATOM 1421 O GLU A 89 20.195 4.293 -8.562 1.00 0.13 O ATOM 1422 CB GLU A 89 18.124 3.448 -10.818 1.00 0.16 C ATOM 1423 CG GLU A 89 16.866 3.791 -11.599 1.00 0.26 C ATOM 1424 CD GLU A 89 16.999 3.530 -13.082 1.00 0.74 C ATOM 1425 OE1 GLU A 89 17.467 4.430 -13.809 1.00 0.94 O ATOM 1426 OE2 GLU A 89 16.629 2.425 -13.527 1.00 1.35 O ATOM 0 H GLU A 89 18.235 5.795 -9.587 1.00 0.11 H new ATOM 0 HA GLU A 89 17.216 3.088 -8.918 1.00 0.11 H new ATOM 0 HB2 GLU A 89 18.962 4.017 -11.220 1.00 0.16 H new ATOM 0 HB3 GLU A 89 18.358 2.393 -10.960 1.00 0.16 H new ATOM 0 HG2 GLU A 89 16.032 3.209 -11.207 1.00 0.26 H new ATOM 0 HG3 GLU A 89 16.623 4.842 -11.441 1.00 0.26 H new ATOM 1433 N VAL A 90 19.396 2.265 -8.030 1.00 0.10 N ATOM 1434 CA VAL A 90 20.574 1.867 -7.284 1.00 0.11 C ATOM 1435 C VAL A 90 21.474 0.973 -8.123 1.00 0.10 C ATOM 1436 O VAL A 90 21.025 0.022 -8.760 1.00 0.12 O ATOM 1437 CB VAL A 90 20.183 1.156 -5.963 1.00 0.12 C ATOM 1438 CG1 VAL A 90 21.221 0.133 -5.535 1.00 0.12 C ATOM 1439 CG2 VAL A 90 19.984 2.173 -4.857 1.00 0.15 C ATOM 0 H VAL A 90 18.664 1.555 -8.066 1.00 0.10 H new ATOM 0 HA VAL A 90 21.128 2.772 -7.033 1.00 0.11 H new ATOM 0 HB VAL A 90 19.249 0.626 -6.148 1.00 0.12 H new ATOM 0 HG11 VAL A 90 20.904 -0.339 -4.605 1.00 0.12 H new ATOM 0 HG12 VAL A 90 21.325 -0.626 -6.310 1.00 0.12 H new ATOM 0 HG13 VAL A 90 22.179 0.629 -5.382 1.00 0.12 H new ATOM 0 HG21 VAL A 90 19.710 1.659 -3.935 1.00 0.15 H new ATOM 0 HG22 VAL A 90 20.909 2.728 -4.702 1.00 0.15 H new ATOM 0 HG23 VAL A 90 19.189 2.864 -5.137 1.00 0.15 H new ATOM 1449 N TYR A 91 22.746 1.304 -8.103 1.00 0.12 N ATOM 1450 CA TYR A 91 23.765 0.557 -8.811 1.00 0.14 C ATOM 1451 C TYR A 91 24.914 0.310 -7.855 1.00 0.14 C ATOM 1452 O TYR A 91 24.918 0.836 -6.743 1.00 0.20 O ATOM 1453 CB TYR A 91 24.243 1.306 -10.061 1.00 0.17 C ATOM 1454 CG TYR A 91 23.190 1.440 -11.138 1.00 0.19 C ATOM 1455 CD1 TYR A 91 22.921 0.399 -12.018 1.00 0.43 C ATOM 1456 CD2 TYR A 91 22.463 2.614 -11.277 1.00 0.26 C ATOM 1457 CE1 TYR A 91 21.957 0.528 -13.001 1.00 0.49 C ATOM 1458 CE2 TYR A 91 21.501 2.754 -12.254 1.00 0.25 C ATOM 1459 CZ TYR A 91 21.251 1.709 -13.114 1.00 0.30 C ATOM 1460 OH TYR A 91 20.289 1.840 -14.089 1.00 0.36 O ATOM 0 H TYR A 91 23.107 2.108 -7.589 1.00 0.12 H new ATOM 0 HA TYR A 91 23.352 -0.391 -9.155 1.00 0.14 H new ATOM 0 HB2 TYR A 91 24.579 2.301 -9.770 1.00 0.17 H new ATOM 0 HB3 TYR A 91 25.107 0.787 -10.475 1.00 0.17 H new ATOM 0 HD1 TYR A 91 23.473 -0.525 -11.933 1.00 0.43 H new ATOM 0 HD2 TYR A 91 22.655 3.437 -10.604 1.00 0.26 H new ATOM 0 HE1 TYR A 91 21.758 -0.291 -13.677 1.00 0.49 H new ATOM 0 HE2 TYR A 91 20.947 3.677 -12.344 1.00 0.25 H new ATOM 0 HH TYR A 91 19.885 2.731 -14.032 1.00 0.36 H new ATOM 1470 N GLN A 92 25.863 -0.505 -8.255 1.00 0.19 N ATOM 1471 CA GLN A 92 26.931 -0.893 -7.363 1.00 0.21 C ATOM 1472 C GLN A 92 28.117 0.051 -7.506 1.00 0.23 C ATOM 1473 O GLN A 92 28.621 0.274 -8.604 1.00 0.26 O ATOM 1474 CB GLN A 92 27.355 -2.331 -7.644 1.00 0.27 C ATOM 1475 CG GLN A 92 27.745 -3.078 -6.384 1.00 0.24 C ATOM 1476 CD GLN A 92 26.821 -4.238 -6.083 1.00 0.36 C ATOM 1477 OE1 GLN A 92 25.799 -3.986 -5.284 1.00 0.37 O flip ATOM 1478 NE2 GLN A 92 27.035 -5.358 -6.542 1.00 0.68 N flip ATOM 0 H GLN A 92 25.917 -0.911 -9.189 1.00 0.19 H new ATOM 0 HA GLN A 92 26.567 -0.831 -6.337 1.00 0.21 H new ATOM 0 HB2 GLN A 92 26.538 -2.858 -8.136 1.00 0.27 H new ATOM 0 HB3 GLN A 92 28.197 -2.329 -8.337 1.00 0.27 H new ATOM 0 HG2 GLN A 92 28.765 -3.449 -6.487 1.00 0.24 H new ATOM 0 HG3 GLN A 92 27.741 -2.387 -5.541 1.00 0.24 H new ATOM 0 HE21 GLN A 92 27.835 -5.513 -7.156 1.00 0.68 H new ATOM 0 HE22 GLN A 92 26.413 -6.132 -6.309 1.00 0.68 H new ATOM 1487 N GLU A 93 28.542 0.607 -6.377 1.00 0.25 N ATOM 1488 CA GLU A 93 29.653 1.547 -6.328 1.00 0.28 C ATOM 1489 C GLU A 93 30.966 0.820 -6.559 1.00 0.32 C ATOM 1490 O GLU A 93 31.842 1.291 -7.280 1.00 0.35 O ATOM 1491 CB GLU A 93 29.664 2.229 -4.962 1.00 0.29 C ATOM 1492 CG GLU A 93 29.372 3.706 -5.006 1.00 0.42 C ATOM 1493 CD GLU A 93 30.449 4.504 -5.699 1.00 1.03 C ATOM 1494 OE1 GLU A 93 30.575 4.389 -6.935 1.00 1.79 O ATOM 1495 OE2 GLU A 93 31.197 5.225 -5.012 1.00 1.25 O ATOM 0 H GLU A 93 28.123 0.417 -5.467 1.00 0.25 H new ATOM 0 HA GLU A 93 29.533 2.296 -7.111 1.00 0.28 H new ATOM 0 HB2 GLU A 93 28.928 1.744 -4.320 1.00 0.29 H new ATOM 0 HB3 GLU A 93 30.640 2.077 -4.500 1.00 0.29 H new ATOM 0 HG2 GLU A 93 28.423 3.867 -5.518 1.00 0.42 H new ATOM 0 HG3 GLU A 93 29.252 4.077 -3.988 1.00 0.42 H new ATOM 1502 N GLN A 94 31.080 -0.333 -5.926 1.00 0.40 N ATOM 1503 CA GLN A 94 32.231 -1.204 -6.083 1.00 0.44 C ATOM 1504 C GLN A 94 31.880 -2.593 -5.566 1.00 0.42 C ATOM 1505 O GLN A 94 30.704 -2.949 -5.536 1.00 0.48 O ATOM 1506 CB GLN A 94 33.451 -0.643 -5.358 1.00 0.49 C ATOM 1507 CG GLN A 94 33.206 -0.451 -3.895 1.00 0.82 C ATOM 1508 CD GLN A 94 34.462 -0.588 -3.063 1.00 1.24 C ATOM 1509 OE1 GLN A 94 35.371 -1.349 -3.402 1.00 1.90 O ATOM 1510 NE2 GLN A 94 34.543 0.181 -1.991 1.00 1.95 N ATOM 0 H GLN A 94 30.373 -0.694 -5.285 1.00 0.40 H new ATOM 0 HA GLN A 94 32.487 -1.268 -7.140 1.00 0.44 H new ATOM 0 HB2 GLN A 94 34.295 -1.318 -5.497 1.00 0.49 H new ATOM 0 HB3 GLN A 94 33.729 0.311 -5.805 1.00 0.49 H new ATOM 0 HG2 GLN A 94 32.774 0.536 -3.731 1.00 0.82 H new ATOM 0 HG3 GLN A 94 32.471 -1.181 -3.556 1.00 0.82 H new ATOM 0 HE21 GLN A 94 33.768 0.797 -1.745 1.00 1.95 H new ATOM 0 HE22 GLN A 94 35.381 0.159 -1.409 1.00 1.95 H new ATOM 1519 N THR A 95 32.881 -3.367 -5.163 1.00 0.44 N ATOM 1520 CA THR A 95 32.657 -4.723 -4.672 1.00 0.52 C ATOM 1521 C THR A 95 31.611 -4.742 -3.548 1.00 0.47 C ATOM 1522 O THR A 95 31.545 -3.829 -2.717 1.00 0.57 O ATOM 1523 CB THR A 95 33.978 -5.357 -4.177 1.00 0.72 C ATOM 1524 OG1 THR A 95 33.781 -6.746 -3.864 1.00 1.17 O ATOM 1525 CG2 THR A 95 34.518 -4.629 -2.953 1.00 0.80 C ATOM 0 H THR A 95 33.859 -3.078 -5.166 1.00 0.44 H new ATOM 0 HA THR A 95 32.277 -5.313 -5.506 1.00 0.52 H new ATOM 0 HB THR A 95 34.708 -5.267 -4.981 1.00 0.72 H new ATOM 0 HG1 THR A 95 34.626 -7.134 -3.554 1.00 1.17 H new ATOM 0 HG21 THR A 95 35.447 -5.099 -2.630 1.00 0.80 H new ATOM 0 HG22 THR A 95 34.708 -3.586 -3.205 1.00 0.80 H new ATOM 0 HG23 THR A 95 33.786 -4.680 -2.147 1.00 0.80 H new ATOM 1533 N GLY A 96 30.768 -5.769 -3.567 1.00 0.59 N ATOM 1534 CA GLY A 96 29.701 -5.891 -2.593 1.00 0.65 C ATOM 1535 C GLY A 96 30.198 -6.221 -1.197 1.00 0.72 C ATOM 1536 O GLY A 96 31.375 -6.516 -0.993 1.00 0.99 O ATOM 0 H GLY A 96 30.807 -6.527 -4.249 1.00 0.59 H new ATOM 0 HA2 GLY A 96 29.140 -4.957 -2.560 1.00 0.65 H new ATOM 0 HA3 GLY A 96 29.009 -6.668 -2.918 1.00 0.65 H new ATOM 1540 N GLY A 97 29.278 -6.217 -0.247 1.00 0.82 N ATOM 1541 CA GLY A 97 29.627 -6.429 1.143 1.00 1.11 C ATOM 1542 C GLY A 97 28.864 -7.594 1.730 1.00 1.32 C ATOM 1543 O GLY A 97 29.345 -8.204 2.706 1.00 1.74 O ATOM 1544 OXT GLY A 97 27.773 -7.903 1.212 1.00 1.79 O ATOM 0 H GLY A 97 28.283 -6.069 -0.416 1.00 0.82 H new ATOM 0 HA2 GLY A 97 30.698 -6.614 1.227 1.00 1.11 H new ATOM 0 HA3 GLY A 97 29.413 -5.526 1.715 1.00 1.11 H new TER 1548 GLY A 97 ATOM 1549 N LYS B 721 29.359 -26.804 3.185 1.00 23.34 N ATOM 1550 CA LYS B 721 28.529 -27.951 3.617 1.00 23.33 C ATOM 1551 C LYS B 721 27.345 -28.107 2.674 1.00 22.27 C ATOM 1552 O LYS B 721 27.412 -27.698 1.514 1.00 22.01 O ATOM 1553 CB LYS B 721 28.005 -27.749 5.040 1.00 23.86 C ATOM 1554 CG LYS B 721 29.088 -27.497 6.063 1.00 24.92 C ATOM 1555 CD LYS B 721 29.228 -26.010 6.348 1.00 25.37 C ATOM 1556 CE LYS B 721 30.181 -25.737 7.499 1.00 26.01 C ATOM 1557 NZ LYS B 721 30.194 -24.297 7.869 1.00 26.46 N ATOM 0 HA LYS B 721 29.152 -28.845 3.596 1.00 23.33 H new ATOM 0 HB2 LYS B 721 27.312 -26.908 5.045 1.00 23.86 H new ATOM 0 HB3 LYS B 721 27.438 -28.631 5.336 1.00 23.86 H new ATOM 0 HG2 LYS B 721 28.853 -28.028 6.986 1.00 24.92 H new ATOM 0 HG3 LYS B 721 30.036 -27.893 5.700 1.00 24.92 H new ATOM 0 HD2 LYS B 721 29.586 -25.502 5.453 1.00 25.37 H new ATOM 0 HD3 LYS B 721 28.249 -25.592 6.582 1.00 25.37 H new ATOM 0 HE2 LYS B 721 29.888 -26.333 8.364 1.00 26.01 H new ATOM 0 HE3 LYS B 721 31.187 -26.051 7.221 1.00 26.01 H new ATOM 0 HZ1 LYS B 721 30.855 -24.147 8.658 1.00 26.46 H new ATOM 0 HZ2 LYS B 721 30.497 -23.731 7.051 1.00 26.46 H new ATOM 0 HZ3 LYS B 721 29.239 -24.004 8.158 1.00 26.46 H new ATOM 1571 N THR B 722 26.269 -28.703 3.173 1.00 21.74 N ATOM 1572 CA THR B 722 25.018 -28.760 2.441 1.00 20.74 C ATOM 1573 C THR B 722 24.563 -27.348 2.053 1.00 19.93 C ATOM 1574 O THR B 722 24.672 -26.402 2.840 1.00 20.05 O ATOM 1575 CB THR B 722 23.916 -29.467 3.269 1.00 20.58 C ATOM 1576 OG1 THR B 722 22.698 -29.560 2.519 1.00 20.45 O ATOM 1577 CG2 THR B 722 23.657 -28.731 4.576 1.00 21.21 C ATOM 0 H THR B 722 26.242 -29.155 4.087 1.00 21.74 H new ATOM 0 HA THR B 722 25.186 -29.341 1.534 1.00 20.74 H new ATOM 0 HB THR B 722 24.270 -30.472 3.498 1.00 20.58 H new ATOM 0 HG1 THR B 722 22.015 -30.011 3.058 1.00 20.45 H new ATOM 0 HG21 THR B 722 22.879 -29.249 5.137 1.00 21.21 H new ATOM 0 HG22 THR B 722 24.573 -28.704 5.166 1.00 21.21 H new ATOM 0 HG23 THR B 722 23.333 -27.713 4.362 1.00 21.21 H new ATOM 1585 N SER B 723 24.112 -27.207 0.820 1.00 19.19 N ATOM 1586 CA SER B 723 23.643 -25.927 0.326 1.00 18.40 C ATOM 1587 C SER B 723 22.181 -25.715 0.699 1.00 17.37 C ATOM 1588 O SER B 723 21.393 -26.664 0.748 1.00 17.20 O ATOM 1589 CB SER B 723 23.827 -25.839 -1.192 1.00 18.37 C ATOM 1590 OG SER B 723 23.471 -24.554 -1.682 1.00 18.76 O ATOM 0 H SER B 723 24.061 -27.966 0.141 1.00 19.19 H new ATOM 0 HA SER B 723 24.235 -25.139 0.792 1.00 18.40 H new ATOM 0 HB2 SER B 723 24.865 -26.053 -1.448 1.00 18.37 H new ATOM 0 HB3 SER B 723 23.215 -26.598 -1.679 1.00 18.37 H new ATOM 0 HG SER B 723 23.600 -24.527 -2.653 1.00 18.76 H new ATOM 1596 N VAL B 724 21.834 -24.469 0.961 1.00 16.76 N ATOM 1597 CA VAL B 724 20.473 -24.104 1.312 1.00 15.78 C ATOM 1598 C VAL B 724 19.990 -22.999 0.378 1.00 14.88 C ATOM 1599 O VAL B 724 20.790 -22.195 -0.104 1.00 15.05 O ATOM 1600 CB VAL B 724 20.368 -23.653 2.791 1.00 15.85 C ATOM 1601 CG1 VAL B 724 21.176 -22.390 3.045 1.00 15.86 C ATOM 1602 CG2 VAL B 724 18.916 -23.458 3.205 1.00 15.16 C ATOM 0 H VAL B 724 22.484 -23.683 0.937 1.00 16.76 H new ATOM 0 HA VAL B 724 19.838 -24.982 1.197 1.00 15.78 H new ATOM 0 HB VAL B 724 20.791 -24.448 3.405 1.00 15.85 H new ATOM 0 HG11 VAL B 724 21.080 -22.101 4.092 1.00 15.86 H new ATOM 0 HG12 VAL B 724 22.225 -22.577 2.814 1.00 15.86 H new ATOM 0 HG13 VAL B 724 20.803 -21.586 2.411 1.00 15.86 H new ATOM 0 HG21 VAL B 724 18.874 -23.142 4.247 1.00 15.16 H new ATOM 0 HG22 VAL B 724 18.458 -22.695 2.576 1.00 15.16 H new ATOM 0 HG23 VAL B 724 18.375 -24.397 3.089 1.00 15.16 H new ATOM 1612 N ALA B 725 18.696 -22.975 0.103 1.00 14.05 N ATOM 1613 CA ALA B 725 18.138 -21.972 -0.783 1.00 13.23 C ATOM 1614 C ALA B 725 17.219 -21.034 -0.016 1.00 12.42 C ATOM 1615 O ALA B 725 16.396 -21.473 0.791 1.00 12.30 O ATOM 1616 CB ALA B 725 17.391 -22.631 -1.933 1.00 12.89 C ATOM 0 H ALA B 725 18.017 -23.636 0.480 1.00 14.05 H new ATOM 0 HA ALA B 725 18.958 -21.386 -1.198 1.00 13.23 H new ATOM 0 HB1 ALA B 725 16.979 -21.863 -2.587 1.00 12.89 H new ATOM 0 HB2 ALA B 725 18.077 -23.260 -2.500 1.00 12.89 H new ATOM 0 HB3 ALA B 725 16.580 -23.243 -1.537 1.00 12.89 H new ATOM 1622 N THR B 726 17.363 -19.748 -0.274 1.00 11.98 N ATOM 1623 CA THR B 726 16.569 -18.734 0.397 1.00 11.24 C ATOM 1624 C THR B 726 15.420 -18.287 -0.504 1.00 10.08 C ATOM 1625 O THR B 726 15.588 -18.165 -1.717 1.00 9.86 O ATOM 1626 CB THR B 726 17.447 -17.522 0.772 1.00 11.44 C ATOM 1627 OG1 THR B 726 18.611 -17.970 1.479 1.00 12.47 O ATOM 1628 CG2 THR B 726 16.682 -16.529 1.633 1.00 10.81 C ATOM 0 H THR B 726 18.030 -19.377 -0.951 1.00 11.98 H new ATOM 0 HA THR B 726 16.158 -19.163 1.311 1.00 11.24 H new ATOM 0 HB THR B 726 17.741 -17.020 -0.150 1.00 11.44 H new ATOM 0 HG1 THR B 726 19.168 -17.199 1.714 1.00 12.47 H new ATOM 0 HG21 THR B 726 17.329 -15.687 1.880 1.00 10.81 H new ATOM 0 HG22 THR B 726 15.811 -16.169 1.086 1.00 10.81 H new ATOM 0 HG23 THR B 726 16.357 -17.018 2.551 1.00 10.81 H new ATOM 1636 N GLN B 727 14.256 -18.057 0.088 1.00 9.47 N ATOM 1637 CA GLN B 727 13.110 -17.565 -0.659 1.00 8.43 C ATOM 1638 C GLN B 727 13.218 -16.056 -0.815 1.00 7.65 C ATOM 1639 O GLN B 727 14.044 -15.416 -0.160 1.00 7.99 O ATOM 1640 CB GLN B 727 11.813 -17.913 0.074 1.00 8.39 C ATOM 1641 CG GLN B 727 11.633 -17.142 1.372 1.00 8.72 C ATOM 1642 CD GLN B 727 10.327 -17.464 2.075 1.00 8.93 C ATOM 1643 OE1 GLN B 727 9.322 -17.783 1.436 1.00 8.98 O ATOM 1644 NE2 GLN B 727 10.332 -17.377 3.398 1.00 9.30 N ATOM 0 H GLN B 727 14.082 -18.203 1.082 1.00 9.47 H new ATOM 0 HA GLN B 727 13.097 -18.036 -1.642 1.00 8.43 H new ATOM 0 HB2 GLN B 727 10.967 -17.710 -0.582 1.00 8.39 H new ATOM 0 HB3 GLN B 727 11.800 -18.982 0.289 1.00 8.39 H new ATOM 0 HG2 GLN B 727 12.464 -17.367 2.040 1.00 8.72 H new ATOM 0 HG3 GLN B 727 11.673 -16.073 1.162 1.00 8.72 H new ATOM 0 HE21 GLN B 727 11.186 -17.110 3.888 1.00 9.30 H new ATOM 0 HE22 GLN B 727 9.482 -17.578 3.926 1.00 9.30 H new ATOM 1653 N CYS B 728 12.396 -15.481 -1.669 1.00 6.74 N ATOM 1654 CA CYS B 728 12.439 -14.052 -1.884 1.00 6.01 C ATOM 1655 C CYS B 728 11.248 -13.369 -1.225 1.00 5.23 C ATOM 1656 O CYS B 728 10.109 -13.820 -1.347 1.00 5.13 O ATOM 1657 CB CYS B 728 12.491 -13.744 -3.379 1.00 5.72 C ATOM 1658 SG CYS B 728 11.151 -14.476 -4.344 1.00 5.93 S ATOM 0 H CYS B 728 11.696 -15.977 -2.221 1.00 6.74 H new ATOM 0 HA CYS B 728 13.344 -13.658 -1.422 1.00 6.01 H new ATOM 0 HB2 CYS B 728 12.470 -12.663 -3.515 1.00 5.72 H new ATOM 0 HB3 CYS B 728 13.442 -14.097 -3.777 1.00 5.72 H new ATOM 0 HG CYS B 728 11.290 -14.151 -5.595 1.00 5.93 H new ATOM 1664 N ASP B 729 11.533 -12.281 -0.527 1.00 4.88 N ATOM 1665 CA ASP B 729 10.524 -11.517 0.180 1.00 4.30 C ATOM 1666 C ASP B 729 10.830 -10.038 0.050 1.00 3.24 C ATOM 1667 O ASP B 729 11.997 -9.642 -0.007 1.00 3.27 O ATOM 1668 CB ASP B 729 10.469 -11.905 1.665 1.00 4.94 C ATOM 1669 CG ASP B 729 9.668 -13.166 1.921 1.00 5.81 C ATOM 1670 OD1 ASP B 729 8.484 -13.217 1.527 1.00 6.15 O ATOM 1671 OD2 ASP B 729 10.225 -14.122 2.505 1.00 6.40 O ATOM 0 H ASP B 729 12.476 -11.903 -0.436 1.00 4.88 H new ATOM 0 HA ASP B 729 9.553 -11.738 -0.263 1.00 4.30 H new ATOM 0 HB2 ASP B 729 11.484 -12.045 2.036 1.00 4.94 H new ATOM 0 HB3 ASP B 729 10.033 -11.083 2.233 1.00 4.94 H new ATOM 1676 N PRO B 730 9.782 -9.211 -0.017 1.00 2.69 N ATOM 1677 CA PRO B 730 9.914 -7.770 -0.066 1.00 1.98 C ATOM 1678 C PRO B 730 10.448 -7.233 1.243 1.00 1.62 C ATOM 1679 O PRO B 730 10.378 -7.881 2.294 1.00 1.76 O ATOM 1680 CB PRO B 730 8.486 -7.258 -0.309 1.00 2.46 C ATOM 1681 CG PRO B 730 7.692 -8.456 -0.668 1.00 3.15 C ATOM 1682 CD PRO B 730 8.390 -9.619 -0.033 1.00 3.33 C ATOM 0 HA PRO B 730 10.611 -7.449 -0.840 1.00 1.98 H new ATOM 0 HB2 PRO B 730 8.086 -6.774 0.582 1.00 2.46 H new ATOM 0 HB3 PRO B 730 8.465 -6.519 -1.110 1.00 2.46 H new ATOM 0 HG2 PRO B 730 6.668 -8.369 -0.304 1.00 3.15 H new ATOM 0 HG3 PRO B 730 7.636 -8.578 -1.750 1.00 3.15 H new ATOM 0 HD2 PRO B 730 8.016 -9.811 0.973 1.00 3.33 H new ATOM 0 HD3 PRO B 730 8.247 -10.535 -0.606 1.00 3.33 H new ATOM 1690 N GLU B 731 10.967 -6.050 1.162 1.00 1.33 N ATOM 1691 CA GLU B 731 11.636 -5.418 2.282 1.00 1.11 C ATOM 1692 C GLU B 731 10.848 -4.251 2.847 1.00 0.98 C ATOM 1693 O GLU B 731 9.834 -3.829 2.290 1.00 1.17 O ATOM 1694 CB GLU B 731 13.021 -4.931 1.878 1.00 1.22 C ATOM 1695 CG GLU B 731 13.134 -4.503 0.426 1.00 1.01 C ATOM 1696 CD GLU B 731 11.983 -3.631 -0.060 1.00 1.84 C ATOM 1697 OE1 GLU B 731 11.921 -2.455 0.351 1.00 2.59 O ATOM 1698 OE2 GLU B 731 11.152 -4.113 -0.848 1.00 2.37 O ATOM 0 H GLU B 731 10.945 -5.481 0.316 1.00 1.33 H new ATOM 0 HA GLU B 731 11.719 -6.179 3.058 1.00 1.11 H new ATOM 0 HB2 GLU B 731 13.298 -4.091 2.515 1.00 1.22 H new ATOM 0 HB3 GLU B 731 13.742 -5.726 2.067 1.00 1.22 H new ATOM 0 HG2 GLU B 731 14.069 -3.959 0.291 1.00 1.01 H new ATOM 0 HG3 GLU B 731 13.190 -5.393 -0.200 1.00 1.01 H new ATOM 1705 N GLU B 732 11.304 -3.784 3.990 1.00 0.91 N ATOM 1706 CA GLU B 732 10.825 -2.542 4.569 1.00 0.89 C ATOM 1707 C GLU B 732 11.966 -1.547 4.696 1.00 0.66 C ATOM 1708 O GLU B 732 12.898 -1.783 5.455 1.00 0.71 O ATOM 1709 CB GLU B 732 10.218 -2.765 5.948 1.00 1.15 C ATOM 1710 CG GLU B 732 9.966 -1.462 6.683 1.00 1.40 C ATOM 1711 CD GLU B 732 9.611 -1.670 8.140 1.00 2.02 C ATOM 1712 OE1 GLU B 732 8.421 -1.908 8.440 1.00 2.41 O ATOM 1713 OE2 GLU B 732 10.525 -1.618 8.991 1.00 2.40 O ATOM 0 H GLU B 732 12.018 -4.254 4.546 1.00 0.91 H new ATOM 0 HA GLU B 732 10.055 -2.151 3.904 1.00 0.89 H new ATOM 0 HB2 GLU B 732 9.279 -3.309 5.846 1.00 1.15 H new ATOM 0 HB3 GLU B 732 10.886 -3.390 6.540 1.00 1.15 H new ATOM 0 HG2 GLU B 732 10.855 -0.835 6.616 1.00 1.40 H new ATOM 0 HG3 GLU B 732 9.157 -0.922 6.190 1.00 1.40 H new ATOM 1720 N ILE B 733 11.913 -0.461 3.959 1.00 0.53 N ATOM 1721 CA ILE B 733 12.845 0.630 4.187 1.00 0.40 C ATOM 1722 C ILE B 733 12.065 1.841 4.662 1.00 0.35 C ATOM 1723 O ILE B 733 11.055 2.205 4.063 1.00 0.38 O ATOM 1724 CB ILE B 733 13.679 1.004 2.936 1.00 0.38 C ATOM 1725 CG1 ILE B 733 14.705 -0.084 2.616 1.00 0.48 C ATOM 1726 CG2 ILE B 733 14.398 2.326 3.157 1.00 0.45 C ATOM 1727 CD1 ILE B 733 14.103 -1.394 2.195 1.00 1.01 C ATOM 0 H ILE B 733 11.245 -0.306 3.204 1.00 0.53 H new ATOM 0 HA ILE B 733 13.559 0.296 4.940 1.00 0.40 H new ATOM 0 HB ILE B 733 12.993 1.099 2.094 1.00 0.38 H new ATOM 0 HG12 ILE B 733 15.361 0.273 1.822 1.00 0.48 H new ATOM 0 HG13 ILE B 733 15.329 -0.249 3.495 1.00 0.48 H new ATOM 0 HG21 ILE B 733 14.980 2.576 2.270 1.00 0.45 H new ATOM 0 HG22 ILE B 733 13.666 3.112 3.344 1.00 0.45 H new ATOM 0 HG23 ILE B 733 15.064 2.239 4.015 1.00 0.45 H new ATOM 0 HD11 ILE B 733 14.898 -2.110 1.987 1.00 1.01 H new ATOM 0 HD12 ILE B 733 13.470 -1.777 2.995 1.00 1.01 H new ATOM 0 HD13 ILE B 733 13.503 -1.247 1.297 1.00 1.01 H new ATOM 1739 N ILE B 734 12.506 2.444 5.749 1.00 0.31 N ATOM 1740 CA ILE B 734 11.808 3.571 6.338 1.00 0.30 C ATOM 1741 C ILE B 734 12.319 4.888 5.768 1.00 0.29 C ATOM 1742 O ILE B 734 13.323 4.922 5.057 1.00 0.37 O ATOM 1743 CB ILE B 734 11.980 3.567 7.876 1.00 0.29 C ATOM 1744 CG1 ILE B 734 13.338 2.962 8.287 1.00 0.28 C ATOM 1745 CG2 ILE B 734 10.838 2.802 8.529 1.00 0.34 C ATOM 1746 CD1 ILE B 734 14.550 3.784 7.885 1.00 0.29 C ATOM 0 H ILE B 734 13.353 2.169 6.246 1.00 0.31 H new ATOM 0 HA ILE B 734 10.750 3.474 6.094 1.00 0.30 H new ATOM 0 HB ILE B 734 11.958 4.601 8.221 1.00 0.29 H new ATOM 0 HG12 ILE B 734 13.349 2.830 9.369 1.00 0.28 H new ATOM 0 HG13 ILE B 734 13.427 1.970 7.844 1.00 0.28 H new ATOM 0 HG21 ILE B 734 10.969 2.806 9.611 1.00 0.34 H new ATOM 0 HG22 ILE B 734 9.890 3.278 8.277 1.00 0.34 H new ATOM 0 HG23 ILE B 734 10.835 1.774 8.167 1.00 0.34 H new ATOM 0 HD11 ILE B 734 15.458 3.280 8.216 1.00 0.29 H new ATOM 0 HD12 ILE B 734 14.571 3.895 6.801 1.00 0.29 H new ATOM 0 HD13 ILE B 734 14.492 4.769 8.349 1.00 0.29 H new ATOM 1758 N VAL B 735 11.617 5.969 6.068 1.00 0.29 N ATOM 1759 CA VAL B 735 12.054 7.282 5.645 1.00 0.28 C ATOM 1760 C VAL B 735 12.674 8.040 6.802 1.00 0.29 C ATOM 1761 O VAL B 735 12.236 7.945 7.949 1.00 0.34 O ATOM 1762 CB VAL B 735 10.916 8.113 5.008 1.00 0.31 C ATOM 1763 CG1 VAL B 735 11.330 9.573 4.836 1.00 0.39 C ATOM 1764 CG2 VAL B 735 10.552 7.533 3.656 1.00 0.60 C ATOM 0 H VAL B 735 10.747 5.960 6.600 1.00 0.29 H new ATOM 0 HA VAL B 735 12.808 7.126 4.873 1.00 0.28 H new ATOM 0 HB VAL B 735 10.054 8.073 5.674 1.00 0.31 H new ATOM 0 HG11 VAL B 735 10.510 10.133 4.386 1.00 0.39 H new ATOM 0 HG12 VAL B 735 11.570 10.000 5.810 1.00 0.39 H new ATOM 0 HG13 VAL B 735 12.206 9.629 4.189 1.00 0.39 H new ATOM 0 HG21 VAL B 735 9.750 8.122 3.211 1.00 0.60 H new ATOM 0 HG22 VAL B 735 11.424 7.557 3.003 1.00 0.60 H new ATOM 0 HG23 VAL B 735 10.220 6.502 3.780 1.00 0.60 H new ATOM 1774 N LEU B 736 13.694 8.785 6.454 1.00 0.28 N ATOM 1775 CA LEU B 736 14.461 9.590 7.381 1.00 0.32 C ATOM 1776 C LEU B 736 13.762 10.909 7.650 1.00 0.33 C ATOM 1777 O LEU B 736 12.780 11.242 6.989 1.00 0.35 O ATOM 1778 CB LEU B 736 15.826 9.845 6.767 1.00 0.43 C ATOM 1779 CG LEU B 736 15.784 10.184 5.278 1.00 0.32 C ATOM 1780 CD1 LEU B 736 16.139 11.640 5.034 1.00 0.45 C ATOM 1781 CD2 LEU B 736 16.714 9.267 4.521 1.00 0.43 C ATOM 0 H LEU B 736 14.025 8.852 5.492 1.00 0.28 H new ATOM 0 HA LEU B 736 14.561 9.063 8.330 1.00 0.32 H new ATOM 0 HB2 LEU B 736 16.306 10.664 7.302 1.00 0.43 H new ATOM 0 HB3 LEU B 736 16.448 8.962 6.911 1.00 0.43 H new ATOM 0 HG LEU B 736 14.767 10.034 4.916 1.00 0.32 H new ATOM 0 HD11 LEU B 736 16.100 11.850 3.965 1.00 0.45 H new ATOM 0 HD12 LEU B 736 15.428 12.280 5.556 1.00 0.45 H new ATOM 0 HD13 LEU B 736 17.145 11.837 5.406 1.00 0.45 H new ATOM 0 HD21 LEU B 736 16.682 9.512 3.459 1.00 0.43 H new ATOM 0 HD22 LEU B 736 17.731 9.394 4.892 1.00 0.43 H new ATOM 0 HD23 LEU B 736 16.402 8.233 4.665 1.00 0.43 H new ATOM 1793 N SER B 737 14.264 11.664 8.607 1.00 0.40 N ATOM 1794 CA SER B 737 13.639 12.918 8.980 1.00 0.49 C ATOM 1795 C SER B 737 14.103 14.033 8.051 1.00 0.55 C ATOM 1796 O SER B 737 15.061 13.863 7.287 1.00 0.57 O ATOM 1797 CB SER B 737 13.987 13.248 10.433 1.00 0.56 C ATOM 1798 OG SER B 737 15.385 13.129 10.660 1.00 1.51 O ATOM 0 H SER B 737 15.102 11.432 9.140 1.00 0.40 H new ATOM 0 HA SER B 737 12.557 12.825 8.887 1.00 0.49 H new ATOM 0 HB2 SER B 737 13.662 14.261 10.668 1.00 0.56 H new ATOM 0 HB3 SER B 737 13.448 12.577 11.102 1.00 0.56 H new ATOM 0 HG SER B 737 15.584 13.346 11.595 1.00 1.51 H new ATOM 1804 N ASP B 738 13.440 15.177 8.140 1.00 0.80 N ATOM 1805 CA ASP B 738 13.593 16.229 7.149 1.00 0.92 C ATOM 1806 C ASP B 738 14.938 16.928 7.254 1.00 0.86 C ATOM 1807 O ASP B 738 15.380 17.310 8.333 1.00 1.00 O ATOM 1808 CB ASP B 738 12.460 17.258 7.269 1.00 1.31 C ATOM 1809 CG ASP B 738 12.372 17.902 8.643 1.00 1.55 C ATOM 1810 OD1 ASP B 738 11.772 17.296 9.552 1.00 1.76 O ATOM 1811 OD2 ASP B 738 12.922 19.015 8.822 1.00 1.90 O ATOM 0 H ASP B 738 12.788 15.400 8.892 1.00 0.80 H new ATOM 0 HA ASP B 738 13.544 15.750 6.171 1.00 0.92 H new ATOM 0 HB2 ASP B 738 12.605 18.036 6.520 1.00 1.31 H new ATOM 0 HB3 ASP B 738 11.511 16.771 7.043 1.00 1.31 H new ATOM 1816 N SER B 739 15.589 17.040 6.110 1.00 0.81 N ATOM 1817 CA SER B 739 16.796 17.830 5.970 1.00 0.85 C ATOM 1818 C SER B 739 16.405 19.165 5.341 1.00 0.94 C ATOM 1819 O SER B 739 15.397 19.221 4.646 1.00 1.35 O ATOM 1820 CB SER B 739 17.801 17.058 5.102 1.00 0.96 C ATOM 1821 OG SER B 739 18.986 17.794 4.842 1.00 1.50 O ATOM 0 H SER B 739 15.292 16.582 5.248 1.00 0.81 H new ATOM 0 HA SER B 739 17.271 18.019 6.933 1.00 0.85 H new ATOM 0 HB2 SER B 739 18.061 16.124 5.600 1.00 0.96 H new ATOM 0 HB3 SER B 739 17.329 16.794 4.156 1.00 0.96 H new ATOM 0 HG SER B 739 19.761 17.196 4.894 1.00 1.50 H new ATOM 1827 N ASP B 740 17.202 20.206 5.573 1.00 0.89 N ATOM 1828 CA ASP B 740 16.836 21.592 5.258 1.00 0.97 C ATOM 1829 C ASP B 740 15.939 22.153 6.349 1.00 1.26 C ATOM 1830 O ASP B 740 14.732 21.840 6.367 1.00 1.80 O ATOM 1831 CB ASP B 740 16.184 21.760 3.876 1.00 1.09 C ATOM 1832 CG ASP B 740 15.571 23.134 3.699 1.00 1.56 C ATOM 1833 OD1 ASP B 740 16.327 24.129 3.614 1.00 1.95 O ATOM 1834 OD2 ASP B 740 14.330 23.230 3.637 1.00 1.95 O ATOM 1835 OXT ASP B 740 16.466 22.870 7.222 1.00 1.87 O ATOM 0 H ASP B 740 18.129 20.114 5.989 1.00 0.89 H new ATOM 0 HA ASP B 740 17.766 22.159 5.217 1.00 0.97 H new ATOM 0 HB2 ASP B 740 16.932 21.594 3.100 1.00 1.09 H new ATOM 0 HB3 ASP B 740 15.414 21.000 3.744 1.00 1.09 H new TER 1840 ASP B 740