USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 811 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 13 SER OG : rot -78:sc= 1.12 USER MOD Set 1.2: A 17 GLN : amide:sc= 0.914 K(o=2,f=1.1) USER MOD Set 2.1: A 1 SER N :NH3+ -178:sc= 0.0679 (180deg=0) USER MOD Set 2.2: A 44 SER OG : rot -25:sc= 1.16 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -40:sc= -0.0973! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -3.35! C(o=-7.4!,f=-3.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.2) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc=-0.00339 (180deg=-0.143) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 43 CYS SG : rot 70:sc= -2.85! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= -3.37! (180deg=-3.47!) USER MOD Single : A 50 MET CE :methyl -152:sc= -6.53! (180deg=-8.21!) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= -0.882 (180deg=-0.944) USER MOD Single : A 61 SER OG : rot 30:sc= 0.271 USER MOD Single : A 64 THR OG1 : rot 110:sc= -0.081 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.0109 X(o=0.011,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 154:sc= -4.25! (180deg=-7!) USER MOD Single : A 74 THR OG1 : rot -88:sc= 0.986 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 105:sc= 0.374 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 63:sc= 0.131 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00802 K(o=-0.008,f=-3.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 96 LYS NZ :NH3+ -103:sc= -0.48 (180deg=-4.07!) USER MOD Single : A 97 GLN : amide:sc= -9.64! C(o=-9.6!,f=-21!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -16:sc= -2.31! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.029 9.284 -3.151 1.00 0.00 N ATOM 2 CA SER A 1 6.890 10.081 -2.625 1.00 0.00 C ATOM 3 C SER A 1 5.604 9.265 -2.610 1.00 0.00 C ATOM 4 O SER A 1 4.971 9.074 -3.649 1.00 0.00 O ATOM 5 CB SER A 1 6.706 11.317 -3.507 1.00 0.00 C ATOM 6 OG SER A 1 7.380 12.439 -2.963 1.00 0.00 O ATOM 0 H1 SER A 1 8.897 9.855 -3.117 1.00 0.00 H new ATOM 0 H2 SER A 1 8.153 8.431 -2.570 1.00 0.00 H new ATOM 0 H3 SER A 1 7.834 9.008 -4.135 1.00 0.00 H new ATOM 0 HA SER A 1 7.111 10.375 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.085 11.112 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.644 11.541 -3.607 1.00 0.00 H new ATOM 0 HG SER A 1 7.248 13.215 -3.547 1.00 0.00 H new ATOM 11 N VAL A 2 5.208 8.801 -1.430 1.00 0.00 N ATOM 12 CA VAL A 2 3.983 8.029 -1.303 1.00 0.00 C ATOM 13 C VAL A 2 2.788 8.915 -1.643 1.00 0.00 C ATOM 14 O VAL A 2 2.780 10.105 -1.328 1.00 0.00 O ATOM 15 CB VAL A 2 3.831 7.432 0.115 1.00 0.00 C ATOM 16 CG1 VAL A 2 2.581 6.571 0.204 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.064 6.621 0.479 1.00 0.00 C ATOM 0 H VAL A 2 5.714 8.945 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 2 4.027 7.194 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 2 3.731 8.252 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.493 6.161 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.704 7.179 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.649 5.755 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.944 6.206 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.190 5.809 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.943 7.265 0.456 1.00 0.00 H new ATOM 27 N LYS A 3 1.796 8.343 -2.315 1.00 0.00 N ATOM 28 CA LYS A 3 0.620 9.102 -2.724 1.00 0.00 C ATOM 29 C LYS A 3 -0.540 8.904 -1.773 1.00 0.00 C ATOM 30 O LYS A 3 -0.792 7.799 -1.301 1.00 0.00 O ATOM 31 CB LYS A 3 0.192 8.714 -4.136 1.00 0.00 C ATOM 32 CG LYS A 3 0.076 9.911 -5.049 1.00 0.00 C ATOM 33 CD LYS A 3 -1.117 9.806 -5.989 1.00 0.00 C ATOM 34 CE LYS A 3 -1.355 11.110 -6.735 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.271 10.930 -8.211 1.00 0.00 N ATOM 0 H LYS A 3 1.782 7.360 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 3 0.900 10.155 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.914 8.011 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.767 8.198 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.016 10.816 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.990 10.009 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.948 9.002 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.008 9.543 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.337 11.504 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.620 11.849 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.439 11.842 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.326 10.578 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.990 10.244 -8.519 1.00 0.00 H new ATOM 49 N ILE A 4 -1.248 9.989 -1.505 1.00 0.00 N ATOM 50 CA ILE A 4 -2.396 9.937 -0.614 1.00 0.00 C ATOM 51 C ILE A 4 -3.685 10.205 -1.384 1.00 0.00 C ATOM 52 O ILE A 4 -3.916 11.304 -1.890 1.00 0.00 O ATOM 53 CB ILE A 4 -2.242 10.919 0.574 1.00 0.00 C ATOM 54 CG1 ILE A 4 -2.809 10.307 1.861 1.00 0.00 C ATOM 55 CG2 ILE A 4 -2.893 12.267 0.289 1.00 0.00 C ATOM 56 CD1 ILE A 4 -4.193 9.712 1.706 1.00 0.00 C ATOM 0 H ILE A 4 -1.050 10.913 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.448 8.931 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.175 11.096 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.129 9.531 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.840 11.076 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.761 12.924 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.427 12.718 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.957 12.125 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.521 9.301 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.889 10.488 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.166 8.919 0.959 1.00 0.00 H new ATOM 68 N VAL A 5 -4.509 9.178 -1.477 1.00 0.00 N ATOM 69 CA VAL A 5 -5.777 9.264 -2.190 1.00 0.00 C ATOM 70 C VAL A 5 -6.948 9.214 -1.205 1.00 0.00 C ATOM 71 O VAL A 5 -7.013 8.332 -0.349 1.00 0.00 O ATOM 72 CB VAL A 5 -5.887 8.139 -3.248 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.354 6.823 -2.700 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.315 7.967 -3.742 1.00 0.00 C ATOM 0 H VAL A 5 -4.323 8.264 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.817 10.219 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.274 8.436 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.442 6.049 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.306 6.942 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.931 6.534 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.350 7.168 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.962 7.712 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.658 8.897 -4.195 1.00 0.00 H new ATOM 84 N THR A 6 -7.850 10.191 -1.310 1.00 0.00 N ATOM 85 CA THR A 6 -8.993 10.279 -0.403 1.00 0.00 C ATOM 86 C THR A 6 -10.296 9.776 -1.024 1.00 0.00 C ATOM 87 O THR A 6 -11.338 9.791 -0.367 1.00 0.00 O ATOM 88 CB THR A 6 -9.205 11.726 0.077 1.00 0.00 C ATOM 89 OG1 THR A 6 -10.432 11.826 0.808 1.00 0.00 O ATOM 90 CG2 THR A 6 -9.232 12.688 -1.102 1.00 0.00 C ATOM 0 H THR A 6 -7.811 10.930 -2.012 1.00 0.00 H new ATOM 0 HA THR A 6 -8.748 9.631 0.438 1.00 0.00 H new ATOM 0 HB THR A 6 -8.373 11.995 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.119 11.280 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.383 13.705 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.285 12.631 -1.639 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.047 12.418 -1.773 1.00 0.00 H new ATOM 98 N SER A 7 -10.252 9.330 -2.275 1.00 0.00 N ATOM 99 CA SER A 7 -11.461 8.830 -2.930 1.00 0.00 C ATOM 100 C SER A 7 -11.387 7.321 -3.130 1.00 0.00 C ATOM 101 O SER A 7 -10.302 6.751 -3.242 1.00 0.00 O ATOM 102 CB SER A 7 -11.670 9.525 -4.279 1.00 0.00 C ATOM 103 OG SER A 7 -13.009 9.386 -4.720 1.00 0.00 O ATOM 0 H SER A 7 -9.410 9.303 -2.849 1.00 0.00 H new ATOM 0 HA SER A 7 -12.309 9.054 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.421 10.582 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.993 9.099 -5.020 1.00 0.00 H new ATOM 0 HG SER A 7 -13.118 9.839 -5.582 1.00 0.00 H new ATOM 109 N GLN A 8 -12.550 6.676 -3.171 1.00 0.00 N ATOM 110 CA GLN A 8 -12.610 5.228 -3.355 1.00 0.00 C ATOM 111 C GLN A 8 -12.248 4.839 -4.792 1.00 0.00 C ATOM 112 O GLN A 8 -11.409 3.967 -5.016 1.00 0.00 O ATOM 113 CB GLN A 8 -14.009 4.700 -2.976 1.00 0.00 C ATOM 114 CG GLN A 8 -14.514 3.538 -3.825 1.00 0.00 C ATOM 115 CD GLN A 8 -13.855 2.217 -3.477 1.00 0.00 C ATOM 116 OE1 GLN A 8 -12.539 2.232 -3.295 1.00 0.00 O flip ATOM 117 NE2 GLN A 8 -14.523 1.189 -3.371 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.459 7.130 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.876 4.767 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.991 4.386 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.722 5.521 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.592 3.444 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.336 3.760 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.532 1.219 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.068 0.307 -3.136 1.00 0.00 H new ATOM 126 N SER A 9 -12.882 5.490 -5.754 1.00 0.00 N ATOM 127 CA SER A 9 -12.628 5.218 -7.164 1.00 0.00 C ATOM 128 C SER A 9 -11.198 5.591 -7.528 1.00 0.00 C ATOM 129 O SER A 9 -10.537 4.884 -8.288 1.00 0.00 O ATOM 130 CB SER A 9 -13.612 5.991 -8.044 1.00 0.00 C ATOM 131 OG SER A 9 -14.820 5.269 -8.216 1.00 0.00 O ATOM 0 H SER A 9 -13.580 6.214 -5.585 1.00 0.00 H new ATOM 0 HA SER A 9 -12.767 4.151 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.825 6.960 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.160 6.186 -9.016 1.00 0.00 H new ATOM 0 HG SER A 9 -15.432 5.785 -8.781 1.00 0.00 H new ATOM 137 N GLU A 10 -10.717 6.698 -6.968 1.00 0.00 N ATOM 138 CA GLU A 10 -9.354 7.144 -7.226 1.00 0.00 C ATOM 139 C GLU A 10 -8.373 6.064 -6.792 1.00 0.00 C ATOM 140 O GLU A 10 -7.335 5.856 -7.419 1.00 0.00 O ATOM 141 CB GLU A 10 -9.066 8.449 -6.480 1.00 0.00 C ATOM 142 CG GLU A 10 -7.687 9.020 -6.766 1.00 0.00 C ATOM 143 CD GLU A 10 -7.578 10.489 -6.406 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.196 11.319 -7.106 1.00 0.00 O ATOM 145 OE2 GLU A 10 -6.876 10.810 -5.424 1.00 0.00 O ATOM 0 H GLU A 10 -11.248 7.298 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.238 7.327 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.820 9.188 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.163 8.275 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.941 8.456 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.456 8.891 -7.823 1.00 0.00 H new ATOM 152 N PHE A 11 -8.733 5.366 -5.720 1.00 0.00 N ATOM 153 CA PHE A 11 -7.916 4.282 -5.194 1.00 0.00 C ATOM 154 C PHE A 11 -7.944 3.108 -6.155 1.00 0.00 C ATOM 155 O PHE A 11 -6.904 2.586 -6.547 1.00 0.00 O ATOM 156 CB PHE A 11 -8.464 3.856 -3.827 1.00 0.00 C ATOM 157 CG PHE A 11 -8.115 2.454 -3.430 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.823 2.121 -3.071 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.089 1.473 -3.414 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.508 0.830 -2.703 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.782 0.181 -3.050 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.491 -0.141 -2.694 1.00 0.00 C ATOM 0 H PHE A 11 -9.592 5.535 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.886 4.619 -5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.085 4.541 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.549 3.959 -3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.053 2.878 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.103 1.723 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.496 0.579 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.551 -0.577 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.247 -1.153 -2.408 1.00 0.00 H new ATOM 172 N ASP A 12 -9.149 2.718 -6.536 1.00 0.00 N ATOM 173 CA ASP A 12 -9.347 1.614 -7.466 1.00 0.00 C ATOM 174 C ASP A 12 -8.752 1.943 -8.826 1.00 0.00 C ATOM 175 O ASP A 12 -8.277 1.063 -9.544 1.00 0.00 O ATOM 176 CB ASP A 12 -10.837 1.336 -7.629 1.00 0.00 C ATOM 177 CG ASP A 12 -11.487 0.864 -6.343 1.00 0.00 C ATOM 178 OD1 ASP A 12 -10.871 0.042 -5.633 1.00 0.00 O ATOM 179 OD2 ASP A 12 -12.613 1.316 -6.046 1.00 0.00 O ATOM 0 H ASP A 12 -10.013 3.153 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.847 0.734 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.336 2.242 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.979 0.581 -8.402 1.00 0.00 H new ATOM 184 N SER A 13 -8.796 3.221 -9.172 1.00 0.00 N ATOM 185 CA SER A 13 -8.279 3.690 -10.449 1.00 0.00 C ATOM 186 C SER A 13 -6.785 3.448 -10.551 1.00 0.00 C ATOM 187 O SER A 13 -6.290 2.967 -11.570 1.00 0.00 O ATOM 188 CB SER A 13 -8.571 5.179 -10.623 1.00 0.00 C ATOM 189 OG SER A 13 -8.244 5.617 -11.930 1.00 0.00 O ATOM 0 H SER A 13 -9.187 3.956 -8.582 1.00 0.00 H new ATOM 0 HA SER A 13 -8.777 3.130 -11.240 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.626 5.371 -10.426 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.001 5.752 -9.892 1.00 0.00 H new ATOM 0 HG SER A 13 -7.273 5.730 -12.004 1.00 0.00 H new ATOM 195 N ILE A 14 -6.071 3.782 -9.488 1.00 0.00 N ATOM 196 CA ILE A 14 -4.630 3.596 -9.460 1.00 0.00 C ATOM 197 C ILE A 14 -4.273 2.129 -9.654 1.00 0.00 C ATOM 198 O ILE A 14 -3.277 1.789 -10.294 1.00 0.00 O ATOM 199 CB ILE A 14 -4.051 4.079 -8.118 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.203 5.595 -7.990 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.589 3.670 -7.978 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.725 6.035 -6.642 1.00 0.00 C ATOM 0 H ILE A 14 -6.464 4.182 -8.636 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.203 4.182 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.611 3.605 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.236 6.066 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.879 5.952 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.202 4.023 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.509 2.584 -8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.009 4.111 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.808 7.122 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.706 5.593 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.038 5.709 -5.861 1.00 0.00 H new ATOM 214 N ILE A 15 -5.088 1.278 -9.067 1.00 0.00 N ATOM 215 CA ILE A 15 -4.880 -0.167 -9.124 1.00 0.00 C ATOM 216 C ILE A 15 -4.917 -0.711 -10.559 1.00 0.00 C ATOM 217 O ILE A 15 -4.130 -1.585 -10.922 1.00 0.00 O ATOM 218 CB ILE A 15 -5.945 -0.902 -8.279 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.136 -0.194 -6.952 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.536 -2.340 -8.017 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.862 -0.077 -6.161 1.00 0.00 C ATOM 0 H ILE A 15 -5.913 1.560 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.885 -0.352 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.879 -0.897 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.538 0.803 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.876 -0.734 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.303 -2.834 -7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.421 -2.864 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.590 -2.356 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.063 0.439 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.471 -1.073 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.128 0.488 -6.735 1.00 0.00 H new ATOM 233 N SER A 16 -5.866 -0.217 -11.351 1.00 0.00 N ATOM 234 CA SER A 16 -6.060 -0.676 -12.737 1.00 0.00 C ATOM 235 C SER A 16 -5.198 0.048 -13.785 1.00 0.00 C ATOM 236 O SER A 16 -4.967 -0.484 -14.871 1.00 0.00 O ATOM 237 CB SER A 16 -7.536 -0.539 -13.117 1.00 0.00 C ATOM 238 OG SER A 16 -8.166 -1.807 -13.182 1.00 0.00 O ATOM 0 H SER A 16 -6.521 0.508 -11.059 1.00 0.00 H new ATOM 0 HA SER A 16 -5.735 -1.716 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.047 0.087 -12.385 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.622 -0.037 -14.081 1.00 0.00 H new ATOM 0 HG SER A 16 -9.108 -1.692 -13.425 1.00 0.00 H new ATOM 244 N GLN A 17 -4.779 1.271 -13.493 1.00 0.00 N ATOM 245 CA GLN A 17 -4.007 2.075 -14.458 1.00 0.00 C ATOM 246 C GLN A 17 -2.507 1.785 -14.436 1.00 0.00 C ATOM 247 O GLN A 17 -1.717 2.551 -14.988 1.00 0.00 O ATOM 248 CB GLN A 17 -4.239 3.566 -14.211 1.00 0.00 C ATOM 249 CG GLN A 17 -5.417 4.132 -14.988 1.00 0.00 C ATOM 250 CD GLN A 17 -6.461 4.766 -14.091 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.144 5.600 -13.242 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.716 4.373 -14.276 1.00 0.00 N ATOM 0 H GLN A 17 -4.954 1.736 -12.602 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.371 1.790 -15.445 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.404 3.729 -13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.337 4.116 -14.481 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.055 4.875 -15.698 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.880 3.335 -15.570 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.933 3.679 -14.991 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.463 4.765 -13.703 1.00 0.00 H new ATOM 261 N ASN A 18 -2.112 0.697 -13.799 1.00 0.00 N ATOM 262 CA ASN A 18 -0.700 0.340 -13.713 1.00 0.00 C ATOM 263 C ASN A 18 -0.511 -1.172 -13.612 1.00 0.00 C ATOM 264 O ASN A 18 -1.396 -1.891 -13.149 1.00 0.00 O ATOM 265 CB ASN A 18 -0.064 1.033 -12.506 1.00 0.00 C ATOM 266 CG ASN A 18 -0.399 2.510 -12.443 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.405 3.358 -12.833 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.590 2.827 -11.951 1.00 0.00 N ATOM 0 H ASN A 18 -2.744 0.045 -13.334 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.208 0.676 -14.626 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.404 0.547 -11.591 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.018 0.910 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.870 3.805 -11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.225 2.092 -11.639 1.00 0.00 H new ATOM 275 N GLU A 19 0.656 -1.644 -14.048 1.00 0.00 N ATOM 276 CA GLU A 19 0.975 -3.069 -14.008 1.00 0.00 C ATOM 277 C GLU A 19 1.128 -3.549 -12.577 1.00 0.00 C ATOM 278 O GLU A 19 0.547 -4.564 -12.201 1.00 0.00 O ATOM 279 CB GLU A 19 2.254 -3.352 -14.797 1.00 0.00 C ATOM 280 CG GLU A 19 2.261 -4.712 -15.476 1.00 0.00 C ATOM 281 CD GLU A 19 2.517 -4.620 -16.968 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.695 -4.487 -17.362 1.00 0.00 O ATOM 283 OE2 GLU A 19 1.539 -4.680 -17.743 1.00 0.00 O ATOM 0 H GLU A 19 1.397 -1.059 -14.434 1.00 0.00 H new ATOM 0 HA GLU A 19 0.150 -3.613 -14.467 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.384 -2.577 -15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.109 -3.287 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.027 -5.338 -15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.303 -5.204 -15.305 1.00 0.00 H new ATOM 290 N LEU A 20 1.895 -2.822 -11.769 1.00 0.00 N ATOM 291 CA LEU A 20 2.079 -3.205 -10.384 1.00 0.00 C ATOM 292 C LEU A 20 1.781 -2.023 -9.492 1.00 0.00 C ATOM 293 O LEU A 20 2.281 -0.921 -9.720 1.00 0.00 O ATOM 294 CB LEU A 20 3.508 -3.696 -10.153 1.00 0.00 C ATOM 295 CG LEU A 20 3.716 -4.754 -9.054 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.449 -5.548 -8.765 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.847 -5.693 -9.449 1.00 0.00 C ATOM 0 H LEU A 20 2.391 -1.976 -12.050 1.00 0.00 H new ATOM 0 HA LEU A 20 1.395 -4.019 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.881 -4.105 -11.092 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.128 -2.832 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 20 3.978 -4.226 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.649 -6.281 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.662 -4.870 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.128 -6.063 -9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.990 -6.440 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.596 -6.191 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.766 -5.122 -9.577 1.00 0.00 H new ATOM 309 N VAL A 21 0.962 -2.243 -8.480 1.00 0.00 N ATOM 310 CA VAL A 21 0.613 -1.166 -7.576 1.00 0.00 C ATOM 311 C VAL A 21 0.669 -1.615 -6.130 1.00 0.00 C ATOM 312 O VAL A 21 -0.003 -2.567 -5.737 1.00 0.00 O ATOM 313 CB VAL A 21 -0.792 -0.579 -7.878 1.00 0.00 C ATOM 314 CG1 VAL A 21 -1.101 0.590 -6.952 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.884 -0.152 -9.334 1.00 0.00 C ATOM 0 H VAL A 21 0.533 -3.143 -8.266 1.00 0.00 H new ATOM 0 HA VAL A 21 1.355 -0.384 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.535 -1.356 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.090 0.985 -7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.078 0.250 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.356 1.373 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.875 0.258 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.130 0.608 -9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.714 -1.015 -9.978 1.00 0.00 H new ATOM 325 N ILE A 22 1.448 -0.901 -5.333 1.00 0.00 N ATOM 326 CA ILE A 22 1.553 -1.214 -3.920 1.00 0.00 C ATOM 327 C ILE A 22 0.913 -0.087 -3.139 1.00 0.00 C ATOM 328 O ILE A 22 1.241 1.086 -3.317 1.00 0.00 O ATOM 329 CB ILE A 22 3.018 -1.413 -3.471 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.134 -1.411 -1.940 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.914 -0.347 -4.082 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.802 -2.649 -1.382 1.00 0.00 C ATOM 0 H ILE A 22 2.012 -0.108 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 22 1.040 -2.157 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 22 3.350 -2.388 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.698 -0.532 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.137 -1.320 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.942 -0.504 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.866 -0.411 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.577 0.639 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.849 -2.578 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.227 -3.531 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.812 -2.730 -1.785 1.00 0.00 H new ATOM 344 N VAL A 23 -0.029 -0.462 -2.300 1.00 0.00 N ATOM 345 CA VAL A 23 -0.766 0.496 -1.504 1.00 0.00 C ATOM 346 C VAL A 23 -0.825 0.052 -0.062 1.00 0.00 C ATOM 347 O VAL A 23 -0.992 -1.132 0.233 1.00 0.00 O ATOM 348 CB VAL A 23 -2.197 0.689 -2.053 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.856 -0.656 -2.304 1.00 0.00 C ATOM 350 CG2 VAL A 23 -3.045 1.538 -1.113 1.00 0.00 C ATOM 0 H VAL A 23 -0.304 -1.433 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.242 1.450 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.122 1.222 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.863 -0.501 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.271 -1.218 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.908 -1.216 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.045 1.654 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.111 1.049 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.586 2.519 -0.995 1.00 0.00 H new ATOM 360 N ASP A 24 -0.681 1.007 0.832 1.00 0.00 N ATOM 361 CA ASP A 24 -0.712 0.714 2.244 1.00 0.00 C ATOM 362 C ASP A 24 -2.046 1.084 2.851 1.00 0.00 C ATOM 363 O ASP A 24 -2.332 2.261 3.069 1.00 0.00 O ATOM 364 CB ASP A 24 0.396 1.469 2.975 1.00 0.00 C ATOM 365 CG ASP A 24 0.345 2.962 2.715 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.330 3.357 1.530 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.322 3.735 3.695 1.00 0.00 O ATOM 0 H ASP A 24 -0.542 1.991 0.604 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.558 -0.359 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.311 1.286 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.365 1.081 2.661 1.00 0.00 H new ATOM 372 N PHE A 25 -2.831 0.077 3.192 1.00 0.00 N ATOM 373 CA PHE A 25 -4.088 0.326 3.854 1.00 0.00 C ATOM 374 C PHE A 25 -3.704 0.462 5.312 1.00 0.00 C ATOM 375 O PHE A 25 -3.173 -0.475 5.909 1.00 0.00 O ATOM 376 CB PHE A 25 -5.057 -0.838 3.604 1.00 0.00 C ATOM 377 CG PHE A 25 -5.198 -1.185 2.139 1.00 0.00 C ATOM 378 CD1 PHE A 25 -4.228 -1.936 1.486 1.00 0.00 C ATOM 379 CD2 PHE A 25 -6.293 -0.747 1.411 1.00 0.00 C ATOM 380 CE1 PHE A 25 -4.349 -2.241 0.138 1.00 0.00 C ATOM 381 CE2 PHE A 25 -6.422 -1.051 0.065 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.448 -1.799 -0.576 1.00 0.00 C ATOM 0 H PHE A 25 -2.620 -0.906 3.022 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.609 1.213 3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.709 -1.716 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.037 -0.581 4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.367 -2.287 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.057 -0.160 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.585 -2.824 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.284 -0.704 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.546 -2.035 -1.625 1.00 0.00 H new ATOM 392 N PHE A 26 -3.852 1.667 5.846 1.00 0.00 N ATOM 393 CA PHE A 26 -3.384 1.943 7.193 1.00 0.00 C ATOM 394 C PHE A 26 -4.402 2.936 7.967 1.00 0.00 C ATOM 395 O PHE A 26 -5.373 3.346 7.329 1.00 0.00 O ATOM 396 CB PHE A 26 -2.011 2.638 7.130 1.00 0.00 C ATOM 397 CG PHE A 26 -2.122 4.064 6.632 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.644 4.324 5.371 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.752 5.144 7.428 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.790 5.618 4.910 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.892 6.441 6.966 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.411 6.677 5.706 1.00 0.00 C ATOM 0 H PHE A 26 -4.287 2.459 5.372 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.319 0.994 7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.556 2.634 8.121 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.349 2.074 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.941 3.500 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.352 4.968 8.416 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.200 5.799 3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.595 7.271 7.591 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.519 7.690 5.347 1.00 0.00 H new ATOM 412 N ALA A 27 -4.203 3.408 9.299 1.00 0.00 N ATOM 413 CA ALA A 27 -5.124 4.348 9.922 1.00 0.00 C ATOM 414 C ALA A 27 -4.262 5.308 10.811 1.00 0.00 C ATOM 415 O ALA A 27 -3.274 4.892 11.414 1.00 0.00 O ATOM 416 CB ALA A 27 -6.258 3.561 10.659 1.00 0.00 C ATOM 0 H ALA A 27 -3.422 3.127 9.892 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.659 4.974 9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.947 4.266 11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.800 2.945 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.819 2.923 11.426 1.00 0.00 H new ATOM 422 N GLU A 28 -4.593 6.601 10.766 1.00 0.00 N ATOM 423 CA GLU A 28 -3.844 7.750 11.444 1.00 0.00 C ATOM 424 C GLU A 28 -3.499 7.768 13.080 1.00 0.00 C ATOM 425 O GLU A 28 -2.950 8.791 13.486 1.00 0.00 O ATOM 426 CB GLU A 28 -4.759 8.960 11.284 1.00 0.00 C ATOM 427 CG GLU A 28 -4.006 10.253 11.461 1.00 0.00 C ATOM 428 CD GLU A 28 -4.806 11.308 12.201 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.041 11.152 12.307 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.197 12.290 12.675 1.00 0.00 O ATOM 0 H GLU A 28 -5.410 6.925 10.249 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.866 7.691 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.221 8.940 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.566 8.906 12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.082 10.057 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.723 10.640 10.482 1.00 0.00 H new ATOM 437 N TRP A 29 -3.863 6.796 14.075 1.00 0.00 N ATOM 438 CA TRP A 29 -3.622 7.004 15.574 1.00 0.00 C ATOM 439 C TRP A 29 -2.563 5.915 16.075 1.00 0.00 C ATOM 440 O TRP A 29 -2.358 5.847 17.287 1.00 0.00 O ATOM 441 CB TRP A 29 -5.143 6.907 16.234 1.00 0.00 C ATOM 442 CG TRP A 29 -6.215 5.839 15.685 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.436 5.935 14.825 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.236 4.459 16.122 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.932 4.668 14.616 1.00 0.00 N ATOM 446 CE2 TRP A 29 -7.248 3.771 15.390 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.443 3.711 17.014 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.462 2.401 15.523 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.682 2.355 17.150 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.670 1.712 16.397 1.00 0.00 C ATOM 0 H TRP A 29 -4.305 5.905 13.850 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.175 7.955 15.865 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.018 6.715 17.300 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.597 7.894 16.139 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.859 6.848 14.433 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.694 4.433 13.980 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.660 4.189 17.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.230 1.899 14.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.094 1.782 17.851 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.810 0.647 16.509 1.00 0.00 H new ATOM 461 N CYS A 30 -1.886 4.996 15.195 1.00 0.00 N ATOM 462 CA CYS A 30 -0.974 4.003 15.751 1.00 0.00 C ATOM 463 C CYS A 30 0.499 4.360 15.540 1.00 0.00 C ATOM 464 O CYS A 30 0.849 5.137 14.652 1.00 0.00 O ATOM 465 CB CYS A 30 -1.264 2.635 15.106 1.00 0.00 C ATOM 466 SG CYS A 30 -1.593 2.662 13.299 1.00 0.00 S ATOM 0 H CYS A 30 -1.989 4.975 14.180 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.145 3.973 16.827 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.414 1.978 15.292 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.125 2.192 15.607 1.00 0.00 H new ATOM 471 N GLY A 31 1.359 3.761 16.361 1.00 0.00 N ATOM 472 CA GLY A 31 2.788 3.989 16.241 1.00 0.00 C ATOM 473 C GLY A 31 3.389 3.380 14.976 1.00 0.00 C ATOM 474 O GLY A 31 4.117 4.059 14.252 1.00 0.00 O ATOM 0 H GLY A 31 1.090 3.121 17.108 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.980 5.062 16.247 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.291 3.570 17.113 1.00 0.00 H new ATOM 478 N PRO A 32 3.101 2.089 14.682 1.00 0.00 N ATOM 479 CA PRO A 32 3.634 1.388 13.494 1.00 0.00 C ATOM 480 C PRO A 32 3.252 2.038 12.177 1.00 0.00 C ATOM 481 O PRO A 32 4.103 2.214 11.304 1.00 0.00 O ATOM 482 CB PRO A 32 3.000 -0.001 13.570 1.00 0.00 C ATOM 483 CG PRO A 32 1.833 0.165 14.484 1.00 0.00 C ATOM 484 CD PRO A 32 2.252 1.195 15.486 1.00 0.00 C ATOM 0 HA PRO A 32 4.724 1.395 13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.686 -0.347 12.585 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.704 -0.737 13.957 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.948 0.488 13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.580 -0.776 14.972 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.397 1.720 15.911 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.800 0.753 16.318 1.00 0.00 H new ATOM 492 N CYS A 33 1.975 2.381 12.014 1.00 0.00 N ATOM 493 CA CYS A 33 1.537 2.987 10.761 1.00 0.00 C ATOM 494 C CYS A 33 2.468 4.138 10.367 1.00 0.00 C ATOM 495 O CYS A 33 3.006 4.162 9.260 1.00 0.00 O ATOM 496 CB CYS A 33 0.089 3.481 10.875 1.00 0.00 C ATOM 497 SG CYS A 33 -0.381 4.105 12.526 1.00 0.00 S ATOM 0 H CYS A 33 1.244 2.254 12.714 1.00 0.00 H new ATOM 0 HA CYS A 33 1.578 2.227 9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.068 4.274 10.144 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.581 2.664 10.607 1.00 0.00 H new ATOM 502 N LYS A 34 2.676 5.070 11.288 1.00 0.00 N ATOM 503 CA LYS A 34 3.572 6.203 11.053 1.00 0.00 C ATOM 504 C LYS A 34 5.035 5.754 10.942 1.00 0.00 C ATOM 505 O LYS A 34 5.829 6.344 10.209 1.00 0.00 O ATOM 506 CB LYS A 34 3.432 7.229 12.179 1.00 0.00 C ATOM 507 CG LYS A 34 2.075 7.915 12.215 1.00 0.00 C ATOM 508 CD LYS A 34 2.209 9.413 12.443 1.00 0.00 C ATOM 509 CE LYS A 34 2.938 9.718 13.743 1.00 0.00 C ATOM 510 NZ LYS A 34 2.252 9.119 14.923 1.00 0.00 N ATOM 0 H LYS A 34 2.237 5.067 12.208 1.00 0.00 H new ATOM 0 HA LYS A 34 3.285 6.658 10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.604 6.733 13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.209 7.985 12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.551 7.735 11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.467 7.479 13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.748 9.862 11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.219 9.868 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.958 9.337 13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.008 10.798 13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.679 9.487 15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.242 9.366 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.356 8.085 14.897 1.00 0.00 H new ATOM 524 N ARG A 35 5.379 4.727 11.716 1.00 0.00 N ATOM 525 CA ARG A 35 6.743 4.191 11.780 1.00 0.00 C ATOM 526 C ARG A 35 7.153 3.442 10.516 1.00 0.00 C ATOM 527 O ARG A 35 8.338 3.341 10.207 1.00 0.00 O ATOM 528 CB ARG A 35 6.886 3.265 12.991 1.00 0.00 C ATOM 529 CG ARG A 35 7.840 3.794 14.051 1.00 0.00 C ATOM 530 CD ARG A 35 9.018 2.855 14.262 1.00 0.00 C ATOM 531 NE ARG A 35 10.006 3.413 15.183 1.00 0.00 N ATOM 532 CZ ARG A 35 10.851 4.390 14.860 1.00 0.00 C ATOM 533 NH1 ARG A 35 10.832 4.918 13.643 1.00 0.00 N ATOM 534 NH2 ARG A 35 11.718 4.839 15.757 1.00 0.00 N ATOM 0 H ARG A 35 4.718 4.239 12.321 1.00 0.00 H new ATOM 0 HA ARG A 35 7.409 5.048 11.876 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.904 3.113 13.440 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.236 2.290 12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.206 4.777 13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.304 3.924 14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.657 1.903 14.651 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.493 2.648 13.303 1.00 0.00 H new ATOM 0 HE ARG A 35 10.051 3.032 16.128 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.168 4.576 12.949 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.482 5.666 13.402 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.737 4.436 16.694 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.366 5.587 15.510 1.00 0.00 H new ATOM 548 N ILE A 36 6.182 2.898 9.803 1.00 0.00 N ATOM 549 CA ILE A 36 6.463 2.144 8.598 1.00 0.00 C ATOM 550 C ILE A 36 6.636 3.076 7.400 1.00 0.00 C ATOM 551 O ILE A 36 7.271 2.718 6.409 1.00 0.00 O ATOM 552 CB ILE A 36 5.343 1.127 8.298 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.692 0.283 7.067 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.011 1.831 8.099 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.095 -0.281 7.086 1.00 0.00 C ATOM 0 H ILE A 36 5.192 2.966 10.039 1.00 0.00 H new ATOM 0 HA ILE A 36 7.393 1.601 8.768 1.00 0.00 H new ATOM 0 HB ILE A 36 5.253 0.462 9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.982 -0.540 6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.569 0.895 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.237 1.093 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.752 2.381 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.088 2.525 7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.264 -0.865 6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.815 0.536 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.218 -0.921 7.960 1.00 0.00 H new ATOM 567 N ALA A 37 6.065 4.275 7.505 1.00 0.00 N ATOM 568 CA ALA A 37 6.142 5.272 6.442 1.00 0.00 C ATOM 569 C ALA A 37 7.587 5.655 6.095 1.00 0.00 C ATOM 570 O ALA A 37 7.945 5.713 4.918 1.00 0.00 O ATOM 571 CB ALA A 37 5.355 6.513 6.836 1.00 0.00 C ATOM 0 H ALA A 37 5.540 4.580 8.324 1.00 0.00 H new ATOM 0 HA ALA A 37 5.706 4.824 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.417 7.252 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.312 6.245 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.771 6.932 7.752 1.00 0.00 H new ATOM 577 N PRO A 38 8.441 5.938 7.103 1.00 0.00 N ATOM 578 CA PRO A 38 9.836 6.331 6.865 1.00 0.00 C ATOM 579 C PRO A 38 10.570 5.339 5.972 1.00 0.00 C ATOM 580 O PRO A 38 11.256 5.736 5.031 1.00 0.00 O ATOM 581 CB PRO A 38 10.462 6.363 8.268 1.00 0.00 C ATOM 582 CG PRO A 38 9.473 5.698 9.163 1.00 0.00 C ATOM 583 CD PRO A 38 8.127 5.921 8.536 1.00 0.00 C ATOM 0 HA PRO A 38 9.900 7.287 6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.418 5.840 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.654 7.387 8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.687 4.633 9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.510 6.121 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.426 5.126 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.677 6.858 8.864 1.00 0.00 H new ATOM 591 N PHE A 39 10.412 4.049 6.249 1.00 0.00 N ATOM 592 CA PHE A 39 11.055 3.029 5.433 1.00 0.00 C ATOM 593 C PHE A 39 10.311 2.874 4.120 1.00 0.00 C ATOM 594 O PHE A 39 10.908 2.624 3.073 1.00 0.00 O ATOM 595 CB PHE A 39 11.106 1.690 6.149 1.00 0.00 C ATOM 596 CG PHE A 39 11.785 0.637 5.325 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.162 0.643 5.173 1.00 0.00 C ATOM 598 CD2 PHE A 39 11.046 -0.337 4.674 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.787 -0.303 4.386 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.667 -1.286 3.894 1.00 0.00 C ATOM 601 CZ PHE A 39 13.036 -1.269 3.748 1.00 0.00 C ATOM 0 H PHE A 39 9.852 3.690 7.022 1.00 0.00 H new ATOM 0 HA PHE A 39 12.079 3.351 5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.633 1.805 7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.092 1.367 6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.752 1.395 5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.971 -0.352 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.861 -0.287 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.080 -2.044 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.522 -2.012 3.134 1.00 0.00 H new ATOM 611 N TYR A 40 9.002 3.048 4.190 1.00 0.00 N ATOM 612 CA TYR A 40 8.153 2.953 3.015 1.00 0.00 C ATOM 613 C TYR A 40 8.583 4.007 2.005 1.00 0.00 C ATOM 614 O TYR A 40 8.531 3.786 0.795 1.00 0.00 O ATOM 615 CB TYR A 40 6.687 3.170 3.410 1.00 0.00 C ATOM 616 CG TYR A 40 5.679 2.421 2.562 1.00 0.00 C ATOM 617 CD1 TYR A 40 6.002 1.222 1.933 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.389 2.915 2.403 1.00 0.00 C ATOM 619 CE1 TYR A 40 5.069 0.542 1.173 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.454 2.240 1.644 1.00 0.00 C ATOM 621 CZ TYR A 40 3.798 1.055 1.032 1.00 0.00 C ATOM 622 OH TYR A 40 2.867 0.380 0.275 1.00 0.00 O ATOM 0 H TYR A 40 8.502 3.257 5.054 1.00 0.00 H new ATOM 0 HA TYR A 40 8.251 1.962 2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.558 2.871 4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.465 4.236 3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.997 0.817 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.114 3.843 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.335 -0.387 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.457 2.639 1.531 1.00 0.00 H new ATOM 0 HH TYR A 40 2.021 0.875 0.278 1.00 0.00 H new ATOM 632 N GLU A 41 9.019 5.154 2.518 1.00 0.00 N ATOM 633 CA GLU A 41 9.472 6.249 1.665 1.00 0.00 C ATOM 634 C GLU A 41 10.749 5.862 0.913 1.00 0.00 C ATOM 635 O GLU A 41 10.900 6.173 -0.267 1.00 0.00 O ATOM 636 CB GLU A 41 9.690 7.522 2.498 1.00 0.00 C ATOM 637 CG GLU A 41 11.141 7.790 2.877 1.00 0.00 C ATOM 638 CD GLU A 41 11.273 8.784 4.014 1.00 0.00 C ATOM 639 OE1 GLU A 41 11.207 10.003 3.747 1.00 0.00 O ATOM 640 OE2 GLU A 41 11.443 8.345 5.170 1.00 0.00 O ATOM 0 H GLU A 41 9.068 5.349 3.518 1.00 0.00 H new ATOM 0 HA GLU A 41 8.697 6.452 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.311 8.377 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.097 7.450 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.617 6.852 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.676 8.167 2.006 1.00 0.00 H new ATOM 647 N GLU A 42 11.660 5.176 1.600 1.00 0.00 N ATOM 648 CA GLU A 42 12.912 4.745 0.983 1.00 0.00 C ATOM 649 C GLU A 42 12.624 3.771 -0.158 1.00 0.00 C ATOM 650 O GLU A 42 13.214 3.849 -1.235 1.00 0.00 O ATOM 651 CB GLU A 42 13.817 4.081 2.022 1.00 0.00 C ATOM 652 CG GLU A 42 14.211 5.003 3.164 1.00 0.00 C ATOM 653 CD GLU A 42 15.007 4.291 4.241 1.00 0.00 C ATOM 654 OE1 GLU A 42 14.713 3.107 4.511 1.00 0.00 O ATOM 655 OE2 GLU A 42 15.923 4.917 4.814 1.00 0.00 O ATOM 0 H GLU A 42 11.556 4.908 2.579 1.00 0.00 H new ATOM 0 HA GLU A 42 13.424 5.620 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.308 3.208 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.720 3.721 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.800 5.832 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.312 5.432 3.606 1.00 0.00 H new ATOM 662 N CYS A 43 11.697 2.860 0.104 1.00 0.00 N ATOM 663 CA CYS A 43 11.271 1.851 -0.850 1.00 0.00 C ATOM 664 C CYS A 43 10.653 2.489 -2.097 1.00 0.00 C ATOM 665 O CYS A 43 10.777 1.968 -3.202 1.00 0.00 O ATOM 666 CB CYS A 43 10.269 0.938 -0.134 1.00 0.00 C ATOM 667 SG CYS A 43 10.910 0.238 1.399 1.00 0.00 S ATOM 0 H CYS A 43 11.213 2.802 1.000 1.00 0.00 H new ATOM 0 HA CYS A 43 12.127 1.273 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.364 1.504 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.984 0.127 -0.804 1.00 0.00 H new ATOM 0 HG CYS A 43 11.029 1.178 2.289 1.00 0.00 H new ATOM 673 N SER A 44 9.970 3.607 -1.904 1.00 0.00 N ATOM 674 CA SER A 44 9.302 4.309 -2.999 1.00 0.00 C ATOM 675 C SER A 44 10.264 4.993 -3.986 1.00 0.00 C ATOM 676 O SER A 44 9.876 5.280 -5.119 1.00 0.00 O ATOM 677 CB SER A 44 8.346 5.351 -2.422 1.00 0.00 C ATOM 678 OG SER A 44 9.055 6.466 -1.912 1.00 0.00 O ATOM 0 H SER A 44 9.861 4.054 -0.993 1.00 0.00 H new ATOM 0 HA SER A 44 8.766 3.550 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.652 5.680 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.749 4.902 -1.628 1.00 0.00 H new ATOM 0 HG SER A 44 9.963 6.192 -1.666 1.00 0.00 H new ATOM 684 N LYS A 45 11.490 5.299 -3.562 1.00 0.00 N ATOM 685 CA LYS A 45 12.436 6.001 -4.446 1.00 0.00 C ATOM 686 C LYS A 45 13.394 5.073 -5.213 1.00 0.00 C ATOM 687 O LYS A 45 13.928 5.465 -6.250 1.00 0.00 O ATOM 688 CB LYS A 45 13.241 7.056 -3.669 1.00 0.00 C ATOM 689 CG LYS A 45 13.516 6.715 -2.211 1.00 0.00 C ATOM 690 CD LYS A 45 14.552 7.652 -1.610 1.00 0.00 C ATOM 691 CE LYS A 45 15.547 6.901 -0.740 1.00 0.00 C ATOM 692 NZ LYS A 45 16.781 7.695 -0.494 1.00 0.00 N ATOM 0 H LYS A 45 11.851 5.080 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 45 11.813 6.488 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.194 7.209 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.703 8.003 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.590 6.779 -1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.867 5.686 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.084 8.168 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.051 8.416 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.080 6.652 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.811 5.959 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.433 7.147 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.241 7.911 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.533 8.582 -0.012 1.00 0.00 H new ATOM 706 N THR A 46 13.610 3.857 -4.725 1.00 0.00 N ATOM 707 CA THR A 46 14.502 2.909 -5.397 1.00 0.00 C ATOM 708 C THR A 46 13.684 1.912 -6.216 1.00 0.00 C ATOM 709 O THR A 46 14.100 1.443 -7.275 1.00 0.00 O ATOM 710 CB THR A 46 15.375 2.158 -4.363 1.00 0.00 C ATOM 711 OG1 THR A 46 16.570 2.903 -4.102 1.00 0.00 O ATOM 712 CG2 THR A 46 15.745 0.760 -4.841 1.00 0.00 C ATOM 0 H THR A 46 13.183 3.502 -3.870 1.00 0.00 H new ATOM 0 HA THR A 46 15.159 3.465 -6.066 1.00 0.00 H new ATOM 0 HB THR A 46 14.789 2.058 -3.450 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.118 2.424 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.358 0.268 -4.086 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.837 0.180 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.305 0.831 -5.773 1.00 0.00 H new ATOM 720 N TYR A 47 12.518 1.611 -5.682 1.00 0.00 N ATOM 721 CA TYR A 47 11.561 0.687 -6.265 1.00 0.00 C ATOM 722 C TYR A 47 10.611 1.395 -7.242 1.00 0.00 C ATOM 723 O TYR A 47 9.496 0.926 -7.470 1.00 0.00 O ATOM 724 CB TYR A 47 10.759 -0.034 -5.188 1.00 0.00 C ATOM 725 CG TYR A 47 11.606 -0.610 -4.077 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.862 -1.147 -4.326 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.142 -0.607 -2.779 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.629 -1.667 -3.300 1.00 0.00 C ATOM 729 CE2 TYR A 47 11.899 -1.119 -1.740 1.00 0.00 C ATOM 730 CZ TYR A 47 13.143 -1.649 -2.007 1.00 0.00 C ATOM 731 OH TYR A 47 13.904 -2.160 -0.982 1.00 0.00 O ATOM 0 H TYR A 47 12.198 2.015 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 47 12.136 -0.052 -6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.038 0.662 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.188 -0.839 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.245 -1.159 -5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.166 -0.196 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.603 -2.085 -3.508 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.519 -1.103 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 47 13.417 -2.069 -0.136 1.00 0.00 H new ATOM 741 N THR A 48 10.989 2.592 -7.695 1.00 0.00 N ATOM 742 CA THR A 48 10.101 3.440 -8.500 1.00 0.00 C ATOM 743 C THR A 48 9.478 2.779 -9.742 1.00 0.00 C ATOM 744 O THR A 48 8.683 3.423 -10.427 1.00 0.00 O ATOM 745 CB THR A 48 10.851 4.701 -8.966 1.00 0.00 C ATOM 746 OG1 THR A 48 12.032 4.331 -9.687 1.00 0.00 O ATOM 747 CG2 THR A 48 11.228 5.576 -7.781 1.00 0.00 C ATOM 0 H THR A 48 11.907 2.999 -7.518 1.00 0.00 H new ATOM 0 HA THR A 48 9.275 3.666 -7.825 1.00 0.00 H new ATOM 0 HB THR A 48 10.189 5.269 -9.620 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.502 5.139 -9.981 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.757 6.461 -8.136 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.325 5.881 -7.252 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.873 5.015 -7.105 1.00 0.00 H new ATOM 755 N LYS A 49 9.739 1.498 -10.002 1.00 0.00 N ATOM 756 CA LYS A 49 9.083 0.826 -11.110 1.00 0.00 C ATOM 757 C LYS A 49 7.704 0.304 -10.648 1.00 0.00 C ATOM 758 O LYS A 49 6.977 -0.344 -11.401 1.00 0.00 O ATOM 759 CB LYS A 49 9.957 -0.309 -11.627 1.00 0.00 C ATOM 760 CG LYS A 49 11.431 0.078 -11.758 1.00 0.00 C ATOM 761 CD LYS A 49 12.282 -0.195 -10.513 1.00 0.00 C ATOM 762 CE LYS A 49 11.677 -1.230 -9.576 1.00 0.00 C ATOM 763 NZ LYS A 49 12.618 -1.588 -8.479 1.00 0.00 N ATOM 0 H LYS A 49 10.388 0.919 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 49 8.932 1.529 -11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.870 -1.162 -10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.585 -0.632 -12.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.861 -0.464 -12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.493 1.140 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.270 -0.534 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.423 0.738 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.752 -0.841 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.417 -2.125 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.828 -2.606 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.500 -1.047 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.184 -1.361 -7.562 1.00 0.00 H new ATOM 777 N MET A 50 7.369 0.629 -9.391 1.00 0.00 N ATOM 778 CA MET A 50 6.106 0.264 -8.736 1.00 0.00 C ATOM 779 C MET A 50 5.432 1.538 -8.278 1.00 0.00 C ATOM 780 O MET A 50 6.096 2.517 -7.938 1.00 0.00 O ATOM 781 CB MET A 50 6.402 -0.628 -7.521 1.00 0.00 C ATOM 782 CG MET A 50 5.504 -1.841 -7.376 1.00 0.00 C ATOM 783 SD MET A 50 6.342 -3.375 -7.804 1.00 0.00 S ATOM 784 CE MET A 50 6.788 -3.053 -9.508 1.00 0.00 C ATOM 0 H MET A 50 7.987 1.168 -8.785 1.00 0.00 H new ATOM 0 HA MET A 50 5.460 -0.279 -9.426 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.436 -0.967 -7.583 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.318 -0.024 -6.618 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.144 -1.902 -6.349 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.628 -1.719 -8.014 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.846 -3.995 -10.053 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.034 -2.414 -9.967 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.756 -2.554 -9.543 1.00 0.00 H new ATOM 794 N VAL A 51 4.121 1.531 -8.287 1.00 0.00 N ATOM 795 CA VAL A 51 3.367 2.698 -7.891 1.00 0.00 C ATOM 796 C VAL A 51 2.995 2.629 -6.409 1.00 0.00 C ATOM 797 O VAL A 51 2.398 1.656 -5.950 1.00 0.00 O ATOM 798 CB VAL A 51 2.111 2.834 -8.779 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.832 2.739 -7.977 1.00 0.00 C ATOM 800 CG2 VAL A 51 2.159 4.126 -9.555 1.00 0.00 C ATOM 0 H VAL A 51 3.553 0.730 -8.564 1.00 0.00 H new ATOM 0 HA VAL A 51 3.986 3.584 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 51 2.111 1.998 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.024 2.840 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.788 1.773 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.809 3.536 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.268 4.210 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.198 4.966 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.046 4.137 -10.188 1.00 0.00 H new ATOM 810 N PHE A 52 3.379 3.660 -5.660 1.00 0.00 N ATOM 811 CA PHE A 52 3.102 3.699 -4.227 1.00 0.00 C ATOM 812 C PHE A 52 2.007 4.701 -3.871 1.00 0.00 C ATOM 813 O PHE A 52 2.161 5.907 -4.066 1.00 0.00 O ATOM 814 CB PHE A 52 4.367 4.047 -3.438 1.00 0.00 C ATOM 815 CG PHE A 52 5.388 2.952 -3.422 1.00 0.00 C ATOM 816 CD1 PHE A 52 5.994 2.571 -4.594 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.745 2.313 -2.245 1.00 0.00 C ATOM 818 CE1 PHE A 52 6.945 1.570 -4.614 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.695 1.306 -2.251 1.00 0.00 C ATOM 820 CZ PHE A 52 7.298 0.934 -3.440 1.00 0.00 C ATOM 0 H PHE A 52 3.879 4.474 -6.018 1.00 0.00 H new ATOM 0 HA PHE A 52 2.755 2.702 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.816 4.944 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.090 4.288 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.722 3.063 -5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.278 2.603 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.412 1.285 -5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.965 0.812 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.041 0.150 -3.450 1.00 0.00 H new ATOM 830 N ILE A 53 0.916 4.186 -3.316 1.00 0.00 N ATOM 831 CA ILE A 53 -0.208 5.024 -2.885 1.00 0.00 C ATOM 832 C ILE A 53 -0.734 4.525 -1.540 1.00 0.00 C ATOM 833 O ILE A 53 -0.620 3.343 -1.231 1.00 0.00 O ATOM 834 CB ILE A 53 -1.360 5.008 -3.909 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.839 3.577 -4.158 1.00 0.00 C ATOM 836 CG2 ILE A 53 -0.920 5.665 -5.209 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.325 3.392 -3.940 1.00 0.00 C ATOM 0 H ILE A 53 0.781 3.188 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 53 0.158 6.047 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.195 5.578 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.591 3.292 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.296 2.900 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.743 5.647 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.631 6.698 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.070 5.122 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.595 2.354 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.576 3.645 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.876 4.043 -4.618 1.00 0.00 H new ATOM 849 N LYS A 54 -1.307 5.415 -0.739 1.00 0.00 N ATOM 850 CA LYS A 54 -1.840 5.021 0.562 1.00 0.00 C ATOM 851 C LYS A 54 -3.326 5.346 0.658 1.00 0.00 C ATOM 852 O LYS A 54 -3.784 6.367 0.146 1.00 0.00 O ATOM 853 CB LYS A 54 -1.060 5.695 1.701 1.00 0.00 C ATOM 854 CG LYS A 54 -1.390 7.166 1.912 1.00 0.00 C ATOM 855 CD LYS A 54 -0.286 8.066 1.380 1.00 0.00 C ATOM 856 CE LYS A 54 0.662 8.498 2.487 1.00 0.00 C ATOM 857 NZ LYS A 54 -0.001 9.401 3.467 1.00 0.00 N ATOM 0 H LYS A 54 -1.415 6.404 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.720 3.942 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.257 5.156 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.007 5.601 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.328 7.405 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.537 7.358 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.273 7.540 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.727 8.947 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.041 7.617 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.522 9.006 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.697 9.726 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.400 10.222 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.764 8.887 3.952 1.00 0.00 H new ATOM 871 N VAL A 55 -4.075 4.467 1.313 1.00 0.00 N ATOM 872 CA VAL A 55 -5.509 4.662 1.469 1.00 0.00 C ATOM 873 C VAL A 55 -5.953 4.289 2.880 1.00 0.00 C ATOM 874 O VAL A 55 -5.829 3.140 3.304 1.00 0.00 O ATOM 875 CB VAL A 55 -6.295 3.855 0.395 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.522 3.147 0.967 1.00 0.00 C ATOM 877 CG2 VAL A 55 -6.701 4.766 -0.753 1.00 0.00 C ATOM 0 H VAL A 55 -3.714 3.615 1.743 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.732 5.718 1.319 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.624 3.078 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.030 2.601 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.210 2.450 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.202 3.885 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.250 4.190 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.335 5.568 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.809 5.194 -1.211 1.00 0.00 H new ATOM 887 N ASP A 56 -6.466 5.281 3.600 1.00 0.00 N ATOM 888 CA ASP A 56 -6.927 5.085 4.966 1.00 0.00 C ATOM 889 C ASP A 56 -8.301 4.419 4.984 1.00 0.00 C ATOM 890 O ASP A 56 -9.054 4.502 4.014 1.00 0.00 O ATOM 891 CB ASP A 56 -6.944 6.433 5.702 1.00 0.00 C ATOM 892 CG ASP A 56 -8.168 7.267 5.380 1.00 0.00 C ATOM 893 OD1 ASP A 56 -8.593 7.267 4.206 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.702 7.919 6.302 1.00 0.00 O ATOM 0 H ASP A 56 -6.573 6.235 3.255 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.239 4.418 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.905 6.255 6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.048 6.996 5.439 1.00 0.00 H new ATOM 899 N VAL A 57 -8.609 3.738 6.083 1.00 0.00 N ATOM 900 CA VAL A 57 -9.876 3.036 6.217 1.00 0.00 C ATOM 901 C VAL A 57 -10.994 3.962 6.695 1.00 0.00 C ATOM 902 O VAL A 57 -12.175 3.667 6.516 1.00 0.00 O ATOM 903 CB VAL A 57 -9.755 1.849 7.201 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.549 0.986 6.860 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.667 2.340 8.640 1.00 0.00 C ATOM 0 H VAL A 57 -7.996 3.659 6.894 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.128 2.664 5.224 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.654 1.240 7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.484 0.157 7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.656 0.594 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.642 1.587 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.583 1.486 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.791 2.979 8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.564 2.908 8.886 1.00 0.00 H new ATOM 915 N ASP A 58 -10.613 5.063 7.333 1.00 0.00 N ATOM 916 CA ASP A 58 -11.583 6.010 7.870 1.00 0.00 C ATOM 917 C ASP A 58 -12.230 6.862 6.780 1.00 0.00 C ATOM 918 O ASP A 58 -13.445 7.058 6.773 1.00 0.00 O ATOM 919 CB ASP A 58 -10.918 6.920 8.903 1.00 0.00 C ATOM 920 CG ASP A 58 -10.516 6.173 10.161 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.189 5.178 10.501 1.00 0.00 O ATOM 922 OD2 ASP A 58 -9.526 6.583 10.804 1.00 0.00 O ATOM 0 H ASP A 58 -9.639 5.322 7.491 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.371 5.424 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.035 7.382 8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.602 7.727 9.166 1.00 0.00 H new ATOM 927 N GLU A 59 -11.411 7.384 5.876 1.00 0.00 N ATOM 928 CA GLU A 59 -11.905 8.237 4.800 1.00 0.00 C ATOM 929 C GLU A 59 -12.687 7.439 3.763 1.00 0.00 C ATOM 930 O GLU A 59 -13.749 7.870 3.314 1.00 0.00 O ATOM 931 CB GLU A 59 -10.740 8.962 4.123 1.00 0.00 C ATOM 932 CG GLU A 59 -11.103 10.344 3.605 1.00 0.00 C ATOM 933 CD GLU A 59 -10.330 11.450 4.298 1.00 0.00 C ATOM 934 OE1 GLU A 59 -9.083 11.388 4.304 1.00 0.00 O ATOM 935 OE2 GLU A 59 -10.972 12.378 4.833 1.00 0.00 O ATOM 0 H GLU A 59 -10.402 7.233 5.865 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.581 8.968 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.918 9.053 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.378 8.355 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.910 10.388 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.171 10.511 3.744 1.00 0.00 H new ATOM 942 N VAL A 60 -12.162 6.282 3.377 1.00 0.00 N ATOM 943 CA VAL A 60 -12.827 5.449 2.387 1.00 0.00 C ATOM 944 C VAL A 60 -13.043 4.033 2.908 1.00 0.00 C ATOM 945 O VAL A 60 -12.351 3.098 2.506 1.00 0.00 O ATOM 946 CB VAL A 60 -12.026 5.393 1.072 1.00 0.00 C ATOM 947 CG1 VAL A 60 -12.387 6.569 0.178 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.530 5.368 1.354 1.00 0.00 C ATOM 0 H VAL A 60 -11.284 5.903 3.732 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.797 5.905 2.191 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.287 4.473 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.812 6.513 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.451 6.536 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.157 7.502 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.983 5.328 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.248 6.268 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.287 4.490 1.952 1.00 0.00 H new ATOM 958 N SER A 61 -14.019 3.883 3.798 1.00 0.00 N ATOM 959 CA SER A 61 -14.343 2.582 4.369 1.00 0.00 C ATOM 960 C SER A 61 -14.680 1.587 3.264 1.00 0.00 C ATOM 961 O SER A 61 -14.409 0.391 3.381 1.00 0.00 O ATOM 962 CB SER A 61 -15.517 2.708 5.341 1.00 0.00 C ATOM 963 OG SER A 61 -15.078 2.630 6.686 1.00 0.00 O ATOM 0 H SER A 61 -14.600 4.649 4.139 1.00 0.00 H new ATOM 0 HA SER A 61 -13.473 2.216 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.029 3.656 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.241 1.917 5.145 1.00 0.00 H new ATOM 0 HG SER A 61 -14.167 2.985 6.754 1.00 0.00 H new ATOM 969 N GLU A 62 -15.268 2.098 2.188 1.00 0.00 N ATOM 970 CA GLU A 62 -15.644 1.273 1.047 1.00 0.00 C ATOM 971 C GLU A 62 -14.436 0.521 0.499 1.00 0.00 C ATOM 972 O GLU A 62 -14.571 -0.566 -0.063 1.00 0.00 O ATOM 973 CB GLU A 62 -16.255 2.141 -0.052 1.00 0.00 C ATOM 974 CG GLU A 62 -17.680 2.582 0.240 1.00 0.00 C ATOM 975 CD GLU A 62 -17.819 3.264 1.587 1.00 0.00 C ATOM 976 OE1 GLU A 62 -17.047 4.207 1.858 1.00 0.00 O ATOM 977 OE2 GLU A 62 -18.701 2.854 2.371 1.00 0.00 O ATOM 0 H GLU A 62 -15.496 3.087 2.083 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.383 0.545 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.632 3.024 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.240 1.587 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.012 3.263 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.338 1.714 0.208 1.00 0.00 H new ATOM 984 N VAL A 63 -13.256 1.109 0.665 1.00 0.00 N ATOM 985 CA VAL A 63 -12.025 0.493 0.186 1.00 0.00 C ATOM 986 C VAL A 63 -11.670 -0.715 1.034 1.00 0.00 C ATOM 987 O VAL A 63 -11.251 -1.751 0.517 1.00 0.00 O ATOM 988 CB VAL A 63 -10.847 1.491 0.197 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.560 0.815 -0.255 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.158 2.699 -0.675 1.00 0.00 C ATOM 0 H VAL A 63 -13.127 2.009 1.127 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.200 0.179 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.705 1.837 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.744 1.538 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.327 -0.010 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.686 0.433 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.315 3.390 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.333 2.372 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.049 3.201 -0.297 1.00 0.00 H new ATOM 1000 N THR A 64 -11.854 -0.579 2.337 1.00 0.00 N ATOM 1001 CA THR A 64 -11.569 -1.661 3.261 1.00 0.00 C ATOM 1002 C THR A 64 -12.387 -2.896 2.892 1.00 0.00 C ATOM 1003 O THR A 64 -11.857 -4.003 2.800 1.00 0.00 O ATOM 1004 CB THR A 64 -11.892 -1.233 4.705 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.092 -0.101 5.067 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.643 -2.366 5.692 1.00 0.00 C ATOM 0 H THR A 64 -12.200 0.273 2.778 1.00 0.00 H new ATOM 0 HA THR A 64 -10.508 -1.903 3.195 1.00 0.00 H new ATOM 0 HB THR A 64 -12.949 -0.970 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.662 0.693 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.881 -2.029 6.701 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.274 -3.217 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.596 -2.664 5.647 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.678 -2.686 2.660 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.577 -3.769 2.275 1.00 0.00 C ATOM 1016 C GLU A 65 -14.291 -4.223 0.847 1.00 0.00 C ATOM 1017 O GLU A 65 -14.389 -5.407 0.524 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.036 -3.323 2.401 1.00 0.00 C ATOM 1019 CG GLU A 65 -16.370 -2.091 1.576 1.00 0.00 C ATOM 1020 CD GLU A 65 -17.864 -1.871 1.436 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.557 -2.791 0.952 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -18.340 -0.779 1.810 1.00 0.00 O ATOM 0 H GLU A 65 -14.127 -1.773 2.732 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.406 -4.609 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.685 -4.143 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.255 -3.118 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.919 -1.214 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.927 -2.190 0.585 1.00 0.00 H new ATOM 1029 N LYS A 66 -13.946 -3.261 -0.003 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.650 -3.523 -1.401 1.00 0.00 C ATOM 1031 C LYS A 66 -12.506 -4.522 -1.546 1.00 0.00 C ATOM 1032 O LYS A 66 -12.531 -5.386 -2.423 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.302 -2.200 -2.090 1.00 0.00 C ATOM 1034 CG LYS A 66 -12.651 -2.352 -3.452 1.00 0.00 C ATOM 1035 CD LYS A 66 -13.645 -2.828 -4.499 1.00 0.00 C ATOM 1036 CE LYS A 66 -14.129 -1.680 -5.373 1.00 0.00 C ATOM 1037 NZ LYS A 66 -13.554 -1.746 -6.745 1.00 0.00 N ATOM 0 H LYS A 66 -13.865 -2.279 0.261 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.527 -3.965 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.213 -1.612 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.633 -1.633 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.226 -1.397 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.826 -3.061 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.180 -3.591 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.497 -3.296 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.217 -1.704 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.856 -0.731 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.908 -0.947 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.517 -1.698 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.835 -2.640 -7.197 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.503 -4.394 -0.688 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.348 -5.279 -0.728 1.00 0.00 C ATOM 1053 C GLU A 67 -10.442 -6.368 0.338 1.00 0.00 C ATOM 1054 O GLU A 67 -9.460 -7.055 0.617 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.065 -4.472 -0.534 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.854 -3.406 -1.596 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.727 -3.988 -2.990 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -9.730 -4.530 -3.501 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -7.625 -3.903 -3.571 1.00 0.00 O ATOM 0 H GLU A 67 -11.466 -3.685 0.045 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.330 -5.763 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.089 -3.997 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.213 -5.152 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.689 -2.706 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.955 -2.837 -1.361 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.625 -6.528 0.929 1.00 0.00 N ATOM 1067 CA ASN A 68 -11.829 -7.537 1.952 1.00 0.00 C ATOM 1068 C ASN A 68 -10.777 -7.416 3.051 1.00 0.00 C ATOM 1069 O ASN A 68 -10.199 -8.411 3.490 1.00 0.00 O ATOM 1070 CB ASN A 68 -11.786 -8.923 1.322 1.00 0.00 C ATOM 1071 CG ASN A 68 -12.887 -9.820 1.842 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -13.717 -10.312 1.078 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -12.902 -10.038 3.150 1.00 0.00 N ATOM 0 H ASN A 68 -12.451 -5.970 0.714 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.808 -7.382 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.875 -8.831 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.819 -9.383 1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.621 -10.634 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.194 -9.610 3.747 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.534 -6.185 3.483 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.551 -5.911 4.525 1.00 0.00 C ATOM 1082 C ILE A 69 -10.102 -6.268 5.903 1.00 0.00 C ATOM 1083 O ILE A 69 -11.174 -5.804 6.290 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.137 -4.427 4.508 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.603 -4.025 3.128 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.103 -4.151 5.584 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.175 -4.457 2.879 1.00 0.00 C ATOM 0 H ILE A 69 -11.007 -5.355 3.125 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.676 -6.529 4.323 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.021 -3.824 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.244 -4.459 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.669 -2.942 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.822 -3.098 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.522 -4.390 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.221 -4.766 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.867 -4.138 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.522 -4.002 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.106 -5.542 2.950 1.00 0.00 H new ATOM 1099 N THR A 70 -9.372 -7.108 6.637 1.00 0.00 N ATOM 1100 CA THR A 70 -9.809 -7.533 7.959 1.00 0.00 C ATOM 1101 C THR A 70 -8.946 -6.951 9.080 1.00 0.00 C ATOM 1102 O THR A 70 -9.459 -6.600 10.142 1.00 0.00 O ATOM 1103 CB THR A 70 -9.793 -9.065 8.067 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.584 -9.584 7.501 1.00 0.00 O ATOM 1105 CG2 THR A 70 -10.993 -9.668 7.353 1.00 0.00 C ATOM 0 H THR A 70 -8.481 -7.504 6.337 1.00 0.00 H new ATOM 0 HA THR A 70 -10.824 -7.156 8.081 1.00 0.00 H new ATOM 0 HB THR A 70 -9.843 -9.334 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.581 -10.561 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.962 -10.754 7.442 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.911 -9.293 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.967 -9.390 6.299 1.00 0.00 H new ATOM 1113 N SER A 71 -7.636 -6.871 8.856 1.00 0.00 N ATOM 1114 CA SER A 71 -6.726 -6.351 9.883 1.00 0.00 C ATOM 1115 C SER A 71 -5.637 -5.440 9.307 1.00 0.00 C ATOM 1116 O SER A 71 -5.144 -5.660 8.203 1.00 0.00 O ATOM 1117 CB SER A 71 -6.076 -7.511 10.638 1.00 0.00 C ATOM 1118 OG SER A 71 -6.863 -7.902 11.749 1.00 0.00 O ATOM 0 H SER A 71 -7.183 -7.154 7.987 1.00 0.00 H new ATOM 0 HA SER A 71 -7.327 -5.746 10.562 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.945 -8.359 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.083 -7.217 10.978 1.00 0.00 H new ATOM 0 HG SER A 71 -6.426 -8.646 12.214 1.00 0.00 H new ATOM 1124 N MET A 72 -5.266 -4.422 10.089 1.00 0.00 N ATOM 1125 CA MET A 72 -4.228 -3.458 9.707 1.00 0.00 C ATOM 1126 C MET A 72 -3.046 -3.537 10.671 1.00 0.00 C ATOM 1127 O MET A 72 -3.202 -3.964 11.815 1.00 0.00 O ATOM 1128 CB MET A 72 -4.807 -2.027 9.703 1.00 0.00 C ATOM 1129 CG MET A 72 -4.288 -1.120 10.819 1.00 0.00 C ATOM 1130 SD MET A 72 -4.633 0.623 10.530 1.00 0.00 S ATOM 1131 CE MET A 72 -4.196 1.307 12.128 1.00 0.00 C ATOM 0 H MET A 72 -5.677 -4.242 11.005 1.00 0.00 H new ATOM 0 HA MET A 72 -3.880 -3.704 8.704 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.582 -1.562 8.743 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.892 -2.090 9.781 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.740 -1.422 11.764 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.212 -1.259 10.921 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.905 2.351 12.010 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.053 1.243 12.798 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.363 0.744 12.549 1.00 0.00 H new ATOM 1141 N PRO A 73 -1.854 -3.081 10.245 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.606 -2.558 8.890 1.00 0.00 C ATOM 1143 C PRO A 73 -1.537 -3.659 7.833 1.00 0.00 C ATOM 1144 O PRO A 73 -0.882 -4.681 8.040 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.246 -1.872 9.035 1.00 0.00 C ATOM 1146 CG PRO A 73 0.445 -2.668 10.083 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.623 -3.088 11.057 1.00 0.00 C ATOM 0 HA PRO A 73 -2.408 -1.901 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.308 -1.881 8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.354 -0.829 9.332 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.941 -3.536 9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.214 -2.076 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.422 -4.076 11.472 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.693 -2.398 11.898 1.00 0.00 H new ATOM 1155 N THR A 74 -2.181 -3.442 6.691 1.00 0.00 N ATOM 1156 CA THR A 74 -2.145 -4.416 5.608 1.00 0.00 C ATOM 1157 C THR A 74 -1.487 -3.831 4.358 1.00 0.00 C ATOM 1158 O THR A 74 -1.921 -2.803 3.837 1.00 0.00 O ATOM 1159 CB THR A 74 -3.555 -4.912 5.236 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.500 -4.492 6.226 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.575 -6.431 5.106 1.00 0.00 C ATOM 0 H THR A 74 -2.731 -2.606 6.493 1.00 0.00 H new ATOM 0 HA THR A 74 -1.556 -5.258 5.973 1.00 0.00 H new ATOM 0 HB THR A 74 -3.830 -4.480 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.540 -5.159 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.580 -6.760 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.877 -6.739 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.282 -6.881 6.055 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.463 -4.520 3.863 1.00 0.00 N ATOM 1170 CA PHE A 75 0.242 -4.105 2.648 1.00 0.00 C ATOM 1171 C PHE A 75 0.021 -5.151 1.575 1.00 0.00 C ATOM 1172 O PHE A 75 0.430 -6.303 1.723 1.00 0.00 O ATOM 1173 CB PHE A 75 1.751 -3.941 2.878 1.00 0.00 C ATOM 1174 CG PHE A 75 2.155 -2.730 3.683 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.205 -1.878 4.227 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.500 -2.445 3.892 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.586 -0.770 4.962 1.00 0.00 C ATOM 1178 CE2 PHE A 75 3.883 -1.338 4.628 1.00 0.00 C ATOM 1179 CZ PHE A 75 2.926 -0.501 5.163 1.00 0.00 C ATOM 0 H PHE A 75 -0.099 -5.374 4.286 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.155 -3.136 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.123 -4.832 3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.246 -3.893 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.155 -2.082 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.254 -3.096 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.836 -0.115 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.931 -1.129 4.784 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.224 0.363 5.738 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.632 -4.755 0.501 1.00 0.00 N ATOM 1190 CA LYS A 76 -0.911 -5.670 -0.587 1.00 0.00 C ATOM 1191 C LYS A 76 -0.406 -5.104 -1.904 1.00 0.00 C ATOM 1192 O LYS A 76 -0.581 -3.920 -2.191 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.415 -5.932 -0.677 1.00 0.00 C ATOM 1194 CG LYS A 76 -2.861 -7.252 -0.064 1.00 0.00 C ATOM 1195 CD LYS A 76 -3.940 -7.909 -0.908 1.00 0.00 C ATOM 1196 CE LYS A 76 -5.284 -7.224 -0.724 1.00 0.00 C ATOM 1197 NZ LYS A 76 -6.327 -7.794 -1.621 1.00 0.00 N ATOM 0 H LYS A 76 -0.979 -3.807 0.358 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.394 -6.609 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.944 -5.118 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.713 -5.913 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.006 -7.922 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.238 -7.080 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.653 -7.874 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.026 -8.961 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.603 -7.325 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.178 -6.158 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.228 -7.299 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.035 -7.676 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.447 -8.806 -1.414 1.00 0.00 H new ATOM 1211 N VAL A 77 0.198 -5.960 -2.713 1.00 0.00 N ATOM 1212 CA VAL A 77 0.696 -5.548 -4.005 1.00 0.00 C ATOM 1213 C VAL A 77 -0.302 -5.960 -5.064 1.00 0.00 C ATOM 1214 O VAL A 77 -0.799 -7.086 -5.057 1.00 0.00 O ATOM 1215 CB VAL A 77 2.071 -6.160 -4.318 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.515 -5.784 -5.722 1.00 0.00 C ATOM 1217 CG2 VAL A 77 3.098 -5.701 -3.297 1.00 0.00 C ATOM 0 H VAL A 77 0.353 -6.944 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 77 0.821 -4.465 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 77 1.987 -7.245 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.490 -6.226 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.789 -6.157 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.584 -4.699 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.067 -6.142 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.178 -4.614 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.787 -6.017 -2.301 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.625 -5.041 -5.950 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.600 -5.319 -6.980 1.00 0.00 C ATOM 1229 C TYR A 78 -0.976 -5.353 -8.365 1.00 0.00 C ATOM 1230 O TYR A 78 -0.334 -4.398 -8.796 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.711 -4.276 -6.919 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.472 -4.263 -5.610 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -3.411 -5.334 -4.733 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.258 -3.179 -5.258 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -4.112 -5.327 -3.546 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -4.965 -3.160 -4.072 1.00 0.00 C ATOM 1237 CZ TYR A 78 -4.890 -4.240 -3.219 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.590 -4.231 -2.035 1.00 0.00 O ATOM 0 H TYR A 78 -0.229 -4.101 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.014 -6.310 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.279 -3.289 -7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.412 -4.459 -7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.803 -6.190 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.319 -2.331 -5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.051 -6.171 -2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.572 -2.305 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.148 -3.631 -1.398 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.182 -6.463 -9.061 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.656 -6.631 -10.399 1.00 0.00 C ATOM 1250 C LYS A 79 -1.786 -6.778 -11.396 1.00 0.00 C ATOM 1251 O LYS A 79 -2.765 -7.487 -11.160 1.00 0.00 O ATOM 1252 CB LYS A 79 0.262 -7.847 -10.464 1.00 0.00 C ATOM 1253 CG LYS A 79 1.502 -7.628 -11.315 1.00 0.00 C ATOM 1254 CD LYS A 79 1.292 -8.036 -12.767 1.00 0.00 C ATOM 1255 CE LYS A 79 0.713 -9.434 -12.880 1.00 0.00 C ATOM 1256 NZ LYS A 79 1.405 -10.242 -13.922 1.00 0.00 N ATOM 0 H LYS A 79 -1.713 -7.262 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.077 -5.743 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.568 -8.115 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.297 -8.693 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.786 -6.576 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.331 -8.199 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.623 -7.325 -13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.243 -7.992 -13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.794 -9.939 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.349 -9.369 -13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.979 -11.190 -13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.307 -9.775 -14.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.413 -10.327 -13.682 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.641 -6.078 -12.503 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.640 -6.082 -13.560 1.00 0.00 C ATOM 1272 C ASN A 80 -4.023 -5.751 -13.000 1.00 0.00 C ATOM 1273 O ASN A 80 -5.039 -6.253 -13.480 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.663 -7.436 -14.271 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.934 -7.397 -15.602 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -0.717 -7.929 -15.633 1.00 0.00 O flip ATOM 1277 ND2 ASN A 80 -2.461 -6.894 -16.594 1.00 0.00 N flip ATOM 0 H ASN A 80 -0.830 -5.491 -12.698 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.371 -5.314 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.205 -8.189 -13.630 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.697 -7.742 -14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.398 -6.496 -16.527 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.961 -6.875 -17.483 1.00 0.00 H new ATOM 1284 N GLY A 81 -4.046 -4.873 -12.001 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.298 -4.447 -11.405 1.00 0.00 C ATOM 1286 C GLY A 81 -5.923 -5.461 -10.465 1.00 0.00 C ATOM 1287 O GLY A 81 -7.147 -5.585 -10.423 1.00 0.00 O ATOM 0 H GLY A 81 -3.214 -4.447 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.129 -3.519 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.008 -4.223 -12.201 1.00 0.00 H new ATOM 1291 N SER A 82 -5.109 -6.179 -9.692 1.00 0.00 N ATOM 1292 CA SER A 82 -5.661 -7.153 -8.754 1.00 0.00 C ATOM 1293 C SER A 82 -4.641 -7.602 -7.712 1.00 0.00 C ATOM 1294 O SER A 82 -3.533 -7.081 -7.652 1.00 0.00 O ATOM 1295 CB SER A 82 -6.216 -8.365 -9.503 1.00 0.00 C ATOM 1296 OG SER A 82 -7.430 -8.812 -8.924 1.00 0.00 O ATOM 0 H SER A 82 -4.091 -6.108 -9.695 1.00 0.00 H new ATOM 0 HA SER A 82 -6.471 -6.655 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.382 -8.105 -10.548 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.484 -9.172 -9.488 1.00 0.00 H new ATOM 0 HG SER A 82 -7.765 -9.587 -9.423 1.00 0.00 H new ATOM 1302 N SER A 83 -5.046 -8.559 -6.876 1.00 0.00 N ATOM 1303 CA SER A 83 -4.193 -9.070 -5.803 1.00 0.00 C ATOM 1304 C SER A 83 -3.023 -9.899 -6.319 1.00 0.00 C ATOM 1305 O SER A 83 -3.107 -10.544 -7.364 1.00 0.00 O ATOM 1306 CB SER A 83 -5.014 -9.897 -4.815 1.00 0.00 C ATOM 1307 OG SER A 83 -6.292 -10.208 -5.341 1.00 0.00 O ATOM 0 H SER A 83 -5.966 -8.998 -6.923 1.00 0.00 H new ATOM 0 HA SER A 83 -3.775 -8.198 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.482 -10.818 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.127 -9.345 -3.882 1.00 0.00 H new ATOM 0 HG SER A 83 -6.190 -10.762 -6.143 1.00 0.00 H new ATOM 1313 N VAL A 84 -1.931 -9.874 -5.555 1.00 0.00 N ATOM 1314 CA VAL A 84 -0.730 -10.616 -5.900 1.00 0.00 C ATOM 1315 C VAL A 84 0.052 -11.050 -4.644 1.00 0.00 C ATOM 1316 O VAL A 84 0.590 -12.156 -4.602 1.00 0.00 O ATOM 1317 CB VAL A 84 0.164 -9.803 -6.870 1.00 0.00 C ATOM 1318 CG1 VAL A 84 1.130 -8.884 -6.143 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.911 -10.735 -7.810 1.00 0.00 C ATOM 0 H VAL A 84 -1.859 -9.342 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.041 -11.526 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.497 -9.163 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.731 -8.339 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.569 -8.176 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.784 -9.476 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.534 -10.148 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.540 -11.410 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.195 -11.316 -8.391 1.00 0.00 H new ATOM 1329 N ASP A 85 0.102 -10.190 -3.617 1.00 0.00 N ATOM 1330 CA ASP A 85 0.804 -10.517 -2.374 1.00 0.00 C ATOM 1331 C ASP A 85 0.201 -9.770 -1.186 1.00 0.00 C ATOM 1332 O ASP A 85 -0.462 -8.747 -1.360 1.00 0.00 O ATOM 1333 CB ASP A 85 2.287 -10.183 -2.497 1.00 0.00 C ATOM 1334 CG ASP A 85 3.114 -10.808 -1.389 1.00 0.00 C ATOM 1335 OD1 ASP A 85 2.562 -11.625 -0.622 1.00 0.00 O ATOM 1336 OD2 ASP A 85 4.316 -10.482 -1.290 1.00 0.00 O ATOM 0 H ASP A 85 -0.334 -9.268 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 85 0.691 -11.587 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.656 -10.530 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.416 -9.101 -2.477 1.00 0.00 H new ATOM 1341 N THR A 86 0.430 -10.285 0.023 1.00 0.00 N ATOM 1342 CA THR A 86 -0.095 -9.664 1.229 1.00 0.00 C ATOM 1343 C THR A 86 0.933 -9.664 2.359 1.00 0.00 C ATOM 1344 O THR A 86 1.621 -10.660 2.582 1.00 0.00 O ATOM 1345 CB THR A 86 -1.349 -10.400 1.715 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.068 -11.795 1.877 1.00 0.00 O ATOM 1347 CG2 THR A 86 -2.501 -10.220 0.741 1.00 0.00 C ATOM 0 H THR A 86 0.976 -11.131 0.188 1.00 0.00 H new ATOM 0 HA THR A 86 -0.340 -8.634 0.971 1.00 0.00 H new ATOM 0 HB THR A 86 -1.640 -9.973 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.874 -12.257 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.377 -10.753 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.735 -9.160 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.219 -10.618 -0.234 1.00 0.00 H new ATOM 1355 N LEU A 87 1.026 -8.546 3.079 1.00 0.00 N ATOM 1356 CA LEU A 87 1.961 -8.430 4.193 1.00 0.00 C ATOM 1357 C LEU A 87 1.230 -7.952 5.451 1.00 0.00 C ATOM 1358 O LEU A 87 0.596 -6.897 5.451 1.00 0.00 O ATOM 1359 CB LEU A 87 3.115 -7.489 3.807 1.00 0.00 C ATOM 1360 CG LEU A 87 3.433 -6.348 4.780 1.00 0.00 C ATOM 1361 CD1 LEU A 87 3.940 -6.885 6.103 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.454 -5.409 4.164 1.00 0.00 C ATOM 0 H LEU A 87 0.466 -7.711 2.910 1.00 0.00 H new ATOM 0 HA LEU A 87 2.387 -9.408 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.016 -8.090 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.886 -7.052 2.835 1.00 0.00 H new ATOM 0 HG LEU A 87 2.513 -5.796 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.158 -6.054 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.179 -7.524 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.848 -7.464 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.674 -4.602 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.369 -5.959 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.053 -4.991 3.241 1.00 0.00 H new ATOM 1374 N LEU A 88 1.315 -8.748 6.517 1.00 0.00 N ATOM 1375 CA LEU A 88 0.651 -8.423 7.780 1.00 0.00 C ATOM 1376 C LEU A 88 1.583 -7.644 8.703 1.00 0.00 C ATOM 1377 O LEU A 88 2.772 -7.946 8.799 1.00 0.00 O ATOM 1378 CB LEU A 88 0.169 -9.700 8.477 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.335 -9.963 8.377 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.684 -11.307 8.997 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.116 -8.845 9.051 1.00 0.00 C ATOM 0 H LEU A 88 1.838 -9.624 6.531 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.212 -7.797 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.701 -10.551 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.444 -9.647 9.530 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.611 -9.989 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.758 -11.477 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.151 -12.099 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.394 -11.309 10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.184 -9.048 8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.835 -8.788 10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.889 -7.897 8.563 1.00 0.00 H new ATOM 1393 N GLY A 89 1.039 -6.627 9.367 1.00 0.00 N ATOM 1394 CA GLY A 89 1.846 -5.811 10.254 1.00 0.00 C ATOM 1395 C GLY A 89 2.874 -5.024 9.475 1.00 0.00 C ATOM 1396 O GLY A 89 3.415 -5.525 8.490 1.00 0.00 O ATOM 0 H GLY A 89 0.058 -6.355 9.306 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.204 -5.128 10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.346 -6.446 10.985 1.00 0.00 H new ATOM 1400 N ALA A 90 3.144 -3.789 9.886 1.00 0.00 N ATOM 1401 CA ALA A 90 4.109 -2.981 9.163 1.00 0.00 C ATOM 1402 C ALA A 90 5.527 -3.261 9.633 1.00 0.00 C ATOM 1403 O ALA A 90 5.937 -2.845 10.716 1.00 0.00 O ATOM 1404 CB ALA A 90 3.783 -1.505 9.323 1.00 0.00 C ATOM 0 H ALA A 90 2.718 -3.338 10.696 1.00 0.00 H new ATOM 0 HA ALA A 90 4.047 -3.247 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.514 -0.910 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.786 -1.308 8.929 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.815 -1.238 10.379 1.00 0.00 H new ATOM 1410 N ASN A 91 6.277 -3.938 8.778 1.00 0.00 N ATOM 1411 CA ASN A 91 7.668 -4.257 9.044 1.00 0.00 C ATOM 1412 C ASN A 91 8.525 -3.692 7.921 1.00 0.00 C ATOM 1413 O ASN A 91 8.244 -3.938 6.748 1.00 0.00 O ATOM 1414 CB ASN A 91 7.857 -5.768 9.175 1.00 0.00 C ATOM 1415 CG ASN A 91 7.418 -6.289 10.529 1.00 0.00 C ATOM 1416 OD1 ASN A 91 6.608 -5.665 11.214 1.00 0.00 O ATOM 1417 ND2 ASN A 91 7.952 -7.440 10.921 1.00 0.00 N ATOM 0 H ASN A 91 5.937 -4.281 7.880 1.00 0.00 H new ATOM 0 HA ASN A 91 7.975 -3.808 9.989 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.289 -6.272 8.393 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.907 -6.015 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.694 -7.841 11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.620 -7.923 10.320 1.00 0.00 H new ATOM 1424 N ASP A 92 9.554 -2.928 8.257 1.00 0.00 N ATOM 1425 CA ASP A 92 10.398 -2.347 7.223 1.00 0.00 C ATOM 1426 C ASP A 92 11.135 -3.448 6.451 1.00 0.00 C ATOM 1427 O ASP A 92 11.228 -3.412 5.227 1.00 0.00 O ATOM 1428 CB ASP A 92 11.415 -1.393 7.854 1.00 0.00 C ATOM 1429 CG ASP A 92 12.214 -2.049 8.963 1.00 0.00 C ATOM 1430 OD1 ASP A 92 11.604 -2.732 9.812 1.00 0.00 O ATOM 1431 OD2 ASP A 92 13.452 -1.879 8.983 1.00 0.00 O ATOM 0 H ASP A 92 9.821 -2.699 9.215 1.00 0.00 H new ATOM 0 HA ASP A 92 9.765 -1.794 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.097 -1.032 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.894 -0.522 8.252 1.00 0.00 H new ATOM 1436 N SER A 93 11.645 -4.432 7.186 1.00 0.00 N ATOM 1437 CA SER A 93 12.368 -5.558 6.603 1.00 0.00 C ATOM 1438 C SER A 93 11.457 -6.518 5.847 1.00 0.00 C ATOM 1439 O SER A 93 11.839 -7.066 4.813 1.00 0.00 O ATOM 1440 CB SER A 93 13.121 -6.315 7.694 1.00 0.00 C ATOM 1441 OG SER A 93 13.528 -5.443 8.734 1.00 0.00 O ATOM 0 H SER A 93 11.569 -4.471 8.202 1.00 0.00 H new ATOM 0 HA SER A 93 13.070 -5.143 5.880 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.484 -7.100 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.994 -6.805 7.264 1.00 0.00 H new ATOM 0 HG SER A 93 14.006 -5.953 9.420 1.00 0.00 H new ATOM 1447 N ALA A 94 10.264 -6.740 6.383 1.00 0.00 N ATOM 1448 CA ALA A 94 9.317 -7.661 5.769 1.00 0.00 C ATOM 1449 C ALA A 94 8.813 -7.089 4.475 1.00 0.00 C ATOM 1450 O ALA A 94 8.739 -7.776 3.461 1.00 0.00 O ATOM 1451 CB ALA A 94 8.164 -7.963 6.713 1.00 0.00 C ATOM 0 H ALA A 94 9.930 -6.297 7.239 1.00 0.00 H new ATOM 0 HA ALA A 94 9.829 -8.600 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.471 -8.653 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.550 -8.415 7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.643 -7.038 6.959 1.00 0.00 H new ATOM 1457 N LEU A 95 8.498 -5.816 4.504 1.00 0.00 N ATOM 1458 CA LEU A 95 8.038 -5.147 3.319 1.00 0.00 C ATOM 1459 C LEU A 95 9.181 -5.054 2.322 1.00 0.00 C ATOM 1460 O LEU A 95 8.966 -5.063 1.111 1.00 0.00 O ATOM 1461 CB LEU A 95 7.537 -3.756 3.660 1.00 0.00 C ATOM 1462 CG LEU A 95 7.696 -2.746 2.533 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.432 -2.704 1.703 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.083 -1.387 3.084 1.00 0.00 C ATOM 0 H LEU A 95 8.553 -5.227 5.335 1.00 0.00 H new ATOM 0 HA LEU A 95 7.216 -5.714 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.483 -3.817 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.073 -3.393 4.537 1.00 0.00 H new ATOM 0 HG LEU A 95 8.508 -3.054 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.550 -1.980 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.242 -3.690 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.592 -2.412 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.192 -0.679 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.308 -1.036 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.028 -1.468 3.621 1.00 0.00 H new ATOM 1476 N LYS A 96 10.402 -4.962 2.841 1.00 0.00 N ATOM 1477 CA LYS A 96 11.571 -4.862 1.999 1.00 0.00 C ATOM 1478 C LYS A 96 11.591 -6.028 1.032 1.00 0.00 C ATOM 1479 O LYS A 96 11.727 -5.847 -0.174 1.00 0.00 O ATOM 1480 CB LYS A 96 12.833 -4.881 2.860 1.00 0.00 C ATOM 1481 CG LYS A 96 14.015 -4.180 2.224 1.00 0.00 C ATOM 1482 CD LYS A 96 14.717 -5.069 1.216 1.00 0.00 C ATOM 1483 CE LYS A 96 15.482 -4.238 0.206 1.00 0.00 C ATOM 1484 NZ LYS A 96 16.767 -4.878 -0.187 1.00 0.00 N ATOM 0 H LYS A 96 10.599 -4.955 3.842 1.00 0.00 H new ATOM 0 HA LYS A 96 11.538 -3.927 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.615 -4.410 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.105 -5.916 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.676 -3.269 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.721 -3.880 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.401 -5.742 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.985 -5.692 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.866 -4.088 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.682 -3.252 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.554 -4.402 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.751 -5.883 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.895 -4.797 -1.216 1.00 0.00 H new ATOM 1498 N GLN A 97 11.439 -7.226 1.578 1.00 0.00 N ATOM 1499 CA GLN A 97 11.429 -8.429 0.775 1.00 0.00 C ATOM 1500 C GLN A 97 10.139 -8.543 -0.046 1.00 0.00 C ATOM 1501 O GLN A 97 10.163 -9.059 -1.163 1.00 0.00 O ATOM 1502 CB GLN A 97 11.677 -9.645 1.685 1.00 0.00 C ATOM 1503 CG GLN A 97 10.543 -10.674 1.786 1.00 0.00 C ATOM 1504 CD GLN A 97 9.318 -10.204 2.563 1.00 0.00 C ATOM 1505 OE1 GLN A 97 8.418 -9.591 1.996 1.00 0.00 O ATOM 1506 NE2 GLN A 97 9.243 -10.526 3.859 1.00 0.00 N ATOM 0 H GLN A 97 11.321 -7.386 2.578 1.00 0.00 H new ATOM 0 HA GLN A 97 12.236 -8.390 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.571 -10.158 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 97 11.895 -9.280 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.232 -10.951 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.931 -11.576 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.007 -11.036 4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 97 8.422 -10.262 4.403 1.00 0.00 H new ATOM 1515 N LEU A 98 9.016 -8.053 0.491 1.00 0.00 N ATOM 1516 CA LEU A 98 7.759 -8.108 -0.230 1.00 0.00 C ATOM 1517 C LEU A 98 7.783 -7.169 -1.432 1.00 0.00 C ATOM 1518 O LEU A 98 7.448 -7.555 -2.550 1.00 0.00 O ATOM 1519 CB LEU A 98 6.607 -7.746 0.705 1.00 0.00 C ATOM 1520 CG LEU A 98 5.289 -7.473 -0.005 1.00 0.00 C ATOM 1521 CD1 LEU A 98 4.190 -8.389 0.510 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.894 -6.015 0.144 1.00 0.00 C ATOM 0 H LEU A 98 8.961 -7.620 1.413 1.00 0.00 H new ATOM 0 HA LEU A 98 7.613 -9.124 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.462 -8.559 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.886 -6.864 1.282 1.00 0.00 H new ATOM 0 HG LEU A 98 5.426 -7.683 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.260 -8.172 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.471 -9.428 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.051 -8.225 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.949 -5.840 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.782 -5.775 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.667 -5.382 -0.292 1.00 0.00 H new ATOM 1534 N ILE A 99 8.193 -5.935 -1.176 1.00 0.00 N ATOM 1535 CA ILE A 99 8.286 -4.908 -2.187 1.00 0.00 C ATOM 1536 C ILE A 99 9.409 -5.226 -3.167 1.00 0.00 C ATOM 1537 O ILE A 99 9.306 -4.953 -4.360 1.00 0.00 O ATOM 1538 CB ILE A 99 8.425 -3.521 -1.499 1.00 0.00 C ATOM 1539 CG1 ILE A 99 7.693 -2.465 -2.307 1.00 0.00 C ATOM 1540 CG2 ILE A 99 9.869 -3.103 -1.258 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.360 -2.185 -3.624 1.00 0.00 C ATOM 0 H ILE A 99 8.472 -5.621 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 99 7.375 -4.875 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 99 7.970 -3.615 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.669 -2.793 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.637 -1.543 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.889 -2.126 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.357 -3.835 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.396 -3.048 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.797 -1.423 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.376 -1.830 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.392 -3.099 -4.217 1.00 0.00 H new ATOM 1553 N GLU A 100 10.465 -5.839 -2.661 1.00 0.00 N ATOM 1554 CA GLU A 100 11.596 -6.227 -3.485 1.00 0.00 C ATOM 1555 C GLU A 100 11.223 -7.297 -4.511 1.00 0.00 C ATOM 1556 O GLU A 100 11.791 -7.356 -5.597 1.00 0.00 O ATOM 1557 CB GLU A 100 12.733 -6.733 -2.604 1.00 0.00 C ATOM 1558 CG GLU A 100 13.745 -5.659 -2.250 1.00 0.00 C ATOM 1559 CD GLU A 100 15.153 -6.204 -2.117 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.316 -7.291 -1.525 1.00 0.00 O ATOM 1561 OE2 GLU A 100 16.094 -5.543 -2.604 1.00 0.00 O ATOM 0 H GLU A 100 10.562 -6.080 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 100 11.917 -5.342 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.315 -7.145 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.244 -7.549 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.730 -4.885 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.453 -5.185 -1.313 1.00 0.00 H new ATOM 1568 N LYS A 101 10.313 -8.178 -4.137 1.00 0.00 N ATOM 1569 CA LYS A 101 9.920 -9.286 -5.002 1.00 0.00 C ATOM 1570 C LYS A 101 9.208 -8.851 -6.278 1.00 0.00 C ATOM 1571 O LYS A 101 9.495 -9.365 -7.359 1.00 0.00 O ATOM 1572 CB LYS A 101 8.988 -10.202 -4.225 1.00 0.00 C ATOM 1573 CG LYS A 101 9.583 -11.562 -3.903 1.00 0.00 C ATOM 1574 CD LYS A 101 8.608 -12.421 -3.115 1.00 0.00 C ATOM 1575 CE LYS A 101 9.311 -13.183 -2.003 1.00 0.00 C ATOM 1576 NZ LYS A 101 9.860 -14.481 -2.482 1.00 0.00 N ATOM 0 H LYS A 101 9.829 -8.151 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 101 10.839 -9.787 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.706 -9.711 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.073 -10.344 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.853 -12.071 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.501 -11.433 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.828 -11.790 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.117 -13.125 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.120 -12.573 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.611 -13.364 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.331 -14.970 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.085 -15.073 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.547 -14.308 -3.243 1.00 0.00 H new ATOM 1590 N TYR A 102 8.269 -7.932 -6.152 1.00 0.00 N ATOM 1591 CA TYR A 102 7.510 -7.471 -7.306 1.00 0.00 C ATOM 1592 C TYR A 102 8.049 -6.161 -7.829 1.00 0.00 C ATOM 1593 O TYR A 102 7.813 -5.788 -8.978 1.00 0.00 O ATOM 1594 CB TYR A 102 6.034 -7.345 -6.947 1.00 0.00 C ATOM 1595 CG TYR A 102 5.583 -8.452 -6.042 1.00 0.00 C ATOM 1596 CD1 TYR A 102 5.757 -8.357 -4.673 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.023 -9.607 -6.561 1.00 0.00 C ATOM 1598 CE1 TYR A 102 5.386 -9.391 -3.839 1.00 0.00 C ATOM 1599 CE2 TYR A 102 4.640 -10.641 -5.738 1.00 0.00 C ATOM 1600 CZ TYR A 102 4.826 -10.533 -4.377 1.00 0.00 C ATOM 1601 OH TYR A 102 4.464 -11.574 -3.554 1.00 0.00 O ATOM 0 H TYR A 102 8.012 -7.490 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 102 7.615 -8.210 -8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.859 -6.385 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.436 -7.355 -7.859 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.189 -7.461 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.885 -9.698 -7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.532 -9.308 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.196 -11.532 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 102 4.892 -11.463 -2.679 1.00 0.00 H new ATOM 1611 N ALA A 103 8.772 -5.462 -6.976 1.00 0.00 N ATOM 1612 CA ALA A 103 9.342 -4.187 -7.349 1.00 0.00 C ATOM 1613 C ALA A 103 10.833 -4.309 -7.581 1.00 0.00 C ATOM 1614 O ALA A 103 11.373 -3.719 -8.513 1.00 0.00 O ATOM 1615 CB ALA A 103 9.043 -3.158 -6.280 1.00 0.00 C ATOM 0 H ALA A 103 8.977 -5.757 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 103 8.888 -3.861 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.475 -2.199 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.964 -3.051 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.474 -3.482 -5.333 1.00 0.00 H new ATOM 1621 N ALA A 104 11.498 -5.087 -6.739 1.00 0.00 N ATOM 1622 CA ALA A 104 12.939 -5.271 -6.888 1.00 0.00 C ATOM 1623 C ALA A 104 13.263 -6.562 -7.631 1.00 0.00 C ATOM 1624 CB ALA A 104 13.648 -5.237 -5.542 1.00 0.00 C ATOM 0 H ALA A 104 11.076 -5.593 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 104 13.307 -4.436 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.719 -5.377 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.471 -4.274 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.263 -6.035 -4.907 1.00 0.00 H new TER 1630 ALA A 104