USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -28:sc= -0.136! USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.0781 (180deg=-0.585) USER MOD Single : A 6 SER OG : rot 180:sc= 0.16 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.701 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=0.76) USER MOD Single : A 30 HIS : no HE2:sc= -0.559! C(o=-0.56!,f=-5.2!) USER MOD Single : A 33 THR OG1 : rot 90:sc= 0.293 USER MOD Single : A 35 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-1.5) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.15) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.327 (180deg=-1.2) USER MOD Single : A 58 THR OG1 : rot 131:sc= 0.362 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -52:sc= 0.0646 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 61:sc= 0.0859 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.452 12.837 -12.401 1.00 0.00 N ATOM 2 CA MET A 1 -4.589 12.291 -11.623 1.00 0.00 C ATOM 3 C MET A 1 -4.214 12.193 -10.148 1.00 0.00 C ATOM 4 O MET A 1 -4.578 13.039 -9.356 1.00 0.00 O ATOM 5 CB MET A 1 -4.944 10.884 -12.133 1.00 0.00 C ATOM 6 CG MET A 1 -6.143 10.984 -13.081 1.00 0.00 C ATOM 7 SD MET A 1 -6.479 9.564 -14.153 1.00 0.00 S ATOM 8 CE MET A 1 -8.073 10.138 -14.793 1.00 0.00 C ATOM 0 H1 MET A 1 -3.717 12.900 -13.405 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.212 13.785 -12.046 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.629 12.210 -12.299 1.00 0.00 H new ATOM 0 HA MET A 1 -5.443 12.958 -11.744 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.091 10.445 -12.650 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.181 10.228 -11.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.033 11.170 -12.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.998 11.858 -13.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.472 9.401 -15.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.770 10.271 -13.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.937 11.088 -15.309 1.00 0.00 H new ATOM 17 N SER A 2 -3.491 11.161 -9.806 1.00 0.00 N ATOM 18 CA SER A 2 -3.085 10.995 -8.388 1.00 0.00 C ATOM 19 C SER A 2 -1.764 10.240 -8.287 1.00 0.00 C ATOM 20 O SER A 2 -1.589 9.402 -7.425 1.00 0.00 O ATOM 21 CB SER A 2 -4.175 10.187 -7.667 1.00 0.00 C ATOM 22 OG SER A 2 -5.377 10.877 -7.977 1.00 0.00 O ATOM 0 H SER A 2 -3.168 10.433 -10.444 1.00 0.00 H new ATOM 0 HA SER A 2 -2.959 11.978 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.205 9.156 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.001 10.153 -6.592 1.00 0.00 H new ATOM 0 HG SER A 2 -5.181 11.825 -8.126 1.00 0.00 H new ATOM 28 N LYS A 3 -0.856 10.551 -9.173 1.00 0.00 N ATOM 29 CA LYS A 3 0.459 9.862 -9.147 1.00 0.00 C ATOM 30 C LYS A 3 1.193 10.137 -7.840 1.00 0.00 C ATOM 31 O LYS A 3 1.739 9.238 -7.231 1.00 0.00 O ATOM 32 CB LYS A 3 1.314 10.404 -10.305 1.00 0.00 C ATOM 33 CG LYS A 3 0.451 10.511 -11.562 1.00 0.00 C ATOM 34 CD LYS A 3 -0.202 9.155 -11.841 1.00 0.00 C ATOM 35 CE LYS A 3 -0.824 9.176 -13.239 1.00 0.00 C ATOM 36 NZ LYS A 3 0.237 9.257 -14.281 1.00 0.00 N ATOM 0 H LYS A 3 -0.970 11.249 -9.908 1.00 0.00 H new ATOM 0 HA LYS A 3 0.295 8.788 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.721 11.381 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.162 9.743 -10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.314 11.276 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.062 10.816 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.540 8.359 -11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.966 8.945 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.423 8.278 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.498 10.028 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.126 8.873 -15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.514 10.250 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.065 8.705 -13.977 1.00 0.00 H new ATOM 50 N GLU A 4 1.192 11.377 -7.434 1.00 0.00 N ATOM 51 CA GLU A 4 1.884 11.731 -6.170 1.00 0.00 C ATOM 52 C GLU A 4 1.217 12.927 -5.498 1.00 0.00 C ATOM 53 O GLU A 4 0.359 13.564 -6.075 1.00 0.00 O ATOM 54 CB GLU A 4 3.338 12.099 -6.509 1.00 0.00 C ATOM 55 CG GLU A 4 4.182 12.060 -5.232 1.00 0.00 C ATOM 56 CD GLU A 4 4.526 13.488 -4.808 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.935 14.231 -5.685 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.363 13.754 -3.629 1.00 0.00 O ATOM 0 H GLU A 4 0.744 12.153 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 4 1.839 10.883 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.739 11.402 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.379 13.093 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.635 11.554 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.095 11.490 -5.403 1.00 0.00 H new ATOM 65 N ASP A 5 1.629 13.209 -4.285 1.00 0.00 N ATOM 66 CA ASP A 5 1.033 14.360 -3.549 1.00 0.00 C ATOM 67 C ASP A 5 1.961 15.577 -3.581 1.00 0.00 C ATOM 68 O ASP A 5 2.939 15.598 -4.300 1.00 0.00 O ATOM 69 CB ASP A 5 0.828 13.937 -2.086 1.00 0.00 C ATOM 70 CG ASP A 5 -0.046 12.681 -2.040 1.00 0.00 C ATOM 71 OD1 ASP A 5 -0.128 12.040 -3.074 1.00 0.00 O ATOM 72 OD2 ASP A 5 -0.580 12.432 -0.970 1.00 0.00 O ATOM 0 H ASP A 5 2.348 12.693 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 5 0.090 14.633 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.791 13.742 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.356 14.743 -1.525 1.00 0.00 H new ATOM 77 N SER A 6 1.627 16.573 -2.800 1.00 0.00 N ATOM 78 CA SER A 6 2.475 17.795 -2.770 1.00 0.00 C ATOM 79 C SER A 6 3.899 17.453 -2.343 1.00 0.00 C ATOM 80 O SER A 6 4.201 16.313 -2.048 1.00 0.00 O ATOM 81 CB SER A 6 1.872 18.775 -1.752 1.00 0.00 C ATOM 82 OG SER A 6 1.016 17.966 -0.959 1.00 0.00 O ATOM 0 H SER A 6 0.811 16.590 -2.188 1.00 0.00 H new ATOM 0 HA SER A 6 2.506 18.235 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.646 19.249 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.320 19.574 -2.247 1.00 0.00 H new ATOM 0 HG SER A 6 0.586 18.519 -0.274 1.00 0.00 H new ATOM 88 N PHE A 7 4.754 18.445 -2.310 1.00 0.00 N ATOM 89 CA PHE A 7 6.160 18.171 -1.902 1.00 0.00 C ATOM 90 C PHE A 7 6.813 19.412 -1.305 1.00 0.00 C ATOM 91 O PHE A 7 6.563 20.515 -1.744 1.00 0.00 O ATOM 92 CB PHE A 7 6.949 17.752 -3.154 1.00 0.00 C ATOM 93 CG PHE A 7 8.045 16.756 -2.760 1.00 0.00 C ATOM 94 CD1 PHE A 7 7.716 15.476 -2.345 1.00 0.00 C ATOM 95 CD2 PHE A 7 9.382 17.116 -2.830 1.00 0.00 C ATOM 96 CE1 PHE A 7 8.705 14.575 -2.008 1.00 0.00 C ATOM 97 CE2 PHE A 7 10.369 16.211 -2.491 1.00 0.00 C ATOM 98 CZ PHE A 7 10.029 14.943 -2.081 1.00 0.00 C ATOM 0 H PHE A 7 4.542 19.415 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 7 6.163 17.384 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.278 17.300 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.392 18.628 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.679 15.181 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.654 18.111 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.440 13.579 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.408 16.499 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.801 14.236 -1.816 1.00 0.00 H new ATOM 108 N GLU A 8 7.651 19.200 -0.313 1.00 0.00 N ATOM 109 CA GLU A 8 8.342 20.350 0.336 1.00 0.00 C ATOM 110 C GLU A 8 9.807 20.398 -0.064 1.00 0.00 C ATOM 111 O GLU A 8 10.513 19.413 0.027 1.00 0.00 O ATOM 112 CB GLU A 8 8.258 20.170 1.860 1.00 0.00 C ATOM 113 CG GLU A 8 6.792 20.215 2.288 1.00 0.00 C ATOM 114 CD GLU A 8 6.711 20.231 3.814 1.00 0.00 C ATOM 115 OE1 GLU A 8 7.711 19.874 4.415 1.00 0.00 O ATOM 116 OE2 GLU A 8 5.652 20.600 4.295 1.00 0.00 O ATOM 0 H GLU A 8 7.881 18.283 0.069 1.00 0.00 H new ATOM 0 HA GLU A 8 7.861 21.275 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.706 19.220 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.821 20.956 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.309 21.102 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.259 19.350 1.893 1.00 0.00 H new ATOM 123 N MET A 9 10.240 21.545 -0.501 1.00 0.00 N ATOM 124 CA MET A 9 11.655 21.682 -0.912 1.00 0.00 C ATOM 125 C MET A 9 12.061 23.144 -0.927 1.00 0.00 C ATOM 126 O MET A 9 11.370 23.974 -1.480 1.00 0.00 O ATOM 127 CB MET A 9 11.815 21.109 -2.329 1.00 0.00 C ATOM 128 CG MET A 9 13.239 20.570 -2.494 1.00 0.00 C ATOM 129 SD MET A 9 13.730 19.187 -1.432 1.00 0.00 S ATOM 130 CE MET A 9 15.457 19.679 -1.198 1.00 0.00 C ATOM 0 H MET A 9 9.675 22.389 -0.590 1.00 0.00 H new ATOM 0 HA MET A 9 12.287 21.144 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 9 11.090 20.313 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.617 21.882 -3.072 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.365 20.260 -3.531 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.933 21.392 -2.320 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.959 18.951 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.958 19.721 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.495 20.661 -0.727 1.00 0.00 H new ATOM 140 N GLU A 10 13.173 23.437 -0.318 1.00 0.00 N ATOM 141 CA GLU A 10 13.634 24.843 -0.288 1.00 0.00 C ATOM 142 C GLU A 10 14.238 25.242 -1.624 1.00 0.00 C ATOM 143 O GLU A 10 14.707 24.406 -2.371 1.00 0.00 O ATOM 144 CB GLU A 10 14.706 24.978 0.799 1.00 0.00 C ATOM 145 CG GLU A 10 14.043 24.854 2.172 1.00 0.00 C ATOM 146 CD GLU A 10 15.103 24.516 3.223 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.215 24.242 2.803 1.00 0.00 O ATOM 148 OE2 GLU A 10 14.741 24.553 4.387 1.00 0.00 O ATOM 0 H GLU A 10 13.777 22.766 0.157 1.00 0.00 H new ATOM 0 HA GLU A 10 12.783 25.492 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.465 24.206 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.212 25.939 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.543 25.787 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.278 24.078 2.149 1.00 0.00 H new ATOM 155 N GLY A 11 14.219 26.515 -1.903 1.00 0.00 N ATOM 156 CA GLY A 11 14.790 26.987 -3.189 1.00 0.00 C ATOM 157 C GLY A 11 15.083 28.481 -3.091 1.00 0.00 C ATOM 158 O GLY A 11 14.735 29.111 -2.113 1.00 0.00 O ATOM 0 H GLY A 11 13.835 27.242 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.704 26.439 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.091 26.794 -4.003 1.00 0.00 H new ATOM 162 N THR A 12 15.713 29.015 -4.103 1.00 0.00 N ATOM 163 CA THR A 12 16.036 30.467 -4.084 1.00 0.00 C ATOM 164 C THR A 12 15.157 31.208 -5.070 1.00 0.00 C ATOM 165 O THR A 12 14.701 30.635 -6.034 1.00 0.00 O ATOM 166 CB THR A 12 17.498 30.641 -4.500 1.00 0.00 C ATOM 167 OG1 THR A 12 18.117 29.404 -4.214 1.00 0.00 O ATOM 168 CG2 THR A 12 18.210 31.649 -3.587 1.00 0.00 C ATOM 0 H THR A 12 16.016 28.510 -4.936 1.00 0.00 H new ATOM 0 HA THR A 12 15.867 30.866 -3.084 1.00 0.00 H new ATOM 0 HB THR A 12 17.550 30.965 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.064 29.447 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.248 31.756 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.710 32.615 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.179 31.293 -2.557 1.00 0.00 H new ATOM 176 N VAL A 13 14.947 32.474 -4.826 1.00 0.00 N ATOM 177 CA VAL A 13 14.066 33.270 -5.789 1.00 0.00 C ATOM 178 C VAL A 13 14.845 34.205 -6.688 1.00 0.00 C ATOM 179 O VAL A 13 15.205 35.269 -6.265 1.00 0.00 O ATOM 180 CB VAL A 13 13.140 34.188 -4.972 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.196 34.919 -5.931 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.319 33.350 -3.990 1.00 0.00 C ATOM 0 H VAL A 13 15.324 32.995 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 13 13.543 32.529 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 13 13.737 34.910 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.535 35.573 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.780 35.515 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.601 34.190 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.664 34.003 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.717 32.629 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.990 32.820 -3.314 1.00 0.00 H new ATOM 192 N VAL A 14 15.041 33.839 -7.945 1.00 0.00 N ATOM 193 CA VAL A 14 15.794 34.754 -8.814 1.00 0.00 C ATOM 194 C VAL A 14 15.188 34.773 -10.211 1.00 0.00 C ATOM 195 O VAL A 14 15.626 34.110 -11.130 1.00 0.00 O ATOM 196 CB VAL A 14 17.242 34.246 -8.879 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.197 35.414 -8.631 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.457 33.183 -7.798 1.00 0.00 C ATOM 0 H VAL A 14 14.716 32.973 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 14 15.759 35.768 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 14 17.434 33.814 -9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.226 35.058 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.043 36.178 -9.393 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.003 35.840 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.484 32.821 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.268 33.618 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.772 32.352 -7.964 1.00 0.00 H new ATOM 208 N ASP A 15 14.200 35.583 -10.293 1.00 0.00 N ATOM 209 CA ASP A 15 13.427 35.805 -11.550 1.00 0.00 C ATOM 210 C ASP A 15 12.232 36.664 -11.214 1.00 0.00 C ATOM 211 O ASP A 15 11.601 36.433 -10.199 1.00 0.00 O ATOM 212 CB ASP A 15 12.905 34.495 -12.114 1.00 0.00 C ATOM 213 CG ASP A 15 12.285 34.751 -13.491 1.00 0.00 C ATOM 214 OD1 ASP A 15 12.106 35.920 -13.796 1.00 0.00 O ATOM 215 OD2 ASP A 15 12.027 33.765 -14.159 1.00 0.00 O ATOM 0 H ASP A 15 13.867 36.138 -9.504 1.00 0.00 H new ATOM 0 HA ASP A 15 14.081 36.274 -12.285 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.716 33.772 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.162 34.066 -11.441 1.00 0.00 H new ATOM 220 N THR A 16 11.913 37.605 -12.048 1.00 0.00 N ATOM 221 CA THR A 16 10.734 38.473 -11.747 1.00 0.00 C ATOM 222 C THR A 16 9.650 38.295 -12.793 1.00 0.00 C ATOM 223 O THR A 16 9.764 38.775 -13.903 1.00 0.00 O ATOM 224 CB THR A 16 11.194 39.935 -11.750 1.00 0.00 C ATOM 225 OG1 THR A 16 10.007 40.703 -11.779 1.00 0.00 O ATOM 226 CG2 THR A 16 11.909 40.277 -13.065 1.00 0.00 C ATOM 0 H THR A 16 12.406 37.815 -12.916 1.00 0.00 H new ATOM 0 HA THR A 16 10.327 38.195 -10.775 1.00 0.00 H new ATOM 0 HB THR A 16 11.850 40.118 -10.899 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.234 41.656 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.227 41.319 -13.046 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.781 39.634 -13.183 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.227 40.121 -13.901 1.00 0.00 H new ATOM 234 N LEU A 17 8.610 37.602 -12.415 1.00 0.00 N ATOM 235 CA LEU A 17 7.501 37.376 -13.363 1.00 0.00 C ATOM 236 C LEU A 17 6.438 38.481 -13.193 1.00 0.00 C ATOM 237 O LEU A 17 6.507 39.252 -12.250 1.00 0.00 O ATOM 238 CB LEU A 17 6.902 36.014 -13.044 1.00 0.00 C ATOM 239 CG LEU A 17 7.877 34.945 -13.520 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.686 33.706 -12.689 1.00 0.00 C ATOM 241 CD2 LEU A 17 7.599 34.615 -14.985 1.00 0.00 C ATOM 0 H LEU A 17 8.488 37.187 -11.491 1.00 0.00 H new ATOM 0 HA LEU A 17 7.856 37.404 -14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.725 35.918 -11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.938 35.897 -13.539 1.00 0.00 H new ATOM 0 HG LEU A 17 8.899 35.309 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.380 32.934 -13.022 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.877 33.938 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.663 33.347 -12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.297 33.850 -15.324 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.578 34.246 -15.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.723 35.513 -15.590 1.00 0.00 H new ATOM 253 N PRO A 18 5.430 38.517 -14.068 1.00 0.00 N ATOM 254 CA PRO A 18 4.399 39.539 -13.959 1.00 0.00 C ATOM 255 C PRO A 18 3.185 39.006 -13.227 1.00 0.00 C ATOM 256 O PRO A 18 2.991 37.813 -13.135 1.00 0.00 O ATOM 257 CB PRO A 18 3.999 39.804 -15.425 1.00 0.00 C ATOM 258 CG PRO A 18 4.520 38.583 -16.259 1.00 0.00 C ATOM 259 CD PRO A 18 5.357 37.711 -15.298 1.00 0.00 C ATOM 0 HA PRO A 18 4.750 40.418 -13.419 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.918 39.905 -15.519 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.438 40.735 -15.784 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.687 38.013 -16.672 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.125 38.920 -17.101 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.883 36.746 -15.117 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.348 37.508 -15.703 1.00 0.00 H new ATOM 267 N ASN A 19 2.407 39.922 -12.702 1.00 0.00 N ATOM 268 CA ASN A 19 1.185 39.535 -11.954 1.00 0.00 C ATOM 269 C ASN A 19 1.568 39.116 -10.548 1.00 0.00 C ATOM 270 O ASN A 19 0.871 38.359 -9.903 1.00 0.00 O ATOM 271 CB ASN A 19 0.483 38.363 -12.665 1.00 0.00 C ATOM 272 CG ASN A 19 0.713 38.478 -14.174 1.00 0.00 C ATOM 273 OD1 ASN A 19 0.720 39.558 -14.729 1.00 0.00 O ATOM 274 ND2 ASN A 19 0.907 37.394 -14.872 1.00 0.00 N ATOM 0 H ASN A 19 2.573 40.926 -12.764 1.00 0.00 H new ATOM 0 HA ASN A 19 0.505 40.386 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.872 37.414 -12.297 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.585 38.376 -12.446 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.063 37.456 -15.878 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.902 36.484 -14.412 1.00 0.00 H new ATOM 281 N THR A 20 2.691 39.625 -10.102 1.00 0.00 N ATOM 282 CA THR A 20 3.173 39.291 -8.742 1.00 0.00 C ATOM 283 C THR A 20 3.674 37.850 -8.675 1.00 0.00 C ATOM 284 O THR A 20 3.164 37.048 -7.917 1.00 0.00 O ATOM 285 CB THR A 20 2.005 39.475 -7.756 1.00 0.00 C ATOM 286 OG1 THR A 20 1.215 40.512 -8.302 1.00 0.00 O ATOM 287 CG2 THR A 20 2.502 40.037 -6.417 1.00 0.00 C ATOM 0 H THR A 20 3.291 40.259 -10.630 1.00 0.00 H new ATOM 0 HA THR A 20 4.003 39.949 -8.485 1.00 0.00 H new ATOM 0 HB THR A 20 1.496 38.523 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.446 40.680 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.658 40.158 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.225 39.348 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.977 41.004 -6.582 1.00 0.00 H new ATOM 295 N MET A 21 4.673 37.543 -9.476 1.00 0.00 N ATOM 296 CA MET A 21 5.214 36.154 -9.464 1.00 0.00 C ATOM 297 C MET A 21 6.727 36.169 -9.590 1.00 0.00 C ATOM 298 O MET A 21 7.315 37.183 -9.915 1.00 0.00 O ATOM 299 CB MET A 21 4.637 35.398 -10.670 1.00 0.00 C ATOM 300 CG MET A 21 3.216 34.937 -10.349 1.00 0.00 C ATOM 301 SD MET A 21 2.440 33.792 -11.514 1.00 0.00 S ATOM 302 CE MET A 21 0.903 33.547 -10.596 1.00 0.00 C ATOM 0 H MET A 21 5.126 38.187 -10.125 1.00 0.00 H new ATOM 0 HA MET A 21 4.938 35.673 -8.526 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.632 36.043 -11.549 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.264 34.539 -10.909 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.227 34.465 -9.367 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.583 35.821 -10.271 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.258 32.859 -11.143 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.128 33.130 -9.614 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.394 34.504 -10.476 1.00 0.00 H new ATOM 312 N PHE A 22 7.338 35.043 -9.334 1.00 0.00 N ATOM 313 CA PHE A 22 8.801 34.980 -9.437 1.00 0.00 C ATOM 314 C PHE A 22 9.214 33.535 -9.678 1.00 0.00 C ATOM 315 O PHE A 22 8.450 32.633 -9.392 1.00 0.00 O ATOM 316 CB PHE A 22 9.379 35.460 -8.097 1.00 0.00 C ATOM 317 CG PHE A 22 8.565 36.666 -7.616 1.00 0.00 C ATOM 318 CD1 PHE A 22 7.380 36.484 -6.920 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.993 37.954 -7.887 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.639 37.573 -6.507 1.00 0.00 C ATOM 321 CE2 PHE A 22 8.247 39.041 -7.471 1.00 0.00 C ATOM 322 CZ PHE A 22 7.073 38.848 -6.783 1.00 0.00 C ATOM 0 H PHE A 22 6.879 34.174 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 22 9.165 35.600 -10.256 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.339 34.659 -7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.428 35.734 -8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.035 35.485 -6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.915 38.111 -8.427 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.716 37.423 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.587 40.043 -7.687 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.491 39.698 -6.459 1.00 0.00 H new ATOM 332 N ARG A 23 10.403 33.322 -10.184 1.00 0.00 N ATOM 333 CA ARG A 23 10.826 31.907 -10.427 1.00 0.00 C ATOM 334 C ARG A 23 11.658 31.442 -9.289 1.00 0.00 C ATOM 335 O ARG A 23 12.552 32.142 -8.843 1.00 0.00 O ATOM 336 CB ARG A 23 11.677 31.786 -11.702 1.00 0.00 C ATOM 337 CG ARG A 23 11.691 30.322 -12.161 1.00 0.00 C ATOM 338 CD ARG A 23 12.420 30.221 -13.502 1.00 0.00 C ATOM 339 NE ARG A 23 12.105 31.427 -14.314 1.00 0.00 N ATOM 340 CZ ARG A 23 11.192 31.357 -15.241 1.00 0.00 C ATOM 341 NH1 ARG A 23 10.300 30.403 -15.178 1.00 0.00 N ATOM 342 NH2 ARG A 23 11.199 32.241 -16.196 1.00 0.00 N ATOM 0 H ARG A 23 11.082 34.041 -10.433 1.00 0.00 H new ATOM 0 HA ARG A 23 9.923 31.306 -10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.269 32.422 -12.488 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.693 32.129 -11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.187 29.700 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.671 29.950 -12.259 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.495 30.145 -13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.112 29.319 -14.031 1.00 0.00 H new ATOM 0 HE ARG A 23 12.600 32.303 -14.146 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.327 29.730 -14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.578 30.332 -15.895 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.911 32.972 -16.210 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.493 32.203 -16.931 1.00 0.00 H new ATOM 356 N VAL A 24 11.370 30.267 -8.841 1.00 0.00 N ATOM 357 CA VAL A 24 12.122 29.718 -7.729 1.00 0.00 C ATOM 358 C VAL A 24 13.036 28.674 -8.277 1.00 0.00 C ATOM 359 O VAL A 24 12.601 27.756 -8.944 1.00 0.00 O ATOM 360 CB VAL A 24 11.125 29.103 -6.753 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.840 28.142 -5.832 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.506 30.218 -5.919 1.00 0.00 C ATOM 0 H VAL A 24 10.634 29.665 -9.210 1.00 0.00 H new ATOM 0 HA VAL A 24 12.708 30.477 -7.211 1.00 0.00 H new ATOM 0 HB VAL A 24 10.353 28.568 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.124 27.705 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.304 27.351 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.609 28.677 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.790 29.792 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.290 30.738 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.995 30.922 -6.575 1.00 0.00 H new ATOM 372 N GLU A 25 14.280 28.813 -7.990 1.00 0.00 N ATOM 373 CA GLU A 25 15.241 27.829 -8.504 1.00 0.00 C ATOM 374 C GLU A 25 15.543 26.699 -7.539 1.00 0.00 C ATOM 375 O GLU A 25 15.953 26.896 -6.413 1.00 0.00 O ATOM 376 CB GLU A 25 16.553 28.562 -8.804 1.00 0.00 C ATOM 377 CG GLU A 25 16.484 29.174 -10.205 1.00 0.00 C ATOM 378 CD GLU A 25 17.840 29.795 -10.552 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.666 29.827 -9.655 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.973 30.203 -11.694 1.00 0.00 O ATOM 0 H GLU A 25 14.675 29.563 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 25 14.792 27.378 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.724 29.342 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.392 27.870 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.223 28.409 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.702 29.933 -10.245 1.00 0.00 H new ATOM 387 N LEU A 26 15.323 25.547 -8.042 1.00 0.00 N ATOM 388 CA LEU A 26 15.543 24.314 -7.321 1.00 0.00 C ATOM 389 C LEU A 26 16.637 23.664 -8.102 1.00 0.00 C ATOM 390 O LEU A 26 16.636 22.472 -8.335 1.00 0.00 O ATOM 391 CB LEU A 26 14.264 23.450 -7.302 1.00 0.00 C ATOM 392 CG LEU A 26 13.221 24.147 -6.419 1.00 0.00 C ATOM 393 CD1 LEU A 26 11.833 23.579 -6.717 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.543 23.897 -4.941 1.00 0.00 C ATOM 0 H LEU A 26 14.975 25.410 -8.991 1.00 0.00 H new ATOM 0 HA LEU A 26 15.801 24.461 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.879 23.321 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.484 22.455 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 26 13.240 25.217 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.094 24.076 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.589 23.747 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.825 22.509 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.800 24.394 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.526 22.826 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.532 24.294 -4.712 1.00 0.00 H new ATOM 406 N GLU A 27 17.527 24.560 -8.588 1.00 0.00 N ATOM 407 CA GLU A 27 18.702 24.159 -9.413 1.00 0.00 C ATOM 408 C GLU A 27 19.291 22.870 -8.962 1.00 0.00 C ATOM 409 O GLU A 27 20.187 22.348 -9.596 1.00 0.00 O ATOM 410 CB GLU A 27 19.771 25.255 -9.295 1.00 0.00 C ATOM 411 CG GLU A 27 20.137 25.446 -7.823 1.00 0.00 C ATOM 412 CD GLU A 27 19.125 26.389 -7.168 1.00 0.00 C ATOM 413 OE1 GLU A 27 19.327 27.583 -7.313 1.00 0.00 O ATOM 414 OE2 GLU A 27 18.209 25.862 -6.557 1.00 0.00 O ATOM 0 H GLU A 27 17.458 25.565 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 27 18.367 24.031 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.656 24.980 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.398 26.190 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.140 24.484 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.143 25.857 -7.737 1.00 0.00 H new ATOM 421 N ASN A 28 18.822 22.368 -7.882 1.00 0.00 N ATOM 422 CA ASN A 28 19.354 21.107 -7.427 1.00 0.00 C ATOM 423 C ASN A 28 18.813 20.083 -8.437 1.00 0.00 C ATOM 424 O ASN A 28 18.655 18.913 -8.148 1.00 0.00 O ATOM 425 CB ASN A 28 18.810 20.789 -6.025 1.00 0.00 C ATOM 426 CG ASN A 28 19.799 19.874 -5.301 1.00 0.00 C ATOM 427 OD1 ASN A 28 20.047 18.758 -5.712 1.00 0.00 O ATOM 428 ND2 ASN A 28 20.389 20.308 -4.221 1.00 0.00 N ATOM 0 H ASN A 28 18.094 22.782 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 28 20.442 21.106 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 28 18.666 21.710 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.836 20.306 -6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.053 19.711 -3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.186 21.244 -3.870 1.00 0.00 H new ATOM 435 N GLY A 29 18.542 20.607 -9.641 1.00 0.00 N ATOM 436 CA GLY A 29 18.009 19.792 -10.751 1.00 0.00 C ATOM 437 C GLY A 29 16.583 20.275 -11.176 1.00 0.00 C ATOM 438 O GLY A 29 16.119 19.903 -12.237 1.00 0.00 O ATOM 0 H GLY A 29 18.682 21.590 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.684 19.850 -11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.966 18.746 -10.449 1.00 0.00 H new ATOM 442 N HIS A 30 15.914 21.097 -10.342 1.00 0.00 N ATOM 443 CA HIS A 30 14.529 21.577 -10.731 1.00 0.00 C ATOM 444 C HIS A 30 14.363 23.121 -10.738 1.00 0.00 C ATOM 445 O HIS A 30 15.115 23.843 -10.132 1.00 0.00 O ATOM 446 CB HIS A 30 13.531 20.991 -9.726 1.00 0.00 C ATOM 447 CG HIS A 30 13.240 19.538 -10.104 1.00 0.00 C ATOM 448 ND1 HIS A 30 13.841 18.897 -10.991 1.00 0.00 N ATOM 449 CD2 HIS A 30 12.308 18.661 -9.585 1.00 0.00 C ATOM 450 CE1 HIS A 30 13.398 17.714 -11.094 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.410 17.467 -10.232 1.00 0.00 N ATOM 0 H HIS A 30 16.263 21.437 -9.446 1.00 0.00 H new ATOM 0 HA HIS A 30 14.354 21.244 -11.754 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.939 21.043 -8.716 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.609 21.573 -9.728 1.00 0.00 H new ATOM 0 HD1 HIS A 30 14.595 19.278 -11.562 1.00 0.00 H new ATOM 0 HD2 HIS A 30 11.610 18.886 -8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 30 13.777 16.989 -11.799 1.00 0.00 H new ATOM 459 N VAL A 31 13.407 23.573 -11.512 1.00 0.00 N ATOM 460 CA VAL A 31 13.117 25.046 -11.615 1.00 0.00 C ATOM 461 C VAL A 31 11.587 25.225 -11.437 1.00 0.00 C ATOM 462 O VAL A 31 10.835 24.434 -11.968 1.00 0.00 O ATOM 463 CB VAL A 31 13.568 25.552 -13.013 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.352 25.816 -13.914 1.00 0.00 C ATOM 465 CG2 VAL A 31 14.348 26.856 -12.833 1.00 0.00 C ATOM 0 H VAL A 31 12.806 22.981 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 31 13.651 25.616 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 31 14.191 24.791 -13.483 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.691 26.170 -14.888 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.785 24.893 -14.040 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.716 26.573 -13.454 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.672 27.224 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.708 27.600 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.221 26.674 -12.206 1.00 0.00 H new ATOM 475 N VAL A 32 11.137 26.235 -10.712 1.00 0.00 N ATOM 476 CA VAL A 32 9.665 26.385 -10.553 1.00 0.00 C ATOM 477 C VAL A 32 9.262 27.817 -10.410 1.00 0.00 C ATOM 478 O VAL A 32 10.085 28.708 -10.372 1.00 0.00 O ATOM 479 CB VAL A 32 9.231 25.657 -9.308 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.712 25.572 -9.285 1.00 0.00 C ATOM 481 CG2 VAL A 32 9.813 24.246 -9.310 1.00 0.00 C ATOM 0 H VAL A 32 11.712 26.934 -10.242 1.00 0.00 H new ATOM 0 HA VAL A 32 9.193 25.975 -11.446 1.00 0.00 H new ATOM 0 HB VAL A 32 9.587 26.194 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.391 25.046 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.291 26.578 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.364 25.032 -10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.498 23.721 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.456 23.707 -10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.901 24.301 -9.336 1.00 0.00 H new ATOM 491 N THR A 33 7.988 28.001 -10.326 1.00 0.00 N ATOM 492 CA THR A 33 7.432 29.352 -10.182 1.00 0.00 C ATOM 493 C THR A 33 6.647 29.449 -8.900 1.00 0.00 C ATOM 494 O THR A 33 5.723 28.686 -8.687 1.00 0.00 O ATOM 495 CB THR A 33 6.497 29.605 -11.350 1.00 0.00 C ATOM 496 OG1 THR A 33 7.124 29.006 -12.468 1.00 0.00 O ATOM 497 CG2 THR A 33 6.439 31.098 -11.693 1.00 0.00 C ATOM 0 H THR A 33 7.295 27.253 -10.352 1.00 0.00 H new ATOM 0 HA THR A 33 8.239 30.085 -10.164 1.00 0.00 H new ATOM 0 HB THR A 33 5.501 29.231 -11.112 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.836 28.072 -12.543 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.762 31.252 -12.533 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.078 31.656 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.436 31.449 -11.961 1.00 0.00 H new ATOM 505 N ALA A 34 7.026 30.384 -8.058 1.00 0.00 N ATOM 506 CA ALA A 34 6.304 30.538 -6.777 1.00 0.00 C ATOM 507 C ALA A 34 5.811 31.958 -6.611 1.00 0.00 C ATOM 508 O ALA A 34 6.149 32.831 -7.385 1.00 0.00 O ATOM 509 CB ALA A 34 7.272 30.208 -5.635 1.00 0.00 C ATOM 0 H ALA A 34 7.797 31.035 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 34 5.445 29.867 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.758 30.316 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.626 29.183 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.121 30.891 -5.669 1.00 0.00 H new ATOM 515 N HIS A 35 5.020 32.161 -5.605 1.00 0.00 N ATOM 516 CA HIS A 35 4.483 33.512 -5.358 1.00 0.00 C ATOM 517 C HIS A 35 4.407 33.761 -3.857 1.00 0.00 C ATOM 518 O HIS A 35 4.113 32.857 -3.093 1.00 0.00 O ATOM 519 CB HIS A 35 3.062 33.581 -5.978 1.00 0.00 C ATOM 520 CG HIS A 35 2.086 34.271 -5.011 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.441 33.692 -4.112 1.00 0.00 N ATOM 522 CD2 HIS A 35 1.713 35.599 -4.932 1.00 0.00 C ATOM 523 CE1 HIS A 35 0.702 34.500 -3.473 1.00 0.00 C ATOM 524 NE2 HIS A 35 0.809 35.750 -3.925 1.00 0.00 N ATOM 0 H HIS A 35 4.723 31.445 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 35 5.126 34.270 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.096 34.127 -6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.708 32.575 -6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.080 36.391 -5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.059 34.209 -2.656 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.338 36.595 -3.602 1.00 0.00 H new ATOM 532 N ILE A 36 4.678 34.972 -3.461 1.00 0.00 N ATOM 533 CA ILE A 36 4.626 35.297 -2.015 1.00 0.00 C ATOM 534 C ILE A 36 3.310 35.985 -1.667 1.00 0.00 C ATOM 535 O ILE A 36 2.881 36.890 -2.354 1.00 0.00 O ATOM 536 CB ILE A 36 5.780 36.249 -1.701 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.793 36.577 -0.217 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.571 37.554 -2.487 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.876 37.625 0.052 1.00 0.00 C ATOM 0 H ILE A 36 4.932 35.746 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 36 4.704 34.379 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 36 6.723 35.777 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.819 36.954 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.987 35.677 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.388 38.243 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.551 37.336 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.626 38.009 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.893 37.867 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.847 37.229 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.660 38.526 -0.522 1.00 0.00 H new ATOM 551 N SER A 37 2.689 35.541 -0.608 1.00 0.00 N ATOM 552 CA SER A 37 1.400 36.160 -0.208 1.00 0.00 C ATOM 553 C SER A 37 1.482 37.678 -0.292 1.00 0.00 C ATOM 554 O SER A 37 2.529 38.259 -0.083 1.00 0.00 O ATOM 555 CB SER A 37 1.101 35.763 1.246 1.00 0.00 C ATOM 556 OG SER A 37 2.290 36.096 1.947 1.00 0.00 O ATOM 0 H SER A 37 3.017 34.783 -0.009 1.00 0.00 H new ATOM 0 HA SER A 37 0.615 35.813 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.241 36.306 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.873 34.701 1.330 1.00 0.00 H new ATOM 0 HG SER A 37 2.184 35.874 2.896 1.00 0.00 H new ATOM 562 N GLY A 38 0.375 38.297 -0.598 1.00 0.00 N ATOM 563 CA GLY A 38 0.371 39.784 -0.701 1.00 0.00 C ATOM 564 C GLY A 38 0.595 40.419 0.675 1.00 0.00 C ATOM 565 O GLY A 38 0.823 41.607 0.781 1.00 0.00 O ATOM 0 H GLY A 38 -0.520 37.842 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.152 40.109 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.579 40.123 -1.114 1.00 0.00 H new ATOM 569 N LYS A 39 0.522 39.614 1.701 1.00 0.00 N ATOM 570 CA LYS A 39 0.726 40.155 3.067 1.00 0.00 C ATOM 571 C LYS A 39 2.118 40.758 3.210 1.00 0.00 C ATOM 572 O LYS A 39 2.265 41.913 3.560 1.00 0.00 O ATOM 573 CB LYS A 39 0.582 39.005 4.075 1.00 0.00 C ATOM 574 CG LYS A 39 -0.843 38.452 4.005 1.00 0.00 C ATOM 575 CD LYS A 39 -1.034 37.417 5.114 1.00 0.00 C ATOM 576 CE LYS A 39 -2.525 37.116 5.269 1.00 0.00 C ATOM 577 NZ LYS A 39 -2.730 35.938 6.157 1.00 0.00 N ATOM 0 H LYS A 39 0.331 38.613 1.649 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.014 40.933 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.302 38.218 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.799 39.359 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.566 39.260 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.022 37.997 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.489 36.504 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.627 37.793 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.036 37.985 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.967 36.923 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.748 35.747 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.259 35.107 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.326 36.136 7.095 1.00 0.00 H new ATOM 591 N MET A 40 3.117 39.963 2.939 1.00 0.00 N ATOM 592 CA MET A 40 4.506 40.472 3.053 1.00 0.00 C ATOM 593 C MET A 40 4.698 41.729 2.213 1.00 0.00 C ATOM 594 O MET A 40 5.484 42.592 2.553 1.00 0.00 O ATOM 595 CB MET A 40 5.462 39.384 2.539 1.00 0.00 C ATOM 596 CG MET A 40 5.167 38.071 3.269 1.00 0.00 C ATOM 597 SD MET A 40 5.689 37.946 4.996 1.00 0.00 S ATOM 598 CE MET A 40 4.037 37.812 5.726 1.00 0.00 C ATOM 0 H MET A 40 3.029 38.990 2.646 1.00 0.00 H new ATOM 0 HA MET A 40 4.710 40.717 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.338 39.252 1.464 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.497 39.683 2.707 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.092 37.897 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.642 37.262 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.124 37.723 6.809 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.457 38.702 5.480 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.534 36.930 5.329 1.00 0.00 H new ATOM 608 N ARG A 41 3.979 41.810 1.128 1.00 0.00 N ATOM 609 CA ARG A 41 4.106 42.999 0.257 1.00 0.00 C ATOM 610 C ARG A 41 3.469 44.218 0.914 1.00 0.00 C ATOM 611 O ARG A 41 4.016 45.301 0.886 1.00 0.00 O ATOM 612 CB ARG A 41 3.380 42.709 -1.067 1.00 0.00 C ATOM 613 CG ARG A 41 4.180 41.674 -1.862 1.00 0.00 C ATOM 614 CD ARG A 41 4.265 42.120 -3.325 1.00 0.00 C ATOM 615 NE ARG A 41 4.954 43.440 -3.390 1.00 0.00 N ATOM 616 CZ ARG A 41 6.098 43.538 -4.011 1.00 0.00 C ATOM 617 NH1 ARG A 41 6.941 42.545 -3.938 1.00 0.00 N ATOM 618 NH2 ARG A 41 6.363 44.626 -4.684 1.00 0.00 N ATOM 0 H ARG A 41 3.313 41.105 0.812 1.00 0.00 H new ATOM 0 HA ARG A 41 5.162 43.207 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.375 42.337 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.273 43.626 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.181 41.569 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.702 40.697 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.810 41.381 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.266 42.195 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 41 4.535 44.261 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.701 41.711 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.840 42.603 -4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.680 45.383 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.252 44.718 -5.175 1.00 0.00 H new ATOM 632 N LYS A 42 2.319 44.013 1.492 1.00 0.00 N ATOM 633 CA LYS A 42 1.625 45.136 2.157 1.00 0.00 C ATOM 634 C LYS A 42 2.197 45.388 3.549 1.00 0.00 C ATOM 635 O LYS A 42 1.833 46.347 4.202 1.00 0.00 O ATOM 636 CB LYS A 42 0.138 44.767 2.297 1.00 0.00 C ATOM 637 CG LYS A 42 -0.603 45.181 1.026 1.00 0.00 C ATOM 638 CD LYS A 42 -2.064 44.739 1.130 1.00 0.00 C ATOM 639 CE LYS A 42 -2.915 45.925 1.584 1.00 0.00 C ATOM 640 NZ LYS A 42 -4.358 45.553 1.610 1.00 0.00 N ATOM 0 H LYS A 42 1.835 43.116 1.530 1.00 0.00 H new ATOM 0 HA LYS A 42 1.757 46.038 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.031 43.695 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.294 45.268 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.546 46.261 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.134 44.727 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.415 44.372 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.158 43.916 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.599 46.248 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.763 46.768 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.922 46.370 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.660 45.266 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.501 44.763 2.271 1.00 0.00 H new ATOM 654 N ASN A 43 3.088 44.519 3.975 1.00 0.00 N ATOM 655 CA ASN A 43 3.703 44.681 5.326 1.00 0.00 C ATOM 656 C ASN A 43 5.192 44.979 5.222 1.00 0.00 C ATOM 657 O ASN A 43 5.824 45.331 6.198 1.00 0.00 O ATOM 658 CB ASN A 43 3.523 43.363 6.093 1.00 0.00 C ATOM 659 CG ASN A 43 2.037 43.142 6.375 1.00 0.00 C ATOM 660 OD1 ASN A 43 1.636 42.120 6.892 1.00 0.00 O ATOM 661 ND2 ASN A 43 1.187 44.077 6.050 1.00 0.00 N ATOM 0 H ASN A 43 3.412 43.710 3.445 1.00 0.00 H new ATOM 0 HA ASN A 43 3.218 45.513 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.922 42.532 5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.082 43.394 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.192 43.947 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.518 44.938 5.615 1.00 0.00 H new ATOM 668 N TYR A 44 5.730 44.833 4.045 1.00 0.00 N ATOM 669 CA TYR A 44 7.170 45.106 3.876 1.00 0.00 C ATOM 670 C TYR A 44 7.511 45.374 2.417 1.00 0.00 C ATOM 671 O TYR A 44 6.978 44.743 1.525 1.00 0.00 O ATOM 672 CB TYR A 44 7.958 43.873 4.354 1.00 0.00 C ATOM 673 CG TYR A 44 7.938 43.822 5.884 1.00 0.00 C ATOM 674 CD1 TYR A 44 8.570 44.800 6.625 1.00 0.00 C ATOM 675 CD2 TYR A 44 7.288 42.799 6.545 1.00 0.00 C ATOM 676 CE1 TYR A 44 8.552 44.756 8.005 1.00 0.00 C ATOM 677 CE2 TYR A 44 7.269 42.755 7.924 1.00 0.00 C ATOM 678 CZ TYR A 44 7.901 43.733 8.665 1.00 0.00 C ATOM 679 OH TYR A 44 7.884 43.689 10.044 1.00 0.00 O ATOM 0 H TYR A 44 5.235 44.539 3.203 1.00 0.00 H new ATOM 0 HA TYR A 44 7.432 45.990 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.519 42.964 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.986 43.922 3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.083 45.606 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.790 42.026 5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.051 45.528 8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.756 41.949 8.427 1.00 0.00 H new ATOM 0 HH TYR A 44 7.380 42.902 10.340 1.00 0.00 H new ATOM 689 N ILE A 45 8.390 46.315 2.203 1.00 0.00 N ATOM 690 CA ILE A 45 8.784 46.647 0.831 1.00 0.00 C ATOM 691 C ILE A 45 9.203 45.396 0.063 1.00 0.00 C ATOM 692 O ILE A 45 9.289 44.321 0.621 1.00 0.00 O ATOM 693 CB ILE A 45 9.964 47.630 0.917 1.00 0.00 C ATOM 694 CG1 ILE A 45 9.847 48.643 -0.198 1.00 0.00 C ATOM 695 CG2 ILE A 45 11.304 46.863 0.766 1.00 0.00 C ATOM 696 CD1 ILE A 45 11.057 49.583 -0.169 1.00 0.00 C ATOM 0 H ILE A 45 8.847 46.863 2.932 1.00 0.00 H new ATOM 0 HA ILE A 45 7.942 47.090 0.299 1.00 0.00 H new ATOM 0 HB ILE A 45 9.943 48.132 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.792 48.134 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.926 49.216 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.135 47.566 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.393 46.125 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.327 46.358 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.970 50.313 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.092 50.102 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.971 49.004 -0.301 1.00 0.00 H new ATOM 708 N ARG A 46 9.459 45.562 -1.201 1.00 0.00 N ATOM 709 CA ARG A 46 9.874 44.398 -2.015 1.00 0.00 C ATOM 710 C ARG A 46 11.277 43.948 -1.633 1.00 0.00 C ATOM 711 O ARG A 46 12.188 44.748 -1.556 1.00 0.00 O ATOM 712 CB ARG A 46 9.879 44.819 -3.492 1.00 0.00 C ATOM 713 CG ARG A 46 10.709 43.815 -4.293 1.00 0.00 C ATOM 714 CD ARG A 46 10.489 44.063 -5.787 1.00 0.00 C ATOM 715 NE ARG A 46 11.560 44.969 -6.293 1.00 0.00 N ATOM 716 CZ ARG A 46 11.644 45.209 -7.574 1.00 0.00 C ATOM 717 NH1 ARG A 46 10.546 45.385 -8.255 1.00 0.00 N ATOM 718 NH2 ARG A 46 12.825 45.268 -8.131 1.00 0.00 N ATOM 0 H ARG A 46 9.399 46.449 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 46 9.181 43.575 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.860 44.856 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.296 45.821 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.766 43.919 -4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.420 42.796 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.506 43.119 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.509 44.509 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 46 12.221 45.397 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.641 45.334 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.592 45.573 -9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.663 45.128 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.909 45.454 -9.130 1.00 0.00 H new ATOM 732 N ILE A 47 11.430 42.674 -1.399 1.00 0.00 N ATOM 733 CA ILE A 47 12.769 42.166 -1.023 1.00 0.00 C ATOM 734 C ILE A 47 13.624 41.931 -2.264 1.00 0.00 C ATOM 735 O ILE A 47 13.119 41.583 -3.311 1.00 0.00 O ATOM 736 CB ILE A 47 12.602 40.849 -0.271 1.00 0.00 C ATOM 737 CG1 ILE A 47 13.966 40.331 0.142 1.00 0.00 C ATOM 738 CG2 ILE A 47 11.947 39.819 -1.209 1.00 0.00 C ATOM 739 CD1 ILE A 47 13.838 39.566 1.458 1.00 0.00 C ATOM 0 H ILE A 47 10.691 41.973 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 47 13.265 42.904 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 47 11.982 41.006 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.370 39.680 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.663 41.161 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.823 38.873 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.972 40.187 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.582 39.667 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.817 39.192 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.452 40.232 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.154 38.728 1.326 1.00 0.00 H new ATOM 751 N LEU A 48 14.908 42.132 -2.124 1.00 0.00 N ATOM 752 CA LEU A 48 15.812 41.926 -3.286 1.00 0.00 C ATOM 753 C LEU A 48 15.731 40.493 -3.818 1.00 0.00 C ATOM 754 O LEU A 48 15.344 39.583 -3.114 1.00 0.00 O ATOM 755 CB LEU A 48 17.265 42.247 -2.850 1.00 0.00 C ATOM 756 CG LEU A 48 17.851 41.091 -2.026 1.00 0.00 C ATOM 757 CD1 LEU A 48 19.347 41.336 -1.822 1.00 0.00 C ATOM 758 CD2 LEU A 48 17.167 41.038 -0.661 1.00 0.00 C ATOM 0 H LEU A 48 15.364 42.428 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 48 15.501 42.591 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.884 42.423 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.279 43.164 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 48 17.692 40.150 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.773 40.520 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.843 41.386 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.493 42.277 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.583 40.217 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.332 41.978 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.097 40.881 -0.796 1.00 0.00 H new ATOM 770 N THR A 49 16.105 40.334 -5.062 1.00 0.00 N ATOM 771 CA THR A 49 16.069 38.985 -5.691 1.00 0.00 C ATOM 772 C THR A 49 16.978 38.001 -4.989 1.00 0.00 C ATOM 773 O THR A 49 17.977 38.343 -4.389 1.00 0.00 O ATOM 774 CB THR A 49 16.515 39.117 -7.149 1.00 0.00 C ATOM 775 OG1 THR A 49 16.456 37.809 -7.679 1.00 0.00 O ATOM 776 CG2 THR A 49 17.998 39.503 -7.236 1.00 0.00 C ATOM 0 H THR A 49 16.434 41.085 -5.669 1.00 0.00 H new ATOM 0 HA THR A 49 15.050 38.605 -5.618 1.00 0.00 H new ATOM 0 HB THR A 49 15.898 39.858 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.731 37.824 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.290 39.591 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.156 40.458 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.603 38.735 -6.753 1.00 0.00 H new ATOM 784 N GLY A 50 16.572 36.801 -5.098 1.00 0.00 N ATOM 785 CA GLY A 50 17.279 35.659 -4.501 1.00 0.00 C ATOM 786 C GLY A 50 16.938 35.586 -3.045 1.00 0.00 C ATOM 787 O GLY A 50 17.690 36.004 -2.188 1.00 0.00 O ATOM 0 H GLY A 50 15.727 36.541 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.993 34.734 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.355 35.772 -4.631 1.00 0.00 H new ATOM 791 N ASP A 51 15.791 35.044 -2.812 1.00 0.00 N ATOM 792 CA ASP A 51 15.304 34.881 -1.452 1.00 0.00 C ATOM 793 C ASP A 51 15.368 33.437 -1.113 1.00 0.00 C ATOM 794 O ASP A 51 14.723 32.650 -1.785 1.00 0.00 O ATOM 795 CB ASP A 51 13.845 35.341 -1.380 1.00 0.00 C ATOM 796 CG ASP A 51 13.736 36.762 -1.918 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.446 37.592 -1.386 1.00 0.00 O ATOM 798 OD2 ASP A 51 12.949 36.937 -2.831 1.00 0.00 O ATOM 0 H ASP A 51 15.160 34.700 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 51 15.907 35.469 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.212 34.671 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.490 35.302 -0.350 1.00 0.00 H new ATOM 803 N LYS A 52 16.089 33.050 -0.122 1.00 0.00 N ATOM 804 CA LYS A 52 16.081 31.620 0.133 1.00 0.00 C ATOM 805 C LYS A 52 14.732 31.354 0.759 1.00 0.00 C ATOM 806 O LYS A 52 14.465 31.840 1.834 1.00 0.00 O ATOM 807 CB LYS A 52 17.217 31.261 1.109 1.00 0.00 C ATOM 808 CG LYS A 52 18.489 30.965 0.308 1.00 0.00 C ATOM 809 CD LYS A 52 19.634 30.640 1.274 1.00 0.00 C ATOM 810 CE LYS A 52 19.325 29.332 2.010 1.00 0.00 C ATOM 811 NZ LYS A 52 18.762 28.322 1.069 1.00 0.00 N ATOM 0 H LYS A 52 16.656 33.634 0.493 1.00 0.00 H new ATOM 0 HA LYS A 52 16.236 31.026 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.392 32.084 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.939 30.394 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.320 30.127 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.752 31.824 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.572 30.549 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.761 31.452 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.234 28.943 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.616 29.521 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.903 27.368 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.745 28.497 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.245 28.396 0.151 1.00 0.00 H new ATOM 825 N VAL A 53 13.890 30.593 0.081 1.00 0.00 N ATOM 826 CA VAL A 53 12.539 30.322 0.666 1.00 0.00 C ATOM 827 C VAL A 53 12.143 28.874 0.677 1.00 0.00 C ATOM 828 O VAL A 53 12.776 28.039 0.062 1.00 0.00 O ATOM 829 CB VAL A 53 11.530 31.050 -0.217 1.00 0.00 C ATOM 830 CG1 VAL A 53 11.946 32.521 -0.342 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.540 30.388 -1.605 1.00 0.00 C ATOM 0 H VAL A 53 14.077 30.162 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 53 12.563 30.653 1.704 1.00 0.00 H new ATOM 0 HB VAL A 53 10.531 30.995 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.230 33.049 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.966 32.979 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.938 32.582 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.825 30.893 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.538 30.463 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.264 29.338 -1.509 1.00 0.00 H new ATOM 841 N ARG A 54 11.068 28.598 1.398 1.00 0.00 N ATOM 842 CA ARG A 54 10.592 27.209 1.469 1.00 0.00 C ATOM 843 C ARG A 54 9.522 27.041 0.419 1.00 0.00 C ATOM 844 O ARG A 54 8.500 27.700 0.469 1.00 0.00 O ATOM 845 CB ARG A 54 9.992 26.945 2.853 1.00 0.00 C ATOM 846 CG ARG A 54 9.612 25.470 2.948 1.00 0.00 C ATOM 847 CD ARG A 54 9.034 25.191 4.335 1.00 0.00 C ATOM 848 NE ARG A 54 10.156 24.956 5.288 1.00 0.00 N ATOM 849 CZ ARG A 54 9.986 25.218 6.556 1.00 0.00 C ATOM 850 NH1 ARG A 54 8.869 24.864 7.127 1.00 0.00 N ATOM 851 NH2 ARG A 54 10.940 25.824 7.212 1.00 0.00 N ATOM 0 H ARG A 54 10.522 29.279 1.925 1.00 0.00 H new ATOM 0 HA ARG A 54 11.412 26.511 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.711 27.201 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.115 27.572 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.881 25.220 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.487 24.844 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.428 26.034 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.379 24.320 4.302 1.00 0.00 H new ATOM 0 HE ARG A 54 11.049 24.594 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.146 24.391 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.718 25.060 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.802 26.085 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.823 26.036 8.203 1.00 0.00 H new ATOM 865 N VAL A 55 9.760 26.166 -0.513 1.00 0.00 N ATOM 866 CA VAL A 55 8.767 25.955 -1.575 1.00 0.00 C ATOM 867 C VAL A 55 7.933 24.715 -1.363 1.00 0.00 C ATOM 868 O VAL A 55 8.392 23.724 -0.831 1.00 0.00 O ATOM 869 CB VAL A 55 9.523 25.788 -2.901 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.666 26.335 -4.043 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.841 26.574 -2.845 1.00 0.00 C ATOM 0 H VAL A 55 10.601 25.592 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 55 8.095 26.813 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 55 9.733 24.731 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.199 26.218 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.726 25.786 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.461 27.392 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.376 26.454 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.628 27.630 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.456 26.196 -2.028 1.00 0.00 H new ATOM 881 N GLU A 56 6.706 24.812 -1.790 1.00 0.00 N ATOM 882 CA GLU A 56 5.774 23.692 -1.660 1.00 0.00 C ATOM 883 C GLU A 56 5.222 23.425 -3.039 1.00 0.00 C ATOM 884 O GLU A 56 4.759 24.334 -3.703 1.00 0.00 O ATOM 885 CB GLU A 56 4.647 24.096 -0.685 1.00 0.00 C ATOM 886 CG GLU A 56 3.312 23.522 -1.158 1.00 0.00 C ATOM 887 CD GLU A 56 3.428 22.001 -1.288 1.00 0.00 C ATOM 888 OE1 GLU A 56 4.488 21.508 -0.944 1.00 0.00 O ATOM 889 OE2 GLU A 56 2.447 21.421 -1.721 1.00 0.00 O ATOM 0 H GLU A 56 6.315 25.644 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 56 6.257 22.796 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.874 23.731 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.583 25.182 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.523 23.778 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.035 23.960 -2.117 1.00 0.00 H new ATOM 896 N LEU A 57 5.267 22.199 -3.453 1.00 0.00 N ATOM 897 CA LEU A 57 4.747 21.886 -4.795 1.00 0.00 C ATOM 898 C LEU A 57 3.299 21.465 -4.733 1.00 0.00 C ATOM 899 O LEU A 57 2.924 20.605 -3.956 1.00 0.00 O ATOM 900 CB LEU A 57 5.580 20.731 -5.371 1.00 0.00 C ATOM 901 CG LEU A 57 7.029 21.200 -5.574 1.00 0.00 C ATOM 902 CD1 LEU A 57 7.924 19.978 -5.813 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.093 22.119 -6.797 1.00 0.00 C ATOM 0 H LEU A 57 5.638 21.409 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 57 4.817 22.775 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.554 19.876 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.157 20.400 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 57 7.370 21.739 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.954 20.304 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.872 19.314 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.584 19.446 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.119 22.455 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.758 21.574 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.448 22.983 -6.637 1.00 0.00 H new ATOM 915 N THR A 58 2.512 22.084 -5.570 1.00 0.00 N ATOM 916 CA THR A 58 1.064 21.766 -5.608 1.00 0.00 C ATOM 917 C THR A 58 0.837 20.340 -6.114 1.00 0.00 C ATOM 918 O THR A 58 1.676 19.784 -6.783 1.00 0.00 O ATOM 919 CB THR A 58 0.444 22.775 -6.578 1.00 0.00 C ATOM 920 OG1 THR A 58 1.036 22.503 -7.832 1.00 0.00 O ATOM 921 CG2 THR A 58 0.925 24.194 -6.221 1.00 0.00 C ATOM 0 H THR A 58 2.815 22.799 -6.231 1.00 0.00 H new ATOM 0 HA THR A 58 0.617 21.828 -4.616 1.00 0.00 H new ATOM 0 HB THR A 58 -0.644 22.708 -6.557 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.337 22.431 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.484 24.912 -6.912 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.621 24.436 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.011 24.239 -6.296 1.00 0.00 H new ATOM 929 N PRO A 59 -0.299 19.757 -5.757 1.00 0.00 N ATOM 930 CA PRO A 59 -0.617 18.404 -6.184 1.00 0.00 C ATOM 931 C PRO A 59 -0.280 18.207 -7.653 1.00 0.00 C ATOM 932 O PRO A 59 -0.017 17.105 -8.090 1.00 0.00 O ATOM 933 CB PRO A 59 -2.133 18.265 -5.939 1.00 0.00 C ATOM 934 CG PRO A 59 -2.560 19.482 -5.054 1.00 0.00 C ATOM 935 CD PRO A 59 -1.329 20.406 -4.933 1.00 0.00 C ATOM 0 HA PRO A 59 -0.043 17.653 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.679 18.263 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.359 17.324 -5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.398 20.013 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.889 19.147 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.550 21.411 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.006 20.503 -3.897 1.00 0.00 H new ATOM 943 N TYR A 60 -0.297 19.284 -8.393 1.00 0.00 N ATOM 944 CA TYR A 60 0.024 19.178 -9.836 1.00 0.00 C ATOM 945 C TYR A 60 1.527 19.004 -9.980 1.00 0.00 C ATOM 946 O TYR A 60 2.010 18.320 -10.860 1.00 0.00 O ATOM 947 CB TYR A 60 -0.411 20.481 -10.526 1.00 0.00 C ATOM 948 CG TYR A 60 -1.655 21.034 -9.818 1.00 0.00 C ATOM 949 CD1 TYR A 60 -2.629 20.177 -9.343 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.823 22.394 -9.645 1.00 0.00 C ATOM 951 CE1 TYR A 60 -3.751 20.671 -8.706 1.00 0.00 C ATOM 952 CE2 TYR A 60 -2.946 22.889 -9.008 1.00 0.00 C ATOM 953 CZ TYR A 60 -3.918 22.030 -8.535 1.00 0.00 C ATOM 954 OH TYR A 60 -5.045 22.524 -7.908 1.00 0.00 O ATOM 0 H TYR A 60 -0.518 20.222 -8.060 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.491 18.331 -10.289 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.397 21.212 -10.492 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.629 20.295 -11.578 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.512 19.111 -9.471 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.070 23.077 -10.011 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.503 19.988 -8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.064 23.955 -8.880 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.997 23.502 -7.873 1.00 0.00 H new ATOM 964 N ASP A 61 2.229 19.643 -9.089 1.00 0.00 N ATOM 965 CA ASP A 61 3.709 19.573 -9.089 1.00 0.00 C ATOM 966 C ASP A 61 4.308 19.589 -10.489 1.00 0.00 C ATOM 967 O ASP A 61 5.156 18.774 -10.798 1.00 0.00 O ATOM 968 CB ASP A 61 4.113 18.263 -8.395 1.00 0.00 C ATOM 969 CG ASP A 61 5.473 18.442 -7.730 1.00 0.00 C ATOM 970 OD1 ASP A 61 6.302 19.086 -8.355 1.00 0.00 O ATOM 971 OD2 ASP A 61 5.608 17.926 -6.635 1.00 0.00 O ATOM 0 H ASP A 61 1.830 20.220 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 61 4.089 20.454 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.366 17.987 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.155 17.451 -9.121 1.00 0.00 H new ATOM 976 N LEU A 62 3.876 20.517 -11.311 1.00 0.00 N ATOM 977 CA LEU A 62 4.435 20.570 -12.685 1.00 0.00 C ATOM 978 C LEU A 62 5.418 21.728 -12.817 1.00 0.00 C ATOM 979 O LEU A 62 6.602 21.526 -12.997 1.00 0.00 O ATOM 980 CB LEU A 62 3.283 20.810 -13.684 1.00 0.00 C ATOM 981 CG LEU A 62 1.976 21.020 -12.929 1.00 0.00 C ATOM 982 CD1 LEU A 62 1.927 22.454 -12.371 1.00 0.00 C ATOM 983 CD2 LEU A 62 0.823 20.821 -13.898 1.00 0.00 C ATOM 0 H LEU A 62 3.174 21.224 -11.090 1.00 0.00 H new ATOM 0 HA LEU A 62 4.946 19.630 -12.890 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.501 21.682 -14.301 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.191 19.958 -14.358 1.00 0.00 H new ATOM 0 HG LEU A 62 1.904 20.311 -12.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.992 22.603 -11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.766 22.609 -11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.989 23.167 -13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.122 20.968 -13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.903 21.542 -14.711 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.860 19.810 -14.304 1.00 0.00 H new ATOM 995 N SER A 63 4.895 22.925 -12.736 1.00 0.00 N ATOM 996 CA SER A 63 5.764 24.126 -12.849 1.00 0.00 C ATOM 997 C SER A 63 5.371 25.203 -11.842 1.00 0.00 C ATOM 998 O SER A 63 5.853 26.316 -11.928 1.00 0.00 O ATOM 999 CB SER A 63 5.619 24.694 -14.269 1.00 0.00 C ATOM 1000 OG SER A 63 6.866 25.322 -14.520 1.00 0.00 O ATOM 0 H SER A 63 3.903 23.118 -12.596 1.00 0.00 H new ATOM 0 HA SER A 63 6.793 23.832 -12.642 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.416 23.906 -14.995 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.795 25.405 -14.332 1.00 0.00 H new ATOM 0 HG SER A 63 7.075 25.939 -13.788 1.00 0.00 H new ATOM 1006 N LYS A 64 4.491 24.868 -10.910 1.00 0.00 N ATOM 1007 CA LYS A 64 4.070 25.898 -9.905 1.00 0.00 C ATOM 1008 C LYS A 64 4.177 25.420 -8.452 1.00 0.00 C ATOM 1009 O LYS A 64 3.980 24.250 -8.125 1.00 0.00 O ATOM 1010 CB LYS A 64 2.594 26.256 -10.176 1.00 0.00 C ATOM 1011 CG LYS A 64 2.394 26.553 -11.666 1.00 0.00 C ATOM 1012 CD LYS A 64 2.689 28.028 -11.925 1.00 0.00 C ATOM 1013 CE LYS A 64 1.454 28.866 -11.571 1.00 0.00 C ATOM 1014 NZ LYS A 64 0.584 29.057 -12.767 1.00 0.00 N ATOM 0 H LYS A 64 4.060 23.949 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 64 4.742 26.748 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.949 25.432 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.306 27.123 -9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.054 25.927 -12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.372 26.316 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.543 28.349 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.956 28.178 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.889 28.373 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.766 29.836 -11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.246 29.627 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.120 29.547 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.270 28.130 -13.120 1.00 0.00 H new ATOM 1028 N GLY A 65 4.459 26.371 -7.609 1.00 0.00 N ATOM 1029 CA GLY A 65 4.600 26.097 -6.164 1.00 0.00 C ATOM 1030 C GLY A 65 4.344 27.399 -5.419 1.00 0.00 C ATOM 1031 O GLY A 65 3.922 28.362 -6.017 1.00 0.00 O ATOM 0 H GLY A 65 4.600 27.346 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.892 25.331 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.598 25.719 -5.942 1.00 0.00 H new ATOM 1035 N ARG A 66 4.541 27.397 -4.137 1.00 0.00 N ATOM 1036 CA ARG A 66 4.305 28.657 -3.365 1.00 0.00 C ATOM 1037 C ARG A 66 5.413 28.866 -2.344 1.00 0.00 C ATOM 1038 O ARG A 66 6.095 27.933 -1.980 1.00 0.00 O ATOM 1039 CB ARG A 66 2.950 28.562 -2.640 1.00 0.00 C ATOM 1040 CG ARG A 66 2.736 27.137 -2.148 1.00 0.00 C ATOM 1041 CD ARG A 66 1.420 27.072 -1.374 1.00 0.00 C ATOM 1042 NE ARG A 66 1.477 28.042 -0.246 1.00 0.00 N ATOM 1043 CZ ARG A 66 1.055 27.679 0.933 1.00 0.00 C ATOM 1044 NH1 ARG A 66 1.473 26.548 1.430 1.00 0.00 N ATOM 1045 NH2 ARG A 66 0.226 28.458 1.573 1.00 0.00 N ATOM 0 H ARG A 66 4.851 26.594 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 66 4.298 29.501 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.926 29.256 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.144 28.850 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.712 26.447 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.564 26.831 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.583 27.307 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.254 26.063 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 66 1.843 28.982 -0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.119 25.965 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.154 26.247 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.081 29.334 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.115 28.191 2.496 1.00 0.00 H new ATOM 1059 N ILE A 67 5.566 30.091 -1.891 1.00 0.00 N ATOM 1060 CA ILE A 67 6.632 30.376 -0.891 1.00 0.00 C ATOM 1061 C ILE A 67 6.057 30.554 0.504 1.00 0.00 C ATOM 1062 O ILE A 67 5.054 31.210 0.678 1.00 0.00 O ATOM 1063 CB ILE A 67 7.308 31.683 -1.293 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.317 31.424 -2.400 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.055 32.246 -0.073 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.426 32.666 -3.294 1.00 0.00 C ATOM 0 H ILE A 67 5.002 30.894 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 67 7.329 29.538 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 67 6.554 32.388 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.290 31.185 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.010 30.562 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.544 33.181 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.347 32.429 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.805 31.528 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.150 32.481 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.453 32.884 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.753 33.517 -2.696 1.00 0.00 H new ATOM 1078 N THR A 68 6.722 29.976 1.486 1.00 0.00 N ATOM 1079 CA THR A 68 6.236 30.103 2.845 1.00 0.00 C ATOM 1080 C THR A 68 7.345 29.761 3.808 1.00 0.00 C ATOM 1081 O THR A 68 7.460 28.645 4.261 1.00 0.00 O ATOM 1082 CB THR A 68 5.094 29.112 3.058 1.00 0.00 C ATOM 1083 OG1 THR A 68 5.454 27.963 2.318 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.793 29.605 2.404 1.00 0.00 C ATOM 0 H THR A 68 7.576 29.429 1.374 1.00 0.00 H new ATOM 0 HA THR A 68 5.894 31.124 3.014 1.00 0.00 H new ATOM 0 HB THR A 68 4.941 28.958 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.294 27.599 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.001 28.876 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.506 30.562 2.841 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.948 29.728 1.332 1.00 0.00 H new ATOM 1092 N TYR A 69 8.111 30.771 4.068 1.00 0.00 N ATOM 1093 CA TYR A 69 9.304 30.717 5.012 1.00 0.00 C ATOM 1094 C TYR A 69 10.557 31.045 4.245 1.00 0.00 C ATOM 1095 O TYR A 69 10.839 30.422 3.249 1.00 0.00 O ATOM 1096 CB TYR A 69 9.472 29.326 5.653 1.00 0.00 C ATOM 1097 CG TYR A 69 10.659 29.364 6.617 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.488 29.779 7.923 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.915 28.980 6.197 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.557 29.809 8.794 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.984 29.009 7.069 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.814 29.424 8.375 1.00 0.00 C ATOM 1103 OH TYR A 69 13.885 29.446 9.249 1.00 0.00 O ATOM 0 H TYR A 69 7.968 31.691 3.652 1.00 0.00 H new ATOM 0 HA TYR A 69 9.128 31.441 5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.563 29.044 6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.637 28.573 4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.510 30.082 8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.063 28.654 5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.409 30.137 9.812 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.962 28.704 6.727 1.00 0.00 H new ATOM 0 HH TYR A 69 14.693 29.142 8.785 1.00 0.00 H new ATOM 1113 N ARG A 70 11.302 32.024 4.714 1.00 0.00 N ATOM 1114 CA ARG A 70 12.536 32.375 3.984 1.00 0.00 C ATOM 1115 C ARG A 70 13.613 32.968 4.864 1.00 0.00 C ATOM 1116 O ARG A 70 13.351 33.489 5.930 1.00 0.00 O ATOM 1117 CB ARG A 70 12.182 33.404 2.911 1.00 0.00 C ATOM 1118 CG ARG A 70 11.608 34.643 3.584 1.00 0.00 C ATOM 1119 CD ARG A 70 11.079 35.599 2.513 1.00 0.00 C ATOM 1120 NE ARG A 70 11.194 36.994 3.016 1.00 0.00 N ATOM 1121 CZ ARG A 70 10.461 37.372 4.024 1.00 0.00 C ATOM 1122 NH1 ARG A 70 9.176 37.516 3.850 1.00 0.00 N ATOM 1123 NH2 ARG A 70 11.036 37.589 5.174 1.00 0.00 N ATOM 0 H ARG A 70 11.105 32.574 5.550 1.00 0.00 H new ATOM 0 HA ARG A 70 12.933 31.450 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.068 33.666 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.458 32.985 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.805 34.362 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.376 35.136 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.647 35.483 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.040 35.366 2.280 1.00 0.00 H new ATOM 0 HE ARG A 70 11.841 37.648 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.761 37.333 2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.586 37.811 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.043 37.462 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.479 37.886 5.975 1.00 0.00 H new ATOM 1137 N ALA A 71 14.825 32.860 4.374 1.00 0.00 N ATOM 1138 CA ALA A 71 15.983 33.388 5.105 1.00 0.00 C ATOM 1139 C ALA A 71 16.840 34.234 4.166 1.00 0.00 C ATOM 1140 O ALA A 71 16.804 34.055 2.950 1.00 0.00 O ATOM 1141 CB ALA A 71 16.815 32.206 5.624 1.00 0.00 C ATOM 0 H ALA A 71 15.048 32.418 3.482 1.00 0.00 H new ATOM 0 HA ALA A 71 15.646 34.006 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.680 32.582 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.204 31.595 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.152 31.601 4.782 1.00 0.00 H new ATOM 1147 N ARG A 72 17.588 35.141 4.730 1.00 0.00 N ATOM 1148 CA ARG A 72 18.446 36.002 3.882 1.00 0.00 C ATOM 1149 C ARG A 72 19.327 35.168 2.960 1.00 0.00 C ATOM 1150 O ARG A 72 19.234 33.956 3.073 1.00 0.00 O ATOM 1151 CB ARG A 72 19.334 36.879 4.805 1.00 0.00 C ATOM 1152 CG ARG A 72 20.685 36.185 5.090 1.00 0.00 C ATOM 1153 CD ARG A 72 20.447 34.870 5.843 1.00 0.00 C ATOM 1154 NE ARG A 72 21.742 34.418 6.435 1.00 0.00 N ATOM 1155 CZ ARG A 72 21.808 33.260 7.038 1.00 0.00 C ATOM 1156 NH1 ARG A 72 21.683 32.170 6.331 1.00 0.00 N ATOM 1157 NH2 ARG A 72 22.001 33.233 8.328 1.00 0.00 N ATOM 1158 OXT ARG A 72 20.043 35.788 2.189 1.00 0.00 O ATOM 0 H ARG A 72 17.640 35.320 5.733 1.00 0.00 H new ATOM 0 HA ARG A 72 17.810 36.629 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.509 37.847 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.813 37.070 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.208 35.989 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.324 36.842 5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.702 35.012 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.056 34.111 5.165 1.00 0.00 H new ATOM 0 HE ARG A 72 22.570 35.010 6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.536 32.230 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.732 31.258 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 72 22.097 34.105 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.055 32.339 8.817 1.00 0.00 H new TER 1172 ARG A 72