USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 85 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.17) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 108 ASN : amide:sc= 0.348 X(o=0.35,f=-0.049) USER MOD Set 3.1: A 17 LYS NZ :NH3+ 178:sc= -0.537 (180deg=-0.603) USER MOD Set 3.2: A 34 THR OG1 : rot 170:sc= -0.228 USER MOD Set 4.1: A 26 SER OG : rot 170:sc= 0.0235 USER MOD Set 4.2: A 32 GLN : amide:sc= 0.186 X(o=0.21,f=-0.048) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0.626 (180deg=0.546) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -140:sc= 0.113 USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0.0512 (180deg=0.0505) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.103 X(o=-0.1,f=0.19) USER MOD Single : A 29 ASN : amide:sc= -2.79 K(o=-2.8,f=-8.7!) USER MOD Single : A 31 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.081) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 171:sc= -1.16 USER MOD Single : A 44 SER OG : rot 170:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 60 HIS : no HE2:sc= 0.513 K(o=0.51,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc=-0.00534 X(o=-0.0053,f=-0.34) USER MOD Single : A 65 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.15) USER MOD Single : A 67 ASN : amide:sc= 0.0278 X(o=0.028,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.33) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 175:sc= 1.24 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -19:sc= 0.164 USER MOD Single : A 101 ASN : amide:sc= 0.573 K(o=0.57,f=-0.006) USER MOD Single : A 102 GLN : amide:sc= 0.781 K(o=0.78,f=-0.002) USER MOD Single : A 109 TYR OH : rot 149:sc= 1.75 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -166:sc= -0.0149 (180deg=-0.256) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.137 -4.554 -24.722 1.00 3.32 N ATOM 2 CA GLY A 1 -9.291 -4.924 -23.895 1.00 52.44 C ATOM 3 C GLY A 1 -9.204 -6.390 -23.552 1.00 71.41 C ATOM 4 O GLY A 1 -9.080 -7.203 -24.467 1.00 34.24 O ATOM 0 H1 GLY A 1 -8.078 -3.518 -24.793 1.00 3.32 H new ATOM 0 H2 GLY A 1 -7.266 -4.921 -24.287 1.00 3.32 H new ATOM 0 H3 GLY A 1 -8.247 -4.960 -25.673 1.00 3.32 H new ATOM 0 HA2 GLY A 1 -9.308 -4.325 -22.984 1.00 52.44 H new ATOM 0 HA3 GLY A 1 -10.218 -4.717 -24.430 1.00 52.44 H new ATOM 8 N MET A 2 -9.196 -6.724 -22.260 1.00 62.31 N ATOM 9 CA MET A 2 -8.964 -8.076 -21.768 1.00 54.03 C ATOM 10 C MET A 2 -9.820 -8.293 -20.523 1.00 12.12 C ATOM 11 O MET A 2 -10.134 -7.315 -19.829 1.00 73.55 O ATOM 12 CB MET A 2 -7.484 -8.271 -21.410 1.00 11.41 C ATOM 13 CG MET A 2 -6.469 -7.872 -22.490 1.00 33.30 C ATOM 14 SD MET A 2 -6.101 -6.088 -22.561 1.00 21.10 S ATOM 15 CE MET A 2 -4.815 -6.102 -23.830 1.00 43.11 C ATOM 0 H MET A 2 -9.354 -6.046 -21.515 1.00 62.31 H new ATOM 0 HA MET A 2 -9.230 -8.794 -22.544 1.00 54.03 H new ATOM 0 HB2 MET A 2 -7.270 -7.696 -20.509 1.00 11.41 H new ATOM 0 HB3 MET A 2 -7.326 -9.321 -21.162 1.00 11.41 H new ATOM 0 HG2 MET A 2 -5.540 -8.415 -22.316 1.00 33.30 H new ATOM 0 HG3 MET A 2 -6.847 -8.191 -23.461 1.00 33.30 H new ATOM 0 HE1 MET A 2 -4.467 -5.084 -24.007 1.00 43.11 H new ATOM 0 HE2 MET A 2 -3.980 -6.718 -23.495 1.00 43.11 H new ATOM 0 HE3 MET A 2 -5.221 -6.512 -24.755 1.00 43.11 H new ATOM 23 N THR A 3 -10.170 -9.542 -20.225 1.00 4.33 N ATOM 24 CA THR A 3 -10.992 -9.926 -19.082 1.00 74.41 C ATOM 25 C THR A 3 -10.198 -9.871 -17.766 1.00 31.54 C ATOM 26 O THR A 3 -8.962 -9.900 -17.797 1.00 1.04 O ATOM 27 CB THR A 3 -11.502 -11.359 -19.323 1.00 42.02 C ATOM 28 OG1 THR A 3 -10.442 -12.194 -19.744 1.00 23.53 O ATOM 29 CG2 THR A 3 -12.602 -11.393 -20.381 1.00 31.25 C ATOM 0 H THR A 3 -9.880 -10.339 -20.791 1.00 4.33 H new ATOM 0 HA THR A 3 -11.822 -9.226 -18.989 1.00 74.41 H new ATOM 0 HB THR A 3 -11.910 -11.718 -18.378 1.00 42.02 H new ATOM 0 HG1 THR A 3 -10.780 -13.102 -19.892 1.00 23.53 H new ATOM 0 HG21 THR A 3 -12.937 -12.420 -20.524 1.00 31.25 H new ATOM 0 HG22 THR A 3 -13.441 -10.780 -20.053 1.00 31.25 H new ATOM 0 HG23 THR A 3 -12.214 -11.003 -21.322 1.00 31.25 H new ATOM 37 N PRO A 4 -10.882 -9.857 -16.607 1.00 53.24 N ATOM 38 CA PRO A 4 -10.259 -10.090 -15.315 1.00 53.11 C ATOM 39 C PRO A 4 -9.851 -11.564 -15.184 1.00 10.45 C ATOM 40 O PRO A 4 -10.683 -12.408 -14.846 1.00 23.55 O ATOM 41 CB PRO A 4 -11.306 -9.671 -14.272 1.00 50.13 C ATOM 42 CG PRO A 4 -12.640 -9.881 -14.989 1.00 72.23 C ATOM 43 CD PRO A 4 -12.306 -9.586 -16.449 1.00 11.32 C ATOM 0 HA PRO A 4 -9.342 -9.517 -15.179 1.00 53.11 H new ATOM 0 HB2 PRO A 4 -11.237 -10.278 -13.370 1.00 50.13 H new ATOM 0 HB3 PRO A 4 -11.174 -8.633 -13.968 1.00 50.13 H new ATOM 0 HG2 PRO A 4 -13.011 -10.898 -14.859 1.00 72.23 H new ATOM 0 HG3 PRO A 4 -13.410 -9.210 -14.609 1.00 72.23 H new ATOM 0 HD2 PRO A 4 -12.897 -10.212 -17.117 1.00 11.32 H new ATOM 0 HD3 PRO A 4 -12.534 -8.550 -16.698 1.00 11.32 H new ATOM 48 N GLN A 5 -8.578 -11.868 -15.457 1.00 5.45 N ATOM 49 CA GLN A 5 -7.942 -13.074 -14.973 1.00 51.22 C ATOM 50 C GLN A 5 -7.554 -12.808 -13.522 1.00 52.14 C ATOM 51 O GLN A 5 -7.036 -11.742 -13.189 1.00 2.42 O ATOM 52 CB GLN A 5 -6.722 -13.484 -15.831 1.00 54.03 C ATOM 53 CG GLN A 5 -5.661 -12.402 -16.120 1.00 42.15 C ATOM 54 CD GLN A 5 -4.235 -12.969 -16.110 1.00 62.44 C ATOM 55 OE1 GLN A 5 -3.680 -13.222 -15.040 1.00 30.53 O ATOM 56 NE2 GLN A 5 -3.594 -13.143 -17.256 1.00 41.24 N ATOM 0 H GLN A 5 -7.968 -11.277 -16.022 1.00 5.45 H new ATOM 0 HA GLN A 5 -8.628 -13.918 -15.043 1.00 51.22 H new ATOM 0 HB2 GLN A 5 -6.226 -14.318 -15.334 1.00 54.03 H new ATOM 0 HB3 GLN A 5 -7.092 -13.856 -16.786 1.00 54.03 H new ATOM 0 HG2 GLN A 5 -5.863 -11.948 -17.090 1.00 42.15 H new ATOM 0 HG3 GLN A 5 -5.740 -11.610 -15.375 1.00 42.15 H new ATOM 0 HE21 GLN A 5 -4.060 -12.931 -18.138 1.00 41.24 H new ATOM 0 HE22 GLN A 5 -2.634 -13.489 -17.256 1.00 41.24 H new ATOM 63 N SER A 6 -7.767 -13.801 -12.680 1.00 21.52 N ATOM 64 CA SER A 6 -7.443 -13.844 -11.269 1.00 24.12 C ATOM 65 C SER A 6 -6.496 -14.998 -10.949 1.00 33.21 C ATOM 66 O SER A 6 -6.414 -15.477 -9.816 1.00 63.31 O ATOM 67 CB SER A 6 -8.737 -13.866 -10.470 1.00 72.54 C ATOM 68 OG SER A 6 -9.645 -14.878 -10.869 1.00 53.23 O ATOM 0 H SER A 6 -8.206 -14.667 -12.991 1.00 21.52 H new ATOM 0 HA SER A 6 -6.894 -12.948 -10.980 1.00 24.12 H new ATOM 0 HB2 SER A 6 -8.498 -14.002 -9.415 1.00 72.54 H new ATOM 0 HB3 SER A 6 -9.226 -12.896 -10.564 1.00 72.54 H new ATOM 0 HG SER A 6 -10.450 -14.833 -10.312 1.00 53.23 H new ATOM 73 N ASP A 7 -5.668 -15.345 -11.931 1.00 3.34 N ATOM 74 CA ASP A 7 -4.688 -16.428 -11.897 1.00 54.14 C ATOM 75 C ASP A 7 -3.409 -15.933 -11.203 1.00 41.31 C ATOM 76 O ASP A 7 -2.325 -16.503 -11.352 1.00 72.54 O ATOM 77 CB ASP A 7 -4.390 -16.834 -13.355 1.00 70.34 C ATOM 78 CG ASP A 7 -5.262 -17.995 -13.838 1.00 43.14 C ATOM 79 OD1 ASP A 7 -5.223 -19.066 -13.214 1.00 72.41 O ATOM 80 OD2 ASP A 7 -6.010 -17.791 -14.834 1.00 71.24 O ATOM 0 H ASP A 7 -5.662 -14.850 -12.823 1.00 3.34 H new ATOM 0 HA ASP A 7 -5.068 -17.286 -11.343 1.00 54.14 H new ATOM 0 HB2 ASP A 7 -4.546 -15.974 -14.006 1.00 70.34 H new ATOM 0 HB3 ASP A 7 -3.340 -17.114 -13.442 1.00 70.34 H new ATOM 84 N THR A 8 -3.512 -14.846 -10.440 1.00 64.13 N ATOM 85 CA THR A 8 -2.445 -14.352 -9.586 1.00 65.42 C ATOM 86 C THR A 8 -2.144 -15.375 -8.462 1.00 50.13 C ATOM 87 O THR A 8 -3.036 -16.139 -8.056 1.00 41.05 O ATOM 88 CB THR A 8 -2.803 -12.954 -9.016 1.00 73.31 C ATOM 89 OG1 THR A 8 -4.191 -12.661 -9.080 1.00 53.35 O ATOM 90 CG2 THR A 8 -2.107 -11.827 -9.781 1.00 42.14 C ATOM 0 H THR A 8 -4.357 -14.277 -10.401 1.00 64.13 H new ATOM 0 HA THR A 8 -1.539 -14.235 -10.180 1.00 65.42 H new ATOM 0 HB THR A 8 -2.471 -13.002 -7.979 1.00 73.31 H new ATOM 0 HG1 THR A 8 -4.316 -11.723 -9.335 1.00 53.35 H new ATOM 0 HG21 THR A 8 -2.386 -10.867 -9.348 1.00 42.14 H new ATOM 0 HG22 THR A 8 -1.027 -11.955 -9.714 1.00 42.14 H new ATOM 0 HG23 THR A 8 -2.411 -11.855 -10.827 1.00 42.14 H new ATOM 98 N PRO A 9 -0.914 -15.362 -7.917 1.00 74.22 N ATOM 99 CA PRO A 9 -0.506 -16.148 -6.752 1.00 25.10 C ATOM 100 C PRO A 9 -1.200 -15.666 -5.468 1.00 73.25 C ATOM 101 O PRO A 9 -1.932 -14.667 -5.485 1.00 64.32 O ATOM 102 CB PRO A 9 1.020 -15.999 -6.688 1.00 12.12 C ATOM 103 CG PRO A 9 1.292 -14.663 -7.378 1.00 32.31 C ATOM 104 CD PRO A 9 0.202 -14.585 -8.426 1.00 10.40 C ATOM 0 HA PRO A 9 -0.798 -17.194 -6.841 1.00 25.10 H new ATOM 0 HB2 PRO A 9 1.378 -15.996 -5.658 1.00 12.12 H new ATOM 0 HB3 PRO A 9 1.523 -16.821 -7.198 1.00 12.12 H new ATOM 0 HG2 PRO A 9 1.237 -13.830 -6.677 1.00 32.31 H new ATOM 0 HG3 PRO A 9 2.285 -14.637 -7.827 1.00 32.31 H new ATOM 0 HD2 PRO A 9 -0.094 -13.551 -8.602 1.00 10.40 H new ATOM 0 HD3 PRO A 9 0.550 -14.984 -9.379 1.00 10.40 H new ATOM 109 N LYS A 10 -1.007 -16.376 -4.350 1.00 74.42 N ATOM 110 CA LYS A 10 -1.636 -16.061 -3.063 1.00 41.44 C ATOM 111 C LYS A 10 -0.549 -15.850 -2.026 1.00 70.11 C ATOM 112 O LYS A 10 0.437 -16.586 -1.991 1.00 54.45 O ATOM 113 CB LYS A 10 -2.600 -17.164 -2.609 1.00 24.33 C ATOM 114 CG LYS A 10 -3.938 -17.183 -3.364 1.00 71.44 C ATOM 115 CD LYS A 10 -3.872 -17.868 -4.726 1.00 22.30 C ATOM 116 CE LYS A 10 -5.246 -17.925 -5.400 1.00 4.34 C ATOM 117 NZ LYS A 10 -5.129 -18.368 -6.805 1.00 42.44 N ATOM 0 H LYS A 10 -0.402 -17.196 -4.314 1.00 74.42 H new ATOM 0 HA LYS A 10 -2.227 -15.152 -3.180 1.00 41.44 H new ATOM 0 HB2 LYS A 10 -2.112 -18.131 -2.733 1.00 24.33 H new ATOM 0 HB3 LYS A 10 -2.798 -17.042 -1.544 1.00 24.33 H new ATOM 0 HG2 LYS A 10 -4.683 -17.689 -2.750 1.00 71.44 H new ATOM 0 HG3 LYS A 10 -4.281 -16.157 -3.501 1.00 71.44 H new ATOM 0 HD2 LYS A 10 -3.173 -17.332 -5.369 1.00 22.30 H new ATOM 0 HD3 LYS A 10 -3.484 -18.879 -4.606 1.00 22.30 H new ATOM 0 HE2 LYS A 10 -5.895 -18.608 -4.853 1.00 4.34 H new ATOM 0 HE3 LYS A 10 -5.714 -16.941 -5.363 1.00 4.34 H new ATOM 0 HZ1 LYS A 10 -6.069 -18.366 -7.249 1.00 42.44 H new ATOM 0 HZ2 LYS A 10 -4.500 -17.721 -7.322 1.00 42.44 H new ATOM 0 HZ3 LYS A 10 -4.735 -19.330 -6.834 1.00 42.44 H new ATOM 127 N VAL A 11 -0.684 -14.797 -1.230 1.00 11.24 N ATOM 128 CA VAL A 11 0.321 -14.431 -0.244 1.00 54.34 C ATOM 129 C VAL A 11 0.302 -15.480 0.872 1.00 70.11 C ATOM 130 O VAL A 11 -0.768 -15.956 1.269 1.00 45.21 O ATOM 131 CB VAL A 11 0.036 -12.998 0.242 1.00 32.00 C ATOM 132 CG1 VAL A 11 0.982 -12.550 1.355 1.00 44.44 C ATOM 133 CG2 VAL A 11 0.166 -11.995 -0.920 1.00 44.43 C ATOM 0 H VAL A 11 -1.492 -14.175 -1.251 1.00 11.24 H new ATOM 0 HA VAL A 11 1.329 -14.424 -0.660 1.00 54.34 H new ATOM 0 HB VAL A 11 -0.981 -13.014 0.633 1.00 32.00 H new ATOM 0 HG11 VAL A 11 0.733 -11.533 1.657 1.00 44.44 H new ATOM 0 HG12 VAL A 11 0.879 -13.218 2.211 1.00 44.44 H new ATOM 0 HG13 VAL A 11 2.010 -12.580 0.993 1.00 44.44 H new ATOM 0 HG21 VAL A 11 -0.039 -10.988 -0.556 1.00 44.43 H new ATOM 0 HG22 VAL A 11 1.177 -12.036 -1.324 1.00 44.43 H new ATOM 0 HG23 VAL A 11 -0.548 -12.250 -1.703 1.00 44.43 H new ATOM 143 N THR A 12 1.483 -15.827 1.385 1.00 24.11 N ATOM 144 CA THR A 12 1.653 -16.811 2.450 1.00 10.51 C ATOM 145 C THR A 12 2.517 -16.277 3.599 1.00 71.11 C ATOM 146 O THR A 12 2.572 -16.906 4.662 1.00 62.24 O ATOM 147 CB THR A 12 2.230 -18.115 1.878 1.00 32.14 C ATOM 148 OG1 THR A 12 3.583 -17.967 1.485 1.00 13.51 O ATOM 149 CG2 THR A 12 1.453 -18.630 0.671 1.00 44.22 C ATOM 0 H THR A 12 2.363 -15.423 1.065 1.00 24.11 H new ATOM 0 HA THR A 12 0.669 -17.018 2.872 1.00 10.51 H new ATOM 0 HB THR A 12 2.148 -18.835 2.692 1.00 32.14 H new ATOM 0 HG1 THR A 12 3.915 -18.817 1.128 1.00 13.51 H new ATOM 0 HG21 THR A 12 1.908 -19.553 0.312 1.00 44.22 H new ATOM 0 HG22 THR A 12 0.420 -18.823 0.959 1.00 44.22 H new ATOM 0 HG23 THR A 12 1.475 -17.882 -0.122 1.00 44.22 H new ATOM 157 N GLY A 13 3.174 -15.130 3.419 1.00 11.12 N ATOM 158 CA GLY A 13 3.904 -14.401 4.436 1.00 72.21 C ATOM 159 C GLY A 13 3.587 -12.929 4.238 1.00 34.04 C ATOM 160 O GLY A 13 3.644 -12.436 3.113 1.00 64.04 O ATOM 0 H GLY A 13 3.208 -14.668 2.510 1.00 11.12 H new ATOM 0 HA2 GLY A 13 3.609 -14.729 5.433 1.00 72.21 H new ATOM 0 HA3 GLY A 13 4.975 -14.581 4.346 1.00 72.21 H new ATOM 164 N LEU A 14 3.217 -12.254 5.322 1.00 64.41 N ATOM 165 CA LEU A 14 2.966 -10.826 5.392 1.00 24.02 C ATOM 166 C LEU A 14 3.614 -10.386 6.689 1.00 11.30 C ATOM 167 O LEU A 14 3.158 -10.795 7.763 1.00 1.22 O ATOM 168 CB LEU A 14 1.457 -10.516 5.411 1.00 54.44 C ATOM 169 CG LEU A 14 1.020 -9.848 4.101 1.00 43.25 C ATOM 170 CD1 LEU A 14 -0.490 -9.995 3.917 1.00 23.13 C ATOM 171 CD2 LEU A 14 1.362 -8.357 4.103 1.00 34.32 C ATOM 0 H LEU A 14 3.078 -12.717 6.220 1.00 64.41 H new ATOM 0 HA LEU A 14 3.367 -10.305 4.523 1.00 24.02 H new ATOM 0 HB2 LEU A 14 0.894 -11.437 5.560 1.00 54.44 H new ATOM 0 HB3 LEU A 14 1.226 -9.862 6.252 1.00 54.44 H new ATOM 0 HG LEU A 14 1.552 -10.339 3.286 1.00 43.25 H new ATOM 0 HD11 LEU A 14 -0.791 -9.518 2.984 1.00 23.13 H new ATOM 0 HD12 LEU A 14 -0.751 -11.053 3.884 1.00 23.13 H new ATOM 0 HD13 LEU A 14 -1.006 -9.519 4.751 1.00 23.13 H new ATOM 0 HD21 LEU A 14 1.041 -7.909 3.163 1.00 34.32 H new ATOM 0 HD22 LEU A 14 0.850 -7.867 4.932 1.00 34.32 H new ATOM 0 HD23 LEU A 14 2.439 -8.231 4.216 1.00 34.32 H new ATOM 182 N LYS A 15 4.698 -9.622 6.614 1.00 30.32 N ATOM 183 CA LYS A 15 5.428 -9.189 7.801 1.00 14.50 C ATOM 184 C LYS A 15 5.780 -7.733 7.655 1.00 63.01 C ATOM 185 O LYS A 15 5.527 -7.157 6.620 1.00 43.53 O ATOM 186 CB LYS A 15 6.674 -10.069 7.987 1.00 5.40 C ATOM 187 CG LYS A 15 6.561 -10.884 9.287 1.00 1.33 C ATOM 188 CD LYS A 15 6.749 -10.024 10.544 1.00 44.45 C ATOM 189 CE LYS A 15 5.427 -9.677 11.238 1.00 31.33 C ATOM 190 NZ LYS A 15 4.982 -10.732 12.166 1.00 44.25 N ATOM 0 H LYS A 15 5.094 -9.287 5.736 1.00 30.32 H new ATOM 0 HA LYS A 15 4.812 -9.300 8.694 1.00 14.50 H new ATOM 0 HB2 LYS A 15 6.783 -10.742 7.136 1.00 5.40 H new ATOM 0 HB3 LYS A 15 7.567 -9.445 8.017 1.00 5.40 H new ATOM 0 HG2 LYS A 15 5.584 -11.366 9.325 1.00 1.33 H new ATOM 0 HG3 LYS A 15 7.308 -11.677 9.280 1.00 1.33 H new ATOM 0 HD2 LYS A 15 7.393 -10.553 11.246 1.00 44.45 H new ATOM 0 HD3 LYS A 15 7.263 -9.102 10.273 1.00 44.45 H new ATOM 0 HE2 LYS A 15 5.542 -8.741 11.785 1.00 31.33 H new ATOM 0 HE3 LYS A 15 4.657 -9.512 10.484 1.00 31.33 H new ATOM 0 HZ1 LYS A 15 4.085 -10.449 12.609 1.00 44.25 H new ATOM 0 HZ2 LYS A 15 4.845 -11.620 11.642 1.00 44.25 H new ATOM 0 HZ3 LYS A 15 5.702 -10.873 12.903 1.00 44.25 H new ATOM 200 N LEU A 16 6.272 -7.084 8.704 1.00 42.13 N ATOM 201 CA LEU A 16 6.581 -5.687 8.727 1.00 31.34 C ATOM 202 C LEU A 16 7.530 -5.345 9.856 1.00 73.23 C ATOM 203 O LEU A 16 7.845 -6.188 10.704 1.00 72.12 O ATOM 204 CB LEU A 16 5.319 -4.878 8.717 1.00 25.33 C ATOM 205 CG LEU A 16 4.168 -5.380 9.591 1.00 53.55 C ATOM 206 CD1 LEU A 16 3.935 -4.232 10.537 1.00 22.33 C ATOM 207 CD2 LEU A 16 3.030 -5.720 8.629 1.00 14.21 C ATOM 0 H LEU A 16 6.469 -7.549 9.590 1.00 42.13 H new ATOM 0 HA LEU A 16 7.122 -5.422 7.819 1.00 31.34 H new ATOM 0 HB2 LEU A 16 5.564 -3.863 9.029 1.00 25.33 H new ATOM 0 HB3 LEU A 16 4.963 -4.818 7.689 1.00 25.33 H new ATOM 0 HG LEU A 16 4.321 -6.281 10.185 1.00 53.55 H new ATOM 0 HD11 LEU A 16 3.122 -4.482 11.219 1.00 22.33 H new ATOM 0 HD12 LEU A 16 4.843 -4.042 11.109 1.00 22.33 H new ATOM 0 HD13 LEU A 16 3.671 -3.340 9.969 1.00 22.33 H new ATOM 0 HD21 LEU A 16 2.173 -6.086 9.194 1.00 14.21 H new ATOM 0 HD22 LEU A 16 2.744 -4.827 8.074 1.00 14.21 H new ATOM 0 HD23 LEU A 16 3.361 -6.490 7.932 1.00 14.21 H new ATOM 218 N LYS A 17 8.035 -4.119 9.746 1.00 13.32 N ATOM 219 CA LYS A 17 9.299 -3.660 10.293 1.00 22.14 C ATOM 220 C LYS A 17 9.124 -2.212 10.765 1.00 5.14 C ATOM 221 O LYS A 17 8.836 -1.329 9.950 1.00 1.53 O ATOM 222 CB LYS A 17 10.369 -3.866 9.199 1.00 14.42 C ATOM 223 CG LYS A 17 10.048 -3.215 7.824 1.00 41.24 C ATOM 224 CD LYS A 17 9.892 -4.248 6.696 1.00 52.14 C ATOM 225 CE LYS A 17 11.290 -4.728 6.269 1.00 62.14 C ATOM 226 NZ LYS A 17 11.666 -4.454 4.863 1.00 72.15 N ATOM 0 H LYS A 17 7.542 -3.381 9.243 1.00 13.32 H new ATOM 0 HA LYS A 17 9.628 -4.218 11.170 1.00 22.14 H new ATOM 0 HB2 LYS A 17 11.316 -3.465 9.560 1.00 14.42 H new ATOM 0 HB3 LYS A 17 10.512 -4.936 9.051 1.00 14.42 H new ATOM 0 HG2 LYS A 17 9.129 -2.634 7.908 1.00 41.24 H new ATOM 0 HG3 LYS A 17 10.844 -2.517 7.563 1.00 41.24 H new ATOM 0 HD2 LYS A 17 9.291 -5.091 7.036 1.00 52.14 H new ATOM 0 HD3 LYS A 17 9.369 -3.805 5.848 1.00 52.14 H new ATOM 0 HE2 LYS A 17 12.028 -4.260 6.920 1.00 62.14 H new ATOM 0 HE3 LYS A 17 11.351 -5.803 6.438 1.00 62.14 H new ATOM 0 HZ1 LYS A 17 12.636 -4.787 4.692 1.00 72.15 H new ATOM 0 HZ2 LYS A 17 11.012 -4.951 4.225 1.00 72.15 H new ATOM 0 HZ3 LYS A 17 11.615 -3.431 4.683 1.00 72.15 H new ATOM 236 N ARG A 18 9.146 -1.958 12.078 1.00 14.43 N ATOM 237 CA ARG A 18 8.622 -0.687 12.604 1.00 1.44 C ATOM 238 C ARG A 18 9.629 0.453 12.594 1.00 72.14 C ATOM 239 O ARG A 18 9.216 1.602 12.598 1.00 21.33 O ATOM 240 CB ARG A 18 7.919 -0.886 13.968 1.00 63.13 C ATOM 241 CG ARG A 18 8.754 -1.269 15.202 1.00 64.23 C ATOM 242 CD ARG A 18 7.840 -2.050 16.169 1.00 72.05 C ATOM 243 NE ARG A 18 8.382 -2.177 17.529 1.00 41.55 N ATOM 244 CZ ARG A 18 7.975 -3.053 18.459 1.00 45.21 C ATOM 245 NH1 ARG A 18 7.249 -4.128 18.167 1.00 13.40 N ATOM 246 NH2 ARG A 18 8.292 -2.881 19.732 1.00 61.22 N ATOM 0 H ARG A 18 9.511 -2.597 12.784 1.00 14.43 H new ATOM 0 HA ARG A 18 7.857 -0.358 11.901 1.00 1.44 H new ATOM 0 HB2 ARG A 18 7.394 0.040 14.203 1.00 63.13 H new ATOM 0 HB3 ARG A 18 7.160 -1.657 13.835 1.00 63.13 H new ATOM 0 HG2 ARG A 18 9.609 -1.878 14.910 1.00 64.23 H new ATOM 0 HG3 ARG A 18 9.149 -0.377 15.687 1.00 64.23 H new ATOM 0 HD2 ARG A 18 6.871 -1.552 16.219 1.00 72.05 H new ATOM 0 HD3 ARG A 18 7.666 -3.047 15.763 1.00 72.05 H new ATOM 0 HE ARG A 18 9.136 -1.541 17.789 1.00 41.55 H new ATOM 0 HH11 ARG A 18 6.979 -4.314 17.201 1.00 13.40 H new ATOM 0 HH12 ARG A 18 6.962 -4.767 18.909 1.00 13.40 H new ATOM 0 HH21 ARG A 18 8.851 -2.076 20.014 1.00 61.22 H new ATOM 0 HH22 ARG A 18 7.977 -3.553 20.431 1.00 61.22 H new ATOM 257 N LYS A 19 10.931 0.189 12.478 1.00 53.21 N ATOM 258 CA LYS A 19 11.931 1.253 12.361 1.00 12.11 C ATOM 259 C LYS A 19 11.922 1.911 10.981 1.00 23.02 C ATOM 260 O LYS A 19 12.479 2.996 10.849 1.00 63.15 O ATOM 261 CB LYS A 19 13.324 0.697 12.662 1.00 73.42 C ATOM 262 CG LYS A 19 13.596 0.581 14.177 1.00 4.11 C ATOM 263 CD LYS A 19 13.809 -0.852 14.676 1.00 44.44 C ATOM 264 CE LYS A 19 12.553 -1.714 14.499 1.00 51.35 C ATOM 265 NZ LYS A 19 12.579 -2.908 15.368 1.00 21.30 N ATOM 0 H LYS A 19 11.319 -0.754 12.462 1.00 53.21 H new ATOM 0 HA LYS A 19 11.672 2.021 13.090 1.00 12.11 H new ATOM 0 HB2 LYS A 19 13.428 -0.285 12.201 1.00 73.42 H new ATOM 0 HB3 LYS A 19 14.076 1.343 12.209 1.00 73.42 H new ATOM 0 HG2 LYS A 19 14.478 1.172 14.421 1.00 4.11 H new ATOM 0 HG3 LYS A 19 12.758 1.020 14.719 1.00 4.11 H new ATOM 0 HD2 LYS A 19 14.639 -1.305 14.134 1.00 44.44 H new ATOM 0 HD3 LYS A 19 14.089 -0.831 15.729 1.00 44.44 H new ATOM 0 HE2 LYS A 19 11.669 -1.119 14.726 1.00 51.35 H new ATOM 0 HE3 LYS A 19 12.469 -2.024 13.458 1.00 51.35 H new ATOM 0 HZ1 LYS A 19 11.713 -3.465 15.219 1.00 21.30 H new ATOM 0 HZ2 LYS A 19 13.409 -3.490 15.134 1.00 21.30 H new ATOM 0 HZ3 LYS A 19 12.633 -2.612 16.363 1.00 21.30 H new ATOM 275 N SER A 20 11.306 1.280 9.978 1.00 1.10 N ATOM 276 CA SER A 20 11.378 1.707 8.582 1.00 45.11 C ATOM 277 C SER A 20 9.990 1.962 7.985 1.00 63.35 C ATOM 278 O SER A 20 9.887 2.373 6.836 1.00 13.53 O ATOM 279 CB SER A 20 12.140 0.639 7.787 1.00 45.23 C ATOM 280 OG SER A 20 13.322 0.230 8.462 1.00 1.13 O ATOM 0 H SER A 20 10.735 0.446 10.117 1.00 1.10 H new ATOM 0 HA SER A 20 11.908 2.658 8.527 1.00 45.11 H new ATOM 0 HB2 SER A 20 11.495 -0.225 7.625 1.00 45.23 H new ATOM 0 HB3 SER A 20 12.399 1.032 6.804 1.00 45.23 H new ATOM 0 HG SER A 20 13.783 -0.452 7.930 1.00 1.13 H new ATOM 285 N ARG A 21 8.916 1.731 8.755 1.00 61.35 N ATOM 286 CA ARG A 21 7.526 1.919 8.295 1.00 24.20 C ATOM 287 C ARG A 21 7.314 1.305 6.901 1.00 23.44 C ATOM 288 O ARG A 21 6.975 1.971 5.924 1.00 22.20 O ATOM 289 CB ARG A 21 7.135 3.409 8.330 1.00 45.14 C ATOM 290 CG ARG A 21 6.726 3.959 9.697 1.00 41.32 C ATOM 291 CD ARG A 21 7.807 3.989 10.770 1.00 25.31 C ATOM 292 NE ARG A 21 9.013 4.719 10.360 1.00 5.52 N ATOM 293 CZ ARG A 21 10.018 5.068 11.170 1.00 33.00 C ATOM 294 NH1 ARG A 21 9.946 4.791 12.473 1.00 64.22 N ATOM 295 NH2 ARG A 21 11.087 5.656 10.648 1.00 72.34 N ATOM 0 H ARG A 21 8.985 1.407 9.720 1.00 61.35 H new ATOM 0 HA ARG A 21 6.865 1.390 8.982 1.00 24.20 H new ATOM 0 HB2 ARG A 21 7.977 3.995 7.961 1.00 45.14 H new ATOM 0 HB3 ARG A 21 6.310 3.565 7.635 1.00 45.14 H new ATOM 0 HG2 ARG A 21 6.355 4.974 9.559 1.00 41.32 H new ATOM 0 HG3 ARG A 21 5.893 3.363 10.069 1.00 41.32 H new ATOM 0 HD2 ARG A 21 7.402 4.449 11.671 1.00 25.31 H new ATOM 0 HD3 ARG A 21 8.080 2.966 11.029 1.00 25.31 H new ATOM 0 HE ARG A 21 9.091 4.981 9.377 1.00 5.52 H new ATOM 0 HH11 ARG A 21 9.126 4.314 12.849 1.00 64.22 H new ATOM 0 HH12 ARG A 21 10.711 5.056 13.094 1.00 64.22 H new ATOM 0 HH21 ARG A 21 11.132 5.835 9.645 1.00 72.34 H new ATOM 0 HH22 ARG A 21 11.864 5.929 11.250 1.00 72.34 H new ATOM 306 N GLN A 22 7.494 -0.007 6.810 1.00 24.30 N ATOM 307 CA GLN A 22 7.452 -0.781 5.579 1.00 12.23 C ATOM 308 C GLN A 22 6.837 -2.146 5.893 1.00 52.34 C ATOM 309 O GLN A 22 6.844 -2.583 7.051 1.00 13.22 O ATOM 310 CB GLN A 22 8.885 -0.902 5.037 1.00 22.41 C ATOM 311 CG GLN A 22 9.281 0.245 4.100 1.00 73.15 C ATOM 312 CD GLN A 22 10.790 0.473 4.068 1.00 43.31 C ATOM 313 OE1 GLN A 22 11.287 1.436 4.636 1.00 72.43 O ATOM 314 NE2 GLN A 22 11.556 -0.391 3.429 1.00 41.53 N ATOM 0 H GLN A 22 7.681 -0.585 7.630 1.00 24.30 H new ATOM 0 HA GLN A 22 6.841 -0.301 4.815 1.00 12.23 H new ATOM 0 HB2 GLN A 22 9.581 -0.933 5.875 1.00 22.41 H new ATOM 0 HB3 GLN A 22 8.985 -1.848 4.504 1.00 22.41 H new ATOM 0 HG2 GLN A 22 8.927 0.026 3.092 1.00 73.15 H new ATOM 0 HG3 GLN A 22 8.784 1.161 4.420 1.00 73.15 H new ATOM 0 HE21 GLN A 22 11.137 -1.192 2.957 1.00 41.53 H new ATOM 0 HE22 GLN A 22 12.567 -0.258 3.407 1.00 41.53 H new ATOM 321 N LEU A 23 6.328 -2.831 4.879 1.00 3.43 N ATOM 322 CA LEU A 23 5.634 -4.102 4.977 1.00 41.41 C ATOM 323 C LEU A 23 6.161 -5.038 3.907 1.00 54.21 C ATOM 324 O LEU A 23 6.295 -4.645 2.758 1.00 34.11 O ATOM 325 CB LEU A 23 4.112 -3.845 4.905 1.00 33.01 C ATOM 326 CG LEU A 23 3.187 -5.047 4.626 1.00 43.54 C ATOM 327 CD1 LEU A 23 1.781 -4.794 5.186 1.00 31.11 C ATOM 328 CD2 LEU A 23 3.007 -5.233 3.122 1.00 42.43 C ATOM 0 H LEU A 23 6.393 -2.496 3.918 1.00 3.43 H new ATOM 0 HA LEU A 23 5.819 -4.596 5.931 1.00 41.41 H new ATOM 0 HB2 LEU A 23 3.804 -3.399 5.850 1.00 33.01 H new ATOM 0 HB3 LEU A 23 3.935 -3.101 4.129 1.00 33.01 H new ATOM 0 HG LEU A 23 3.647 -5.918 5.092 1.00 43.54 H new ATOM 0 HD11 LEU A 23 1.146 -5.655 4.977 1.00 31.11 H new ATOM 0 HD12 LEU A 23 1.841 -4.640 6.263 1.00 31.11 H new ATOM 0 HD13 LEU A 23 1.356 -3.907 4.715 1.00 31.11 H new ATOM 0 HD21 LEU A 23 2.352 -6.084 2.936 1.00 42.43 H new ATOM 0 HD22 LEU A 23 2.563 -4.334 2.695 1.00 42.43 H new ATOM 0 HD23 LEU A 23 3.977 -5.414 2.659 1.00 42.43 H new ATOM 339 N GLU A 24 6.467 -6.263 4.304 1.00 64.23 N ATOM 340 CA GLU A 24 6.997 -7.332 3.470 1.00 33.22 C ATOM 341 C GLU A 24 5.897 -8.302 3.092 1.00 4.13 C ATOM 342 O GLU A 24 5.026 -8.614 3.908 1.00 5.40 O ATOM 343 CB GLU A 24 8.094 -8.122 4.191 1.00 13.41 C ATOM 344 CG GLU A 24 9.307 -7.231 4.424 1.00 32.00 C ATOM 345 CD GLU A 24 10.624 -7.999 4.543 1.00 72.11 C ATOM 346 OE1 GLU A 24 10.900 -8.940 3.771 1.00 72.02 O ATOM 347 OE2 GLU A 24 11.427 -7.634 5.433 1.00 71.34 O ATOM 0 H GLU A 24 6.345 -6.556 5.274 1.00 64.23 H new ATOM 0 HA GLU A 24 7.416 -6.860 2.581 1.00 33.22 H new ATOM 0 HB2 GLU A 24 7.718 -8.496 5.143 1.00 13.41 H new ATOM 0 HB3 GLU A 24 8.379 -8.991 3.597 1.00 13.41 H new ATOM 0 HG2 GLU A 24 9.386 -6.519 3.603 1.00 32.00 H new ATOM 0 HG3 GLU A 24 9.151 -6.652 5.334 1.00 32.00 H new ATOM 352 N ILE A 25 5.995 -8.822 1.876 1.00 63.43 N ATOM 353 CA ILE A 25 5.058 -9.766 1.274 1.00 25.33 C ATOM 354 C ILE A 25 5.841 -10.886 0.624 1.00 32.44 C ATOM 355 O ILE A 25 7.021 -10.762 0.291 1.00 31.02 O ATOM 356 CB ILE A 25 4.162 -8.998 0.265 1.00 25.23 C ATOM 357 CG1 ILE A 25 3.269 -7.943 0.958 1.00 25.22 C ATOM 358 CG2 ILE A 25 3.242 -9.895 -0.582 1.00 42.44 C ATOM 359 CD1 ILE A 25 3.090 -6.686 0.106 1.00 45.24 C ATOM 0 H ILE A 25 6.766 -8.587 1.251 1.00 63.43 H new ATOM 0 HA ILE A 25 4.405 -10.216 2.022 1.00 25.33 H new ATOM 0 HB ILE A 25 4.885 -8.521 -0.397 1.00 25.23 H new ATOM 0 HG12 ILE A 25 2.292 -8.379 1.169 1.00 25.22 H new ATOM 0 HG13 ILE A 25 3.710 -7.670 1.917 1.00 25.22 H new ATOM 0 HG21 ILE A 25 2.653 -9.276 -1.258 1.00 42.44 H new ATOM 0 HG22 ILE A 25 3.847 -10.592 -1.162 1.00 42.44 H new ATOM 0 HG23 ILE A 25 2.574 -10.453 0.074 1.00 42.44 H new ATOM 0 HD11 ILE A 25 2.455 -5.975 0.635 1.00 45.24 H new ATOM 0 HD12 ILE A 25 4.063 -6.233 -0.083 1.00 45.24 H new ATOM 0 HD13 ILE A 25 2.624 -6.953 -0.842 1.00 45.24 H new ATOM 370 N SER A 26 5.193 -12.043 0.557 1.00 51.55 N ATOM 371 CA SER A 26 5.817 -13.297 0.239 1.00 74.02 C ATOM 372 C SER A 26 4.757 -14.231 -0.339 1.00 13.10 C ATOM 373 O SER A 26 3.755 -14.523 0.323 1.00 1.40 O ATOM 374 CB SER A 26 6.408 -13.856 1.529 1.00 72.43 C ATOM 375 OG SER A 26 7.225 -12.939 2.252 1.00 24.22 O ATOM 0 H SER A 26 4.191 -12.124 0.729 1.00 51.55 H new ATOM 0 HA SER A 26 6.611 -13.184 -0.499 1.00 74.02 H new ATOM 0 HB2 SER A 26 5.593 -14.184 2.175 1.00 72.43 H new ATOM 0 HB3 SER A 26 7.000 -14.739 1.289 1.00 72.43 H new ATOM 0 HG SER A 26 7.432 -13.311 3.135 1.00 24.22 H new ATOM 380 N PHE A 27 4.944 -14.628 -1.592 1.00 2.40 N ATOM 381 CA PHE A 27 3.979 -15.405 -2.356 1.00 22.02 C ATOM 382 C PHE A 27 4.236 -16.896 -2.213 1.00 30.33 C ATOM 383 O PHE A 27 5.370 -17.323 -2.024 1.00 22.10 O ATOM 384 CB PHE A 27 4.018 -14.999 -3.838 1.00 54.25 C ATOM 385 CG PHE A 27 3.074 -13.864 -4.162 1.00 14.34 C ATOM 386 CD1 PHE A 27 1.705 -14.040 -3.908 1.00 4.22 C ATOM 387 CD2 PHE A 27 3.522 -12.660 -4.727 1.00 63.35 C ATOM 388 CE1 PHE A 27 0.783 -13.019 -4.168 1.00 25.23 C ATOM 389 CE2 PHE A 27 2.595 -11.643 -5.018 1.00 72.45 C ATOM 390 CZ PHE A 27 1.230 -11.811 -4.718 1.00 11.10 C ATOM 0 H PHE A 27 5.792 -14.413 -2.117 1.00 2.40 H new ATOM 0 HA PHE A 27 2.987 -15.193 -1.957 1.00 22.02 H new ATOM 0 HB2 PHE A 27 5.034 -14.707 -4.103 1.00 54.25 H new ATOM 0 HB3 PHE A 27 3.764 -15.863 -4.453 1.00 54.25 H new ATOM 0 HD1 PHE A 27 1.357 -14.979 -3.505 1.00 4.22 H new ATOM 0 HD2 PHE A 27 4.571 -12.515 -4.937 1.00 63.35 H new ATOM 0 HE1 PHE A 27 -0.264 -13.162 -3.946 1.00 25.23 H new ATOM 0 HE2 PHE A 27 2.933 -10.725 -5.476 1.00 72.45 H new ATOM 0 HZ PHE A 27 0.530 -11.011 -4.911 1.00 11.10 H new ATOM 399 N ASP A 28 3.182 -17.688 -2.404 1.00 11.21 N ATOM 400 CA ASP A 28 3.239 -19.144 -2.491 1.00 22.31 C ATOM 401 C ASP A 28 4.167 -19.593 -3.613 1.00 63.02 C ATOM 402 O ASP A 28 4.862 -20.599 -3.468 1.00 2.23 O ATOM 403 CB ASP A 28 1.835 -19.757 -2.686 1.00 2.12 C ATOM 404 CG ASP A 28 1.013 -19.257 -3.879 1.00 73.14 C ATOM 405 OD1 ASP A 28 1.356 -18.237 -4.519 1.00 65.24 O ATOM 406 OD2 ASP A 28 -0.060 -19.859 -4.114 1.00 74.45 O ATOM 0 H ASP A 28 2.236 -17.321 -2.505 1.00 11.21 H new ATOM 0 HA ASP A 28 3.639 -19.505 -1.543 1.00 22.31 H new ATOM 0 HB2 ASP A 28 1.948 -20.837 -2.782 1.00 2.12 H new ATOM 0 HB3 ASP A 28 1.258 -19.576 -1.779 1.00 2.12 H new ATOM 410 N ASN A 29 4.213 -18.835 -4.711 1.00 73.25 N ATOM 411 CA ASN A 29 5.090 -19.132 -5.838 1.00 2.22 C ATOM 412 C ASN A 29 6.571 -18.868 -5.536 1.00 25.01 C ATOM 413 O ASN A 29 7.408 -19.345 -6.298 1.00 25.13 O ATOM 414 CB ASN A 29 4.643 -18.371 -7.098 1.00 41.23 C ATOM 415 CG ASN A 29 5.160 -16.936 -7.172 1.00 74.54 C ATOM 416 OD1 ASN A 29 6.347 -16.666 -7.205 1.00 63.42 O ATOM 417 ND2 ASN A 29 4.287 -15.952 -7.185 1.00 13.23 N ATOM 0 H ASN A 29 3.642 -17.999 -4.841 1.00 73.25 H new ATOM 0 HA ASN A 29 5.000 -20.202 -6.023 1.00 2.22 H new ATOM 0 HB2 ASN A 29 4.984 -18.915 -7.979 1.00 41.23 H new ATOM 0 HB3 ASN A 29 3.554 -18.356 -7.134 1.00 41.23 H new ATOM 0 HD21 ASN A 29 4.609 -14.985 -7.222 1.00 13.23 H new ATOM 0 HD22 ASN A 29 3.288 -16.156 -7.158 1.00 13.23 H new ATOM 423 N GLY A 30 6.909 -18.116 -4.482 1.00 53.15 N ATOM 424 CA GLY A 30 8.278 -17.822 -4.079 1.00 33.24 C ATOM 425 C GLY A 30 8.725 -16.372 -4.289 1.00 70.05 C ATOM 426 O GLY A 30 9.683 -15.948 -3.634 1.00 54.44 O ATOM 0 H GLY A 30 6.214 -17.686 -3.872 1.00 53.15 H new ATOM 0 HA2 GLY A 30 8.390 -18.070 -3.024 1.00 33.24 H new ATOM 0 HA3 GLY A 30 8.951 -18.476 -4.633 1.00 33.24 H new ATOM 430 N GLN A 31 8.067 -15.568 -5.136 1.00 50.12 N ATOM 431 CA GLN A 31 8.382 -14.132 -5.213 1.00 21.32 C ATOM 432 C GLN A 31 8.152 -13.455 -3.851 1.00 43.12 C ATOM 433 O GLN A 31 7.360 -13.934 -3.032 1.00 2.31 O ATOM 434 CB GLN A 31 7.589 -13.416 -6.322 1.00 11.31 C ATOM 435 CG GLN A 31 7.942 -13.827 -7.760 1.00 33.50 C ATOM 436 CD GLN A 31 9.380 -13.521 -8.159 1.00 2.40 C ATOM 437 OE1 GLN A 31 9.671 -12.499 -8.777 1.00 1.04 O ATOM 438 NE2 GLN A 31 10.316 -14.408 -7.886 1.00 74.21 N ATOM 0 H GLN A 31 7.327 -15.878 -5.766 1.00 50.12 H new ATOM 0 HA GLN A 31 9.437 -14.047 -5.474 1.00 21.32 H new ATOM 0 HB2 GLN A 31 6.527 -13.599 -6.161 1.00 11.31 H new ATOM 0 HB3 GLN A 31 7.746 -12.342 -6.221 1.00 11.31 H new ATOM 0 HG2 GLN A 31 7.764 -14.896 -7.875 1.00 33.50 H new ATOM 0 HG3 GLN A 31 7.269 -13.316 -8.448 1.00 33.50 H new ATOM 0 HE21 GLN A 31 10.080 -15.258 -7.373 1.00 74.21 H new ATOM 0 HE22 GLN A 31 11.277 -14.245 -8.187 1.00 74.21 H new ATOM 445 N GLN A 32 8.872 -12.362 -3.598 1.00 1.42 N ATOM 446 CA GLN A 32 8.967 -11.711 -2.294 1.00 43.21 C ATOM 447 C GLN A 32 9.354 -10.238 -2.493 1.00 22.40 C ATOM 448 O GLN A 32 10.139 -9.945 -3.396 1.00 3.12 O ATOM 449 CB GLN A 32 10.049 -12.453 -1.474 1.00 42.44 C ATOM 450 CG GLN A 32 9.540 -12.810 -0.078 1.00 72.13 C ATOM 451 CD GLN A 32 10.506 -13.656 0.747 1.00 44.55 C ATOM 452 OE1 GLN A 32 11.689 -13.786 0.439 1.00 53.41 O ATOM 453 NE2 GLN A 32 10.029 -14.217 1.844 1.00 11.32 N ATOM 0 H GLN A 32 9.421 -11.892 -4.318 1.00 1.42 H new ATOM 0 HA GLN A 32 8.015 -11.747 -1.765 1.00 43.21 H new ATOM 0 HB2 GLN A 32 10.347 -13.361 -1.998 1.00 42.44 H new ATOM 0 HB3 GLN A 32 10.938 -11.827 -1.390 1.00 42.44 H new ATOM 0 HG2 GLN A 32 9.328 -11.889 0.465 1.00 72.13 H new ATOM 0 HG3 GLN A 32 8.597 -13.347 -0.175 1.00 72.13 H new ATOM 0 HE21 GLN A 32 9.046 -14.102 2.089 1.00 11.32 H new ATOM 0 HE22 GLN A 32 10.644 -14.765 2.446 1.00 11.32 H new ATOM 460 N PHE A 33 8.821 -9.318 -1.677 1.00 23.22 N ATOM 461 CA PHE A 33 9.043 -7.877 -1.827 1.00 45.32 C ATOM 462 C PHE A 33 8.736 -7.094 -0.542 1.00 22.13 C ATOM 463 O PHE A 33 8.199 -7.665 0.409 1.00 32.23 O ATOM 464 CB PHE A 33 8.209 -7.334 -2.999 1.00 72.13 C ATOM 465 CG PHE A 33 6.803 -7.877 -3.172 1.00 51.24 C ATOM 466 CD1 PHE A 33 6.590 -8.999 -3.991 1.00 70.31 C ATOM 467 CD2 PHE A 33 5.700 -7.194 -2.633 1.00 52.43 C ATOM 468 CE1 PHE A 33 5.286 -9.432 -4.279 1.00 42.31 C ATOM 469 CE2 PHE A 33 4.395 -7.610 -2.952 1.00 50.12 C ATOM 470 CZ PHE A 33 4.183 -8.733 -3.764 1.00 14.41 C ATOM 0 H PHE A 33 8.219 -9.557 -0.889 1.00 23.22 H new ATOM 0 HA PHE A 33 10.103 -7.735 -2.037 1.00 45.32 H new ATOM 0 HB2 PHE A 33 8.140 -6.252 -2.889 1.00 72.13 H new ATOM 0 HB3 PHE A 33 8.759 -7.526 -3.920 1.00 72.13 H new ATOM 0 HD1 PHE A 33 7.435 -9.532 -4.402 1.00 70.31 H new ATOM 0 HD2 PHE A 33 5.854 -6.351 -1.975 1.00 52.43 H new ATOM 0 HE1 PHE A 33 5.131 -10.304 -4.897 1.00 42.31 H new ATOM 0 HE2 PHE A 33 3.549 -7.060 -2.568 1.00 50.12 H new ATOM 0 HZ PHE A 33 3.178 -9.058 -3.992 1.00 14.41 H new ATOM 479 N THR A 34 9.021 -5.782 -0.525 1.00 50.43 N ATOM 480 CA THR A 34 8.611 -4.852 0.524 1.00 25.33 C ATOM 481 C THR A 34 7.924 -3.641 -0.128 1.00 65.03 C ATOM 482 O THR A 34 8.369 -3.193 -1.179 1.00 43.31 O ATOM 483 CB THR A 34 9.822 -4.378 1.359 1.00 23.23 C ATOM 484 OG1 THR A 34 10.649 -5.398 1.880 1.00 73.43 O ATOM 485 CG2 THR A 34 9.361 -3.635 2.605 1.00 3.40 C ATOM 0 H THR A 34 9.559 -5.332 -1.265 1.00 50.43 H new ATOM 0 HA THR A 34 7.922 -5.363 1.196 1.00 25.33 H new ATOM 0 HB THR A 34 10.379 -3.777 0.640 1.00 23.23 H new ATOM 0 HG1 THR A 34 11.465 -5.001 2.250 1.00 73.43 H new ATOM 0 HG21 THR A 34 10.230 -3.311 3.178 1.00 3.40 H new ATOM 0 HG22 THR A 34 8.773 -2.765 2.313 1.00 3.40 H new ATOM 0 HG23 THR A 34 8.749 -4.297 3.218 1.00 3.40 H new ATOM 493 N LEU A 35 6.903 -3.071 0.523 1.00 43.55 N ATOM 494 CA LEU A 35 6.260 -1.793 0.212 1.00 70.21 C ATOM 495 C LEU A 35 6.352 -0.825 1.397 1.00 10.24 C ATOM 496 O LEU A 35 6.520 -1.256 2.540 1.00 31.44 O ATOM 497 CB LEU A 35 4.784 -2.062 -0.110 1.00 31.40 C ATOM 498 CG LEU A 35 4.581 -2.486 -1.573 1.00 70.21 C ATOM 499 CD1 LEU A 35 3.219 -3.165 -1.701 1.00 45.34 C ATOM 500 CD2 LEU A 35 4.629 -1.259 -2.484 1.00 63.24 C ATOM 0 H LEU A 35 6.478 -3.521 1.334 1.00 43.55 H new ATOM 0 HA LEU A 35 6.767 -1.336 -0.638 1.00 70.21 H new ATOM 0 HB2 LEU A 35 4.406 -2.843 0.549 1.00 31.40 H new ATOM 0 HB3 LEU A 35 4.200 -1.164 0.091 1.00 31.40 H new ATOM 0 HG LEU A 35 5.372 -3.175 -1.869 1.00 70.21 H new ATOM 0 HD11 LEU A 35 3.061 -3.472 -2.735 1.00 45.34 H new ATOM 0 HD12 LEU A 35 3.187 -4.041 -1.054 1.00 45.34 H new ATOM 0 HD13 LEU A 35 2.435 -2.467 -1.406 1.00 45.34 H new ATOM 0 HD21 LEU A 35 4.484 -1.568 -3.519 1.00 63.24 H new ATOM 0 HD22 LEU A 35 3.839 -0.563 -2.199 1.00 63.24 H new ATOM 0 HD23 LEU A 35 5.598 -0.769 -2.384 1.00 63.24 H new ATOM 511 N SER A 36 6.184 0.474 1.149 1.00 10.44 N ATOM 512 CA SER A 36 6.100 1.525 2.168 1.00 61.02 C ATOM 513 C SER A 36 4.687 1.590 2.762 1.00 30.33 C ATOM 514 O SER A 36 3.706 1.381 2.035 1.00 52.54 O ATOM 515 CB SER A 36 6.417 2.878 1.511 1.00 23.14 C ATOM 516 OG SER A 36 7.706 2.862 0.938 1.00 2.51 O ATOM 0 H SER A 36 6.099 0.838 0.200 1.00 10.44 H new ATOM 0 HA SER A 36 6.811 1.302 2.963 1.00 61.02 H new ATOM 0 HB2 SER A 36 5.675 3.099 0.744 1.00 23.14 H new ATOM 0 HB3 SER A 36 6.353 3.673 2.254 1.00 23.14 H new ATOM 0 HG SER A 36 7.890 3.730 0.523 1.00 2.51 H new ATOM 521 N CYS A 37 4.559 1.955 4.054 1.00 72.33 N ATOM 522 CA CYS A 37 3.227 2.188 4.622 1.00 73.22 C ATOM 523 C CYS A 37 2.512 3.372 3.965 1.00 11.22 C ATOM 524 O CYS A 37 1.283 3.389 3.905 1.00 21.22 O ATOM 525 CB CYS A 37 3.297 2.503 6.116 1.00 13.31 C ATOM 526 SG CYS A 37 4.137 1.258 7.114 1.00 32.30 S ATOM 0 H CYS A 37 5.336 2.090 4.701 1.00 72.33 H new ATOM 0 HA CYS A 37 2.678 1.264 4.440 1.00 73.22 H new ATOM 0 HB2 CYS A 37 3.806 3.458 6.248 1.00 13.31 H new ATOM 0 HB3 CYS A 37 2.282 2.628 6.494 1.00 13.31 H new ATOM 0 HG CYS A 37 4.306 1.711 8.321 1.00 32.30 H new ATOM 531 N GLU A 38 3.267 4.384 3.533 1.00 21.13 N ATOM 532 CA GLU A 38 2.740 5.557 2.854 1.00 5.20 C ATOM 533 C GLU A 38 1.991 5.130 1.593 1.00 53.44 C ATOM 534 O GLU A 38 0.796 5.419 1.487 1.00 14.52 O ATOM 535 CB GLU A 38 3.907 6.507 2.575 1.00 33.01 C ATOM 536 CG GLU A 38 3.571 7.711 1.687 1.00 13.42 C ATOM 537 CD GLU A 38 4.808 8.597 1.560 1.00 52.21 C ATOM 538 OE1 GLU A 38 5.812 8.094 1.001 1.00 52.23 O ATOM 539 OE2 GLU A 38 4.768 9.740 2.077 1.00 11.20 O ATOM 0 H GLU A 38 4.280 4.406 3.650 1.00 21.13 H new ATOM 0 HA GLU A 38 2.016 6.088 3.471 1.00 5.20 H new ATOM 0 HB2 GLU A 38 4.291 6.874 3.527 1.00 33.01 H new ATOM 0 HB3 GLU A 38 4.710 5.941 2.104 1.00 33.01 H new ATOM 0 HG2 GLU A 38 3.247 7.374 0.702 1.00 13.42 H new ATOM 0 HG3 GLU A 38 2.745 8.277 2.118 1.00 13.42 H new ATOM 544 N LEU A 39 2.669 4.425 0.668 1.00 3.40 N ATOM 545 CA LEU A 39 2.104 4.021 -0.624 1.00 4.40 C ATOM 546 C LEU A 39 0.804 3.240 -0.399 1.00 70.11 C ATOM 547 O LEU A 39 -0.218 3.552 -1.005 1.00 5.23 O ATOM 548 CB LEU A 39 3.124 3.249 -1.487 1.00 30.10 C ATOM 549 CG LEU A 39 2.710 3.160 -2.979 1.00 21.51 C ATOM 550 CD1 LEU A 39 2.741 4.521 -3.687 1.00 13.01 C ATOM 551 CD2 LEU A 39 3.655 2.239 -3.762 1.00 65.11 C ATOM 0 H LEU A 39 3.633 4.119 0.802 1.00 3.40 H new ATOM 0 HA LEU A 39 1.862 4.917 -1.195 1.00 4.40 H new ATOM 0 HB2 LEU A 39 4.096 3.736 -1.414 1.00 30.10 H new ATOM 0 HB3 LEU A 39 3.241 2.242 -1.087 1.00 30.10 H new ATOM 0 HG LEU A 39 1.691 2.772 -2.968 1.00 21.51 H new ATOM 0 HD11 LEU A 39 2.442 4.397 -4.728 1.00 13.01 H new ATOM 0 HD12 LEU A 39 2.052 5.205 -3.191 1.00 13.01 H new ATOM 0 HD13 LEU A 39 3.751 4.930 -3.646 1.00 13.01 H new ATOM 0 HD21 LEU A 39 3.340 2.196 -4.805 1.00 65.11 H new ATOM 0 HD22 LEU A 39 4.672 2.628 -3.706 1.00 65.11 H new ATOM 0 HD23 LEU A 39 3.626 1.238 -3.333 1.00 65.11 H new ATOM 562 N LEU A 40 0.810 2.333 0.585 1.00 73.02 N ATOM 563 CA LEU A 40 -0.331 1.526 1.019 1.00 12.52 C ATOM 564 C LEU A 40 -1.575 2.340 1.410 1.00 54.41 C ATOM 565 O LEU A 40 -2.682 1.801 1.325 1.00 33.43 O ATOM 566 CB LEU A 40 0.110 0.633 2.201 1.00 72.23 C ATOM 567 CG LEU A 40 0.231 -0.877 1.926 1.00 42.11 C ATOM 568 CD1 LEU A 40 0.951 -1.239 0.624 1.00 12.11 C ATOM 569 CD2 LEU A 40 1.004 -1.523 3.080 1.00 31.22 C ATOM 0 H LEU A 40 1.652 2.134 1.125 1.00 73.02 H new ATOM 0 HA LEU A 40 -0.635 0.928 0.160 1.00 12.52 H new ATOM 0 HB2 LEU A 40 1.076 0.992 2.555 1.00 72.23 H new ATOM 0 HB3 LEU A 40 -0.600 0.774 3.016 1.00 72.23 H new ATOM 0 HG LEU A 40 -0.791 -1.245 1.833 1.00 42.11 H new ATOM 0 HD11 LEU A 40 0.987 -2.323 0.517 1.00 12.11 H new ATOM 0 HD12 LEU A 40 0.413 -0.809 -0.221 1.00 12.11 H new ATOM 0 HD13 LEU A 40 1.966 -0.843 0.647 1.00 12.11 H new ATOM 0 HD21 LEU A 40 1.098 -2.594 2.900 1.00 31.22 H new ATOM 0 HD22 LEU A 40 1.996 -1.077 3.148 1.00 31.22 H new ATOM 0 HD23 LEU A 40 0.468 -1.358 4.015 1.00 31.22 H new ATOM 580 N ARG A 41 -1.429 3.586 1.884 1.00 44.55 N ATOM 581 CA ARG A 41 -2.570 4.419 2.289 1.00 50.31 C ATOM 582 C ARG A 41 -2.998 5.318 1.135 1.00 25.41 C ATOM 583 O ARG A 41 -4.194 5.505 0.927 1.00 53.15 O ATOM 584 CB ARG A 41 -2.224 5.236 3.553 1.00 4.40 C ATOM 585 CG ARG A 41 -3.375 5.372 4.577 1.00 10.13 C ATOM 586 CD ARG A 41 -4.464 6.411 4.264 1.00 13.14 C ATOM 587 NE ARG A 41 -5.654 5.803 3.653 1.00 22.31 N ATOM 588 CZ ARG A 41 -6.676 6.457 3.088 1.00 43.22 C ATOM 589 NH1 ARG A 41 -6.784 7.782 3.164 1.00 43.44 N ATOM 590 NH2 ARG A 41 -7.596 5.764 2.434 1.00 33.22 N ATOM 0 H ARG A 41 -0.523 4.042 1.997 1.00 44.55 H new ATOM 0 HA ARG A 41 -3.412 3.773 2.540 1.00 50.31 H new ATOM 0 HB2 ARG A 41 -1.371 4.770 4.047 1.00 4.40 H new ATOM 0 HB3 ARG A 41 -1.909 6.234 3.248 1.00 4.40 H new ATOM 0 HG2 ARG A 41 -3.854 4.398 4.680 1.00 10.13 H new ATOM 0 HG3 ARG A 41 -2.940 5.617 5.546 1.00 10.13 H new ATOM 0 HD2 ARG A 41 -4.751 6.922 5.183 1.00 13.14 H new ATOM 0 HD3 ARG A 41 -4.059 7.168 3.592 1.00 13.14 H new ATOM 0 HE ARG A 41 -5.706 4.784 3.660 1.00 22.31 H new ATOM 0 HH11 ARG A 41 -6.077 8.324 3.662 1.00 43.44 H new ATOM 0 HH12 ARG A 41 -7.573 8.255 2.724 1.00 43.44 H new ATOM 0 HH21 ARG A 41 -7.518 4.749 2.367 1.00 33.22 H new ATOM 0 HH22 ARG A 41 -8.382 6.245 1.997 1.00 33.22 H new ATOM 601 N VAL A 42 -2.048 5.908 0.402 1.00 44.14 N ATOM 602 CA VAL A 42 -2.373 6.777 -0.729 1.00 73.44 C ATOM 603 C VAL A 42 -3.056 5.947 -1.830 1.00 32.54 C ATOM 604 O VAL A 42 -4.158 6.308 -2.248 1.00 70.11 O ATOM 605 CB VAL A 42 -1.152 7.615 -1.174 1.00 10.14 C ATOM 606 CG1 VAL A 42 -0.690 8.509 -0.006 1.00 52.34 C ATOM 607 CG2 VAL A 42 0.059 6.812 -1.616 1.00 51.15 C ATOM 0 H VAL A 42 -1.048 5.798 0.573 1.00 44.14 H new ATOM 0 HA VAL A 42 -3.100 7.534 -0.434 1.00 73.44 H new ATOM 0 HB VAL A 42 -1.504 8.178 -2.039 1.00 10.14 H new ATOM 0 HG11 VAL A 42 0.171 9.100 -0.319 1.00 52.34 H new ATOM 0 HG12 VAL A 42 -1.502 9.176 0.285 1.00 52.34 H new ATOM 0 HG13 VAL A 42 -0.412 7.884 0.843 1.00 52.34 H new ATOM 0 HG21 VAL A 42 0.860 7.492 -1.908 1.00 51.15 H new ATOM 0 HG22 VAL A 42 0.399 6.183 -0.793 1.00 51.15 H new ATOM 0 HG23 VAL A 42 -0.211 6.184 -2.465 1.00 51.15 H new ATOM 617 N TYR A 43 -2.513 4.784 -2.207 1.00 2.44 N ATOM 618 CA TYR A 43 -3.188 3.794 -3.039 1.00 25.24 C ATOM 619 C TYR A 43 -3.990 2.895 -2.107 1.00 25.14 C ATOM 620 O TYR A 43 -3.646 1.736 -1.850 1.00 42.02 O ATOM 621 CB TYR A 43 -2.202 3.004 -3.918 1.00 63.12 C ATOM 622 CG TYR A 43 -2.015 3.607 -5.294 1.00 3.13 C ATOM 623 CD1 TYR A 43 -3.050 3.519 -6.244 1.00 11.22 C ATOM 624 CD2 TYR A 43 -0.820 4.261 -5.628 1.00 62.33 C ATOM 625 CE1 TYR A 43 -2.919 4.142 -7.497 1.00 43.44 C ATOM 626 CE2 TYR A 43 -0.705 4.938 -6.855 1.00 61.41 C ATOM 627 CZ TYR A 43 -1.765 4.900 -7.787 1.00 41.35 C ATOM 628 OH TYR A 43 -1.668 5.554 -8.978 1.00 2.23 O ATOM 0 H TYR A 43 -1.571 4.503 -1.934 1.00 2.44 H new ATOM 0 HA TYR A 43 -3.856 4.286 -3.746 1.00 25.24 H new ATOM 0 HB2 TYR A 43 -1.236 2.955 -3.415 1.00 63.12 H new ATOM 0 HB3 TYR A 43 -2.559 1.979 -4.023 1.00 63.12 H new ATOM 0 HD1 TYR A 43 -3.950 2.970 -6.009 1.00 11.22 H new ATOM 0 HD2 TYR A 43 0.013 4.245 -4.941 1.00 62.33 H new ATOM 0 HE1 TYR A 43 -3.700 4.041 -8.236 1.00 43.44 H new ATOM 0 HE2 TYR A 43 0.196 5.488 -7.085 1.00 61.41 H new ATOM 0 HH TYR A 43 -2.563 5.807 -9.286 1.00 2.23 H new ATOM 637 N SER A 44 -5.075 3.443 -1.566 1.00 13.00 N ATOM 638 CA SER A 44 -6.122 2.607 -1.025 1.00 42.44 C ATOM 639 C SER A 44 -6.938 2.032 -2.199 1.00 62.31 C ATOM 640 O SER A 44 -7.146 2.735 -3.190 1.00 3.13 O ATOM 641 CB SER A 44 -6.934 3.439 -0.030 1.00 14.41 C ATOM 642 OG SER A 44 -7.743 4.452 -0.598 1.00 45.25 O ATOM 0 H SER A 44 -5.244 4.446 -1.495 1.00 13.00 H new ATOM 0 HA SER A 44 -5.739 1.751 -0.470 1.00 42.44 H new ATOM 0 HB2 SER A 44 -7.573 2.767 0.542 1.00 14.41 H new ATOM 0 HB3 SER A 44 -6.245 3.902 0.676 1.00 14.41 H new ATOM 0 HG SER A 44 -8.339 4.818 0.088 1.00 45.25 H new ATOM 647 N PRO A 45 -7.424 0.781 -2.124 1.00 45.25 N ATOM 648 CA PRO A 45 -8.111 0.123 -3.243 1.00 13.13 C ATOM 649 C PRO A 45 -9.624 0.392 -3.311 1.00 30.21 C ATOM 650 O PRO A 45 -10.292 -0.046 -4.254 1.00 3.24 O ATOM 651 CB PRO A 45 -7.841 -1.360 -3.022 1.00 33.11 C ATOM 652 CG PRO A 45 -7.830 -1.458 -1.499 1.00 11.24 C ATOM 653 CD PRO A 45 -7.090 -0.191 -1.096 1.00 34.34 C ATOM 0 HA PRO A 45 -7.739 0.509 -4.192 1.00 13.13 H new ATOM 0 HB2 PRO A 45 -8.615 -1.986 -3.465 1.00 33.11 H new ATOM 0 HB3 PRO A 45 -6.891 -1.671 -3.458 1.00 33.11 H new ATOM 0 HG2 PRO A 45 -8.838 -1.488 -1.086 1.00 11.24 H new ATOM 0 HG3 PRO A 45 -7.317 -2.356 -1.153 1.00 11.24 H new ATOM 0 HD2 PRO A 45 -7.404 0.153 -0.110 1.00 34.34 H new ATOM 0 HD3 PRO A 45 -6.014 -0.360 -1.047 1.00 34.34 H new ATOM 658 N SER A 46 -10.181 1.085 -2.321 1.00 71.22 N ATOM 659 CA SER A 46 -11.562 1.534 -2.266 1.00 22.34 C ATOM 660 C SER A 46 -11.496 3.054 -2.176 1.00 63.23 C ATOM 661 O SER A 46 -11.536 3.632 -1.087 1.00 32.34 O ATOM 662 CB SER A 46 -12.297 0.841 -1.108 1.00 23.33 C ATOM 663 OG SER A 46 -13.683 1.111 -1.111 1.00 52.05 O ATOM 0 H SER A 46 -9.650 1.361 -1.495 1.00 71.22 H new ATOM 0 HA SER A 46 -12.147 1.265 -3.145 1.00 22.34 H new ATOM 0 HB2 SER A 46 -12.139 -0.236 -1.174 1.00 23.33 H new ATOM 0 HB3 SER A 46 -11.868 1.169 -0.161 1.00 23.33 H new ATOM 0 HG SER A 46 -14.108 0.649 -0.359 1.00 52.05 H new ATOM 668 N ALA A 47 -11.304 3.677 -3.342 1.00 2.43 N ATOM 669 CA ALA A 47 -11.257 5.119 -3.514 1.00 13.11 C ATOM 670 C ALA A 47 -11.875 5.468 -4.866 1.00 62.22 C ATOM 671 O ALA A 47 -12.875 6.181 -4.929 1.00 62.31 O ATOM 672 CB ALA A 47 -9.811 5.601 -3.414 1.00 65.33 C ATOM 0 H ALA A 47 -11.173 3.169 -4.217 1.00 2.43 H new ATOM 0 HA ALA A 47 -11.826 5.620 -2.731 1.00 13.11 H new ATOM 0 HB1 ALA A 47 -9.778 6.683 -3.543 1.00 65.33 H new ATOM 0 HB2 ALA A 47 -9.407 5.340 -2.436 1.00 65.33 H new ATOM 0 HB3 ALA A 47 -9.214 5.124 -4.192 1.00 65.33 H new ATOM 678 N GLU A 48 -11.348 4.899 -5.953 1.00 23.40 N ATOM 679 CA GLU A 48 -11.860 5.042 -7.316 1.00 32.43 C ATOM 680 C GLU A 48 -13.031 4.071 -7.538 1.00 45.41 C ATOM 681 O GLU A 48 -13.142 3.368 -8.542 1.00 34.51 O ATOM 682 CB GLU A 48 -10.704 4.895 -8.317 1.00 52.35 C ATOM 683 CG GLU A 48 -9.763 6.100 -8.171 1.00 31.11 C ATOM 684 CD GLU A 48 -8.564 6.088 -9.120 1.00 71.13 C ATOM 685 OE1 GLU A 48 -8.086 5.008 -9.520 1.00 73.53 O ATOM 686 OE2 GLU A 48 -7.991 7.175 -9.375 1.00 12.11 O ATOM 0 H GLU A 48 -10.521 4.303 -5.905 1.00 23.40 H new ATOM 0 HA GLU A 48 -12.271 6.038 -7.480 1.00 32.43 H new ATOM 0 HB2 GLU A 48 -10.161 3.968 -8.132 1.00 52.35 H new ATOM 0 HB3 GLU A 48 -11.091 4.840 -9.334 1.00 52.35 H new ATOM 0 HG2 GLU A 48 -10.334 7.013 -8.339 1.00 31.11 H new ATOM 0 HG3 GLU A 48 -9.397 6.137 -7.145 1.00 31.11 H new ATOM 691 N VAL A 49 -13.927 4.051 -6.555 1.00 63.44 N ATOM 692 CA VAL A 49 -15.161 3.272 -6.538 1.00 44.43 C ATOM 693 C VAL A 49 -16.113 3.809 -7.617 1.00 2.34 C ATOM 694 O VAL A 49 -16.902 3.042 -8.166 1.00 62.54 O ATOM 695 CB VAL A 49 -15.786 3.327 -5.126 1.00 54.23 C ATOM 696 CG1 VAL A 49 -16.944 2.337 -4.993 1.00 71.44 C ATOM 697 CG2 VAL A 49 -14.772 2.984 -4.021 1.00 41.41 C ATOM 0 H VAL A 49 -13.806 4.605 -5.707 1.00 63.44 H new ATOM 0 HA VAL A 49 -14.957 2.226 -6.765 1.00 44.43 H new ATOM 0 HB VAL A 49 -16.133 4.353 -5.003 1.00 54.23 H new ATOM 0 HG11 VAL A 49 -17.363 2.400 -3.989 1.00 71.44 H new ATOM 0 HG12 VAL A 49 -17.716 2.580 -5.724 1.00 71.44 H new ATOM 0 HG13 VAL A 49 -16.580 1.325 -5.172 1.00 71.44 H new ATOM 0 HG21 VAL A 49 -15.262 3.037 -3.049 1.00 41.41 H new ATOM 0 HG22 VAL A 49 -14.388 1.976 -4.179 1.00 41.41 H new ATOM 0 HG23 VAL A 49 -13.947 3.695 -4.051 1.00 41.41 H new ATOM 707 N HIS A 50 -15.991 5.100 -7.950 1.00 14.21 N ATOM 708 CA HIS A 50 -16.607 5.828 -9.054 1.00 51.24 C ATOM 709 C HIS A 50 -18.094 6.142 -8.858 1.00 4.44 C ATOM 710 O HIS A 50 -18.619 7.063 -9.483 1.00 12.32 O ATOM 711 CB HIS A 50 -16.319 5.134 -10.395 1.00 23.33 C ATOM 712 CG HIS A 50 -16.188 6.117 -11.523 1.00 71.25 C ATOM 713 ND1 HIS A 50 -17.167 6.470 -12.419 1.00 11.02 N ATOM 714 CD2 HIS A 50 -15.097 6.899 -11.771 1.00 11.21 C ATOM 715 CE1 HIS A 50 -16.686 7.448 -13.197 1.00 65.11 C ATOM 716 NE2 HIS A 50 -15.413 7.732 -12.855 1.00 63.14 N ATOM 0 H HIS A 50 -15.399 5.717 -7.395 1.00 14.21 H new ATOM 0 HA HIS A 50 -16.132 6.809 -9.070 1.00 51.24 H new ATOM 0 HB2 HIS A 50 -15.400 4.553 -10.312 1.00 23.33 H new ATOM 0 HB3 HIS A 50 -17.121 4.431 -10.619 1.00 23.33 H new ATOM 0 HD2 HIS A 50 -14.162 6.880 -11.231 1.00 11.21 H new ATOM 0 HE1 HIS A 50 -17.238 7.939 -13.985 1.00 65.11 H new ATOM 0 HE2 HIS A 50 -14.800 8.417 -13.297 1.00 63.14 H new ATOM 723 N GLY A 51 -18.758 5.457 -7.937 1.00 45.31 N ATOM 724 CA GLY A 51 -20.079 5.773 -7.434 1.00 43.31 C ATOM 725 C GLY A 51 -20.152 5.297 -5.991 1.00 11.04 C ATOM 726 O GLY A 51 -19.300 4.530 -5.546 1.00 51.43 O ATOM 0 H GLY A 51 -18.365 4.623 -7.501 1.00 45.31 H new ATOM 0 HA2 GLY A 51 -20.264 6.846 -7.492 1.00 43.31 H new ATOM 0 HA3 GLY A 51 -20.844 5.284 -8.037 1.00 43.31 H new ATOM 730 N HIS A 52 -21.142 5.785 -5.239 1.00 4.01 N ATOM 731 CA HIS A 52 -21.312 5.626 -3.787 1.00 23.24 C ATOM 732 C HIS A 52 -20.140 6.122 -2.916 1.00 12.23 C ATOM 733 O HIS A 52 -20.381 6.457 -1.757 1.00 22.31 O ATOM 734 CB HIS A 52 -21.720 4.191 -3.415 1.00 72.42 C ATOM 735 CG HIS A 52 -23.177 3.885 -3.669 1.00 53.33 C ATOM 736 ND1 HIS A 52 -24.098 3.482 -2.728 1.00 10.12 N ATOM 737 CD2 HIS A 52 -23.833 3.973 -4.868 1.00 41.02 C ATOM 738 CE1 HIS A 52 -25.283 3.340 -3.339 1.00 13.42 C ATOM 739 NE2 HIS A 52 -25.170 3.615 -4.650 1.00 62.54 N ATOM 0 H HIS A 52 -21.895 6.337 -5.651 1.00 4.01 H new ATOM 0 HA HIS A 52 -22.132 6.302 -3.544 1.00 23.24 H new ATOM 0 HB2 HIS A 52 -21.107 3.491 -3.983 1.00 72.42 H new ATOM 0 HB3 HIS A 52 -21.502 4.023 -2.360 1.00 72.42 H new ATOM 0 HD2 HIS A 52 -23.398 4.266 -5.812 1.00 41.02 H new ATOM 0 HE1 HIS A 52 -26.199 3.046 -2.847 1.00 13.42 H new ATOM 0 HE2 HIS A 52 -25.912 3.572 -5.349 1.00 62.54 H new ATOM 746 N GLY A 53 -18.933 6.286 -3.451 1.00 63.23 N ATOM 747 CA GLY A 53 -17.744 6.879 -2.859 1.00 41.34 C ATOM 748 C GLY A 53 -16.941 7.502 -4.004 1.00 5.41 C ATOM 749 O GLY A 53 -17.025 7.010 -5.131 1.00 4.04 O ATOM 0 H GLY A 53 -18.749 5.975 -4.405 1.00 63.23 H new ATOM 0 HA2 GLY A 53 -18.015 7.635 -2.122 1.00 41.34 H new ATOM 0 HA3 GLY A 53 -17.154 6.124 -2.339 1.00 41.34 H new ATOM 753 N ASN A 54 -16.214 8.592 -3.742 1.00 24.53 N ATOM 754 CA ASN A 54 -15.425 9.318 -4.739 1.00 72.23 C ATOM 755 C ASN A 54 -14.011 9.518 -4.199 1.00 70.13 C ATOM 756 O ASN A 54 -13.855 9.693 -2.988 1.00 70.54 O ATOM 757 CB ASN A 54 -16.056 10.665 -5.155 1.00 11.43 C ATOM 758 CG ASN A 54 -16.376 11.651 -4.027 1.00 74.23 C ATOM 759 OD1 ASN A 54 -15.735 12.689 -3.859 1.00 71.21 O ATOM 760 ND2 ASN A 54 -17.439 11.408 -3.278 1.00 22.52 N ATOM 0 H ASN A 54 -16.157 9.003 -2.810 1.00 24.53 H new ATOM 0 HA ASN A 54 -15.400 8.716 -5.647 1.00 72.23 H new ATOM 0 HB2 ASN A 54 -15.380 11.156 -5.855 1.00 11.43 H new ATOM 0 HB3 ASN A 54 -16.979 10.456 -5.697 1.00 11.43 H new ATOM 0 HD21 ASN A 54 -17.725 12.079 -2.565 1.00 22.52 H new ATOM 0 HD22 ASN A 54 -17.973 10.550 -3.414 1.00 22.52 H new ATOM 766 N PRO A 55 -12.986 9.474 -5.066 1.00 53.02 N ATOM 767 CA PRO A 55 -11.597 9.483 -4.643 1.00 44.41 C ATOM 768 C PRO A 55 -11.175 10.860 -4.128 1.00 72.42 C ATOM 769 O PRO A 55 -11.612 11.910 -4.613 1.00 71.32 O ATOM 770 CB PRO A 55 -10.789 9.069 -5.878 1.00 44.02 C ATOM 771 CG PRO A 55 -11.679 9.508 -7.039 1.00 23.12 C ATOM 772 CD PRO A 55 -13.080 9.258 -6.502 1.00 25.44 C ATOM 0 HA PRO A 55 -11.429 8.800 -3.811 1.00 44.41 H new ATOM 0 HB2 PRO A 55 -9.817 9.561 -5.907 1.00 44.02 H new ATOM 0 HB3 PRO A 55 -10.603 7.995 -5.896 1.00 44.02 H new ATOM 0 HG2 PRO A 55 -11.524 10.557 -7.293 1.00 23.12 H new ATOM 0 HG3 PRO A 55 -11.482 8.929 -7.941 1.00 23.12 H new ATOM 0 HD2 PRO A 55 -13.802 9.937 -6.955 1.00 25.44 H new ATOM 0 HD3 PRO A 55 -13.412 8.244 -6.726 1.00 25.44 H new ATOM 777 N VAL A 56 -10.230 10.851 -3.194 1.00 43.04 N ATOM 778 CA VAL A 56 -9.670 12.037 -2.565 1.00 73.32 C ATOM 779 C VAL A 56 -8.166 12.060 -2.799 1.00 11.32 C ATOM 780 O VAL A 56 -7.503 11.018 -2.744 1.00 34.11 O ATOM 781 CB VAL A 56 -10.136 12.149 -1.110 1.00 13.04 C ATOM 782 CG1 VAL A 56 -9.773 10.882 -0.348 1.00 14.31 C ATOM 783 CG2 VAL A 56 -9.619 13.390 -0.375 1.00 2.42 C ATOM 0 H VAL A 56 -9.820 9.986 -2.843 1.00 43.04 H new ATOM 0 HA VAL A 56 -10.046 12.952 -3.023 1.00 73.32 H new ATOM 0 HB VAL A 56 -11.219 12.266 -1.147 1.00 13.04 H new ATOM 0 HG11 VAL A 56 -10.108 10.970 0.685 1.00 14.31 H new ATOM 0 HG12 VAL A 56 -10.258 10.025 -0.815 1.00 14.31 H new ATOM 0 HG13 VAL A 56 -8.692 10.742 -0.368 1.00 14.31 H new ATOM 0 HG21 VAL A 56 -9.996 13.391 0.648 1.00 2.42 H new ATOM 0 HG22 VAL A 56 -8.529 13.376 -0.360 1.00 2.42 H new ATOM 0 HG23 VAL A 56 -9.963 14.287 -0.889 1.00 2.42 H new ATOM 793 N LEU A 57 -7.636 13.244 -3.090 1.00 1.23 N ATOM 794 CA LEU A 57 -6.209 13.439 -3.270 1.00 51.24 C ATOM 795 C LEU A 57 -5.535 13.261 -1.912 1.00 74.13 C ATOM 796 O LEU A 57 -6.102 13.560 -0.860 1.00 74.35 O ATOM 797 CB LEU A 57 -5.898 14.833 -3.852 1.00 14.22 C ATOM 798 CG LEU A 57 -4.497 14.879 -4.501 1.00 62.42 C ATOM 799 CD1 LEU A 57 -4.559 14.394 -5.950 1.00 23.42 C ATOM 800 CD2 LEU A 57 -3.865 16.273 -4.428 1.00 65.11 C ATOM 0 H LEU A 57 -8.188 14.094 -3.207 1.00 1.23 H new ATOM 0 HA LEU A 57 -5.828 12.708 -3.983 1.00 51.24 H new ATOM 0 HB2 LEU A 57 -6.652 15.094 -4.594 1.00 14.22 H new ATOM 0 HB3 LEU A 57 -5.958 15.580 -3.060 1.00 14.22 H new ATOM 0 HG LEU A 57 -3.858 14.207 -3.928 1.00 62.42 H new ATOM 0 HD11 LEU A 57 -3.563 14.434 -6.390 1.00 23.42 H new ATOM 0 HD12 LEU A 57 -4.926 13.368 -5.975 1.00 23.42 H new ATOM 0 HD13 LEU A 57 -5.233 15.034 -6.519 1.00 23.42 H new ATOM 0 HD21 LEU A 57 -2.882 16.252 -4.898 1.00 65.11 H new ATOM 0 HD22 LEU A 57 -4.501 16.989 -4.949 1.00 65.11 H new ATOM 0 HD23 LEU A 57 -3.762 16.572 -3.385 1.00 65.11 H new ATOM 811 N VAL A 58 -4.286 12.826 -1.929 1.00 51.31 N ATOM 812 CA VAL A 58 -3.439 12.650 -0.769 1.00 71.51 C ATOM 813 C VAL A 58 -2.115 13.395 -0.953 1.00 12.13 C ATOM 814 O VAL A 58 -1.754 13.823 -2.052 1.00 24.21 O ATOM 815 CB VAL A 58 -3.261 11.138 -0.505 1.00 62.52 C ATOM 816 CG1 VAL A 58 -4.268 10.649 0.539 1.00 61.11 C ATOM 817 CG2 VAL A 58 -3.428 10.269 -1.770 1.00 73.45 C ATOM 0 H VAL A 58 -3.815 12.574 -2.798 1.00 51.31 H new ATOM 0 HA VAL A 58 -3.904 13.086 0.115 1.00 71.51 H new ATOM 0 HB VAL A 58 -2.238 11.026 -0.147 1.00 62.52 H new ATOM 0 HG11 VAL A 58 -4.126 9.582 0.710 1.00 61.11 H new ATOM 0 HG12 VAL A 58 -4.115 11.190 1.473 1.00 61.11 H new ATOM 0 HG13 VAL A 58 -5.281 10.827 0.178 1.00 61.11 H new ATOM 0 HG21 VAL A 58 -3.290 9.219 -1.511 1.00 73.45 H new ATOM 0 HG22 VAL A 58 -4.427 10.413 -2.181 1.00 73.45 H new ATOM 0 HG23 VAL A 58 -2.685 10.560 -2.512 1.00 73.45 H new ATOM 827 N THR A 59 -1.414 13.548 0.159 1.00 65.52 N ATOM 828 CA THR A 59 -0.113 14.169 0.344 1.00 10.32 C ATOM 829 C THR A 59 0.861 13.085 0.811 1.00 5.02 C ATOM 830 O THR A 59 0.451 11.930 0.985 1.00 3.00 O ATOM 831 CB THR A 59 -0.294 15.311 1.363 1.00 5.33 C ATOM 832 OG1 THR A 59 -1.150 14.922 2.431 1.00 50.32 O ATOM 833 CG2 THR A 59 -0.923 16.526 0.680 1.00 63.32 C ATOM 0 H THR A 59 -1.781 13.204 1.046 1.00 65.52 H new ATOM 0 HA THR A 59 0.297 14.599 -0.570 1.00 10.32 H new ATOM 0 HB THR A 59 0.693 15.553 1.757 1.00 5.33 H new ATOM 0 HG1 THR A 59 -1.244 15.666 3.062 1.00 50.32 H new ATOM 0 HG21 THR A 59 -1.047 17.328 1.407 1.00 63.32 H new ATOM 0 HG22 THR A 59 -0.275 16.866 -0.128 1.00 63.32 H new ATOM 0 HG23 THR A 59 -1.896 16.251 0.273 1.00 63.32 H new ATOM 841 N HIS A 60 2.133 13.439 1.045 1.00 13.11 N ATOM 842 CA HIS A 60 3.047 12.524 1.722 1.00 33.52 C ATOM 843 C HIS A 60 2.472 12.168 3.103 1.00 54.45 C ATOM 844 O HIS A 60 1.642 12.912 3.653 1.00 65.45 O ATOM 845 CB HIS A 60 4.450 13.123 1.889 1.00 62.45 C ATOM 846 CG HIS A 60 5.160 13.726 0.702 1.00 10.31 C ATOM 847 ND1 HIS A 60 6.379 14.348 0.776 1.00 23.53 N ATOM 848 CD2 HIS A 60 4.793 13.707 -0.611 1.00 30.23 C ATOM 849 CE1 HIS A 60 6.759 14.669 -0.469 1.00 54.44 C ATOM 850 NE2 HIS A 60 5.816 14.310 -1.363 1.00 3.40 N ATOM 0 H HIS A 60 2.541 14.335 0.779 1.00 13.11 H new ATOM 0 HA HIS A 60 3.145 11.631 1.105 1.00 33.52 H new ATOM 0 HB2 HIS A 60 4.383 13.897 2.654 1.00 62.45 H new ATOM 0 HB3 HIS A 60 5.093 12.337 2.286 1.00 62.45 H new ATOM 0 HD1 HIS A 60 6.905 14.534 1.630 1.00 23.53 H new ATOM 0 HD2 HIS A 60 3.874 13.299 -1.005 1.00 30.23 H new ATOM 0 HE1 HIS A 60 7.693 15.149 -0.721 1.00 54.44 H new ATOM 857 N LYS A 61 2.912 11.052 3.686 1.00 70.13 N ATOM 858 CA LYS A 61 2.369 10.553 4.938 1.00 12.21 C ATOM 859 C LYS A 61 3.489 10.275 5.937 1.00 51.54 C ATOM 860 O LYS A 61 4.233 9.307 5.791 1.00 51.52 O ATOM 861 CB LYS A 61 1.518 9.292 4.686 1.00 63.13 C ATOM 862 CG LYS A 61 0.502 9.294 3.520 1.00 73.14 C ATOM 863 CD LYS A 61 -0.893 9.786 3.911 1.00 52.52 C ATOM 864 CE LYS A 61 -0.967 11.295 4.167 1.00 71.02 C ATOM 865 NZ LYS A 61 -2.249 11.673 4.807 1.00 45.55 N ATOM 0 H LYS A 61 3.656 10.472 3.298 1.00 70.13 H new ATOM 0 HA LYS A 61 1.722 11.317 5.369 1.00 12.21 H new ATOM 0 HB2 LYS A 61 2.203 8.460 4.524 1.00 63.13 H new ATOM 0 HB3 LYS A 61 0.967 9.078 5.602 1.00 63.13 H new ATOM 0 HG2 LYS A 61 0.887 9.924 2.718 1.00 73.14 H new ATOM 0 HG3 LYS A 61 0.421 8.283 3.121 1.00 73.14 H new ATOM 0 HD2 LYS A 61 -1.595 9.526 3.119 1.00 52.52 H new ATOM 0 HD3 LYS A 61 -1.216 9.258 4.808 1.00 52.52 H new ATOM 0 HE2 LYS A 61 -0.137 11.598 4.805 1.00 71.02 H new ATOM 0 HE3 LYS A 61 -0.857 11.831 3.224 1.00 71.02 H new ATOM 0 HZ1 LYS A 61 -2.268 12.700 4.967 1.00 45.55 H new ATOM 0 HZ2 LYS A 61 -3.039 11.405 4.186 1.00 45.55 H new ATOM 0 HZ3 LYS A 61 -2.341 11.179 5.718 1.00 45.55 H new ATOM 875 N LYS A 62 3.552 11.123 6.968 1.00 30.42 N ATOM 876 CA LYS A 62 4.641 11.304 7.928 1.00 30.30 C ATOM 877 C LYS A 62 5.264 10.011 8.462 1.00 62.13 C ATOM 878 O LYS A 62 6.277 9.598 7.909 1.00 41.12 O ATOM 879 CB LYS A 62 4.218 12.307 9.032 1.00 62.12 C ATOM 880 CG LYS A 62 2.735 12.298 9.443 1.00 52.42 C ATOM 881 CD LYS A 62 1.927 13.367 8.673 1.00 70.21 C ATOM 882 CE LYS A 62 0.576 12.813 8.212 1.00 4.11 C ATOM 883 NZ LYS A 62 -0.361 13.860 7.765 1.00 34.01 N ATOM 0 H LYS A 62 2.775 11.753 7.168 1.00 30.42 H new ATOM 0 HA LYS A 62 5.473 11.742 7.376 1.00 30.30 H new ATOM 0 HB2 LYS A 62 4.818 12.109 9.920 1.00 62.12 H new ATOM 0 HB3 LYS A 62 4.471 13.312 8.694 1.00 62.12 H new ATOM 0 HG2 LYS A 62 2.310 11.312 9.253 1.00 52.42 H new ATOM 0 HG3 LYS A 62 2.652 12.480 10.515 1.00 52.42 H new ATOM 0 HD2 LYS A 62 1.768 14.236 9.311 1.00 70.21 H new ATOM 0 HD3 LYS A 62 2.498 13.706 7.809 1.00 70.21 H new ATOM 0 HE2 LYS A 62 0.739 12.109 7.396 1.00 4.11 H new ATOM 0 HE3 LYS A 62 0.122 12.254 9.030 1.00 4.11 H new ATOM 0 HZ1 LYS A 62 -1.255 13.421 7.466 1.00 34.01 H new ATOM 0 HZ2 LYS A 62 -0.544 14.520 8.548 1.00 34.01 H new ATOM 0 HZ3 LYS A 62 0.054 14.379 6.965 1.00 34.01 H new ATOM 893 N ASN A 63 4.734 9.371 9.504 1.00 5.52 N ATOM 894 CA ASN A 63 5.319 8.169 10.109 1.00 42.14 C ATOM 895 C ASN A 63 4.165 7.211 10.349 1.00 65.41 C ATOM 896 O ASN A 63 3.627 7.108 11.456 1.00 41.43 O ATOM 897 CB ASN A 63 6.128 8.474 11.386 1.00 73.13 C ATOM 898 CG ASN A 63 7.627 8.588 11.130 1.00 41.54 C ATOM 899 OD1 ASN A 63 8.369 7.654 11.427 1.00 5.42 O ATOM 900 ND2 ASN A 63 8.101 9.714 10.624 1.00 64.14 N ATOM 0 H ASN A 63 3.874 9.675 9.960 1.00 5.52 H new ATOM 0 HA ASN A 63 6.055 7.720 9.442 1.00 42.14 H new ATOM 0 HB2 ASN A 63 5.768 9.405 11.823 1.00 73.13 H new ATOM 0 HB3 ASN A 63 5.949 7.687 12.119 1.00 73.13 H new ATOM 0 HD21 ASN A 63 9.104 9.822 10.472 1.00 64.14 H new ATOM 0 HD22 ASN A 63 7.464 10.474 10.386 1.00 64.14 H new ATOM 906 N VAL A 64 3.719 6.553 9.284 1.00 41.35 N ATOM 907 CA VAL A 64 2.559 5.669 9.294 1.00 74.14 C ATOM 908 C VAL A 64 2.976 4.251 9.688 1.00 21.14 C ATOM 909 O VAL A 64 3.781 3.645 8.988 1.00 61.11 O ATOM 910 CB VAL A 64 1.932 5.658 7.889 1.00 45.13 C ATOM 911 CG1 VAL A 64 0.668 4.787 7.788 1.00 65.12 C ATOM 912 CG2 VAL A 64 1.610 7.068 7.386 1.00 71.03 C ATOM 0 H VAL A 64 4.164 6.621 8.369 1.00 41.35 H new ATOM 0 HA VAL A 64 1.833 6.030 10.022 1.00 74.14 H new ATOM 0 HB VAL A 64 2.698 5.214 7.253 1.00 45.13 H new ATOM 0 HG11 VAL A 64 0.280 4.826 6.770 1.00 65.12 H new ATOM 0 HG12 VAL A 64 0.915 3.756 8.043 1.00 65.12 H new ATOM 0 HG13 VAL A 64 -0.087 5.161 8.479 1.00 65.12 H new ATOM 0 HG21 VAL A 64 1.170 7.008 6.391 1.00 71.03 H new ATOM 0 HG22 VAL A 64 0.905 7.545 8.067 1.00 71.03 H new ATOM 0 HG23 VAL A 64 2.526 7.657 7.342 1.00 71.03 H new ATOM 922 N ASN A 65 2.376 3.672 10.732 1.00 45.25 N ATOM 923 CA ASN A 65 2.560 2.265 11.093 1.00 72.15 C ATOM 924 C ASN A 65 1.240 1.483 11.054 1.00 4.20 C ATOM 925 O ASN A 65 0.137 2.045 11.076 1.00 50.12 O ATOM 926 CB ASN A 65 3.278 2.116 12.457 1.00 54.55 C ATOM 927 CG ASN A 65 4.777 1.821 12.374 1.00 11.21 C ATOM 928 OD1 ASN A 65 5.580 2.254 13.196 1.00 34.02 O ATOM 929 ND2 ASN A 65 5.219 1.039 11.407 1.00 23.02 N ATOM 0 H ASN A 65 1.743 4.172 11.356 1.00 45.25 H new ATOM 0 HA ASN A 65 3.209 1.824 10.336 1.00 72.15 H new ATOM 0 HB2 ASN A 65 3.135 3.034 13.027 1.00 54.55 H new ATOM 0 HB3 ASN A 65 2.797 1.315 13.018 1.00 54.55 H new ATOM 0 HD21 ASN A 65 6.210 0.805 11.353 1.00 23.02 H new ATOM 0 HD22 ASN A 65 4.569 0.668 10.714 1.00 23.02 H new ATOM 935 N ILE A 66 1.371 0.164 10.927 1.00 70.04 N ATOM 936 CA ILE A 66 0.365 -0.880 10.966 1.00 30.22 C ATOM 937 C ILE A 66 0.352 -1.452 12.377 1.00 24.24 C ATOM 938 O ILE A 66 1.267 -2.181 12.766 1.00 31.21 O ATOM 939 CB ILE A 66 0.655 -1.983 9.913 1.00 10.20 C ATOM 940 CG1 ILE A 66 0.507 -1.408 8.494 1.00 44.54 C ATOM 941 CG2 ILE A 66 -0.338 -3.142 10.084 1.00 11.13 C ATOM 942 CD1 ILE A 66 0.810 -2.402 7.384 1.00 42.32 C ATOM 0 H ILE A 66 2.296 -0.239 10.777 1.00 70.04 H new ATOM 0 HA ILE A 66 -0.613 -0.469 10.717 1.00 30.22 H new ATOM 0 HB ILE A 66 1.673 -2.344 10.058 1.00 10.20 H new ATOM 0 HG12 ILE A 66 -0.511 -1.039 8.368 1.00 44.54 H new ATOM 0 HG13 ILE A 66 1.172 -0.551 8.390 1.00 44.54 H new ATOM 0 HG21 ILE A 66 -0.129 -3.913 9.342 1.00 11.13 H new ATOM 0 HG22 ILE A 66 -0.236 -3.564 11.084 1.00 11.13 H new ATOM 0 HG23 ILE A 66 -1.355 -2.773 9.948 1.00 11.13 H new ATOM 0 HD11 ILE A 66 0.682 -1.917 6.416 1.00 42.32 H new ATOM 0 HD12 ILE A 66 1.837 -2.753 7.481 1.00 42.32 H new ATOM 0 HD13 ILE A 66 0.128 -3.249 7.458 1.00 42.32 H new ATOM 953 N ASN A 67 -0.722 -1.159 13.097 1.00 72.42 N ATOM 954 CA ASN A 67 -1.141 -1.780 14.333 1.00 22.44 C ATOM 955 C ASN A 67 -1.335 -3.269 14.111 1.00 31.14 C ATOM 956 O ASN A 67 -0.958 -4.055 14.980 1.00 43.51 O ATOM 957 CB ASN A 67 -2.486 -1.178 14.784 1.00 1.34 C ATOM 958 CG ASN A 67 -2.302 0.060 15.648 1.00 33.22 C ATOM 959 OD1 ASN A 67 -2.139 -0.060 16.856 1.00 25.22 O ATOM 960 ND2 ASN A 67 -2.319 1.245 15.068 1.00 25.01 N ATOM 0 H ASN A 67 -1.367 -0.425 12.805 1.00 72.42 H new ATOM 0 HA ASN A 67 -0.379 -1.608 15.093 1.00 22.44 H new ATOM 0 HB2 ASN A 67 -3.079 -0.921 13.906 1.00 1.34 H new ATOM 0 HB3 ASN A 67 -3.049 -1.927 15.341 1.00 1.34 H new ATOM 0 HD21 ASN A 67 -2.195 2.089 15.628 1.00 25.01 H new ATOM 0 HD22 ASN A 67 -2.457 1.317 14.060 1.00 25.01 H new ATOM 966 N ALA A 68 -1.968 -3.658 12.994 1.00 61.33 N ATOM 967 CA ALA A 68 -2.488 -5.006 12.854 1.00 30.11 C ATOM 968 C ALA A 68 -2.859 -5.316 11.409 1.00 22.34 C ATOM 969 O ALA A 68 -3.071 -4.418 10.592 1.00 65.25 O ATOM 970 CB ALA A 68 -3.743 -5.137 13.721 1.00 31.01 C ATOM 0 H ALA A 68 -2.126 -3.056 12.186 1.00 61.33 H new ATOM 0 HA ALA A 68 -1.715 -5.708 13.167 1.00 30.11 H new ATOM 0 HB1 ALA A 68 -4.147 -6.145 13.627 1.00 31.01 H new ATOM 0 HB2 ALA A 68 -3.487 -4.944 14.763 1.00 31.01 H new ATOM 0 HB3 ALA A 68 -4.490 -4.415 13.391 1.00 31.01 H new ATOM 976 N ILE A 69 -2.996 -6.609 11.138 1.00 73.42 N ATOM 977 CA ILE A 69 -3.523 -7.181 9.912 1.00 73.02 C ATOM 978 C ILE A 69 -4.591 -8.181 10.341 1.00 42.52 C ATOM 979 O ILE A 69 -4.411 -8.887 11.338 1.00 22.31 O ATOM 980 CB ILE A 69 -2.380 -7.855 9.114 1.00 62.24 C ATOM 981 CG1 ILE A 69 -1.357 -6.778 8.679 1.00 42.15 C ATOM 982 CG2 ILE A 69 -2.915 -8.637 7.902 1.00 73.22 C ATOM 983 CD1 ILE A 69 -0.197 -7.293 7.826 1.00 43.12 C ATOM 0 H ILE A 69 -2.725 -7.326 11.811 1.00 73.42 H new ATOM 0 HA ILE A 69 -3.956 -6.428 9.253 1.00 73.02 H new ATOM 0 HB ILE A 69 -1.885 -8.581 9.759 1.00 62.24 H new ATOM 0 HG12 ILE A 69 -1.883 -6.004 8.120 1.00 42.15 H new ATOM 0 HG13 ILE A 69 -0.949 -6.305 9.572 1.00 42.15 H new ATOM 0 HG21 ILE A 69 -2.082 -9.095 7.368 1.00 73.22 H new ATOM 0 HG22 ILE A 69 -3.599 -9.414 8.243 1.00 73.22 H new ATOM 0 HG23 ILE A 69 -3.444 -7.957 7.234 1.00 73.22 H new ATOM 0 HD11 ILE A 69 0.464 -6.464 7.572 1.00 43.12 H new ATOM 0 HD12 ILE A 69 0.361 -8.044 8.386 1.00 43.12 H new ATOM 0 HD13 ILE A 69 -0.588 -7.738 6.911 1.00 43.12 H new ATOM 994 N THR A 70 -5.652 -8.277 9.542 1.00 42.14 N ATOM 995 CA THR A 70 -6.684 -9.291 9.667 1.00 3.21 C ATOM 996 C THR A 70 -6.879 -9.914 8.285 1.00 52.43 C ATOM 997 O THR A 70 -7.224 -9.190 7.356 1.00 73.21 O ATOM 998 CB THR A 70 -7.977 -8.637 10.194 1.00 14.21 C ATOM 999 OG1 THR A 70 -7.822 -8.216 11.531 1.00 10.51 O ATOM 1000 CG2 THR A 70 -9.199 -9.548 10.129 1.00 71.15 C ATOM 0 H THR A 70 -5.817 -7.631 8.770 1.00 42.14 H new ATOM 0 HA THR A 70 -6.405 -10.071 10.375 1.00 3.21 H new ATOM 0 HB THR A 70 -8.150 -7.788 9.532 1.00 14.21 H new ATOM 0 HG1 THR A 70 -8.654 -7.803 11.842 1.00 10.51 H new ATOM 0 HG21 THR A 70 -10.069 -9.018 10.517 1.00 71.15 H new ATOM 0 HG22 THR A 70 -9.382 -9.838 9.094 1.00 71.15 H new ATOM 0 HG23 THR A 70 -9.020 -10.440 10.729 1.00 71.15 H new ATOM 1008 N PRO A 71 -6.653 -11.220 8.105 1.00 43.53 N ATOM 1009 CA PRO A 71 -7.030 -11.923 6.886 1.00 45.11 C ATOM 1010 C PRO A 71 -8.553 -11.990 6.797 1.00 25.30 C ATOM 1011 O PRO A 71 -9.245 -12.051 7.817 1.00 4.52 O ATOM 1012 CB PRO A 71 -6.392 -13.306 7.022 1.00 22.13 C ATOM 1013 CG PRO A 71 -6.364 -13.534 8.537 1.00 54.33 C ATOM 1014 CD PRO A 71 -6.220 -12.148 9.131 1.00 22.01 C ATOM 0 HA PRO A 71 -6.692 -11.433 5.973 1.00 45.11 H new ATOM 0 HB2 PRO A 71 -6.977 -14.071 6.511 1.00 22.13 H new ATOM 0 HB3 PRO A 71 -5.390 -13.331 6.593 1.00 22.13 H new ATOM 0 HG2 PRO A 71 -7.277 -14.020 8.881 1.00 54.33 H new ATOM 0 HG3 PRO A 71 -5.533 -14.177 8.826 1.00 54.33 H new ATOM 0 HD2 PRO A 71 -6.827 -12.045 10.030 1.00 22.01 H new ATOM 0 HD3 PRO A 71 -5.187 -11.954 9.420 1.00 22.01 H new ATOM 1019 N VAL A 72 -9.064 -11.973 5.574 1.00 2.33 N ATOM 1020 CA VAL A 72 -10.477 -11.926 5.260 1.00 41.11 C ATOM 1021 C VAL A 72 -10.695 -12.987 4.187 1.00 10.51 C ATOM 1022 O VAL A 72 -9.984 -13.005 3.179 1.00 25.10 O ATOM 1023 CB VAL A 72 -10.853 -10.492 4.824 1.00 74.05 C ATOM 1024 CG1 VAL A 72 -12.275 -10.452 4.249 1.00 25.04 C ATOM 1025 CG2 VAL A 72 -10.741 -9.497 5.999 1.00 61.12 C ATOM 0 H VAL A 72 -8.476 -11.993 4.741 1.00 2.33 H new ATOM 0 HA VAL A 72 -11.126 -12.146 6.107 1.00 41.11 H new ATOM 0 HB VAL A 72 -10.146 -10.194 4.050 1.00 74.05 H new ATOM 0 HG11 VAL A 72 -12.518 -9.433 3.949 1.00 25.04 H new ATOM 0 HG12 VAL A 72 -12.335 -11.110 3.382 1.00 25.04 H new ATOM 0 HG13 VAL A 72 -12.984 -10.785 5.007 1.00 25.04 H new ATOM 0 HG21 VAL A 72 -11.012 -8.498 5.657 1.00 61.12 H new ATOM 0 HG22 VAL A 72 -11.415 -9.802 6.800 1.00 61.12 H new ATOM 0 HG23 VAL A 72 -9.716 -9.487 6.371 1.00 61.12 H new ATOM 1035 N GLY A 73 -11.631 -13.907 4.425 1.00 4.10 N ATOM 1036 CA GLY A 73 -12.013 -14.960 3.492 1.00 14.11 C ATOM 1037 C GLY A 73 -10.884 -15.924 3.134 1.00 41.13 C ATOM 1038 O GLY A 73 -11.030 -16.687 2.177 1.00 62.05 O ATOM 0 H GLY A 73 -12.157 -13.938 5.298 1.00 4.10 H new ATOM 0 HA2 GLY A 73 -12.837 -15.529 3.922 1.00 14.11 H new ATOM 0 HA3 GLY A 73 -12.386 -14.500 2.577 1.00 14.11 H new ATOM 1042 N ASN A 74 -9.773 -15.934 3.882 1.00 73.03 N ATOM 1043 CA ASN A 74 -8.521 -16.591 3.528 1.00 45.25 C ATOM 1044 C ASN A 74 -7.942 -16.117 2.179 1.00 25.40 C ATOM 1045 O ASN A 74 -7.120 -16.814 1.589 1.00 44.32 O ATOM 1046 CB ASN A 74 -8.691 -18.119 3.628 1.00 65.33 C ATOM 1047 CG ASN A 74 -7.358 -18.839 3.598 1.00 74.04 C ATOM 1048 OD1 ASN A 74 -7.120 -19.705 2.761 1.00 45.51 O ATOM 1049 ND2 ASN A 74 -6.499 -18.568 4.556 1.00 34.24 N ATOM 0 H ASN A 74 -9.726 -15.464 4.786 1.00 73.03 H new ATOM 0 HA ASN A 74 -7.763 -16.293 4.252 1.00 45.25 H new ATOM 0 HB2 ASN A 74 -9.216 -18.366 4.550 1.00 65.33 H new ATOM 0 HB3 ASN A 74 -9.312 -18.470 2.804 1.00 65.33 H new ATOM 0 HD21 ASN A 74 -5.619 -19.081 4.612 1.00 34.24 H new ATOM 0 HD22 ASN A 74 -6.713 -17.845 5.243 1.00 34.24 H new ATOM 1055 N TYR A 75 -8.363 -14.957 1.659 1.00 73.24 N ATOM 1056 CA TYR A 75 -8.066 -14.534 0.286 1.00 52.14 C ATOM 1057 C TYR A 75 -7.812 -13.036 0.111 1.00 64.13 C ATOM 1058 O TYR A 75 -7.772 -12.559 -1.020 1.00 13.54 O ATOM 1059 CB TYR A 75 -9.163 -15.059 -0.653 1.00 63.21 C ATOM 1060 CG TYR A 75 -10.615 -14.677 -0.413 1.00 54.55 C ATOM 1061 CD1 TYR A 75 -10.997 -13.505 0.270 1.00 14.50 C ATOM 1062 CD2 TYR A 75 -11.613 -15.500 -0.963 1.00 65.33 C ATOM 1063 CE1 TYR A 75 -12.351 -13.181 0.438 1.00 71.11 C ATOM 1064 CE2 TYR A 75 -12.971 -15.195 -0.795 1.00 44.15 C ATOM 1065 CZ TYR A 75 -13.344 -14.040 -0.075 1.00 42.54 C ATOM 1066 OH TYR A 75 -14.654 -13.759 0.139 1.00 21.03 O ATOM 0 H TYR A 75 -8.922 -14.283 2.182 1.00 73.24 H new ATOM 0 HA TYR A 75 -7.108 -14.980 0.018 1.00 52.14 H new ATOM 0 HB2 TYR A 75 -8.906 -14.739 -1.663 1.00 63.21 H new ATOM 0 HB3 TYR A 75 -9.108 -16.148 -0.640 1.00 63.21 H new ATOM 0 HD1 TYR A 75 -10.238 -12.848 0.669 1.00 14.50 H new ATOM 0 HD2 TYR A 75 -11.330 -16.379 -1.523 1.00 65.33 H new ATOM 0 HE1 TYR A 75 -12.632 -12.277 0.958 1.00 71.11 H new ATOM 0 HE2 TYR A 75 -13.728 -15.841 -1.215 1.00 44.15 H new ATOM 0 HH TYR A 75 -15.209 -14.449 -0.281 1.00 21.03 H new ATOM 1075 N ALA A 76 -7.680 -12.278 1.194 1.00 70.23 N ATOM 1076 CA ALA A 76 -7.351 -10.863 1.233 1.00 24.24 C ATOM 1077 C ALA A 76 -6.896 -10.549 2.654 1.00 13.52 C ATOM 1078 O ALA A 76 -7.061 -11.384 3.550 1.00 45.42 O ATOM 1079 CB ALA A 76 -8.601 -10.036 0.918 1.00 13.14 C ATOM 0 H ALA A 76 -7.809 -12.665 2.129 1.00 70.23 H new ATOM 0 HA ALA A 76 -6.576 -10.626 0.504 1.00 24.24 H new ATOM 0 HB1 ALA A 76 -8.352 -8.975 0.948 1.00 13.14 H new ATOM 0 HB2 ALA A 76 -8.968 -10.295 -0.075 1.00 13.14 H new ATOM 0 HB3 ALA A 76 -9.374 -10.248 1.657 1.00 13.14 H new ATOM 1085 N VAL A 77 -6.417 -9.327 2.887 1.00 2.11 N ATOM 1086 CA VAL A 77 -6.165 -8.822 4.232 1.00 70.11 C ATOM 1087 C VAL A 77 -6.725 -7.417 4.403 1.00 74.32 C ATOM 1088 O VAL A 77 -6.832 -6.636 3.465 1.00 73.11 O ATOM 1089 CB VAL A 77 -4.667 -8.860 4.585 1.00 52.42 C ATOM 1090 CG1 VAL A 77 -4.223 -10.263 5.012 1.00 62.13 C ATOM 1091 CG2 VAL A 77 -3.773 -8.307 3.470 1.00 71.14 C ATOM 0 H VAL A 77 -6.194 -8.661 2.147 1.00 2.11 H new ATOM 0 HA VAL A 77 -6.683 -9.483 4.927 1.00 70.11 H new ATOM 0 HB VAL A 77 -4.541 -8.193 5.438 1.00 52.42 H new ATOM 0 HG11 VAL A 77 -3.160 -10.251 5.253 1.00 62.13 H new ATOM 0 HG12 VAL A 77 -4.791 -10.573 5.889 1.00 62.13 H new ATOM 0 HG13 VAL A 77 -4.402 -10.965 4.197 1.00 62.13 H new ATOM 0 HG21 VAL A 77 -2.729 -8.361 3.780 1.00 71.14 H new ATOM 0 HG22 VAL A 77 -3.914 -8.897 2.564 1.00 71.14 H new ATOM 0 HG23 VAL A 77 -4.039 -7.269 3.272 1.00 71.14 H new ATOM 1101 N LYS A 78 -7.063 -7.089 5.636 1.00 5.23 N ATOM 1102 CA LYS A 78 -7.348 -5.774 6.159 1.00 24.42 C ATOM 1103 C LYS A 78 -6.019 -5.269 6.701 1.00 31.20 C ATOM 1104 O LYS A 78 -5.434 -5.949 7.544 1.00 13.14 O ATOM 1105 CB LYS A 78 -8.368 -5.970 7.288 1.00 41.51 C ATOM 1106 CG LYS A 78 -9.245 -4.747 7.545 1.00 73.14 C ATOM 1107 CD LYS A 78 -10.252 -5.056 8.656 1.00 43.53 C ATOM 1108 CE LYS A 78 -11.400 -5.970 8.218 1.00 53.54 C ATOM 1109 NZ LYS A 78 -12.564 -5.216 7.708 1.00 30.42 N ATOM 0 H LYS A 78 -7.152 -7.804 6.358 1.00 5.23 H new ATOM 0 HA LYS A 78 -7.752 -5.070 5.432 1.00 24.42 H new ATOM 0 HB2 LYS A 78 -9.007 -6.819 7.045 1.00 41.51 H new ATOM 0 HB3 LYS A 78 -7.837 -6.224 8.205 1.00 41.51 H new ATOM 0 HG2 LYS A 78 -8.625 -3.897 7.829 1.00 73.14 H new ATOM 0 HG3 LYS A 78 -9.771 -4.467 6.632 1.00 73.14 H new ATOM 0 HD2 LYS A 78 -9.727 -5.523 9.489 1.00 43.53 H new ATOM 0 HD3 LYS A 78 -10.668 -4.119 9.026 1.00 43.53 H new ATOM 0 HE2 LYS A 78 -11.044 -6.649 7.443 1.00 53.54 H new ATOM 0 HE3 LYS A 78 -11.712 -6.585 9.062 1.00 53.54 H new ATOM 0 HZ1 LYS A 78 -13.312 -5.881 7.425 1.00 30.42 H new ATOM 0 HZ2 LYS A 78 -12.924 -4.587 8.454 1.00 30.42 H new ATOM 0 HZ3 LYS A 78 -12.277 -4.648 6.885 1.00 30.42 H new ATOM 1119 N LEU A 79 -5.522 -4.140 6.209 1.00 23.11 N ATOM 1120 CA LEU A 79 -4.340 -3.459 6.733 1.00 74.01 C ATOM 1121 C LEU A 79 -4.864 -2.243 7.482 1.00 72.43 C ATOM 1122 O LEU A 79 -5.634 -1.465 6.914 1.00 44.44 O ATOM 1123 CB LEU A 79 -3.383 -3.072 5.586 1.00 72.25 C ATOM 1124 CG LEU A 79 -2.385 -4.174 5.159 1.00 10.31 C ATOM 1125 CD1 LEU A 79 -2.972 -5.578 5.151 1.00 4.33 C ATOM 1126 CD2 LEU A 79 -1.818 -3.874 3.767 1.00 2.53 C ATOM 0 H LEU A 79 -5.940 -3.659 5.413 1.00 23.11 H new ATOM 0 HA LEU A 79 -3.758 -4.097 7.398 1.00 74.01 H new ATOM 0 HB2 LEU A 79 -3.978 -2.788 4.718 1.00 72.25 H new ATOM 0 HB3 LEU A 79 -2.818 -2.190 5.888 1.00 72.25 H new ATOM 0 HG LEU A 79 -1.600 -4.157 5.916 1.00 10.31 H new ATOM 0 HD11 LEU A 79 -2.208 -6.290 4.841 1.00 4.33 H new ATOM 0 HD12 LEU A 79 -3.320 -5.833 6.152 1.00 4.33 H new ATOM 0 HD13 LEU A 79 -3.810 -5.618 4.455 1.00 4.33 H new ATOM 0 HD21 LEU A 79 -1.118 -4.659 3.482 1.00 2.53 H new ATOM 0 HD22 LEU A 79 -2.632 -3.834 3.043 1.00 2.53 H new ATOM 0 HD23 LEU A 79 -1.300 -2.915 3.784 1.00 2.53 H new ATOM 1137 N VAL A 80 -4.508 -2.135 8.759 1.00 70.41 N ATOM 1138 CA VAL A 80 -4.931 -1.047 9.639 1.00 34.02 C ATOM 1139 C VAL A 80 -3.859 0.044 9.608 1.00 3.10 C ATOM 1140 O VAL A 80 -2.668 -0.273 9.570 1.00 45.53 O ATOM 1141 CB VAL A 80 -5.146 -1.602 11.064 1.00 34.22 C ATOM 1142 CG1 VAL A 80 -5.796 -0.551 11.973 1.00 22.33 C ATOM 1143 CG2 VAL A 80 -6.038 -2.856 11.076 1.00 25.21 C ATOM 0 H VAL A 80 -3.905 -2.815 9.222 1.00 70.41 H new ATOM 0 HA VAL A 80 -5.874 -0.614 9.306 1.00 34.02 H new ATOM 0 HB VAL A 80 -4.155 -1.865 11.434 1.00 34.22 H new ATOM 0 HG11 VAL A 80 -5.936 -0.969 12.970 1.00 22.33 H new ATOM 0 HG12 VAL A 80 -5.152 0.326 12.034 1.00 22.33 H new ATOM 0 HG13 VAL A 80 -6.763 -0.262 11.562 1.00 22.33 H new ATOM 0 HG21 VAL A 80 -6.158 -3.207 12.101 1.00 25.21 H new ATOM 0 HG22 VAL A 80 -7.015 -2.612 10.659 1.00 25.21 H new ATOM 0 HG23 VAL A 80 -5.573 -3.639 10.477 1.00 25.21 H new ATOM 1153 N PHE A 81 -4.221 1.325 9.722 1.00 21.42 N ATOM 1154 CA PHE A 81 -3.249 2.414 9.713 1.00 70.04 C ATOM 1155 C PHE A 81 -3.443 3.306 10.933 1.00 42.52 C ATOM 1156 O PHE A 81 -4.566 3.536 11.373 1.00 22.44 O ATOM 1157 CB PHE A 81 -3.437 3.273 8.449 1.00 70.35 C ATOM 1158 CG PHE A 81 -3.305 2.557 7.116 1.00 34.12 C ATOM 1159 CD1 PHE A 81 -4.344 1.742 6.627 1.00 21.04 C ATOM 1160 CD2 PHE A 81 -2.156 2.750 6.331 1.00 43.43 C ATOM 1161 CE1 PHE A 81 -4.199 1.079 5.397 1.00 73.25 C ATOM 1162 CE2 PHE A 81 -2.020 2.112 5.091 1.00 42.22 C ATOM 1163 CZ PHE A 81 -3.033 1.255 4.633 1.00 50.15 C ATOM 0 H PHE A 81 -5.189 1.631 9.822 1.00 21.42 H new ATOM 0 HA PHE A 81 -2.249 1.980 9.728 1.00 70.04 H new ATOM 0 HB2 PHE A 81 -4.424 3.733 8.493 1.00 70.35 H new ATOM 0 HB3 PHE A 81 -2.707 4.082 8.475 1.00 70.35 H new ATOM 0 HD1 PHE A 81 -5.253 1.627 7.198 1.00 21.04 H new ATOM 0 HD2 PHE A 81 -1.369 3.398 6.687 1.00 43.43 H new ATOM 0 HE1 PHE A 81 -4.986 0.432 5.038 1.00 73.25 H new ATOM 0 HE2 PHE A 81 -1.139 2.279 4.490 1.00 42.22 H new ATOM 0 HZ PHE A 81 -2.916 0.732 3.695 1.00 50.15 H new ATOM 1172 N ASP A 82 -2.334 3.835 11.454 1.00 52.34 N ATOM 1173 CA ASP A 82 -2.276 4.513 12.750 1.00 5.43 C ATOM 1174 C ASP A 82 -3.044 5.839 12.740 1.00 21.23 C ATOM 1175 O ASP A 82 -3.414 6.356 13.797 1.00 4.52 O ATOM 1176 CB ASP A 82 -0.805 4.760 13.125 1.00 64.03 C ATOM 1177 CG ASP A 82 -0.338 3.909 14.301 1.00 63.05 C ATOM 1178 OD1 ASP A 82 -0.947 4.019 15.387 1.00 10.32 O ATOM 1179 OD2 ASP A 82 0.691 3.206 14.180 1.00 24.10 O ATOM 0 H ASP A 82 -1.433 3.803 10.977 1.00 52.34 H new ATOM 0 HA ASP A 82 -2.751 3.870 13.491 1.00 5.43 H new ATOM 0 HB2 ASP A 82 -0.175 4.551 12.260 1.00 64.03 H new ATOM 0 HB3 ASP A 82 -0.670 5.814 13.370 1.00 64.03 H new ATOM 1183 N ASP A 83 -3.307 6.372 11.544 1.00 23.42 N ATOM 1184 CA ASP A 83 -4.158 7.530 11.272 1.00 33.04 C ATOM 1185 C ASP A 83 -5.607 7.270 11.702 1.00 1.53 C ATOM 1186 O ASP A 83 -6.353 8.213 11.953 1.00 74.03 O ATOM 1187 CB ASP A 83 -4.094 7.850 9.770 1.00 33.03 C ATOM 1188 CG ASP A 83 -4.156 9.347 9.465 1.00 44.43 C ATOM 1189 OD1 ASP A 83 -5.210 9.996 9.656 1.00 63.11 O ATOM 1190 OD2 ASP A 83 -3.149 9.892 8.957 1.00 14.42 O ATOM 0 H ASP A 83 -2.907 5.983 10.690 1.00 23.42 H new ATOM 0 HA ASP A 83 -3.795 8.381 11.849 1.00 33.04 H new ATOM 0 HB2 ASP A 83 -3.172 7.441 9.358 1.00 33.03 H new ATOM 0 HB3 ASP A 83 -4.919 7.349 9.264 1.00 33.03 H new ATOM 1194 N GLY A 84 -5.985 5.996 11.844 1.00 72.23 N ATOM 1195 CA GLY A 84 -7.234 5.563 12.461 1.00 63.33 C ATOM 1196 C GLY A 84 -8.288 5.159 11.438 1.00 24.21 C ATOM 1197 O GLY A 84 -9.439 5.573 11.572 1.00 22.24 O ATOM 0 H GLY A 84 -5.410 5.217 11.522 1.00 72.23 H new ATOM 0 HA2 GLY A 84 -7.034 4.720 13.122 1.00 63.33 H new ATOM 0 HA3 GLY A 84 -7.626 6.369 13.081 1.00 63.33 H new ATOM 1201 N HIS A 85 -7.904 4.368 10.432 1.00 74.45 N ATOM 1202 CA HIS A 85 -8.800 3.803 9.428 1.00 51.12 C ATOM 1203 C HIS A 85 -8.415 2.329 9.261 1.00 43.23 C ATOM 1204 O HIS A 85 -7.220 2.004 9.244 1.00 30.00 O ATOM 1205 CB HIS A 85 -8.670 4.586 8.105 1.00 71.14 C ATOM 1206 CG HIS A 85 -9.882 4.494 7.205 1.00 14.12 C ATOM 1207 ND1 HIS A 85 -10.034 3.668 6.117 1.00 74.25 N ATOM 1208 CD2 HIS A 85 -11.018 5.257 7.293 1.00 71.02 C ATOM 1209 CE1 HIS A 85 -11.239 3.914 5.573 1.00 64.11 C ATOM 1210 NE2 HIS A 85 -11.862 4.899 6.235 1.00 51.24 N ATOM 0 H HIS A 85 -6.931 4.097 10.293 1.00 74.45 H new ATOM 0 HA HIS A 85 -9.844 3.877 9.734 1.00 51.12 H new ATOM 0 HB2 HIS A 85 -8.481 5.635 8.334 1.00 71.14 H new ATOM 0 HB3 HIS A 85 -7.800 4.217 7.562 1.00 71.14 H new ATOM 0 HD2 HIS A 85 -11.225 6.003 8.046 1.00 71.02 H new ATOM 0 HE1 HIS A 85 -11.648 3.391 4.721 1.00 64.11 H new ATOM 0 HE2 HIS A 85 -12.770 5.307 6.012 1.00 51.24 H new ATOM 1217 N ASP A 86 -9.407 1.444 9.132 1.00 14.51 N ATOM 1218 CA ASP A 86 -9.208 -0.007 9.042 1.00 34.00 C ATOM 1219 C ASP A 86 -9.967 -0.625 7.871 1.00 14.40 C ATOM 1220 O ASP A 86 -9.509 -1.618 7.306 1.00 21.12 O ATOM 1221 CB ASP A 86 -9.588 -0.714 10.358 1.00 23.14 C ATOM 1222 CG ASP A 86 -11.074 -1.076 10.457 1.00 5.23 C ATOM 1223 OD1 ASP A 86 -11.925 -0.168 10.368 1.00 34.41 O ATOM 1224 OD2 ASP A 86 -11.416 -2.276 10.590 1.00 1.41 O ATOM 0 H ASP A 86 -10.388 1.719 9.086 1.00 14.51 H new ATOM 0 HA ASP A 86 -8.144 -0.159 8.863 1.00 34.00 H new ATOM 0 HB2 ASP A 86 -8.995 -1.623 10.456 1.00 23.14 H new ATOM 0 HB3 ASP A 86 -9.324 -0.069 11.196 1.00 23.14 H new ATOM 1228 N THR A 87 -11.088 -0.050 7.444 1.00 12.20 N ATOM 1229 CA THR A 87 -11.792 -0.501 6.260 1.00 73.32 C ATOM 1230 C THR A 87 -10.940 -0.102 5.052 1.00 44.45 C ATOM 1231 O THR A 87 -10.679 1.078 4.817 1.00 70.25 O ATOM 1232 CB THR A 87 -13.240 0.021 6.254 1.00 23.11 C ATOM 1233 OG1 THR A 87 -13.371 1.412 6.488 1.00 31.01 O ATOM 1234 CG2 THR A 87 -14.057 -0.716 7.325 1.00 62.31 C ATOM 0 H THR A 87 -11.529 0.741 7.913 1.00 12.20 H new ATOM 0 HA THR A 87 -11.913 -1.584 6.231 1.00 73.32 H new ATOM 0 HB THR A 87 -13.608 -0.168 5.246 1.00 23.11 H new ATOM 0 HG1 THR A 87 -14.319 1.660 6.466 1.00 31.01 H new ATOM 0 HG21 THR A 87 -15.082 -0.345 7.320 1.00 62.31 H new ATOM 0 HG22 THR A 87 -14.056 -1.785 7.112 1.00 62.31 H new ATOM 0 HG23 THR A 87 -13.613 -0.542 8.305 1.00 62.31 H new ATOM 1242 N GLY A 88 -10.369 -1.081 4.353 1.00 30.33 N ATOM 1243 CA GLY A 88 -9.477 -0.819 3.235 1.00 11.14 C ATOM 1244 C GLY A 88 -9.465 -1.974 2.249 1.00 54.51 C ATOM 1245 O GLY A 88 -9.771 -1.750 1.085 1.00 43.35 O ATOM 0 H GLY A 88 -10.513 -2.072 4.547 1.00 30.33 H new ATOM 0 HA2 GLY A 88 -9.789 0.092 2.725 1.00 11.14 H new ATOM 0 HA3 GLY A 88 -8.467 -0.646 3.607 1.00 11.14 H new ATOM 1249 N LEU A 89 -9.178 -3.172 2.763 1.00 50.11 N ATOM 1250 CA LEU A 89 -9.277 -4.506 2.205 1.00 21.40 C ATOM 1251 C LEU A 89 -8.448 -4.691 0.925 1.00 65.32 C ATOM 1252 O LEU A 89 -8.737 -4.150 -0.139 1.00 54.14 O ATOM 1253 CB LEU A 89 -10.754 -4.858 2.036 1.00 64.05 C ATOM 1254 CG LEU A 89 -11.244 -6.236 2.495 1.00 73.41 C ATOM 1255 CD1 LEU A 89 -10.231 -7.355 2.325 1.00 30.24 C ATOM 1256 CD2 LEU A 89 -11.718 -6.180 3.955 1.00 22.11 C ATOM 0 H LEU A 89 -8.821 -3.225 3.717 1.00 50.11 H new ATOM 0 HA LEU A 89 -8.830 -5.216 2.901 1.00 21.40 H new ATOM 0 HB2 LEU A 89 -11.335 -4.107 2.571 1.00 64.05 H new ATOM 0 HB3 LEU A 89 -10.998 -4.757 0.979 1.00 64.05 H new ATOM 0 HG LEU A 89 -12.076 -6.480 1.834 1.00 73.41 H new ATOM 0 HD11 LEU A 89 -10.663 -8.293 2.675 1.00 30.24 H new ATOM 0 HD12 LEU A 89 -9.965 -7.449 1.272 1.00 30.24 H new ATOM 0 HD13 LEU A 89 -9.337 -7.128 2.906 1.00 30.24 H new ATOM 0 HD21 LEU A 89 -12.062 -7.167 4.264 1.00 22.11 H new ATOM 0 HD22 LEU A 89 -10.892 -5.867 4.594 1.00 22.11 H new ATOM 0 HD23 LEU A 89 -12.536 -5.466 4.045 1.00 22.11 H new ATOM 1267 N TYR A 90 -7.387 -5.478 1.042 1.00 22.13 N ATOM 1268 CA TYR A 90 -6.203 -5.503 0.190 1.00 64.23 C ATOM 1269 C TYR A 90 -6.066 -6.906 -0.421 1.00 41.21 C ATOM 1270 O TYR A 90 -5.729 -7.869 0.273 1.00 22.14 O ATOM 1271 CB TYR A 90 -4.956 -5.039 0.976 1.00 23.42 C ATOM 1272 CG TYR A 90 -4.909 -3.556 1.325 1.00 41.45 C ATOM 1273 CD1 TYR A 90 -5.721 -3.029 2.350 1.00 70.41 C ATOM 1274 CD2 TYR A 90 -4.043 -2.691 0.621 1.00 3.10 C ATOM 1275 CE1 TYR A 90 -5.723 -1.647 2.617 1.00 13.34 C ATOM 1276 CE2 TYR A 90 -4.031 -1.311 0.896 1.00 62.12 C ATOM 1277 CZ TYR A 90 -4.899 -0.774 1.871 1.00 24.42 C ATOM 1278 OH TYR A 90 -4.958 0.571 2.077 1.00 14.32 O ATOM 0 H TYR A 90 -7.326 -6.168 1.791 1.00 22.13 H new ATOM 0 HA TYR A 90 -6.303 -4.797 -0.634 1.00 64.23 H new ATOM 0 HB2 TYR A 90 -4.898 -5.613 1.901 1.00 23.42 H new ATOM 0 HB3 TYR A 90 -4.069 -5.284 0.392 1.00 23.42 H new ATOM 0 HD1 TYR A 90 -6.345 -3.689 2.934 1.00 70.41 H new ATOM 0 HD2 TYR A 90 -3.384 -3.092 -0.135 1.00 3.10 H new ATOM 0 HE1 TYR A 90 -6.358 -1.252 3.396 1.00 13.34 H new ATOM 0 HE2 TYR A 90 -3.356 -0.661 0.360 1.00 62.12 H new ATOM 0 HH TYR A 90 -4.270 1.015 1.539 1.00 14.32 H new ATOM 1287 N SER A 91 -6.388 -7.026 -1.714 1.00 33.12 N ATOM 1288 CA SER A 91 -6.344 -8.247 -2.519 1.00 32.54 C ATOM 1289 C SER A 91 -4.955 -8.466 -3.115 1.00 65.55 C ATOM 1290 O SER A 91 -4.344 -7.515 -3.591 1.00 5.14 O ATOM 1291 CB SER A 91 -7.389 -8.137 -3.641 1.00 14.22 C ATOM 1292 OG SER A 91 -8.688 -7.831 -3.150 1.00 64.14 O ATOM 0 H SER A 91 -6.705 -6.223 -2.257 1.00 33.12 H new ATOM 0 HA SER A 91 -6.568 -9.102 -1.880 1.00 32.54 H new ATOM 0 HB2 SER A 91 -7.080 -7.365 -4.346 1.00 14.22 H new ATOM 0 HB3 SER A 91 -7.425 -9.077 -4.192 1.00 14.22 H new ATOM 0 HG SER A 91 -9.315 -7.770 -3.900 1.00 64.14 H new ATOM 1297 N TRP A 92 -4.453 -9.701 -3.145 1.00 65.32 N ATOM 1298 CA TRP A 92 -3.120 -10.111 -3.582 1.00 53.04 C ATOM 1299 C TRP A 92 -2.684 -9.451 -4.891 1.00 45.03 C ATOM 1300 O TRP A 92 -1.578 -8.925 -4.969 1.00 30.51 O ATOM 1301 CB TRP A 92 -3.085 -11.641 -3.700 1.00 22.13 C ATOM 1302 CG TRP A 92 -3.595 -12.426 -2.520 1.00 13.21 C ATOM 1303 CD1 TRP A 92 -4.300 -13.578 -2.609 1.00 12.33 C ATOM 1304 CD2 TRP A 92 -3.508 -12.132 -1.088 1.00 43.24 C ATOM 1305 NE1 TRP A 92 -4.623 -14.026 -1.350 1.00 62.03 N ATOM 1306 CE2 TRP A 92 -4.170 -13.173 -0.374 1.00 23.23 C ATOM 1307 CE3 TRP A 92 -2.935 -11.102 -0.306 1.00 61.25 C ATOM 1308 CZ2 TRP A 92 -4.247 -13.205 1.024 1.00 52.43 C ATOM 1309 CZ3 TRP A 92 -2.967 -11.144 1.097 1.00 31.04 C ATOM 1310 CH2 TRP A 92 -3.618 -12.195 1.764 1.00 3.40 C ATOM 0 H TRP A 92 -5.010 -10.500 -2.842 1.00 65.32 H new ATOM 0 HA TRP A 92 -2.405 -9.774 -2.832 1.00 53.04 H new ATOM 0 HB2 TRP A 92 -3.668 -11.927 -4.576 1.00 22.13 H new ATOM 0 HB3 TRP A 92 -2.055 -11.943 -3.889 1.00 22.13 H new ATOM 0 HD1 TRP A 92 -4.569 -14.072 -3.531 1.00 12.33 H new ATOM 0 HE1 TRP A 92 -5.137 -14.887 -1.164 1.00 62.03 H new ATOM 0 HE3 TRP A 92 -2.463 -10.265 -0.799 1.00 61.25 H new ATOM 0 HZ2 TRP A 92 -4.784 -13.997 1.525 1.00 52.43 H new ATOM 0 HZ3 TRP A 92 -2.488 -10.362 1.668 1.00 31.04 H new ATOM 0 HH2 TRP A 92 -3.634 -12.224 2.843 1.00 3.40 H new ATOM 1320 N LYS A 93 -3.573 -9.437 -5.895 1.00 61.14 N ATOM 1321 CA LYS A 93 -3.319 -8.783 -7.177 1.00 31.22 C ATOM 1322 C LYS A 93 -2.966 -7.319 -6.981 1.00 5.23 C ATOM 1323 O LYS A 93 -2.046 -6.828 -7.629 1.00 64.55 O ATOM 1324 CB LYS A 93 -4.563 -8.944 -8.064 1.00 64.31 C ATOM 1325 CG LYS A 93 -4.362 -8.533 -9.536 1.00 4.03 C ATOM 1326 CD LYS A 93 -4.839 -7.095 -9.783 1.00 33.11 C ATOM 1327 CE LYS A 93 -4.732 -6.725 -11.263 1.00 10.14 C ATOM 1328 NZ LYS A 93 -5.313 -5.393 -11.519 1.00 32.50 N ATOM 0 H LYS A 93 -4.489 -9.881 -5.836 1.00 61.14 H new ATOM 0 HA LYS A 93 -2.464 -9.251 -7.665 1.00 31.22 H new ATOM 0 HB2 LYS A 93 -4.883 -9.986 -8.032 1.00 64.31 H new ATOM 0 HB3 LYS A 93 -5.373 -8.349 -7.642 1.00 64.31 H new ATOM 0 HG2 LYS A 93 -3.308 -8.619 -9.799 1.00 4.03 H new ATOM 0 HG3 LYS A 93 -4.909 -9.217 -10.185 1.00 4.03 H new ATOM 0 HD2 LYS A 93 -5.872 -6.990 -9.453 1.00 33.11 H new ATOM 0 HD3 LYS A 93 -4.242 -6.404 -9.188 1.00 33.11 H new ATOM 0 HE2 LYS A 93 -3.686 -6.734 -11.569 1.00 10.14 H new ATOM 0 HE3 LYS A 93 -5.247 -7.472 -11.866 1.00 10.14 H new ATOM 0 HZ1 LYS A 93 -5.228 -5.166 -12.530 1.00 32.50 H new ATOM 0 HZ2 LYS A 93 -6.317 -5.394 -11.248 1.00 32.50 H new ATOM 0 HZ3 LYS A 93 -4.804 -4.679 -10.960 1.00 32.50 H new ATOM 1338 N VAL A 94 -3.688 -6.631 -6.096 1.00 30.11 N ATOM 1339 CA VAL A 94 -3.434 -5.212 -5.863 1.00 22.31 C ATOM 1340 C VAL A 94 -2.026 -5.027 -5.292 1.00 50.15 C ATOM 1341 O VAL A 94 -1.271 -4.182 -5.773 1.00 65.21 O ATOM 1342 CB VAL A 94 -4.491 -4.605 -4.925 1.00 62.25 C ATOM 1343 CG1 VAL A 94 -4.196 -3.130 -4.647 1.00 63.41 C ATOM 1344 CG2 VAL A 94 -5.911 -4.709 -5.475 1.00 1.31 C ATOM 0 H VAL A 94 -4.443 -7.028 -5.536 1.00 30.11 H new ATOM 0 HA VAL A 94 -3.502 -4.685 -6.815 1.00 22.31 H new ATOM 0 HB VAL A 94 -4.432 -5.189 -4.007 1.00 62.25 H new ATOM 0 HG11 VAL A 94 -4.959 -2.726 -3.981 1.00 63.41 H new ATOM 0 HG12 VAL A 94 -3.217 -3.037 -4.176 1.00 63.41 H new ATOM 0 HG13 VAL A 94 -4.202 -2.575 -5.585 1.00 63.41 H new ATOM 0 HG21 VAL A 94 -6.609 -4.263 -4.767 1.00 1.31 H new ATOM 0 HG22 VAL A 94 -5.972 -4.181 -6.426 1.00 1.31 H new ATOM 0 HG23 VAL A 94 -6.167 -5.758 -5.625 1.00 1.31 H new ATOM 1354 N LEU A 95 -1.658 -5.800 -4.262 1.00 74.23 N ATOM 1355 CA LEU A 95 -0.371 -5.607 -3.605 1.00 70.53 C ATOM 1356 C LEU A 95 0.770 -5.875 -4.594 1.00 73.12 C ATOM 1357 O LEU A 95 1.749 -5.138 -4.591 1.00 61.31 O ATOM 1358 CB LEU A 95 -0.208 -6.483 -2.353 1.00 45.21 C ATOM 1359 CG LEU A 95 -1.169 -6.170 -1.185 1.00 3.22 C ATOM 1360 CD1 LEU A 95 -2.513 -6.865 -1.345 1.00 3.13 C ATOM 1361 CD2 LEU A 95 -0.565 -6.625 0.150 1.00 14.53 C ATOM 0 H LEU A 95 -2.227 -6.552 -3.875 1.00 74.23 H new ATOM 0 HA LEU A 95 -0.332 -4.570 -3.273 1.00 70.53 H new ATOM 0 HB2 LEU A 95 -0.344 -7.525 -2.641 1.00 45.21 H new ATOM 0 HB3 LEU A 95 0.816 -6.383 -1.993 1.00 45.21 H new ATOM 0 HG LEU A 95 -1.319 -5.090 -1.195 1.00 3.22 H new ATOM 0 HD11 LEU A 95 -3.155 -6.615 -0.500 1.00 3.13 H new ATOM 0 HD12 LEU A 95 -2.986 -6.535 -2.270 1.00 3.13 H new ATOM 0 HD13 LEU A 95 -2.363 -7.944 -1.380 1.00 3.13 H new ATOM 0 HD21 LEU A 95 -1.258 -6.395 0.960 1.00 14.53 H new ATOM 0 HD22 LEU A 95 -0.385 -7.700 0.120 1.00 14.53 H new ATOM 0 HD23 LEU A 95 0.377 -6.104 0.320 1.00 14.53 H new ATOM 1372 N TYR A 96 0.633 -6.907 -5.433 1.00 32.41 N ATOM 1373 CA TYR A 96 1.613 -7.326 -6.434 1.00 11.34 C ATOM 1374 C TYR A 96 1.772 -6.289 -7.548 1.00 62.53 C ATOM 1375 O TYR A 96 2.867 -6.135 -8.095 1.00 21.43 O ATOM 1376 CB TYR A 96 1.128 -8.684 -6.963 1.00 65.33 C ATOM 1377 CG TYR A 96 2.047 -9.577 -7.786 1.00 2.01 C ATOM 1378 CD1 TYR A 96 3.407 -9.286 -8.017 1.00 23.33 C ATOM 1379 CD2 TYR A 96 1.505 -10.776 -8.289 1.00 14.21 C ATOM 1380 CE1 TYR A 96 4.207 -10.188 -8.751 1.00 14.44 C ATOM 1381 CE2 TYR A 96 2.298 -11.667 -9.034 1.00 71.33 C ATOM 1382 CZ TYR A 96 3.660 -11.381 -9.271 1.00 32.52 C ATOM 1383 OH TYR A 96 4.428 -12.253 -9.987 1.00 71.13 O ATOM 0 H TYR A 96 -0.200 -7.496 -5.431 1.00 32.41 H new ATOM 0 HA TYR A 96 2.607 -7.416 -5.997 1.00 11.34 H new ATOM 0 HB2 TYR A 96 0.805 -9.266 -6.100 1.00 65.33 H new ATOM 0 HB3 TYR A 96 0.242 -8.493 -7.568 1.00 65.33 H new ATOM 0 HD1 TYR A 96 3.837 -8.373 -7.632 1.00 23.33 H new ATOM 0 HD2 TYR A 96 0.469 -11.014 -8.100 1.00 14.21 H new ATOM 0 HE1 TYR A 96 5.250 -9.963 -8.917 1.00 14.44 H new ATOM 0 HE2 TYR A 96 1.863 -12.574 -9.427 1.00 71.33 H new ATOM 0 HH TYR A 96 3.882 -13.019 -10.263 1.00 71.13 H new ATOM 1392 N ASP A 97 0.701 -5.574 -7.895 1.00 41.02 N ATOM 1393 CA ASP A 97 0.757 -4.457 -8.838 1.00 22.20 C ATOM 1394 C ASP A 97 1.643 -3.353 -8.285 1.00 44.14 C ATOM 1395 O ASP A 97 2.706 -3.064 -8.833 1.00 32.52 O ATOM 1396 CB ASP A 97 -0.647 -3.896 -9.120 1.00 32.32 C ATOM 1397 CG ASP A 97 -0.648 -2.763 -10.151 1.00 24.42 C ATOM 1398 OD1 ASP A 97 0.343 -2.592 -10.901 1.00 24.10 O ATOM 1399 OD2 ASP A 97 -1.708 -2.110 -10.254 1.00 74.31 O ATOM 0 H ASP A 97 -0.233 -5.754 -7.528 1.00 41.02 H new ATOM 0 HA ASP A 97 1.175 -4.829 -9.774 1.00 22.20 H new ATOM 0 HB2 ASP A 97 -1.289 -4.702 -9.475 1.00 32.32 H new ATOM 0 HB3 ASP A 97 -1.079 -3.531 -8.188 1.00 32.32 H new ATOM 1403 N LEU A 98 1.215 -2.785 -7.160 1.00 44.24 N ATOM 1404 CA LEU A 98 1.862 -1.684 -6.480 1.00 63.34 C ATOM 1405 C LEU A 98 3.317 -2.021 -6.208 1.00 65.45 C ATOM 1406 O LEU A 98 4.161 -1.174 -6.435 1.00 44.24 O ATOM 1407 CB LEU A 98 1.147 -1.454 -5.140 1.00 53.12 C ATOM 1408 CG LEU A 98 -0.210 -0.752 -5.295 1.00 72.43 C ATOM 1409 CD1 LEU A 98 -1.111 -1.073 -4.102 1.00 23.14 C ATOM 1410 CD2 LEU A 98 0.020 0.752 -5.361 1.00 1.02 C ATOM 0 H LEU A 98 0.370 -3.099 -6.683 1.00 44.24 H new ATOM 0 HA LEU A 98 1.813 -0.791 -7.103 1.00 63.34 H new ATOM 0 HB2 LEU A 98 0.999 -2.414 -4.645 1.00 53.12 H new ATOM 0 HB3 LEU A 98 1.787 -0.856 -4.491 1.00 53.12 H new ATOM 0 HG LEU A 98 -0.695 -1.101 -6.207 1.00 72.43 H new ATOM 0 HD11 LEU A 98 -2.070 -0.569 -4.224 1.00 23.14 H new ATOM 0 HD12 LEU A 98 -1.271 -2.150 -4.046 1.00 23.14 H new ATOM 0 HD13 LEU A 98 -0.635 -0.729 -3.184 1.00 23.14 H new ATOM 0 HD21 LEU A 98 -0.937 1.262 -5.471 1.00 1.02 H new ATOM 0 HD22 LEU A 98 0.506 1.086 -4.444 1.00 1.02 H new ATOM 0 HD23 LEU A 98 0.656 0.986 -6.215 1.00 1.02 H new ATOM 1421 N ALA A 99 3.612 -3.228 -5.718 1.00 33.53 N ATOM 1422 CA ALA A 99 4.966 -3.678 -5.413 1.00 43.15 C ATOM 1423 C ALA A 99 5.859 -3.611 -6.644 1.00 21.42 C ATOM 1424 O ALA A 99 6.886 -2.937 -6.610 1.00 34.50 O ATOM 1425 CB ALA A 99 4.919 -5.105 -4.880 1.00 74.12 C ATOM 0 H ALA A 99 2.900 -3.931 -5.520 1.00 33.53 H new ATOM 0 HA ALA A 99 5.388 -3.016 -4.656 1.00 43.15 H new ATOM 0 HB1 ALA A 99 5.930 -5.442 -4.652 1.00 74.12 H new ATOM 0 HB2 ALA A 99 4.314 -5.135 -3.974 1.00 74.12 H new ATOM 0 HB3 ALA A 99 4.479 -5.760 -5.632 1.00 74.12 H new ATOM 1431 N SER A 100 5.451 -4.268 -7.738 1.00 51.21 N ATOM 1432 CA SER A 100 6.197 -4.261 -8.990 1.00 24.40 C ATOM 1433 C SER A 100 6.400 -2.845 -9.531 1.00 33.32 C ATOM 1434 O SER A 100 7.275 -2.666 -10.384 1.00 54.44 O ATOM 1435 CB SER A 100 5.455 -5.110 -10.033 1.00 45.05 C ATOM 1436 OG SER A 100 6.163 -5.142 -11.263 1.00 21.24 O ATOM 0 H SER A 100 4.593 -4.818 -7.773 1.00 51.21 H new ATOM 0 HA SER A 100 7.183 -4.682 -8.791 1.00 24.40 H new ATOM 0 HB2 SER A 100 5.328 -6.125 -9.656 1.00 45.05 H new ATOM 0 HB3 SER A 100 4.457 -4.703 -10.195 1.00 45.05 H new ATOM 0 HG SER A 100 6.799 -4.397 -11.294 1.00 21.24 H new ATOM 1441 N ASN A 101 5.565 -1.895 -9.102 1.00 50.01 N ATOM 1442 CA ASN A 101 5.443 -0.575 -9.692 1.00 4.00 C ATOM 1443 C ASN A 101 5.585 0.536 -8.652 1.00 22.33 C ATOM 1444 O ASN A 101 5.001 1.607 -8.789 1.00 61.25 O ATOM 1445 CB ASN A 101 4.169 -0.514 -10.531 1.00 4.32 C ATOM 1446 CG ASN A 101 4.163 -1.505 -11.678 1.00 24.31 C ATOM 1447 OD1 ASN A 101 4.888 -1.337 -12.652 1.00 24.33 O ATOM 1448 ND2 ASN A 101 3.369 -2.558 -11.596 1.00 1.43 N ATOM 0 H ASN A 101 4.939 -2.036 -8.309 1.00 50.01 H new ATOM 0 HA ASN A 101 6.275 -0.394 -10.372 1.00 4.00 H new ATOM 0 HB2 ASN A 101 3.309 -0.705 -9.889 1.00 4.32 H new ATOM 0 HB3 ASN A 101 4.051 0.494 -10.929 1.00 4.32 H new ATOM 0 HD21 ASN A 101 3.354 -3.245 -12.350 1.00 1.43 H new ATOM 0 HD22 ASN A 101 2.772 -2.684 -10.779 1.00 1.43 H new ATOM 1454 N GLN A 102 6.354 0.325 -7.583 1.00 64.13 N ATOM 1455 CA GLN A 102 6.185 1.141 -6.388 1.00 11.40 C ATOM 1456 C GLN A 102 6.853 2.507 -6.538 1.00 33.42 C ATOM 1457 O GLN A 102 6.704 3.376 -5.677 1.00 24.11 O ATOM 1458 CB GLN A 102 6.739 0.374 -5.173 1.00 34.42 C ATOM 1459 CG GLN A 102 8.267 0.165 -5.207 1.00 43.22 C ATOM 1460 CD GLN A 102 8.722 -1.112 -4.501 1.00 63.31 C ATOM 1461 OE1 GLN A 102 9.465 -1.915 -5.064 1.00 4.22 O ATOM 1462 NE2 GLN A 102 8.298 -1.368 -3.277 1.00 10.13 N ATOM 0 H GLN A 102 7.082 -0.387 -7.522 1.00 64.13 H new ATOM 0 HA GLN A 102 5.123 1.332 -6.237 1.00 11.40 H new ATOM 0 HB2 GLN A 102 6.477 0.915 -4.264 1.00 34.42 H new ATOM 0 HB3 GLN A 102 6.251 -0.599 -5.117 1.00 34.42 H new ATOM 0 HG2 GLN A 102 8.599 0.135 -6.245 1.00 43.22 H new ATOM 0 HG3 GLN A 102 8.754 1.022 -4.741 1.00 43.22 H new ATOM 0 HE21 GLN A 102 7.682 -0.708 -2.802 1.00 10.13 H new ATOM 0 HE22 GLN A 102 8.587 -2.226 -2.806 1.00 10.13 H new ATOM 1469 N VAL A 103 7.606 2.678 -7.621 1.00 34.32 N ATOM 1470 CA VAL A 103 8.287 3.897 -7.967 1.00 45.45 C ATOM 1471 C VAL A 103 7.358 4.715 -8.857 1.00 52.34 C ATOM 1472 O VAL A 103 7.174 5.901 -8.607 1.00 13.20 O ATOM 1473 CB VAL A 103 9.609 3.564 -8.684 1.00 31.40 C ATOM 1474 CG1 VAL A 103 10.491 4.798 -8.615 1.00 22.31 C ATOM 1475 CG2 VAL A 103 10.370 2.374 -8.075 1.00 3.22 C ATOM 0 H VAL A 103 7.757 1.934 -8.302 1.00 34.32 H new ATOM 0 HA VAL A 103 8.534 4.477 -7.078 1.00 45.45 H new ATOM 0 HB VAL A 103 9.364 3.276 -9.706 1.00 31.40 H new ATOM 0 HG11 VAL A 103 11.438 4.596 -9.115 1.00 22.31 H new ATOM 0 HG12 VAL A 103 9.990 5.631 -9.108 1.00 22.31 H new ATOM 0 HG13 VAL A 103 10.678 5.054 -7.572 1.00 22.31 H new ATOM 0 HG21 VAL A 103 11.289 2.204 -8.636 1.00 3.22 H new ATOM 0 HG22 VAL A 103 10.615 2.592 -7.036 1.00 3.22 H new ATOM 0 HG23 VAL A 103 9.746 1.481 -8.121 1.00 3.22 H new ATOM 1485 N ASP A 104 6.782 4.090 -9.888 1.00 52.05 N ATOM 1486 CA ASP A 104 5.884 4.727 -10.850 1.00 44.33 C ATOM 1487 C ASP A 104 4.599 5.202 -10.177 1.00 30.20 C ATOM 1488 O ASP A 104 4.171 6.342 -10.341 1.00 41.02 O ATOM 1489 CB ASP A 104 5.531 3.736 -11.963 1.00 74.31 C ATOM 1490 CG ASP A 104 4.496 4.345 -12.921 1.00 23.42 C ATOM 1491 OD1 ASP A 104 4.764 5.434 -13.472 1.00 43.14 O ATOM 1492 OD2 ASP A 104 3.424 3.731 -13.141 1.00 41.05 O ATOM 0 H ASP A 104 6.933 3.100 -10.080 1.00 52.05 H new ATOM 0 HA ASP A 104 6.398 5.593 -11.268 1.00 44.33 H new ATOM 0 HB2 ASP A 104 6.431 3.466 -12.515 1.00 74.31 H new ATOM 0 HB3 ASP A 104 5.136 2.818 -11.528 1.00 74.31 H new ATOM 1496 N LEU A 105 4.007 4.326 -9.365 1.00 50.32 N ATOM 1497 CA LEU A 105 2.780 4.581 -8.625 1.00 51.02 C ATOM 1498 C LEU A 105 2.996 5.794 -7.731 1.00 73.43 C ATOM 1499 O LEU A 105 2.163 6.697 -7.699 1.00 14.31 O ATOM 1500 CB LEU A 105 2.444 3.351 -7.764 1.00 44.45 C ATOM 1501 CG LEU A 105 1.779 2.161 -8.485 1.00 53.45 C ATOM 1502 CD1 LEU A 105 0.257 2.324 -8.493 1.00 24.22 C ATOM 1503 CD2 LEU A 105 2.097 1.925 -9.939 1.00 25.13 C ATOM 0 H LEU A 105 4.383 3.392 -9.202 1.00 50.32 H new ATOM 0 HA LEU A 105 1.955 4.772 -9.312 1.00 51.02 H new ATOM 0 HB2 LEU A 105 3.366 2.997 -7.302 1.00 44.45 H new ATOM 0 HB3 LEU A 105 1.785 3.671 -6.957 1.00 44.45 H new ATOM 0 HG LEU A 105 2.184 1.331 -7.907 1.00 53.45 H new ATOM 0 HD11 LEU A 105 -0.197 1.476 -9.006 1.00 24.22 H new ATOM 0 HD12 LEU A 105 -0.110 2.367 -7.467 1.00 24.22 H new ATOM 0 HD13 LEU A 105 -0.008 3.245 -9.012 1.00 24.22 H new ATOM 0 HD21 LEU A 105 1.549 1.052 -10.294 1.00 25.13 H new ATOM 0 HD22 LEU A 105 1.805 2.798 -10.522 1.00 25.13 H new ATOM 0 HD23 LEU A 105 3.167 1.754 -10.054 1.00 25.13 H new ATOM 1514 N TRP A 106 4.116 5.799 -7.007 1.00 43.23 N ATOM 1515 CA TRP A 106 4.512 6.915 -6.179 1.00 22.44 C ATOM 1516 C TRP A 106 4.640 8.157 -7.037 1.00 70.43 C ATOM 1517 O TRP A 106 3.964 9.126 -6.718 1.00 50.25 O ATOM 1518 CB TRP A 106 5.776 6.553 -5.405 1.00 12.23 C ATOM 1519 CG TRP A 106 6.271 7.597 -4.456 1.00 73.12 C ATOM 1520 CD1 TRP A 106 7.503 8.142 -4.490 1.00 5.02 C ATOM 1521 CD2 TRP A 106 5.547 8.309 -3.407 1.00 3.41 C ATOM 1522 NE1 TRP A 106 7.636 9.066 -3.474 1.00 25.31 N ATOM 1523 CE2 TRP A 106 6.422 9.292 -2.850 1.00 54.35 C ATOM 1524 CE3 TRP A 106 4.226 8.268 -2.909 1.00 23.33 C ATOM 1525 CZ2 TRP A 106 5.981 10.221 -1.896 1.00 4.32 C ATOM 1526 CZ3 TRP A 106 3.789 9.164 -1.916 1.00 21.30 C ATOM 1527 CH2 TRP A 106 4.666 10.138 -1.408 1.00 53.42 C ATOM 0 H TRP A 106 4.772 5.018 -6.986 1.00 43.23 H new ATOM 0 HA TRP A 106 3.754 7.140 -5.429 1.00 22.44 H new ATOM 0 HB2 TRP A 106 5.588 5.637 -4.845 1.00 12.23 H new ATOM 0 HB3 TRP A 106 6.568 6.332 -6.120 1.00 12.23 H new ATOM 0 HD1 TRP A 106 8.272 7.893 -5.206 1.00 5.02 H new ATOM 0 HE1 TRP A 106 8.512 9.521 -3.217 1.00 25.31 H new ATOM 0 HE3 TRP A 106 3.537 7.533 -3.299 1.00 23.33 H new ATOM 0 HZ2 TRP A 106 6.646 10.993 -1.540 1.00 4.32 H new ATOM 0 HZ3 TRP A 106 2.777 9.103 -1.543 1.00 21.30 H new ATOM 0 HH2 TRP A 106 4.329 10.822 -0.643 1.00 53.42 H new ATOM 1537 N GLU A 107 5.425 8.128 -8.116 1.00 74.42 N ATOM 1538 CA GLU A 107 5.677 9.232 -9.042 1.00 1.40 C ATOM 1539 C GLU A 107 4.394 9.973 -9.424 1.00 63.13 C ATOM 1540 O GLU A 107 4.340 11.202 -9.395 1.00 54.23 O ATOM 1541 CB GLU A 107 6.331 8.710 -10.321 1.00 21.30 C ATOM 1542 CG GLU A 107 7.527 9.572 -10.760 1.00 11.00 C ATOM 1543 CD GLU A 107 7.235 11.072 -10.949 1.00 32.20 C ATOM 1544 OE1 GLU A 107 6.845 11.476 -12.077 1.00 42.14 O ATOM 1545 OE2 GLU A 107 7.525 11.861 -10.035 1.00 52.34 O ATOM 0 H GLU A 107 5.931 7.283 -8.382 1.00 74.42 H new ATOM 0 HA GLU A 107 6.339 9.927 -8.527 1.00 1.40 H new ATOM 0 HB2 GLU A 107 6.664 7.684 -10.163 1.00 21.30 H new ATOM 0 HB3 GLU A 107 5.591 8.685 -11.121 1.00 21.30 H new ATOM 0 HG2 GLU A 107 8.319 9.465 -10.019 1.00 11.00 H new ATOM 0 HG3 GLU A 107 7.913 9.175 -11.699 1.00 11.00 H new ATOM 1550 N ASN A 108 3.354 9.201 -9.762 1.00 41.41 N ATOM 1551 CA ASN A 108 2.033 9.718 -10.058 1.00 43.14 C ATOM 1552 C ASN A 108 1.485 10.703 -9.009 1.00 51.13 C ATOM 1553 O ASN A 108 0.731 11.595 -9.393 1.00 64.32 O ATOM 1554 CB ASN A 108 1.119 8.541 -10.448 1.00 64.51 C ATOM 1555 CG ASN A 108 -0.197 8.599 -9.719 1.00 13.33 C ATOM 1556 OD1 ASN A 108 -1.253 8.929 -10.247 1.00 24.14 O ATOM 1557 ND2 ASN A 108 -0.114 8.273 -8.450 1.00 65.21 N ATOM 0 H ASN A 108 3.418 8.186 -9.836 1.00 41.41 H new ATOM 0 HA ASN A 108 2.085 10.377 -10.924 1.00 43.14 H new ATOM 0 HB2 ASN A 108 0.941 8.558 -11.523 1.00 64.51 H new ATOM 0 HB3 ASN A 108 1.620 7.600 -10.222 1.00 64.51 H new ATOM 0 HD21 ASN A 108 -0.949 8.288 -7.864 1.00 65.21 H new ATOM 0 HD22 ASN A 108 0.785 8.004 -8.050 1.00 65.21 H new ATOM 1563 N TYR A 109 1.869 10.611 -7.729 1.00 73.45 N ATOM 1564 CA TYR A 109 1.413 11.546 -6.714 1.00 25.44 C ATOM 1565 C TYR A 109 2.280 12.780 -6.721 1.00 64.51 C ATOM 1566 O TYR A 109 1.728 13.868 -6.649 1.00 73.34 O ATOM 1567 CB TYR A 109 1.439 10.935 -5.314 1.00 10.13 C ATOM 1568 CG TYR A 109 0.432 9.829 -5.151 1.00 41.11 C ATOM 1569 CD1 TYR A 109 -0.943 10.114 -5.241 1.00 62.52 C ATOM 1570 CD2 TYR A 109 0.870 8.512 -4.949 1.00 41.43 C ATOM 1571 CE1 TYR A 109 -1.883 9.082 -5.117 1.00 62.41 C ATOM 1572 CE2 TYR A 109 -0.066 7.481 -4.809 1.00 73.12 C ATOM 1573 CZ TYR A 109 -1.447 7.761 -4.890 1.00 74.55 C ATOM 1574 OH TYR A 109 -2.348 6.764 -4.724 1.00 21.40 O ATOM 0 H TYR A 109 2.499 9.890 -7.379 1.00 73.45 H new ATOM 0 HA TYR A 109 0.382 11.802 -6.957 1.00 25.44 H new ATOM 0 HB2 TYR A 109 2.437 10.547 -5.108 1.00 10.13 H new ATOM 0 HB3 TYR A 109 1.242 11.714 -4.577 1.00 10.13 H new ATOM 0 HD1 TYR A 109 -1.274 11.129 -5.406 1.00 62.52 H new ATOM 0 HD2 TYR A 109 1.927 8.294 -4.902 1.00 41.43 H new ATOM 0 HE1 TYR A 109 -2.938 9.298 -5.195 1.00 62.41 H new ATOM 0 HE2 TYR A 109 0.269 6.469 -4.639 1.00 73.12 H new ATOM 0 HH TYR A 109 -1.972 5.924 -5.061 1.00 21.40 H new ATOM 1583 N LEU A 110 3.608 12.655 -6.823 1.00 54.45 N ATOM 1584 CA LEU A 110 4.509 13.803 -6.783 1.00 42.04 C ATOM 1585 C LEU A 110 4.108 14.819 -7.852 1.00 53.45 C ATOM 1586 O LEU A 110 4.168 16.029 -7.621 1.00 14.34 O ATOM 1587 CB LEU A 110 5.962 13.362 -7.007 1.00 34.23 C ATOM 1588 CG LEU A 110 6.546 12.436 -5.923 1.00 5.10 C ATOM 1589 CD1 LEU A 110 5.875 11.084 -5.847 1.00 10.41 C ATOM 1590 CD2 LEU A 110 8.001 12.143 -6.265 1.00 41.05 C ATOM 0 H LEU A 110 4.082 11.759 -6.935 1.00 54.45 H new ATOM 0 HA LEU A 110 4.433 14.264 -5.798 1.00 42.04 H new ATOM 0 HB2 LEU A 110 6.025 12.853 -7.969 1.00 34.23 H new ATOM 0 HB3 LEU A 110 6.587 14.252 -7.076 1.00 34.23 H new ATOM 0 HG LEU A 110 6.404 12.959 -4.978 1.00 5.10 H new ATOM 0 HD11 LEU A 110 6.341 10.490 -5.061 1.00 10.41 H new ATOM 0 HD12 LEU A 110 4.816 11.215 -5.623 1.00 10.41 H new ATOM 0 HD13 LEU A 110 5.983 10.570 -6.802 1.00 10.41 H new ATOM 0 HD21 LEU A 110 8.428 11.488 -5.506 1.00 41.05 H new ATOM 0 HD22 LEU A 110 8.055 11.654 -7.238 1.00 41.05 H new ATOM 0 HD23 LEU A 110 8.563 13.077 -6.296 1.00 41.05 H new ATOM 1601 N ALA A 111 3.657 14.317 -9.002 1.00 31.51 N ATOM 1602 CA ALA A 111 3.027 15.085 -10.052 1.00 43.02 C ATOM 1603 C ALA A 111 1.773 15.809 -9.544 1.00 1.44 C ATOM 1604 O ALA A 111 1.762 17.043 -9.503 1.00 73.21 O ATOM 1605 CB ALA A 111 2.707 14.133 -11.214 1.00 1.43 C ATOM 0 H ALA A 111 3.728 13.325 -9.227 1.00 31.51 H new ATOM 0 HA ALA A 111 3.705 15.866 -10.398 1.00 43.02 H new ATOM 0 HB1 ALA A 111 2.230 14.690 -12.020 1.00 1.43 H new ATOM 0 HB2 ALA A 111 3.630 13.683 -11.580 1.00 1.43 H new ATOM 0 HB3 ALA A 111 2.034 13.349 -10.867 1.00 1.43 H new ATOM 1611 N ARG A 112 0.711 15.068 -9.181 1.00 23.32 N ATOM 1612 CA ARG A 112 -0.586 15.645 -8.789 1.00 23.13 C ATOM 1613 C ARG A 112 -0.412 16.634 -7.638 1.00 30.13 C ATOM 1614 O ARG A 112 -0.924 17.746 -7.681 1.00 34.43 O ATOM 1615 CB ARG A 112 -1.620 14.578 -8.363 1.00 74.31 C ATOM 1616 CG ARG A 112 -1.743 13.280 -9.183 1.00 63.35 C ATOM 1617 CD ARG A 112 -3.136 12.979 -9.745 1.00 23.32 C ATOM 1618 NE ARG A 112 -3.325 13.565 -11.085 1.00 22.14 N ATOM 1619 CZ ARG A 112 -4.417 13.438 -11.850 1.00 22.43 C ATOM 1620 NH1 ARG A 112 -5.535 12.916 -11.358 1.00 34.32 N ATOM 1621 NH2 ARG A 112 -4.395 13.833 -13.116 1.00 71.22 N ATOM 0 H ARG A 112 0.729 14.049 -9.151 1.00 23.32 H new ATOM 0 HA ARG A 112 -0.965 16.151 -9.677 1.00 23.13 H new ATOM 0 HB2 ARG A 112 -1.395 14.296 -7.334 1.00 74.31 H new ATOM 0 HB3 ARG A 112 -2.600 15.055 -8.356 1.00 74.31 H new ATOM 0 HG2 ARG A 112 -1.039 13.329 -10.014 1.00 63.35 H new ATOM 0 HG3 ARG A 112 -1.437 12.444 -8.554 1.00 63.35 H new ATOM 0 HD2 ARG A 112 -3.282 11.900 -9.796 1.00 23.32 H new ATOM 0 HD3 ARG A 112 -3.894 13.371 -9.067 1.00 23.32 H new ATOM 0 HE ARG A 112 -2.555 14.117 -11.463 1.00 22.14 H new ATOM 0 HH11 ARG A 112 -5.569 12.606 -10.387 1.00 34.32 H new ATOM 0 HH12 ARG A 112 -6.360 12.825 -11.951 1.00 34.32 H new ATOM 0 HH21 ARG A 112 -3.544 14.235 -13.510 1.00 71.22 H new ATOM 0 HH22 ARG A 112 -5.229 13.735 -13.695 1.00 71.22 H new ATOM 1632 N LEU A 113 0.363 16.252 -6.621 1.00 65.35 N ATOM 1633 CA LEU A 113 0.734 17.021 -5.444 1.00 31.22 C ATOM 1634 C LEU A 113 1.190 18.403 -5.878 1.00 30.32 C ATOM 1635 O LEU A 113 0.627 19.400 -5.428 1.00 43.11 O ATOM 1636 CB LEU A 113 1.827 16.239 -4.687 1.00 62.24 C ATOM 1637 CG LEU A 113 2.661 16.996 -3.643 1.00 64.33 C ATOM 1638 CD1 LEU A 113 1.836 17.786 -2.648 1.00 73.51 C ATOM 1639 CD2 LEU A 113 3.457 15.996 -2.809 1.00 54.14 C ATOM 0 H LEU A 113 0.778 15.320 -6.604 1.00 65.35 H new ATOM 0 HA LEU A 113 -0.109 17.162 -4.768 1.00 31.22 H new ATOM 0 HB2 LEU A 113 1.349 15.397 -4.186 1.00 62.24 H new ATOM 0 HB3 LEU A 113 2.513 15.824 -5.425 1.00 62.24 H new ATOM 0 HG LEU A 113 3.282 17.683 -4.217 1.00 64.33 H new ATOM 0 HD11 LEU A 113 2.499 18.291 -1.945 1.00 73.51 H new ATOM 0 HD12 LEU A 113 1.237 18.526 -3.178 1.00 73.51 H new ATOM 0 HD13 LEU A 113 1.177 17.110 -2.103 1.00 73.51 H new ATOM 0 HD21 LEU A 113 4.050 16.531 -2.067 1.00 54.14 H new ATOM 0 HD22 LEU A 113 2.771 15.316 -2.304 1.00 54.14 H new ATOM 0 HD23 LEU A 113 4.119 15.425 -3.460 1.00 54.14 H new ATOM 1650 N ARG A 114 2.172 18.472 -6.779 1.00 22.51 N ATOM 1651 CA ARG A 114 2.694 19.752 -7.217 1.00 40.22 C ATOM 1652 C ARG A 114 1.663 20.564 -8.003 1.00 15.22 C ATOM 1653 O ARG A 114 1.624 21.786 -7.853 1.00 53.33 O ATOM 1654 CB ARG A 114 3.974 19.535 -8.028 1.00 33.50 C ATOM 1655 CG ARG A 114 5.167 19.221 -7.117 1.00 14.22 C ATOM 1656 CD ARG A 114 6.344 18.667 -7.927 1.00 32.20 C ATOM 1657 NE ARG A 114 7.588 18.742 -7.136 1.00 44.45 N ATOM 1658 CZ ARG A 114 8.379 17.730 -6.759 1.00 51.31 C ATOM 1659 NH1 ARG A 114 8.183 16.504 -7.233 1.00 23.31 N ATOM 1660 NH2 ARG A 114 9.367 17.951 -5.898 1.00 44.44 N ATOM 0 H ARG A 114 2.613 17.660 -7.212 1.00 22.51 H new ATOM 0 HA ARG A 114 2.930 20.342 -6.331 1.00 40.22 H new ATOM 0 HB2 ARG A 114 3.826 18.716 -8.732 1.00 33.50 H new ATOM 0 HB3 ARG A 114 4.189 20.427 -8.617 1.00 33.50 H new ATOM 0 HG2 ARG A 114 5.476 20.125 -6.591 1.00 14.22 H new ATOM 0 HG3 ARG A 114 4.870 18.497 -6.359 1.00 14.22 H new ATOM 0 HD2 ARG A 114 6.146 17.633 -8.209 1.00 32.20 H new ATOM 0 HD3 ARG A 114 6.457 19.234 -8.851 1.00 32.20 H new ATOM 0 HE ARG A 114 7.879 19.674 -6.842 1.00 44.45 H new ATOM 0 HH11 ARG A 114 7.424 16.327 -7.891 1.00 23.31 H new ATOM 0 HH12 ARG A 114 8.792 15.740 -6.939 1.00 23.31 H new ATOM 0 HH21 ARG A 114 9.520 18.889 -5.527 1.00 44.44 H new ATOM 0 HH22 ARG A 114 9.972 17.183 -5.608 1.00 44.44 H new ATOM 1671 N ALA A 115 0.831 19.931 -8.832 1.00 20.33 N ATOM 1672 CA ALA A 115 -0.220 20.614 -9.586 1.00 35.13 C ATOM 1673 C ALA A 115 -1.407 21.016 -8.694 1.00 54.33 C ATOM 1674 O ALA A 115 -2.230 21.849 -9.079 1.00 74.34 O ATOM 1675 CB ALA A 115 -0.691 19.710 -10.727 1.00 64.52 C ATOM 0 H ALA A 115 0.868 18.926 -8.999 1.00 20.33 H new ATOM 0 HA ALA A 115 0.198 21.536 -9.991 1.00 35.13 H new ATOM 0 HB1 ALA A 115 -1.475 20.215 -11.292 1.00 64.52 H new ATOM 0 HB2 ALA A 115 0.148 19.490 -11.387 1.00 64.52 H new ATOM 0 HB3 ALA A 115 -1.083 18.779 -10.316 1.00 64.52 H new ATOM 1681 N ALA A 116 -1.478 20.472 -7.481 1.00 21.33 N ATOM 1682 CA ALA A 116 -2.488 20.741 -6.464 1.00 73.35 C ATOM 1683 C ALA A 116 -1.906 21.582 -5.327 1.00 42.35 C ATOM 1684 O ALA A 116 -2.619 21.917 -4.383 1.00 4.43 O ATOM 1685 CB ALA A 116 -3.063 19.419 -5.942 1.00 45.04 C ATOM 0 H ALA A 116 -0.789 19.790 -7.164 1.00 21.33 H new ATOM 0 HA ALA A 116 -3.298 21.317 -6.912 1.00 73.35 H new ATOM 0 HB1 ALA A 116 -3.817 19.625 -5.182 1.00 45.04 H new ATOM 0 HB2 ALA A 116 -3.518 18.870 -6.766 1.00 45.04 H new ATOM 0 HB3 ALA A 116 -2.263 18.821 -5.506 1.00 45.04 H new ATOM 1691 N LYS A 117 -0.621 21.956 -5.427 1.00 2.42 N ATOM 1692 CA LYS A 117 0.114 22.781 -4.473 1.00 40.13 C ATOM 1693 C LYS A 117 0.038 22.235 -3.037 1.00 74.15 C ATOM 1694 O LYS A 117 0.182 23.009 -2.094 1.00 0.44 O ATOM 1695 CB LYS A 117 -0.356 24.248 -4.587 1.00 24.10 C ATOM 1696 CG LYS A 117 -0.273 24.849 -6.002 1.00 11.34 C ATOM 1697 CD LYS A 117 -1.429 24.441 -6.932 1.00 35.43 C ATOM 1698 CE LYS A 117 -1.946 25.604 -7.778 1.00 54.25 C ATOM 1699 NZ LYS A 117 -3.081 26.278 -7.120 1.00 11.44 N ATOM 0 H LYS A 117 -0.043 21.673 -6.218 1.00 2.42 H new ATOM 0 HA LYS A 117 1.173 22.744 -4.728 1.00 40.13 H new ATOM 0 HB2 LYS A 117 -1.388 24.311 -4.242 1.00 24.10 H new ATOM 0 HB3 LYS A 117 0.244 24.859 -3.913 1.00 24.10 H new ATOM 0 HG2 LYS A 117 -0.253 25.936 -5.922 1.00 11.34 H new ATOM 0 HG3 LYS A 117 0.669 24.546 -6.458 1.00 11.34 H new ATOM 0 HD2 LYS A 117 -1.094 23.639 -7.590 1.00 35.43 H new ATOM 0 HD3 LYS A 117 -2.247 24.041 -6.333 1.00 35.43 H new ATOM 0 HE2 LYS A 117 -1.142 26.320 -7.946 1.00 54.25 H new ATOM 0 HE3 LYS A 117 -2.255 25.236 -8.756 1.00 54.25 H new ATOM 0 HZ1 LYS A 117 -3.412 27.063 -7.716 1.00 11.44 H new ATOM 0 HZ2 LYS A 117 -3.856 25.598 -6.982 1.00 11.44 H new ATOM 0 HZ3 LYS A 117 -2.777 26.649 -6.197 1.00 11.44 H new ATOM 1709 N ALA A 118 -0.200 20.934 -2.852 1.00 42.11 N ATOM 1710 CA ALA A 118 -0.478 20.365 -1.540 1.00 30.44 C ATOM 1711 C ALA A 118 0.804 20.175 -0.708 1.00 24.34 C ATOM 1712 O ALA A 118 1.909 20.513 -1.149 1.00 5.14 O ATOM 1713 CB ALA A 118 -1.312 19.084 -1.698 1.00 70.51 C ATOM 0 H ALA A 118 -0.204 20.250 -3.609 1.00 42.11 H new ATOM 0 HA ALA A 118 -1.076 21.070 -0.963 1.00 30.44 H new ATOM 0 HB1 ALA A 118 -1.518 18.661 -0.715 1.00 70.51 H new ATOM 0 HB2 ALA A 118 -2.252 19.321 -2.196 1.00 70.51 H new ATOM 0 HB3 ALA A 118 -0.758 18.360 -2.296 1.00 70.51 H new ATOM 1719 N SER A 119 0.647 19.643 0.509 1.00 13.31 N ATOM 1720 CA SER A 119 1.706 19.515 1.512 1.00 31.10 C ATOM 1721 C SER A 119 2.717 18.390 1.199 1.00 61.11 C ATOM 1722 O SER A 119 2.394 17.419 0.513 1.00 63.52 O ATOM 1723 CB SER A 119 1.055 19.263 2.879 1.00 14.03 C ATOM 1724 OG SER A 119 -0.084 20.073 3.124 1.00 14.04 O ATOM 0 H SER A 119 -0.249 19.279 0.832 1.00 13.31 H new ATOM 0 HA SER A 119 2.275 20.445 1.509 1.00 31.10 H new ATOM 0 HB2 SER A 119 0.766 18.214 2.947 1.00 14.03 H new ATOM 0 HB3 SER A 119 1.792 19.441 3.662 1.00 14.03 H new ATOM 0 HG SER A 119 -0.451 19.863 4.008 1.00 14.04 H new ATOM 1729 N ARG A 120 3.935 18.487 1.754 1.00 52.14 N ATOM 1730 CA ARG A 120 5.079 17.602 1.542 1.00 71.23 C ATOM 1731 C ARG A 120 5.624 17.153 2.904 1.00 14.50 C ATOM 1732 O ARG A 120 6.655 17.637 3.371 1.00 63.41 O ATOM 1733 CB ARG A 120 6.184 18.287 0.702 1.00 10.33 C ATOM 1734 CG ARG A 120 5.708 18.906 -0.618 1.00 73.52 C ATOM 1735 CD ARG A 120 5.297 20.384 -0.524 1.00 44.21 C ATOM 1736 NE ARG A 120 6.365 21.320 -0.955 1.00 2.20 N ATOM 1737 CZ ARG A 120 6.424 22.611 -0.589 1.00 72.53 C ATOM 1738 NH1 ARG A 120 5.824 23.007 0.523 1.00 71.52 N ATOM 1739 NH2 ARG A 120 7.080 23.507 -1.316 1.00 0.40 N ATOM 0 H ARG A 120 4.156 19.239 2.407 1.00 52.14 H new ATOM 0 HA ARG A 120 4.748 16.731 0.977 1.00 71.23 H new ATOM 0 HB2 ARG A 120 6.646 19.068 1.306 1.00 10.33 H new ATOM 0 HB3 ARG A 120 6.959 17.553 0.482 1.00 10.33 H new ATOM 0 HG2 ARG A 120 6.505 18.811 -1.356 1.00 73.52 H new ATOM 0 HG3 ARG A 120 4.860 18.330 -0.988 1.00 73.52 H new ATOM 0 HD2 ARG A 120 4.411 20.547 -1.138 1.00 44.21 H new ATOM 0 HD3 ARG A 120 5.018 20.611 0.505 1.00 44.21 H new ATOM 0 HE ARG A 120 7.099 20.961 -1.566 1.00 2.20 H new ATOM 0 HH11 ARG A 120 5.319 22.333 1.098 1.00 71.52 H new ATOM 0 HH12 ARG A 120 5.866 23.986 0.804 1.00 71.52 H new ATOM 0 HH21 ARG A 120 7.553 23.221 -2.173 1.00 0.40 H new ATOM 0 HH22 ARG A 120 7.111 24.482 -1.018 1.00 0.40 H new ATOM 1750 N GLU A 121 4.912 16.245 3.557 1.00 21.31 N ATOM 1751 CA GLU A 121 5.291 15.576 4.811 1.00 2.12 C ATOM 1752 C GLU A 121 6.592 14.749 4.638 1.00 51.34 C ATOM 1753 O GLU A 121 7.098 14.608 3.512 1.00 21.11 O ATOM 1754 CB GLU A 121 4.076 14.768 5.341 1.00 73.25 C ATOM 1755 CG GLU A 121 2.748 15.543 5.339 1.00 71.03 C ATOM 1756 CD GLU A 121 2.940 17.000 5.787 1.00 23.33 C ATOM 1757 OE1 GLU A 121 3.282 17.230 6.973 1.00 4.43 O ATOM 1758 OE2 GLU A 121 2.847 17.913 4.946 1.00 33.14 O ATOM 0 H GLU A 121 4.004 15.933 3.214 1.00 21.31 H new ATOM 0 HA GLU A 121 5.539 16.312 5.576 1.00 2.12 H new ATOM 0 HB2 GLU A 121 3.960 13.870 4.734 1.00 73.25 H new ATOM 0 HB3 GLU A 121 4.289 14.440 6.358 1.00 73.25 H new ATOM 0 HG2 GLU A 121 2.317 15.524 4.338 1.00 71.03 H new ATOM 0 HG3 GLU A 121 2.037 15.049 6.002 1.00 71.03 H new ATOM 1763 N PRO A 122 7.246 14.317 5.731 1.00 25.12 N ATOM 1764 CA PRO A 122 8.538 13.633 5.675 1.00 12.14 C ATOM 1765 C PRO A 122 8.411 12.161 5.284 1.00 21.03 C ATOM 1766 O PRO A 122 7.760 11.381 5.983 1.00 33.02 O ATOM 1767 CB PRO A 122 9.137 13.770 7.074 1.00 5.33 C ATOM 1768 CG PRO A 122 7.916 13.884 7.971 1.00 31.03 C ATOM 1769 CD PRO A 122 6.907 14.626 7.112 1.00 1.33 C ATOM 0 HA PRO A 122 9.170 14.080 4.907 1.00 12.14 H new ATOM 0 HB2 PRO A 122 9.748 12.906 7.336 1.00 5.33 H new ATOM 0 HB3 PRO A 122 9.777 14.649 7.153 1.00 5.33 H new ATOM 0 HG2 PRO A 122 7.545 12.903 8.268 1.00 31.03 H new ATOM 0 HG3 PRO A 122 8.141 14.431 8.887 1.00 31.03 H new ATOM 0 HD2 PRO A 122 5.890 14.309 7.344 1.00 1.33 H new ATOM 0 HD3 PRO A 122 6.955 15.700 7.294 1.00 1.33 H new ATOM 1774 N LEU A 123 9.012 11.795 4.155 1.00 30.11 N ATOM 1775 CA LEU A 123 8.896 10.480 3.521 1.00 52.21 C ATOM 1776 C LEU A 123 10.209 9.872 3.062 1.00 11.14 C ATOM 1777 O LEU A 123 10.210 8.809 2.443 1.00 2.53 O ATOM 1778 CB LEU A 123 7.824 10.445 2.418 1.00 11.21 C ATOM 1779 CG LEU A 123 8.112 11.096 1.053 1.00 1.13 C ATOM 1780 CD1 LEU A 123 8.921 12.376 1.230 1.00 21.21 C ATOM 1781 CD2 LEU A 123 8.835 10.195 0.046 1.00 34.43 C ATOM 0 H LEU A 123 9.618 12.430 3.634 1.00 30.11 H new ATOM 0 HA LEU A 123 8.556 9.828 4.326 1.00 52.21 H new ATOM 0 HB2 LEU A 123 7.580 9.399 2.235 1.00 11.21 H new ATOM 0 HB3 LEU A 123 6.927 10.916 2.821 1.00 11.21 H new ATOM 0 HG LEU A 123 7.127 11.303 0.635 1.00 1.13 H new ATOM 0 HD11 LEU A 123 9.115 12.822 0.254 1.00 21.21 H new ATOM 0 HD12 LEU A 123 8.360 13.079 1.845 1.00 21.21 H new ATOM 0 HD13 LEU A 123 9.868 12.143 1.717 1.00 21.21 H new ATOM 0 HD21 LEU A 123 8.993 10.742 -0.884 1.00 34.43 H new ATOM 0 HD22 LEU A 123 9.798 9.891 0.456 1.00 34.43 H new ATOM 0 HD23 LEU A 123 8.229 9.311 -0.152 1.00 34.43 H new ATOM 1792 N ILE A 124 11.326 10.544 3.310 1.00 30.34 N ATOM 1793 CA ILE A 124 12.610 10.113 2.811 1.00 73.02 C ATOM 1794 C ILE A 124 12.961 8.799 3.513 1.00 22.31 C ATOM 1795 O ILE A 124 12.669 8.609 4.695 1.00 5.42 O ATOM 1796 CB ILE A 124 13.660 11.218 3.019 1.00 14.41 C ATOM 1797 CG1 ILE A 124 13.237 12.600 2.445 1.00 21.23 C ATOM 1798 CG2 ILE A 124 14.984 10.817 2.355 1.00 61.34 C ATOM 1799 CD1 ILE A 124 12.394 13.515 3.347 1.00 52.25 C ATOM 0 H ILE A 124 11.359 11.401 3.863 1.00 30.34 H new ATOM 0 HA ILE A 124 12.585 9.932 1.736 1.00 73.02 H new ATOM 0 HB ILE A 124 13.766 11.323 4.099 1.00 14.41 H new ATOM 0 HG12 ILE A 124 14.142 13.141 2.169 1.00 21.23 H new ATOM 0 HG13 ILE A 124 12.677 12.426 1.526 1.00 21.23 H new ATOM 0 HG21 ILE A 124 15.721 11.605 2.508 1.00 61.34 H new ATOM 0 HG22 ILE A 124 15.347 9.890 2.798 1.00 61.34 H new ATOM 0 HG23 ILE A 124 14.825 10.670 1.287 1.00 61.34 H new ATOM 0 HD11 ILE A 124 12.173 14.443 2.819 1.00 52.25 H new ATOM 0 HD12 ILE A 124 11.462 13.013 3.605 1.00 52.25 H new ATOM 0 HD13 ILE A 124 12.949 13.739 4.258 1.00 52.25 H new ATOM 1810 N ASP A 125 13.588 7.907 2.766 1.00 11.10 N ATOM 1811 CA ASP A 125 14.150 6.628 3.181 1.00 61.03 C ATOM 1812 C ASP A 125 15.550 6.586 2.593 1.00 13.43 C ATOM 1813 O ASP A 125 15.722 6.899 1.413 1.00 34.11 O ATOM 1814 CB ASP A 125 13.292 5.467 2.655 1.00 23.31 C ATOM 1815 CG ASP A 125 13.900 4.071 2.887 1.00 22.10 C ATOM 1816 OD1 ASP A 125 14.902 3.934 3.622 1.00 72.03 O ATOM 1817 OD2 ASP A 125 13.312 3.090 2.375 1.00 73.44 O ATOM 0 H ASP A 125 13.730 8.070 1.769 1.00 11.10 H new ATOM 0 HA ASP A 125 14.174 6.527 4.266 1.00 61.03 H new ATOM 0 HB2 ASP A 125 12.314 5.508 3.134 1.00 23.31 H new ATOM 0 HB3 ASP A 125 13.130 5.606 1.586 1.00 23.31 H new ATOM 1821 N MET A 126 16.549 6.272 3.410 1.00 44.53 N ATOM 1822 CA MET A 126 17.964 6.311 3.065 1.00 14.24 C ATOM 1823 C MET A 126 18.594 4.930 3.294 1.00 11.24 C ATOM 1824 O MET A 126 19.787 4.832 3.597 1.00 71.45 O ATOM 1825 CB MET A 126 18.608 7.453 3.871 1.00 73.14 C ATOM 1826 CG MET A 126 19.846 8.037 3.196 1.00 42.45 C ATOM 1827 SD MET A 126 20.537 9.496 4.027 1.00 61.15 S ATOM 1828 CE MET A 126 19.226 10.719 3.729 1.00 72.23 C ATOM 0 H MET A 126 16.387 5.971 4.371 1.00 44.53 H new ATOM 0 HA MET A 126 18.129 6.525 2.009 1.00 14.24 H new ATOM 0 HB2 MET A 126 17.874 8.245 4.018 1.00 73.14 H new ATOM 0 HB3 MET A 126 18.881 7.083 4.860 1.00 73.14 H new ATOM 0 HG2 MET A 126 20.614 7.266 3.144 1.00 42.45 H new ATOM 0 HG3 MET A 126 19.593 8.304 2.170 1.00 42.45 H new ATOM 0 HE1 MET A 126 19.602 11.717 3.954 1.00 72.23 H new ATOM 0 HE2 MET A 126 18.918 10.675 2.685 1.00 72.23 H new ATOM 0 HE3 MET A 126 18.372 10.500 4.369 1.00 72.23 H new ATOM 1836 N ALA A 127 17.790 3.861 3.212 1.00 31.13 N ATOM 1837 CA ALA A 127 18.157 2.484 3.481 1.00 45.14 C ATOM 1838 C ALA A 127 17.560 1.537 2.434 1.00 64.02 C ATOM 1839 O ALA A 127 16.814 0.608 2.758 1.00 61.24 O ATOM 1840 CB ALA A 127 17.734 2.130 4.905 1.00 2.42 C ATOM 0 H ALA A 127 16.811 3.951 2.939 1.00 31.13 H new ATOM 0 HA ALA A 127 19.238 2.367 3.406 1.00 45.14 H new ATOM 0 HB1 ALA A 127 18.005 1.096 5.119 1.00 2.42 H new ATOM 0 HB2 ALA A 127 18.239 2.791 5.610 1.00 2.42 H new ATOM 0 HB3 ALA A 127 16.655 2.250 5.005 1.00 2.42 H new ATOM 1846 N VAL A 128 17.894 1.778 1.170 1.00 21.04 N ATOM 1847 CA VAL A 128 17.582 0.918 0.030 1.00 51.13 C ATOM 1848 C VAL A 128 18.829 0.079 -0.289 1.00 5.53 C ATOM 1849 O VAL A 128 19.948 0.537 -0.040 1.00 63.04 O ATOM 1850 CB VAL A 128 17.115 1.813 -1.144 1.00 73.32 C ATOM 1851 CG1 VAL A 128 18.256 2.619 -1.788 1.00 63.35 C ATOM 1852 CG2 VAL A 128 16.369 1.008 -2.218 1.00 25.11 C ATOM 0 H VAL A 128 18.412 2.614 0.899 1.00 21.04 H new ATOM 0 HA VAL A 128 16.770 0.222 0.239 1.00 51.13 H new ATOM 0 HB VAL A 128 16.425 2.529 -0.698 1.00 73.32 H new ATOM 0 HG11 VAL A 128 17.859 3.224 -2.603 1.00 63.35 H new ATOM 0 HG12 VAL A 128 18.709 3.270 -1.040 1.00 63.35 H new ATOM 0 HG13 VAL A 128 19.010 1.935 -2.178 1.00 63.35 H new ATOM 0 HG21 VAL A 128 16.059 1.675 -3.023 1.00 25.11 H new ATOM 0 HG22 VAL A 128 17.028 0.238 -2.618 1.00 25.11 H new ATOM 0 HG23 VAL A 128 15.490 0.540 -1.776 1.00 25.11 H new ATOM 1862 N LYS A 129 18.662 -1.134 -0.823 1.00 32.01 N ATOM 1863 CA LYS A 129 19.685 -1.950 -1.489 1.00 24.32 C ATOM 1864 C LYS A 129 19.010 -2.910 -2.467 1.00 1.10 C ATOM 1865 O LYS A 129 18.683 -4.040 -2.094 1.00 44.51 O ATOM 1866 CB LYS A 129 20.608 -2.711 -0.507 1.00 32.41 C ATOM 1867 CG LYS A 129 21.839 -1.882 -0.104 1.00 51.13 C ATOM 1868 CD LYS A 129 23.001 -2.717 0.435 1.00 54.32 C ATOM 1869 CE LYS A 129 23.723 -3.448 -0.706 1.00 63.13 C ATOM 1870 NZ LYS A 129 24.872 -4.202 -0.177 1.00 43.32 N ATOM 0 H LYS A 129 17.756 -1.602 -0.802 1.00 32.01 H new ATOM 0 HA LYS A 129 20.340 -1.268 -2.030 1.00 24.32 H new ATOM 0 HB2 LYS A 129 20.044 -2.978 0.387 1.00 32.41 H new ATOM 0 HB3 LYS A 129 20.935 -3.643 -0.967 1.00 32.41 H new ATOM 0 HG2 LYS A 129 22.183 -1.316 -0.970 1.00 51.13 H new ATOM 0 HG3 LYS A 129 21.544 -1.157 0.654 1.00 51.13 H new ATOM 0 HD2 LYS A 129 23.704 -2.072 0.962 1.00 54.32 H new ATOM 0 HD3 LYS A 129 22.629 -3.442 1.159 1.00 54.32 H new ATOM 0 HE2 LYS A 129 23.033 -4.126 -1.208 1.00 63.13 H new ATOM 0 HE3 LYS A 129 24.062 -2.729 -1.452 1.00 63.13 H new ATOM 0 HZ1 LYS A 129 25.354 -4.693 -0.957 1.00 43.32 H new ATOM 0 HZ2 LYS A 129 25.536 -3.546 0.282 1.00 43.32 H new ATOM 0 HZ3 LYS A 129 24.539 -4.900 0.518 1.00 43.32 H new ATOM 1880 N TYR A 130 18.841 -2.501 -3.719 1.00 62.41 N ATOM 1881 CA TYR A 130 18.400 -3.385 -4.796 1.00 72.32 C ATOM 1882 C TYR A 130 19.476 -4.427 -5.103 1.00 42.15 C ATOM 1883 O TYR A 130 20.622 -4.036 -5.365 1.00 41.43 O ATOM 1884 CB TYR A 130 17.907 -2.671 -6.060 1.00 13.44 C ATOM 1885 CG TYR A 130 18.451 -1.283 -6.246 1.00 33.13 C ATOM 1886 CD1 TYR A 130 17.886 -0.317 -5.407 1.00 13.33 C ATOM 1887 CD2 TYR A 130 19.479 -0.965 -7.141 1.00 62.25 C ATOM 1888 CE1 TYR A 130 18.330 1.014 -5.478 1.00 41.13 C ATOM 1889 CE2 TYR A 130 19.942 0.359 -7.200 1.00 10.41 C ATOM 1890 CZ TYR A 130 19.360 1.357 -6.384 1.00 44.32 C ATOM 1891 OH TYR A 130 19.869 2.615 -6.401 1.00 53.04 O ATOM 0 H TYR A 130 19.007 -1.540 -4.019 1.00 62.41 H new ATOM 0 HA TYR A 130 17.510 -3.891 -4.421 1.00 72.32 H new ATOM 0 HB2 TYR A 130 18.175 -3.272 -6.929 1.00 13.44 H new ATOM 0 HB3 TYR A 130 16.819 -2.620 -6.032 1.00 13.44 H new ATOM 0 HD1 TYR A 130 17.111 -0.593 -4.707 1.00 13.33 H new ATOM 0 HD2 TYR A 130 19.909 -1.726 -7.776 1.00 62.25 H new ATOM 0 HE1 TYR A 130 17.888 1.769 -4.845 1.00 41.13 H new ATOM 0 HE2 TYR A 130 20.747 0.617 -7.872 1.00 10.41 H new ATOM 0 HH TYR A 130 20.569 2.675 -7.084 1.00 53.04 H new ATOM 1900 N HIS A 131 19.167 -5.726 -5.093 1.00 65.35 N ATOM 1901 CA HIS A 131 20.015 -6.764 -5.680 1.00 63.13 C ATOM 1902 C HIS A 131 19.219 -8.043 -5.933 1.00 42.13 C ATOM 1903 O HIS A 131 18.115 -8.218 -5.408 1.00 31.50 O ATOM 1904 CB HIS A 131 21.220 -7.088 -4.775 1.00 10.44 C ATOM 1905 CG HIS A 131 20.868 -7.520 -3.372 1.00 33.14 C ATOM 1906 ND1 HIS A 131 20.704 -8.818 -2.932 1.00 11.10 N ATOM 1907 CD2 HIS A 131 20.732 -6.695 -2.292 1.00 11.54 C ATOM 1908 CE1 HIS A 131 20.466 -8.780 -1.611 1.00 1.22 C ATOM 1909 NE2 HIS A 131 20.494 -7.504 -1.177 1.00 50.15 N ATOM 0 H HIS A 131 18.312 -6.090 -4.672 1.00 65.35 H new ATOM 0 HA HIS A 131 20.383 -6.374 -6.629 1.00 63.13 H new ATOM 0 HB2 HIS A 131 21.806 -7.877 -5.245 1.00 10.44 H new ATOM 0 HB3 HIS A 131 21.859 -6.207 -4.718 1.00 10.44 H new ATOM 0 HD1 HIS A 131 20.755 -9.658 -3.509 1.00 11.10 H new ATOM 0 HD2 HIS A 131 20.796 -5.617 -2.298 1.00 11.54 H new ATOM 0 HE1 HIS A 131 20.280 -9.643 -0.989 1.00 1.22 H new ATOM 1916 N THR A 132 19.825 -8.970 -6.668 1.00 30.50 N ATOM 1917 CA THR A 132 19.555 -10.397 -6.597 1.00 41.22 C ATOM 1918 C THR A 132 20.816 -10.999 -6.000 1.00 45.24 C ATOM 1919 O THR A 132 21.013 -10.872 -4.772 1.00 64.04 O ATOM 1920 CB THR A 132 19.165 -10.953 -7.974 1.00 54.22 C ATOM 1921 OG1 THR A 132 20.204 -10.681 -8.890 1.00 42.21 O ATOM 1922 CG2 THR A 132 17.850 -10.362 -8.492 1.00 11.02 C ATOM 0 H THR A 132 20.543 -8.737 -7.354 1.00 30.50 H new ATOM 0 HA THR A 132 18.697 -10.648 -5.974 1.00 41.22 H new ATOM 0 HB THR A 132 19.015 -12.028 -7.871 1.00 54.22 H new ATOM 0 HG1 THR A 132 19.964 -11.034 -9.772 1.00 42.21 H new ATOM 0 HG21 THR A 132 17.619 -10.788 -9.469 1.00 11.02 H new ATOM 0 HG22 THR A 132 17.046 -10.597 -7.795 1.00 11.02 H new ATOM 0 HG23 THR A 132 17.948 -9.280 -8.582 1.00 11.02 H new TER 1930 THR A 132