USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 927 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 TYR OH : rot 48:sc= 0.4 USER MOD Set 1.2: A 97 THR OG1 : rot 77:sc= 1.44 USER MOD Set 2.1: A 18 MET CE :methyl -163:sc= -0.104 (180deg=-0.547) USER MOD Set 2.2: A 60 SER OG : rot -140:sc= 0 USER MOD Set 3.1: A 47 HIS : no HD1:sc= 0.507 K(o=1.3,f=-2.4) USER MOD Set 3.2: A 48 GLN :FLIP amide:sc= 0.837 F(o=0.25,f=1.3) USER MOD Set 4.1: A 10 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.075) USER MOD Set 4.2: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 8 HIS : no HD1:sc= 0.669 K(o=1.7,f=-4.9!) USER MOD Set 5.2: A 9 SER OG : rot 37:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0538 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0152 (180deg=-0.113) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 5 HIS : no HE2:sc= 0.26 K(o=0.26,f=-0.93) USER MOD Single : A 6 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.0025) USER MOD Single : A 7 HIS : no HE2:sc= -0.418 K(o=-0.42,f=-2.3) USER MOD Single : A 11 MET CE :methyl -164:sc= -0.127 (180deg=-0.463) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0572 K(o=-0.057,f=-2.1!) USER MOD Single : A 21 LYS NZ :NH3+ 131:sc= 1.27 (180deg=0.558) USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.163 USER MOD Single : A 29 TYR OH : rot -81:sc= -0.0333 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0375 K(o=-0.011,f=-2.8!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 67:sc= 0.964 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0.904 (180deg=0.668) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 31:sc= 0.315 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0.36 (180deg=0.338) USER MOD Single : A 82 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.11) USER MOD Single : A 88 SER OG : rot -11:sc= 1.03 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 85:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.780 13.826 -11.826 1.00 65.32 N ATOM 2 CA MET A 1 17.489 14.285 -12.376 1.00 22.42 C ATOM 3 C MET A 1 16.697 15.104 -11.339 1.00 71.34 C ATOM 4 O MET A 1 16.006 16.063 -11.703 1.00 25.01 O ATOM 5 CB MET A 1 16.642 13.074 -12.869 1.00 61.02 C ATOM 6 CG MET A 1 16.250 12.042 -11.788 1.00 2.03 C ATOM 7 SD MET A 1 15.131 10.760 -12.405 1.00 52.13 S ATOM 8 CE MET A 1 16.108 9.995 -13.701 1.00 2.12 C ATOM 0 H1 MET A 1 19.347 13.396 -12.584 1.00 65.32 H new ATOM 0 H2 MET A 1 19.294 14.636 -11.425 1.00 65.32 H new ATOM 0 H3 MET A 1 18.609 13.122 -11.080 1.00 65.32 H new ATOM 0 HA MET A 1 17.703 14.934 -13.226 1.00 22.42 H new ATOM 0 HB2 MET A 1 15.730 13.456 -13.328 1.00 61.02 H new ATOM 0 HB3 MET A 1 17.200 12.559 -13.651 1.00 61.02 H new ATOM 0 HG2 MET A 1 17.153 11.571 -11.399 1.00 2.03 H new ATOM 0 HG3 MET A 1 15.776 12.560 -10.954 1.00 2.03 H new ATOM 0 HE1 MET A 1 15.632 9.066 -14.015 1.00 2.12 H new ATOM 0 HE2 MET A 1 16.178 10.673 -14.552 1.00 2.12 H new ATOM 0 HE3 MET A 1 17.108 9.781 -13.324 1.00 2.12 H new ATOM 20 N GLY A 2 16.803 14.706 -10.047 1.00 14.11 N ATOM 21 CA GLY A 2 16.028 15.320 -8.972 1.00 61.12 C ATOM 22 C GLY A 2 16.534 16.702 -8.601 1.00 73.45 C ATOM 23 O GLY A 2 17.628 16.833 -8.039 1.00 51.02 O ATOM 0 H GLY A 2 17.424 13.959 -9.737 1.00 14.11 H new ATOM 0 HA2 GLY A 2 14.984 15.390 -9.276 1.00 61.12 H new ATOM 0 HA3 GLY A 2 16.061 14.677 -8.092 1.00 61.12 H new ATOM 27 N HIS A 3 15.746 17.736 -8.941 1.00 13.01 N ATOM 28 CA HIS A 3 16.064 19.133 -8.605 1.00 64.44 C ATOM 29 C HIS A 3 15.704 19.394 -7.125 1.00 64.35 C ATOM 30 O HIS A 3 14.872 18.674 -6.555 1.00 11.35 O ATOM 31 CB HIS A 3 15.311 20.091 -9.559 1.00 21.52 C ATOM 32 CG HIS A 3 15.518 19.759 -11.021 1.00 75.23 C ATOM 33 ND1 HIS A 3 14.523 19.238 -11.824 1.00 31.12 N ATOM 34 CD2 HIS A 3 16.618 19.848 -11.814 1.00 23.14 C ATOM 35 CE1 HIS A 3 14.999 19.024 -13.035 1.00 61.34 C ATOM 36 NE2 HIS A 3 16.264 19.383 -13.055 1.00 23.25 N ATOM 0 H HIS A 3 14.872 17.627 -9.456 1.00 13.01 H new ATOM 0 HA HIS A 3 17.131 19.317 -8.734 1.00 64.44 H new ATOM 0 HB2 HIS A 3 14.245 20.056 -9.332 1.00 21.52 H new ATOM 0 HB3 HIS A 3 15.643 21.113 -9.374 1.00 21.52 H new ATOM 0 HD2 HIS A 3 17.590 20.216 -11.522 1.00 23.14 H new ATOM 0 HE1 HIS A 3 14.444 18.622 -13.869 1.00 61.34 H new ATOM 0 HE2 HIS A 3 16.883 19.325 -13.864 1.00 23.25 H new ATOM 45 N HIS A 4 16.306 20.447 -6.540 1.00 72.14 N ATOM 46 CA HIS A 4 16.405 20.619 -5.069 1.00 4.32 C ATOM 47 C HIS A 4 15.021 20.815 -4.404 1.00 71.31 C ATOM 48 O HIS A 4 14.469 21.919 -4.401 1.00 12.42 O ATOM 49 CB HIS A 4 17.362 21.805 -4.711 1.00 71.12 C ATOM 50 CG HIS A 4 17.957 21.746 -3.320 1.00 43.31 C ATOM 51 ND1 HIS A 4 19.317 21.752 -3.092 1.00 42.42 N ATOM 52 CD2 HIS A 4 17.380 21.686 -2.091 1.00 63.32 C ATOM 53 CE1 HIS A 4 19.550 21.696 -1.800 1.00 55.11 C ATOM 54 NE2 HIS A 4 18.394 21.653 -1.172 1.00 72.40 N ATOM 0 H HIS A 4 16.739 21.204 -7.069 1.00 72.14 H new ATOM 0 HA HIS A 4 16.825 19.696 -4.669 1.00 4.32 H new ATOM 0 HB2 HIS A 4 18.174 21.829 -5.437 1.00 71.12 H new ATOM 0 HB3 HIS A 4 16.813 22.741 -4.816 1.00 71.12 H new ATOM 0 HD2 HIS A 4 16.321 21.668 -1.879 1.00 63.32 H new ATOM 0 HE1 HIS A 4 20.524 21.687 -1.333 1.00 55.11 H new ATOM 0 HE2 HIS A 4 18.273 21.603 -0.160 1.00 72.40 H new ATOM 63 N HIS A 5 14.468 19.716 -3.866 1.00 41.05 N ATOM 64 CA HIS A 5 13.280 19.746 -2.991 1.00 61.33 C ATOM 65 C HIS A 5 13.734 19.827 -1.519 1.00 52.13 C ATOM 66 O HIS A 5 14.849 19.408 -1.179 1.00 11.23 O ATOM 67 CB HIS A 5 12.381 18.497 -3.231 1.00 72.53 C ATOM 68 CG HIS A 5 11.511 18.593 -4.467 1.00 42.14 C ATOM 69 ND1 HIS A 5 11.965 18.350 -5.746 1.00 34.44 N ATOM 70 CD2 HIS A 5 10.200 18.921 -4.601 1.00 21.45 C ATOM 71 CE1 HIS A 5 10.976 18.522 -6.602 1.00 54.14 C ATOM 72 NE2 HIS A 5 9.896 18.869 -5.935 1.00 11.15 N ATOM 0 H HIS A 5 14.832 18.777 -4.025 1.00 41.05 H new ATOM 0 HA HIS A 5 12.683 20.626 -3.228 1.00 61.33 H new ATOM 0 HB2 HIS A 5 13.016 17.615 -3.314 1.00 72.53 H new ATOM 0 HB3 HIS A 5 11.742 18.349 -2.360 1.00 72.53 H new ATOM 0 HD1 HIS A 5 12.917 18.079 -5.992 1.00 34.44 H new ATOM 0 HD2 HIS A 5 9.521 19.176 -3.801 1.00 21.45 H new ATOM 0 HE1 HIS A 5 11.042 18.398 -7.673 1.00 54.14 H new ATOM 81 N HIS A 6 12.860 20.371 -0.658 1.00 20.42 N ATOM 82 CA HIS A 6 13.163 20.599 0.769 1.00 44.41 C ATOM 83 C HIS A 6 11.888 20.463 1.613 1.00 23.40 C ATOM 84 O HIS A 6 10.821 20.936 1.196 1.00 23.22 O ATOM 85 CB HIS A 6 13.776 22.022 0.957 1.00 61.04 C ATOM 86 CG HIS A 6 14.137 22.391 2.386 1.00 22.53 C ATOM 87 ND1 HIS A 6 15.420 22.319 2.880 1.00 72.34 N ATOM 88 CD2 HIS A 6 13.375 22.848 3.416 1.00 74.31 C ATOM 89 CE1 HIS A 6 15.433 22.709 4.140 1.00 12.33 C ATOM 90 NE2 HIS A 6 14.206 23.035 4.488 1.00 55.45 N ATOM 0 H HIS A 6 11.922 20.666 -0.929 1.00 20.42 H new ATOM 0 HA HIS A 6 13.883 19.851 1.101 1.00 44.41 H new ATOM 0 HB2 HIS A 6 14.673 22.097 0.342 1.00 61.04 H new ATOM 0 HB3 HIS A 6 13.067 22.758 0.577 1.00 61.04 H new ATOM 0 HD2 HIS A 6 12.311 23.030 3.393 1.00 74.31 H new ATOM 0 HE1 HIS A 6 16.303 22.753 4.778 1.00 12.33 H new ATOM 0 HE2 HIS A 6 13.921 23.372 5.407 1.00 55.45 H new ATOM 99 N HIS A 7 12.018 19.804 2.789 1.00 43.13 N ATOM 100 CA HIS A 7 11.001 19.848 3.851 1.00 43.21 C ATOM 101 C HIS A 7 11.508 19.177 5.142 1.00 64.23 C ATOM 102 O HIS A 7 12.335 18.257 5.103 1.00 14.33 O ATOM 103 CB HIS A 7 9.642 19.187 3.424 1.00 1.24 C ATOM 104 CG HIS A 7 9.614 17.676 3.449 1.00 2.42 C ATOM 105 ND1 HIS A 7 9.473 16.958 4.619 1.00 4.14 N ATOM 106 CD2 HIS A 7 9.691 16.754 2.457 1.00 32.03 C ATOM 107 CE1 HIS A 7 9.473 15.682 4.349 1.00 11.11 C ATOM 108 NE2 HIS A 7 9.603 15.520 3.047 1.00 42.21 N ATOM 0 H HIS A 7 12.829 19.231 3.021 1.00 43.13 H new ATOM 0 HA HIS A 7 10.816 20.906 4.037 1.00 43.21 H new ATOM 0 HB2 HIS A 7 8.856 19.558 4.082 1.00 1.24 H new ATOM 0 HB3 HIS A 7 9.398 19.520 2.415 1.00 1.24 H new ATOM 0 HD1 HIS A 7 9.383 17.363 5.551 1.00 4.14 H new ATOM 0 HD2 HIS A 7 9.801 16.954 1.401 1.00 32.03 H new ATOM 0 HE1 HIS A 7 9.381 14.887 5.074 1.00 11.11 H new ATOM 117 N HIS A 8 10.987 19.658 6.280 1.00 12.32 N ATOM 118 CA HIS A 8 10.885 18.879 7.520 1.00 55.41 C ATOM 119 C HIS A 8 9.471 19.133 8.055 1.00 60.51 C ATOM 120 O HIS A 8 8.565 18.323 7.828 1.00 5.25 O ATOM 121 CB HIS A 8 11.983 19.236 8.573 1.00 75.21 C ATOM 122 CG HIS A 8 11.838 18.492 9.897 1.00 75.10 C ATOM 123 ND1 HIS A 8 10.814 18.736 10.793 1.00 54.03 N ATOM 124 CD2 HIS A 8 12.584 17.511 10.470 1.00 63.05 C ATOM 125 CE1 HIS A 8 10.938 17.952 11.841 1.00 42.30 C ATOM 126 NE2 HIS A 8 12.001 17.201 11.676 1.00 23.43 N ATOM 0 H HIS A 8 10.622 20.607 6.365 1.00 12.32 H new ATOM 0 HA HIS A 8 11.057 17.822 7.316 1.00 55.41 H new ATOM 0 HB2 HIS A 8 12.963 19.016 8.150 1.00 75.21 H new ATOM 0 HB3 HIS A 8 11.952 20.308 8.765 1.00 75.21 H new ATOM 0 HD2 HIS A 8 13.472 17.058 10.054 1.00 63.05 H new ATOM 0 HE1 HIS A 8 10.276 17.930 12.694 1.00 42.30 H new ATOM 0 HE2 HIS A 8 12.340 16.501 12.336 1.00 23.43 H new ATOM 135 N SER A 9 9.275 20.312 8.681 1.00 70.34 N ATOM 136 CA SER A 9 7.970 20.739 9.206 1.00 4.15 C ATOM 137 C SER A 9 7.227 21.570 8.144 1.00 51.45 C ATOM 138 O SER A 9 7.200 22.806 8.183 1.00 43.14 O ATOM 139 CB SER A 9 8.152 21.517 10.536 1.00 42.01 C ATOM 140 OG SER A 9 8.778 20.703 11.524 1.00 64.22 O ATOM 0 H SER A 9 10.020 20.992 8.835 1.00 70.34 H new ATOM 0 HA SER A 9 7.360 19.863 9.427 1.00 4.15 H new ATOM 0 HB2 SER A 9 8.754 22.409 10.360 1.00 42.01 H new ATOM 0 HB3 SER A 9 7.181 21.854 10.900 1.00 42.01 H new ATOM 0 HG SER A 9 9.450 20.130 11.098 1.00 64.22 H new ATOM 146 N HIS A 10 6.715 20.853 7.133 1.00 2.31 N ATOM 147 CA HIS A 10 5.767 21.396 6.146 1.00 35.03 C ATOM 148 C HIS A 10 4.375 20.833 6.452 1.00 31.44 C ATOM 149 O HIS A 10 4.268 19.829 7.160 1.00 42.02 O ATOM 150 CB HIS A 10 6.190 21.036 4.688 1.00 70.11 C ATOM 151 CG HIS A 10 6.051 19.575 4.290 1.00 24.20 C ATOM 152 ND1 HIS A 10 5.608 19.168 3.044 1.00 12.42 N ATOM 153 CD2 HIS A 10 6.347 18.432 4.962 1.00 15.54 C ATOM 154 CE1 HIS A 10 5.642 17.849 2.974 1.00 51.42 C ATOM 155 NE2 HIS A 10 6.086 17.382 4.123 1.00 61.15 N ATOM 0 H HIS A 10 6.948 19.873 6.975 1.00 2.31 H new ATOM 0 HA HIS A 10 5.760 22.484 6.218 1.00 35.03 H new ATOM 0 HB2 HIS A 10 5.595 21.637 4.000 1.00 70.11 H new ATOM 0 HB3 HIS A 10 7.230 21.331 4.550 1.00 70.11 H new ATOM 0 HD2 HIS A 10 6.720 18.364 5.973 1.00 15.54 H new ATOM 0 HE1 HIS A 10 5.354 17.254 2.119 1.00 51.42 H new ATOM 0 HE2 HIS A 10 6.215 16.396 4.351 1.00 61.15 H new ATOM 164 N MET A 11 3.335 21.493 5.936 1.00 52.43 N ATOM 165 CA MET A 11 1.956 20.981 5.956 1.00 43.41 C ATOM 166 C MET A 11 1.094 21.878 5.053 1.00 21.50 C ATOM 167 O MET A 11 0.530 22.876 5.525 1.00 72.02 O ATOM 168 CB MET A 11 1.367 20.905 7.410 1.00 4.34 C ATOM 169 CG MET A 11 0.021 20.161 7.526 1.00 63.41 C ATOM 170 SD MET A 11 -0.609 20.088 9.227 1.00 54.20 S ATOM 171 CE MET A 11 0.707 19.211 10.083 1.00 32.41 C ATOM 0 H MET A 11 3.424 22.405 5.488 1.00 52.43 H new ATOM 0 HA MET A 11 1.954 19.958 5.580 1.00 43.41 H new ATOM 0 HB2 MET A 11 2.094 20.413 8.056 1.00 4.34 H new ATOM 0 HB3 MET A 11 1.239 21.919 7.788 1.00 4.34 H new ATOM 0 HG2 MET A 11 -0.716 20.655 6.893 1.00 63.41 H new ATOM 0 HG3 MET A 11 0.140 19.147 7.145 1.00 63.41 H new ATOM 0 HE1 MET A 11 0.339 18.851 11.044 1.00 32.41 H new ATOM 0 HE2 MET A 11 1.033 18.365 9.479 1.00 32.41 H new ATOM 0 HE3 MET A 11 1.547 19.886 10.246 1.00 32.41 H new ATOM 181 N PRO A 12 1.060 21.602 3.706 1.00 32.13 N ATOM 182 CA PRO A 12 0.085 22.243 2.800 1.00 0.32 C ATOM 183 C PRO A 12 -1.337 21.800 3.210 1.00 74.42 C ATOM 184 O PRO A 12 -2.132 22.618 3.672 1.00 73.25 O ATOM 185 CB PRO A 12 0.513 21.754 1.384 1.00 11.23 C ATOM 186 CG PRO A 12 1.914 21.236 1.559 1.00 40.53 C ATOM 187 CD PRO A 12 1.965 20.684 2.965 1.00 21.25 C ATOM 0 HA PRO A 12 0.070 23.332 2.832 1.00 0.32 H new ATOM 0 HB2 PRO A 12 -0.154 20.973 1.018 1.00 11.23 H new ATOM 0 HB3 PRO A 12 0.480 22.567 0.659 1.00 11.23 H new ATOM 0 HG2 PRO A 12 2.142 20.463 0.825 1.00 40.53 H new ATOM 0 HG3 PRO A 12 2.647 22.031 1.422 1.00 40.53 H new ATOM 0 HD2 PRO A 12 1.619 19.651 3.008 1.00 21.25 H new ATOM 0 HD3 PRO A 12 2.977 20.698 3.370 1.00 21.25 H new ATOM 195 N LYS A 13 -1.604 20.479 3.078 1.00 62.12 N ATOM 196 CA LYS A 13 -2.738 19.776 3.728 1.00 45.33 C ATOM 197 C LYS A 13 -2.337 18.302 3.967 1.00 22.10 C ATOM 198 O LYS A 13 -2.183 17.855 5.110 1.00 42.34 O ATOM 199 CB LYS A 13 -4.067 19.838 2.892 1.00 23.13 C ATOM 200 CG LYS A 13 -4.765 21.218 2.861 1.00 52.33 C ATOM 201 CD LYS A 13 -6.175 21.166 2.235 1.00 73.43 C ATOM 202 CE LYS A 13 -6.173 20.644 0.789 1.00 3.25 C ATOM 203 NZ LYS A 13 -7.543 20.586 0.217 1.00 73.25 N ATOM 0 H LYS A 13 -1.028 19.860 2.507 1.00 62.12 H new ATOM 0 HA LYS A 13 -2.943 20.285 4.670 1.00 45.33 H new ATOM 0 HB2 LYS A 13 -3.847 19.538 1.868 1.00 23.13 H new ATOM 0 HB3 LYS A 13 -4.765 19.105 3.296 1.00 23.13 H new ATOM 0 HG2 LYS A 13 -4.839 21.605 3.877 1.00 52.33 H new ATOM 0 HG3 LYS A 13 -4.149 21.918 2.297 1.00 52.33 H new ATOM 0 HD2 LYS A 13 -6.814 20.527 2.845 1.00 73.43 H new ATOM 0 HD3 LYS A 13 -6.612 22.164 2.254 1.00 73.43 H new ATOM 0 HE2 LYS A 13 -5.549 21.290 0.171 1.00 3.25 H new ATOM 0 HE3 LYS A 13 -5.727 19.650 0.763 1.00 3.25 H new ATOM 0 HZ1 LYS A 13 -7.497 20.229 -0.759 1.00 73.25 H new ATOM 0 HZ2 LYS A 13 -8.132 19.950 0.791 1.00 73.25 H new ATOM 0 HZ3 LYS A 13 -7.960 21.539 0.218 1.00 73.25 H new ATOM 217 N ALA A 14 -2.102 17.581 2.856 1.00 24.44 N ATOM 218 CA ALA A 14 -1.982 16.104 2.844 1.00 45.14 C ATOM 219 C ALA A 14 -0.539 15.611 3.067 1.00 53.41 C ATOM 220 O ALA A 14 -0.274 14.939 4.069 1.00 3.45 O ATOM 221 CB ALA A 14 -2.539 15.560 1.513 1.00 32.40 C ATOM 0 H ALA A 14 -1.989 18.004 1.935 1.00 24.44 H new ATOM 0 HA ALA A 14 -2.565 15.722 3.682 1.00 45.14 H new ATOM 0 HB1 ALA A 14 -2.453 14.473 1.499 1.00 32.40 H new ATOM 0 HB2 ALA A 14 -3.587 15.842 1.415 1.00 32.40 H new ATOM 0 HB3 ALA A 14 -1.971 15.979 0.682 1.00 32.40 H new ATOM 227 N THR A 15 0.374 15.998 2.147 1.00 24.11 N ATOM 228 CA THR A 15 1.699 15.342 1.938 1.00 54.00 C ATOM 229 C THR A 15 2.486 15.039 3.238 1.00 33.25 C ATOM 230 O THR A 15 3.084 13.966 3.363 1.00 24.11 O ATOM 231 CB THR A 15 2.600 16.184 0.962 1.00 41.32 C ATOM 232 OG1 THR A 15 2.733 17.544 1.438 1.00 55.40 O ATOM 233 CG2 THR A 15 2.037 16.192 -0.475 1.00 11.13 C ATOM 0 H THR A 15 0.215 16.785 1.517 1.00 24.11 H new ATOM 0 HA THR A 15 1.459 14.376 1.494 1.00 54.00 H new ATOM 0 HB THR A 15 3.581 15.709 0.941 1.00 41.32 H new ATOM 0 HG1 THR A 15 3.298 18.053 0.820 1.00 55.40 H new ATOM 0 HG21 THR A 15 2.688 16.784 -1.118 1.00 11.13 H new ATOM 0 HG22 THR A 15 1.987 15.170 -0.852 1.00 11.13 H new ATOM 0 HG23 THR A 15 1.038 16.627 -0.472 1.00 11.13 H new ATOM 241 N ALA A 16 2.427 15.966 4.201 1.00 61.25 N ATOM 242 CA ALA A 16 3.202 15.884 5.457 1.00 73.30 C ATOM 243 C ALA A 16 2.754 14.705 6.349 1.00 44.42 C ATOM 244 O ALA A 16 3.515 13.737 6.573 1.00 22.44 O ATOM 245 CB ALA A 16 3.071 17.207 6.218 1.00 61.23 C ATOM 0 H ALA A 16 1.841 16.798 4.137 1.00 61.25 H new ATOM 0 HA ALA A 16 4.245 15.703 5.197 1.00 73.30 H new ATOM 0 HB1 ALA A 16 3.641 17.151 7.145 1.00 61.23 H new ATOM 0 HB2 ALA A 16 3.457 18.020 5.603 1.00 61.23 H new ATOM 0 HB3 ALA A 16 2.022 17.392 6.448 1.00 61.23 H new ATOM 251 N GLN A 17 1.492 14.774 6.805 1.00 31.04 N ATOM 252 CA GLN A 17 0.921 13.780 7.726 1.00 2.14 C ATOM 253 C GLN A 17 0.782 12.427 7.024 1.00 21.21 C ATOM 254 O GLN A 17 1.047 11.385 7.621 1.00 53.12 O ATOM 255 CB GLN A 17 -0.442 14.285 8.281 1.00 24.31 C ATOM 256 CG GLN A 17 -1.149 13.345 9.285 1.00 14.21 C ATOM 257 CD GLN A 17 -0.264 12.930 10.471 1.00 41.25 C ATOM 258 OE1 GLN A 17 0.383 11.882 10.448 1.00 15.42 O ATOM 259 NE2 GLN A 17 -0.200 13.769 11.494 1.00 43.51 N ATOM 0 H GLN A 17 0.843 15.517 6.546 1.00 31.04 H new ATOM 0 HA GLN A 17 1.594 13.644 8.573 1.00 2.14 H new ATOM 0 HB2 GLN A 17 -0.281 15.248 8.765 1.00 24.31 H new ATOM 0 HB3 GLN A 17 -1.113 14.459 7.440 1.00 24.31 H new ATOM 0 HG2 GLN A 17 -2.042 13.840 9.665 1.00 14.21 H new ATOM 0 HG3 GLN A 17 -1.480 12.449 8.759 1.00 14.21 H new ATOM 0 HE21 GLN A 17 -0.748 14.629 11.483 1.00 43.51 H new ATOM 0 HE22 GLN A 17 0.397 13.555 12.293 1.00 43.51 H new ATOM 268 N MET A 18 0.413 12.476 5.733 1.00 22.35 N ATOM 269 CA MET A 18 0.316 11.285 4.869 1.00 64.43 C ATOM 270 C MET A 18 1.680 10.548 4.836 1.00 65.23 C ATOM 271 O MET A 18 1.732 9.317 4.987 1.00 11.22 O ATOM 272 CB MET A 18 -0.143 11.710 3.445 1.00 71.13 C ATOM 273 CG MET A 18 -0.559 10.557 2.507 1.00 23.31 C ATOM 274 SD MET A 18 0.804 9.483 1.991 1.00 62.42 S ATOM 275 CE MET A 18 1.866 10.630 1.119 1.00 72.50 C ATOM 0 H MET A 18 0.173 13.345 5.257 1.00 22.35 H new ATOM 0 HA MET A 18 -0.426 10.594 5.269 1.00 64.43 H new ATOM 0 HB2 MET A 18 -0.984 12.396 3.544 1.00 71.13 H new ATOM 0 HB3 MET A 18 0.667 12.265 2.972 1.00 71.13 H new ATOM 0 HG2 MET A 18 -1.313 9.951 3.009 1.00 23.31 H new ATOM 0 HG3 MET A 18 -1.029 10.979 1.619 1.00 23.31 H new ATOM 0 HE1 MET A 18 2.571 10.075 0.500 1.00 72.50 H new ATOM 0 HE2 MET A 18 1.260 11.278 0.486 1.00 72.50 H new ATOM 0 HE3 MET A 18 2.415 11.236 1.839 1.00 72.50 H new ATOM 285 N GLU A 19 2.781 11.335 4.675 1.00 2.30 N ATOM 286 CA GLU A 19 4.166 10.811 4.715 1.00 34.11 C ATOM 287 C GLU A 19 4.449 10.104 6.047 1.00 54.33 C ATOM 288 O GLU A 19 4.958 8.979 6.056 1.00 51.23 O ATOM 289 CB GLU A 19 5.217 11.945 4.502 1.00 31.22 C ATOM 290 CG GLU A 19 6.671 11.444 4.490 1.00 14.31 C ATOM 291 CD GLU A 19 7.731 12.535 4.317 1.00 23.42 C ATOM 292 OE1 GLU A 19 7.878 13.067 3.200 1.00 22.42 O ATOM 293 OE2 GLU A 19 8.453 12.841 5.291 1.00 13.51 O ATOM 0 H GLU A 19 2.729 12.341 4.515 1.00 2.30 H new ATOM 0 HA GLU A 19 4.255 10.094 3.899 1.00 34.11 H new ATOM 0 HB2 GLU A 19 5.008 12.450 3.559 1.00 31.22 H new ATOM 0 HB3 GLU A 19 5.104 12.687 5.293 1.00 31.22 H new ATOM 0 HG2 GLU A 19 6.865 10.915 5.423 1.00 14.31 H new ATOM 0 HG3 GLU A 19 6.783 10.719 3.684 1.00 14.31 H new ATOM 300 N GLU A 20 4.111 10.778 7.162 1.00 5.24 N ATOM 301 CA GLU A 20 4.370 10.249 8.528 1.00 23.44 C ATOM 302 C GLU A 20 3.659 8.890 8.772 1.00 62.41 C ATOM 303 O GLU A 20 4.253 7.935 9.332 1.00 43.51 O ATOM 304 CB GLU A 20 3.936 11.289 9.591 1.00 52.14 C ATOM 305 CG GLU A 20 4.648 12.652 9.468 1.00 4.51 C ATOM 306 CD GLU A 20 4.249 13.654 10.566 1.00 43.23 C ATOM 307 OE1 GLU A 20 3.059 14.032 10.634 1.00 44.32 O ATOM 308 OE2 GLU A 20 5.121 14.056 11.376 1.00 75.54 O ATOM 0 H GLU A 20 3.657 11.691 7.151 1.00 5.24 H new ATOM 0 HA GLU A 20 5.442 10.071 8.616 1.00 23.44 H new ATOM 0 HB2 GLU A 20 2.860 11.445 9.513 1.00 52.14 H new ATOM 0 HB3 GLU A 20 4.127 10.880 10.583 1.00 52.14 H new ATOM 0 HG2 GLU A 20 5.726 12.495 9.505 1.00 4.51 H new ATOM 0 HG3 GLU A 20 4.422 13.084 8.493 1.00 4.51 H new ATOM 315 N LYS A 21 2.394 8.816 8.329 1.00 31.00 N ATOM 316 CA LYS A 21 1.568 7.595 8.413 1.00 3.41 C ATOM 317 C LYS A 21 2.216 6.462 7.593 1.00 65.22 C ATOM 318 O LYS A 21 2.374 5.338 8.083 1.00 23.22 O ATOM 319 CB LYS A 21 0.129 7.915 7.910 1.00 34.41 C ATOM 320 CG LYS A 21 -0.606 8.993 8.749 1.00 12.34 C ATOM 321 CD LYS A 21 -1.857 9.592 8.051 1.00 43.34 C ATOM 322 CE LYS A 21 -3.043 8.621 7.972 1.00 62.24 C ATOM 323 NZ LYS A 21 -4.214 9.223 7.268 1.00 54.43 N ATOM 0 H LYS A 21 1.910 9.605 7.900 1.00 31.00 H new ATOM 0 HA LYS A 21 1.505 7.258 9.448 1.00 3.41 H new ATOM 0 HB2 LYS A 21 0.183 8.250 6.874 1.00 34.41 H new ATOM 0 HB3 LYS A 21 -0.460 6.998 7.918 1.00 34.41 H new ATOM 0 HG2 LYS A 21 -0.908 8.555 9.700 1.00 12.34 H new ATOM 0 HG3 LYS A 21 0.091 9.799 8.977 1.00 12.34 H new ATOM 0 HD2 LYS A 21 -2.168 10.488 8.588 1.00 43.34 H new ATOM 0 HD3 LYS A 21 -1.585 9.903 7.042 1.00 43.34 H new ATOM 0 HE2 LYS A 21 -2.735 7.714 7.452 1.00 62.24 H new ATOM 0 HE3 LYS A 21 -3.338 8.326 8.979 1.00 62.24 H new ATOM 0 HZ1 LYS A 21 -4.564 8.560 6.547 1.00 54.43 H new ATOM 0 HZ2 LYS A 21 -4.970 9.417 7.955 1.00 54.43 H new ATOM 0 HZ3 LYS A 21 -3.925 10.111 6.811 1.00 54.43 H new ATOM 337 N LEU A 22 2.641 6.810 6.364 1.00 24.04 N ATOM 338 CA LEU A 22 3.317 5.878 5.434 1.00 41.40 C ATOM 339 C LEU A 22 4.639 5.364 6.049 1.00 74.54 C ATOM 340 O LEU A 22 5.002 4.190 5.873 1.00 12.24 O ATOM 341 CB LEU A 22 3.538 6.590 4.057 1.00 24.03 C ATOM 342 CG LEU A 22 3.523 5.681 2.779 1.00 0.42 C ATOM 343 CD1 LEU A 22 3.321 6.531 1.505 1.00 12.14 C ATOM 344 CD2 LEU A 22 4.796 4.802 2.665 1.00 3.43 C ATOM 0 H LEU A 22 2.526 7.749 5.984 1.00 24.04 H new ATOM 0 HA LEU A 22 2.689 5.003 5.263 1.00 41.40 H new ATOM 0 HB2 LEU A 22 2.767 7.352 3.941 1.00 24.03 H new ATOM 0 HB3 LEU A 22 4.496 7.109 4.093 1.00 24.03 H new ATOM 0 HG LEU A 22 2.678 5.000 2.880 1.00 0.42 H new ATOM 0 HD11 LEU A 22 3.314 5.880 0.631 1.00 12.14 H new ATOM 0 HD12 LEU A 22 2.372 7.063 1.569 1.00 12.14 H new ATOM 0 HD13 LEU A 22 4.135 7.251 1.415 1.00 12.14 H new ATOM 0 HD21 LEU A 22 4.737 4.191 1.764 1.00 3.43 H new ATOM 0 HD22 LEU A 22 5.677 5.442 2.613 1.00 3.43 H new ATOM 0 HD23 LEU A 22 4.870 4.154 3.538 1.00 3.43 H new ATOM 356 N ARG A 23 5.318 6.244 6.802 1.00 44.41 N ATOM 357 CA ARG A 23 6.582 5.914 7.479 1.00 71.21 C ATOM 358 C ARG A 23 6.361 4.847 8.541 1.00 41.14 C ATOM 359 O ARG A 23 6.902 3.762 8.410 1.00 0.11 O ATOM 360 CB ARG A 23 7.250 7.172 8.088 1.00 24.03 C ATOM 361 CG ARG A 23 7.874 8.093 7.033 1.00 73.11 C ATOM 362 CD ARG A 23 8.564 9.332 7.622 1.00 42.22 C ATOM 363 NE ARG A 23 9.167 10.114 6.537 1.00 74.24 N ATOM 364 CZ ARG A 23 10.459 10.127 6.200 1.00 31.14 C ATOM 365 NH1 ARG A 23 11.366 9.433 6.880 1.00 43.01 N ATOM 366 NH2 ARG A 23 10.819 10.787 5.120 1.00 51.51 N ATOM 0 H ARG A 23 5.007 7.203 6.958 1.00 44.41 H new ATOM 0 HA ARG A 23 7.264 5.515 6.728 1.00 71.21 H new ATOM 0 HB2 ARG A 23 6.507 7.732 8.656 1.00 24.03 H new ATOM 0 HB3 ARG A 23 8.022 6.861 8.792 1.00 24.03 H new ATOM 0 HG2 ARG A 23 8.601 7.525 6.453 1.00 73.11 H new ATOM 0 HG3 ARG A 23 7.097 8.416 6.341 1.00 73.11 H new ATOM 0 HD2 ARG A 23 7.842 9.940 8.166 1.00 42.22 H new ATOM 0 HD3 ARG A 23 9.329 9.031 8.337 1.00 42.22 H new ATOM 0 HE ARG A 23 8.540 10.703 5.989 1.00 74.24 H new ATOM 0 HH11 ARG A 23 11.082 8.871 7.683 1.00 43.01 H new ATOM 0 HH12 ARG A 23 12.346 9.462 6.599 1.00 43.01 H new ATOM 0 HH21 ARG A 23 10.117 11.273 4.562 1.00 51.51 H new ATOM 0 HH22 ARG A 23 11.800 10.812 4.841 1.00 51.51 H new ATOM 380 N ASP A 24 5.536 5.130 9.566 1.00 0.32 N ATOM 381 CA ASP A 24 5.330 4.162 10.683 1.00 31.25 C ATOM 382 C ASP A 24 4.615 2.869 10.206 1.00 23.23 C ATOM 383 O ASP A 24 4.699 1.825 10.865 1.00 14.01 O ATOM 384 CB ASP A 24 4.597 4.844 11.866 1.00 33.00 C ATOM 385 CG ASP A 24 5.481 5.900 12.561 1.00 4.44 C ATOM 386 OD1 ASP A 24 5.713 6.980 11.977 1.00 40.40 O ATOM 387 OD2 ASP A 24 5.997 5.634 13.667 1.00 72.21 O ATOM 0 H ASP A 24 5.008 5.998 9.653 1.00 0.32 H new ATOM 0 HA ASP A 24 6.309 3.847 11.043 1.00 31.25 H new ATOM 0 HB2 ASP A 24 3.684 5.317 11.503 1.00 33.00 H new ATOM 0 HB3 ASP A 24 4.297 4.088 12.591 1.00 33.00 H new ATOM 392 N PHE A 25 3.931 2.964 9.051 1.00 22.40 N ATOM 393 CA PHE A 25 3.392 1.804 8.299 1.00 75.04 C ATOM 394 C PHE A 25 4.536 0.879 7.806 1.00 54.22 C ATOM 395 O PHE A 25 4.608 -0.293 8.197 1.00 14.24 O ATOM 396 CB PHE A 25 2.546 2.361 7.119 1.00 14.13 C ATOM 397 CG PHE A 25 2.124 1.392 6.010 1.00 74.51 C ATOM 398 CD1 PHE A 25 1.064 0.509 6.187 1.00 25.51 C ATOM 399 CD2 PHE A 25 2.747 1.425 4.756 1.00 51.12 C ATOM 400 CE1 PHE A 25 0.655 -0.319 5.162 1.00 23.33 C ATOM 401 CE2 PHE A 25 2.344 0.590 3.738 1.00 11.45 C ATOM 402 CZ PHE A 25 1.289 -0.273 3.934 1.00 3.44 C ATOM 0 H PHE A 25 3.732 3.859 8.603 1.00 22.40 H new ATOM 0 HA PHE A 25 2.763 1.189 8.943 1.00 75.04 H new ATOM 0 HB2 PHE A 25 1.641 2.803 7.537 1.00 14.13 H new ATOM 0 HB3 PHE A 25 3.111 3.170 6.657 1.00 14.13 H new ATOM 0 HD1 PHE A 25 0.555 0.471 7.139 1.00 25.51 H new ATOM 0 HD2 PHE A 25 3.558 2.118 4.585 1.00 51.12 H new ATOM 0 HE1 PHE A 25 -0.164 -1.006 5.319 1.00 23.33 H new ATOM 0 HE2 PHE A 25 2.855 0.612 2.787 1.00 11.45 H new ATOM 0 HZ PHE A 25 0.957 -0.913 3.130 1.00 3.44 H new ATOM 412 N THR A 26 5.439 1.438 6.978 1.00 60.03 N ATOM 413 CA THR A 26 6.516 0.666 6.314 1.00 53.54 C ATOM 414 C THR A 26 7.690 0.343 7.282 1.00 45.43 C ATOM 415 O THR A 26 8.376 -0.656 7.104 1.00 64.11 O ATOM 416 CB THR A 26 7.051 1.442 5.052 1.00 1.41 C ATOM 417 OG1 THR A 26 5.949 1.832 4.217 1.00 44.32 O ATOM 418 CG2 THR A 26 8.034 0.599 4.207 1.00 62.41 C ATOM 0 H THR A 26 5.446 2.432 6.749 1.00 60.03 H new ATOM 0 HA THR A 26 6.083 -0.283 5.997 1.00 53.54 H new ATOM 0 HB THR A 26 7.588 2.315 5.424 1.00 1.41 H new ATOM 0 HG1 THR A 26 5.435 2.537 4.662 1.00 44.32 H new ATOM 0 HG21 THR A 26 8.371 1.183 3.350 1.00 62.41 H new ATOM 0 HG22 THR A 26 8.893 0.322 4.818 1.00 62.41 H new ATOM 0 HG23 THR A 26 7.532 -0.303 3.856 1.00 62.41 H new ATOM 426 N ARG A 27 7.875 1.171 8.330 1.00 22.25 N ATOM 427 CA ARG A 27 9.084 1.136 9.204 1.00 31.51 C ATOM 428 C ARG A 27 9.007 0.035 10.281 1.00 65.32 C ATOM 429 O ARG A 27 10.034 -0.328 10.875 1.00 25.44 O ATOM 430 CB ARG A 27 9.343 2.526 9.844 1.00 24.13 C ATOM 431 CG ARG A 27 10.706 2.717 10.572 1.00 45.15 C ATOM 432 CD ARG A 27 11.949 2.523 9.663 1.00 34.53 C ATOM 433 NE ARG A 27 12.302 1.098 9.449 1.00 45.23 N ATOM 434 CZ ARG A 27 13.506 0.549 9.674 1.00 2.15 C ATOM 435 NH1 ARG A 27 14.522 1.282 10.122 1.00 4.10 N ATOM 436 NH2 ARG A 27 13.689 -0.736 9.428 1.00 74.23 N ATOM 0 H ARG A 27 7.198 1.884 8.601 1.00 22.25 H new ATOM 0 HA ARG A 27 9.930 0.886 8.563 1.00 31.51 H new ATOM 0 HB2 ARG A 27 9.267 3.281 9.061 1.00 24.13 H new ATOM 0 HB3 ARG A 27 8.545 2.726 10.559 1.00 24.13 H new ATOM 0 HG2 ARG A 27 10.738 3.718 11.002 1.00 45.15 H new ATOM 0 HG3 ARG A 27 10.763 2.012 11.401 1.00 45.15 H new ATOM 0 HD2 ARG A 27 11.761 2.993 8.697 1.00 34.53 H new ATOM 0 HD3 ARG A 27 12.800 3.038 10.108 1.00 34.53 H new ATOM 0 HE ARG A 27 11.567 0.483 9.101 1.00 45.23 H new ATOM 0 HH11 ARG A 27 14.393 2.278 10.300 1.00 4.10 H new ATOM 0 HH12 ARG A 27 15.430 0.848 10.287 1.00 4.10 H new ATOM 0 HH21 ARG A 27 12.919 -1.301 9.070 1.00 74.23 H new ATOM 0 HH22 ARG A 27 14.600 -1.163 9.596 1.00 74.23 H new ATOM 450 N ALA A 28 7.790 -0.493 10.532 1.00 44.22 N ATOM 451 CA ALA A 28 7.580 -1.677 11.411 1.00 24.32 C ATOM 452 C ALA A 28 8.433 -2.881 10.917 1.00 61.54 C ATOM 453 O ALA A 28 8.808 -3.772 11.683 1.00 72.41 O ATOM 454 CB ALA A 28 6.083 -2.035 11.439 1.00 11.23 C ATOM 0 H ALA A 28 6.927 -0.118 10.137 1.00 44.22 H new ATOM 0 HA ALA A 28 7.903 -1.436 12.424 1.00 24.32 H new ATOM 0 HB1 ALA A 28 5.928 -2.901 12.082 1.00 11.23 H new ATOM 0 HB2 ALA A 28 5.514 -1.190 11.826 1.00 11.23 H new ATOM 0 HB3 ALA A 28 5.746 -2.268 10.429 1.00 11.23 H new ATOM 460 N TYR A 29 8.704 -2.852 9.606 1.00 13.01 N ATOM 461 CA TYR A 29 9.571 -3.777 8.860 1.00 24.05 C ATOM 462 C TYR A 29 10.309 -2.902 7.808 1.00 42.43 C ATOM 463 O TYR A 29 10.723 -1.786 8.164 1.00 1.05 O ATOM 464 CB TYR A 29 8.671 -4.888 8.216 1.00 2.41 C ATOM 465 CG TYR A 29 7.252 -4.390 7.820 1.00 4.20 C ATOM 466 CD1 TYR A 29 7.048 -3.602 6.684 1.00 51.35 C ATOM 467 CD2 TYR A 29 6.126 -4.673 8.614 1.00 74.42 C ATOM 468 CE1 TYR A 29 5.798 -3.118 6.359 1.00 3.42 C ATOM 469 CE2 TYR A 29 4.872 -4.195 8.279 1.00 72.52 C ATOM 470 CZ TYR A 29 4.714 -3.419 7.156 1.00 61.23 C ATOM 471 OH TYR A 29 3.470 -2.925 6.839 1.00 12.34 O ATOM 0 H TYR A 29 8.300 -2.139 8.999 1.00 13.01 H new ATOM 0 HA TYR A 29 10.306 -4.292 9.479 1.00 24.05 H new ATOM 0 HB2 TYR A 29 9.170 -5.279 7.329 1.00 2.41 H new ATOM 0 HB3 TYR A 29 8.573 -5.716 8.918 1.00 2.41 H new ATOM 0 HD1 TYR A 29 7.888 -3.367 6.047 1.00 51.35 H new ATOM 0 HD2 TYR A 29 6.243 -5.275 9.503 1.00 74.42 H new ATOM 0 HE1 TYR A 29 5.668 -2.503 5.480 1.00 3.42 H new ATOM 0 HE2 TYR A 29 4.019 -4.431 8.898 1.00 72.52 H new ATOM 0 HH TYR A 29 3.397 -1.999 7.150 1.00 12.34 H new ATOM 481 N GLU A 30 10.554 -3.451 6.582 1.00 31.00 N ATOM 482 CA GLU A 30 10.698 -2.674 5.306 1.00 35.11 C ATOM 483 C GLU A 30 10.869 -3.682 4.085 1.00 1.02 C ATOM 484 O GLU A 30 10.421 -4.829 4.257 1.00 41.13 O ATOM 485 CB GLU A 30 11.719 -1.471 5.406 1.00 13.24 C ATOM 486 CG GLU A 30 13.122 -1.775 5.991 1.00 11.54 C ATOM 487 CD GLU A 30 14.053 -0.540 6.047 1.00 25.04 C ATOM 488 OE1 GLU A 30 13.566 0.580 6.338 1.00 32.24 O ATOM 489 OE2 GLU A 30 15.276 -0.685 5.827 1.00 11.12 O ATOM 0 H GLU A 30 10.659 -4.457 6.447 1.00 31.00 H new ATOM 0 HA GLU A 30 9.777 -2.128 5.100 1.00 35.11 H new ATOM 0 HB2 GLU A 30 11.853 -1.058 4.406 1.00 13.24 H new ATOM 0 HB3 GLU A 30 11.262 -0.691 6.014 1.00 13.24 H new ATOM 0 HG2 GLU A 30 13.007 -2.178 6.997 1.00 11.54 H new ATOM 0 HG3 GLU A 30 13.597 -2.550 5.389 1.00 11.54 H new ATOM 496 N PRO A 31 11.505 -3.363 2.855 1.00 23.24 N ATOM 497 CA PRO A 31 11.004 -3.884 1.536 1.00 13.00 C ATOM 498 C PRO A 31 10.787 -5.415 1.417 1.00 23.53 C ATOM 499 O PRO A 31 9.729 -5.865 0.956 1.00 33.31 O ATOM 500 CB PRO A 31 12.085 -3.408 0.505 1.00 32.54 C ATOM 501 CG PRO A 31 12.788 -2.281 1.180 1.00 44.54 C ATOM 502 CD PRO A 31 12.826 -2.679 2.633 1.00 52.03 C ATOM 0 HA PRO A 31 9.997 -3.499 1.373 1.00 13.00 H new ATOM 0 HB2 PRO A 31 12.776 -4.213 0.257 1.00 32.54 H new ATOM 0 HB3 PRO A 31 11.625 -3.084 -0.429 1.00 32.54 H new ATOM 0 HG2 PRO A 31 13.792 -2.142 0.780 1.00 44.54 H new ATOM 0 HG3 PRO A 31 12.256 -1.340 1.040 1.00 44.54 H new ATOM 0 HD2 PRO A 31 13.662 -3.346 2.843 1.00 52.03 H new ATOM 0 HD3 PRO A 31 12.941 -1.811 3.282 1.00 52.03 H new ATOM 510 N ASP A 32 11.775 -6.199 1.859 1.00 50.24 N ATOM 511 CA ASP A 32 11.912 -7.615 1.456 1.00 22.31 C ATOM 512 C ASP A 32 11.088 -8.585 2.322 1.00 42.22 C ATOM 513 O ASP A 32 10.121 -9.195 1.841 1.00 0.12 O ATOM 514 CB ASP A 32 13.412 -8.000 1.479 1.00 71.11 C ATOM 515 CG ASP A 32 13.691 -9.458 1.058 1.00 10.52 C ATOM 516 OD1 ASP A 32 13.526 -9.776 -0.138 1.00 44.53 O ATOM 517 OD2 ASP A 32 14.087 -10.281 1.914 1.00 52.12 O ATOM 0 H ASP A 32 12.500 -5.880 2.501 1.00 50.24 H new ATOM 0 HA ASP A 32 11.508 -7.709 0.448 1.00 22.31 H new ATOM 0 HB2 ASP A 32 13.959 -7.330 0.816 1.00 71.11 H new ATOM 0 HB3 ASP A 32 13.802 -7.842 2.484 1.00 71.11 H new ATOM 522 N SER A 33 11.469 -8.726 3.603 1.00 65.05 N ATOM 523 CA SER A 33 10.954 -9.803 4.474 1.00 14.21 C ATOM 524 C SER A 33 10.226 -9.245 5.704 1.00 64.11 C ATOM 525 O SER A 33 10.749 -8.366 6.408 1.00 23.43 O ATOM 526 CB SER A 33 12.128 -10.717 4.899 1.00 44.42 C ATOM 527 OG SER A 33 11.673 -11.845 5.650 1.00 24.20 O ATOM 0 H SER A 33 12.135 -8.105 4.063 1.00 65.05 H new ATOM 0 HA SER A 33 10.223 -10.383 3.911 1.00 14.21 H new ATOM 0 HB2 SER A 33 12.661 -11.061 4.013 1.00 44.42 H new ATOM 0 HB3 SER A 33 12.838 -10.144 5.496 1.00 44.42 H new ATOM 0 HG SER A 33 12.439 -12.402 5.901 1.00 24.20 H new ATOM 533 N VAL A 34 9.017 -9.776 5.948 1.00 43.35 N ATOM 534 CA VAL A 34 8.207 -9.498 7.155 1.00 30.45 C ATOM 535 C VAL A 34 7.798 -10.868 7.752 1.00 51.22 C ATOM 536 O VAL A 34 8.269 -11.281 8.821 1.00 34.54 O ATOM 537 CB VAL A 34 6.897 -8.662 6.832 1.00 4.40 C ATOM 538 CG1 VAL A 34 6.168 -8.235 8.124 1.00 21.43 C ATOM 539 CG2 VAL A 34 7.216 -7.443 5.916 1.00 42.15 C ATOM 0 H VAL A 34 8.563 -10.423 5.303 1.00 43.35 H new ATOM 0 HA VAL A 34 8.800 -8.901 7.848 1.00 30.45 H new ATOM 0 HB VAL A 34 6.217 -9.311 6.280 1.00 4.40 H new ATOM 0 HG11 VAL A 34 5.276 -7.664 7.867 1.00 21.43 H new ATOM 0 HG12 VAL A 34 5.881 -9.121 8.690 1.00 21.43 H new ATOM 0 HG13 VAL A 34 6.832 -7.617 8.729 1.00 21.43 H new ATOM 0 HG21 VAL A 34 6.299 -6.891 5.713 1.00 42.15 H new ATOM 0 HG22 VAL A 34 7.930 -6.789 6.416 1.00 42.15 H new ATOM 0 HG23 VAL A 34 7.643 -7.795 4.977 1.00 42.15 H new ATOM 549 N LEU A 35 6.911 -11.559 7.011 1.00 54.31 N ATOM 550 CA LEU A 35 6.465 -12.928 7.303 1.00 53.20 C ATOM 551 C LEU A 35 6.684 -13.773 6.036 1.00 60.22 C ATOM 552 O LEU A 35 6.410 -13.266 4.938 1.00 3.54 O ATOM 553 CB LEU A 35 4.956 -12.938 7.694 1.00 32.13 C ATOM 554 CG LEU A 35 4.581 -12.191 9.018 1.00 44.53 C ATOM 555 CD1 LEU A 35 3.046 -12.145 9.219 1.00 70.21 C ATOM 556 CD2 LEU A 35 5.307 -12.807 10.245 1.00 41.03 C ATOM 0 H LEU A 35 6.477 -11.169 6.174 1.00 54.31 H new ATOM 0 HA LEU A 35 7.031 -13.336 8.140 1.00 53.20 H new ATOM 0 HB2 LEU A 35 4.387 -12.494 6.877 1.00 32.13 H new ATOM 0 HB3 LEU A 35 4.631 -13.975 7.782 1.00 32.13 H new ATOM 0 HG LEU A 35 4.928 -11.162 8.927 1.00 44.53 H new ATOM 0 HD11 LEU A 35 2.816 -11.620 10.146 1.00 70.21 H new ATOM 0 HD12 LEU A 35 2.585 -11.621 8.382 1.00 70.21 H new ATOM 0 HD13 LEU A 35 2.655 -13.161 9.271 1.00 70.21 H new ATOM 0 HD21 LEU A 35 5.023 -12.264 11.146 1.00 41.03 H new ATOM 0 HD22 LEU A 35 5.023 -13.854 10.348 1.00 41.03 H new ATOM 0 HD23 LEU A 35 6.385 -12.736 10.103 1.00 41.03 H new ATOM 568 N PRO A 36 7.256 -15.020 6.141 1.00 54.32 N ATOM 569 CA PRO A 36 7.301 -15.988 5.016 1.00 61.14 C ATOM 570 C PRO A 36 5.907 -16.289 4.414 1.00 55.24 C ATOM 571 O PRO A 36 5.198 -17.204 4.860 1.00 74.44 O ATOM 572 CB PRO A 36 7.949 -17.257 5.655 1.00 63.01 C ATOM 573 CG PRO A 36 8.780 -16.717 6.774 1.00 64.14 C ATOM 574 CD PRO A 36 7.993 -15.546 7.330 1.00 41.50 C ATOM 0 HA PRO A 36 7.864 -15.600 4.167 1.00 61.14 H new ATOM 0 HB2 PRO A 36 7.192 -17.951 6.020 1.00 63.01 H new ATOM 0 HB3 PRO A 36 8.558 -17.801 4.933 1.00 63.01 H new ATOM 0 HG2 PRO A 36 8.950 -17.475 7.539 1.00 64.14 H new ATOM 0 HG3 PRO A 36 9.760 -16.398 6.418 1.00 64.14 H new ATOM 0 HD2 PRO A 36 7.309 -15.861 8.118 1.00 41.50 H new ATOM 0 HD3 PRO A 36 8.650 -14.790 7.761 1.00 41.50 H new ATOM 582 N LEU A 37 5.503 -15.468 3.424 1.00 55.11 N ATOM 583 CA LEU A 37 4.302 -15.726 2.614 1.00 70.40 C ATOM 584 C LEU A 37 4.718 -16.750 1.530 1.00 44.44 C ATOM 585 O LEU A 37 5.010 -16.387 0.381 1.00 74.52 O ATOM 586 CB LEU A 37 3.747 -14.402 1.988 1.00 32.33 C ATOM 587 CG LEU A 37 3.688 -13.145 2.925 1.00 44.01 C ATOM 588 CD1 LEU A 37 3.133 -11.917 2.173 1.00 41.44 C ATOM 589 CD2 LEU A 37 2.897 -13.401 4.231 1.00 42.42 C ATOM 0 H LEU A 37 5.998 -14.614 3.167 1.00 55.11 H new ATOM 0 HA LEU A 37 3.491 -16.125 3.224 1.00 70.40 H new ATOM 0 HB2 LEU A 37 4.361 -14.152 1.123 1.00 32.33 H new ATOM 0 HB3 LEU A 37 2.740 -14.597 1.618 1.00 32.33 H new ATOM 0 HG LEU A 37 4.715 -12.934 3.222 1.00 44.01 H new ATOM 0 HD11 LEU A 37 3.103 -11.061 2.847 1.00 41.44 H new ATOM 0 HD12 LEU A 37 3.777 -11.689 1.324 1.00 41.44 H new ATOM 0 HD13 LEU A 37 2.126 -12.133 1.817 1.00 41.44 H new ATOM 0 HD21 LEU A 37 2.892 -12.495 4.837 1.00 42.42 H new ATOM 0 HD22 LEU A 37 1.872 -13.680 3.987 1.00 42.42 H new ATOM 0 HD23 LEU A 37 3.369 -14.209 4.790 1.00 42.42 H new ATOM 601 N ALA A 38 4.784 -18.033 1.940 1.00 50.14 N ATOM 602 CA ALA A 38 5.502 -19.111 1.208 1.00 0.04 C ATOM 603 C ALA A 38 4.651 -19.733 0.077 1.00 2.11 C ATOM 604 O ALA A 38 4.858 -20.890 -0.315 1.00 34.40 O ATOM 605 CB ALA A 38 5.944 -20.175 2.230 1.00 30.34 C ATOM 0 H ALA A 38 4.337 -18.359 2.797 1.00 50.14 H new ATOM 0 HA ALA A 38 6.373 -18.681 0.713 1.00 0.04 H new ATOM 0 HB1 ALA A 38 6.473 -20.977 1.715 1.00 30.34 H new ATOM 0 HB2 ALA A 38 6.605 -19.719 2.967 1.00 30.34 H new ATOM 0 HB3 ALA A 38 5.067 -20.584 2.732 1.00 30.34 H new ATOM 611 N ASP A 39 3.742 -18.925 -0.468 1.00 74.45 N ATOM 612 CA ASP A 39 2.826 -19.304 -1.540 1.00 52.14 C ATOM 613 C ASP A 39 3.437 -18.990 -2.917 1.00 74.41 C ATOM 614 O ASP A 39 3.611 -19.883 -3.753 1.00 32.20 O ATOM 615 CB ASP A 39 1.502 -18.530 -1.338 1.00 3.54 C ATOM 616 CG ASP A 39 0.564 -18.588 -2.550 1.00 12.35 C ATOM 617 OD1 ASP A 39 -0.115 -19.615 -2.736 1.00 44.12 O ATOM 618 OD2 ASP A 39 0.520 -17.608 -3.333 1.00 51.22 O ATOM 0 H ASP A 39 3.620 -17.959 -0.165 1.00 74.45 H new ATOM 0 HA ASP A 39 2.638 -20.377 -1.507 1.00 52.14 H new ATOM 0 HB2 ASP A 39 0.984 -18.935 -0.469 1.00 3.54 H new ATOM 0 HB3 ASP A 39 1.731 -17.488 -1.116 1.00 3.54 H new ATOM 623 N GLY A 40 3.751 -17.704 -3.132 1.00 15.12 N ATOM 624 CA GLY A 40 4.202 -17.205 -4.429 1.00 73.41 C ATOM 625 C GLY A 40 3.522 -15.891 -4.774 1.00 11.32 C ATOM 626 O GLY A 40 4.148 -14.828 -4.691 1.00 21.42 O ATOM 0 H GLY A 40 3.698 -16.986 -2.410 1.00 15.12 H new ATOM 0 HA2 GLY A 40 5.283 -17.066 -4.413 1.00 73.41 H new ATOM 0 HA3 GLY A 40 3.987 -17.943 -5.201 1.00 73.41 H new ATOM 630 N VAL A 41 2.215 -15.958 -5.116 1.00 75.22 N ATOM 631 CA VAL A 41 1.413 -14.762 -5.458 1.00 41.33 C ATOM 632 C VAL A 41 1.334 -13.807 -4.254 1.00 1.11 C ATOM 633 O VAL A 41 1.491 -12.609 -4.423 1.00 73.44 O ATOM 634 CB VAL A 41 -0.039 -15.144 -5.957 1.00 60.14 C ATOM 635 CG1 VAL A 41 -0.952 -13.902 -6.157 1.00 5.23 C ATOM 636 CG2 VAL A 41 0.027 -15.992 -7.252 1.00 53.33 C ATOM 0 H VAL A 41 1.692 -16.832 -5.162 1.00 75.22 H new ATOM 0 HA VAL A 41 1.917 -14.256 -6.282 1.00 41.33 H new ATOM 0 HB VAL A 41 -0.492 -15.744 -5.168 1.00 60.14 H new ATOM 0 HG11 VAL A 41 -1.935 -14.225 -6.500 1.00 5.23 H new ATOM 0 HG12 VAL A 41 -1.054 -13.369 -5.211 1.00 5.23 H new ATOM 0 HG13 VAL A 41 -0.508 -13.240 -6.900 1.00 5.23 H new ATOM 0 HG21 VAL A 41 -0.984 -16.242 -7.575 1.00 53.33 H new ATOM 0 HG22 VAL A 41 0.528 -15.422 -8.035 1.00 53.33 H new ATOM 0 HG23 VAL A 41 0.583 -16.909 -7.058 1.00 53.33 H new ATOM 646 N LEU A 42 1.146 -14.365 -3.044 1.00 74.03 N ATOM 647 CA LEU A 42 0.987 -13.567 -1.796 1.00 55.42 C ATOM 648 C LEU A 42 2.252 -12.721 -1.493 1.00 4.53 C ATOM 649 O LEU A 42 2.152 -11.561 -1.067 1.00 14.10 O ATOM 650 CB LEU A 42 0.637 -14.502 -0.602 1.00 30.24 C ATOM 651 CG LEU A 42 -0.562 -15.491 -0.836 1.00 1.13 C ATOM 652 CD1 LEU A 42 -0.846 -16.351 0.415 1.00 13.14 C ATOM 653 CD2 LEU A 42 -1.836 -14.756 -1.305 1.00 41.12 C ATOM 0 H LEU A 42 1.099 -15.373 -2.895 1.00 74.03 H new ATOM 0 HA LEU A 42 0.163 -12.868 -1.943 1.00 55.42 H new ATOM 0 HB2 LEU A 42 1.522 -15.087 -0.351 1.00 30.24 H new ATOM 0 HB3 LEU A 42 0.408 -13.882 0.265 1.00 30.24 H new ATOM 0 HG LEU A 42 -0.260 -16.163 -1.639 1.00 1.13 H new ATOM 0 HD11 LEU A 42 -1.681 -17.022 0.214 1.00 13.14 H new ATOM 0 HD12 LEU A 42 0.039 -16.938 0.662 1.00 13.14 H new ATOM 0 HD13 LEU A 42 -1.096 -15.702 1.254 1.00 13.14 H new ATOM 0 HD21 LEU A 42 -2.639 -15.478 -1.454 1.00 41.12 H new ATOM 0 HD22 LEU A 42 -2.137 -14.030 -0.549 1.00 41.12 H new ATOM 0 HD23 LEU A 42 -1.634 -14.240 -2.243 1.00 41.12 H new ATOM 665 N SER A 43 3.437 -13.314 -1.742 1.00 2.53 N ATOM 666 CA SER A 43 4.743 -12.635 -1.555 1.00 24.20 C ATOM 667 C SER A 43 4.957 -11.551 -2.636 1.00 43.21 C ATOM 668 O SER A 43 5.531 -10.483 -2.364 1.00 54.22 O ATOM 669 CB SER A 43 5.890 -13.677 -1.566 1.00 41.52 C ATOM 670 OG SER A 43 7.143 -13.074 -1.270 1.00 1.15 O ATOM 0 H SER A 43 3.520 -14.274 -2.077 1.00 2.53 H new ATOM 0 HA SER A 43 4.745 -12.136 -0.586 1.00 24.20 H new ATOM 0 HB2 SER A 43 5.680 -14.459 -0.836 1.00 41.52 H new ATOM 0 HB3 SER A 43 5.938 -14.157 -2.543 1.00 41.52 H new ATOM 0 HG SER A 43 7.846 -13.757 -1.283 1.00 1.15 H new ATOM 676 N PHE A 44 4.467 -11.839 -3.855 1.00 54.13 N ATOM 677 CA PHE A 44 4.444 -10.879 -4.975 1.00 0.11 C ATOM 678 C PHE A 44 3.539 -9.685 -4.627 1.00 14.20 C ATOM 679 O PHE A 44 3.897 -8.548 -4.894 1.00 14.24 O ATOM 680 CB PHE A 44 3.969 -11.607 -6.263 1.00 34.12 C ATOM 681 CG PHE A 44 3.710 -10.706 -7.476 1.00 64.12 C ATOM 682 CD1 PHE A 44 4.764 -10.208 -8.240 1.00 40.02 C ATOM 683 CD2 PHE A 44 2.406 -10.363 -7.855 1.00 21.15 C ATOM 684 CE1 PHE A 44 4.530 -9.401 -9.336 1.00 41.23 C ATOM 685 CE2 PHE A 44 2.172 -9.554 -8.950 1.00 11.11 C ATOM 686 CZ PHE A 44 3.234 -9.074 -9.694 1.00 34.12 C ATOM 0 H PHE A 44 4.073 -12.749 -4.093 1.00 54.13 H new ATOM 0 HA PHE A 44 5.446 -10.488 -5.153 1.00 0.11 H new ATOM 0 HB2 PHE A 44 4.719 -12.348 -6.537 1.00 34.12 H new ATOM 0 HB3 PHE A 44 3.052 -12.151 -6.034 1.00 34.12 H new ATOM 0 HD1 PHE A 44 5.780 -10.457 -7.971 1.00 40.02 H new ATOM 0 HD2 PHE A 44 1.570 -10.737 -7.282 1.00 21.15 H new ATOM 0 HE1 PHE A 44 5.360 -9.024 -9.915 1.00 41.23 H new ATOM 0 HE2 PHE A 44 1.160 -9.297 -9.225 1.00 11.11 H new ATOM 0 HZ PHE A 44 3.052 -8.445 -10.553 1.00 34.12 H new ATOM 696 N ILE A 45 2.392 -9.972 -3.986 1.00 62.10 N ATOM 697 CA ILE A 45 1.420 -8.950 -3.539 1.00 72.22 C ATOM 698 C ILE A 45 2.071 -8.039 -2.486 1.00 64.44 C ATOM 699 O ILE A 45 1.933 -6.818 -2.551 1.00 30.45 O ATOM 700 CB ILE A 45 0.105 -9.613 -2.958 1.00 73.24 C ATOM 701 CG1 ILE A 45 -0.676 -10.428 -4.053 1.00 72.21 C ATOM 702 CG2 ILE A 45 -0.816 -8.588 -2.262 1.00 53.34 C ATOM 703 CD1 ILE A 45 -0.857 -9.749 -5.403 1.00 25.30 C ATOM 0 H ILE A 45 2.109 -10.926 -3.761 1.00 62.10 H new ATOM 0 HA ILE A 45 1.132 -8.354 -4.405 1.00 72.22 H new ATOM 0 HB ILE A 45 0.433 -10.318 -2.194 1.00 73.24 H new ATOM 0 HG12 ILE A 45 -0.155 -11.372 -4.213 1.00 72.21 H new ATOM 0 HG13 ILE A 45 -1.662 -10.672 -3.658 1.00 72.21 H new ATOM 0 HG21 ILE A 45 -1.703 -9.095 -1.882 1.00 53.34 H new ATOM 0 HG22 ILE A 45 -0.282 -8.122 -1.434 1.00 53.34 H new ATOM 0 HG23 ILE A 45 -1.115 -7.822 -2.978 1.00 53.34 H new ATOM 0 HD11 ILE A 45 -1.409 -10.410 -6.071 1.00 25.30 H new ATOM 0 HD12 ILE A 45 -1.411 -8.820 -5.271 1.00 25.30 H new ATOM 0 HD13 ILE A 45 0.120 -9.531 -5.834 1.00 25.30 H new ATOM 715 N HIS A 46 2.787 -8.660 -1.530 1.00 44.25 N ATOM 716 CA HIS A 46 3.630 -7.944 -0.540 1.00 52.33 C ATOM 717 C HIS A 46 4.617 -6.990 -1.233 1.00 2.14 C ATOM 718 O HIS A 46 4.745 -5.820 -0.833 1.00 32.54 O ATOM 719 CB HIS A 46 4.397 -8.967 0.349 1.00 54.41 C ATOM 720 CG HIS A 46 5.631 -8.424 1.049 1.00 31.01 C ATOM 721 ND1 HIS A 46 5.583 -7.475 2.046 1.00 5.33 N ATOM 722 CD2 HIS A 46 6.954 -8.666 0.840 1.00 63.44 C ATOM 723 CE1 HIS A 46 6.810 -7.159 2.411 1.00 45.44 C ATOM 724 NE2 HIS A 46 7.658 -7.861 1.697 1.00 63.02 N ATOM 0 H HIS A 46 2.801 -9.674 -1.418 1.00 44.25 H new ATOM 0 HA HIS A 46 2.975 -7.344 0.092 1.00 52.33 H new ATOM 0 HB2 HIS A 46 3.712 -9.352 1.104 1.00 54.41 H new ATOM 0 HB3 HIS A 46 4.694 -9.812 -0.272 1.00 54.41 H new ATOM 0 HD2 HIS A 46 7.372 -9.364 0.130 1.00 63.44 H new ATOM 0 HE1 HIS A 46 7.074 -6.440 3.173 1.00 45.44 H new ATOM 0 HE2 HIS A 46 8.674 -7.815 1.768 1.00 63.02 H new ATOM 733 N HIS A 47 5.322 -7.517 -2.251 1.00 12.22 N ATOM 734 CA HIS A 47 6.296 -6.738 -3.035 1.00 24.24 C ATOM 735 C HIS A 47 5.625 -5.519 -3.689 1.00 73.41 C ATOM 736 O HIS A 47 6.133 -4.415 -3.567 1.00 72.53 O ATOM 737 CB HIS A 47 6.981 -7.621 -4.116 1.00 34.15 C ATOM 738 CG HIS A 47 7.744 -6.839 -5.175 1.00 24.33 C ATOM 739 ND1 HIS A 47 7.296 -6.701 -6.473 1.00 62.41 N ATOM 740 CD2 HIS A 47 8.904 -6.128 -5.113 1.00 20.34 C ATOM 741 CE1 HIS A 47 8.136 -5.955 -7.155 1.00 62.31 C ATOM 742 NE2 HIS A 47 9.120 -5.585 -6.357 1.00 3.55 N ATOM 0 H HIS A 47 5.233 -8.488 -2.551 1.00 12.22 H new ATOM 0 HA HIS A 47 7.064 -6.383 -2.347 1.00 24.24 H new ATOM 0 HB2 HIS A 47 7.669 -8.309 -3.624 1.00 34.15 H new ATOM 0 HB3 HIS A 47 6.221 -8.228 -4.607 1.00 34.15 H new ATOM 0 HD2 HIS A 47 9.537 -6.012 -4.246 1.00 20.34 H new ATOM 0 HE1 HIS A 47 8.037 -5.689 -8.197 1.00 62.31 H new ATOM 0 HE2 HIS A 47 9.909 -4.995 -6.620 1.00 3.55 H new ATOM 751 N GLN A 48 4.477 -5.741 -4.352 1.00 4.31 N ATOM 752 CA GLN A 48 3.746 -4.678 -5.078 1.00 33.42 C ATOM 753 C GLN A 48 3.286 -3.571 -4.112 1.00 53.52 C ATOM 754 O GLN A 48 3.476 -2.387 -4.377 1.00 32.03 O ATOM 755 CB GLN A 48 2.527 -5.268 -5.829 1.00 10.23 C ATOM 756 CG GLN A 48 2.851 -6.388 -6.836 1.00 12.52 C ATOM 757 CD GLN A 48 3.734 -5.951 -8.001 1.00 35.13 C ATOM 758 OE1 GLN A 48 3.118 -5.555 -9.100 1.00 2.54 O flip ATOM 759 NE2 GLN A 48 4.963 -6.012 -7.925 1.00 30.21 N flip ATOM 0 H GLN A 48 4.028 -6.656 -4.402 1.00 4.31 H new ATOM 0 HA GLN A 48 4.428 -4.240 -5.807 1.00 33.42 H new ATOM 0 HB2 GLN A 48 1.822 -5.656 -5.094 1.00 10.23 H new ATOM 0 HB3 GLN A 48 2.023 -4.460 -6.359 1.00 10.23 H new ATOM 0 HG2 GLN A 48 3.345 -7.204 -6.308 1.00 12.52 H new ATOM 0 HG3 GLN A 48 1.917 -6.785 -7.233 1.00 12.52 H new ATOM 0 HE21 GLN A 48 5.406 -6.322 -7.060 1.00 30.21 H new ATOM 0 HE22 GLN A 48 5.537 -5.752 -8.727 1.00 30.21 H new ATOM 768 N ILE A 49 2.722 -3.996 -2.972 1.00 74.13 N ATOM 769 CA ILE A 49 2.237 -3.101 -1.904 1.00 14.44 C ATOM 770 C ILE A 49 3.367 -2.198 -1.370 1.00 43.24 C ATOM 771 O ILE A 49 3.249 -0.977 -1.431 1.00 64.13 O ATOM 772 CB ILE A 49 1.579 -3.942 -0.735 1.00 34.34 C ATOM 773 CG1 ILE A 49 0.166 -4.481 -1.177 1.00 34.24 C ATOM 774 CG2 ILE A 49 1.481 -3.130 0.588 1.00 14.24 C ATOM 775 CD1 ILE A 49 -0.494 -5.440 -0.202 1.00 14.44 C ATOM 0 H ILE A 49 2.587 -4.985 -2.760 1.00 74.13 H new ATOM 0 HA ILE A 49 1.474 -2.449 -2.330 1.00 14.44 H new ATOM 0 HB ILE A 49 2.230 -4.793 -0.534 1.00 34.34 H new ATOM 0 HG12 ILE A 49 -0.498 -3.630 -1.331 1.00 34.24 H new ATOM 0 HG13 ILE A 49 0.271 -4.982 -2.140 1.00 34.24 H new ATOM 0 HG21 ILE A 49 1.023 -3.748 1.361 1.00 14.24 H new ATOM 0 HG22 ILE A 49 2.480 -2.831 0.906 1.00 14.24 H new ATOM 0 HG23 ILE A 49 0.871 -2.241 0.425 1.00 14.24 H new ATOM 0 HD11 ILE A 49 -1.460 -5.753 -0.597 1.00 14.44 H new ATOM 0 HD12 ILE A 49 0.142 -6.314 -0.065 1.00 14.44 H new ATOM 0 HD13 ILE A 49 -0.638 -4.942 0.757 1.00 14.44 H new ATOM 787 N ILE A 50 4.468 -2.810 -0.880 1.00 44.24 N ATOM 788 CA ILE A 50 5.573 -2.056 -0.229 1.00 21.51 C ATOM 789 C ILE A 50 6.350 -1.203 -1.246 1.00 42.25 C ATOM 790 O ILE A 50 6.744 -0.068 -0.936 1.00 32.34 O ATOM 791 CB ILE A 50 6.551 -3.016 0.547 1.00 53.32 C ATOM 792 CG1 ILE A 50 5.779 -3.806 1.646 1.00 1.45 C ATOM 793 CG2 ILE A 50 7.749 -2.245 1.170 1.00 5.15 C ATOM 794 CD1 ILE A 50 5.195 -2.949 2.765 1.00 54.43 C ATOM 0 H ILE A 50 4.619 -3.818 -0.920 1.00 44.24 H new ATOM 0 HA ILE A 50 5.114 -1.384 0.496 1.00 21.51 H new ATOM 0 HB ILE A 50 6.959 -3.722 -0.176 1.00 53.32 H new ATOM 0 HG12 ILE A 50 4.969 -4.360 1.172 1.00 1.45 H new ATOM 0 HG13 ILE A 50 6.453 -4.541 2.086 1.00 1.45 H new ATOM 0 HG21 ILE A 50 8.398 -2.945 1.696 1.00 5.15 H new ATOM 0 HG22 ILE A 50 8.313 -1.750 0.380 1.00 5.15 H new ATOM 0 HG23 ILE A 50 7.376 -1.499 1.872 1.00 5.15 H new ATOM 0 HD11 ILE A 50 4.677 -3.588 3.480 1.00 54.43 H new ATOM 0 HD12 ILE A 50 5.999 -2.415 3.271 1.00 54.43 H new ATOM 0 HD13 ILE A 50 4.491 -2.231 2.344 1.00 54.43 H new ATOM 806 N GLU A 51 6.546 -1.747 -2.459 1.00 25.25 N ATOM 807 CA GLU A 51 7.233 -1.038 -3.553 1.00 24.42 C ATOM 808 C GLU A 51 6.460 0.224 -3.929 1.00 72.04 C ATOM 809 O GLU A 51 7.033 1.304 -3.945 1.00 15.34 O ATOM 810 CB GLU A 51 7.423 -1.958 -4.792 1.00 55.24 C ATOM 811 CG GLU A 51 8.014 -1.266 -6.044 1.00 72.12 C ATOM 812 CD GLU A 51 8.510 -2.266 -7.104 1.00 32.10 C ATOM 813 OE1 GLU A 51 7.708 -2.710 -7.956 1.00 33.23 O ATOM 814 OE2 GLU A 51 9.710 -2.623 -7.076 1.00 24.23 O ATOM 0 H GLU A 51 6.235 -2.686 -2.708 1.00 25.25 H new ATOM 0 HA GLU A 51 8.224 -0.751 -3.202 1.00 24.42 H new ATOM 0 HB2 GLU A 51 8.075 -2.786 -4.513 1.00 55.24 H new ATOM 0 HB3 GLU A 51 6.457 -2.388 -5.057 1.00 55.24 H new ATOM 0 HG2 GLU A 51 7.256 -0.620 -6.488 1.00 72.12 H new ATOM 0 HG3 GLU A 51 8.842 -0.625 -5.742 1.00 72.12 H new ATOM 821 N LEU A 52 5.144 0.070 -4.156 1.00 3.45 N ATOM 822 CA LEU A 52 4.268 1.181 -4.593 1.00 44.14 C ATOM 823 C LEU A 52 3.871 2.101 -3.421 1.00 35.22 C ATOM 824 O LEU A 52 3.409 3.221 -3.654 1.00 14.30 O ATOM 825 CB LEU A 52 3.034 0.635 -5.356 1.00 23.53 C ATOM 826 CG LEU A 52 3.356 -0.184 -6.652 1.00 3.30 C ATOM 827 CD1 LEU A 52 2.070 -0.741 -7.311 1.00 52.54 C ATOM 828 CD2 LEU A 52 4.187 0.656 -7.651 1.00 65.43 C ATOM 0 H LEU A 52 4.657 -0.819 -4.044 1.00 3.45 H new ATOM 0 HA LEU A 52 4.836 1.803 -5.285 1.00 44.14 H new ATOM 0 HB2 LEU A 52 2.460 0.002 -4.679 1.00 23.53 H new ATOM 0 HB3 LEU A 52 2.394 1.475 -5.627 1.00 23.53 H new ATOM 0 HG LEU A 52 3.961 -1.041 -6.356 1.00 3.30 H new ATOM 0 HD11 LEU A 52 2.334 -1.303 -8.207 1.00 52.54 H new ATOM 0 HD12 LEU A 52 1.557 -1.398 -6.609 1.00 52.54 H new ATOM 0 HD13 LEU A 52 1.413 0.085 -7.582 1.00 52.54 H new ATOM 0 HD21 LEU A 52 4.395 0.062 -8.541 1.00 65.43 H new ATOM 0 HD22 LEU A 52 3.625 1.547 -7.933 1.00 65.43 H new ATOM 0 HD23 LEU A 52 5.126 0.952 -7.184 1.00 65.43 H new ATOM 840 N ALA A 53 4.038 1.618 -2.173 1.00 43.44 N ATOM 841 CA ALA A 53 3.898 2.452 -0.954 1.00 41.34 C ATOM 842 C ALA A 53 5.077 3.432 -0.852 1.00 53.13 C ATOM 843 O ALA A 53 4.896 4.635 -0.671 1.00 21.50 O ATOM 844 CB ALA A 53 3.825 1.567 0.305 1.00 42.31 C ATOM 0 H ALA A 53 4.273 0.645 -1.978 1.00 43.44 H new ATOM 0 HA ALA A 53 2.970 3.020 -1.025 1.00 41.34 H new ATOM 0 HB1 ALA A 53 3.723 2.198 1.188 1.00 42.31 H new ATOM 0 HB2 ALA A 53 2.965 0.902 0.233 1.00 42.31 H new ATOM 0 HB3 ALA A 53 4.736 0.974 0.386 1.00 42.31 H new ATOM 850 N ARG A 54 6.282 2.878 -0.997 1.00 72.22 N ATOM 851 CA ARG A 54 7.552 3.634 -0.997 1.00 3.31 C ATOM 852 C ARG A 54 7.615 4.537 -2.249 1.00 61.12 C ATOM 853 O ARG A 54 8.163 5.643 -2.215 1.00 0.42 O ATOM 854 CB ARG A 54 8.725 2.604 -0.973 1.00 20.14 C ATOM 855 CG ARG A 54 10.146 3.115 -0.588 1.00 13.21 C ATOM 856 CD ARG A 54 10.864 3.995 -1.656 1.00 51.25 C ATOM 857 NE ARG A 54 10.478 3.669 -3.051 1.00 0.24 N ATOM 858 CZ ARG A 54 10.880 2.604 -3.769 1.00 54.32 C ATOM 859 NH1 ARG A 54 11.708 1.698 -3.259 1.00 71.24 N ATOM 860 NH2 ARG A 54 10.424 2.440 -5.001 1.00 13.33 N ATOM 0 H ARG A 54 6.413 1.874 -1.120 1.00 72.22 H new ATOM 0 HA ARG A 54 7.626 4.280 -0.122 1.00 3.31 H new ATOM 0 HB2 ARG A 54 8.457 1.810 -0.276 1.00 20.14 H new ATOM 0 HB3 ARG A 54 8.791 2.151 -1.962 1.00 20.14 H new ATOM 0 HG2 ARG A 54 10.067 3.690 0.335 1.00 13.21 H new ATOM 0 HG3 ARG A 54 10.776 2.252 -0.373 1.00 13.21 H new ATOM 0 HD2 ARG A 54 10.639 5.044 -1.461 1.00 51.25 H new ATOM 0 HD3 ARG A 54 11.942 3.875 -1.549 1.00 51.25 H new ATOM 0 HE ARG A 54 9.842 4.319 -3.514 1.00 0.24 H new ATOM 0 HH11 ARG A 54 12.052 1.802 -2.305 1.00 71.24 H new ATOM 0 HH12 ARG A 54 11.999 0.899 -3.822 1.00 71.24 H new ATOM 0 HH21 ARG A 54 9.774 3.118 -5.399 1.00 13.33 H new ATOM 0 HH22 ARG A 54 10.723 1.636 -5.553 1.00 13.33 H new ATOM 874 N ASP A 55 7.063 4.027 -3.353 1.00 2.54 N ATOM 875 CA ASP A 55 7.019 4.728 -4.646 1.00 21.02 C ATOM 876 C ASP A 55 6.030 5.901 -4.559 1.00 5.40 C ATOM 877 O ASP A 55 6.286 6.979 -5.102 1.00 14.51 O ATOM 878 CB ASP A 55 6.634 3.723 -5.759 1.00 61.30 C ATOM 879 CG ASP A 55 6.665 4.292 -7.173 1.00 53.22 C ATOM 880 OD1 ASP A 55 7.706 4.852 -7.570 1.00 52.12 O ATOM 881 OD2 ASP A 55 5.666 4.153 -7.905 1.00 64.22 O ATOM 0 H ASP A 55 6.628 3.105 -3.378 1.00 2.54 H new ATOM 0 HA ASP A 55 7.998 5.139 -4.892 1.00 21.02 H new ATOM 0 HB2 ASP A 55 7.312 2.871 -5.710 1.00 61.30 H new ATOM 0 HB3 ASP A 55 5.632 3.345 -5.557 1.00 61.30 H new ATOM 886 N CYS A 56 4.924 5.683 -3.813 1.00 24.41 N ATOM 887 CA CYS A 56 3.980 6.754 -3.435 1.00 74.51 C ATOM 888 C CYS A 56 4.703 7.810 -2.593 1.00 21.25 C ATOM 889 O CYS A 56 4.592 9.000 -2.854 1.00 3.22 O ATOM 890 CB CYS A 56 2.773 6.192 -2.647 1.00 32.43 C ATOM 891 SG CYS A 56 1.580 7.446 -2.118 1.00 2.31 S ATOM 0 H CYS A 56 4.663 4.763 -3.458 1.00 24.41 H new ATOM 0 HA CYS A 56 3.603 7.209 -4.351 1.00 74.51 H new ATOM 0 HB2 CYS A 56 2.259 5.457 -3.267 1.00 32.43 H new ATOM 0 HB3 CYS A 56 3.142 5.664 -1.767 1.00 32.43 H new ATOM 0 HG CYS A 56 0.609 6.875 -1.470 1.00 2.31 H new ATOM 897 N LEU A 57 5.488 7.329 -1.620 1.00 24.34 N ATOM 898 CA LEU A 57 6.267 8.165 -0.687 1.00 21.33 C ATOM 899 C LEU A 57 7.261 9.088 -1.442 1.00 34.22 C ATOM 900 O LEU A 57 7.406 10.272 -1.109 1.00 40.44 O ATOM 901 CB LEU A 57 7.014 7.223 0.301 1.00 42.52 C ATOM 902 CG LEU A 57 7.795 7.892 1.465 1.00 4.42 C ATOM 903 CD1 LEU A 57 6.837 8.682 2.369 1.00 64.21 C ATOM 904 CD2 LEU A 57 8.600 6.837 2.271 1.00 73.14 C ATOM 0 H LEU A 57 5.604 6.329 -1.453 1.00 24.34 H new ATOM 0 HA LEU A 57 5.593 8.822 -0.137 1.00 21.33 H new ATOM 0 HB2 LEU A 57 6.284 6.539 0.733 1.00 42.52 H new ATOM 0 HB3 LEU A 57 7.716 6.619 -0.274 1.00 42.52 H new ATOM 0 HG LEU A 57 8.513 8.595 1.042 1.00 4.42 H new ATOM 0 HD11 LEU A 57 7.400 9.145 3.180 1.00 64.21 H new ATOM 0 HD12 LEU A 57 6.340 9.456 1.784 1.00 64.21 H new ATOM 0 HD13 LEU A 57 6.090 8.007 2.786 1.00 64.21 H new ATOM 0 HD21 LEU A 57 9.138 7.330 3.080 1.00 73.14 H new ATOM 0 HD22 LEU A 57 7.916 6.098 2.688 1.00 73.14 H new ATOM 0 HD23 LEU A 57 9.312 6.341 1.611 1.00 73.14 H new ATOM 916 N THR A 58 7.908 8.525 -2.478 1.00 43.15 N ATOM 917 CA THR A 58 8.908 9.236 -3.298 1.00 71.20 C ATOM 918 C THR A 58 8.226 10.272 -4.229 1.00 65.12 C ATOM 919 O THR A 58 8.640 11.439 -4.297 1.00 51.31 O ATOM 920 CB THR A 58 9.737 8.208 -4.144 1.00 54.33 C ATOM 921 OG1 THR A 58 10.290 7.193 -3.281 1.00 63.04 O ATOM 922 CG2 THR A 58 10.880 8.880 -4.926 1.00 65.34 C ATOM 0 H THR A 58 7.752 7.561 -2.772 1.00 43.15 H new ATOM 0 HA THR A 58 9.582 9.773 -2.630 1.00 71.20 H new ATOM 0 HB THR A 58 9.052 7.763 -4.866 1.00 54.33 H new ATOM 0 HG1 THR A 58 9.564 6.652 -2.905 1.00 63.04 H new ATOM 0 HG21 THR A 58 11.424 8.126 -5.495 1.00 65.34 H new ATOM 0 HG22 THR A 58 10.466 9.622 -5.609 1.00 65.34 H new ATOM 0 HG23 THR A 58 11.560 9.368 -4.228 1.00 65.34 H new ATOM 930 N LYS A 59 7.164 9.827 -4.921 1.00 63.11 N ATOM 931 CA LYS A 59 6.404 10.660 -5.884 1.00 63.24 C ATOM 932 C LYS A 59 5.580 11.761 -5.169 1.00 15.50 C ATOM 933 O LYS A 59 5.232 12.772 -5.789 1.00 2.33 O ATOM 934 CB LYS A 59 5.487 9.754 -6.748 1.00 3.42 C ATOM 935 CG LYS A 59 6.217 8.808 -7.736 1.00 64.43 C ATOM 936 CD LYS A 59 5.248 7.800 -8.406 1.00 21.20 C ATOM 937 CE LYS A 59 5.898 7.002 -9.554 1.00 32.24 C ATOM 938 NZ LYS A 59 5.009 5.906 -10.042 1.00 1.03 N ATOM 0 H LYS A 59 6.803 8.877 -4.832 1.00 63.11 H new ATOM 0 HA LYS A 59 7.118 11.169 -6.532 1.00 63.24 H new ATOM 0 HB2 LYS A 59 4.872 9.149 -6.081 1.00 3.42 H new ATOM 0 HB3 LYS A 59 4.809 10.391 -7.317 1.00 3.42 H new ATOM 0 HG2 LYS A 59 6.711 9.401 -8.506 1.00 64.43 H new ATOM 0 HG3 LYS A 59 6.996 8.262 -7.205 1.00 64.43 H new ATOM 0 HD2 LYS A 59 4.880 7.104 -7.652 1.00 21.20 H new ATOM 0 HD3 LYS A 59 4.383 8.339 -8.792 1.00 21.20 H new ATOM 0 HE2 LYS A 59 6.130 7.676 -10.379 1.00 32.24 H new ATOM 0 HE3 LYS A 59 6.843 6.579 -9.213 1.00 32.24 H new ATOM 0 HZ1 LYS A 59 5.355 5.561 -10.960 1.00 1.03 H new ATOM 0 HZ2 LYS A 59 5.011 5.125 -9.355 1.00 1.03 H new ATOM 0 HZ3 LYS A 59 4.040 6.268 -10.151 1.00 1.03 H new ATOM 952 N SER A 60 5.252 11.539 -3.870 1.00 64.34 N ATOM 953 CA SER A 60 4.518 12.520 -3.024 1.00 51.44 C ATOM 954 C SER A 60 5.431 13.690 -2.624 1.00 21.32 C ATOM 955 O SER A 60 4.955 14.792 -2.319 1.00 25.13 O ATOM 956 CB SER A 60 3.955 11.840 -1.757 1.00 74.23 C ATOM 957 OG SER A 60 3.189 12.743 -0.970 1.00 60.25 O ATOM 0 H SER A 60 5.488 10.677 -3.379 1.00 64.34 H new ATOM 0 HA SER A 60 3.687 12.909 -3.613 1.00 51.44 H new ATOM 0 HB2 SER A 60 3.334 10.992 -2.045 1.00 74.23 H new ATOM 0 HB3 SER A 60 4.777 11.445 -1.160 1.00 74.23 H new ATOM 0 HG SER A 60 3.375 12.588 -0.020 1.00 60.25 H new ATOM 963 N ARG A 61 6.753 13.440 -2.650 1.00 60.02 N ATOM 964 CA ARG A 61 7.790 14.482 -2.486 1.00 63.05 C ATOM 965 C ARG A 61 8.056 15.221 -3.825 1.00 75.34 C ATOM 966 O ARG A 61 9.064 15.925 -3.976 1.00 2.43 O ATOM 967 CB ARG A 61 9.092 13.833 -1.938 1.00 1.13 C ATOM 968 CG ARG A 61 8.982 13.333 -0.477 1.00 73.21 C ATOM 969 CD ARG A 61 10.278 12.669 0.039 1.00 40.34 C ATOM 970 NE ARG A 61 10.331 12.671 1.516 1.00 51.42 N ATOM 971 CZ ARG A 61 11.435 12.866 2.259 1.00 70.13 C ATOM 972 NH1 ARG A 61 12.621 13.044 1.685 1.00 52.02 N ATOM 973 NH2 ARG A 61 11.329 12.971 3.577 1.00 0.12 N ATOM 0 H ARG A 61 7.137 12.505 -2.786 1.00 60.02 H new ATOM 0 HA ARG A 61 7.436 15.225 -1.772 1.00 63.05 H new ATOM 0 HB2 ARG A 61 9.364 12.994 -2.578 1.00 1.13 H new ATOM 0 HB3 ARG A 61 9.902 14.559 -2.002 1.00 1.13 H new ATOM 0 HG2 ARG A 61 8.730 14.173 0.170 1.00 73.21 H new ATOM 0 HG3 ARG A 61 8.162 12.618 -0.405 1.00 73.21 H new ATOM 0 HD2 ARG A 61 10.335 11.644 -0.328 1.00 40.34 H new ATOM 0 HD3 ARG A 61 11.144 13.198 -0.359 1.00 40.34 H new ATOM 0 HE ARG A 61 9.456 12.511 2.014 1.00 51.42 H new ATOM 0 HH11 ARG A 61 12.702 13.034 0.668 1.00 52.02 H new ATOM 0 HH12 ARG A 61 13.450 13.191 2.261 1.00 52.02 H new ATOM 0 HH21 ARG A 61 10.414 12.904 4.022 1.00 0.12 H new ATOM 0 HH22 ARG A 61 12.163 13.119 4.146 1.00 0.12 H new ATOM 987 N ASP A 62 7.132 15.060 -4.781 1.00 13.22 N ATOM 988 CA ASP A 62 7.179 15.693 -6.105 1.00 11.53 C ATOM 989 C ASP A 62 5.739 16.045 -6.524 1.00 74.41 C ATOM 990 O ASP A 62 4.777 15.775 -5.784 1.00 75.33 O ATOM 991 CB ASP A 62 7.832 14.698 -7.127 1.00 33.31 C ATOM 992 CG ASP A 62 8.304 15.365 -8.433 1.00 33.31 C ATOM 993 OD1 ASP A 62 9.409 15.949 -8.439 1.00 14.44 O ATOM 994 OD2 ASP A 62 7.569 15.322 -9.444 1.00 20.41 O ATOM 0 H ASP A 62 6.310 14.470 -4.651 1.00 13.22 H new ATOM 0 HA ASP A 62 7.778 16.603 -6.081 1.00 11.53 H new ATOM 0 HB2 ASP A 62 8.683 14.211 -6.651 1.00 33.31 H new ATOM 0 HB3 ASP A 62 7.112 13.917 -7.369 1.00 33.31 H new ATOM 999 N GLY A 63 5.600 16.668 -7.698 1.00 1.22 N ATOM 1000 CA GLY A 63 4.296 16.887 -8.335 1.00 21.33 C ATOM 1001 C GLY A 63 3.867 15.723 -9.226 1.00 23.52 C ATOM 1002 O GLY A 63 2.886 15.832 -9.984 1.00 23.05 O ATOM 0 H GLY A 63 6.387 17.035 -8.234 1.00 1.22 H new ATOM 0 HA2 GLY A 63 3.542 17.044 -7.564 1.00 21.33 H new ATOM 0 HA3 GLY A 63 4.337 17.799 -8.931 1.00 21.33 H new ATOM 1006 N LEU A 64 4.610 14.598 -9.124 1.00 60.21 N ATOM 1007 CA LEU A 64 4.363 13.371 -9.901 1.00 62.20 C ATOM 1008 C LEU A 64 3.035 12.721 -9.444 1.00 63.04 C ATOM 1009 O LEU A 64 2.264 12.248 -10.279 1.00 73.30 O ATOM 1010 CB LEU A 64 5.578 12.396 -9.741 1.00 5.23 C ATOM 1011 CG LEU A 64 5.886 11.444 -10.960 1.00 11.30 C ATOM 1012 CD1 LEU A 64 7.287 10.796 -10.814 1.00 61.40 C ATOM 1013 CD2 LEU A 64 4.791 10.361 -11.180 1.00 72.43 C ATOM 0 H LEU A 64 5.406 14.520 -8.491 1.00 60.21 H new ATOM 0 HA LEU A 64 4.265 13.611 -10.960 1.00 62.20 H new ATOM 0 HB2 LEU A 64 6.469 12.992 -9.541 1.00 5.23 H new ATOM 0 HB3 LEU A 64 5.404 11.777 -8.861 1.00 5.23 H new ATOM 0 HG LEU A 64 5.881 12.071 -11.852 1.00 11.30 H new ATOM 0 HD11 LEU A 64 7.477 10.144 -11.666 1.00 61.40 H new ATOM 0 HD12 LEU A 64 8.047 11.577 -10.778 1.00 61.40 H new ATOM 0 HD13 LEU A 64 7.323 10.211 -9.895 1.00 61.40 H new ATOM 0 HD21 LEU A 64 5.061 9.738 -12.033 1.00 72.43 H new ATOM 0 HD22 LEU A 64 4.710 9.739 -10.288 1.00 72.43 H new ATOM 0 HD23 LEU A 64 3.834 10.845 -11.373 1.00 72.43 H new ATOM 1025 N ILE A 65 2.782 12.681 -8.115 1.00 31.41 N ATOM 1026 CA ILE A 65 1.438 12.347 -7.610 1.00 53.33 C ATOM 1027 C ILE A 65 0.522 13.561 -7.805 1.00 53.14 C ATOM 1028 O ILE A 65 0.547 14.529 -7.036 1.00 23.41 O ATOM 1029 CB ILE A 65 1.383 11.868 -6.115 1.00 53.31 C ATOM 1030 CG1 ILE A 65 2.170 10.543 -5.943 1.00 30.42 C ATOM 1031 CG2 ILE A 65 -0.121 11.661 -5.681 1.00 10.22 C ATOM 1032 CD1 ILE A 65 2.049 9.913 -4.574 1.00 42.30 C ATOM 0 H ILE A 65 3.475 12.872 -7.391 1.00 31.41 H new ATOM 0 HA ILE A 65 1.102 11.488 -8.190 1.00 53.33 H new ATOM 0 HB ILE A 65 1.841 12.629 -5.483 1.00 53.31 H new ATOM 0 HG12 ILE A 65 1.821 9.829 -6.689 1.00 30.42 H new ATOM 0 HG13 ILE A 65 3.223 10.732 -6.150 1.00 30.42 H new ATOM 0 HG21 ILE A 65 -0.158 11.329 -4.644 1.00 10.22 H new ATOM 0 HG22 ILE A 65 -0.661 12.603 -5.780 1.00 10.22 H new ATOM 0 HG23 ILE A 65 -0.584 10.909 -6.320 1.00 10.22 H new ATOM 0 HD11 ILE A 65 2.631 8.992 -4.545 1.00 42.30 H new ATOM 0 HD12 ILE A 65 2.426 10.605 -3.821 1.00 42.30 H new ATOM 0 HD13 ILE A 65 1.003 9.688 -4.368 1.00 42.30 H new ATOM 1044 N THR A 66 -0.212 13.528 -8.901 1.00 22.42 N ATOM 1045 CA THR A 66 -1.422 14.322 -9.086 1.00 20.11 C ATOM 1046 C THR A 66 -2.647 13.434 -8.703 1.00 60.22 C ATOM 1047 O THR A 66 -2.475 12.381 -8.055 1.00 33.23 O ATOM 1048 CB THR A 66 -1.495 14.823 -10.573 1.00 52.50 C ATOM 1049 OG1 THR A 66 -1.130 13.748 -11.465 1.00 31.41 O ATOM 1050 CG2 THR A 66 -0.565 16.032 -10.792 1.00 3.10 C ATOM 0 H THR A 66 0.015 12.941 -9.703 1.00 22.42 H new ATOM 0 HA THR A 66 -1.420 15.205 -8.447 1.00 20.11 H new ATOM 0 HB THR A 66 -2.517 15.139 -10.784 1.00 52.50 H new ATOM 0 HG1 THR A 66 -1.178 14.062 -12.392 1.00 31.41 H new ATOM 0 HG21 THR A 66 -0.633 16.360 -11.829 1.00 3.10 H new ATOM 0 HG22 THR A 66 -0.866 16.846 -10.133 1.00 3.10 H new ATOM 0 HG23 THR A 66 0.463 15.746 -10.569 1.00 3.10 H new ATOM 1058 N THR A 67 -3.861 13.850 -9.095 1.00 62.14 N ATOM 1059 CA THR A 67 -5.116 13.154 -8.754 1.00 54.45 C ATOM 1060 C THR A 67 -5.087 11.642 -9.115 1.00 22.43 C ATOM 1061 O THR A 67 -5.521 10.796 -8.322 1.00 22.22 O ATOM 1062 CB THR A 67 -6.324 13.858 -9.469 1.00 31.41 C ATOM 1063 OG1 THR A 67 -6.365 15.248 -9.102 1.00 33.40 O ATOM 1064 CG2 THR A 67 -7.689 13.212 -9.144 1.00 31.13 C ATOM 0 H THR A 67 -4.003 14.686 -9.662 1.00 62.14 H new ATOM 0 HA THR A 67 -5.234 13.216 -7.672 1.00 54.45 H new ATOM 0 HB THR A 67 -6.158 13.742 -10.540 1.00 31.41 H new ATOM 0 HG1 THR A 67 -7.119 15.683 -9.552 1.00 33.40 H new ATOM 0 HG21 THR A 67 -8.479 13.747 -9.670 1.00 31.13 H new ATOM 0 HG22 THR A 67 -7.683 12.169 -9.462 1.00 31.13 H new ATOM 0 HG23 THR A 67 -7.869 13.263 -8.070 1.00 31.13 H new ATOM 1072 N VAL A 68 -4.510 11.331 -10.278 1.00 43.43 N ATOM 1073 CA VAL A 68 -4.571 9.986 -10.877 1.00 24.54 C ATOM 1074 C VAL A 68 -3.874 8.912 -10.010 1.00 20.11 C ATOM 1075 O VAL A 68 -4.424 7.823 -9.851 1.00 51.02 O ATOM 1076 CB VAL A 68 -3.972 9.986 -12.335 1.00 1.22 C ATOM 1077 CG1 VAL A 68 -4.121 8.602 -13.029 1.00 3.25 C ATOM 1078 CG2 VAL A 68 -4.605 11.114 -13.193 1.00 75.11 C ATOM 0 H VAL A 68 -3.984 12.004 -10.836 1.00 43.43 H new ATOM 0 HA VAL A 68 -5.627 9.722 -10.928 1.00 24.54 H new ATOM 0 HB VAL A 68 -2.904 10.183 -12.246 1.00 1.22 H new ATOM 0 HG11 VAL A 68 -3.694 8.650 -14.031 1.00 3.25 H new ATOM 0 HG12 VAL A 68 -3.596 7.845 -12.447 1.00 3.25 H new ATOM 0 HG13 VAL A 68 -5.177 8.341 -13.096 1.00 3.25 H new ATOM 0 HG21 VAL A 68 -4.176 11.094 -14.195 1.00 75.11 H new ATOM 0 HG22 VAL A 68 -5.682 10.962 -13.257 1.00 75.11 H new ATOM 0 HG23 VAL A 68 -4.402 12.080 -12.731 1.00 75.11 H new ATOM 1088 N TYR A 69 -2.686 9.235 -9.436 1.00 44.25 N ATOM 1089 CA TYR A 69 -1.837 8.211 -8.766 1.00 1.05 C ATOM 1090 C TYR A 69 -2.526 7.601 -7.532 1.00 63.42 C ATOM 1091 O TYR A 69 -2.404 6.404 -7.307 1.00 52.12 O ATOM 1092 CB TYR A 69 -0.441 8.753 -8.350 1.00 2.13 C ATOM 1093 CG TYR A 69 0.518 7.641 -7.832 1.00 72.41 C ATOM 1094 CD1 TYR A 69 1.353 6.933 -8.703 1.00 51.21 C ATOM 1095 CD2 TYR A 69 0.550 7.271 -6.475 1.00 55.24 C ATOM 1096 CE1 TYR A 69 2.178 5.921 -8.240 1.00 20.44 C ATOM 1097 CE2 TYR A 69 1.374 6.267 -6.020 1.00 30.44 C ATOM 1098 CZ TYR A 69 2.185 5.592 -6.901 1.00 61.34 C ATOM 1099 OH TYR A 69 3.015 4.589 -6.443 1.00 44.45 O ATOM 0 H TYR A 69 -2.298 10.178 -9.422 1.00 44.25 H new ATOM 0 HA TYR A 69 -1.692 7.435 -9.517 1.00 1.05 H new ATOM 0 HB2 TYR A 69 0.018 9.251 -9.204 1.00 2.13 H new ATOM 0 HB3 TYR A 69 -0.568 9.506 -7.572 1.00 2.13 H new ATOM 0 HD1 TYR A 69 1.354 7.180 -9.754 1.00 51.21 H new ATOM 0 HD2 TYR A 69 -0.088 7.788 -5.773 1.00 55.24 H new ATOM 0 HE1 TYR A 69 2.817 5.389 -8.929 1.00 20.44 H new ATOM 0 HE2 TYR A 69 1.383 6.010 -4.971 1.00 30.44 H new ATOM 0 HH TYR A 69 3.823 4.555 -6.996 1.00 44.45 H new ATOM 1109 N PHE A 70 -3.217 8.431 -6.734 1.00 23.34 N ATOM 1110 CA PHE A 70 -3.899 7.955 -5.505 1.00 14.22 C ATOM 1111 C PHE A 70 -4.941 6.864 -5.823 1.00 74.33 C ATOM 1112 O PHE A 70 -4.980 5.822 -5.158 1.00 63.02 O ATOM 1113 CB PHE A 70 -4.558 9.129 -4.736 1.00 34.33 C ATOM 1114 CG PHE A 70 -3.581 10.046 -3.985 1.00 12.34 C ATOM 1115 CD1 PHE A 70 -2.499 9.518 -3.267 1.00 30.30 C ATOM 1116 CD2 PHE A 70 -3.754 11.433 -3.978 1.00 44.51 C ATOM 1117 CE1 PHE A 70 -1.639 10.342 -2.559 1.00 0.42 C ATOM 1118 CE2 PHE A 70 -2.896 12.254 -3.264 1.00 33.44 C ATOM 1119 CZ PHE A 70 -1.835 11.709 -2.562 1.00 21.15 C ATOM 0 H PHE A 70 -3.322 9.430 -6.911 1.00 23.34 H new ATOM 0 HA PHE A 70 -3.136 7.514 -4.864 1.00 14.22 H new ATOM 0 HB2 PHE A 70 -5.127 9.732 -5.443 1.00 34.33 H new ATOM 0 HB3 PHE A 70 -5.271 8.719 -4.020 1.00 34.33 H new ATOM 0 HD1 PHE A 70 -2.333 8.451 -3.266 1.00 30.30 H new ATOM 0 HD2 PHE A 70 -4.568 11.871 -4.537 1.00 44.51 H new ATOM 0 HE1 PHE A 70 -0.816 9.915 -2.005 1.00 0.42 H new ATOM 0 HE2 PHE A 70 -3.056 13.322 -3.255 1.00 33.44 H new ATOM 0 HZ PHE A 70 -1.161 12.353 -2.017 1.00 21.15 H new ATOM 1129 N TYR A 71 -5.747 7.106 -6.870 1.00 31.53 N ATOM 1130 CA TYR A 71 -6.797 6.160 -7.320 1.00 25.31 C ATOM 1131 C TYR A 71 -6.184 4.952 -8.046 1.00 71.42 C ATOM 1132 O TYR A 71 -6.705 3.837 -7.950 1.00 30.31 O ATOM 1133 CB TYR A 71 -7.823 6.879 -8.223 1.00 4.44 C ATOM 1134 CG TYR A 71 -8.557 8.019 -7.505 1.00 35.32 C ATOM 1135 CD1 TYR A 71 -9.583 7.755 -6.590 1.00 13.53 C ATOM 1136 CD2 TYR A 71 -8.223 9.352 -7.733 1.00 33.15 C ATOM 1137 CE1 TYR A 71 -10.243 8.778 -5.938 1.00 73.20 C ATOM 1138 CE2 TYR A 71 -8.879 10.376 -7.081 1.00 0.42 C ATOM 1139 CZ TYR A 71 -9.888 10.087 -6.186 1.00 43.13 C ATOM 1140 OH TYR A 71 -10.552 11.112 -5.541 1.00 63.21 O ATOM 0 H TYR A 71 -5.695 7.957 -7.430 1.00 31.53 H new ATOM 0 HA TYR A 71 -7.316 5.788 -6.436 1.00 25.31 H new ATOM 0 HB2 TYR A 71 -7.311 7.278 -9.099 1.00 4.44 H new ATOM 0 HB3 TYR A 71 -8.553 6.154 -8.583 1.00 4.44 H new ATOM 0 HD1 TYR A 71 -9.864 6.732 -6.390 1.00 13.53 H new ATOM 0 HD2 TYR A 71 -7.436 9.589 -8.433 1.00 33.15 H new ATOM 0 HE1 TYR A 71 -11.034 8.554 -5.237 1.00 73.20 H new ATOM 0 HE2 TYR A 71 -8.603 11.403 -7.271 1.00 0.42 H new ATOM 0 HH TYR A 71 -10.180 11.973 -5.826 1.00 63.21 H new ATOM 1150 N GLU A 72 -5.071 5.193 -8.764 1.00 54.23 N ATOM 1151 CA GLU A 72 -4.287 4.125 -9.427 1.00 0.34 C ATOM 1152 C GLU A 72 -3.791 3.118 -8.376 1.00 3.34 C ATOM 1153 O GLU A 72 -4.041 1.920 -8.495 1.00 33.12 O ATOM 1154 CB GLU A 72 -3.097 4.730 -10.243 1.00 65.02 C ATOM 1155 CG GLU A 72 -2.029 3.720 -10.745 1.00 73.33 C ATOM 1156 CD GLU A 72 -2.578 2.581 -11.629 1.00 20.13 C ATOM 1157 OE1 GLU A 72 -3.010 2.858 -12.767 1.00 73.31 O ATOM 1158 OE2 GLU A 72 -2.579 1.404 -11.190 1.00 24.20 O ATOM 0 H GLU A 72 -4.688 6.128 -8.903 1.00 54.23 H new ATOM 0 HA GLU A 72 -4.929 3.600 -10.134 1.00 0.34 H new ATOM 0 HB2 GLU A 72 -3.505 5.255 -11.107 1.00 65.02 H new ATOM 0 HB3 GLU A 72 -2.599 5.475 -9.623 1.00 65.02 H new ATOM 0 HG2 GLU A 72 -1.271 4.265 -11.308 1.00 73.33 H new ATOM 0 HG3 GLU A 72 -1.530 3.281 -9.881 1.00 73.33 H new ATOM 1165 N LEU A 73 -3.149 3.654 -7.330 1.00 22.23 N ATOM 1166 CA LEU A 73 -2.585 2.881 -6.215 1.00 51.21 C ATOM 1167 C LEU A 73 -3.703 2.146 -5.453 1.00 1.13 C ATOM 1168 O LEU A 73 -3.557 0.973 -5.150 1.00 75.45 O ATOM 1169 CB LEU A 73 -1.793 3.829 -5.264 1.00 52.34 C ATOM 1170 CG LEU A 73 -1.220 3.187 -3.956 1.00 43.13 C ATOM 1171 CD1 LEU A 73 -0.266 2.007 -4.268 1.00 71.45 C ATOM 1172 CD2 LEU A 73 -0.540 4.255 -3.057 1.00 25.02 C ATOM 0 H LEU A 73 -3.004 4.659 -7.233 1.00 22.23 H new ATOM 0 HA LEU A 73 -1.899 2.132 -6.610 1.00 51.21 H new ATOM 0 HB2 LEU A 73 -0.963 4.259 -5.825 1.00 52.34 H new ATOM 0 HB3 LEU A 73 -2.448 4.653 -4.981 1.00 52.34 H new ATOM 0 HG LEU A 73 -2.060 2.776 -3.396 1.00 43.13 H new ATOM 0 HD11 LEU A 73 0.111 1.588 -3.335 1.00 71.45 H new ATOM 0 HD12 LEU A 73 -0.807 1.238 -4.819 1.00 71.45 H new ATOM 0 HD13 LEU A 73 0.570 2.364 -4.869 1.00 71.45 H new ATOM 0 HD21 LEU A 73 -0.152 3.779 -2.156 1.00 25.02 H new ATOM 0 HD22 LEU A 73 0.280 4.721 -3.603 1.00 25.02 H new ATOM 0 HD23 LEU A 73 -1.270 5.015 -2.780 1.00 25.02 H new ATOM 1184 N GLN A 74 -4.810 2.861 -5.190 1.00 12.42 N ATOM 1185 CA GLN A 74 -5.996 2.340 -4.456 1.00 35.33 C ATOM 1186 C GLN A 74 -6.575 1.074 -5.159 1.00 65.03 C ATOM 1187 O GLN A 74 -6.664 -0.021 -4.565 1.00 0.30 O ATOM 1188 CB GLN A 74 -7.058 3.493 -4.383 1.00 3.44 C ATOM 1189 CG GLN A 74 -8.173 3.385 -3.313 1.00 72.41 C ATOM 1190 CD GLN A 74 -9.091 2.176 -3.469 1.00 74.33 C ATOM 1191 OE1 GLN A 74 -8.900 1.143 -2.826 1.00 33.44 O ATOM 1192 NE2 GLN A 74 -10.050 2.280 -4.368 1.00 2.41 N ATOM 0 H GLN A 74 -4.916 3.833 -5.482 1.00 12.42 H new ATOM 0 HA GLN A 74 -5.714 2.034 -3.449 1.00 35.33 H new ATOM 0 HB2 GLN A 74 -6.525 4.429 -4.217 1.00 3.44 H new ATOM 0 HB3 GLN A 74 -7.537 3.568 -5.359 1.00 3.44 H new ATOM 0 HG2 GLN A 74 -7.709 3.347 -2.327 1.00 72.41 H new ATOM 0 HG3 GLN A 74 -8.779 4.291 -3.346 1.00 72.41 H new ATOM 0 HE21 GLN A 74 -10.176 3.153 -4.880 1.00 2.41 H new ATOM 0 HE22 GLN A 74 -10.665 1.488 -4.551 1.00 2.41 H new ATOM 1201 N GLU A 75 -6.946 1.246 -6.434 1.00 53.52 N ATOM 1202 CA GLU A 75 -7.550 0.178 -7.260 1.00 0.32 C ATOM 1203 C GLU A 75 -6.543 -0.958 -7.516 1.00 4.13 C ATOM 1204 O GLU A 75 -6.929 -2.136 -7.592 1.00 24.44 O ATOM 1205 CB GLU A 75 -8.075 0.802 -8.575 1.00 2.21 C ATOM 1206 CG GLU A 75 -9.222 1.822 -8.342 1.00 23.43 C ATOM 1207 CD GLU A 75 -9.575 2.677 -9.572 1.00 51.40 C ATOM 1208 OE1 GLU A 75 -9.788 2.108 -10.666 1.00 54.51 O ATOM 1209 OE2 GLU A 75 -9.672 3.924 -9.444 1.00 42.33 O ATOM 0 H GLU A 75 -6.838 2.131 -6.929 1.00 53.52 H new ATOM 0 HA GLU A 75 -8.389 -0.272 -6.729 1.00 0.32 H new ATOM 0 HB2 GLU A 75 -7.252 1.299 -9.090 1.00 2.21 H new ATOM 0 HB3 GLU A 75 -8.429 0.008 -9.232 1.00 2.21 H new ATOM 0 HG2 GLU A 75 -10.113 1.281 -8.023 1.00 23.43 H new ATOM 0 HG3 GLU A 75 -8.941 2.484 -7.523 1.00 23.43 H new ATOM 1216 N ASN A 76 -5.250 -0.585 -7.610 1.00 2.51 N ATOM 1217 CA ASN A 76 -4.131 -1.543 -7.641 1.00 15.21 C ATOM 1218 C ASN A 76 -4.151 -2.404 -6.371 1.00 73.14 C ATOM 1219 O ASN A 76 -4.092 -3.623 -6.461 1.00 12.42 O ATOM 1220 CB ASN A 76 -2.775 -0.798 -7.815 1.00 30.24 C ATOM 1221 CG ASN A 76 -1.547 -1.578 -7.328 1.00 53.32 C ATOM 1222 OD1 ASN A 76 -0.970 -2.377 -8.065 1.00 42.45 O ATOM 1223 ND2 ASN A 76 -1.130 -1.336 -6.085 1.00 2.45 N ATOM 0 H ASN A 76 -4.955 0.390 -7.666 1.00 2.51 H new ATOM 0 HA ASN A 76 -4.246 -2.204 -8.500 1.00 15.21 H new ATOM 0 HB2 ASN A 76 -2.641 -0.558 -8.870 1.00 30.24 H new ATOM 0 HB3 ASN A 76 -2.824 0.148 -7.276 1.00 30.24 H new ATOM 0 HD21 ASN A 76 -0.310 -1.819 -5.719 1.00 2.45 H new ATOM 0 HD22 ASN A 76 -1.631 -0.667 -5.500 1.00 2.45 H new ATOM 1230 N LEU A 77 -4.307 -1.750 -5.201 1.00 35.32 N ATOM 1231 CA LEU A 77 -4.317 -2.428 -3.890 1.00 53.35 C ATOM 1232 C LEU A 77 -5.477 -3.423 -3.809 1.00 73.30 C ATOM 1233 O LEU A 77 -5.316 -4.477 -3.223 1.00 63.30 O ATOM 1234 CB LEU A 77 -4.416 -1.416 -2.713 1.00 53.22 C ATOM 1235 CG LEU A 77 -3.194 -0.481 -2.462 1.00 43.12 C ATOM 1236 CD1 LEU A 77 -3.478 0.490 -1.284 1.00 62.30 C ATOM 1237 CD2 LEU A 77 -1.890 -1.293 -2.251 1.00 72.40 C ATOM 0 H LEU A 77 -4.429 -0.739 -5.140 1.00 35.32 H new ATOM 0 HA LEU A 77 -3.371 -2.962 -3.799 1.00 53.35 H new ATOM 0 HB2 LEU A 77 -5.291 -0.788 -2.882 1.00 53.22 H new ATOM 0 HB3 LEU A 77 -4.601 -1.980 -1.799 1.00 53.22 H new ATOM 0 HG LEU A 77 -3.041 0.125 -3.355 1.00 43.12 H new ATOM 0 HD11 LEU A 77 -2.612 1.133 -1.126 1.00 62.30 H new ATOM 0 HD12 LEU A 77 -4.348 1.103 -1.520 1.00 62.30 H new ATOM 0 HD13 LEU A 77 -3.674 -0.084 -0.378 1.00 62.30 H new ATOM 0 HD21 LEU A 77 -1.059 -0.609 -2.079 1.00 72.40 H new ATOM 0 HD22 LEU A 77 -2.005 -1.948 -1.388 1.00 72.40 H new ATOM 0 HD23 LEU A 77 -1.688 -1.893 -3.138 1.00 72.40 H new ATOM 1249 N GLU A 78 -6.639 -3.058 -4.390 1.00 63.02 N ATOM 1250 CA GLU A 78 -7.818 -3.962 -4.460 1.00 75.51 C ATOM 1251 C GLU A 78 -7.579 -5.172 -5.400 1.00 31.21 C ATOM 1252 O GLU A 78 -8.025 -6.282 -5.094 1.00 4.02 O ATOM 1253 CB GLU A 78 -9.080 -3.174 -4.877 1.00 35.33 C ATOM 1254 CG GLU A 78 -9.598 -2.193 -3.804 1.00 2.53 C ATOM 1255 CD GLU A 78 -10.723 -1.273 -4.334 1.00 34.20 C ATOM 1256 OE1 GLU A 78 -10.482 -0.524 -5.308 1.00 54.33 O ATOM 1257 OE2 GLU A 78 -11.858 -1.313 -3.800 1.00 2.33 O ATOM 0 H GLU A 78 -6.791 -2.145 -4.819 1.00 63.02 H new ATOM 0 HA GLU A 78 -7.975 -4.369 -3.461 1.00 75.51 H new ATOM 0 HB2 GLU A 78 -8.862 -2.616 -5.788 1.00 35.33 H new ATOM 0 HB3 GLU A 78 -9.873 -3.882 -5.119 1.00 35.33 H new ATOM 0 HG2 GLU A 78 -9.968 -2.758 -2.949 1.00 2.53 H new ATOM 0 HG3 GLU A 78 -8.770 -1.580 -3.447 1.00 2.53 H new ATOM 1264 N LYS A 79 -6.888 -4.950 -6.533 1.00 33.32 N ATOM 1265 CA LYS A 79 -6.447 -6.047 -7.441 1.00 12.53 C ATOM 1266 C LYS A 79 -5.561 -7.052 -6.660 1.00 15.04 C ATOM 1267 O LYS A 79 -5.810 -8.271 -6.669 1.00 73.21 O ATOM 1268 CB LYS A 79 -5.702 -5.430 -8.671 1.00 72.14 C ATOM 1269 CG LYS A 79 -4.811 -6.384 -9.517 1.00 63.15 C ATOM 1270 CD LYS A 79 -5.587 -7.530 -10.212 1.00 62.43 C ATOM 1271 CE LYS A 79 -4.662 -8.452 -11.040 1.00 33.11 C ATOM 1272 NZ LYS A 79 -5.371 -9.678 -11.500 1.00 24.24 N ATOM 0 H LYS A 79 -6.618 -4.019 -6.850 1.00 33.32 H new ATOM 0 HA LYS A 79 -7.309 -6.600 -7.815 1.00 12.53 H new ATOM 0 HB2 LYS A 79 -6.449 -4.991 -9.332 1.00 72.14 H new ATOM 0 HB3 LYS A 79 -5.076 -4.614 -8.311 1.00 72.14 H new ATOM 0 HG2 LYS A 79 -4.292 -5.799 -10.277 1.00 63.15 H new ATOM 0 HG3 LYS A 79 -4.047 -6.817 -8.871 1.00 63.15 H new ATOM 0 HD2 LYS A 79 -6.106 -8.123 -9.459 1.00 62.43 H new ATOM 0 HD3 LYS A 79 -6.350 -7.105 -10.864 1.00 62.43 H new ATOM 0 HE2 LYS A 79 -4.283 -7.906 -11.904 1.00 33.11 H new ATOM 0 HE3 LYS A 79 -3.799 -8.736 -10.438 1.00 33.11 H new ATOM 0 HZ1 LYS A 79 -4.751 -10.220 -12.135 1.00 24.24 H new ATOM 0 HZ2 LYS A 79 -5.622 -10.263 -10.678 1.00 24.24 H new ATOM 0 HZ3 LYS A 79 -6.237 -9.408 -12.009 1.00 24.24 H new ATOM 1286 N LEU A 80 -4.585 -6.494 -5.930 1.00 44.11 N ATOM 1287 CA LEU A 80 -3.639 -7.254 -5.091 1.00 61.44 C ATOM 1288 C LEU A 80 -4.395 -7.983 -3.963 1.00 1.31 C ATOM 1289 O LEU A 80 -4.139 -9.149 -3.675 1.00 30.21 O ATOM 1290 CB LEU A 80 -2.593 -6.281 -4.479 1.00 42.24 C ATOM 1291 CG LEU A 80 -1.790 -5.387 -5.478 1.00 11.04 C ATOM 1292 CD1 LEU A 80 -0.836 -4.429 -4.727 1.00 21.04 C ATOM 1293 CD2 LEU A 80 -1.051 -6.231 -6.544 1.00 65.33 C ATOM 0 H LEU A 80 -4.426 -5.487 -5.903 1.00 44.11 H new ATOM 0 HA LEU A 80 -3.131 -7.995 -5.708 1.00 61.44 H new ATOM 0 HB2 LEU A 80 -3.109 -5.626 -3.777 1.00 42.24 H new ATOM 0 HB3 LEU A 80 -1.880 -6.869 -3.901 1.00 42.24 H new ATOM 0 HG LEU A 80 -2.509 -4.770 -6.018 1.00 11.04 H new ATOM 0 HD11 LEU A 80 -0.291 -3.820 -5.448 1.00 21.04 H new ATOM 0 HD12 LEU A 80 -1.415 -3.781 -4.069 1.00 21.04 H new ATOM 0 HD13 LEU A 80 -0.129 -5.010 -4.135 1.00 21.04 H new ATOM 0 HD21 LEU A 80 -0.506 -5.570 -7.218 1.00 65.33 H new ATOM 0 HD22 LEU A 80 -0.351 -6.906 -6.052 1.00 65.33 H new ATOM 0 HD23 LEU A 80 -1.776 -6.812 -7.114 1.00 65.33 H new ATOM 1305 N LEU A 81 -5.346 -7.245 -3.373 1.00 23.05 N ATOM 1306 CA LEU A 81 -6.202 -7.684 -2.247 1.00 61.51 C ATOM 1307 C LEU A 81 -7.022 -8.916 -2.642 1.00 70.11 C ATOM 1308 O LEU A 81 -7.169 -9.858 -1.865 1.00 43.24 O ATOM 1309 CB LEU A 81 -7.178 -6.530 -1.871 1.00 55.41 C ATOM 1310 CG LEU A 81 -8.186 -6.787 -0.709 1.00 51.40 C ATOM 1311 CD1 LEU A 81 -7.510 -6.636 0.667 1.00 2.34 C ATOM 1312 CD2 LEU A 81 -9.433 -5.875 -0.840 1.00 52.11 C ATOM 0 H LEU A 81 -5.552 -6.292 -3.672 1.00 23.05 H new ATOM 0 HA LEU A 81 -5.565 -7.938 -1.400 1.00 61.51 H new ATOM 0 HB2 LEU A 81 -6.581 -5.656 -1.611 1.00 55.41 H new ATOM 0 HB3 LEU A 81 -7.751 -6.271 -2.761 1.00 55.41 H new ATOM 0 HG LEU A 81 -8.527 -7.819 -0.786 1.00 51.40 H new ATOM 0 HD11 LEU A 81 -8.241 -6.822 1.454 1.00 2.34 H new ATOM 0 HD12 LEU A 81 -6.694 -7.354 0.752 1.00 2.34 H new ATOM 0 HD13 LEU A 81 -7.116 -5.625 0.770 1.00 2.34 H new ATOM 0 HD21 LEU A 81 -10.119 -6.076 -0.017 1.00 52.11 H new ATOM 0 HD22 LEU A 81 -9.124 -4.830 -0.809 1.00 52.11 H new ATOM 0 HD23 LEU A 81 -9.934 -6.077 -1.787 1.00 52.11 H new ATOM 1324 N GLN A 82 -7.556 -8.861 -3.865 1.00 52.34 N ATOM 1325 CA GLN A 82 -8.486 -9.867 -4.389 1.00 12.23 C ATOM 1326 C GLN A 82 -7.727 -11.143 -4.812 1.00 74.25 C ATOM 1327 O GLN A 82 -8.181 -12.258 -4.525 1.00 33.41 O ATOM 1328 CB GLN A 82 -9.296 -9.268 -5.576 1.00 60.24 C ATOM 1329 CG GLN A 82 -10.727 -9.820 -5.739 1.00 73.43 C ATOM 1330 CD GLN A 82 -11.649 -9.452 -4.574 1.00 43.13 C ATOM 1331 OE1 GLN A 82 -12.301 -8.407 -4.585 1.00 43.34 O ATOM 1332 NE2 GLN A 82 -11.716 -10.307 -3.566 1.00 31.03 N ATOM 0 H GLN A 82 -7.354 -8.111 -4.526 1.00 52.34 H new ATOM 0 HA GLN A 82 -9.187 -10.149 -3.603 1.00 12.23 H new ATOM 0 HB2 GLN A 82 -9.353 -8.187 -5.447 1.00 60.24 H new ATOM 0 HB3 GLN A 82 -8.746 -9.450 -6.499 1.00 60.24 H new ATOM 0 HG2 GLN A 82 -11.154 -9.438 -6.667 1.00 73.43 H new ATOM 0 HG3 GLN A 82 -10.683 -10.905 -5.831 1.00 73.43 H new ATOM 0 HE21 GLN A 82 -11.163 -11.164 -3.587 1.00 31.03 H new ATOM 0 HE22 GLN A 82 -12.320 -10.109 -2.768 1.00 31.03 H new ATOM 1341 N ASP A 83 -6.566 -10.967 -5.487 1.00 73.31 N ATOM 1342 CA ASP A 83 -5.658 -12.096 -5.834 1.00 13.34 C ATOM 1343 C ASP A 83 -5.059 -12.738 -4.570 1.00 51.00 C ATOM 1344 O ASP A 83 -4.770 -13.939 -4.557 1.00 0.52 O ATOM 1345 CB ASP A 83 -4.524 -11.620 -6.793 1.00 54.42 C ATOM 1346 CG ASP A 83 -4.982 -11.510 -8.259 1.00 43.41 C ATOM 1347 OD1 ASP A 83 -5.626 -10.509 -8.615 1.00 21.52 O ATOM 1348 OD2 ASP A 83 -4.720 -12.446 -9.053 1.00 35.02 O ATOM 0 H ASP A 83 -6.233 -10.056 -5.804 1.00 73.31 H new ATOM 0 HA ASP A 83 -6.251 -12.852 -6.348 1.00 13.34 H new ATOM 0 HB2 ASP A 83 -4.157 -10.649 -6.459 1.00 54.42 H new ATOM 0 HB3 ASP A 83 -3.687 -12.316 -6.731 1.00 54.42 H new ATOM 1353 N ALA A 84 -4.889 -11.937 -3.503 1.00 53.44 N ATOM 1354 CA ALA A 84 -4.410 -12.443 -2.200 1.00 42.41 C ATOM 1355 C ALA A 84 -5.547 -13.049 -1.335 1.00 34.53 C ATOM 1356 O ALA A 84 -5.294 -13.912 -0.482 1.00 21.00 O ATOM 1357 CB ALA A 84 -3.681 -11.337 -1.454 1.00 71.24 C ATOM 0 H ALA A 84 -5.076 -10.934 -3.516 1.00 53.44 H new ATOM 0 HA ALA A 84 -3.716 -13.260 -2.400 1.00 42.41 H new ATOM 0 HB1 ALA A 84 -3.330 -11.716 -0.494 1.00 71.24 H new ATOM 0 HB2 ALA A 84 -2.829 -11.000 -2.045 1.00 71.24 H new ATOM 0 HB3 ALA A 84 -4.361 -10.501 -1.288 1.00 71.24 H new ATOM 1363 N TYR A 85 -6.795 -12.601 -1.576 1.00 5.44 N ATOM 1364 CA TYR A 85 -8.007 -13.209 -0.957 1.00 50.51 C ATOM 1365 C TYR A 85 -8.289 -14.595 -1.559 1.00 42.14 C ATOM 1366 O TYR A 85 -9.039 -15.388 -0.977 1.00 52.42 O ATOM 1367 CB TYR A 85 -9.277 -12.299 -1.096 1.00 63.12 C ATOM 1368 CG TYR A 85 -9.500 -11.293 0.056 1.00 71.31 C ATOM 1369 CD1 TYR A 85 -9.111 -11.591 1.371 1.00 14.53 C ATOM 1370 CD2 TYR A 85 -10.137 -10.063 -0.157 1.00 63.22 C ATOM 1371 CE1 TYR A 85 -9.340 -10.706 2.409 1.00 43.11 C ATOM 1372 CE2 TYR A 85 -10.361 -9.180 0.886 1.00 34.54 C ATOM 1373 CZ TYR A 85 -9.963 -9.502 2.156 1.00 40.04 C ATOM 1374 OH TYR A 85 -10.188 -8.615 3.186 1.00 11.20 O ATOM 0 H TYR A 85 -6.999 -11.817 -2.196 1.00 5.44 H new ATOM 0 HA TYR A 85 -7.793 -13.312 0.107 1.00 50.51 H new ATOM 0 HB2 TYR A 85 -9.205 -11.744 -2.032 1.00 63.12 H new ATOM 0 HB3 TYR A 85 -10.156 -12.939 -1.172 1.00 63.12 H new ATOM 0 HD1 TYR A 85 -8.622 -12.532 1.577 1.00 14.53 H new ATOM 0 HD2 TYR A 85 -10.459 -9.799 -1.153 1.00 63.22 H new ATOM 0 HE1 TYR A 85 -9.032 -10.957 3.413 1.00 43.11 H new ATOM 0 HE2 TYR A 85 -10.850 -8.236 0.697 1.00 34.54 H new ATOM 0 HH TYR A 85 -9.368 -8.511 3.713 1.00 11.20 H new ATOM 1384 N GLU A 86 -7.692 -14.868 -2.734 1.00 15.15 N ATOM 1385 CA GLU A 86 -7.691 -16.207 -3.329 1.00 74.20 C ATOM 1386 C GLU A 86 -6.746 -17.117 -2.514 1.00 24.42 C ATOM 1387 O GLU A 86 -5.744 -16.628 -1.967 1.00 40.15 O ATOM 1388 CB GLU A 86 -7.259 -16.155 -4.841 1.00 63.21 C ATOM 1389 CG GLU A 86 -8.181 -16.940 -5.805 1.00 25.33 C ATOM 1390 CD GLU A 86 -8.426 -18.405 -5.379 1.00 43.02 C ATOM 1391 OE1 GLU A 86 -7.568 -19.270 -5.642 1.00 75.45 O ATOM 1392 OE2 GLU A 86 -9.479 -18.695 -4.757 1.00 63.21 O ATOM 0 H GLU A 86 -7.201 -14.168 -3.290 1.00 15.15 H new ATOM 0 HA GLU A 86 -8.701 -16.615 -3.298 1.00 74.20 H new ATOM 0 HB2 GLU A 86 -7.226 -15.113 -5.160 1.00 63.21 H new ATOM 0 HB3 GLU A 86 -6.246 -16.547 -4.929 1.00 63.21 H new ATOM 0 HG2 GLU A 86 -9.140 -16.426 -5.874 1.00 25.33 H new ATOM 0 HG3 GLU A 86 -7.741 -16.930 -6.802 1.00 25.33 H new ATOM 1399 N ARG A 87 -7.108 -18.421 -2.427 1.00 53.51 N ATOM 1400 CA ARG A 87 -6.336 -19.488 -1.734 1.00 4.43 C ATOM 1401 C ARG A 87 -6.487 -19.423 -0.205 1.00 21.00 C ATOM 1402 O ARG A 87 -7.095 -20.320 0.400 1.00 0.34 O ATOM 1403 CB ARG A 87 -4.822 -19.489 -2.134 1.00 42.42 C ATOM 1404 CG ARG A 87 -4.570 -19.695 -3.642 1.00 75.02 C ATOM 1405 CD ARG A 87 -3.131 -19.358 -4.063 1.00 63.30 C ATOM 1406 NE ARG A 87 -2.975 -19.383 -5.525 1.00 71.44 N ATOM 1407 CZ ARG A 87 -1.855 -19.091 -6.200 1.00 15.13 C ATOM 1408 NH1 ARG A 87 -0.738 -18.768 -5.565 1.00 62.31 N ATOM 1409 NH2 ARG A 87 -1.881 -19.074 -7.524 1.00 64.30 N ATOM 0 H ARG A 87 -7.969 -18.771 -2.848 1.00 53.51 H new ATOM 0 HA ARG A 87 -6.770 -20.429 -2.073 1.00 4.43 H new ATOM 0 HB2 ARG A 87 -4.376 -18.543 -1.828 1.00 42.42 H new ATOM 0 HB3 ARG A 87 -4.311 -20.277 -1.580 1.00 42.42 H new ATOM 0 HG2 ARG A 87 -4.785 -20.731 -3.902 1.00 75.02 H new ATOM 0 HG3 ARG A 87 -5.263 -19.073 -4.209 1.00 75.02 H new ATOM 0 HD2 ARG A 87 -2.862 -18.372 -3.685 1.00 63.30 H new ATOM 0 HD3 ARG A 87 -2.442 -20.072 -3.611 1.00 63.30 H new ATOM 0 HE ARG A 87 -3.793 -19.646 -6.075 1.00 71.44 H new ATOM 0 HH11 ARG A 87 -0.721 -18.739 -4.546 1.00 62.31 H new ATOM 0 HH12 ARG A 87 0.105 -18.549 -6.096 1.00 62.31 H new ATOM 0 HH21 ARG A 87 -2.748 -19.282 -8.020 1.00 64.30 H new ATOM 0 HH22 ARG A 87 -1.034 -18.853 -8.048 1.00 64.30 H new ATOM 1423 N SER A 88 -5.957 -18.335 0.383 1.00 4.53 N ATOM 1424 CA SER A 88 -5.703 -18.194 1.825 1.00 54.05 C ATOM 1425 C SER A 88 -4.899 -19.402 2.359 1.00 1.54 C ATOM 1426 O SER A 88 -5.483 -20.408 2.801 1.00 24.24 O ATOM 1427 CB SER A 88 -6.992 -17.896 2.669 1.00 14.33 C ATOM 1428 OG SER A 88 -7.994 -18.899 2.565 1.00 22.43 O ATOM 0 H SER A 88 -5.687 -17.507 -0.149 1.00 4.53 H new ATOM 0 HA SER A 88 -5.088 -17.303 1.951 1.00 54.05 H new ATOM 0 HB2 SER A 88 -6.711 -17.785 3.716 1.00 14.33 H new ATOM 0 HB3 SER A 88 -7.412 -16.942 2.348 1.00 14.33 H new ATOM 0 HG SER A 88 -7.764 -19.517 1.840 1.00 22.43 H new ATOM 1434 N GLU A 89 -3.543 -19.316 2.224 1.00 4.42 N ATOM 1435 CA GLU A 89 -2.594 -20.305 2.797 1.00 54.42 C ATOM 1436 C GLU A 89 -2.950 -20.537 4.278 1.00 33.22 C ATOM 1437 O GLU A 89 -3.076 -21.686 4.725 1.00 45.34 O ATOM 1438 CB GLU A 89 -1.126 -19.810 2.609 1.00 15.31 C ATOM 1439 CG GLU A 89 -0.031 -20.723 3.212 1.00 2.43 C ATOM 1440 CD GLU A 89 1.413 -20.280 2.853 1.00 51.24 C ATOM 1441 OE1 GLU A 89 1.856 -19.204 3.315 1.00 62.53 O ATOM 1442 OE2 GLU A 89 2.112 -21.012 2.116 1.00 44.33 O ATOM 0 H GLU A 89 -3.084 -18.560 1.716 1.00 4.42 H new ATOM 0 HA GLU A 89 -2.675 -21.259 2.276 1.00 54.42 H new ATOM 0 HB2 GLU A 89 -0.933 -19.697 1.542 1.00 15.31 H new ATOM 0 HB3 GLU A 89 -1.035 -18.820 3.056 1.00 15.31 H new ATOM 0 HG2 GLU A 89 -0.139 -20.738 4.297 1.00 2.43 H new ATOM 0 HG3 GLU A 89 -0.187 -21.743 2.862 1.00 2.43 H new ATOM 1449 N SER A 90 -3.122 -19.408 5.003 1.00 53.02 N ATOM 1450 CA SER A 90 -3.899 -19.341 6.251 1.00 31.12 C ATOM 1451 C SER A 90 -4.009 -17.877 6.722 1.00 71.11 C ATOM 1452 O SER A 90 -5.035 -17.220 6.514 1.00 3.55 O ATOM 1453 CB SER A 90 -3.317 -20.244 7.379 1.00 30.34 C ATOM 1454 OG SER A 90 -4.194 -20.323 8.489 1.00 4.30 O ATOM 0 H SER A 90 -2.719 -18.511 4.731 1.00 53.02 H new ATOM 0 HA SER A 90 -4.894 -19.730 6.033 1.00 31.12 H new ATOM 0 HB2 SER A 90 -3.134 -21.245 6.987 1.00 30.34 H new ATOM 0 HB3 SER A 90 -2.354 -19.848 7.703 1.00 30.34 H new ATOM 0 HG SER A 90 -3.799 -20.898 9.177 1.00 4.30 H new ATOM 1460 N LEU A 91 -2.914 -17.354 7.293 1.00 21.43 N ATOM 1461 CA LEU A 91 -2.903 -16.062 8.028 1.00 74.11 C ATOM 1462 C LEU A 91 -2.438 -14.900 7.122 1.00 2.34 C ATOM 1463 O LEU A 91 -2.408 -13.740 7.538 1.00 75.21 O ATOM 1464 CB LEU A 91 -1.958 -16.203 9.254 1.00 10.13 C ATOM 1465 CG LEU A 91 -2.195 -17.462 10.160 1.00 23.04 C ATOM 1466 CD1 LEU A 91 -1.130 -17.568 11.277 1.00 24.52 C ATOM 1467 CD2 LEU A 91 -3.636 -17.478 10.737 1.00 61.25 C ATOM 0 H LEU A 91 -2.002 -17.811 7.263 1.00 21.43 H new ATOM 0 HA LEU A 91 -3.916 -15.829 8.356 1.00 74.11 H new ATOM 0 HB2 LEU A 91 -0.929 -16.226 8.895 1.00 10.13 H new ATOM 0 HB3 LEU A 91 -2.060 -15.311 9.871 1.00 10.13 H new ATOM 0 HG LEU A 91 -2.087 -18.345 9.530 1.00 23.04 H new ATOM 0 HD11 LEU A 91 -1.326 -18.452 11.884 1.00 24.52 H new ATOM 0 HD12 LEU A 91 -0.140 -17.648 10.829 1.00 24.52 H new ATOM 0 HD13 LEU A 91 -1.173 -16.679 11.906 1.00 24.52 H new ATOM 0 HD21 LEU A 91 -3.769 -18.362 11.360 1.00 61.25 H new ATOM 0 HD22 LEU A 91 -3.797 -16.583 11.338 1.00 61.25 H new ATOM 0 HD23 LEU A 91 -4.355 -17.500 9.918 1.00 61.25 H new ATOM 1479 N GLU A 92 -2.105 -15.237 5.876 1.00 15.21 N ATOM 1480 CA GLU A 92 -1.432 -14.340 4.921 1.00 70.34 C ATOM 1481 C GLU A 92 -2.398 -13.287 4.349 1.00 32.20 C ATOM 1482 O GLU A 92 -1.960 -12.209 3.936 1.00 64.42 O ATOM 1483 CB GLU A 92 -0.778 -15.193 3.793 1.00 42.23 C ATOM 1484 CG GLU A 92 0.435 -16.063 4.231 1.00 4.33 C ATOM 1485 CD GLU A 92 0.159 -16.992 5.429 1.00 42.41 C ATOM 1486 OE1 GLU A 92 -0.702 -17.880 5.313 1.00 53.13 O ATOM 1487 OE2 GLU A 92 0.763 -16.807 6.509 1.00 40.13 O ATOM 0 H GLU A 92 -2.298 -16.161 5.489 1.00 15.21 H new ATOM 0 HA GLU A 92 -0.653 -13.786 5.445 1.00 70.34 H new ATOM 0 HB2 GLU A 92 -1.539 -15.848 3.369 1.00 42.23 H new ATOM 0 HB3 GLU A 92 -0.454 -14.523 2.996 1.00 42.23 H new ATOM 0 HG2 GLU A 92 0.755 -16.670 3.384 1.00 4.33 H new ATOM 0 HG3 GLU A 92 1.266 -15.404 4.483 1.00 4.33 H new ATOM 1494 N VAL A 93 -3.716 -13.598 4.353 1.00 71.12 N ATOM 1495 CA VAL A 93 -4.752 -12.622 3.946 1.00 15.25 C ATOM 1496 C VAL A 93 -4.854 -11.487 4.978 1.00 71.35 C ATOM 1497 O VAL A 93 -5.210 -10.380 4.617 1.00 71.13 O ATOM 1498 CB VAL A 93 -6.170 -13.275 3.719 1.00 11.24 C ATOM 1499 CG1 VAL A 93 -6.102 -14.351 2.616 1.00 73.12 C ATOM 1500 CG2 VAL A 93 -6.763 -13.844 5.034 1.00 64.34 C ATOM 0 H VAL A 93 -4.083 -14.508 4.631 1.00 71.12 H new ATOM 0 HA VAL A 93 -4.434 -12.220 2.984 1.00 15.25 H new ATOM 0 HB VAL A 93 -6.847 -12.489 3.385 1.00 11.24 H new ATOM 0 HG11 VAL A 93 -7.090 -14.790 2.474 1.00 73.12 H new ATOM 0 HG12 VAL A 93 -5.770 -13.895 1.683 1.00 73.12 H new ATOM 0 HG13 VAL A 93 -5.398 -15.130 2.910 1.00 73.12 H new ATOM 0 HG21 VAL A 93 -7.740 -14.284 4.832 1.00 64.34 H new ATOM 0 HG22 VAL A 93 -6.096 -14.608 5.433 1.00 64.34 H new ATOM 0 HG23 VAL A 93 -6.871 -13.040 5.762 1.00 64.34 H new ATOM 1510 N ALA A 94 -4.524 -11.782 6.258 1.00 44.40 N ATOM 1511 CA ALA A 94 -4.516 -10.772 7.349 1.00 73.30 C ATOM 1512 C ALA A 94 -3.445 -9.705 7.101 1.00 11.35 C ATOM 1513 O ALA A 94 -3.690 -8.507 7.316 1.00 62.35 O ATOM 1514 CB ALA A 94 -4.299 -11.445 8.715 1.00 12.41 C ATOM 0 H ALA A 94 -4.258 -12.718 6.564 1.00 44.40 H new ATOM 0 HA ALA A 94 -5.489 -10.282 7.358 1.00 73.30 H new ATOM 0 HB1 ALA A 94 -4.297 -10.687 9.498 1.00 12.41 H new ATOM 0 HB2 ALA A 94 -5.103 -12.157 8.902 1.00 12.41 H new ATOM 0 HB3 ALA A 94 -3.343 -11.969 8.715 1.00 12.41 H new ATOM 1520 N PHE A 95 -2.263 -10.163 6.648 1.00 42.14 N ATOM 1521 CA PHE A 95 -1.159 -9.277 6.263 1.00 51.23 C ATOM 1522 C PHE A 95 -1.617 -8.331 5.137 1.00 32.33 C ATOM 1523 O PHE A 95 -1.491 -7.116 5.255 1.00 22.11 O ATOM 1524 CB PHE A 95 0.087 -10.103 5.824 1.00 41.21 C ATOM 1525 CG PHE A 95 1.267 -9.228 5.371 1.00 34.43 C ATOM 1526 CD1 PHE A 95 2.120 -8.634 6.304 1.00 40.10 C ATOM 1527 CD2 PHE A 95 1.491 -8.966 4.016 1.00 13.24 C ATOM 1528 CE1 PHE A 95 3.150 -7.805 5.894 1.00 32.14 C ATOM 1529 CE2 PHE A 95 2.523 -8.146 3.610 1.00 63.21 C ATOM 1530 CZ PHE A 95 3.354 -7.564 4.547 1.00 30.25 C ATOM 0 H PHE A 95 -2.051 -11.155 6.540 1.00 42.14 H new ATOM 0 HA PHE A 95 -0.871 -8.678 7.127 1.00 51.23 H new ATOM 0 HB2 PHE A 95 0.408 -10.732 6.654 1.00 41.21 H new ATOM 0 HB3 PHE A 95 -0.196 -10.770 5.009 1.00 41.21 H new ATOM 0 HD1 PHE A 95 1.974 -8.824 7.357 1.00 40.10 H new ATOM 0 HD2 PHE A 95 0.845 -9.413 3.275 1.00 13.24 H new ATOM 0 HE1 PHE A 95 3.796 -7.345 6.627 1.00 32.14 H new ATOM 0 HE2 PHE A 95 2.681 -7.959 2.558 1.00 63.21 H new ATOM 0 HZ PHE A 95 4.162 -6.922 4.229 1.00 30.25 H new ATOM 1540 N VAL A 96 -2.182 -8.905 4.065 1.00 21.43 N ATOM 1541 CA VAL A 96 -2.572 -8.133 2.868 1.00 53.20 C ATOM 1542 C VAL A 96 -3.757 -7.193 3.167 1.00 60.55 C ATOM 1543 O VAL A 96 -3.780 -6.067 2.683 1.00 12.34 O ATOM 1544 CB VAL A 96 -2.897 -9.071 1.654 1.00 1.23 C ATOM 1545 CG1 VAL A 96 -3.339 -8.254 0.406 1.00 65.04 C ATOM 1546 CG2 VAL A 96 -1.678 -9.982 1.335 1.00 3.32 C ATOM 0 H VAL A 96 -2.381 -9.903 3.999 1.00 21.43 H new ATOM 0 HA VAL A 96 -1.716 -7.518 2.591 1.00 53.20 H new ATOM 0 HB VAL A 96 -3.736 -9.709 1.931 1.00 1.23 H new ATOM 0 HG11 VAL A 96 -3.556 -8.935 -0.417 1.00 65.04 H new ATOM 0 HG12 VAL A 96 -4.233 -7.678 0.646 1.00 65.04 H new ATOM 0 HG13 VAL A 96 -2.538 -7.575 0.113 1.00 65.04 H new ATOM 0 HG21 VAL A 96 -1.918 -10.628 0.490 1.00 3.32 H new ATOM 0 HG22 VAL A 96 -0.816 -9.363 1.085 1.00 3.32 H new ATOM 0 HG23 VAL A 96 -1.444 -10.595 2.205 1.00 3.32 H new ATOM 1556 N THR A 97 -4.718 -7.652 3.988 1.00 2.51 N ATOM 1557 CA THR A 97 -5.883 -6.837 4.386 1.00 44.44 C ATOM 1558 C THR A 97 -5.418 -5.625 5.202 1.00 32.24 C ATOM 1559 O THR A 97 -5.858 -4.500 4.940 1.00 24.41 O ATOM 1560 CB THR A 97 -6.939 -7.682 5.183 1.00 14.14 C ATOM 1561 OG1 THR A 97 -7.428 -8.741 4.345 1.00 4.33 O ATOM 1562 CG2 THR A 97 -8.137 -6.844 5.676 1.00 74.22 C ATOM 0 H THR A 97 -4.711 -8.589 4.392 1.00 2.51 H new ATOM 0 HA THR A 97 -6.376 -6.484 3.480 1.00 44.44 H new ATOM 0 HB THR A 97 -6.432 -8.075 6.064 1.00 14.14 H new ATOM 0 HG1 THR A 97 -6.762 -9.458 4.302 1.00 4.33 H new ATOM 0 HG21 THR A 97 -8.831 -7.486 6.219 1.00 74.22 H new ATOM 0 HG22 THR A 97 -7.781 -6.053 6.336 1.00 74.22 H new ATOM 0 HG23 THR A 97 -8.647 -6.400 4.821 1.00 74.22 H new ATOM 1570 N GLN A 98 -4.484 -5.867 6.150 1.00 34.10 N ATOM 1571 CA GLN A 98 -3.841 -4.796 6.931 1.00 45.35 C ATOM 1572 C GLN A 98 -3.208 -3.763 5.985 1.00 20.31 C ATOM 1573 O GLN A 98 -3.611 -2.616 5.962 1.00 51.40 O ATOM 1574 CB GLN A 98 -2.741 -5.373 7.869 1.00 51.01 C ATOM 1575 CG GLN A 98 -1.902 -4.299 8.608 1.00 64.25 C ATOM 1576 CD GLN A 98 -0.699 -4.856 9.375 1.00 72.41 C ATOM 1577 OE1 GLN A 98 -0.717 -5.985 9.866 1.00 65.22 O ATOM 1578 NE2 GLN A 98 0.354 -4.060 9.482 1.00 73.24 N ATOM 0 H GLN A 98 -4.160 -6.804 6.391 1.00 34.10 H new ATOM 0 HA GLN A 98 -4.607 -4.318 7.541 1.00 45.35 H new ATOM 0 HB2 GLN A 98 -3.214 -6.020 8.608 1.00 51.01 H new ATOM 0 HB3 GLN A 98 -2.070 -5.999 7.280 1.00 51.01 H new ATOM 0 HG2 GLN A 98 -1.548 -3.568 7.881 1.00 64.25 H new ATOM 0 HG3 GLN A 98 -2.548 -3.767 9.306 1.00 64.25 H new ATOM 0 HE21 GLN A 98 0.335 -3.130 9.063 1.00 73.24 H new ATOM 0 HE22 GLN A 98 1.184 -4.377 9.983 1.00 73.24 H new ATOM 1587 N LEU A 99 -2.274 -4.240 5.158 1.00 4.43 N ATOM 1588 CA LEU A 99 -1.413 -3.403 4.295 1.00 43.30 C ATOM 1589 C LEU A 99 -2.235 -2.540 3.311 1.00 73.44 C ATOM 1590 O LEU A 99 -2.010 -1.327 3.204 1.00 32.43 O ATOM 1591 CB LEU A 99 -0.399 -4.321 3.550 1.00 33.04 C ATOM 1592 CG LEU A 99 0.925 -4.716 4.320 1.00 12.45 C ATOM 1593 CD1 LEU A 99 2.041 -3.683 4.102 1.00 12.52 C ATOM 1594 CD2 LEU A 99 0.711 -4.930 5.840 1.00 73.34 C ATOM 0 H LEU A 99 -2.086 -5.238 5.062 1.00 4.43 H new ATOM 0 HA LEU A 99 -0.867 -2.698 4.922 1.00 43.30 H new ATOM 0 HB2 LEU A 99 -0.916 -5.240 3.275 1.00 33.04 H new ATOM 0 HB3 LEU A 99 -0.114 -3.825 2.622 1.00 33.04 H new ATOM 0 HG LEU A 99 1.228 -5.671 3.891 1.00 12.45 H new ATOM 0 HD11 LEU A 99 2.933 -3.991 4.647 1.00 12.52 H new ATOM 0 HD12 LEU A 99 2.271 -3.615 3.039 1.00 12.52 H new ATOM 0 HD13 LEU A 99 1.712 -2.709 4.465 1.00 12.52 H new ATOM 0 HD21 LEU A 99 1.659 -5.198 6.307 1.00 73.34 H new ATOM 0 HD22 LEU A 99 0.334 -4.010 6.287 1.00 73.34 H new ATOM 0 HD23 LEU A 99 -0.010 -5.732 5.997 1.00 73.34 H new ATOM 1606 N VAL A 100 -3.203 -3.179 2.634 1.00 65.11 N ATOM 1607 CA VAL A 100 -4.124 -2.512 1.689 1.00 71.22 C ATOM 1608 C VAL A 100 -4.978 -1.451 2.409 1.00 4.30 C ATOM 1609 O VAL A 100 -5.019 -0.288 1.986 1.00 3.23 O ATOM 1610 CB VAL A 100 -5.055 -3.572 0.969 1.00 42.50 C ATOM 1611 CG1 VAL A 100 -6.291 -2.931 0.268 1.00 51.45 C ATOM 1612 CG2 VAL A 100 -4.237 -4.433 -0.029 1.00 24.11 C ATOM 0 H VAL A 100 -3.373 -4.181 2.725 1.00 65.11 H new ATOM 0 HA VAL A 100 -3.521 -2.011 0.932 1.00 71.22 H new ATOM 0 HB VAL A 100 -5.451 -4.217 1.753 1.00 42.50 H new ATOM 0 HG11 VAL A 100 -6.886 -3.712 -0.205 1.00 51.45 H new ATOM 0 HG12 VAL A 100 -6.899 -2.409 1.007 1.00 51.45 H new ATOM 0 HG13 VAL A 100 -5.953 -2.223 -0.489 1.00 51.45 H new ATOM 0 HG21 VAL A 100 -4.896 -5.154 -0.512 1.00 24.11 H new ATOM 0 HG22 VAL A 100 -3.789 -3.787 -0.785 1.00 24.11 H new ATOM 0 HG23 VAL A 100 -3.450 -4.963 0.508 1.00 24.11 H new ATOM 1622 N LYS A 101 -5.629 -1.866 3.515 1.00 75.14 N ATOM 1623 CA LYS A 101 -6.592 -1.014 4.247 1.00 2.41 C ATOM 1624 C LYS A 101 -5.887 0.171 4.921 1.00 53.11 C ATOM 1625 O LYS A 101 -6.428 1.275 4.964 1.00 1.52 O ATOM 1626 CB LYS A 101 -7.376 -1.861 5.283 1.00 4.22 C ATOM 1627 CG LYS A 101 -8.620 -1.173 5.893 1.00 14.22 C ATOM 1628 CD LYS A 101 -9.546 -2.172 6.638 1.00 44.21 C ATOM 1629 CE LYS A 101 -10.063 -3.308 5.722 1.00 13.11 C ATOM 1630 NZ LYS A 101 -11.073 -4.163 6.414 1.00 51.31 N ATOM 0 H LYS A 101 -5.505 -2.792 3.924 1.00 75.14 H new ATOM 0 HA LYS A 101 -7.301 -0.604 3.529 1.00 2.41 H new ATOM 0 HB2 LYS A 101 -7.692 -2.788 4.805 1.00 4.22 H new ATOM 0 HB3 LYS A 101 -6.699 -2.134 6.092 1.00 4.22 H new ATOM 0 HG2 LYS A 101 -8.298 -0.395 6.585 1.00 14.22 H new ATOM 0 HG3 LYS A 101 -9.184 -0.681 5.101 1.00 14.22 H new ATOM 0 HD2 LYS A 101 -9.003 -2.607 7.477 1.00 44.21 H new ATOM 0 HD3 LYS A 101 -10.396 -1.631 7.054 1.00 44.21 H new ATOM 0 HE2 LYS A 101 -10.506 -2.877 4.824 1.00 13.11 H new ATOM 0 HE3 LYS A 101 -9.224 -3.925 5.400 1.00 13.11 H new ATOM 0 HZ1 LYS A 101 -11.395 -4.912 5.768 1.00 51.31 H new ATOM 0 HZ2 LYS A 101 -10.643 -4.594 7.257 1.00 51.31 H new ATOM 0 HZ3 LYS A 101 -11.885 -3.579 6.699 1.00 51.31 H new ATOM 1644 N LYS A 102 -4.662 -0.063 5.409 1.00 74.43 N ATOM 1645 CA LYS A 102 -3.864 0.969 6.086 1.00 70.30 C ATOM 1646 C LYS A 102 -3.343 1.975 5.068 1.00 11.43 C ATOM 1647 O LYS A 102 -3.487 3.165 5.286 1.00 42.12 O ATOM 1648 CB LYS A 102 -2.687 0.371 6.906 1.00 33.13 C ATOM 1649 CG LYS A 102 -3.111 -0.469 8.133 1.00 53.21 C ATOM 1650 CD LYS A 102 -3.876 0.362 9.184 1.00 5.12 C ATOM 1651 CE LYS A 102 -4.310 -0.477 10.397 1.00 75.43 C ATOM 1652 NZ LYS A 102 -5.018 0.343 11.416 1.00 11.32 N ATOM 0 H LYS A 102 -4.197 -0.969 5.346 1.00 74.43 H new ATOM 0 HA LYS A 102 -4.521 1.472 6.796 1.00 70.30 H new ATOM 0 HB2 LYS A 102 -2.084 -0.254 6.247 1.00 33.13 H new ATOM 0 HB3 LYS A 102 -2.048 1.186 7.245 1.00 33.13 H new ATOM 0 HG2 LYS A 102 -3.738 -1.297 7.803 1.00 53.21 H new ATOM 0 HG3 LYS A 102 -2.225 -0.905 8.594 1.00 53.21 H new ATOM 0 HD2 LYS A 102 -3.245 1.184 9.522 1.00 5.12 H new ATOM 0 HD3 LYS A 102 -4.757 0.806 8.720 1.00 5.12 H new ATOM 0 HE2 LYS A 102 -4.962 -1.285 10.065 1.00 75.43 H new ATOM 0 HE3 LYS A 102 -3.433 -0.941 10.850 1.00 75.43 H new ATOM 0 HZ1 LYS A 102 -5.293 -0.260 12.217 1.00 11.32 H new ATOM 0 HZ2 LYS A 102 -4.388 1.099 11.753 1.00 11.32 H new ATOM 0 HZ3 LYS A 102 -5.869 0.765 10.992 1.00 11.32 H new ATOM 1666 N LEU A 103 -2.758 1.486 3.950 1.00 60.35 N ATOM 1667 CA LEU A 103 -2.240 2.369 2.875 1.00 2.50 C ATOM 1668 C LEU A 103 -3.387 3.184 2.232 1.00 52.35 C ATOM 1669 O LEU A 103 -3.183 4.324 1.791 1.00 75.11 O ATOM 1670 CB LEU A 103 -1.439 1.553 1.820 1.00 1.54 C ATOM 1671 CG LEU A 103 -0.685 2.388 0.726 1.00 32.14 C ATOM 1672 CD1 LEU A 103 0.278 3.423 1.368 1.00 71.45 C ATOM 1673 CD2 LEU A 103 0.066 1.468 -0.277 1.00 0.41 C ATOM 0 H LEU A 103 -2.633 0.490 3.768 1.00 60.35 H new ATOM 0 HA LEU A 103 -1.547 3.083 3.320 1.00 2.50 H new ATOM 0 HB2 LEU A 103 -0.709 0.937 2.345 1.00 1.54 H new ATOM 0 HB3 LEU A 103 -2.127 0.873 1.318 1.00 1.54 H new ATOM 0 HG LEU A 103 -1.438 2.941 0.164 1.00 32.14 H new ATOM 0 HD11 LEU A 103 0.784 3.985 0.583 1.00 71.45 H new ATOM 0 HD12 LEU A 103 -0.291 4.109 1.996 1.00 71.45 H new ATOM 0 HD13 LEU A 103 1.018 2.903 1.977 1.00 71.45 H new ATOM 0 HD21 LEU A 103 0.577 2.080 -1.020 1.00 0.41 H new ATOM 0 HD22 LEU A 103 0.797 0.864 0.260 1.00 0.41 H new ATOM 0 HD23 LEU A 103 -0.649 0.813 -0.775 1.00 0.41 H new ATOM 1685 N LEU A 104 -4.594 2.588 2.233 1.00 75.11 N ATOM 1686 CA LEU A 104 -5.844 3.269 1.851 1.00 32.50 C ATOM 1687 C LEU A 104 -6.121 4.432 2.830 1.00 14.33 C ATOM 1688 O LEU A 104 -6.260 5.577 2.416 1.00 44.12 O ATOM 1689 CB LEU A 104 -7.026 2.245 1.829 1.00 61.15 C ATOM 1690 CG LEU A 104 -8.472 2.824 1.672 1.00 11.04 C ATOM 1691 CD1 LEU A 104 -8.636 3.608 0.351 1.00 52.34 C ATOM 1692 CD2 LEU A 104 -9.535 1.699 1.811 1.00 3.22 C ATOM 0 H LEU A 104 -4.729 1.613 2.501 1.00 75.11 H new ATOM 0 HA LEU A 104 -5.745 3.685 0.848 1.00 32.50 H new ATOM 0 HB2 LEU A 104 -6.852 1.546 1.011 1.00 61.15 H new ATOM 0 HB3 LEU A 104 -6.991 1.669 2.754 1.00 61.15 H new ATOM 0 HG LEU A 104 -8.634 3.537 2.481 1.00 11.04 H new ATOM 0 HD11 LEU A 104 -9.653 3.993 0.280 1.00 52.34 H new ATOM 0 HD12 LEU A 104 -7.931 4.439 0.331 1.00 52.34 H new ATOM 0 HD13 LEU A 104 -8.440 2.946 -0.492 1.00 52.34 H new ATOM 0 HD21 LEU A 104 -10.532 2.125 1.698 1.00 3.22 H new ATOM 0 HD22 LEU A 104 -9.372 0.947 1.039 1.00 3.22 H new ATOM 0 HD23 LEU A 104 -9.447 1.235 2.793 1.00 3.22 H new ATOM 1704 N ILE A 105 -6.147 4.108 4.134 1.00 32.34 N ATOM 1705 CA ILE A 105 -6.407 5.077 5.230 1.00 24.04 C ATOM 1706 C ILE A 105 -5.280 6.156 5.341 1.00 42.14 C ATOM 1707 O ILE A 105 -5.532 7.272 5.809 1.00 63.14 O ATOM 1708 CB ILE A 105 -6.633 4.283 6.588 1.00 41.14 C ATOM 1709 CG1 ILE A 105 -7.990 3.486 6.531 1.00 32.42 C ATOM 1710 CG2 ILE A 105 -6.580 5.198 7.839 1.00 72.22 C ATOM 1711 CD1 ILE A 105 -8.252 2.566 7.714 1.00 31.31 C ATOM 0 H ILE A 105 -5.987 3.157 4.468 1.00 32.34 H new ATOM 0 HA ILE A 105 -7.316 5.634 5.003 1.00 24.04 H new ATOM 0 HB ILE A 105 -5.807 3.579 6.689 1.00 41.14 H new ATOM 0 HG12 ILE A 105 -8.810 4.201 6.459 1.00 32.42 H new ATOM 0 HG13 ILE A 105 -8.005 2.891 5.618 1.00 32.42 H new ATOM 0 HG21 ILE A 105 -6.741 4.599 8.735 1.00 72.22 H new ATOM 0 HG22 ILE A 105 -5.604 5.681 7.896 1.00 72.22 H new ATOM 0 HG23 ILE A 105 -7.357 5.959 7.767 1.00 72.22 H new ATOM 0 HD11 ILE A 105 -9.210 2.064 7.579 1.00 31.31 H new ATOM 0 HD12 ILE A 105 -7.458 1.822 7.779 1.00 31.31 H new ATOM 0 HD13 ILE A 105 -8.276 3.152 8.633 1.00 31.31 H new ATOM 1723 N ILE A 106 -4.058 5.829 4.863 1.00 43.54 N ATOM 1724 CA ILE A 106 -2.904 6.762 4.824 1.00 44.42 C ATOM 1725 C ILE A 106 -3.181 7.906 3.842 1.00 63.33 C ATOM 1726 O ILE A 106 -3.171 9.085 4.227 1.00 43.22 O ATOM 1727 CB ILE A 106 -1.573 6.008 4.433 1.00 71.02 C ATOM 1728 CG1 ILE A 106 -1.110 5.078 5.591 1.00 34.22 C ATOM 1729 CG2 ILE A 106 -0.425 6.967 4.017 1.00 62.12 C ATOM 1730 CD1 ILE A 106 0.040 4.169 5.224 1.00 2.32 C ATOM 0 H ILE A 106 -3.841 4.905 4.490 1.00 43.54 H new ATOM 0 HA ILE A 106 -2.771 7.179 5.822 1.00 44.42 H new ATOM 0 HB ILE A 106 -1.808 5.405 3.556 1.00 71.02 H new ATOM 0 HG12 ILE A 106 -0.817 5.692 6.442 1.00 34.22 H new ATOM 0 HG13 ILE A 106 -1.954 4.468 5.913 1.00 34.22 H new ATOM 0 HG21 ILE A 106 0.460 6.385 3.761 1.00 62.12 H new ATOM 0 HG22 ILE A 106 -0.736 7.554 3.153 1.00 62.12 H new ATOM 0 HG23 ILE A 106 -0.192 7.636 4.845 1.00 62.12 H new ATOM 0 HD11 ILE A 106 0.305 3.552 6.083 1.00 2.32 H new ATOM 0 HD12 ILE A 106 -0.254 3.527 4.393 1.00 2.32 H new ATOM 0 HD13 ILE A 106 0.900 4.771 4.931 1.00 2.32 H new ATOM 1742 N ILE A 107 -3.475 7.521 2.584 1.00 61.34 N ATOM 1743 CA ILE A 107 -3.754 8.475 1.493 1.00 75.31 C ATOM 1744 C ILE A 107 -5.180 9.052 1.616 1.00 62.42 C ATOM 1745 O ILE A 107 -5.572 9.928 0.838 1.00 72.32 O ATOM 1746 CB ILE A 107 -3.478 7.815 0.070 1.00 0.34 C ATOM 1747 CG1 ILE A 107 -4.386 6.554 -0.241 1.00 42.11 C ATOM 1748 CG2 ILE A 107 -1.975 7.442 -0.041 1.00 74.11 C ATOM 1749 CD1 ILE A 107 -5.752 6.839 -0.863 1.00 4.32 C ATOM 0 H ILE A 107 -3.526 6.544 2.297 1.00 61.34 H new ATOM 0 HA ILE A 107 -3.066 9.316 1.584 1.00 75.31 H new ATOM 0 HB ILE A 107 -3.744 8.560 -0.680 1.00 0.34 H new ATOM 0 HG12 ILE A 107 -3.836 5.894 -0.912 1.00 42.11 H new ATOM 0 HG13 ILE A 107 -4.541 6.007 0.689 1.00 42.11 H new ATOM 0 HG21 ILE A 107 -1.783 6.990 -1.014 1.00 74.11 H new ATOM 0 HG22 ILE A 107 -1.368 8.341 0.068 1.00 74.11 H new ATOM 0 HG23 ILE A 107 -1.717 6.733 0.746 1.00 74.11 H new ATOM 0 HD11 ILE A 107 -6.279 5.900 -1.029 1.00 4.32 H new ATOM 0 HD12 ILE A 107 -6.334 7.468 -0.190 1.00 4.32 H new ATOM 0 HD13 ILE A 107 -5.618 7.353 -1.815 1.00 4.32 H new ATOM 1761 N SER A 108 -5.956 8.531 2.594 1.00 12.13 N ATOM 1762 CA SER A 108 -7.274 9.066 2.964 1.00 11.33 C ATOM 1763 C SER A 108 -7.200 9.920 4.248 1.00 5.12 C ATOM 1764 O SER A 108 -6.159 10.016 4.919 1.00 0.04 O ATOM 1765 CB SER A 108 -8.286 7.912 3.153 1.00 70.31 C ATOM 1766 OG SER A 108 -8.481 7.191 1.944 1.00 14.55 O ATOM 0 H SER A 108 -5.677 7.722 3.149 1.00 12.13 H new ATOM 0 HA SER A 108 -7.610 9.710 2.152 1.00 11.33 H new ATOM 0 HB2 SER A 108 -7.928 7.235 3.929 1.00 70.31 H new ATOM 0 HB3 SER A 108 -9.239 8.314 3.496 1.00 70.31 H new ATOM 0 HG SER A 108 -7.783 6.509 1.853 1.00 14.55 H new ATOM 1772 N ARG A 109 -8.343 10.531 4.552 1.00 74.42 N ATOM 1773 CA ARG A 109 -8.570 11.370 5.736 1.00 20.50 C ATOM 1774 C ARG A 109 -8.723 10.517 7.026 1.00 71.42 C ATOM 1775 O ARG A 109 -9.025 9.317 6.952 1.00 55.31 O ATOM 1776 CB ARG A 109 -9.882 12.159 5.483 1.00 60.53 C ATOM 1777 CG ARG A 109 -11.103 11.224 5.269 1.00 14.32 C ATOM 1778 CD ARG A 109 -12.352 11.901 4.697 1.00 41.00 C ATOM 1779 NE ARG A 109 -13.377 10.887 4.365 1.00 62.52 N ATOM 1780 CZ ARG A 109 -14.561 11.114 3.775 1.00 31.41 C ATOM 1781 NH1 ARG A 109 -14.927 12.346 3.422 1.00 73.02 N ATOM 1782 NH2 ARG A 109 -15.372 10.086 3.531 1.00 44.51 N ATOM 0 H ARG A 109 -9.171 10.455 3.961 1.00 74.42 H new ATOM 0 HA ARG A 109 -7.717 12.031 5.886 1.00 20.50 H new ATOM 0 HB2 ARG A 109 -10.076 12.817 6.330 1.00 60.53 H new ATOM 0 HB3 ARG A 109 -9.757 12.795 4.607 1.00 60.53 H new ATOM 0 HG2 ARG A 109 -10.808 10.416 4.599 1.00 14.32 H new ATOM 0 HG3 ARG A 109 -11.362 10.767 6.224 1.00 14.32 H new ATOM 0 HD2 ARG A 109 -12.753 12.611 5.420 1.00 41.00 H new ATOM 0 HD3 ARG A 109 -12.090 12.469 3.805 1.00 41.00 H new ATOM 0 HE ARG A 109 -13.163 9.920 4.609 1.00 62.52 H new ATOM 0 HH11 ARG A 109 -14.304 13.134 3.599 1.00 73.02 H new ATOM 0 HH12 ARG A 109 -15.830 12.501 2.974 1.00 73.02 H new ATOM 0 HH21 ARG A 109 -15.090 9.141 3.792 1.00 44.51 H new ATOM 0 HH22 ARG A 109 -16.275 10.244 3.083 1.00 44.51 H new ATOM 1796 N PRO A 110 -8.483 11.121 8.230 1.00 41.41 N ATOM 1797 CA PRO A 110 -8.985 10.597 9.510 1.00 35.45 C ATOM 1798 C PRO A 110 -10.276 11.339 9.958 1.00 24.21 C ATOM 1799 O PRO A 110 -10.676 11.234 11.125 1.00 64.13 O ATOM 1800 CB PRO A 110 -7.785 10.882 10.456 1.00 70.11 C ATOM 1801 CG PRO A 110 -7.064 12.081 9.869 1.00 11.11 C ATOM 1802 CD PRO A 110 -7.641 12.321 8.474 1.00 0.10 C ATOM 0 HA PRO A 110 -9.277 9.547 9.482 1.00 35.45 H new ATOM 0 HB2 PRO A 110 -8.128 11.091 11.469 1.00 70.11 H new ATOM 0 HB3 PRO A 110 -7.122 10.019 10.516 1.00 70.11 H new ATOM 0 HG2 PRO A 110 -7.204 12.960 10.499 1.00 11.11 H new ATOM 0 HG3 PRO A 110 -5.991 11.895 9.814 1.00 11.11 H new ATOM 0 HD2 PRO A 110 -8.230 13.238 8.436 1.00 0.10 H new ATOM 0 HD3 PRO A 110 -6.854 12.417 7.726 1.00 0.10 H new ATOM 1810 N ALA A 111 -10.903 12.080 8.991 1.00 43.13 N ATOM 1811 CA ALA A 111 -12.092 12.950 9.201 1.00 22.14 C ATOM 1812 C ALA A 111 -11.758 14.183 10.074 1.00 74.13 C ATOM 1813 O ALA A 111 -11.260 14.049 11.197 1.00 2.25 O ATOM 1814 CB ALA A 111 -13.280 12.162 9.786 1.00 3.43 C ATOM 0 H ALA A 111 -10.582 12.084 8.023 1.00 43.13 H new ATOM 0 HA ALA A 111 -12.390 13.316 8.219 1.00 22.14 H new ATOM 0 HB1 ALA A 111 -14.128 12.832 9.925 1.00 3.43 H new ATOM 0 HB2 ALA A 111 -13.558 11.361 9.101 1.00 3.43 H new ATOM 0 HB3 ALA A 111 -12.995 11.734 10.747 1.00 3.43 H new ATOM 1820 N ARG A 112 -12.036 15.386 9.545 1.00 23.42 N ATOM 1821 CA ARG A 112 -11.801 16.671 10.247 1.00 45.20 C ATOM 1822 C ARG A 112 -13.094 17.531 10.179 1.00 13.21 C ATOM 1823 O ARG A 112 -13.245 18.345 9.240 1.00 44.04 O ATOM 1824 CB ARG A 112 -10.560 17.403 9.633 1.00 14.42 C ATOM 1825 CG ARG A 112 -9.198 16.701 9.887 1.00 22.24 C ATOM 1826 CD ARG A 112 -8.737 16.796 11.358 1.00 73.23 C ATOM 1827 NE ARG A 112 -8.536 18.198 11.773 1.00 35.31 N ATOM 1828 CZ ARG A 112 -8.256 18.626 13.017 1.00 23.21 C ATOM 1829 NH1 ARG A 112 -8.142 17.783 14.041 1.00 71.15 N ATOM 1830 NH2 ARG A 112 -8.101 19.923 13.222 1.00 52.10 N ATOM 1831 OXT ARG A 112 -13.982 17.344 11.045 1.00 37.52 O ATOM 0 H ARG A 112 -12.433 15.501 8.612 1.00 23.42 H new ATOM 0 HA ARG A 112 -11.572 16.493 11.298 1.00 45.20 H new ATOM 0 HB2 ARG A 112 -10.708 17.499 8.557 1.00 14.42 H new ATOM 0 HB3 ARG A 112 -10.514 18.413 10.040 1.00 14.42 H new ATOM 0 HG2 ARG A 112 -9.278 15.651 9.604 1.00 22.24 H new ATOM 0 HG3 ARG A 112 -8.439 17.148 9.244 1.00 22.24 H new ATOM 0 HD2 ARG A 112 -9.479 16.327 12.004 1.00 73.23 H new ATOM 0 HD3 ARG A 112 -7.808 16.241 11.486 1.00 73.23 H new ATOM 0 HE ARG A 112 -8.617 18.910 11.047 1.00 35.31 H new ATOM 0 HH11 ARG A 112 -8.268 16.782 13.894 1.00 71.15 H new ATOM 0 HH12 ARG A 112 -7.929 18.139 14.973 1.00 71.15 H new ATOM 0 HH21 ARG A 112 -8.194 20.577 12.445 1.00 52.10 H new ATOM 0 HH22 ARG A 112 -7.888 20.270 14.157 1.00 52.10 H new TER 1845 ARG A 112