USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1049 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 129 MET CE :methyl -166:sc= -0.0015 (180deg=-0.201) USER MOD Set 1.2: A 133 ASN : amide:sc= -0.985 K(o=-0.99,f=-0.22) USER MOD Set 2.1: A 104 MET CE :methyl 172:sc= -0.557 (180deg=-0.818) USER MOD Set 2.2: A 131 GLN : amide:sc= -0.0851 K(o=-0.64,f=-1.8) USER MOD Set 3.1: A 88 THR OG1 : rot 70:sc= 1.5 USER MOD Set 3.2: A 117 CYS SG : rot 83:sc= -4.97! USER MOD Set 4.1: A 67 GLN : amide:sc= -0.0809 X(o=-0.53,f=-0.82) USER MOD Set 4.2: A 97 MET CE :methyl -141:sc= -0.447 (180deg=-2.79!) USER MOD Set 5.1: A 39 TYR OH : rot 180:sc= 0.106 USER MOD Set 5.2: A 54 SER OG : rot -19:sc= -0.0062 USER MOD Set 5.3: A 55 ASN : amide:sc= 0.109 K(o=0.21,f=-1.6) USER MOD Set 6.1: A 26 CYS SG : rot 84:sc= 0.593 USER MOD Set 6.2: A 34 GLN : amide:sc= -0.722 K(o=0.018,f=-3.2!) USER MOD Set 6.3: A 38 HIS : no HE2:sc= 0.147 K(o=0.018,f=-7.8!) USER MOD Set 7.1: A 20 LYS NZ :NH3+ -162:sc= -1.06! (180deg=-1.87!) USER MOD Set 7.2: A 46 ASN : amide:sc= -3.87! C(o=-4.9!,f=-12!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0708 (180deg=-0.348) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00706 (180deg=-0.11) 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) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -48:sc= 0.207 USER MOD Single : A 10 HIS : no HD1:sc= -0.767 K(o=-0.77,f=0) USER MOD Single : A 11 MET CE :methyl -167:sc= -0.0493 (180deg=-0.324) USER MOD Single : A 12 ASN : amide:sc= -0.665 K(o=-0.66,f=-0.059) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.899 X(o=-0.9,f=-0.87) USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= 0.492 (180deg=0.0568) USER MOD Single : A 24 ASN : amide:sc= -0.746 K(o=-0.75,f=-2.2!) USER MOD Single : A 28 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.0033) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= -0.0904 (180deg=-1.14) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -158:sc= -0.266 (180deg=-0.959) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00943) USER MOD Single : A 40 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc=-0.00297 (180deg=-0.0509) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0548) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -170:sc= 0.0193 USER MOD Single : A 59 CYS SG : rot -46:sc= 1.22 USER MOD Single : A 60 TYR OH : rot 55:sc= 1.57 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -17:sc= -1.19! USER MOD Single : A 76 CYS SG : rot 55:sc= -3.96! USER MOD Single : A 78 GLN : amide:sc= -1.32! K(o=-1.3!,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0.376 (180deg=0.365) USER MOD Single : A 87 TYR OH : rot 39:sc= 0.101 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc=-0.000997 (180deg=-0.135) USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 100 TYR OH : rot 30:sc=-0.000527 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0016 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.074) USER MOD Single : A 109 LYS NZ :NH3+ 145:sc= 0.892 (180deg=0.16) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 160:sc= -0.409 (180deg=-1.12) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.25) USER MOD Single : A 127 CYS SG : rot 180:sc= -1.91 USER MOD Single : A 128 MET CE :methyl -159:sc= -0.0816 (180deg=-0.512) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.052 6.979 8.479 1.00 11.43 N ATOM 2 CA MET A 1 28.407 7.892 7.362 1.00 42.15 C ATOM 3 C MET A 1 27.246 7.994 6.349 1.00 72.45 C ATOM 4 O MET A 1 26.979 9.079 5.811 1.00 51.13 O ATOM 5 CB MET A 1 29.710 7.409 6.660 1.00 35.13 C ATOM 6 CG MET A 1 30.167 8.278 5.476 1.00 32.23 C ATOM 7 SD MET A 1 31.730 7.732 4.750 1.00 51.11 S ATOM 8 CE MET A 1 31.337 6.070 4.203 1.00 31.54 C ATOM 0 H1 MET A 1 28.768 7.054 9.229 1.00 11.43 H new ATOM 0 H2 MET A 1 27.121 7.243 8.861 1.00 11.43 H new ATOM 0 H3 MET A 1 28.017 6.000 8.130 1.00 11.43 H new ATOM 0 HA MET A 1 28.585 8.886 7.773 1.00 42.15 H new ATOM 0 HB2 MET A 1 30.512 7.375 7.398 1.00 35.13 H new ATOM 0 HB3 MET A 1 29.558 6.389 6.306 1.00 35.13 H new ATOM 0 HG2 MET A 1 29.394 8.268 4.707 1.00 32.23 H new ATOM 0 HG3 MET A 1 30.271 9.310 5.810 1.00 32.23 H new ATOM 0 HE1 MET A 1 32.116 5.715 3.528 1.00 31.54 H new ATOM 0 HE2 MET A 1 31.276 5.408 5.066 1.00 31.54 H new ATOM 0 HE3 MET A 1 30.380 6.075 3.682 1.00 31.54 H new ATOM 20 N GLY A 2 26.551 6.861 6.108 1.00 62.32 N ATOM 21 CA GLY A 2 25.533 6.754 5.055 1.00 43.13 C ATOM 22 C GLY A 2 24.226 7.465 5.392 1.00 42.12 C ATOM 23 O GLY A 2 23.249 6.824 5.785 1.00 51.13 O ATOM 0 H GLY A 2 26.684 6.001 6.639 1.00 62.32 H new ATOM 0 HA2 GLY A 2 25.934 7.169 4.130 1.00 43.13 H new ATOM 0 HA3 GLY A 2 25.326 5.700 4.868 1.00 43.13 H new ATOM 27 N HIS A 3 24.215 8.797 5.241 1.00 55.31 N ATOM 28 CA HIS A 3 23.039 9.636 5.526 1.00 61.44 C ATOM 29 C HIS A 3 22.281 9.956 4.231 1.00 51.42 C ATOM 30 O HIS A 3 22.793 10.664 3.357 1.00 35.21 O ATOM 31 CB HIS A 3 23.472 10.940 6.245 1.00 21.04 C ATOM 32 CG HIS A 3 23.932 10.725 7.665 1.00 23.22 C ATOM 33 ND1 HIS A 3 25.250 10.825 8.070 1.00 10.40 N ATOM 34 CD2 HIS A 3 23.225 10.439 8.784 1.00 62.03 C ATOM 35 CE1 HIS A 3 25.325 10.620 9.373 1.00 55.24 C ATOM 36 NE2 HIS A 3 24.111 10.383 9.823 1.00 62.12 N ATOM 0 H HIS A 3 25.024 9.326 4.916 1.00 55.31 H new ATOM 0 HA HIS A 3 22.368 9.085 6.185 1.00 61.44 H new ATOM 0 HB2 HIS A 3 24.278 11.407 5.678 1.00 21.04 H new ATOM 0 HB3 HIS A 3 22.636 11.639 6.245 1.00 21.04 H new ATOM 0 HD2 HIS A 3 22.158 10.284 8.844 1.00 62.03 H new ATOM 0 HE1 HIS A 3 26.227 10.643 9.967 1.00 55.24 H new ATOM 0 HE2 HIS A 3 23.869 10.188 10.795 1.00 62.12 H new ATOM 45 N HIS A 4 21.070 9.392 4.112 1.00 11.04 N ATOM 46 CA HIS A 4 20.117 9.713 3.028 1.00 32.00 C ATOM 47 C HIS A 4 19.296 10.951 3.412 1.00 33.44 C ATOM 48 O HIS A 4 18.895 11.736 2.547 1.00 32.24 O ATOM 49 CB HIS A 4 19.202 8.497 2.733 1.00 43.55 C ATOM 50 CG HIS A 4 19.906 7.377 2.010 1.00 23.53 C ATOM 51 ND1 HIS A 4 19.634 7.050 0.700 1.00 1.52 N ATOM 52 CD2 HIS A 4 20.896 6.538 2.404 1.00 14.51 C ATOM 53 CE1 HIS A 4 20.413 6.062 0.322 1.00 71.33 C ATOM 54 NE2 HIS A 4 21.193 5.737 1.333 1.00 34.41 N ATOM 0 H HIS A 4 20.718 8.695 4.768 1.00 11.04 H new ATOM 0 HA HIS A 4 20.670 9.937 2.116 1.00 32.00 H new ATOM 0 HB2 HIS A 4 18.801 8.117 3.673 1.00 43.55 H new ATOM 0 HB3 HIS A 4 18.353 8.828 2.135 1.00 43.55 H new ATOM 0 HD2 HIS A 4 21.362 6.507 3.378 1.00 14.51 H new ATOM 0 HE1 HIS A 4 20.414 5.595 -0.652 1.00 71.33 H new ATOM 0 HE2 HIS A 4 21.904 5.006 1.320 1.00 34.41 H new ATOM 63 N HIS A 5 19.048 11.108 4.721 1.00 0.11 N ATOM 64 CA HIS A 5 18.440 12.322 5.281 1.00 32.23 C ATOM 65 C HIS A 5 19.521 13.406 5.377 1.00 54.30 C ATOM 66 O HIS A 5 20.519 13.225 6.085 1.00 62.52 O ATOM 67 CB HIS A 5 17.837 12.040 6.677 1.00 60.40 C ATOM 68 CG HIS A 5 16.770 10.981 6.680 1.00 21.51 C ATOM 69 ND1 HIS A 5 16.922 9.750 7.286 1.00 14.33 N ATOM 70 CD2 HIS A 5 15.532 10.973 6.135 1.00 71.23 C ATOM 71 CE1 HIS A 5 15.829 9.040 7.117 1.00 61.24 C ATOM 72 NE2 HIS A 5 14.972 9.759 6.424 1.00 51.13 N ATOM 0 H HIS A 5 19.264 10.397 5.420 1.00 0.11 H new ATOM 0 HA HIS A 5 17.631 12.658 4.633 1.00 32.23 H new ATOM 0 HB2 HIS A 5 18.637 11.737 7.352 1.00 60.40 H new ATOM 0 HB3 HIS A 5 17.418 12.965 7.074 1.00 60.40 H new ATOM 0 HD2 HIS A 5 15.072 11.775 5.576 1.00 71.23 H new ATOM 0 HE1 HIS A 5 15.663 8.038 7.484 1.00 61.24 H new ATOM 0 HE2 HIS A 5 14.038 9.458 6.146 1.00 51.13 H new ATOM 81 N HIS A 6 19.326 14.511 4.645 1.00 23.11 N ATOM 82 CA HIS A 6 20.301 15.619 4.564 1.00 50.01 C ATOM 83 C HIS A 6 19.973 16.711 5.594 1.00 70.11 C ATOM 84 O HIS A 6 18.829 16.816 6.058 1.00 30.14 O ATOM 85 CB HIS A 6 20.323 16.196 3.128 1.00 64.34 C ATOM 86 CG HIS A 6 20.795 15.202 2.098 1.00 40.44 C ATOM 87 ND1 HIS A 6 19.933 14.423 1.354 1.00 1.43 N ATOM 88 CD2 HIS A 6 22.043 14.853 1.702 1.00 1.52 C ATOM 89 CE1 HIS A 6 20.626 13.651 0.549 1.00 34.21 C ATOM 90 NE2 HIS A 6 21.907 13.884 0.744 1.00 55.24 N ATOM 0 H HIS A 6 18.486 14.667 4.088 1.00 23.11 H new ATOM 0 HA HIS A 6 21.293 15.233 4.798 1.00 50.01 H new ATOM 0 HB2 HIS A 6 19.321 16.536 2.864 1.00 64.34 H new ATOM 0 HB3 HIS A 6 20.973 17.071 3.104 1.00 64.34 H new ATOM 0 HD2 HIS A 6 22.971 15.262 2.073 1.00 1.52 H new ATOM 0 HE1 HIS A 6 20.214 12.943 -0.155 1.00 34.21 H new ATOM 0 HE2 HIS A 6 22.674 13.418 0.260 1.00 55.24 H new ATOM 99 N HIS A 7 21.002 17.509 5.944 1.00 4.24 N ATOM 100 CA HIS A 7 20.890 18.620 6.915 1.00 32.23 C ATOM 101 C HIS A 7 19.894 19.680 6.409 1.00 61.32 C ATOM 102 O HIS A 7 19.904 20.035 5.222 1.00 64.02 O ATOM 103 CB HIS A 7 22.272 19.281 7.163 1.00 20.23 C ATOM 104 CG HIS A 7 23.329 18.347 7.693 1.00 45.23 C ATOM 105 ND1 HIS A 7 23.457 18.035 9.030 1.00 43.14 N ATOM 106 CD2 HIS A 7 24.324 17.677 7.062 1.00 22.55 C ATOM 107 CE1 HIS A 7 24.479 17.221 9.196 1.00 35.01 C ATOM 108 NE2 HIS A 7 25.018 16.988 8.019 1.00 43.54 N ATOM 0 H HIS A 7 21.941 17.401 5.559 1.00 4.24 H new ATOM 0 HA HIS A 7 20.526 18.206 7.855 1.00 32.23 H new ATOM 0 HB2 HIS A 7 22.625 19.715 6.228 1.00 20.23 H new ATOM 0 HB3 HIS A 7 22.146 20.103 7.868 1.00 20.23 H new ATOM 0 HD2 HIS A 7 24.530 17.685 6.002 1.00 22.55 H new ATOM 0 HE1 HIS A 7 24.817 16.814 10.138 1.00 35.01 H new ATOM 0 HE2 HIS A 7 25.825 16.389 7.847 1.00 43.54 H new ATOM 117 N HIS A 8 19.047 20.179 7.326 1.00 51.23 N ATOM 118 CA HIS A 8 17.983 21.155 7.015 1.00 35.45 C ATOM 119 C HIS A 8 18.563 22.582 6.991 1.00 22.11 C ATOM 120 O HIS A 8 18.278 23.404 7.873 1.00 74.04 O ATOM 121 CB HIS A 8 16.827 21.044 8.047 1.00 2.01 C ATOM 122 CG HIS A 8 16.269 19.656 8.209 1.00 65.12 C ATOM 123 ND1 HIS A 8 16.417 18.925 9.369 1.00 50.31 N ATOM 124 CD2 HIS A 8 15.552 18.874 7.366 1.00 44.43 C ATOM 125 CE1 HIS A 8 15.807 17.770 9.239 1.00 63.53 C ATOM 126 NE2 HIS A 8 15.273 17.709 8.034 1.00 53.52 N ATOM 0 H HIS A 8 19.080 19.916 8.311 1.00 51.23 H new ATOM 0 HA HIS A 8 17.578 20.932 6.028 1.00 35.45 H new ATOM 0 HB2 HIS A 8 17.186 21.393 9.015 1.00 2.01 H new ATOM 0 HB3 HIS A 8 16.021 21.713 7.745 1.00 2.01 H new ATOM 0 HD2 HIS A 8 15.256 19.122 6.357 1.00 44.43 H new ATOM 0 HE1 HIS A 8 15.751 16.998 9.993 1.00 63.53 H new ATOM 0 HE2 HIS A 8 14.740 16.924 7.660 1.00 53.52 H new ATOM 135 N SER A 9 19.408 22.857 5.989 1.00 11.42 N ATOM 136 CA SER A 9 20.057 24.168 5.809 1.00 42.14 C ATOM 137 C SER A 9 19.486 24.847 4.547 1.00 33.03 C ATOM 138 O SER A 9 20.212 25.467 3.757 1.00 24.11 O ATOM 139 CB SER A 9 21.595 23.970 5.729 1.00 1.50 C ATOM 140 OG SER A 9 22.295 25.209 5.712 1.00 21.43 O ATOM 0 H SER A 9 19.664 22.175 5.275 1.00 11.42 H new ATOM 0 HA SER A 9 19.853 24.822 6.657 1.00 42.14 H new ATOM 0 HB2 SER A 9 21.928 23.378 6.581 1.00 1.50 H new ATOM 0 HB3 SER A 9 21.841 23.403 4.831 1.00 1.50 H new ATOM 0 HG SER A 9 21.888 25.806 5.050 1.00 21.43 H new ATOM 146 N HIS A 10 18.156 24.740 4.395 1.00 42.43 N ATOM 147 CA HIS A 10 17.424 25.264 3.234 1.00 64.14 C ATOM 148 C HIS A 10 16.018 25.683 3.707 1.00 24.21 C ATOM 149 O HIS A 10 15.365 24.930 4.445 1.00 55.21 O ATOM 150 CB HIS A 10 17.360 24.173 2.117 1.00 31.43 C ATOM 151 CG HIS A 10 17.150 24.717 0.727 1.00 40.21 C ATOM 152 ND1 HIS A 10 18.162 24.804 -0.203 1.00 12.14 N ATOM 153 CD2 HIS A 10 16.045 25.179 0.102 1.00 14.52 C ATOM 154 CE1 HIS A 10 17.689 25.296 -1.328 1.00 74.43 C ATOM 155 NE2 HIS A 10 16.408 25.534 -1.167 1.00 32.13 N ATOM 0 H HIS A 10 17.555 24.283 5.081 1.00 42.43 H new ATOM 0 HA HIS A 10 17.928 26.132 2.810 1.00 64.14 H new ATOM 0 HB2 HIS A 10 18.286 23.599 2.133 1.00 31.43 H new ATOM 0 HB3 HIS A 10 16.551 23.480 2.349 1.00 31.43 H new ATOM 0 HD2 HIS A 10 15.055 25.254 0.528 1.00 14.52 H new ATOM 0 HE1 HIS A 10 18.257 25.474 -2.229 1.00 74.43 H new ATOM 0 HE2 HIS A 10 15.784 25.921 -1.875 1.00 32.13 H new ATOM 164 N MET A 11 15.570 26.889 3.292 1.00 20.22 N ATOM 165 CA MET A 11 14.291 27.488 3.755 1.00 2.23 C ATOM 166 C MET A 11 13.080 26.627 3.346 1.00 61.33 C ATOM 167 O MET A 11 12.060 26.603 4.035 1.00 5.02 O ATOM 168 CB MET A 11 14.123 28.934 3.212 1.00 2.20 C ATOM 169 CG MET A 11 15.274 29.889 3.566 1.00 33.31 C ATOM 170 SD MET A 11 14.955 31.604 3.070 1.00 71.12 S ATOM 171 CE MET A 11 14.674 31.442 1.304 1.00 1.33 C ATOM 0 H MET A 11 16.079 27.475 2.630 1.00 20.22 H new ATOM 0 HA MET A 11 14.330 27.524 4.844 1.00 2.23 H new ATOM 0 HB2 MET A 11 14.025 28.891 2.127 1.00 2.20 H new ATOM 0 HB3 MET A 11 13.193 29.348 3.601 1.00 2.20 H new ATOM 0 HG2 MET A 11 15.449 29.855 4.641 1.00 33.31 H new ATOM 0 HG3 MET A 11 16.188 29.542 3.084 1.00 33.31 H new ATOM 0 HE1 MET A 11 14.697 32.428 0.840 1.00 1.33 H new ATOM 0 HE2 MET A 11 15.453 30.818 0.867 1.00 1.33 H new ATOM 0 HE3 MET A 11 13.701 30.982 1.131 1.00 1.33 H new ATOM 181 N ASN A 12 13.213 25.947 2.202 1.00 32.14 N ATOM 182 CA ASN A 12 12.277 24.913 1.738 1.00 11.02 C ATOM 183 C ASN A 12 13.080 23.622 1.445 1.00 23.14 C ATOM 184 O ASN A 12 13.610 23.465 0.351 1.00 3.14 O ATOM 185 CB ASN A 12 11.471 25.413 0.500 1.00 62.15 C ATOM 186 CG ASN A 12 12.331 26.043 -0.615 1.00 21.24 C ATOM 187 OD1 ASN A 12 12.601 27.244 -0.598 1.00 21.15 O ATOM 188 ND2 ASN A 12 12.785 25.244 -1.578 1.00 63.23 N ATOM 0 H ASN A 12 13.989 26.102 1.559 1.00 32.14 H new ATOM 0 HA ASN A 12 11.539 24.693 2.509 1.00 11.02 H new ATOM 0 HB2 ASN A 12 10.915 24.574 0.082 1.00 62.15 H new ATOM 0 HB3 ASN A 12 10.737 26.147 0.833 1.00 62.15 H new ATOM 0 HD21 ASN A 12 13.370 25.624 -2.322 1.00 63.23 H new ATOM 0 HD22 ASN A 12 12.548 24.252 -1.571 1.00 63.23 H new ATOM 195 N PRO A 13 13.228 22.690 2.451 1.00 13.55 N ATOM 196 CA PRO A 13 14.051 21.452 2.295 1.00 75.11 C ATOM 197 C PRO A 13 13.637 20.623 1.062 1.00 32.12 C ATOM 198 O PRO A 13 14.489 20.146 0.306 1.00 74.40 O ATOM 199 CB PRO A 13 13.808 20.684 3.622 1.00 12.22 C ATOM 200 CG PRO A 13 13.412 21.746 4.604 1.00 32.13 C ATOM 201 CD PRO A 13 12.616 22.762 3.806 1.00 74.11 C ATOM 0 HA PRO A 13 15.104 21.672 2.122 1.00 75.11 H new ATOM 0 HB2 PRO A 13 13.024 19.935 3.509 1.00 12.22 H new ATOM 0 HB3 PRO A 13 14.706 20.158 3.947 1.00 12.22 H new ATOM 0 HG2 PRO A 13 12.814 21.328 5.414 1.00 32.13 H new ATOM 0 HG3 PRO A 13 14.289 22.205 5.060 1.00 32.13 H new ATOM 0 HD2 PRO A 13 11.555 22.512 3.782 1.00 74.11 H new ATOM 0 HD3 PRO A 13 12.699 23.762 4.232 1.00 74.11 H new ATOM 209 N ASP A 14 12.316 20.512 0.855 1.00 24.01 N ATOM 210 CA ASP A 14 11.724 19.813 -0.294 1.00 13.54 C ATOM 211 C ASP A 14 10.228 20.155 -0.357 1.00 15.20 C ATOM 212 O ASP A 14 9.468 19.774 0.534 1.00 44.41 O ATOM 213 CB ASP A 14 11.950 18.272 -0.181 1.00 63.43 C ATOM 214 CG ASP A 14 11.244 17.447 -1.269 1.00 63.41 C ATOM 215 OD1 ASP A 14 11.421 17.744 -2.477 1.00 73.41 O ATOM 216 OD2 ASP A 14 10.518 16.489 -0.924 1.00 21.15 O ATOM 0 H ASP A 14 11.622 20.910 1.488 1.00 24.01 H new ATOM 0 HA ASP A 14 12.207 20.140 -1.215 1.00 13.54 H new ATOM 0 HB2 ASP A 14 13.020 18.069 -0.225 1.00 63.43 H new ATOM 0 HB3 ASP A 14 11.602 17.936 0.796 1.00 63.43 H new ATOM 221 N LEU A 15 9.807 20.892 -1.397 1.00 21.14 N ATOM 222 CA LEU A 15 8.393 21.300 -1.573 1.00 53.31 C ATOM 223 C LEU A 15 7.489 20.058 -1.715 1.00 24.11 C ATOM 224 O LEU A 15 6.328 20.049 -1.276 1.00 32.21 O ATOM 225 CB LEU A 15 8.214 22.235 -2.809 1.00 60.14 C ATOM 226 CG LEU A 15 8.999 23.600 -2.784 1.00 31.21 C ATOM 227 CD1 LEU A 15 10.476 23.446 -3.217 1.00 41.13 C ATOM 228 CD2 LEU A 15 8.280 24.678 -3.629 1.00 42.03 C ATOM 0 H LEU A 15 10.426 21.222 -2.137 1.00 21.14 H new ATOM 0 HA LEU A 15 8.099 21.858 -0.684 1.00 53.31 H new ATOM 0 HB2 LEU A 15 8.518 21.684 -3.699 1.00 60.14 H new ATOM 0 HB3 LEU A 15 7.152 22.455 -2.918 1.00 60.14 H new ATOM 0 HG LEU A 15 9.009 23.932 -1.746 1.00 31.21 H new ATOM 0 HD11 LEU A 15 10.969 24.418 -3.181 1.00 41.13 H new ATOM 0 HD12 LEU A 15 10.983 22.757 -2.542 1.00 41.13 H new ATOM 0 HD13 LEU A 15 10.518 23.055 -4.234 1.00 41.13 H new ATOM 0 HD21 LEU A 15 8.847 25.608 -3.591 1.00 42.03 H new ATOM 0 HD22 LEU A 15 8.206 24.340 -4.663 1.00 42.03 H new ATOM 0 HD23 LEU A 15 7.280 24.846 -3.229 1.00 42.03 H new ATOM 240 N ALA A 16 8.066 18.998 -2.296 1.00 53.31 N ATOM 241 CA ALA A 16 7.397 17.707 -2.475 1.00 61.34 C ATOM 242 C ALA A 16 7.098 17.012 -1.124 1.00 31.31 C ATOM 243 O ALA A 16 6.187 16.173 -1.046 1.00 53.10 O ATOM 244 CB ALA A 16 8.230 16.818 -3.403 1.00 61.41 C ATOM 0 H ALA A 16 9.020 19.015 -2.658 1.00 53.31 H new ATOM 0 HA ALA A 16 6.428 17.885 -2.941 1.00 61.34 H new ATOM 0 HB1 ALA A 16 7.729 15.859 -3.534 1.00 61.41 H new ATOM 0 HB2 ALA A 16 8.340 17.305 -4.372 1.00 61.41 H new ATOM 0 HB3 ALA A 16 9.215 16.656 -2.965 1.00 61.41 H new ATOM 250 N LEU A 17 7.845 17.384 -0.055 1.00 75.44 N ATOM 251 CA LEU A 17 7.582 16.879 1.310 1.00 54.44 C ATOM 252 C LEU A 17 6.392 17.646 1.919 1.00 31.23 C ATOM 253 O LEU A 17 5.713 17.135 2.807 1.00 50.22 O ATOM 254 CB LEU A 17 8.882 16.940 2.208 1.00 42.44 C ATOM 255 CG LEU A 17 9.072 18.152 3.216 1.00 3.03 C ATOM 256 CD1 LEU A 17 8.420 17.881 4.598 1.00 30.41 C ATOM 257 CD2 LEU A 17 10.568 18.521 3.391 1.00 53.15 C ATOM 0 H LEU A 17 8.632 18.030 -0.115 1.00 75.44 H new ATOM 0 HA LEU A 17 7.308 15.825 1.262 1.00 54.44 H new ATOM 0 HB2 LEU A 17 8.922 16.020 2.791 1.00 42.44 H new ATOM 0 HB3 LEU A 17 9.743 16.931 1.540 1.00 42.44 H new ATOM 0 HG LEU A 17 8.556 19.002 2.769 1.00 3.03 H new ATOM 0 HD11 LEU A 17 8.578 18.740 5.250 1.00 30.41 H new ATOM 0 HD12 LEU A 17 7.350 17.715 4.469 1.00 30.41 H new ATOM 0 HD13 LEU A 17 8.873 16.997 5.047 1.00 30.41 H new ATOM 0 HD21 LEU A 17 10.658 19.354 4.088 1.00 53.15 H new ATOM 0 HD22 LEU A 17 11.112 17.661 3.782 1.00 53.15 H new ATOM 0 HD23 LEU A 17 10.987 18.808 2.427 1.00 53.15 H new ATOM 269 N MET A 18 6.140 18.874 1.411 1.00 30.13 N ATOM 270 CA MET A 18 5.061 19.751 1.913 1.00 22.44 C ATOM 271 C MET A 18 3.707 19.362 1.282 1.00 21.53 C ATOM 272 O MET A 18 2.663 19.415 1.947 1.00 45.02 O ATOM 273 CB MET A 18 5.401 21.241 1.619 1.00 50.21 C ATOM 274 CG MET A 18 6.748 21.714 2.198 1.00 31.01 C ATOM 275 SD MET A 18 6.864 21.496 3.992 1.00 24.41 S ATOM 276 CE MET A 18 8.506 22.146 4.342 1.00 43.11 C ATOM 0 H MET A 18 6.677 19.282 0.645 1.00 30.13 H new ATOM 0 HA MET A 18 4.979 19.622 2.992 1.00 22.44 H new ATOM 0 HB2 MET A 18 5.410 21.392 0.540 1.00 50.21 H new ATOM 0 HB3 MET A 18 4.606 21.868 2.022 1.00 50.21 H new ATOM 0 HG2 MET A 18 7.557 21.163 1.718 1.00 31.01 H new ATOM 0 HG3 MET A 18 6.891 22.767 1.956 1.00 31.01 H new ATOM 0 HE1 MET A 18 8.706 22.072 5.411 1.00 43.11 H new ATOM 0 HE2 MET A 18 9.250 21.569 3.793 1.00 43.11 H new ATOM 0 HE3 MET A 18 8.557 23.191 4.035 1.00 43.11 H new ATOM 286 N VAL A 19 3.743 18.942 0.005 1.00 73.30 N ATOM 287 CA VAL A 19 2.524 18.625 -0.775 1.00 13.33 C ATOM 288 C VAL A 19 1.953 17.230 -0.414 1.00 63.01 C ATOM 289 O VAL A 19 0.742 16.987 -0.538 1.00 14.02 O ATOM 290 CB VAL A 19 2.788 18.745 -2.321 1.00 10.04 C ATOM 291 CG1 VAL A 19 3.727 17.640 -2.825 1.00 74.33 C ATOM 292 CG2 VAL A 19 1.466 18.789 -3.131 1.00 4.31 C ATOM 0 H VAL A 19 4.610 18.812 -0.517 1.00 73.30 H new ATOM 0 HA VAL A 19 1.770 19.364 -0.504 1.00 13.33 H new ATOM 0 HB VAL A 19 3.294 19.696 -2.485 1.00 10.04 H new ATOM 0 HG11 VAL A 19 3.885 17.757 -3.897 1.00 74.33 H new ATOM 0 HG12 VAL A 19 4.684 17.712 -2.308 1.00 74.33 H new ATOM 0 HG13 VAL A 19 3.280 16.665 -2.629 1.00 74.33 H new ATOM 0 HG21 VAL A 19 1.693 18.872 -4.194 1.00 4.31 H new ATOM 0 HG22 VAL A 19 0.899 17.876 -2.951 1.00 4.31 H new ATOM 0 HG23 VAL A 19 0.876 19.650 -2.818 1.00 4.31 H new ATOM 302 N LYS A 20 2.830 16.322 0.053 1.00 30.31 N ATOM 303 CA LYS A 20 2.415 14.969 0.489 1.00 11.23 C ATOM 304 C LYS A 20 1.681 15.025 1.854 1.00 33.20 C ATOM 305 O LYS A 20 0.942 14.092 2.207 1.00 31.43 O ATOM 306 CB LYS A 20 3.635 14.007 0.538 1.00 52.51 C ATOM 307 CG LYS A 20 4.660 14.281 1.665 1.00 22.24 C ATOM 308 CD LYS A 20 5.712 13.148 1.830 1.00 61.31 C ATOM 309 CE LYS A 20 6.932 13.251 0.887 1.00 3.53 C ATOM 310 NZ LYS A 20 6.594 13.402 -0.550 1.00 3.20 N ATOM 0 H LYS A 20 3.831 16.498 0.139 1.00 30.31 H new ATOM 0 HA LYS A 20 1.711 14.576 -0.245 1.00 11.23 H new ATOM 0 HB2 LYS A 20 3.266 12.987 0.647 1.00 52.51 H new ATOM 0 HB3 LYS A 20 4.153 14.058 -0.420 1.00 52.51 H new ATOM 0 HG2 LYS A 20 5.176 15.218 1.457 1.00 22.24 H new ATOM 0 HG3 LYS A 20 4.127 14.412 2.607 1.00 22.24 H new ATOM 0 HD2 LYS A 20 6.067 13.149 2.861 1.00 61.31 H new ATOM 0 HD3 LYS A 20 5.221 12.189 1.662 1.00 61.31 H new ATOM 0 HE2 LYS A 20 7.541 14.101 1.194 1.00 3.53 H new ATOM 0 HE3 LYS A 20 7.546 12.359 1.010 1.00 3.53 H new ATOM 0 HZ1 LYS A 20 7.424 13.161 -1.129 1.00 3.20 H new ATOM 0 HZ2 LYS A 20 5.807 12.766 -0.790 1.00 3.20 H new ATOM 0 HZ3 LYS A 20 6.314 14.386 -0.739 1.00 3.20 H new ATOM 324 N ASN A 21 1.906 16.131 2.609 1.00 23.40 N ATOM 325 CA ASN A 21 1.322 16.349 3.959 1.00 2.02 C ATOM 326 C ASN A 21 -0.203 16.508 3.903 1.00 43.33 C ATOM 327 O ASN A 21 -0.918 15.973 4.759 1.00 33.45 O ATOM 328 CB ASN A 21 1.959 17.585 4.655 1.00 22.12 C ATOM 329 CG ASN A 21 3.453 17.422 4.927 1.00 43.13 C ATOM 330 OD1 ASN A 21 3.950 16.306 5.110 1.00 13.33 O ATOM 331 ND2 ASN A 21 4.181 18.528 4.978 1.00 60.53 N ATOM 0 H ASN A 21 2.500 16.900 2.298 1.00 23.40 H new ATOM 0 HA ASN A 21 1.549 15.459 4.547 1.00 2.02 H new ATOM 0 HB2 ASN A 21 1.804 18.465 4.030 1.00 22.12 H new ATOM 0 HB3 ASN A 21 1.443 17.769 5.597 1.00 22.12 H new ATOM 0 HD21 ASN A 21 5.181 18.472 5.173 1.00 60.53 H new ATOM 0 HD22 ASN A 21 3.742 19.435 4.822 1.00 60.53 H new ATOM 338 N LYS A 22 -0.699 17.241 2.890 1.00 53.23 N ATOM 339 CA LYS A 22 -2.153 17.403 2.684 1.00 4.53 C ATOM 340 C LYS A 22 -2.757 16.156 2.028 1.00 1.12 C ATOM 341 O LYS A 22 -3.967 15.933 2.124 1.00 21.24 O ATOM 342 CB LYS A 22 -2.539 18.699 1.906 1.00 13.53 C ATOM 343 CG LYS A 22 -1.783 18.984 0.587 1.00 61.41 C ATOM 344 CD LYS A 22 -0.455 19.752 0.795 1.00 55.11 C ATOM 345 CE LYS A 22 -0.620 21.112 1.493 1.00 1.10 C ATOM 346 NZ LYS A 22 0.699 21.744 1.798 1.00 54.53 N ATOM 0 H LYS A 22 -0.121 17.728 2.205 1.00 53.23 H new ATOM 0 HA LYS A 22 -2.586 17.520 3.678 1.00 4.53 H new ATOM 0 HB2 LYS A 22 -3.605 18.653 1.681 1.00 13.53 H new ATOM 0 HB3 LYS A 22 -2.390 19.549 2.571 1.00 13.53 H new ATOM 0 HG2 LYS A 22 -1.573 18.039 0.085 1.00 61.41 H new ATOM 0 HG3 LYS A 22 -2.428 19.561 -0.076 1.00 61.41 H new ATOM 0 HD2 LYS A 22 0.222 19.133 1.384 1.00 55.11 H new ATOM 0 HD3 LYS A 22 0.018 19.908 -0.175 1.00 55.11 H new ATOM 0 HE2 LYS A 22 -1.204 21.778 0.857 1.00 1.10 H new ATOM 0 HE3 LYS A 22 -1.182 20.980 2.418 1.00 1.10 H new ATOM 0 HZ1 LYS A 22 0.635 22.264 2.697 1.00 54.53 H new ATOM 0 HZ2 LYS A 22 1.428 21.006 1.876 1.00 54.53 H new ATOM 0 HZ3 LYS A 22 0.953 22.403 1.034 1.00 54.53 H new ATOM 360 N GLY A 23 -1.902 15.346 1.377 1.00 30.10 N ATOM 361 CA GLY A 23 -2.294 14.023 0.892 1.00 60.31 C ATOM 362 C GLY A 23 -2.781 13.124 2.027 1.00 0.11 C ATOM 363 O GLY A 23 -3.907 12.614 1.982 1.00 34.43 O ATOM 0 H GLY A 23 -0.932 15.592 1.177 1.00 30.10 H new ATOM 0 HA2 GLY A 23 -3.083 14.128 0.147 1.00 60.31 H new ATOM 0 HA3 GLY A 23 -1.446 13.553 0.394 1.00 60.31 H new ATOM 367 N ASN A 24 -1.946 12.976 3.078 1.00 73.21 N ATOM 368 CA ASN A 24 -2.286 12.128 4.243 1.00 53.54 C ATOM 369 C ASN A 24 -3.317 12.813 5.154 1.00 24.13 C ATOM 370 O ASN A 24 -4.110 12.120 5.811 1.00 23.01 O ATOM 371 CB ASN A 24 -1.020 11.714 5.052 1.00 51.13 C ATOM 372 CG ASN A 24 -0.268 12.881 5.698 1.00 13.52 C ATOM 373 OD1 ASN A 24 0.642 13.441 5.102 1.00 63.41 O ATOM 374 ND2 ASN A 24 -0.644 13.251 6.919 1.00 4.11 N ATOM 0 H ASN A 24 -1.035 13.430 3.145 1.00 73.21 H new ATOM 0 HA ASN A 24 -2.736 11.216 3.849 1.00 53.54 H new ATOM 0 HB2 ASN A 24 -1.316 11.013 5.832 1.00 51.13 H new ATOM 0 HB3 ASN A 24 -0.338 11.182 4.388 1.00 51.13 H new ATOM 0 HD21 ASN A 24 -0.169 14.023 7.387 1.00 4.11 H new ATOM 0 HD22 ASN A 24 -1.407 12.762 7.388 1.00 4.11 H new ATOM 381 N GLU A 25 -3.315 14.168 5.197 1.00 61.42 N ATOM 382 CA GLU A 25 -4.260 14.914 6.052 1.00 61.35 C ATOM 383 C GLU A 25 -5.689 14.761 5.513 1.00 51.22 C ATOM 384 O GLU A 25 -6.601 14.527 6.292 1.00 72.34 O ATOM 385 CB GLU A 25 -3.866 16.426 6.242 1.00 43.33 C ATOM 386 CG GLU A 25 -4.608 17.455 5.357 1.00 41.22 C ATOM 387 CD GLU A 25 -4.244 18.920 5.672 1.00 53.54 C ATOM 388 OE1 GLU A 25 -3.152 19.374 5.277 1.00 13.33 O ATOM 389 OE2 GLU A 25 -5.057 19.637 6.300 1.00 55.23 O ATOM 0 H GLU A 25 -2.679 14.755 4.658 1.00 61.42 H new ATOM 0 HA GLU A 25 -4.210 14.476 7.049 1.00 61.35 H new ATOM 0 HB2 GLU A 25 -4.033 16.692 7.286 1.00 43.33 H new ATOM 0 HB3 GLU A 25 -2.797 16.525 6.055 1.00 43.33 H new ATOM 0 HG2 GLU A 25 -4.382 17.251 4.310 1.00 41.22 H new ATOM 0 HG3 GLU A 25 -5.682 17.322 5.483 1.00 41.22 H new ATOM 396 N CYS A 26 -5.865 14.836 4.170 1.00 43.13 N ATOM 397 CA CYS A 26 -7.202 14.729 3.539 1.00 53.25 C ATOM 398 C CYS A 26 -7.847 13.351 3.801 1.00 44.14 C ATOM 399 O CYS A 26 -9.050 13.264 4.096 1.00 40.25 O ATOM 400 CB CYS A 26 -7.119 15.037 2.040 1.00 52.25 C ATOM 401 SG CYS A 26 -6.714 16.759 1.684 1.00 24.14 S ATOM 0 H CYS A 26 -5.101 14.969 3.507 1.00 43.13 H new ATOM 0 HA CYS A 26 -7.850 15.475 4.000 1.00 53.25 H new ATOM 0 HB2 CYS A 26 -6.366 14.393 1.585 1.00 52.25 H new ATOM 0 HB3 CYS A 26 -8.073 14.792 1.573 1.00 52.25 H new ATOM 0 HG CYS A 26 -5.426 16.923 1.745 1.00 24.14 H new ATOM 407 N PHE A 27 -7.004 12.300 3.755 1.00 12.12 N ATOM 408 CA PHE A 27 -7.394 10.920 4.117 1.00 53.33 C ATOM 409 C PHE A 27 -7.964 10.900 5.553 1.00 42.42 C ATOM 410 O PHE A 27 -9.047 10.361 5.815 1.00 23.02 O ATOM 411 CB PHE A 27 -6.146 9.993 4.002 1.00 33.43 C ATOM 412 CG PHE A 27 -6.450 8.502 4.055 1.00 64.13 C ATOM 413 CD1 PHE A 27 -6.725 7.786 2.891 1.00 55.31 C ATOM 414 CD2 PHE A 27 -6.456 7.815 5.264 1.00 10.43 C ATOM 415 CE1 PHE A 27 -6.997 6.431 2.938 1.00 12.52 C ATOM 416 CE2 PHE A 27 -6.729 6.461 5.313 1.00 72.44 C ATOM 417 CZ PHE A 27 -6.999 5.768 4.149 1.00 52.31 C ATOM 0 H PHE A 27 -6.030 12.383 3.465 1.00 12.12 H new ATOM 0 HA PHE A 27 -8.167 10.558 3.438 1.00 53.33 H new ATOM 0 HB2 PHE A 27 -5.634 10.212 3.065 1.00 33.43 H new ATOM 0 HB3 PHE A 27 -5.454 10.237 4.808 1.00 33.43 H new ATOM 0 HD1 PHE A 27 -6.726 8.297 1.939 1.00 55.31 H new ATOM 0 HD2 PHE A 27 -6.244 8.348 6.179 1.00 10.43 H new ATOM 0 HE1 PHE A 27 -7.208 5.891 2.027 1.00 12.52 H new ATOM 0 HE2 PHE A 27 -6.731 5.945 6.262 1.00 72.44 H new ATOM 0 HZ PHE A 27 -7.211 4.710 4.186 1.00 52.31 H new ATOM 427 N GLN A 28 -7.223 11.577 6.441 1.00 74.04 N ATOM 428 CA GLN A 28 -7.558 11.738 7.864 1.00 5.44 C ATOM 429 C GLN A 28 -8.834 12.600 8.064 1.00 33.35 C ATOM 430 O GLN A 28 -9.488 12.503 9.110 1.00 22.43 O ATOM 431 CB GLN A 28 -6.340 12.377 8.593 1.00 54.53 C ATOM 432 CG GLN A 28 -6.485 12.535 10.119 1.00 40.54 C ATOM 433 CD GLN A 28 -6.691 11.217 10.873 1.00 12.01 C ATOM 434 OE1 GLN A 28 -7.390 11.172 11.888 1.00 65.21 O ATOM 435 NE2 GLN A 28 -6.067 10.135 10.413 1.00 63.32 N ATOM 0 H GLN A 28 -6.351 12.040 6.184 1.00 74.04 H new ATOM 0 HA GLN A 28 -7.774 10.757 8.288 1.00 5.44 H new ATOM 0 HB2 GLN A 28 -5.458 11.769 8.391 1.00 54.53 H new ATOM 0 HB3 GLN A 28 -6.155 13.360 8.160 1.00 54.53 H new ATOM 0 HG2 GLN A 28 -5.593 13.027 10.508 1.00 40.54 H new ATOM 0 HG3 GLN A 28 -7.328 13.194 10.326 1.00 40.54 H new ATOM 0 HE21 GLN A 28 -5.494 10.196 9.571 1.00 63.32 H new ATOM 0 HE22 GLN A 28 -6.162 9.245 10.902 1.00 63.32 H new ATOM 444 N LYS A 29 -9.210 13.426 7.054 1.00 61.13 N ATOM 445 CA LYS A 29 -10.446 14.245 7.132 1.00 43.55 C ATOM 446 C LYS A 29 -11.663 13.388 6.720 1.00 74.01 C ATOM 447 O LYS A 29 -12.811 13.818 6.858 1.00 34.21 O ATOM 448 CB LYS A 29 -10.365 15.528 6.242 1.00 13.32 C ATOM 449 CG LYS A 29 -9.046 16.334 6.317 1.00 64.41 C ATOM 450 CD LYS A 29 -8.589 16.756 7.744 1.00 2.54 C ATOM 451 CE LYS A 29 -9.274 18.030 8.270 1.00 51.54 C ATOM 452 NZ LYS A 29 -10.734 17.868 8.483 1.00 32.43 N ATOM 0 H LYS A 29 -8.683 13.542 6.188 1.00 61.13 H new ATOM 0 HA LYS A 29 -10.558 14.577 8.164 1.00 43.55 H new ATOM 0 HB2 LYS A 29 -10.528 15.235 5.205 1.00 13.32 H new ATOM 0 HB3 LYS A 29 -11.186 16.189 6.520 1.00 13.32 H new ATOM 0 HG2 LYS A 29 -8.253 15.740 5.863 1.00 64.41 H new ATOM 0 HG3 LYS A 29 -9.157 17.233 5.711 1.00 64.41 H new ATOM 0 HD2 LYS A 29 -8.788 15.937 8.435 1.00 2.54 H new ATOM 0 HD3 LYS A 29 -7.510 16.912 7.737 1.00 2.54 H new ATOM 0 HE2 LYS A 29 -8.807 18.323 9.210 1.00 51.54 H new ATOM 0 HE3 LYS A 29 -9.105 18.843 7.564 1.00 51.54 H new ATOM 0 HZ1 LYS A 29 -11.011 18.341 9.367 1.00 32.43 H new ATOM 0 HZ2 LYS A 29 -11.250 18.293 7.686 1.00 32.43 H new ATOM 0 HZ3 LYS A 29 -10.966 16.856 8.545 1.00 32.43 H new ATOM 466 N GLY A 30 -11.387 12.172 6.200 1.00 63.34 N ATOM 467 CA GLY A 30 -12.423 11.244 5.759 1.00 3.40 C ATOM 468 C GLY A 30 -12.542 11.190 4.245 1.00 52.33 C ATOM 469 O GLY A 30 -13.046 10.206 3.695 1.00 32.24 O ATOM 0 H GLY A 30 -10.438 11.817 6.079 1.00 63.34 H new ATOM 0 HA2 GLY A 30 -12.201 10.247 6.140 1.00 3.40 H new ATOM 0 HA3 GLY A 30 -13.380 11.542 6.186 1.00 3.40 H new ATOM 473 N ASP A 31 -12.061 12.248 3.559 1.00 31.24 N ATOM 474 CA ASP A 31 -12.168 12.380 2.096 1.00 55.32 C ATOM 475 C ASP A 31 -10.987 11.639 1.429 1.00 25.34 C ATOM 476 O ASP A 31 -9.935 12.234 1.137 1.00 24.45 O ATOM 477 CB ASP A 31 -12.226 13.885 1.672 1.00 25.42 C ATOM 478 CG ASP A 31 -12.988 14.102 0.347 1.00 13.43 C ATOM 479 OD1 ASP A 31 -12.487 13.713 -0.729 1.00 71.31 O ATOM 480 OD2 ASP A 31 -14.116 14.640 0.377 1.00 54.21 O ATOM 0 H ASP A 31 -11.588 13.033 4.006 1.00 31.24 H new ATOM 0 HA ASP A 31 -13.098 11.923 1.758 1.00 55.32 H new ATOM 0 HB2 ASP A 31 -12.707 14.462 2.462 1.00 25.42 H new ATOM 0 HB3 ASP A 31 -11.211 14.269 1.570 1.00 25.42 H new ATOM 485 N TYR A 32 -11.179 10.326 1.236 1.00 13.42 N ATOM 486 CA TYR A 32 -10.159 9.409 0.689 1.00 35.32 C ATOM 487 C TYR A 32 -9.835 9.683 -0.810 1.00 5.24 C ATOM 488 O TYR A 32 -8.666 9.531 -1.198 1.00 0.30 O ATOM 489 CB TYR A 32 -10.604 7.935 0.891 1.00 3.11 C ATOM 490 CG TYR A 32 -11.018 7.591 2.332 1.00 33.11 C ATOM 491 CD1 TYR A 32 -10.238 7.986 3.420 1.00 3.44 C ATOM 492 CD2 TYR A 32 -12.179 6.862 2.600 1.00 1.43 C ATOM 493 CE1 TYR A 32 -10.599 7.667 4.714 1.00 11.44 C ATOM 494 CE2 TYR A 32 -12.544 6.545 3.895 1.00 72.24 C ATOM 495 CZ TYR A 32 -11.750 6.947 4.948 1.00 51.32 C ATOM 496 OH TYR A 32 -12.104 6.622 6.242 1.00 1.22 O ATOM 0 H TYR A 32 -12.059 9.861 1.458 1.00 13.42 H new ATOM 0 HA TYR A 32 -9.238 9.591 1.242 1.00 35.32 H new ATOM 0 HB2 TYR A 32 -11.441 7.726 0.225 1.00 3.11 H new ATOM 0 HB3 TYR A 32 -9.788 7.277 0.593 1.00 3.11 H new ATOM 0 HD1 TYR A 32 -9.335 8.552 3.246 1.00 3.44 H new ATOM 0 HD2 TYR A 32 -12.803 6.540 1.780 1.00 1.43 H new ATOM 0 HE1 TYR A 32 -9.980 7.981 5.541 1.00 11.44 H new ATOM 0 HE2 TYR A 32 -13.448 5.984 4.081 1.00 72.24 H new ATOM 0 HH TYR A 32 -12.942 6.114 6.234 1.00 1.22 H new ATOM 506 N PRO A 33 -10.839 10.042 -1.708 1.00 63.14 N ATOM 507 CA PRO A 33 -10.526 10.547 -3.061 1.00 11.51 C ATOM 508 C PRO A 33 -9.548 11.751 -3.025 1.00 32.43 C ATOM 509 O PRO A 33 -8.479 11.666 -3.627 1.00 42.02 O ATOM 510 CB PRO A 33 -11.911 10.925 -3.670 1.00 50.41 C ATOM 511 CG PRO A 33 -12.884 10.872 -2.529 1.00 34.34 C ATOM 512 CD PRO A 33 -12.315 9.879 -1.544 1.00 1.23 C ATOM 0 HA PRO A 33 -10.009 9.802 -3.665 1.00 11.51 H new ATOM 0 HB2 PRO A 33 -11.884 11.919 -4.116 1.00 50.41 H new ATOM 0 HB3 PRO A 33 -12.195 10.229 -4.459 1.00 50.41 H new ATOM 0 HG2 PRO A 33 -13.001 11.854 -2.070 1.00 34.34 H new ATOM 0 HG3 PRO A 33 -13.871 10.560 -2.872 1.00 34.34 H new ATOM 0 HD2 PRO A 33 -12.633 10.096 -0.524 1.00 1.23 H new ATOM 0 HD3 PRO A 33 -12.635 8.861 -1.768 1.00 1.23 H new ATOM 520 N GLN A 34 -9.882 12.829 -2.260 1.00 52.25 N ATOM 521 CA GLN A 34 -9.054 14.073 -2.219 1.00 63.04 C ATOM 522 C GLN A 34 -7.629 13.795 -1.701 1.00 1.03 C ATOM 523 O GLN A 34 -6.655 14.455 -2.119 1.00 64.50 O ATOM 524 CB GLN A 34 -9.720 15.168 -1.346 1.00 11.03 C ATOM 525 CG GLN A 34 -9.042 16.556 -1.409 1.00 53.30 C ATOM 526 CD GLN A 34 -9.053 17.194 -2.806 1.00 44.01 C ATOM 527 OE1 GLN A 34 -8.112 17.882 -3.196 1.00 53.40 O ATOM 528 NE2 GLN A 34 -10.137 17.017 -3.551 1.00 12.41 N ATOM 0 H GLN A 34 -10.712 12.863 -1.668 1.00 52.25 H new ATOM 0 HA GLN A 34 -8.985 14.434 -3.245 1.00 63.04 H new ATOM 0 HB2 GLN A 34 -10.760 15.274 -1.654 1.00 11.03 H new ATOM 0 HB3 GLN A 34 -9.727 14.831 -0.310 1.00 11.03 H new ATOM 0 HG2 GLN A 34 -9.544 17.226 -0.711 1.00 53.30 H new ATOM 0 HG3 GLN A 34 -8.010 16.460 -1.073 1.00 53.30 H new ATOM 0 HE21 GLN A 34 -10.905 16.441 -3.205 1.00 12.41 H new ATOM 0 HE22 GLN A 34 -10.202 17.456 -4.469 1.00 12.41 H new ATOM 537 N ALA A 35 -7.530 12.816 -0.788 1.00 73.01 N ATOM 538 CA ALA A 35 -6.248 12.282 -0.314 1.00 72.15 C ATOM 539 C ALA A 35 -5.407 11.790 -1.486 1.00 43.22 C ATOM 540 O ALA A 35 -4.255 12.198 -1.657 1.00 73.05 O ATOM 541 CB ALA A 35 -6.485 11.129 0.664 1.00 12.24 C ATOM 0 H ALA A 35 -8.341 12.372 -0.358 1.00 73.01 H new ATOM 0 HA ALA A 35 -5.712 13.083 0.195 1.00 72.15 H new ATOM 0 HB1 ALA A 35 -5.526 10.741 1.009 1.00 12.24 H new ATOM 0 HB2 ALA A 35 -7.059 11.488 1.518 1.00 12.24 H new ATOM 0 HB3 ALA A 35 -7.039 10.335 0.163 1.00 12.24 H new ATOM 547 N MET A 36 -6.054 10.983 -2.342 1.00 11.54 N ATOM 548 CA MET A 36 -5.414 10.296 -3.462 1.00 44.04 C ATOM 549 C MET A 36 -5.095 11.298 -4.590 1.00 34.14 C ATOM 550 O MET A 36 -4.150 11.098 -5.344 1.00 64.44 O ATOM 551 CB MET A 36 -6.343 9.137 -3.929 1.00 42.20 C ATOM 552 CG MET A 36 -5.794 8.240 -5.057 1.00 43.14 C ATOM 553 SD MET A 36 -5.865 9.002 -6.696 1.00 33.05 S ATOM 554 CE MET A 36 -7.630 9.256 -6.886 1.00 20.33 C ATOM 0 H MET A 36 -7.053 10.790 -2.269 1.00 11.54 H new ATOM 0 HA MET A 36 -4.461 9.864 -3.157 1.00 44.04 H new ATOM 0 HB2 MET A 36 -6.566 8.507 -3.068 1.00 42.20 H new ATOM 0 HB3 MET A 36 -7.288 9.567 -4.262 1.00 42.20 H new ATOM 0 HG2 MET A 36 -4.759 7.981 -4.832 1.00 43.14 H new ATOM 0 HG3 MET A 36 -6.359 7.308 -5.075 1.00 43.14 H new ATOM 0 HE1 MET A 36 -7.873 9.342 -7.945 1.00 20.33 H new ATOM 0 HE2 MET A 36 -8.168 8.410 -6.457 1.00 20.33 H new ATOM 0 HE3 MET A 36 -7.923 10.171 -6.371 1.00 20.33 H new ATOM 564 N LYS A 37 -5.870 12.404 -4.661 1.00 41.21 N ATOM 565 CA LYS A 37 -5.648 13.494 -5.640 1.00 72.13 C ATOM 566 C LYS A 37 -4.388 14.299 -5.275 1.00 72.22 C ATOM 567 O LYS A 37 -3.540 14.556 -6.130 1.00 34.44 O ATOM 568 CB LYS A 37 -6.879 14.436 -5.704 1.00 23.10 C ATOM 569 CG LYS A 37 -8.186 13.725 -6.100 1.00 11.43 C ATOM 570 CD LYS A 37 -9.403 14.677 -6.125 1.00 53.41 C ATOM 571 CE LYS A 37 -10.725 13.958 -6.430 1.00 15.41 C ATOM 572 NZ LYS A 37 -10.720 13.277 -7.751 1.00 22.44 N ATOM 0 H LYS A 37 -6.665 12.566 -4.043 1.00 41.21 H new ATOM 0 HA LYS A 37 -5.505 13.042 -6.621 1.00 72.13 H new ATOM 0 HB2 LYS A 37 -7.014 14.909 -4.731 1.00 23.10 H new ATOM 0 HB3 LYS A 37 -6.678 15.233 -6.420 1.00 23.10 H new ATOM 0 HG2 LYS A 37 -8.064 13.273 -7.084 1.00 11.43 H new ATOM 0 HG3 LYS A 37 -8.380 12.914 -5.398 1.00 11.43 H new ATOM 0 HD2 LYS A 37 -9.484 15.179 -5.161 1.00 53.41 H new ATOM 0 HD3 LYS A 37 -9.236 15.451 -6.874 1.00 53.41 H new ATOM 0 HE2 LYS A 37 -10.922 13.224 -5.649 1.00 15.41 H new ATOM 0 HE3 LYS A 37 -11.541 14.680 -6.402 1.00 15.41 H new ATOM 0 HZ1 LYS A 37 -11.648 12.838 -7.919 1.00 22.44 H new ATOM 0 HZ2 LYS A 37 -10.526 13.973 -8.499 1.00 22.44 H new ATOM 0 HZ3 LYS A 37 -9.983 12.543 -7.761 1.00 22.44 H new ATOM 586 N HIS A 38 -4.287 14.678 -3.980 1.00 44.23 N ATOM 587 CA HIS A 38 -3.109 15.403 -3.437 1.00 74.43 C ATOM 588 C HIS A 38 -1.853 14.513 -3.461 1.00 20.31 C ATOM 589 O HIS A 38 -0.729 15.016 -3.574 1.00 50.44 O ATOM 590 CB HIS A 38 -3.375 15.913 -1.994 1.00 23.10 C ATOM 591 CG HIS A 38 -4.308 17.089 -1.905 1.00 15.33 C ATOM 592 ND1 HIS A 38 -5.227 17.248 -0.893 1.00 30.43 N ATOM 593 CD2 HIS A 38 -4.414 18.200 -2.676 1.00 11.12 C ATOM 594 CE1 HIS A 38 -5.850 18.396 -1.041 1.00 60.42 C ATOM 595 NE2 HIS A 38 -5.378 18.995 -2.114 1.00 71.34 N ATOM 0 H HIS A 38 -5.011 14.493 -3.286 1.00 44.23 H new ATOM 0 HA HIS A 38 -2.936 16.267 -4.079 1.00 74.43 H new ATOM 0 HB2 HIS A 38 -3.787 15.094 -1.404 1.00 23.10 H new ATOM 0 HB3 HIS A 38 -2.423 16.186 -1.539 1.00 23.10 H new ATOM 0 HD1 HIS A 38 -5.398 16.578 -0.143 1.00 30.43 H new ATOM 0 HD2 HIS A 38 -3.844 18.418 -3.567 1.00 11.12 H new ATOM 0 HE1 HIS A 38 -6.621 18.783 -0.391 1.00 60.42 H new ATOM 604 N TYR A 39 -2.062 13.193 -3.341 1.00 13.53 N ATOM 605 CA TYR A 39 -0.992 12.203 -3.492 1.00 45.03 C ATOM 606 C TYR A 39 -0.530 12.125 -4.959 1.00 61.11 C ATOM 607 O TYR A 39 0.661 12.134 -5.213 1.00 4.22 O ATOM 608 CB TYR A 39 -1.442 10.805 -3.017 1.00 63.44 C ATOM 609 CG TYR A 39 -1.419 10.532 -1.509 1.00 13.42 C ATOM 610 CD1 TYR A 39 -0.336 10.914 -0.715 1.00 21.32 C ATOM 611 CD2 TYR A 39 -2.463 9.838 -0.892 1.00 42.44 C ATOM 612 CE1 TYR A 39 -0.304 10.619 0.634 1.00 52.13 C ATOM 613 CE2 TYR A 39 -2.431 9.536 0.445 1.00 3.42 C ATOM 614 CZ TYR A 39 -1.355 9.927 1.207 1.00 74.21 C ATOM 615 OH TYR A 39 -1.310 9.596 2.542 1.00 61.42 O ATOM 0 H TYR A 39 -2.975 12.786 -3.137 1.00 13.53 H new ATOM 0 HA TYR A 39 -0.160 12.527 -2.867 1.00 45.03 H new ATOM 0 HB2 TYR A 39 -2.458 10.639 -3.374 1.00 63.44 H new ATOM 0 HB3 TYR A 39 -0.808 10.064 -3.503 1.00 63.44 H new ATOM 0 HD1 TYR A 39 0.489 11.448 -1.162 1.00 21.32 H new ATOM 0 HD2 TYR A 39 -3.315 9.532 -1.482 1.00 42.44 H new ATOM 0 HE1 TYR A 39 0.537 10.927 1.238 1.00 52.13 H new ATOM 0 HE2 TYR A 39 -3.247 8.993 0.898 1.00 3.42 H new ATOM 0 HH TYR A 39 -2.127 9.113 2.787 1.00 61.42 H new ATOM 625 N THR A 40 -1.482 12.051 -5.914 1.00 32.51 N ATOM 626 CA THR A 40 -1.167 11.959 -7.363 1.00 61.11 C ATOM 627 C THR A 40 -0.411 13.220 -7.836 1.00 51.12 C ATOM 628 O THR A 40 0.492 13.138 -8.677 1.00 61.35 O ATOM 629 CB THR A 40 -2.463 11.735 -8.219 1.00 62.03 C ATOM 630 OG1 THR A 40 -3.102 10.515 -7.802 1.00 21.41 O ATOM 631 CG2 THR A 40 -2.175 11.640 -9.730 1.00 32.32 C ATOM 0 H THR A 40 -2.481 12.053 -5.709 1.00 32.51 H new ATOM 0 HA THR A 40 -0.521 11.093 -7.508 1.00 61.11 H new ATOM 0 HB THR A 40 -3.105 12.601 -8.055 1.00 62.03 H new ATOM 0 HG1 THR A 40 -3.625 10.681 -6.990 1.00 21.41 H new ATOM 0 HG21 THR A 40 -3.109 11.485 -10.269 1.00 32.32 H new ATOM 0 HG22 THR A 40 -1.708 12.564 -10.070 1.00 32.32 H new ATOM 0 HG23 THR A 40 -1.503 10.803 -9.920 1.00 32.32 H new ATOM 639 N GLU A 41 -0.767 14.367 -7.240 1.00 25.24 N ATOM 640 CA GLU A 41 -0.065 15.637 -7.397 1.00 3.11 C ATOM 641 C GLU A 41 1.369 15.531 -6.828 1.00 41.22 C ATOM 642 O GLU A 41 2.337 15.972 -7.462 1.00 72.41 O ATOM 643 CB GLU A 41 -0.899 16.710 -6.654 1.00 3.42 C ATOM 644 CG GLU A 41 -0.194 18.038 -6.372 1.00 42.21 C ATOM 645 CD GLU A 41 0.229 18.820 -7.631 1.00 33.33 C ATOM 646 OE1 GLU A 41 -0.662 19.276 -8.383 1.00 0.24 O ATOM 647 OE2 GLU A 41 1.445 19.025 -7.850 1.00 45.44 O ATOM 0 H GLU A 41 -1.574 14.433 -6.620 1.00 25.24 H new ATOM 0 HA GLU A 41 0.036 15.908 -8.448 1.00 3.11 H new ATOM 0 HB2 GLU A 41 -1.794 16.915 -7.241 1.00 3.42 H new ATOM 0 HB3 GLU A 41 -1.230 16.290 -5.704 1.00 3.42 H new ATOM 0 HG2 GLU A 41 -0.856 18.666 -5.775 1.00 42.21 H new ATOM 0 HG3 GLU A 41 0.691 17.843 -5.767 1.00 42.21 H new ATOM 654 N ALA A 42 1.482 14.915 -5.637 1.00 2.40 N ATOM 655 CA ALA A 42 2.770 14.686 -4.970 1.00 53.13 C ATOM 656 C ALA A 42 3.659 13.717 -5.783 1.00 50.13 C ATOM 657 O ALA A 42 4.867 13.862 -5.776 1.00 14.25 O ATOM 658 CB ALA A 42 2.549 14.173 -3.538 1.00 4.32 C ATOM 0 H ALA A 42 0.681 14.563 -5.113 1.00 2.40 H new ATOM 0 HA ALA A 42 3.298 15.638 -4.913 1.00 53.13 H new ATOM 0 HB1 ALA A 42 3.513 14.008 -3.058 1.00 4.32 H new ATOM 0 HB2 ALA A 42 1.982 14.911 -2.970 1.00 4.32 H new ATOM 0 HB3 ALA A 42 1.994 13.235 -3.569 1.00 4.32 H new ATOM 664 N ILE A 43 3.034 12.765 -6.509 1.00 42.24 N ATOM 665 CA ILE A 43 3.733 11.803 -7.400 1.00 12.22 C ATOM 666 C ILE A 43 4.429 12.555 -8.562 1.00 11.34 C ATOM 667 O ILE A 43 5.485 12.148 -9.030 1.00 24.24 O ATOM 668 CB ILE A 43 2.729 10.670 -7.941 1.00 10.45 C ATOM 669 CG1 ILE A 43 2.742 9.394 -7.026 1.00 72.04 C ATOM 670 CG2 ILE A 43 2.992 10.259 -9.419 1.00 72.02 C ATOM 671 CD1 ILE A 43 2.263 9.584 -5.604 1.00 3.33 C ATOM 0 H ILE A 43 2.022 12.638 -6.496 1.00 42.24 H new ATOM 0 HA ILE A 43 4.502 11.293 -6.820 1.00 12.22 H new ATOM 0 HB ILE A 43 1.741 11.128 -7.904 1.00 10.45 H new ATOM 0 HG12 ILE A 43 2.123 8.630 -7.496 1.00 72.04 H new ATOM 0 HG13 ILE A 43 3.760 9.006 -6.995 1.00 72.04 H new ATOM 0 HG21 ILE A 43 2.278 9.491 -9.716 1.00 72.02 H new ATOM 0 HG22 ILE A 43 2.878 11.130 -10.065 1.00 72.02 H new ATOM 0 HG23 ILE A 43 4.005 9.868 -9.513 1.00 72.02 H new ATOM 0 HD11 ILE A 43 2.318 8.634 -5.072 1.00 3.33 H new ATOM 0 HD12 ILE A 43 2.894 10.318 -5.103 1.00 3.33 H new ATOM 0 HD13 ILE A 43 1.232 9.936 -5.612 1.00 3.33 H new ATOM 683 N LYS A 44 3.826 13.674 -8.999 1.00 73.32 N ATOM 684 CA LYS A 44 4.400 14.530 -10.072 1.00 53.30 C ATOM 685 C LYS A 44 5.609 15.320 -9.540 1.00 70.32 C ATOM 686 O LYS A 44 6.485 15.735 -10.308 1.00 12.14 O ATOM 687 CB LYS A 44 3.324 15.499 -10.632 1.00 40.43 C ATOM 688 CG LYS A 44 1.982 14.816 -10.970 1.00 24.34 C ATOM 689 CD LYS A 44 2.135 13.576 -11.890 1.00 74.21 C ATOM 690 CE LYS A 44 0.798 12.859 -12.142 1.00 20.21 C ATOM 691 NZ LYS A 44 -0.207 13.751 -12.773 1.00 62.25 N ATOM 0 H LYS A 44 2.938 14.014 -8.629 1.00 73.32 H new ATOM 0 HA LYS A 44 4.737 13.884 -10.883 1.00 53.30 H new ATOM 0 HB2 LYS A 44 3.145 16.288 -9.902 1.00 40.43 H new ATOM 0 HB3 LYS A 44 3.713 15.978 -11.530 1.00 40.43 H new ATOM 0 HG2 LYS A 44 1.494 14.514 -10.044 1.00 24.34 H new ATOM 0 HG3 LYS A 44 1.327 15.540 -11.454 1.00 24.34 H new ATOM 0 HD2 LYS A 44 2.562 13.886 -12.844 1.00 74.21 H new ATOM 0 HD3 LYS A 44 2.838 12.877 -11.438 1.00 74.21 H new ATOM 0 HE2 LYS A 44 0.967 11.994 -12.783 1.00 20.21 H new ATOM 0 HE3 LYS A 44 0.405 12.483 -11.197 1.00 20.21 H new ATOM 0 HZ1 LYS A 44 -1.048 13.197 -13.032 1.00 62.25 H new ATOM 0 HZ2 LYS A 44 -0.477 14.499 -12.102 1.00 62.25 H new ATOM 0 HZ3 LYS A 44 0.200 14.183 -13.627 1.00 62.25 H new ATOM 705 N ARG A 45 5.621 15.520 -8.219 1.00 5.34 N ATOM 706 CA ARG A 45 6.705 16.200 -7.501 1.00 35.20 C ATOM 707 C ARG A 45 7.847 15.217 -7.170 1.00 74.12 C ATOM 708 O ARG A 45 9.024 15.585 -7.227 1.00 11.10 O ATOM 709 CB ARG A 45 6.139 16.835 -6.206 1.00 44.31 C ATOM 710 CG ARG A 45 5.025 17.883 -6.406 1.00 73.52 C ATOM 711 CD ARG A 45 5.527 19.212 -7.012 1.00 23.32 C ATOM 712 NE ARG A 45 5.931 19.090 -8.429 1.00 13.55 N ATOM 713 CZ ARG A 45 5.116 19.178 -9.492 1.00 31.21 C ATOM 714 NH1 ARG A 45 3.809 19.398 -9.359 1.00 13.24 N ATOM 715 NH2 ARG A 45 5.623 19.029 -10.708 1.00 25.24 N ATOM 0 H ARG A 45 4.866 15.209 -7.608 1.00 5.34 H new ATOM 0 HA ARG A 45 7.117 16.983 -8.137 1.00 35.20 H new ATOM 0 HB2 ARG A 45 5.752 16.038 -5.571 1.00 44.31 H new ATOM 0 HB3 ARG A 45 6.960 17.304 -5.664 1.00 44.31 H new ATOM 0 HG2 ARG A 45 4.257 17.464 -7.056 1.00 73.52 H new ATOM 0 HG3 ARG A 45 4.553 18.087 -5.445 1.00 73.52 H new ATOM 0 HD2 ARG A 45 4.740 19.962 -6.928 1.00 23.32 H new ATOM 0 HD3 ARG A 45 6.374 19.573 -6.429 1.00 23.32 H new ATOM 0 HE ARG A 45 6.920 18.924 -8.616 1.00 13.55 H new ATOM 0 HH11 ARG A 45 3.402 19.505 -8.430 1.00 13.24 H new ATOM 0 HH12 ARG A 45 3.215 19.460 -10.186 1.00 13.24 H new ATOM 0 HH21 ARG A 45 6.620 18.850 -10.826 1.00 25.24 H new ATOM 0 HH22 ARG A 45 5.016 19.093 -11.525 1.00 25.24 H new ATOM 729 N ASN A 46 7.481 13.958 -6.843 1.00 53.22 N ATOM 730 CA ASN A 46 8.436 12.899 -6.441 1.00 41.32 C ATOM 731 C ASN A 46 8.026 11.519 -7.023 1.00 44.22 C ATOM 732 O ASN A 46 7.590 10.627 -6.297 1.00 24.21 O ATOM 733 CB ASN A 46 8.628 12.869 -4.875 1.00 14.23 C ATOM 734 CG ASN A 46 7.333 12.960 -4.043 1.00 4.40 C ATOM 735 OD1 ASN A 46 7.245 13.739 -3.103 1.00 23.53 O ATOM 736 ND2 ASN A 46 6.336 12.138 -4.330 1.00 33.22 N ATOM 0 H ASN A 46 6.510 13.645 -6.850 1.00 53.22 H new ATOM 0 HA ASN A 46 9.409 13.138 -6.869 1.00 41.32 H new ATOM 0 HB2 ASN A 46 9.146 11.948 -4.608 1.00 14.23 H new ATOM 0 HB3 ASN A 46 9.280 13.695 -4.591 1.00 14.23 H new ATOM 0 HD21 ASN A 46 5.486 12.151 -3.766 1.00 33.22 H new ATOM 0 HD22 ASN A 46 6.418 11.492 -5.115 1.00 33.22 H new ATOM 743 N PRO A 47 8.204 11.303 -8.365 1.00 34.31 N ATOM 744 CA PRO A 47 7.820 10.019 -9.031 1.00 42.14 C ATOM 745 C PRO A 47 8.756 8.855 -8.655 1.00 54.31 C ATOM 746 O PRO A 47 8.492 7.698 -8.990 1.00 33.32 O ATOM 747 CB PRO A 47 7.923 10.369 -10.535 1.00 62.24 C ATOM 748 CG PRO A 47 8.973 11.437 -10.598 1.00 72.21 C ATOM 749 CD PRO A 47 8.787 12.271 -9.347 1.00 61.24 C ATOM 0 HA PRO A 47 6.832 9.670 -8.731 1.00 42.14 H new ATOM 0 HB2 PRO A 47 8.206 9.499 -11.127 1.00 62.24 H new ATOM 0 HB3 PRO A 47 6.970 10.725 -10.926 1.00 62.24 H new ATOM 0 HG2 PRO A 47 9.972 11.002 -10.633 1.00 72.21 H new ATOM 0 HG3 PRO A 47 8.859 12.046 -11.495 1.00 72.21 H new ATOM 0 HD2 PRO A 47 9.733 12.681 -8.993 1.00 61.24 H new ATOM 0 HD3 PRO A 47 8.120 13.115 -9.523 1.00 61.24 H new ATOM 757 N LYS A 48 9.858 9.188 -7.964 1.00 63.31 N ATOM 758 CA LYS A 48 10.883 8.231 -7.538 1.00 34.33 C ATOM 759 C LYS A 48 10.580 7.669 -6.138 1.00 23.40 C ATOM 760 O LYS A 48 11.266 6.748 -5.678 1.00 31.53 O ATOM 761 CB LYS A 48 12.274 8.930 -7.558 1.00 71.13 C ATOM 762 CG LYS A 48 12.576 9.735 -8.845 1.00 51.54 C ATOM 763 CD LYS A 48 12.499 8.877 -10.127 1.00 32.34 C ATOM 764 CE LYS A 48 13.519 7.726 -10.147 1.00 54.53 C ATOM 765 NZ LYS A 48 14.918 8.220 -10.061 1.00 4.32 N ATOM 0 H LYS A 48 10.062 10.147 -7.683 1.00 63.31 H new ATOM 0 HA LYS A 48 10.886 7.389 -8.231 1.00 34.33 H new ATOM 0 HB2 LYS A 48 12.340 9.602 -6.702 1.00 71.13 H new ATOM 0 HB3 LYS A 48 13.048 8.173 -7.430 1.00 71.13 H new ATOM 0 HG2 LYS A 48 11.869 10.561 -8.924 1.00 51.54 H new ATOM 0 HG3 LYS A 48 13.571 10.173 -8.767 1.00 51.54 H new ATOM 0 HD2 LYS A 48 11.494 8.465 -10.221 1.00 32.34 H new ATOM 0 HD3 LYS A 48 12.664 9.516 -10.995 1.00 32.34 H new ATOM 0 HE2 LYS A 48 13.321 7.052 -9.314 1.00 54.53 H new ATOM 0 HE3 LYS A 48 13.395 7.147 -11.062 1.00 54.53 H new ATOM 0 HZ1 LYS A 48 15.576 7.423 -10.180 1.00 4.32 H new ATOM 0 HZ2 LYS A 48 15.085 8.921 -10.810 1.00 4.32 H new ATOM 0 HZ3 LYS A 48 15.074 8.662 -9.132 1.00 4.32 H new ATOM 779 N ASP A 49 9.549 8.224 -5.471 1.00 71.14 N ATOM 780 CA ASP A 49 9.181 7.844 -4.094 1.00 51.44 C ATOM 781 C ASP A 49 8.184 6.668 -4.137 1.00 25.10 C ATOM 782 O ASP A 49 7.084 6.813 -4.674 1.00 75.42 O ATOM 783 CB ASP A 49 8.564 9.059 -3.342 1.00 51.12 C ATOM 784 CG ASP A 49 8.526 8.846 -1.816 1.00 74.15 C ATOM 785 OD1 ASP A 49 7.666 8.079 -1.321 1.00 44.02 O ATOM 786 OD2 ASP A 49 9.374 9.429 -1.103 1.00 43.44 O ATOM 0 H ASP A 49 8.950 8.946 -5.871 1.00 71.14 H new ATOM 0 HA ASP A 49 10.076 7.533 -3.555 1.00 51.44 H new ATOM 0 HB2 ASP A 49 9.143 9.955 -3.567 1.00 51.12 H new ATOM 0 HB3 ASP A 49 7.552 9.234 -3.707 1.00 51.12 H new ATOM 791 N ALA A 50 8.580 5.525 -3.558 1.00 21.30 N ATOM 792 CA ALA A 50 7.807 4.270 -3.619 1.00 24.12 C ATOM 793 C ALA A 50 6.594 4.277 -2.669 1.00 35.55 C ATOM 794 O ALA A 50 5.511 3.789 -3.038 1.00 2.41 O ATOM 795 CB ALA A 50 8.731 3.075 -3.321 1.00 63.51 C ATOM 0 H ALA A 50 9.449 5.442 -3.031 1.00 21.30 H new ATOM 0 HA ALA A 50 7.408 4.176 -4.629 1.00 24.12 H new ATOM 0 HB1 ALA A 50 8.156 2.150 -3.367 1.00 63.51 H new ATOM 0 HB2 ALA A 50 9.532 3.041 -4.059 1.00 63.51 H new ATOM 0 HB3 ALA A 50 9.160 3.186 -2.325 1.00 63.51 H new ATOM 801 N LYS A 51 6.756 4.849 -1.448 1.00 0.31 N ATOM 802 CA LYS A 51 5.698 4.780 -0.415 1.00 51.10 C ATOM 803 C LYS A 51 4.552 5.748 -0.746 1.00 41.24 C ATOM 804 O LYS A 51 3.421 5.542 -0.313 1.00 61.05 O ATOM 805 CB LYS A 51 6.268 4.991 1.029 1.00 50.50 C ATOM 806 CG LYS A 51 6.691 6.432 1.448 1.00 50.33 C ATOM 807 CD LYS A 51 5.535 7.270 2.050 1.00 1.40 C ATOM 808 CE LYS A 51 5.988 8.654 2.544 1.00 34.31 C ATOM 809 NZ LYS A 51 4.877 9.422 3.186 1.00 11.43 N ATOM 0 H LYS A 51 7.595 5.354 -1.161 1.00 0.31 H new ATOM 0 HA LYS A 51 5.285 3.771 -0.425 1.00 51.10 H new ATOM 0 HB2 LYS A 51 5.516 4.645 1.738 1.00 50.50 H new ATOM 0 HB3 LYS A 51 7.136 4.342 1.143 1.00 50.50 H new ATOM 0 HG2 LYS A 51 7.499 6.367 2.177 1.00 50.33 H new ATOM 0 HG3 LYS A 51 7.090 6.952 0.577 1.00 50.33 H new ATOM 0 HD2 LYS A 51 4.756 7.396 1.298 1.00 1.40 H new ATOM 0 HD3 LYS A 51 5.091 6.722 2.881 1.00 1.40 H new ATOM 0 HE2 LYS A 51 6.803 8.533 3.258 1.00 34.31 H new ATOM 0 HE3 LYS A 51 6.383 9.225 1.704 1.00 34.31 H new ATOM 0 HZ1 LYS A 51 5.232 10.347 3.502 1.00 11.43 H new ATOM 0 HZ2 LYS A 51 4.109 9.562 2.499 1.00 11.43 H new ATOM 0 HZ3 LYS A 51 4.516 8.892 4.005 1.00 11.43 H new ATOM 823 N LEU A 52 4.856 6.788 -1.534 1.00 74.15 N ATOM 824 CA LEU A 52 3.858 7.772 -2.005 1.00 34.43 C ATOM 825 C LEU A 52 2.772 7.089 -2.869 1.00 20.20 C ATOM 826 O LEU A 52 1.594 7.486 -2.830 1.00 35.32 O ATOM 827 CB LEU A 52 4.574 8.946 -2.769 1.00 51.10 C ATOM 828 CG LEU A 52 4.543 10.342 -2.060 1.00 72.02 C ATOM 829 CD1 LEU A 52 3.107 10.904 -1.954 1.00 24.11 C ATOM 830 CD2 LEU A 52 5.222 10.291 -0.672 1.00 30.13 C ATOM 0 H LEU A 52 5.802 6.976 -1.866 1.00 74.15 H new ATOM 0 HA LEU A 52 3.349 8.201 -1.142 1.00 34.43 H new ATOM 0 HB2 LEU A 52 5.615 8.666 -2.932 1.00 51.10 H new ATOM 0 HB3 LEU A 52 4.113 9.049 -3.752 1.00 51.10 H new ATOM 0 HG LEU A 52 5.116 11.026 -2.686 1.00 72.02 H new ATOM 0 HD11 LEU A 52 3.131 11.873 -1.456 1.00 24.11 H new ATOM 0 HD12 LEU A 52 2.687 11.020 -2.953 1.00 24.11 H new ATOM 0 HD13 LEU A 52 2.488 10.216 -1.378 1.00 24.11 H new ATOM 0 HD21 LEU A 52 5.181 11.278 -0.210 1.00 30.13 H new ATOM 0 HD22 LEU A 52 4.702 9.572 -0.039 1.00 30.13 H new ATOM 0 HD23 LEU A 52 6.262 9.987 -0.787 1.00 30.13 H new ATOM 842 N TYR A 53 3.183 6.056 -3.628 1.00 34.31 N ATOM 843 CA TYR A 53 2.253 5.197 -4.380 1.00 43.02 C ATOM 844 C TYR A 53 1.511 4.237 -3.431 1.00 71.21 C ATOM 845 O TYR A 53 0.306 4.101 -3.537 1.00 70.24 O ATOM 846 CB TYR A 53 2.984 4.381 -5.471 1.00 43.44 C ATOM 847 CG TYR A 53 3.597 5.217 -6.603 1.00 61.12 C ATOM 848 CD1 TYR A 53 2.854 5.547 -7.737 1.00 64.44 C ATOM 849 CD2 TYR A 53 4.914 5.671 -6.538 1.00 25.50 C ATOM 850 CE1 TYR A 53 3.406 6.294 -8.760 1.00 14.24 C ATOM 851 CE2 TYR A 53 5.469 6.420 -7.558 1.00 44.52 C ATOM 852 CZ TYR A 53 4.717 6.728 -8.668 1.00 15.25 C ATOM 853 OH TYR A 53 5.277 7.470 -9.694 1.00 24.03 O ATOM 0 H TYR A 53 4.163 5.796 -3.736 1.00 34.31 H new ATOM 0 HA TYR A 53 1.532 5.854 -4.867 1.00 43.02 H new ATOM 0 HB2 TYR A 53 3.776 3.799 -4.999 1.00 43.44 H new ATOM 0 HB3 TYR A 53 2.281 3.670 -5.904 1.00 43.44 H new ATOM 0 HD1 TYR A 53 1.830 5.213 -7.816 1.00 64.44 H new ATOM 0 HD2 TYR A 53 5.513 5.432 -5.672 1.00 25.50 H new ATOM 0 HE1 TYR A 53 2.815 6.539 -9.630 1.00 14.24 H new ATOM 0 HE2 TYR A 53 6.491 6.763 -7.484 1.00 44.52 H new ATOM 0 HH TYR A 53 6.242 7.558 -9.545 1.00 24.03 H new ATOM 863 N SER A 54 2.234 3.598 -2.481 1.00 41.31 N ATOM 864 CA SER A 54 1.630 2.585 -1.568 1.00 10.13 C ATOM 865 C SER A 54 0.546 3.205 -0.645 1.00 41.31 C ATOM 866 O SER A 54 -0.328 2.494 -0.134 1.00 70.34 O ATOM 867 CB SER A 54 2.717 1.864 -0.732 1.00 71.43 C ATOM 868 OG SER A 54 3.363 2.723 0.194 1.00 75.30 O ATOM 0 H SER A 54 3.229 3.761 -2.323 1.00 41.31 H new ATOM 0 HA SER A 54 1.137 1.845 -2.198 1.00 10.13 H new ATOM 0 HB2 SER A 54 2.262 1.034 -0.193 1.00 71.43 H new ATOM 0 HB3 SER A 54 3.461 1.437 -1.404 1.00 71.43 H new ATOM 0 HG SER A 54 3.217 3.656 -0.068 1.00 75.30 H new ATOM 874 N ASN A 55 0.631 4.537 -0.446 1.00 65.34 N ATOM 875 CA ASN A 55 -0.397 5.329 0.261 1.00 71.45 C ATOM 876 C ASN A 55 -1.671 5.452 -0.598 1.00 2.15 C ATOM 877 O ASN A 55 -2.791 5.346 -0.087 1.00 63.24 O ATOM 878 CB ASN A 55 0.142 6.741 0.619 1.00 51.14 C ATOM 879 CG ASN A 55 1.193 6.748 1.735 1.00 43.24 C ATOM 880 OD1 ASN A 55 1.920 5.778 1.936 1.00 64.12 O ATOM 881 ND2 ASN A 55 1.270 7.845 2.477 1.00 21.54 N ATOM 0 H ASN A 55 1.419 5.096 -0.773 1.00 65.34 H new ATOM 0 HA ASN A 55 -0.645 4.809 1.186 1.00 71.45 H new ATOM 0 HB2 ASN A 55 0.575 7.190 -0.275 1.00 51.14 H new ATOM 0 HB3 ASN A 55 -0.695 7.372 0.919 1.00 51.14 H new ATOM 0 HD21 ASN A 55 1.946 7.899 3.239 1.00 21.54 H new ATOM 0 HD22 ASN A 55 0.653 8.634 2.286 1.00 21.54 H new ATOM 888 N ARG A 56 -1.479 5.687 -1.913 1.00 53.34 N ATOM 889 CA ARG A 56 -2.582 5.708 -2.898 1.00 34.31 C ATOM 890 C ARG A 56 -3.211 4.319 -3.044 1.00 54.53 C ATOM 891 O ARG A 56 -4.417 4.213 -3.181 1.00 45.54 O ATOM 892 CB ARG A 56 -2.088 6.220 -4.281 1.00 23.42 C ATOM 893 CG ARG A 56 -1.924 7.741 -4.360 1.00 11.21 C ATOM 894 CD ARG A 56 -1.297 8.231 -5.681 1.00 4.13 C ATOM 895 NE ARG A 56 -1.994 7.716 -6.870 1.00 73.34 N ATOM 896 CZ ARG A 56 -1.488 6.794 -7.713 1.00 24.20 C ATOM 897 NH1 ARG A 56 -0.274 6.303 -7.502 1.00 53.12 N ATOM 898 NH2 ARG A 56 -2.228 6.327 -8.706 1.00 23.13 N ATOM 0 H ARG A 56 -0.561 5.867 -2.320 1.00 53.34 H new ATOM 0 HA ARG A 56 -3.341 6.396 -2.527 1.00 34.31 H new ATOM 0 HB2 ARG A 56 -1.132 5.749 -4.511 1.00 23.42 H new ATOM 0 HB3 ARG A 56 -2.793 5.901 -5.048 1.00 23.42 H new ATOM 0 HG2 ARG A 56 -2.900 8.209 -4.236 1.00 11.21 H new ATOM 0 HG3 ARG A 56 -1.303 8.074 -3.528 1.00 11.21 H new ATOM 0 HD2 ARG A 56 -1.310 9.321 -5.702 1.00 4.13 H new ATOM 0 HD3 ARG A 56 -0.252 7.924 -5.717 1.00 4.13 H new ATOM 0 HE ARG A 56 -2.925 8.082 -7.070 1.00 73.34 H new ATOM 0 HH11 ARG A 56 0.274 6.623 -6.704 1.00 53.12 H new ATOM 0 HH12 ARG A 56 0.112 5.605 -8.138 1.00 53.12 H new ATOM 0 HH21 ARG A 56 -3.182 6.665 -8.834 1.00 23.13 H new ATOM 0 HH22 ARG A 56 -1.844 5.629 -9.344 1.00 23.13 H new ATOM 912 N ALA A 57 -2.378 3.274 -2.996 1.00 44.31 N ATOM 913 CA ALA A 57 -2.824 1.869 -3.043 1.00 1.54 C ATOM 914 C ALA A 57 -3.670 1.524 -1.802 1.00 61.01 C ATOM 915 O ALA A 57 -4.660 0.792 -1.893 1.00 71.14 O ATOM 916 CB ALA A 57 -1.607 0.942 -3.163 1.00 52.23 C ATOM 0 H ALA A 57 -1.366 3.376 -2.923 1.00 44.31 H new ATOM 0 HA ALA A 57 -3.455 1.725 -3.920 1.00 1.54 H new ATOM 0 HB1 ALA A 57 -1.941 -0.095 -3.197 1.00 52.23 H new ATOM 0 HB2 ALA A 57 -1.059 1.177 -4.076 1.00 52.23 H new ATOM 0 HB3 ALA A 57 -0.955 1.084 -2.301 1.00 52.23 H new ATOM 922 N ALA A 58 -3.275 2.100 -0.652 1.00 53.31 N ATOM 923 CA ALA A 58 -4.015 1.984 0.618 1.00 21.44 C ATOM 924 C ALA A 58 -5.348 2.757 0.565 1.00 0.32 C ATOM 925 O ALA A 58 -6.294 2.423 1.283 1.00 23.30 O ATOM 926 CB ALA A 58 -3.142 2.486 1.771 1.00 54.41 C ATOM 0 H ALA A 58 -2.428 2.663 -0.577 1.00 53.31 H new ATOM 0 HA ALA A 58 -4.255 0.934 0.783 1.00 21.44 H new ATOM 0 HB1 ALA A 58 -3.692 2.399 2.708 1.00 54.41 H new ATOM 0 HB2 ALA A 58 -2.233 1.887 1.827 1.00 54.41 H new ATOM 0 HB3 ALA A 58 -2.879 3.530 1.600 1.00 54.41 H new ATOM 932 N CYS A 59 -5.403 3.815 -0.263 1.00 75.24 N ATOM 933 CA CYS A 59 -6.661 4.514 -0.565 1.00 44.42 C ATOM 934 C CYS A 59 -7.530 3.637 -1.498 1.00 74.32 C ATOM 935 O CYS A 59 -8.707 3.407 -1.225 1.00 72.55 O ATOM 936 CB CYS A 59 -6.379 5.900 -1.207 1.00 24.43 C ATOM 937 SG CYS A 59 -5.376 7.002 -0.190 1.00 14.54 S ATOM 0 H CYS A 59 -4.587 4.204 -0.735 1.00 75.24 H new ATOM 0 HA CYS A 59 -7.206 4.685 0.364 1.00 44.42 H new ATOM 0 HB2 CYS A 59 -5.876 5.749 -2.162 1.00 24.43 H new ATOM 0 HB3 CYS A 59 -7.330 6.388 -1.421 1.00 24.43 H new ATOM 0 HG CYS A 59 -5.824 6.994 1.030 1.00 14.54 H new ATOM 943 N TYR A 60 -6.891 3.071 -2.550 1.00 71.11 N ATOM 944 CA TYR A 60 -7.575 2.303 -3.612 1.00 22.32 C ATOM 945 C TYR A 60 -8.277 1.052 -3.054 1.00 73.23 C ATOM 946 O TYR A 60 -9.325 0.668 -3.559 1.00 74.24 O ATOM 947 CB TYR A 60 -6.590 1.918 -4.757 1.00 75.24 C ATOM 948 CG TYR A 60 -6.158 3.092 -5.660 1.00 3.51 C ATOM 949 CD1 TYR A 60 -7.084 4.052 -6.096 1.00 71.13 C ATOM 950 CD2 TYR A 60 -4.835 3.226 -6.102 1.00 31.44 C ATOM 951 CE1 TYR A 60 -6.702 5.092 -6.924 1.00 70.45 C ATOM 952 CE2 TYR A 60 -4.452 4.269 -6.928 1.00 4.13 C ATOM 953 CZ TYR A 60 -5.387 5.197 -7.337 1.00 4.30 C ATOM 954 OH TYR A 60 -5.010 6.241 -8.161 1.00 51.41 O ATOM 0 H TYR A 60 -5.882 3.136 -2.684 1.00 71.11 H new ATOM 0 HA TYR A 60 -8.344 2.953 -4.029 1.00 22.32 H new ATOM 0 HB2 TYR A 60 -5.699 1.470 -4.316 1.00 75.24 H new ATOM 0 HB3 TYR A 60 -7.057 1.153 -5.378 1.00 75.24 H new ATOM 0 HD1 TYR A 60 -8.114 3.977 -5.779 1.00 71.13 H new ATOM 0 HD2 TYR A 60 -4.098 2.500 -5.792 1.00 31.44 H new ATOM 0 HE1 TYR A 60 -7.430 5.821 -7.247 1.00 70.45 H new ATOM 0 HE2 TYR A 60 -3.425 4.356 -7.251 1.00 4.13 H new ATOM 0 HH TYR A 60 -5.257 7.093 -7.744 1.00 51.41 H new ATOM 964 N THR A 61 -7.716 0.448 -1.995 1.00 31.40 N ATOM 965 CA THR A 61 -8.384 -0.655 -1.279 1.00 3.14 C ATOM 966 C THR A 61 -9.737 -0.174 -0.688 1.00 13.00 C ATOM 967 O THR A 61 -10.776 -0.829 -0.870 1.00 71.42 O ATOM 968 CB THR A 61 -7.479 -1.245 -0.146 1.00 51.51 C ATOM 969 OG1 THR A 61 -7.099 -0.208 0.769 1.00 55.04 O ATOM 970 CG2 THR A 61 -6.213 -1.921 -0.709 1.00 14.22 C ATOM 0 H THR A 61 -6.804 0.702 -1.615 1.00 31.40 H new ATOM 0 HA THR A 61 -8.570 -1.450 -2.001 1.00 3.14 H new ATOM 0 HB THR A 61 -8.063 -2.005 0.372 1.00 51.51 H new ATOM 0 HG1 THR A 61 -6.534 -0.586 1.475 1.00 55.04 H new ATOM 0 HG21 THR A 61 -5.615 -2.316 0.113 1.00 14.22 H new ATOM 0 HG22 THR A 61 -6.501 -2.736 -1.373 1.00 14.22 H new ATOM 0 HG23 THR A 61 -5.627 -1.190 -1.265 1.00 14.22 H new ATOM 978 N LYS A 62 -9.712 1.029 -0.063 1.00 32.41 N ATOM 979 CA LYS A 62 -10.878 1.633 0.604 1.00 51.14 C ATOM 980 C LYS A 62 -11.960 2.005 -0.428 1.00 72.35 C ATOM 981 O LYS A 62 -13.166 1.932 -0.161 1.00 43.25 O ATOM 982 CB LYS A 62 -10.412 2.898 1.385 1.00 31.43 C ATOM 983 CG LYS A 62 -11.367 3.407 2.480 1.00 13.23 C ATOM 984 CD LYS A 62 -11.349 2.540 3.769 1.00 2.13 C ATOM 985 CE LYS A 62 -12.320 1.349 3.750 1.00 73.25 C ATOM 986 NZ LYS A 62 -12.229 0.538 4.995 1.00 21.42 N ATOM 0 H LYS A 62 -8.873 1.607 -0.011 1.00 32.41 H new ATOM 0 HA LYS A 62 -11.312 0.914 1.299 1.00 51.14 H new ATOM 0 HB2 LYS A 62 -9.447 2.682 1.844 1.00 31.43 H new ATOM 0 HB3 LYS A 62 -10.251 3.704 0.669 1.00 31.43 H new ATOM 0 HG2 LYS A 62 -11.099 4.432 2.737 1.00 13.23 H new ATOM 0 HG3 LYS A 62 -12.382 3.433 2.083 1.00 13.23 H new ATOM 0 HD2 LYS A 62 -10.337 2.165 3.925 1.00 2.13 H new ATOM 0 HD3 LYS A 62 -11.589 3.175 4.622 1.00 2.13 H new ATOM 0 HE2 LYS A 62 -13.340 1.714 3.628 1.00 73.25 H new ATOM 0 HE3 LYS A 62 -12.103 0.717 2.889 1.00 73.25 H new ATOM 0 HZ1 LYS A 62 -12.900 -0.255 4.942 1.00 21.42 H new ATOM 0 HZ2 LYS A 62 -11.263 0.168 5.098 1.00 21.42 H new ATOM 0 HZ3 LYS A 62 -12.461 1.134 5.815 1.00 21.42 H new ATOM 1000 N LEU A 63 -11.490 2.369 -1.625 1.00 25.02 N ATOM 1001 CA LEU A 63 -12.336 2.788 -2.750 1.00 72.13 C ATOM 1002 C LEU A 63 -12.794 1.569 -3.586 1.00 42.23 C ATOM 1003 O LEU A 63 -13.448 1.754 -4.619 1.00 0.34 O ATOM 1004 CB LEU A 63 -11.540 3.805 -3.632 1.00 34.24 C ATOM 1005 CG LEU A 63 -10.943 5.047 -2.887 1.00 3.20 C ATOM 1006 CD1 LEU A 63 -10.091 5.919 -3.834 1.00 12.21 C ATOM 1007 CD2 LEU A 63 -12.046 5.870 -2.187 1.00 30.31 C ATOM 0 H LEU A 63 -10.494 2.381 -1.845 1.00 25.02 H new ATOM 0 HA LEU A 63 -13.235 3.270 -2.365 1.00 72.13 H new ATOM 0 HB2 LEU A 63 -10.723 3.271 -4.118 1.00 34.24 H new ATOM 0 HB3 LEU A 63 -12.200 4.164 -4.422 1.00 34.24 H new ATOM 0 HG LEU A 63 -10.277 4.674 -2.109 1.00 3.20 H new ATOM 0 HD11 LEU A 63 -9.693 6.771 -3.284 1.00 12.21 H new ATOM 0 HD12 LEU A 63 -9.267 5.326 -4.231 1.00 12.21 H new ATOM 0 HD13 LEU A 63 -10.711 6.276 -4.657 1.00 12.21 H new ATOM 0 HD21 LEU A 63 -11.597 6.724 -1.680 1.00 30.31 H new ATOM 0 HD22 LEU A 63 -12.762 6.224 -2.929 1.00 30.31 H new ATOM 0 HD23 LEU A 63 -12.559 5.244 -1.457 1.00 30.31 H new ATOM 1019 N LEU A 64 -12.424 0.330 -3.138 1.00 35.55 N ATOM 1020 CA LEU A 64 -12.741 -0.947 -3.841 1.00 12.22 C ATOM 1021 C LEU A 64 -11.958 -1.091 -5.168 1.00 43.43 C ATOM 1022 O LEU A 64 -12.147 -2.067 -5.895 1.00 4.23 O ATOM 1023 CB LEU A 64 -14.286 -1.165 -4.059 1.00 73.23 C ATOM 1024 CG LEU A 64 -15.140 -1.576 -2.802 1.00 13.34 C ATOM 1025 CD1 LEU A 64 -14.597 -2.862 -2.138 1.00 43.01 C ATOM 1026 CD2 LEU A 64 -15.264 -0.420 -1.781 1.00 32.11 C ATOM 0 H LEU A 64 -11.896 0.193 -2.276 1.00 35.55 H new ATOM 0 HA LEU A 64 -12.407 -1.742 -3.174 1.00 12.22 H new ATOM 0 HB2 LEU A 64 -14.703 -0.243 -4.464 1.00 73.23 H new ATOM 0 HB3 LEU A 64 -14.414 -1.934 -4.821 1.00 73.23 H new ATOM 0 HG LEU A 64 -16.146 -1.794 -3.162 1.00 13.34 H new ATOM 0 HD11 LEU A 64 -15.213 -3.113 -1.274 1.00 43.01 H new ATOM 0 HD12 LEU A 64 -14.626 -3.682 -2.855 1.00 43.01 H new ATOM 0 HD13 LEU A 64 -13.569 -2.699 -1.815 1.00 43.01 H new ATOM 0 HD21 LEU A 64 -15.861 -0.748 -0.930 1.00 32.11 H new ATOM 0 HD22 LEU A 64 -14.271 -0.130 -1.437 1.00 32.11 H new ATOM 0 HD23 LEU A 64 -15.747 0.434 -2.255 1.00 32.11 H new ATOM 1038 N GLU A 65 -11.046 -0.148 -5.442 1.00 13.43 N ATOM 1039 CA GLU A 65 -10.205 -0.105 -6.653 1.00 12.34 C ATOM 1040 C GLU A 65 -8.938 -0.969 -6.467 1.00 24.23 C ATOM 1041 O GLU A 65 -7.825 -0.546 -6.813 1.00 65.23 O ATOM 1042 CB GLU A 65 -9.824 1.376 -6.928 1.00 34.42 C ATOM 1043 CG GLU A 65 -11.023 2.312 -7.161 1.00 44.00 C ATOM 1044 CD GLU A 65 -11.817 1.954 -8.429 1.00 74.41 C ATOM 1045 OE1 GLU A 65 -11.364 2.312 -9.536 1.00 21.51 O ATOM 1046 OE2 GLU A 65 -12.884 1.301 -8.332 1.00 0.21 O ATOM 0 H GLU A 65 -10.865 0.631 -4.809 1.00 13.43 H new ATOM 0 HA GLU A 65 -10.755 -0.510 -7.502 1.00 12.34 H new ATOM 0 HB2 GLU A 65 -9.245 1.751 -6.084 1.00 34.42 H new ATOM 0 HB3 GLU A 65 -9.174 1.414 -7.802 1.00 34.42 H new ATOM 0 HG2 GLU A 65 -11.686 2.268 -6.297 1.00 44.00 H new ATOM 0 HG3 GLU A 65 -10.667 3.339 -7.238 1.00 44.00 H new ATOM 1053 N PHE A 66 -9.129 -2.203 -5.959 1.00 73.32 N ATOM 1054 CA PHE A 66 -8.040 -3.166 -5.708 1.00 55.15 C ATOM 1055 C PHE A 66 -7.231 -3.453 -6.983 1.00 13.21 C ATOM 1056 O PHE A 66 -6.040 -3.702 -6.892 1.00 1.32 O ATOM 1057 CB PHE A 66 -8.585 -4.497 -5.139 1.00 52.04 C ATOM 1058 CG PHE A 66 -9.149 -4.418 -3.728 1.00 43.33 C ATOM 1059 CD1 PHE A 66 -10.464 -4.024 -3.503 1.00 61.03 C ATOM 1060 CD2 PHE A 66 -8.362 -4.755 -2.624 1.00 22.42 C ATOM 1061 CE1 PHE A 66 -10.977 -3.968 -2.223 1.00 11.11 C ATOM 1062 CE2 PHE A 66 -8.876 -4.703 -1.347 1.00 24.21 C ATOM 1063 CZ PHE A 66 -10.184 -4.309 -1.148 1.00 21.10 C ATOM 0 H PHE A 66 -10.051 -2.561 -5.710 1.00 73.32 H new ATOM 0 HA PHE A 66 -7.382 -2.706 -4.971 1.00 55.15 H new ATOM 0 HB2 PHE A 66 -9.366 -4.865 -5.805 1.00 52.04 H new ATOM 0 HB3 PHE A 66 -7.782 -5.234 -5.151 1.00 52.04 H new ATOM 0 HD1 PHE A 66 -11.092 -3.758 -4.341 1.00 61.03 H new ATOM 0 HD2 PHE A 66 -7.337 -5.060 -2.774 1.00 22.42 H new ATOM 0 HE1 PHE A 66 -11.999 -3.657 -2.064 1.00 11.11 H new ATOM 0 HE2 PHE A 66 -8.257 -4.970 -0.503 1.00 24.21 H new ATOM 0 HZ PHE A 66 -10.587 -4.268 -0.147 1.00 21.10 H new ATOM 1073 N GLN A 67 -7.899 -3.387 -8.159 1.00 74.23 N ATOM 1074 CA GLN A 67 -7.245 -3.530 -9.481 1.00 5.00 C ATOM 1075 C GLN A 67 -6.061 -2.550 -9.605 1.00 61.11 C ATOM 1076 O GLN A 67 -4.989 -2.904 -10.105 1.00 73.44 O ATOM 1077 CB GLN A 67 -8.251 -3.253 -10.634 1.00 51.21 C ATOM 1078 CG GLN A 67 -9.532 -4.109 -10.629 1.00 13.12 C ATOM 1079 CD GLN A 67 -9.279 -5.618 -10.716 1.00 24.21 C ATOM 1080 OE1 GLN A 67 -9.190 -6.185 -11.807 1.00 14.52 O ATOM 1081 NE2 GLN A 67 -9.176 -6.286 -9.572 1.00 74.53 N ATOM 0 H GLN A 67 -8.906 -3.233 -8.218 1.00 74.23 H new ATOM 0 HA GLN A 67 -6.884 -4.555 -9.560 1.00 5.00 H new ATOM 0 HB2 GLN A 67 -8.539 -2.202 -10.594 1.00 51.21 H new ATOM 0 HB3 GLN A 67 -7.738 -3.407 -11.583 1.00 51.21 H new ATOM 0 HG2 GLN A 67 -10.093 -3.898 -9.719 1.00 13.12 H new ATOM 0 HG3 GLN A 67 -10.160 -3.808 -11.468 1.00 13.12 H new ATOM 0 HE21 GLN A 67 -9.254 -5.791 -8.684 1.00 74.53 H new ATOM 0 HE22 GLN A 67 -9.019 -7.294 -9.582 1.00 74.53 H new ATOM 1090 N LEU A 68 -6.279 -1.318 -9.102 1.00 24.41 N ATOM 1091 CA LEU A 68 -5.264 -0.260 -9.114 1.00 44.21 C ATOM 1092 C LEU A 68 -4.262 -0.498 -7.978 1.00 15.32 C ATOM 1093 O LEU A 68 -3.068 -0.442 -8.204 1.00 63.23 O ATOM 1094 CB LEU A 68 -5.918 1.144 -8.993 1.00 61.22 C ATOM 1095 CG LEU A 68 -7.040 1.467 -10.028 1.00 10.23 C ATOM 1096 CD1 LEU A 68 -7.484 2.940 -9.924 1.00 71.04 C ATOM 1097 CD2 LEU A 68 -6.613 1.091 -11.465 1.00 41.31 C ATOM 0 H LEU A 68 -7.163 -1.035 -8.679 1.00 24.41 H new ATOM 0 HA LEU A 68 -4.735 -0.291 -10.066 1.00 44.21 H new ATOM 0 HB2 LEU A 68 -6.336 1.243 -7.991 1.00 61.22 H new ATOM 0 HB3 LEU A 68 -5.136 1.897 -9.088 1.00 61.22 H new ATOM 0 HG LEU A 68 -7.905 0.850 -9.785 1.00 10.23 H new ATOM 0 HD11 LEU A 68 -8.267 3.137 -10.657 1.00 71.04 H new ATOM 0 HD12 LEU A 68 -7.868 3.135 -8.922 1.00 71.04 H new ATOM 0 HD13 LEU A 68 -6.632 3.591 -10.119 1.00 71.04 H new ATOM 0 HD21 LEU A 68 -7.419 1.330 -12.158 1.00 41.31 H new ATOM 0 HD22 LEU A 68 -5.720 1.654 -11.738 1.00 41.31 H new ATOM 0 HD23 LEU A 68 -6.398 0.024 -11.513 1.00 41.31 H new ATOM 1109 N ALA A 69 -4.786 -0.844 -6.782 1.00 55.34 N ATOM 1110 CA ALA A 69 -3.975 -1.077 -5.559 1.00 2.52 C ATOM 1111 C ALA A 69 -2.898 -2.164 -5.761 1.00 52.41 C ATOM 1112 O ALA A 69 -1.829 -2.107 -5.140 1.00 40.25 O ATOM 1113 CB ALA A 69 -4.889 -1.447 -4.382 1.00 12.31 C ATOM 0 H ALA A 69 -5.787 -0.971 -6.633 1.00 55.34 H new ATOM 0 HA ALA A 69 -3.452 -0.147 -5.338 1.00 2.52 H new ATOM 0 HB1 ALA A 69 -4.284 -1.616 -3.491 1.00 12.31 H new ATOM 0 HB2 ALA A 69 -5.590 -0.633 -4.196 1.00 12.31 H new ATOM 0 HB3 ALA A 69 -5.442 -2.355 -4.622 1.00 12.31 H new ATOM 1119 N LEU A 70 -3.202 -3.146 -6.633 1.00 34.00 N ATOM 1120 CA LEU A 70 -2.243 -4.182 -7.043 1.00 72.04 C ATOM 1121 C LEU A 70 -1.079 -3.534 -7.821 1.00 24.11 C ATOM 1122 O LEU A 70 0.041 -3.440 -7.316 1.00 61.54 O ATOM 1123 CB LEU A 70 -2.960 -5.244 -7.929 1.00 14.52 C ATOM 1124 CG LEU A 70 -4.096 -6.073 -7.251 1.00 4.45 C ATOM 1125 CD1 LEU A 70 -4.986 -6.749 -8.312 1.00 40.43 C ATOM 1126 CD2 LEU A 70 -3.535 -7.112 -6.258 1.00 53.31 C ATOM 0 H LEU A 70 -4.119 -3.240 -7.070 1.00 34.00 H new ATOM 0 HA LEU A 70 -1.844 -4.676 -6.157 1.00 72.04 H new ATOM 0 HB2 LEU A 70 -3.381 -4.735 -8.796 1.00 14.52 H new ATOM 0 HB3 LEU A 70 -2.208 -5.939 -8.302 1.00 14.52 H new ATOM 0 HG LEU A 70 -4.710 -5.378 -6.678 1.00 4.45 H new ATOM 0 HD11 LEU A 70 -5.771 -7.321 -7.817 1.00 40.43 H new ATOM 0 HD12 LEU A 70 -5.438 -5.987 -8.947 1.00 40.43 H new ATOM 0 HD13 LEU A 70 -4.380 -7.418 -8.923 1.00 40.43 H new ATOM 0 HD21 LEU A 70 -4.358 -7.667 -5.808 1.00 53.31 H new ATOM 0 HD22 LEU A 70 -2.878 -7.802 -6.786 1.00 53.31 H new ATOM 0 HD23 LEU A 70 -2.972 -6.601 -5.477 1.00 53.31 H new ATOM 1138 N LYS A 71 -1.403 -2.996 -9.014 1.00 53.12 N ATOM 1139 CA LYS A 71 -0.402 -2.487 -9.982 1.00 53.25 C ATOM 1140 C LYS A 71 0.357 -1.249 -9.453 1.00 44.11 C ATOM 1141 O LYS A 71 1.498 -0.987 -9.866 1.00 42.34 O ATOM 1142 CB LYS A 71 -1.092 -2.168 -11.342 1.00 41.23 C ATOM 1143 CG LYS A 71 -2.155 -1.043 -11.291 1.00 71.25 C ATOM 1144 CD LYS A 71 -2.903 -0.831 -12.634 1.00 3.03 C ATOM 1145 CE LYS A 71 -1.978 -0.405 -13.787 1.00 74.12 C ATOM 1146 NZ LYS A 71 -2.730 -0.173 -15.056 1.00 52.21 N ATOM 0 H LYS A 71 -2.366 -2.901 -9.337 1.00 53.12 H new ATOM 0 HA LYS A 71 0.341 -3.272 -10.127 1.00 53.25 H new ATOM 0 HB2 LYS A 71 -0.325 -1.889 -12.064 1.00 41.23 H new ATOM 0 HB3 LYS A 71 -1.565 -3.077 -11.714 1.00 41.23 H new ATOM 0 HG2 LYS A 71 -2.882 -1.277 -10.513 1.00 71.25 H new ATOM 0 HG3 LYS A 71 -1.670 -0.110 -11.004 1.00 71.25 H new ATOM 0 HD2 LYS A 71 -3.411 -1.755 -12.908 1.00 3.03 H new ATOM 0 HD3 LYS A 71 -3.673 -0.072 -12.497 1.00 3.03 H new ATOM 0 HE2 LYS A 71 -1.449 0.506 -13.508 1.00 74.12 H new ATOM 0 HE3 LYS A 71 -1.224 -1.175 -13.949 1.00 74.12 H new ATOM 0 HZ1 LYS A 71 -2.067 0.112 -15.805 1.00 52.21 H new ATOM 0 HZ2 LYS A 71 -3.215 -1.049 -15.337 1.00 52.21 H new ATOM 0 HZ3 LYS A 71 -3.433 0.580 -14.911 1.00 52.21 H new ATOM 1160 N ASP A 72 -0.275 -0.532 -8.516 1.00 43.41 N ATOM 1161 CA ASP A 72 0.235 0.735 -7.963 1.00 74.25 C ATOM 1162 C ASP A 72 1.357 0.464 -6.959 1.00 33.43 C ATOM 1163 O ASP A 72 2.309 1.240 -6.857 1.00 64.22 O ATOM 1164 CB ASP A 72 -0.932 1.530 -7.304 1.00 53.22 C ATOM 1165 CG ASP A 72 -0.662 3.034 -7.194 1.00 1.21 C ATOM 1166 OD1 ASP A 72 -0.287 3.643 -8.229 1.00 40.54 O ATOM 1167 OD2 ASP A 72 -0.848 3.621 -6.106 1.00 43.22 O ATOM 0 H ASP A 72 -1.168 -0.817 -8.113 1.00 43.41 H new ATOM 0 HA ASP A 72 0.650 1.339 -8.770 1.00 74.25 H new ATOM 0 HB2 ASP A 72 -1.841 1.374 -7.885 1.00 53.22 H new ATOM 0 HB3 ASP A 72 -1.117 1.128 -6.308 1.00 53.22 H new ATOM 1172 N CYS A 73 1.233 -0.658 -6.221 1.00 32.12 N ATOM 1173 CA CYS A 73 2.295 -1.134 -5.322 1.00 73.02 C ATOM 1174 C CYS A 73 3.357 -1.920 -6.130 1.00 22.52 C ATOM 1175 O CYS A 73 4.549 -1.823 -5.852 1.00 62.21 O ATOM 1176 CB CYS A 73 1.710 -1.994 -4.177 1.00 31.01 C ATOM 1177 SG CYS A 73 1.047 -3.599 -4.671 1.00 12.53 S ATOM 0 H CYS A 73 0.403 -1.251 -6.233 1.00 32.12 H new ATOM 0 HA CYS A 73 2.779 -0.271 -4.864 1.00 73.02 H new ATOM 0 HB2 CYS A 73 2.490 -2.156 -3.433 1.00 31.01 H new ATOM 0 HB3 CYS A 73 0.917 -1.427 -3.689 1.00 31.01 H new ATOM 0 HG CYS A 73 0.860 -3.614 -5.957 1.00 12.53 H new ATOM 1183 N GLU A 74 2.911 -2.665 -7.169 1.00 40.35 N ATOM 1184 CA GLU A 74 3.807 -3.492 -8.026 1.00 4.42 C ATOM 1185 C GLU A 74 4.882 -2.647 -8.751 1.00 73.21 C ATOM 1186 O GLU A 74 5.975 -3.144 -9.026 1.00 34.22 O ATOM 1187 CB GLU A 74 2.980 -4.301 -9.062 1.00 25.51 C ATOM 1188 CG GLU A 74 2.131 -5.449 -8.474 1.00 2.10 C ATOM 1189 CD GLU A 74 1.308 -6.187 -9.548 1.00 42.12 C ATOM 1190 OE1 GLU A 74 1.897 -6.965 -10.334 1.00 0.13 O ATOM 1191 OE2 GLU A 74 0.080 -5.998 -9.629 1.00 63.30 O ATOM 0 H GLU A 74 1.929 -2.713 -7.439 1.00 40.35 H new ATOM 0 HA GLU A 74 4.328 -4.180 -7.361 1.00 4.42 H new ATOM 0 HB2 GLU A 74 2.318 -3.615 -9.590 1.00 25.51 H new ATOM 0 HB3 GLU A 74 3.663 -4.718 -9.802 1.00 25.51 H new ATOM 0 HG2 GLU A 74 2.786 -6.160 -7.971 1.00 2.10 H new ATOM 0 HG3 GLU A 74 1.457 -5.047 -7.718 1.00 2.10 H new ATOM 1198 N GLU A 75 4.568 -1.380 -9.068 1.00 74.21 N ATOM 1199 CA GLU A 75 5.531 -0.476 -9.729 1.00 34.23 C ATOM 1200 C GLU A 75 6.535 0.117 -8.718 1.00 22.12 C ATOM 1201 O GLU A 75 7.677 0.432 -9.080 1.00 4.12 O ATOM 1202 CB GLU A 75 4.791 0.633 -10.510 1.00 64.31 C ATOM 1203 CG GLU A 75 3.938 1.591 -9.654 1.00 71.04 C ATOM 1204 CD GLU A 75 3.349 2.750 -10.475 1.00 51.23 C ATOM 1205 OE1 GLU A 75 4.090 3.721 -10.761 1.00 5.11 O ATOM 1206 OE2 GLU A 75 2.166 2.682 -10.882 1.00 11.52 O ATOM 0 H GLU A 75 3.659 -0.957 -8.879 1.00 74.21 H new ATOM 0 HA GLU A 75 6.107 -1.063 -10.445 1.00 34.23 H new ATOM 0 HB2 GLU A 75 5.528 1.221 -11.058 1.00 64.31 H new ATOM 0 HB3 GLU A 75 4.145 0.162 -11.251 1.00 64.31 H new ATOM 0 HG2 GLU A 75 3.127 1.032 -9.188 1.00 71.04 H new ATOM 0 HG3 GLU A 75 4.550 1.996 -8.848 1.00 71.04 H new ATOM 1213 N CYS A 76 6.115 0.218 -7.436 1.00 14.21 N ATOM 1214 CA CYS A 76 6.957 0.756 -6.338 1.00 0.33 C ATOM 1215 C CYS A 76 8.234 -0.082 -6.127 1.00 52.13 C ATOM 1216 O CYS A 76 9.232 0.426 -5.623 1.00 42.51 O ATOM 1217 CB CYS A 76 6.164 0.808 -5.019 1.00 52.12 C ATOM 1218 SG CYS A 76 4.581 1.640 -5.130 1.00 11.24 S ATOM 0 H CYS A 76 5.185 -0.070 -7.132 1.00 14.21 H new ATOM 0 HA CYS A 76 7.250 1.764 -6.631 1.00 0.33 H new ATOM 0 HB2 CYS A 76 6.000 -0.211 -4.669 1.00 52.12 H new ATOM 0 HB3 CYS A 76 6.771 1.310 -4.265 1.00 52.12 H new ATOM 0 HG CYS A 76 3.873 1.101 -6.078 1.00 11.24 H new ATOM 1224 N ILE A 77 8.173 -1.373 -6.526 1.00 22.44 N ATOM 1225 CA ILE A 77 9.308 -2.320 -6.426 1.00 3.51 C ATOM 1226 C ILE A 77 10.491 -1.841 -7.308 1.00 2.44 C ATOM 1227 O ILE A 77 11.657 -2.080 -6.987 1.00 72.04 O ATOM 1228 CB ILE A 77 8.824 -3.798 -6.794 1.00 12.51 C ATOM 1229 CG1 ILE A 77 9.568 -4.915 -5.975 1.00 34.14 C ATOM 1230 CG2 ILE A 77 8.907 -4.087 -8.315 1.00 4.33 C ATOM 1231 CD1 ILE A 77 11.010 -5.192 -6.362 1.00 60.31 C ATOM 0 H ILE A 77 7.333 -1.789 -6.928 1.00 22.44 H new ATOM 0 HA ILE A 77 9.671 -2.347 -5.399 1.00 3.51 H new ATOM 0 HB ILE A 77 7.774 -3.833 -6.503 1.00 12.51 H new ATOM 0 HG12 ILE A 77 9.545 -4.638 -4.921 1.00 34.14 H new ATOM 0 HG13 ILE A 77 9.004 -5.843 -6.073 1.00 34.14 H new ATOM 0 HG21 ILE A 77 8.567 -5.104 -8.511 1.00 4.33 H new ATOM 0 HG22 ILE A 77 8.274 -3.382 -8.854 1.00 4.33 H new ATOM 0 HG23 ILE A 77 9.938 -3.978 -8.650 1.00 4.33 H new ATOM 0 HD11 ILE A 77 11.412 -5.981 -5.726 1.00 60.31 H new ATOM 0 HD12 ILE A 77 11.053 -5.509 -7.404 1.00 60.31 H new ATOM 0 HD13 ILE A 77 11.602 -4.286 -6.234 1.00 60.31 H new ATOM 1243 N GLN A 78 10.162 -1.110 -8.394 1.00 21.15 N ATOM 1244 CA GLN A 78 11.154 -0.582 -9.352 1.00 70.01 C ATOM 1245 C GLN A 78 11.941 0.598 -8.745 1.00 54.40 C ATOM 1246 O GLN A 78 13.086 0.853 -9.132 1.00 62.01 O ATOM 1247 CB GLN A 78 10.429 -0.143 -10.659 1.00 73.44 C ATOM 1248 CG GLN A 78 9.667 -1.280 -11.378 1.00 44.33 C ATOM 1249 CD GLN A 78 10.592 -2.366 -11.943 1.00 54.25 C ATOM 1250 OE1 GLN A 78 11.030 -2.291 -13.092 1.00 1.13 O ATOM 1251 NE2 GLN A 78 10.908 -3.367 -11.139 1.00 23.42 N ATOM 0 H GLN A 78 9.199 -0.869 -8.631 1.00 21.15 H new ATOM 0 HA GLN A 78 11.871 -1.370 -9.584 1.00 70.01 H new ATOM 0 HB2 GLN A 78 9.726 0.655 -10.420 1.00 73.44 H new ATOM 0 HB3 GLN A 78 11.165 0.276 -11.345 1.00 73.44 H new ATOM 0 HG2 GLN A 78 8.966 -1.737 -10.680 1.00 44.33 H new ATOM 0 HG3 GLN A 78 9.077 -0.856 -12.190 1.00 44.33 H new ATOM 0 HE21 GLN A 78 10.529 -3.400 -10.193 1.00 23.42 H new ATOM 0 HE22 GLN A 78 11.531 -4.106 -11.465 1.00 23.42 H new ATOM 1260 N LEU A 79 11.308 1.300 -7.794 1.00 61.23 N ATOM 1261 CA LEU A 79 11.874 2.495 -7.137 1.00 73.23 C ATOM 1262 C LEU A 79 12.638 2.100 -5.860 1.00 2.00 C ATOM 1263 O LEU A 79 13.800 2.474 -5.672 1.00 0.22 O ATOM 1264 CB LEU A 79 10.713 3.471 -6.807 1.00 20.11 C ATOM 1265 CG LEU A 79 9.833 3.898 -8.022 1.00 72.31 C ATOM 1266 CD1 LEU A 79 8.609 4.720 -7.568 1.00 12.20 C ATOM 1267 CD2 LEU A 79 10.669 4.657 -9.078 1.00 62.34 C ATOM 0 H LEU A 79 10.379 1.054 -7.453 1.00 61.23 H new ATOM 0 HA LEU A 79 12.584 2.984 -7.804 1.00 73.23 H new ATOM 0 HB2 LEU A 79 10.070 3.005 -6.060 1.00 20.11 H new ATOM 0 HB3 LEU A 79 11.133 4.368 -6.351 1.00 20.11 H new ATOM 0 HG LEU A 79 9.456 2.991 -8.494 1.00 72.31 H new ATOM 0 HD11 LEU A 79 8.017 5.002 -8.439 1.00 12.20 H new ATOM 0 HD12 LEU A 79 7.999 4.121 -6.892 1.00 12.20 H new ATOM 0 HD13 LEU A 79 8.946 5.619 -7.052 1.00 12.20 H new ATOM 0 HD21 LEU A 79 10.029 4.942 -9.913 1.00 62.34 H new ATOM 0 HD22 LEU A 79 11.098 5.552 -8.628 1.00 62.34 H new ATOM 0 HD23 LEU A 79 11.471 4.013 -9.439 1.00 62.34 H new ATOM 1279 N GLU A 80 11.962 1.333 -4.998 1.00 23.21 N ATOM 1280 CA GLU A 80 12.500 0.849 -3.721 1.00 43.23 C ATOM 1281 C GLU A 80 11.846 -0.506 -3.390 1.00 13.03 C ATOM 1282 O GLU A 80 10.671 -0.531 -3.044 1.00 65.12 O ATOM 1283 CB GLU A 80 12.237 1.867 -2.570 1.00 10.14 C ATOM 1284 CG GLU A 80 12.673 1.369 -1.172 1.00 2.13 C ATOM 1285 CD GLU A 80 12.244 2.300 -0.030 1.00 3.33 C ATOM 1286 OE1 GLU A 80 11.030 2.372 0.256 1.00 14.33 O ATOM 1287 OE2 GLU A 80 13.110 2.974 0.576 1.00 13.11 O ATOM 0 H GLU A 80 11.005 1.025 -5.172 1.00 23.21 H new ATOM 0 HA GLU A 80 13.580 0.733 -3.815 1.00 43.23 H new ATOM 0 HB2 GLU A 80 12.763 2.795 -2.793 1.00 10.14 H new ATOM 0 HB3 GLU A 80 11.173 2.102 -2.544 1.00 10.14 H new ATOM 0 HG2 GLU A 80 12.252 0.378 -1.000 1.00 2.13 H new ATOM 0 HG3 GLU A 80 13.758 1.262 -1.155 1.00 2.13 H new ATOM 1294 N PRO A 81 12.582 -1.654 -3.530 1.00 71.01 N ATOM 1295 CA PRO A 81 12.034 -3.021 -3.250 1.00 70.41 C ATOM 1296 C PRO A 81 11.611 -3.252 -1.776 1.00 75.12 C ATOM 1297 O PRO A 81 10.828 -4.171 -1.493 1.00 10.21 O ATOM 1298 CB PRO A 81 13.204 -3.962 -3.652 1.00 12.31 C ATOM 1299 CG PRO A 81 14.434 -3.110 -3.575 1.00 44.44 C ATOM 1300 CD PRO A 81 13.998 -1.723 -3.982 1.00 71.51 C ATOM 0 HA PRO A 81 11.110 -3.193 -3.802 1.00 70.41 H new ATOM 0 HB2 PRO A 81 13.273 -4.816 -2.978 1.00 12.31 H new ATOM 0 HB3 PRO A 81 13.062 -4.360 -4.657 1.00 12.31 H new ATOM 0 HG2 PRO A 81 14.847 -3.110 -2.566 1.00 44.44 H new ATOM 0 HG3 PRO A 81 15.213 -3.486 -4.239 1.00 44.44 H new ATOM 0 HD2 PRO A 81 14.608 -0.955 -3.506 1.00 71.51 H new ATOM 0 HD3 PRO A 81 14.083 -1.576 -5.059 1.00 71.51 H new ATOM 1308 N THR A 82 12.128 -2.427 -0.845 1.00 1.34 N ATOM 1309 CA THR A 82 11.834 -2.554 0.599 1.00 24.55 C ATOM 1310 C THR A 82 10.595 -1.741 1.032 1.00 42.54 C ATOM 1311 O THR A 82 10.390 -1.534 2.232 1.00 1.24 O ATOM 1312 CB THR A 82 13.085 -2.144 1.455 1.00 11.35 C ATOM 1313 OG1 THR A 82 13.655 -0.931 0.934 1.00 43.34 O ATOM 1314 CG2 THR A 82 14.156 -3.250 1.479 1.00 65.23 C ATOM 0 H THR A 82 12.758 -1.657 -1.069 1.00 1.34 H new ATOM 0 HA THR A 82 11.602 -3.604 0.780 1.00 24.55 H new ATOM 0 HB THR A 82 12.746 -1.988 2.479 1.00 11.35 H new ATOM 0 HG1 THR A 82 14.434 -0.678 1.472 1.00 43.34 H new ATOM 0 HG21 THR A 82 15.003 -2.923 2.082 1.00 65.23 H new ATOM 0 HG22 THR A 82 13.732 -4.157 1.909 1.00 65.23 H new ATOM 0 HG23 THR A 82 14.492 -3.453 0.462 1.00 65.23 H new ATOM 1322 N PHE A 83 9.761 -1.305 0.069 1.00 63.44 N ATOM 1323 CA PHE A 83 8.489 -0.616 0.371 1.00 51.54 C ATOM 1324 C PHE A 83 7.537 -1.596 1.124 1.00 60.23 C ATOM 1325 O PHE A 83 7.053 -2.570 0.558 1.00 51.45 O ATOM 1326 CB PHE A 83 7.847 -0.048 -0.933 1.00 60.13 C ATOM 1327 CG PHE A 83 7.289 -1.103 -1.902 1.00 24.13 C ATOM 1328 CD1 PHE A 83 8.123 -1.957 -2.614 1.00 10.23 C ATOM 1329 CD2 PHE A 83 5.921 -1.253 -2.077 1.00 4.44 C ATOM 1330 CE1 PHE A 83 7.614 -2.914 -3.460 1.00 64.42 C ATOM 1331 CE2 PHE A 83 5.413 -2.218 -2.927 1.00 72.23 C ATOM 1332 CZ PHE A 83 6.259 -3.045 -3.621 1.00 42.11 C ATOM 0 H PHE A 83 9.945 -1.418 -0.928 1.00 63.44 H new ATOM 0 HA PHE A 83 8.677 0.238 1.022 1.00 51.54 H new ATOM 0 HB2 PHE A 83 7.040 0.630 -0.656 1.00 60.13 H new ATOM 0 HB3 PHE A 83 8.595 0.545 -1.459 1.00 60.13 H new ATOM 0 HD1 PHE A 83 9.193 -1.867 -2.500 1.00 10.23 H new ATOM 0 HD2 PHE A 83 5.242 -0.606 -1.541 1.00 4.44 H new ATOM 0 HE1 PHE A 83 8.285 -3.566 -4.000 1.00 64.42 H new ATOM 0 HE2 PHE A 83 4.344 -2.321 -3.045 1.00 72.23 H new ATOM 0 HZ PHE A 83 5.861 -3.794 -4.289 1.00 42.11 H new ATOM 1342 N ILE A 84 7.315 -1.353 2.416 1.00 23.24 N ATOM 1343 CA ILE A 84 6.619 -2.319 3.296 1.00 13.22 C ATOM 1344 C ILE A 84 5.094 -2.231 3.130 1.00 52.22 C ATOM 1345 O ILE A 84 4.425 -3.262 3.031 1.00 12.14 O ATOM 1346 CB ILE A 84 7.033 -2.124 4.803 1.00 15.22 C ATOM 1347 CG1 ILE A 84 8.567 -2.363 4.970 1.00 4.21 C ATOM 1348 CG2 ILE A 84 6.221 -3.045 5.745 1.00 43.03 C ATOM 1349 CD1 ILE A 84 9.075 -2.320 6.397 1.00 33.33 C ATOM 0 H ILE A 84 7.604 -0.496 2.886 1.00 23.24 H new ATOM 0 HA ILE A 84 6.930 -3.318 2.991 1.00 13.22 H new ATOM 0 HB ILE A 84 6.804 -1.097 5.087 1.00 15.22 H new ATOM 0 HG12 ILE A 84 8.816 -3.334 4.542 1.00 4.21 H new ATOM 0 HG13 ILE A 84 9.101 -1.612 4.388 1.00 4.21 H new ATOM 0 HG21 ILE A 84 6.536 -2.880 6.775 1.00 43.03 H new ATOM 0 HG22 ILE A 84 5.159 -2.818 5.650 1.00 43.03 H new ATOM 0 HG23 ILE A 84 6.395 -4.086 5.474 1.00 43.03 H new ATOM 0 HD11 ILE A 84 10.150 -2.497 6.406 1.00 33.33 H new ATOM 0 HD12 ILE A 84 8.865 -1.341 6.829 1.00 33.33 H new ATOM 0 HD13 ILE A 84 8.576 -3.090 6.984 1.00 33.33 H new ATOM 1361 N LYS A 85 4.562 -0.995 3.080 1.00 33.41 N ATOM 1362 CA LYS A 85 3.102 -0.745 3.007 1.00 75.44 C ATOM 1363 C LYS A 85 2.486 -1.329 1.727 1.00 1.42 C ATOM 1364 O LYS A 85 1.330 -1.758 1.726 1.00 23.34 O ATOM 1365 CB LYS A 85 2.797 0.770 3.120 1.00 51.45 C ATOM 1366 CG LYS A 85 3.302 1.480 4.404 1.00 64.02 C ATOM 1367 CD LYS A 85 2.668 0.967 5.738 1.00 64.12 C ATOM 1368 CE LYS A 85 3.348 -0.288 6.322 1.00 33.21 C ATOM 1369 NZ LYS A 85 2.795 -0.673 7.652 1.00 23.03 N ATOM 0 H LYS A 85 5.124 -0.144 3.089 1.00 33.41 H new ATOM 0 HA LYS A 85 2.642 -1.255 3.853 1.00 75.44 H new ATOM 0 HB2 LYS A 85 3.234 1.272 2.257 1.00 51.45 H new ATOM 0 HB3 LYS A 85 1.718 0.907 3.055 1.00 51.45 H new ATOM 0 HG2 LYS A 85 4.384 1.361 4.465 1.00 64.02 H new ATOM 0 HG3 LYS A 85 3.103 2.548 4.312 1.00 64.02 H new ATOM 0 HD2 LYS A 85 2.710 1.766 6.478 1.00 64.12 H new ATOM 0 HD3 LYS A 85 1.614 0.748 5.565 1.00 64.12 H new ATOM 0 HE2 LYS A 85 3.226 -1.119 5.628 1.00 33.21 H new ATOM 0 HE3 LYS A 85 4.419 -0.106 6.417 1.00 33.21 H new ATOM 0 HZ1 LYS A 85 3.342 -1.469 8.038 1.00 23.03 H new ATOM 0 HZ2 LYS A 85 2.857 0.137 8.301 1.00 23.03 H new ATOM 0 HZ3 LYS A 85 1.800 -0.956 7.546 1.00 23.03 H new ATOM 1383 N GLY A 86 3.283 -1.367 0.646 1.00 63.54 N ATOM 1384 CA GLY A 86 2.855 -1.994 -0.592 1.00 61.32 C ATOM 1385 C GLY A 86 2.698 -3.503 -0.453 1.00 55.53 C ATOM 1386 O GLY A 86 1.717 -4.042 -0.925 1.00 55.40 O ATOM 0 H GLY A 86 4.222 -0.969 0.615 1.00 63.54 H new ATOM 0 HA2 GLY A 86 1.906 -1.560 -0.907 1.00 61.32 H new ATOM 0 HA3 GLY A 86 3.581 -1.777 -1.376 1.00 61.32 H new ATOM 1390 N TYR A 87 3.667 -4.169 0.215 1.00 62.25 N ATOM 1391 CA TYR A 87 3.576 -5.618 0.538 1.00 1.41 C ATOM 1392 C TYR A 87 2.360 -5.916 1.445 1.00 44.34 C ATOM 1393 O TYR A 87 1.651 -6.901 1.234 1.00 4.40 O ATOM 1394 CB TYR A 87 4.868 -6.120 1.242 1.00 12.22 C ATOM 1395 CG TYR A 87 6.079 -6.356 0.330 1.00 21.50 C ATOM 1396 CD1 TYR A 87 6.603 -5.339 -0.460 1.00 23.11 C ATOM 1397 CD2 TYR A 87 6.715 -7.600 0.281 1.00 1.23 C ATOM 1398 CE1 TYR A 87 7.708 -5.547 -1.260 1.00 52.15 C ATOM 1399 CE2 TYR A 87 7.825 -7.808 -0.515 1.00 12.22 C ATOM 1400 CZ TYR A 87 8.319 -6.775 -1.285 1.00 65.12 C ATOM 1401 OH TYR A 87 9.436 -6.966 -2.074 1.00 1.33 O ATOM 0 H TYR A 87 4.526 -3.727 0.544 1.00 62.25 H new ATOM 0 HA TYR A 87 3.454 -6.146 -0.408 1.00 1.41 H new ATOM 0 HB2 TYR A 87 5.148 -5.394 2.005 1.00 12.22 H new ATOM 0 HB3 TYR A 87 4.639 -7.052 1.758 1.00 12.22 H new ATOM 0 HD1 TYR A 87 6.135 -4.366 -0.447 1.00 23.11 H new ATOM 0 HD2 TYR A 87 6.331 -8.415 0.877 1.00 1.23 H new ATOM 0 HE1 TYR A 87 8.093 -4.741 -1.868 1.00 52.15 H new ATOM 0 HE2 TYR A 87 8.304 -8.776 -0.534 1.00 12.22 H new ATOM 0 HH TYR A 87 10.004 -6.168 -2.036 1.00 1.33 H new ATOM 1411 N THR A 88 2.139 -5.046 2.445 1.00 42.40 N ATOM 1412 CA THR A 88 1.072 -5.206 3.446 1.00 42.13 C ATOM 1413 C THR A 88 -0.322 -5.168 2.766 1.00 4.02 C ATOM 1414 O THR A 88 -1.185 -6.022 3.019 1.00 71.10 O ATOM 1415 CB THR A 88 1.182 -4.083 4.541 1.00 21.10 C ATOM 1416 OG1 THR A 88 2.548 -3.943 4.973 1.00 42.33 O ATOM 1417 CG2 THR A 88 0.316 -4.382 5.771 1.00 31.21 C ATOM 0 H THR A 88 2.701 -4.206 2.582 1.00 42.40 H new ATOM 0 HA THR A 88 1.191 -6.176 3.929 1.00 42.13 H new ATOM 0 HB THR A 88 0.825 -3.162 4.081 1.00 21.10 H new ATOM 0 HG1 THR A 88 3.081 -3.553 4.250 1.00 42.33 H new ATOM 0 HG21 THR A 88 0.426 -3.577 6.498 1.00 31.21 H new ATOM 0 HG22 THR A 88 -0.729 -4.459 5.470 1.00 31.21 H new ATOM 0 HG23 THR A 88 0.634 -5.323 6.220 1.00 31.21 H new ATOM 1425 N ARG A 89 -0.490 -4.188 1.856 1.00 41.43 N ATOM 1426 CA ARG A 89 -1.756 -3.952 1.123 1.00 45.43 C ATOM 1427 C ARG A 89 -1.886 -4.890 -0.102 1.00 74.51 C ATOM 1428 O ARG A 89 -3.002 -5.154 -0.547 1.00 24.32 O ATOM 1429 CB ARG A 89 -1.870 -2.449 0.692 1.00 64.42 C ATOM 1430 CG ARG A 89 -2.352 -1.454 1.798 1.00 13.21 C ATOM 1431 CD ARG A 89 -1.501 -1.479 3.086 1.00 11.44 C ATOM 1432 NE ARG A 89 -1.882 -0.437 4.062 1.00 43.21 N ATOM 1433 CZ ARG A 89 -2.043 -0.633 5.381 1.00 62.41 C ATOM 1434 NH1 ARG A 89 -1.875 -1.836 5.922 1.00 41.34 N ATOM 1435 NH2 ARG A 89 -2.362 0.384 6.164 1.00 74.35 N ATOM 0 H ARG A 89 0.251 -3.533 1.606 1.00 41.43 H new ATOM 0 HA ARG A 89 -2.580 -4.181 1.798 1.00 45.43 H new ATOM 0 HB2 ARG A 89 -0.895 -2.119 0.334 1.00 64.42 H new ATOM 0 HB3 ARG A 89 -2.557 -2.385 -0.152 1.00 64.42 H new ATOM 0 HG2 ARG A 89 -2.344 -0.443 1.390 1.00 13.21 H new ATOM 0 HG3 ARG A 89 -3.386 -1.686 2.054 1.00 13.21 H new ATOM 0 HD2 ARG A 89 -1.595 -2.458 3.556 1.00 11.44 H new ATOM 0 HD3 ARG A 89 -0.451 -1.352 2.821 1.00 11.44 H new ATOM 0 HE ARG A 89 -2.035 0.506 3.706 1.00 43.21 H new ATOM 0 HH11 ARG A 89 -1.620 -2.629 5.333 1.00 41.34 H new ATOM 0 HH12 ARG A 89 -2.001 -1.966 6.926 1.00 41.34 H new ATOM 0 HH21 ARG A 89 -2.485 1.315 5.766 1.00 74.35 H new ATOM 0 HH22 ARG A 89 -2.485 0.237 7.166 1.00 74.35 H new ATOM 1449 N LYS A 90 -0.744 -5.384 -0.638 1.00 75.10 N ATOM 1450 CA LYS A 90 -0.722 -6.351 -1.760 1.00 73.41 C ATOM 1451 C LYS A 90 -1.211 -7.711 -1.264 1.00 62.32 C ATOM 1452 O LYS A 90 -1.990 -8.377 -1.932 1.00 60.05 O ATOM 1453 CB LYS A 90 0.712 -6.505 -2.347 1.00 42.44 C ATOM 1454 CG LYS A 90 0.823 -7.470 -3.551 1.00 33.11 C ATOM 1455 CD LYS A 90 0.072 -6.956 -4.803 1.00 63.14 C ATOM 1456 CE LYS A 90 0.098 -7.969 -5.958 1.00 71.55 C ATOM 1457 NZ LYS A 90 1.476 -8.383 -6.339 1.00 44.34 N ATOM 0 H LYS A 90 0.184 -5.124 -0.305 1.00 75.10 H new ATOM 0 HA LYS A 90 -1.376 -5.976 -2.547 1.00 73.41 H new ATOM 0 HB2 LYS A 90 1.071 -5.522 -2.653 1.00 42.44 H new ATOM 0 HB3 LYS A 90 1.377 -6.855 -1.557 1.00 42.44 H new ATOM 0 HG2 LYS A 90 1.875 -7.616 -3.798 1.00 33.11 H new ATOM 0 HG3 LYS A 90 0.424 -8.444 -3.268 1.00 33.11 H new ATOM 0 HD2 LYS A 90 -0.962 -6.737 -4.538 1.00 63.14 H new ATOM 0 HD3 LYS A 90 0.521 -6.020 -5.134 1.00 63.14 H new ATOM 0 HE2 LYS A 90 -0.474 -8.852 -5.673 1.00 71.55 H new ATOM 0 HE3 LYS A 90 -0.398 -7.534 -6.826 1.00 71.55 H new ATOM 0 HZ1 LYS A 90 1.446 -8.900 -7.241 1.00 44.34 H new ATOM 0 HZ2 LYS A 90 2.076 -7.540 -6.443 1.00 44.34 H new ATOM 0 HZ3 LYS A 90 1.870 -8.999 -5.600 1.00 44.34 H new ATOM 1471 N ALA A 91 -0.722 -8.096 -0.084 1.00 32.22 N ATOM 1472 CA ALA A 91 -1.105 -9.335 0.583 1.00 41.13 C ATOM 1473 C ALA A 91 -2.597 -9.304 0.966 1.00 4.42 C ATOM 1474 O ALA A 91 -3.308 -10.296 0.810 1.00 52.32 O ATOM 1475 CB ALA A 91 -0.218 -9.534 1.814 1.00 34.02 C ATOM 0 H ALA A 91 -0.040 -7.547 0.439 1.00 32.22 H new ATOM 0 HA ALA A 91 -0.961 -10.177 -0.095 1.00 41.13 H new ATOM 0 HB1 ALA A 91 -0.498 -10.459 2.319 1.00 34.02 H new ATOM 0 HB2 ALA A 91 0.826 -9.591 1.505 1.00 34.02 H new ATOM 0 HB3 ALA A 91 -0.349 -8.694 2.496 1.00 34.02 H new ATOM 1481 N ALA A 92 -3.053 -8.127 1.437 1.00 44.11 N ATOM 1482 CA ALA A 92 -4.464 -7.878 1.783 1.00 75.32 C ATOM 1483 C ALA A 92 -5.363 -7.867 0.531 1.00 1.32 C ATOM 1484 O ALA A 92 -6.536 -8.262 0.591 1.00 3.14 O ATOM 1485 CB ALA A 92 -4.592 -6.553 2.543 1.00 31.14 C ATOM 0 H ALA A 92 -2.449 -7.319 1.588 1.00 44.11 H new ATOM 0 HA ALA A 92 -4.801 -8.694 2.423 1.00 75.32 H new ATOM 0 HB1 ALA A 92 -5.638 -6.377 2.794 1.00 31.14 H new ATOM 0 HB2 ALA A 92 -4.002 -6.600 3.458 1.00 31.14 H new ATOM 0 HB3 ALA A 92 -4.227 -5.738 1.918 1.00 31.14 H new ATOM 1491 N ALA A 93 -4.803 -7.403 -0.600 1.00 33.14 N ATOM 1492 CA ALA A 93 -5.515 -7.358 -1.888 1.00 43.13 C ATOM 1493 C ALA A 93 -5.677 -8.773 -2.461 1.00 31.05 C ATOM 1494 O ALA A 93 -6.783 -9.173 -2.811 1.00 60.44 O ATOM 1495 CB ALA A 93 -4.793 -6.434 -2.878 1.00 31.23 C ATOM 0 H ALA A 93 -3.847 -7.050 -0.646 1.00 33.14 H new ATOM 0 HA ALA A 93 -6.510 -6.947 -1.720 1.00 43.13 H new ATOM 0 HB1 ALA A 93 -5.337 -6.416 -3.822 1.00 31.23 H new ATOM 0 HB2 ALA A 93 -4.747 -5.426 -2.467 1.00 31.23 H new ATOM 0 HB3 ALA A 93 -3.782 -6.803 -3.049 1.00 31.23 H new ATOM 1501 N LEU A 94 -4.562 -9.533 -2.500 1.00 64.10 N ATOM 1502 CA LEU A 94 -4.545 -10.939 -2.956 1.00 32.13 C ATOM 1503 C LEU A 94 -5.484 -11.807 -2.097 1.00 1.01 C ATOM 1504 O LEU A 94 -6.204 -12.649 -2.629 1.00 72.32 O ATOM 1505 CB LEU A 94 -3.102 -11.515 -2.933 1.00 43.13 C ATOM 1506 CG LEU A 94 -2.125 -10.949 -4.009 1.00 55.11 C ATOM 1507 CD1 LEU A 94 -0.697 -11.502 -3.820 1.00 21.33 C ATOM 1508 CD2 LEU A 94 -2.654 -11.227 -5.437 1.00 53.41 C ATOM 0 H LEU A 94 -3.646 -9.187 -2.215 1.00 64.10 H new ATOM 0 HA LEU A 94 -4.904 -10.959 -3.985 1.00 32.13 H new ATOM 0 HB2 LEU A 94 -2.673 -11.330 -1.948 1.00 43.13 H new ATOM 0 HB3 LEU A 94 -3.161 -12.596 -3.057 1.00 43.13 H new ATOM 0 HG LEU A 94 -2.074 -9.868 -3.877 1.00 55.11 H new ATOM 0 HD11 LEU A 94 -0.042 -11.087 -4.586 1.00 21.33 H new ATOM 0 HD12 LEU A 94 -0.326 -11.221 -2.834 1.00 21.33 H new ATOM 0 HD13 LEU A 94 -0.713 -12.589 -3.906 1.00 21.33 H new ATOM 0 HD21 LEU A 94 -1.955 -10.823 -6.169 1.00 53.41 H new ATOM 0 HD22 LEU A 94 -2.753 -12.302 -5.585 1.00 53.41 H new ATOM 0 HD23 LEU A 94 -3.627 -10.752 -5.563 1.00 53.41 H new ATOM 1520 N GLU A 95 -5.491 -11.544 -0.773 1.00 72.23 N ATOM 1521 CA GLU A 95 -6.449 -12.145 0.180 1.00 41.41 C ATOM 1522 C GLU A 95 -7.901 -11.878 -0.303 1.00 14.03 C ATOM 1523 O GLU A 95 -8.734 -12.784 -0.293 1.00 65.21 O ATOM 1524 CB GLU A 95 -6.171 -11.577 1.616 1.00 34.10 C ATOM 1525 CG GLU A 95 -6.977 -12.177 2.806 1.00 72.20 C ATOM 1526 CD GLU A 95 -8.461 -11.747 2.876 1.00 73.02 C ATOM 1527 OE1 GLU A 95 -8.749 -10.546 2.660 1.00 44.43 O ATOM 1528 OE2 GLU A 95 -9.339 -12.589 3.179 1.00 33.34 O ATOM 0 H GLU A 95 -4.829 -10.905 -0.333 1.00 72.23 H new ATOM 0 HA GLU A 95 -6.323 -13.227 0.226 1.00 41.41 H new ATOM 0 HB2 GLU A 95 -5.110 -11.711 1.829 1.00 34.10 H new ATOM 0 HB3 GLU A 95 -6.358 -10.503 1.593 1.00 34.10 H new ATOM 0 HG2 GLU A 95 -6.932 -13.264 2.743 1.00 72.20 H new ATOM 0 HG3 GLU A 95 -6.488 -11.891 3.737 1.00 72.20 H new ATOM 1535 N ALA A 96 -8.158 -10.653 -0.817 1.00 73.43 N ATOM 1536 CA ALA A 96 -9.492 -10.252 -1.309 1.00 33.32 C ATOM 1537 C ALA A 96 -9.792 -10.871 -2.695 1.00 64.53 C ATOM 1538 O ALA A 96 -10.936 -10.859 -3.147 1.00 41.25 O ATOM 1539 CB ALA A 96 -9.602 -8.713 -1.365 1.00 51.34 C ATOM 0 H ALA A 96 -7.452 -9.922 -0.901 1.00 73.43 H new ATOM 0 HA ALA A 96 -10.237 -10.632 -0.610 1.00 33.32 H new ATOM 0 HB1 ALA A 96 -10.590 -8.432 -1.729 1.00 51.34 H new ATOM 0 HB2 ALA A 96 -9.452 -8.301 -0.367 1.00 51.34 H new ATOM 0 HB3 ALA A 96 -8.841 -8.318 -2.038 1.00 51.34 H new ATOM 1545 N MET A 97 -8.750 -11.410 -3.365 1.00 35.35 N ATOM 1546 CA MET A 97 -8.880 -12.085 -4.681 1.00 43.42 C ATOM 1547 C MET A 97 -8.933 -13.620 -4.484 1.00 33.31 C ATOM 1548 O MET A 97 -8.824 -14.377 -5.456 1.00 4.40 O ATOM 1549 CB MET A 97 -7.680 -11.707 -5.599 1.00 12.23 C ATOM 1550 CG MET A 97 -7.468 -10.208 -5.791 1.00 41.41 C ATOM 1551 SD MET A 97 -8.886 -9.381 -6.536 1.00 51.14 S ATOM 1552 CE MET A 97 -8.286 -7.697 -6.596 1.00 72.20 C ATOM 0 H MET A 97 -7.794 -11.391 -3.011 1.00 35.35 H new ATOM 0 HA MET A 97 -9.804 -11.755 -5.157 1.00 43.42 H new ATOM 0 HB2 MET A 97 -6.771 -12.137 -5.180 1.00 12.23 H new ATOM 0 HB3 MET A 97 -7.829 -12.167 -6.576 1.00 12.23 H new ATOM 0 HG2 MET A 97 -7.255 -9.751 -4.825 1.00 41.41 H new ATOM 0 HG3 MET A 97 -6.591 -10.049 -6.419 1.00 41.41 H new ATOM 0 HE1 MET A 97 -9.098 -7.012 -6.351 1.00 72.20 H new ATOM 0 HE2 MET A 97 -7.477 -7.573 -5.876 1.00 72.20 H new ATOM 0 HE3 MET A 97 -7.917 -7.478 -7.598 1.00 72.20 H new ATOM 1562 N LYS A 98 -9.066 -14.050 -3.201 1.00 51.31 N ATOM 1563 CA LYS A 98 -9.100 -15.473 -2.767 1.00 24.04 C ATOM 1564 C LYS A 98 -7.731 -16.165 -2.921 1.00 1.31 C ATOM 1565 O LYS A 98 -7.610 -17.369 -2.690 1.00 24.31 O ATOM 1566 CB LYS A 98 -10.223 -16.275 -3.511 1.00 63.42 C ATOM 1567 CG LYS A 98 -11.658 -15.719 -3.313 1.00 45.42 C ATOM 1568 CD LYS A 98 -12.145 -15.791 -1.847 1.00 52.03 C ATOM 1569 CE LYS A 98 -12.197 -17.231 -1.301 1.00 33.40 C ATOM 1570 NZ LYS A 98 -13.142 -18.093 -2.055 1.00 64.42 N ATOM 0 H LYS A 98 -9.155 -13.400 -2.420 1.00 51.31 H new ATOM 0 HA LYS A 98 -9.339 -15.468 -1.704 1.00 24.04 H new ATOM 0 HB2 LYS A 98 -9.997 -16.286 -4.577 1.00 63.42 H new ATOM 0 HB3 LYS A 98 -10.199 -17.310 -3.169 1.00 63.42 H new ATOM 0 HG2 LYS A 98 -11.688 -14.682 -3.648 1.00 45.42 H new ATOM 0 HG3 LYS A 98 -12.347 -16.278 -3.945 1.00 45.42 H new ATOM 0 HD2 LYS A 98 -11.483 -15.194 -1.220 1.00 52.03 H new ATOM 0 HD3 LYS A 98 -13.137 -15.346 -1.777 1.00 52.03 H new ATOM 0 HE2 LYS A 98 -11.199 -17.668 -1.343 1.00 33.40 H new ATOM 0 HE3 LYS A 98 -12.490 -17.207 -0.252 1.00 33.40 H new ATOM 0 HZ1 LYS A 98 -13.177 -19.035 -1.617 1.00 64.42 H new ATOM 0 HZ2 LYS A 98 -14.091 -17.667 -2.037 1.00 64.42 H new ATOM 0 HZ3 LYS A 98 -12.821 -18.181 -3.040 1.00 64.42 H new ATOM 1584 N ASP A 99 -6.689 -15.381 -3.247 1.00 23.41 N ATOM 1585 CA ASP A 99 -5.321 -15.878 -3.501 1.00 30.02 C ATOM 1586 C ASP A 99 -4.509 -15.937 -2.205 1.00 23.34 C ATOM 1587 O ASP A 99 -3.375 -15.472 -2.159 1.00 3.03 O ATOM 1588 CB ASP A 99 -4.601 -14.966 -4.538 1.00 75.03 C ATOM 1589 CG ASP A 99 -5.134 -15.136 -5.960 1.00 4.15 C ATOM 1590 OD1 ASP A 99 -4.862 -16.187 -6.580 1.00 55.23 O ATOM 1591 OD2 ASP A 99 -5.825 -14.238 -6.468 1.00 30.01 O ATOM 0 H ASP A 99 -6.772 -14.369 -3.343 1.00 23.41 H new ATOM 0 HA ASP A 99 -5.398 -16.888 -3.904 1.00 30.02 H new ATOM 0 HB2 ASP A 99 -4.714 -13.925 -4.237 1.00 75.03 H new ATOM 0 HB3 ASP A 99 -3.534 -15.187 -4.528 1.00 75.03 H new ATOM 1596 N TYR A 100 -5.097 -16.536 -1.164 1.00 20.32 N ATOM 1597 CA TYR A 100 -4.458 -16.721 0.158 1.00 14.41 C ATOM 1598 C TYR A 100 -3.077 -17.395 0.051 1.00 41.43 C ATOM 1599 O TYR A 100 -2.144 -17.034 0.776 1.00 22.25 O ATOM 1600 CB TYR A 100 -5.380 -17.568 1.058 1.00 41.02 C ATOM 1601 CG TYR A 100 -6.827 -17.063 1.095 1.00 64.32 C ATOM 1602 CD1 TYR A 100 -7.113 -15.745 1.430 1.00 43.22 C ATOM 1603 CD2 TYR A 100 -7.900 -17.897 0.780 1.00 61.13 C ATOM 1604 CE1 TYR A 100 -8.408 -15.289 1.453 1.00 22.24 C ATOM 1605 CE2 TYR A 100 -9.196 -17.437 0.804 1.00 55.33 C ATOM 1606 CZ TYR A 100 -9.446 -16.131 1.142 1.00 32.21 C ATOM 1607 OH TYR A 100 -10.741 -15.670 1.189 1.00 72.10 O ATOM 0 H TYR A 100 -6.043 -16.914 -1.209 1.00 20.32 H new ATOM 0 HA TYR A 100 -4.305 -15.733 0.592 1.00 14.41 H new ATOM 0 HB2 TYR A 100 -5.372 -18.599 0.705 1.00 41.02 H new ATOM 0 HB3 TYR A 100 -4.979 -17.575 2.072 1.00 41.02 H new ATOM 0 HD1 TYR A 100 -6.306 -15.070 1.675 1.00 43.22 H new ATOM 0 HD2 TYR A 100 -7.709 -18.926 0.512 1.00 61.13 H new ATOM 0 HE1 TYR A 100 -8.611 -14.262 1.717 1.00 22.24 H new ATOM 0 HE2 TYR A 100 -10.012 -18.100 0.558 1.00 55.33 H new ATOM 0 HH TYR A 100 -10.755 -14.712 0.983 1.00 72.10 H new ATOM 1617 N THR A 101 -2.978 -18.350 -0.884 1.00 43.15 N ATOM 1618 CA THR A 101 -1.735 -19.065 -1.191 1.00 1.02 C ATOM 1619 C THR A 101 -0.629 -18.102 -1.672 1.00 31.23 C ATOM 1620 O THR A 101 0.533 -18.284 -1.332 1.00 10.42 O ATOM 1621 CB THR A 101 -1.990 -20.155 -2.272 1.00 43.11 C ATOM 1622 OG1 THR A 101 -2.652 -19.568 -3.411 1.00 22.23 O ATOM 1623 CG2 THR A 101 -2.841 -21.306 -1.721 1.00 23.32 C ATOM 0 H THR A 101 -3.769 -18.650 -1.454 1.00 43.15 H new ATOM 0 HA THR A 101 -1.395 -19.540 -0.271 1.00 1.02 H new ATOM 0 HB THR A 101 -1.024 -20.561 -2.572 1.00 43.11 H new ATOM 0 HG1 THR A 101 -2.809 -20.258 -4.089 1.00 22.23 H new ATOM 0 HG21 THR A 101 -2.999 -22.048 -2.503 1.00 23.32 H new ATOM 0 HG22 THR A 101 -2.326 -21.769 -0.880 1.00 23.32 H new ATOM 0 HG23 THR A 101 -3.804 -20.919 -1.388 1.00 23.32 H new ATOM 1631 N LYS A 102 -1.006 -17.076 -2.449 1.00 23.11 N ATOM 1632 CA LYS A 102 -0.046 -16.089 -2.992 1.00 61.22 C ATOM 1633 C LYS A 102 0.220 -15.001 -1.944 1.00 2.32 C ATOM 1634 O LYS A 102 1.344 -14.523 -1.788 1.00 55.04 O ATOM 1635 CB LYS A 102 -0.620 -15.456 -4.291 1.00 31.21 C ATOM 1636 CG LYS A 102 -1.297 -16.467 -5.233 1.00 50.41 C ATOM 1637 CD LYS A 102 -0.367 -17.603 -5.708 1.00 42.33 C ATOM 1638 CE LYS A 102 -1.145 -18.676 -6.480 1.00 73.21 C ATOM 1639 NZ LYS A 102 -0.249 -19.691 -7.097 1.00 31.31 N ATOM 0 H LYS A 102 -1.974 -16.903 -2.720 1.00 23.11 H new ATOM 0 HA LYS A 102 0.893 -16.589 -3.231 1.00 61.22 H new ATOM 0 HB2 LYS A 102 -1.343 -14.687 -4.019 1.00 31.21 H new ATOM 0 HB3 LYS A 102 0.188 -14.959 -4.828 1.00 31.21 H new ATOM 0 HG2 LYS A 102 -2.156 -16.904 -4.724 1.00 50.41 H new ATOM 0 HG3 LYS A 102 -1.679 -15.936 -6.105 1.00 50.41 H new ATOM 0 HD2 LYS A 102 0.417 -17.192 -6.344 1.00 42.33 H new ATOM 0 HD3 LYS A 102 0.125 -18.056 -4.848 1.00 42.33 H new ATOM 0 HE2 LYS A 102 -1.842 -19.173 -5.805 1.00 73.21 H new ATOM 0 HE3 LYS A 102 -1.741 -18.200 -7.259 1.00 73.21 H new ATOM 0 HZ1 LYS A 102 -0.821 -20.394 -7.607 1.00 31.31 H new ATOM 0 HZ2 LYS A 102 0.399 -19.223 -7.762 1.00 31.31 H new ATOM 0 HZ3 LYS A 102 0.301 -20.166 -6.353 1.00 31.31 H new ATOM 1653 N ALA A 103 -0.849 -14.651 -1.218 1.00 13.43 N ATOM 1654 CA ALA A 103 -0.853 -13.574 -0.229 1.00 43.42 C ATOM 1655 C ALA A 103 0.088 -13.882 0.932 1.00 14.43 C ATOM 1656 O ALA A 103 0.825 -13.007 1.369 1.00 40.14 O ATOM 1657 CB ALA A 103 -2.278 -13.325 0.280 1.00 43.13 C ATOM 0 H ALA A 103 -1.751 -15.119 -1.306 1.00 13.43 H new ATOM 0 HA ALA A 103 -0.491 -12.668 -0.715 1.00 43.42 H new ATOM 0 HB1 ALA A 103 -2.266 -12.521 1.016 1.00 43.13 H new ATOM 0 HB2 ALA A 103 -2.919 -13.043 -0.556 1.00 43.13 H new ATOM 0 HB3 ALA A 103 -2.663 -14.234 0.742 1.00 43.13 H new ATOM 1663 N MET A 104 0.068 -15.147 1.399 1.00 63.42 N ATOM 1664 CA MET A 104 0.883 -15.610 2.547 1.00 23.41 C ATOM 1665 C MET A 104 2.396 -15.454 2.300 1.00 11.12 C ATOM 1666 O MET A 104 3.165 -15.255 3.251 1.00 50.43 O ATOM 1667 CB MET A 104 0.551 -17.076 2.903 1.00 51.50 C ATOM 1668 CG MET A 104 0.819 -18.101 1.798 1.00 74.04 C ATOM 1669 SD MET A 104 0.394 -19.790 2.285 1.00 3.54 S ATOM 1670 CE MET A 104 -1.299 -19.618 2.864 1.00 41.22 C ATOM 0 H MET A 104 -0.514 -15.879 0.992 1.00 63.42 H new ATOM 0 HA MET A 104 0.623 -14.969 3.390 1.00 23.41 H new ATOM 0 HB2 MET A 104 1.129 -17.357 3.783 1.00 51.50 H new ATOM 0 HB3 MET A 104 -0.501 -17.134 3.181 1.00 51.50 H new ATOM 0 HG2 MET A 104 0.247 -17.829 0.911 1.00 74.04 H new ATOM 0 HG3 MET A 104 1.873 -18.062 1.522 1.00 74.04 H new ATOM 0 HE1 MET A 104 -1.720 -20.605 3.056 1.00 41.22 H new ATOM 0 HE2 MET A 104 -1.311 -19.033 3.783 1.00 41.22 H new ATOM 0 HE3 MET A 104 -1.894 -19.112 2.104 1.00 41.22 H new ATOM 1680 N ASP A 105 2.805 -15.559 1.016 1.00 62.10 N ATOM 1681 CA ASP A 105 4.183 -15.265 0.589 1.00 50.50 C ATOM 1682 C ASP A 105 4.500 -13.784 0.817 1.00 3.25 C ATOM 1683 O ASP A 105 5.576 -13.451 1.293 1.00 1.34 O ATOM 1684 CB ASP A 105 4.405 -15.626 -0.907 1.00 63.42 C ATOM 1685 CG ASP A 105 4.384 -17.141 -1.175 1.00 51.12 C ATOM 1686 OD1 ASP A 105 3.302 -17.697 -1.461 1.00 33.23 O ATOM 1687 OD2 ASP A 105 5.462 -17.783 -1.124 1.00 12.24 O ATOM 0 H ASP A 105 2.191 -15.848 0.255 1.00 62.10 H new ATOM 0 HA ASP A 105 4.855 -15.879 1.189 1.00 50.50 H new ATOM 0 HB2 ASP A 105 3.632 -15.147 -1.508 1.00 63.42 H new ATOM 0 HB3 ASP A 105 5.362 -15.219 -1.234 1.00 63.42 H new ATOM 1692 N VAL A 106 3.520 -12.909 0.520 1.00 11.22 N ATOM 1693 CA VAL A 106 3.703 -11.444 0.592 1.00 72.42 C ATOM 1694 C VAL A 106 3.603 -10.961 2.063 1.00 22.10 C ATOM 1695 O VAL A 106 4.229 -9.967 2.433 1.00 51.13 O ATOM 1696 CB VAL A 106 2.659 -10.686 -0.315 1.00 31.22 C ATOM 1697 CG1 VAL A 106 3.047 -9.203 -0.498 1.00 12.34 C ATOM 1698 CG2 VAL A 106 2.500 -11.384 -1.682 1.00 15.23 C ATOM 0 H VAL A 106 2.586 -13.193 0.226 1.00 11.22 H new ATOM 0 HA VAL A 106 4.698 -11.211 0.213 1.00 72.42 H new ATOM 0 HB VAL A 106 1.696 -10.719 0.195 1.00 31.22 H new ATOM 0 HG11 VAL A 106 2.308 -8.709 -1.128 1.00 12.34 H new ATOM 0 HG12 VAL A 106 3.081 -8.713 0.475 1.00 12.34 H new ATOM 0 HG13 VAL A 106 4.027 -9.139 -0.971 1.00 12.34 H new ATOM 0 HG21 VAL A 106 1.774 -10.840 -2.286 1.00 15.23 H new ATOM 0 HG22 VAL A 106 3.461 -11.400 -2.196 1.00 15.23 H new ATOM 0 HG23 VAL A 106 2.152 -12.406 -1.530 1.00 15.23 H new ATOM 1708 N TYR A 107 2.829 -11.706 2.897 1.00 23.15 N ATOM 1709 CA TYR A 107 2.743 -11.466 4.359 1.00 0.45 C ATOM 1710 C TYR A 107 4.103 -11.761 5.009 1.00 24.32 C ATOM 1711 O TYR A 107 4.627 -10.937 5.765 1.00 72.22 O ATOM 1712 CB TYR A 107 1.628 -12.333 5.037 1.00 71.22 C ATOM 1713 CG TYR A 107 0.186 -11.845 4.793 1.00 3.44 C ATOM 1714 CD1 TYR A 107 -0.270 -10.648 5.347 1.00 14.00 C ATOM 1715 CD2 TYR A 107 -0.716 -12.571 4.028 1.00 74.23 C ATOM 1716 CE1 TYR A 107 -1.564 -10.205 5.145 1.00 21.33 C ATOM 1717 CE2 TYR A 107 -2.002 -12.129 3.819 1.00 42.33 C ATOM 1718 CZ TYR A 107 -2.424 -10.952 4.377 1.00 15.30 C ATOM 1719 OH TYR A 107 -3.710 -10.523 4.163 1.00 25.52 O ATOM 0 H TYR A 107 2.252 -12.483 2.576 1.00 23.15 H new ATOM 0 HA TYR A 107 2.476 -10.420 4.508 1.00 0.45 H new ATOM 0 HB2 TYR A 107 1.715 -13.358 4.675 1.00 71.22 H new ATOM 0 HB3 TYR A 107 1.811 -12.358 6.111 1.00 71.22 H new ATOM 0 HD1 TYR A 107 0.403 -10.054 5.947 1.00 14.00 H new ATOM 0 HD2 TYR A 107 -0.401 -13.505 3.586 1.00 74.23 H new ATOM 0 HE1 TYR A 107 -1.897 -9.278 5.588 1.00 21.33 H new ATOM 0 HE2 TYR A 107 -2.680 -12.712 3.213 1.00 42.33 H new ATOM 0 HH TYR A 107 -3.735 -9.543 4.181 1.00 25.52 H new ATOM 1729 N GLN A 108 4.670 -12.935 4.658 1.00 41.42 N ATOM 1730 CA GLN A 108 5.979 -13.394 5.158 1.00 41.20 C ATOM 1731 C GLN A 108 7.067 -12.400 4.726 1.00 42.22 C ATOM 1732 O GLN A 108 7.848 -11.944 5.551 1.00 71.42 O ATOM 1733 CB GLN A 108 6.279 -14.835 4.625 1.00 41.02 C ATOM 1734 CG GLN A 108 7.367 -15.643 5.381 1.00 12.41 C ATOM 1735 CD GLN A 108 8.814 -15.220 5.088 1.00 21.33 C ATOM 1736 OE1 GLN A 108 9.463 -15.744 4.181 1.00 14.10 O ATOM 1737 NE2 GLN A 108 9.322 -14.266 5.836 1.00 4.31 N ATOM 0 H GLN A 108 4.228 -13.593 4.016 1.00 41.42 H new ATOM 0 HA GLN A 108 5.965 -13.437 6.247 1.00 41.20 H new ATOM 0 HB2 GLN A 108 5.352 -15.407 4.649 1.00 41.02 H new ATOM 0 HB3 GLN A 108 6.578 -14.756 3.580 1.00 41.02 H new ATOM 0 HG2 GLN A 108 7.188 -15.550 6.452 1.00 12.41 H new ATOM 0 HG3 GLN A 108 7.255 -16.698 5.129 1.00 12.41 H new ATOM 0 HE21 GLN A 108 8.763 -13.849 6.580 1.00 4.31 H new ATOM 0 HE22 GLN A 108 10.275 -13.942 5.672 1.00 4.31 H new ATOM 1746 N LYS A 109 7.077 -12.057 3.420 1.00 72.45 N ATOM 1747 CA LYS A 109 8.054 -11.121 2.835 1.00 33.24 C ATOM 1748 C LYS A 109 7.910 -9.697 3.393 1.00 43.53 C ATOM 1749 O LYS A 109 8.902 -8.982 3.487 1.00 13.01 O ATOM 1750 CB LYS A 109 7.977 -11.130 1.282 1.00 24.21 C ATOM 1751 CG LYS A 109 8.457 -12.454 0.640 1.00 11.21 C ATOM 1752 CD LYS A 109 9.906 -12.836 1.030 1.00 21.31 C ATOM 1753 CE LYS A 109 10.938 -11.801 0.558 1.00 55.54 C ATOM 1754 NZ LYS A 109 12.325 -12.141 0.973 1.00 43.44 N ATOM 0 H LYS A 109 6.407 -12.423 2.744 1.00 72.45 H new ATOM 0 HA LYS A 109 9.043 -11.472 3.128 1.00 33.24 H new ATOM 0 HB2 LYS A 109 6.947 -10.942 0.978 1.00 24.21 H new ATOM 0 HB3 LYS A 109 8.579 -10.309 0.893 1.00 24.21 H new ATOM 0 HG2 LYS A 109 7.784 -13.258 0.938 1.00 11.21 H new ATOM 0 HG3 LYS A 109 8.391 -12.368 -0.445 1.00 11.21 H new ATOM 0 HD2 LYS A 109 9.971 -12.940 2.113 1.00 21.31 H new ATOM 0 HD3 LYS A 109 10.149 -13.808 0.601 1.00 21.31 H new ATOM 0 HE2 LYS A 109 10.897 -11.723 -0.528 1.00 55.54 H new ATOM 0 HE3 LYS A 109 10.673 -10.822 0.958 1.00 55.54 H new ATOM 0 HZ1 LYS A 109 12.992 -11.846 0.231 1.00 43.44 H new ATOM 0 HZ2 LYS A 109 12.553 -11.648 1.860 1.00 43.44 H new ATOM 0 HZ3 LYS A 109 12.402 -13.168 1.119 1.00 43.44 H new ATOM 1768 N ALA A 110 6.687 -9.306 3.783 1.00 64.52 N ATOM 1769 CA ALA A 110 6.435 -8.010 4.448 1.00 1.41 C ATOM 1770 C ALA A 110 7.080 -7.997 5.849 1.00 32.42 C ATOM 1771 O ALA A 110 7.756 -7.028 6.231 1.00 73.41 O ATOM 1772 CB ALA A 110 4.921 -7.746 4.528 1.00 34.14 C ATOM 0 H ALA A 110 5.848 -9.871 3.650 1.00 64.52 H new ATOM 0 HA ALA A 110 6.888 -7.210 3.862 1.00 1.41 H new ATOM 0 HB1 ALA A 110 4.744 -6.789 5.019 1.00 34.14 H new ATOM 0 HB2 ALA A 110 4.502 -7.720 3.522 1.00 34.14 H new ATOM 0 HB3 ALA A 110 4.443 -8.541 5.100 1.00 34.14 H new ATOM 1778 N LEU A 111 6.876 -9.104 6.592 1.00 61.34 N ATOM 1779 CA LEU A 111 7.504 -9.324 7.917 1.00 44.20 C ATOM 1780 C LEU A 111 9.042 -9.456 7.791 1.00 53.45 C ATOM 1781 O LEU A 111 9.792 -9.080 8.702 1.00 35.42 O ATOM 1782 CB LEU A 111 6.919 -10.610 8.566 1.00 1.42 C ATOM 1783 CG LEU A 111 5.385 -10.590 8.852 1.00 45.43 C ATOM 1784 CD1 LEU A 111 4.876 -11.977 9.300 1.00 53.33 C ATOM 1785 CD2 LEU A 111 5.027 -9.499 9.879 1.00 55.52 C ATOM 0 H LEU A 111 6.273 -9.871 6.294 1.00 61.34 H new ATOM 0 HA LEU A 111 7.286 -8.461 8.547 1.00 44.20 H new ATOM 0 HB2 LEU A 111 7.136 -11.455 7.913 1.00 1.42 H new ATOM 0 HB3 LEU A 111 7.442 -10.790 9.505 1.00 1.42 H new ATOM 0 HG LEU A 111 4.877 -10.345 7.919 1.00 45.43 H new ATOM 0 HD11 LEU A 111 3.804 -11.927 9.491 1.00 53.33 H new ATOM 0 HD12 LEU A 111 5.071 -12.707 8.515 1.00 53.33 H new ATOM 0 HD13 LEU A 111 5.393 -12.277 10.211 1.00 53.33 H new ATOM 0 HD21 LEU A 111 3.952 -9.508 10.059 1.00 55.52 H new ATOM 0 HD22 LEU A 111 5.553 -9.692 10.814 1.00 55.52 H new ATOM 0 HD23 LEU A 111 5.322 -8.524 9.492 1.00 55.52 H new ATOM 1797 N ASP A 112 9.471 -9.987 6.633 1.00 42.11 N ATOM 1798 CA ASP A 112 10.882 -10.236 6.289 1.00 72.52 C ATOM 1799 C ASP A 112 11.627 -8.910 6.082 1.00 1.53 C ATOM 1800 O ASP A 112 12.788 -8.781 6.493 1.00 61.45 O ATOM 1801 CB ASP A 112 10.946 -11.125 5.014 1.00 4.05 C ATOM 1802 CG ASP A 112 12.355 -11.306 4.430 1.00 64.23 C ATOM 1803 OD1 ASP A 112 13.120 -12.140 4.948 1.00 24.14 O ATOM 1804 OD2 ASP A 112 12.702 -10.633 3.432 1.00 23.44 O ATOM 0 H ASP A 112 8.828 -10.262 5.890 1.00 42.11 H new ATOM 0 HA ASP A 112 11.372 -10.761 7.109 1.00 72.52 H new ATOM 0 HB2 ASP A 112 10.536 -12.107 5.251 1.00 4.05 H new ATOM 0 HB3 ASP A 112 10.304 -10.688 4.250 1.00 4.05 H new ATOM 1809 N LEU A 113 10.936 -7.927 5.450 1.00 74.43 N ATOM 1810 CA LEU A 113 11.485 -6.570 5.243 1.00 1.41 C ATOM 1811 C LEU A 113 11.844 -5.929 6.598 1.00 52.20 C ATOM 1812 O LEU A 113 13.009 -5.570 6.836 1.00 50.10 O ATOM 1813 CB LEU A 113 10.490 -5.658 4.463 1.00 52.02 C ATOM 1814 CG LEU A 113 10.078 -6.121 3.030 1.00 31.31 C ATOM 1815 CD1 LEU A 113 9.125 -5.104 2.368 1.00 11.35 C ATOM 1816 CD2 LEU A 113 11.306 -6.404 2.141 1.00 43.05 C ATOM 0 H LEU A 113 9.996 -8.054 5.076 1.00 74.43 H new ATOM 0 HA LEU A 113 12.388 -6.667 4.640 1.00 1.41 H new ATOM 0 HB2 LEU A 113 9.584 -5.557 5.060 1.00 52.02 H new ATOM 0 HB3 LEU A 113 10.932 -4.665 4.384 1.00 52.02 H new ATOM 0 HG LEU A 113 9.539 -7.062 3.137 1.00 31.31 H new ATOM 0 HD11 LEU A 113 8.855 -5.453 1.371 1.00 11.35 H new ATOM 0 HD12 LEU A 113 8.224 -5.002 2.973 1.00 11.35 H new ATOM 0 HD13 LEU A 113 9.621 -4.137 2.291 1.00 11.35 H new ATOM 0 HD21 LEU A 113 10.974 -6.723 1.153 1.00 43.05 H new ATOM 0 HD22 LEU A 113 11.904 -5.498 2.047 1.00 43.05 H new ATOM 0 HD23 LEU A 113 11.909 -7.191 2.593 1.00 43.05 H new ATOM 1828 N ASP A 114 10.835 -5.810 7.477 1.00 11.53 N ATOM 1829 CA ASP A 114 11.029 -5.318 8.850 1.00 4.41 C ATOM 1830 C ASP A 114 9.792 -5.637 9.700 1.00 54.43 C ATOM 1831 O ASP A 114 8.645 -5.634 9.201 1.00 63.32 O ATOM 1832 CB ASP A 114 11.339 -3.790 8.869 1.00 40.24 C ATOM 1833 CG ASP A 114 11.829 -3.282 10.241 1.00 43.24 C ATOM 1834 OD1 ASP A 114 13.031 -3.460 10.558 1.00 42.51 O ATOM 1835 OD2 ASP A 114 11.029 -2.718 11.013 1.00 74.02 O ATOM 0 H ASP A 114 9.868 -6.050 7.257 1.00 11.53 H new ATOM 0 HA ASP A 114 11.892 -5.829 9.278 1.00 4.41 H new ATOM 0 HB2 ASP A 114 12.097 -3.571 8.117 1.00 40.24 H new ATOM 0 HB3 ASP A 114 10.441 -3.241 8.586 1.00 40.24 H new ATOM 1840 N SER A 115 10.040 -5.849 11.002 1.00 45.12 N ATOM 1841 CA SER A 115 9.013 -6.203 11.992 1.00 25.44 C ATOM 1842 C SER A 115 7.967 -5.076 12.178 1.00 44.50 C ATOM 1843 O SER A 115 6.933 -5.292 12.792 1.00 2.44 O ATOM 1844 CB SER A 115 9.698 -6.563 13.337 1.00 75.14 C ATOM 1845 OG SER A 115 10.548 -5.512 13.776 1.00 21.42 O ATOM 0 H SER A 115 10.976 -5.778 11.402 1.00 45.12 H new ATOM 0 HA SER A 115 8.466 -7.070 11.623 1.00 25.44 H new ATOM 0 HB2 SER A 115 8.939 -6.761 14.094 1.00 75.14 H new ATOM 0 HB3 SER A 115 10.278 -7.479 13.220 1.00 75.14 H new ATOM 0 HG SER A 115 10.966 -5.763 14.626 1.00 21.42 H new ATOM 1851 N SER A 116 8.219 -3.883 11.594 1.00 20.45 N ATOM 1852 CA SER A 116 7.223 -2.794 11.532 1.00 70.33 C ATOM 1853 C SER A 116 5.934 -3.229 10.791 1.00 5.33 C ATOM 1854 O SER A 116 4.917 -2.538 10.853 1.00 21.34 O ATOM 1855 CB SER A 116 7.841 -1.555 10.855 1.00 1.23 C ATOM 1856 OG SER A 116 8.364 -1.881 9.577 1.00 33.52 O ATOM 0 H SER A 116 9.111 -3.651 11.157 1.00 20.45 H new ATOM 0 HA SER A 116 6.939 -2.544 12.554 1.00 70.33 H new ATOM 0 HB2 SER A 116 7.085 -0.776 10.755 1.00 1.23 H new ATOM 0 HB3 SER A 116 8.634 -1.150 11.484 1.00 1.23 H new ATOM 0 HG SER A 116 8.749 -1.079 9.167 1.00 33.52 H new ATOM 1862 N CYS A 117 5.999 -4.364 10.075 1.00 5.01 N ATOM 1863 CA CYS A 117 4.845 -4.942 9.379 1.00 25.11 C ATOM 1864 C CYS A 117 4.087 -6.002 10.223 1.00 60.21 C ATOM 1865 O CYS A 117 3.306 -6.765 9.659 1.00 52.43 O ATOM 1866 CB CYS A 117 5.309 -5.562 8.056 1.00 3.13 C ATOM 1867 SG CYS A 117 3.949 -5.919 6.936 1.00 21.13 S ATOM 0 H CYS A 117 6.857 -4.905 9.964 1.00 5.01 H new ATOM 0 HA CYS A 117 4.141 -4.130 9.197 1.00 25.11 H new ATOM 0 HB2 CYS A 117 6.007 -4.882 7.567 1.00 3.13 H new ATOM 0 HB3 CYS A 117 5.854 -6.483 8.263 1.00 3.13 H new ATOM 0 HG CYS A 117 3.634 -4.842 6.279 1.00 21.13 H new ATOM 1873 N LYS A 118 4.345 -6.091 11.554 1.00 45.52 N ATOM 1874 CA LYS A 118 3.621 -7.051 12.462 1.00 22.35 C ATOM 1875 C LYS A 118 2.071 -7.009 12.313 1.00 2.51 C ATOM 1876 O LYS A 118 1.395 -8.004 12.599 1.00 1.04 O ATOM 1877 CB LYS A 118 4.016 -6.842 13.958 1.00 1.31 C ATOM 1878 CG LYS A 118 5.407 -7.399 14.347 1.00 4.35 C ATOM 1879 CD LYS A 118 5.532 -8.949 14.245 1.00 11.34 C ATOM 1880 CE LYS A 118 5.036 -9.700 15.505 1.00 73.35 C ATOM 1881 NZ LYS A 118 3.599 -9.475 15.813 1.00 31.00 N ATOM 0 H LYS A 118 5.042 -5.518 12.030 1.00 45.52 H new ATOM 0 HA LYS A 118 3.945 -8.040 12.140 1.00 22.35 H new ATOM 0 HB2 LYS A 118 3.993 -5.775 14.179 1.00 1.31 H new ATOM 0 HB3 LYS A 118 3.262 -7.315 14.588 1.00 1.31 H new ATOM 0 HG2 LYS A 118 6.160 -6.943 13.704 1.00 4.35 H new ATOM 0 HG3 LYS A 118 5.634 -7.095 15.369 1.00 4.35 H new ATOM 0 HD2 LYS A 118 4.964 -9.294 13.381 1.00 11.34 H new ATOM 0 HD3 LYS A 118 6.575 -9.209 14.065 1.00 11.34 H new ATOM 0 HE2 LYS A 118 5.206 -10.768 15.370 1.00 73.35 H new ATOM 0 HE3 LYS A 118 5.634 -9.388 16.361 1.00 73.35 H new ATOM 0 HZ1 LYS A 118 3.253 -10.237 16.431 1.00 31.00 H new ATOM 0 HZ2 LYS A 118 3.486 -8.560 16.295 1.00 31.00 H new ATOM 0 HZ3 LYS A 118 3.051 -9.470 14.929 1.00 31.00 H new ATOM 1895 N GLU A 119 1.527 -5.870 11.836 1.00 73.12 N ATOM 1896 CA GLU A 119 0.089 -5.730 11.520 1.00 2.25 C ATOM 1897 C GLU A 119 -0.373 -6.786 10.481 1.00 52.05 C ATOM 1898 O GLU A 119 -1.479 -7.330 10.574 1.00 64.20 O ATOM 1899 CB GLU A 119 -0.222 -4.302 11.004 1.00 74.12 C ATOM 1900 CG GLU A 119 0.536 -3.880 9.719 1.00 13.54 C ATOM 1901 CD GLU A 119 -0.088 -2.652 9.038 1.00 43.24 C ATOM 1902 OE1 GLU A 119 -1.240 -2.762 8.558 1.00 71.43 O ATOM 1903 OE2 GLU A 119 0.544 -1.576 8.989 1.00 72.04 O ATOM 0 H GLU A 119 2.069 -5.024 11.659 1.00 73.12 H new ATOM 0 HA GLU A 119 -0.465 -5.901 12.443 1.00 2.25 H new ATOM 0 HB2 GLU A 119 -1.293 -4.227 10.815 1.00 74.12 H new ATOM 0 HB3 GLU A 119 0.012 -3.589 11.795 1.00 74.12 H new ATOM 0 HG2 GLU A 119 1.574 -3.663 9.970 1.00 13.54 H new ATOM 0 HG3 GLU A 119 0.545 -4.714 9.017 1.00 13.54 H new ATOM 1910 N ALA A 120 0.507 -7.071 9.512 1.00 22.41 N ATOM 1911 CA ALA A 120 0.277 -8.084 8.471 1.00 74.22 C ATOM 1912 C ALA A 120 0.439 -9.517 9.021 1.00 22.34 C ATOM 1913 O ALA A 120 -0.023 -10.470 8.393 1.00 31.11 O ATOM 1914 CB ALA A 120 1.228 -7.839 7.289 1.00 44.43 C ATOM 0 H ALA A 120 1.408 -6.600 9.427 1.00 22.41 H new ATOM 0 HA ALA A 120 -0.753 -7.990 8.126 1.00 74.22 H new ATOM 0 HB1 ALA A 120 1.054 -8.592 6.520 1.00 44.43 H new ATOM 0 HB2 ALA A 120 1.045 -6.848 6.874 1.00 44.43 H new ATOM 0 HB3 ALA A 120 2.260 -7.903 7.633 1.00 44.43 H new ATOM 1920 N ALA A 121 1.085 -9.668 10.202 1.00 24.13 N ATOM 1921 CA ALA A 121 1.212 -10.986 10.864 1.00 31.50 C ATOM 1922 C ALA A 121 -0.163 -11.414 11.402 1.00 52.43 C ATOM 1923 O ALA A 121 -0.560 -12.570 11.281 1.00 73.51 O ATOM 1924 CB ALA A 121 2.254 -10.951 11.995 1.00 70.02 C ATOM 0 H ALA A 121 1.522 -8.900 10.711 1.00 24.13 H new ATOM 0 HA ALA A 121 1.560 -11.715 10.132 1.00 31.50 H new ATOM 0 HB1 ALA A 121 2.321 -11.935 12.459 1.00 70.02 H new ATOM 0 HB2 ALA A 121 3.226 -10.676 11.586 1.00 70.02 H new ATOM 0 HB3 ALA A 121 1.954 -10.217 12.743 1.00 70.02 H new ATOM 1930 N ASP A 122 -0.885 -10.429 11.966 1.00 54.22 N ATOM 1931 CA ASP A 122 -2.284 -10.588 12.416 1.00 10.44 C ATOM 1932 C ASP A 122 -3.200 -10.956 11.220 1.00 21.21 C ATOM 1933 O ASP A 122 -4.062 -11.842 11.324 1.00 41.14 O ATOM 1934 CB ASP A 122 -2.754 -9.273 13.101 1.00 25.52 C ATOM 1935 CG ASP A 122 -4.206 -9.326 13.625 1.00 74.13 C ATOM 1936 OD1 ASP A 122 -4.430 -9.862 14.735 1.00 74.11 O ATOM 1937 OD2 ASP A 122 -5.125 -8.813 12.942 1.00 74.11 O ATOM 0 H ASP A 122 -0.513 -9.492 12.124 1.00 54.22 H new ATOM 0 HA ASP A 122 -2.345 -11.402 13.138 1.00 10.44 H new ATOM 0 HB2 ASP A 122 -2.086 -9.049 13.932 1.00 25.52 H new ATOM 0 HB3 ASP A 122 -2.664 -8.452 12.390 1.00 25.52 H new ATOM 1942 N GLY A 123 -2.967 -10.275 10.076 1.00 74.42 N ATOM 1943 CA GLY A 123 -3.698 -10.544 8.826 1.00 42.42 C ATOM 1944 C GLY A 123 -3.287 -11.852 8.142 1.00 24.41 C ATOM 1945 O GLY A 123 -4.026 -12.389 7.313 1.00 43.23 O ATOM 0 H GLY A 123 -2.273 -9.531 9.997 1.00 74.42 H new ATOM 0 HA2 GLY A 123 -4.766 -10.576 9.040 1.00 42.42 H new ATOM 0 HA3 GLY A 123 -3.536 -9.716 8.135 1.00 42.42 H new ATOM 1949 N TYR A 124 -2.082 -12.340 8.464 1.00 23.10 N ATOM 1950 CA TYR A 124 -1.577 -13.639 7.987 1.00 53.42 C ATOM 1951 C TYR A 124 -2.425 -14.797 8.554 1.00 10.11 C ATOM 1952 O TYR A 124 -2.827 -15.698 7.802 1.00 20.15 O ATOM 1953 CB TYR A 124 -0.088 -13.780 8.379 1.00 50.11 C ATOM 1954 CG TYR A 124 0.574 -15.125 8.053 1.00 33.22 C ATOM 1955 CD1 TYR A 124 0.468 -15.707 6.784 1.00 3.04 C ATOM 1956 CD2 TYR A 124 1.336 -15.805 9.011 1.00 34.32 C ATOM 1957 CE1 TYR A 124 1.092 -16.904 6.493 1.00 73.20 C ATOM 1958 CE2 TYR A 124 1.955 -17.003 8.717 1.00 31.53 C ATOM 1959 CZ TYR A 124 1.831 -17.546 7.455 1.00 34.24 C ATOM 1960 OH TYR A 124 2.459 -18.736 7.151 1.00 43.41 O ATOM 0 H TYR A 124 -1.425 -11.844 9.066 1.00 23.10 H new ATOM 0 HA TYR A 124 -1.658 -13.685 6.901 1.00 53.42 H new ATOM 0 HB2 TYR A 124 0.474 -12.991 7.879 1.00 50.11 H new ATOM 0 HB3 TYR A 124 0.002 -13.605 9.451 1.00 50.11 H new ATOM 0 HD1 TYR A 124 -0.112 -15.211 6.020 1.00 3.04 H new ATOM 0 HD2 TYR A 124 1.441 -15.384 10.000 1.00 34.32 H new ATOM 0 HE1 TYR A 124 0.998 -17.335 5.507 1.00 73.20 H new ATOM 0 HE2 TYR A 124 2.534 -17.513 9.472 1.00 31.53 H new ATOM 0 HH TYR A 124 2.942 -19.062 7.939 1.00 43.41 H new ATOM 1970 N GLN A 125 -2.707 -14.746 9.873 1.00 41.35 N ATOM 1971 CA GLN A 125 -3.606 -15.718 10.551 1.00 61.01 C ATOM 1972 C GLN A 125 -4.967 -15.802 9.845 1.00 40.12 C ATOM 1973 O GLN A 125 -5.497 -16.902 9.662 1.00 3.14 O ATOM 1974 CB GLN A 125 -3.779 -15.354 12.063 1.00 5.33 C ATOM 1975 CG GLN A 125 -2.724 -15.971 13.006 1.00 65.32 C ATOM 1976 CD GLN A 125 -1.282 -15.787 12.535 1.00 42.33 C ATOM 1977 OE1 GLN A 125 -0.721 -16.633 11.832 1.00 31.23 O ATOM 1978 NE2 GLN A 125 -0.687 -14.673 12.884 1.00 23.04 N ATOM 0 H GLN A 125 -2.324 -14.037 10.498 1.00 41.35 H new ATOM 0 HA GLN A 125 -3.141 -16.702 10.491 1.00 61.01 H new ATOM 0 HB2 GLN A 125 -3.747 -14.269 12.166 1.00 5.33 H new ATOM 0 HB3 GLN A 125 -4.768 -15.676 12.388 1.00 5.33 H new ATOM 0 HG2 GLN A 125 -2.831 -15.525 13.995 1.00 65.32 H new ATOM 0 HG3 GLN A 125 -2.927 -17.037 13.113 1.00 65.32 H new ATOM 0 HE21 GLN A 125 -1.177 -13.994 13.466 1.00 23.04 H new ATOM 0 HE22 GLN A 125 0.266 -14.485 12.574 1.00 23.04 H new ATOM 1987 N ARG A 126 -5.494 -14.634 9.416 1.00 2.33 N ATOM 1988 CA ARG A 126 -6.713 -14.561 8.591 1.00 11.02 C ATOM 1989 C ARG A 126 -6.506 -15.263 7.231 1.00 0.33 C ATOM 1990 O ARG A 126 -7.370 -16.016 6.790 1.00 15.35 O ATOM 1991 CB ARG A 126 -7.135 -13.082 8.355 1.00 4.44 C ATOM 1992 CG ARG A 126 -8.276 -12.909 7.318 1.00 71.41 C ATOM 1993 CD ARG A 126 -8.701 -11.450 7.109 1.00 3.25 C ATOM 1994 NE ARG A 126 -9.600 -11.303 5.952 1.00 42.44 N ATOM 1995 CZ ARG A 126 -10.330 -10.218 5.663 1.00 72.20 C ATOM 1996 NH1 ARG A 126 -10.296 -9.132 6.439 1.00 32.42 N ATOM 1997 NH2 ARG A 126 -11.088 -10.216 4.579 1.00 12.31 N ATOM 0 H ARG A 126 -5.088 -13.724 9.632 1.00 2.33 H new ATOM 0 HA ARG A 126 -7.506 -15.074 9.134 1.00 11.02 H new ATOM 0 HB2 ARG A 126 -7.452 -12.650 9.304 1.00 4.44 H new ATOM 0 HB3 ARG A 126 -6.266 -12.516 8.021 1.00 4.44 H new ATOM 0 HG2 ARG A 126 -7.954 -13.325 6.363 1.00 71.41 H new ATOM 0 HG3 ARG A 126 -9.141 -13.488 7.642 1.00 71.41 H new ATOM 0 HD2 ARG A 126 -9.201 -11.085 8.006 1.00 3.25 H new ATOM 0 HD3 ARG A 126 -7.816 -10.831 6.963 1.00 3.25 H new ATOM 0 HE ARG A 126 -9.673 -12.097 5.315 1.00 42.44 H new ATOM 0 HH11 ARG A 126 -9.706 -9.118 7.271 1.00 32.42 H new ATOM 0 HH12 ARG A 126 -10.860 -8.317 6.200 1.00 32.42 H new ATOM 0 HH21 ARG A 126 -11.113 -11.036 3.972 1.00 12.31 H new ATOM 0 HH22 ARG A 126 -11.648 -9.395 4.350 1.00 12.31 H new ATOM 2011 N CYS A 127 -5.327 -15.044 6.617 1.00 40.02 N ATOM 2012 CA CYS A 127 -5.050 -15.460 5.228 1.00 11.13 C ATOM 2013 C CYS A 127 -5.058 -16.984 5.107 1.00 45.11 C ATOM 2014 O CYS A 127 -5.780 -17.553 4.272 1.00 41.12 O ATOM 2015 CB CYS A 127 -3.694 -14.897 4.776 1.00 73.23 C ATOM 2016 SG CYS A 127 -3.238 -15.308 3.084 1.00 63.00 S ATOM 0 H CYS A 127 -4.542 -14.575 7.068 1.00 40.02 H new ATOM 0 HA CYS A 127 -5.834 -15.064 4.583 1.00 11.13 H new ATOM 0 HB2 CYS A 127 -3.713 -13.812 4.880 1.00 73.23 H new ATOM 0 HB3 CYS A 127 -2.919 -15.268 5.447 1.00 73.23 H new ATOM 0 HG CYS A 127 -2.081 -14.783 2.807 1.00 63.00 H new ATOM 2022 N MET A 128 -4.269 -17.640 5.978 1.00 13.34 N ATOM 2023 CA MET A 128 -4.183 -19.106 6.008 1.00 13.24 C ATOM 2024 C MET A 128 -5.545 -19.743 6.383 1.00 32.03 C ATOM 2025 O MET A 128 -6.024 -20.626 5.666 1.00 53.24 O ATOM 2026 CB MET A 128 -3.047 -19.595 6.953 1.00 23.14 C ATOM 2027 CG MET A 128 -3.117 -19.063 8.389 1.00 23.35 C ATOM 2028 SD MET A 128 -1.973 -19.900 9.507 1.00 24.51 S ATOM 2029 CE MET A 128 -2.702 -21.540 9.592 1.00 33.00 C ATOM 0 H MET A 128 -3.682 -17.174 6.670 1.00 13.34 H new ATOM 0 HA MET A 128 -3.931 -19.438 5.001 1.00 13.24 H new ATOM 0 HB2 MET A 128 -3.067 -20.684 6.985 1.00 23.14 H new ATOM 0 HB3 MET A 128 -2.088 -19.306 6.522 1.00 23.14 H new ATOM 0 HG2 MET A 128 -2.898 -17.995 8.386 1.00 23.35 H new ATOM 0 HG3 MET A 128 -4.134 -19.179 8.765 1.00 23.35 H new ATOM 0 HE1 MET A 128 -2.356 -22.046 10.494 1.00 33.00 H new ATOM 0 HE2 MET A 128 -3.788 -21.454 9.618 1.00 33.00 H new ATOM 0 HE3 MET A 128 -2.404 -22.116 8.716 1.00 33.00 H new ATOM 2039 N MET A 129 -6.208 -19.247 7.458 1.00 40.32 N ATOM 2040 CA MET A 129 -7.467 -19.860 7.958 1.00 70.41 C ATOM 2041 C MET A 129 -8.614 -19.697 6.947 1.00 65.31 C ATOM 2042 O MET A 129 -9.492 -20.539 6.880 1.00 33.23 O ATOM 2043 CB MET A 129 -7.909 -19.281 9.337 1.00 62.43 C ATOM 2044 CG MET A 129 -8.463 -17.842 9.309 1.00 32.33 C ATOM 2045 SD MET A 129 -9.144 -17.295 10.890 1.00 54.22 S ATOM 2046 CE MET A 129 -10.637 -18.282 10.996 1.00 74.44 C ATOM 0 H MET A 129 -5.897 -18.434 7.990 1.00 40.32 H new ATOM 0 HA MET A 129 -7.249 -20.920 8.089 1.00 70.41 H new ATOM 0 HB2 MET A 129 -8.671 -19.936 9.759 1.00 62.43 H new ATOM 0 HB3 MET A 129 -7.055 -19.309 10.013 1.00 62.43 H new ATOM 0 HG2 MET A 129 -7.666 -17.161 9.012 1.00 32.33 H new ATOM 0 HG3 MET A 129 -9.239 -17.776 8.547 1.00 32.33 H new ATOM 0 HE1 MET A 129 -11.282 -17.883 11.779 1.00 74.44 H new ATOM 0 HE2 MET A 129 -11.163 -18.250 10.042 1.00 74.44 H new ATOM 0 HE3 MET A 129 -10.375 -19.314 11.231 1.00 74.44 H new ATOM 2056 N ALA A 130 -8.561 -18.619 6.143 1.00 4.10 N ATOM 2057 CA ALA A 130 -9.646 -18.234 5.215 1.00 55.04 C ATOM 2058 C ALA A 130 -9.936 -19.321 4.161 1.00 72.35 C ATOM 2059 O ALA A 130 -11.086 -19.503 3.745 1.00 4.53 O ATOM 2060 CB ALA A 130 -9.302 -16.903 4.547 1.00 33.52 C ATOM 0 H ALA A 130 -7.761 -17.986 6.117 1.00 4.10 H new ATOM 0 HA ALA A 130 -10.559 -18.122 5.799 1.00 55.04 H new ATOM 0 HB1 ALA A 130 -10.103 -16.621 3.864 1.00 33.52 H new ATOM 0 HB2 ALA A 130 -9.187 -16.132 5.309 1.00 33.52 H new ATOM 0 HB3 ALA A 130 -8.370 -17.005 3.991 1.00 33.52 H new ATOM 2066 N GLN A 131 -8.880 -20.027 3.728 1.00 35.13 N ATOM 2067 CA GLN A 131 -9.001 -21.202 2.834 1.00 1.00 C ATOM 2068 C GLN A 131 -9.160 -22.502 3.640 1.00 43.21 C ATOM 2069 O GLN A 131 -9.675 -23.494 3.121 1.00 11.12 O ATOM 2070 CB GLN A 131 -7.786 -21.307 1.871 1.00 14.22 C ATOM 2071 CG GLN A 131 -6.417 -21.158 2.544 1.00 71.32 C ATOM 2072 CD GLN A 131 -5.245 -21.355 1.587 1.00 72.52 C ATOM 2073 OE1 GLN A 131 -5.353 -22.058 0.584 1.00 31.04 O ATOM 2074 NE2 GLN A 131 -4.108 -20.779 1.905 1.00 31.52 N ATOM 0 H GLN A 131 -7.918 -19.805 3.984 1.00 35.13 H new ATOM 0 HA GLN A 131 -9.900 -21.060 2.234 1.00 1.00 H new ATOM 0 HB2 GLN A 131 -7.823 -22.272 1.365 1.00 14.22 H new ATOM 0 HB3 GLN A 131 -7.882 -20.540 1.102 1.00 14.22 H new ATOM 0 HG2 GLN A 131 -6.347 -20.167 2.993 1.00 71.32 H new ATOM 0 HG3 GLN A 131 -6.339 -21.881 3.356 1.00 71.32 H new ATOM 0 HE21 GLN A 131 -4.046 -20.201 2.743 1.00 31.52 H new ATOM 0 HE22 GLN A 131 -3.287 -20.910 1.314 1.00 31.52 H new ATOM 2083 N TYR A 132 -8.719 -22.494 4.908 1.00 14.13 N ATOM 2084 CA TYR A 132 -8.809 -23.676 5.797 1.00 74.21 C ATOM 2085 C TYR A 132 -10.060 -23.567 6.701 1.00 71.22 C ATOM 2086 O TYR A 132 -10.032 -23.938 7.883 1.00 42.42 O ATOM 2087 CB TYR A 132 -7.504 -23.810 6.646 1.00 10.33 C ATOM 2088 CG TYR A 132 -6.173 -23.805 5.858 1.00 1.02 C ATOM 2089 CD1 TYR A 132 -6.099 -24.172 4.509 1.00 0.15 C ATOM 2090 CD2 TYR A 132 -4.980 -23.402 6.477 1.00 23.03 C ATOM 2091 CE1 TYR A 132 -4.904 -24.136 3.816 1.00 4.11 C ATOM 2092 CE2 TYR A 132 -3.784 -23.370 5.785 1.00 21.43 C ATOM 2093 CZ TYR A 132 -3.751 -23.734 4.458 1.00 52.20 C ATOM 2094 OH TYR A 132 -2.559 -23.696 3.763 1.00 55.51 O ATOM 0 H TYR A 132 -8.293 -21.679 5.348 1.00 14.13 H new ATOM 0 HA TYR A 132 -8.909 -24.576 5.190 1.00 74.21 H new ATOM 0 HB2 TYR A 132 -7.479 -22.992 7.367 1.00 10.33 H new ATOM 0 HB3 TYR A 132 -7.561 -24.737 7.217 1.00 10.33 H new ATOM 0 HD1 TYR A 132 -6.996 -24.490 3.999 1.00 0.15 H new ATOM 0 HD2 TYR A 132 -4.997 -23.110 7.517 1.00 23.03 H new ATOM 0 HE1 TYR A 132 -4.873 -24.422 2.775 1.00 4.11 H new ATOM 0 HE2 TYR A 132 -2.878 -23.060 6.284 1.00 21.43 H new ATOM 0 HH TYR A 132 -1.843 -23.390 4.358 1.00 55.51 H new ATOM 2104 N ASN A 133 -11.170 -23.054 6.130 1.00 71.03 N ATOM 2105 CA ASN A 133 -12.488 -23.020 6.793 1.00 34.52 C ATOM 2106 C ASN A 133 -13.420 -24.006 6.054 1.00 64.24 C ATOM 2107 O ASN A 133 -14.072 -23.612 5.062 1.00 60.33 O ATOM 2108 CB ASN A 133 -13.084 -21.571 6.820 1.00 21.43 C ATOM 2109 CG ASN A 133 -12.333 -20.572 7.714 1.00 44.51 C ATOM 2110 OD1 ASN A 133 -12.325 -19.370 7.444 1.00 73.44 O ATOM 2111 ND2 ASN A 133 -11.687 -21.040 8.781 1.00 1.42 N ATOM 2112 OXT ASN A 133 -13.437 -25.196 6.428 1.00 37.20 O ATOM 0 H ASN A 133 -11.176 -22.651 5.193 1.00 71.03 H new ATOM 0 HA ASN A 133 -12.384 -23.322 7.835 1.00 34.52 H new ATOM 0 HB2 ASN A 133 -13.100 -21.183 5.802 1.00 21.43 H new ATOM 0 HB3 ASN A 133 -14.120 -21.627 7.155 1.00 21.43 H new ATOM 0 HD21 ASN A 133 -11.176 -20.400 9.389 1.00 1.42 H new ATOM 0 HD22 ASN A 133 -11.704 -22.038 8.990 1.00 1.42 H new TER 2119 ASN A 133