USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 46 CYS SG : rot -178:sc= -6.35! USER MOD Set 1.2: A 66 HIS : no HD1:sc= -3.35! C(o=-9.7!,f=-18!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= 1.11 K(o=2.4,f=-2.2) USER MOD Set 2.2: A 52 SER OG : rot -119:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0537 (180deg=-0.00542) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.12) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.014) 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 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 11 MET CE :methyl 162:sc= -0.255 (180deg=-0.66) USER MOD Single : A 13 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.3!) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= -0.0422 (180deg=-0.227) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -0.0431 (180deg=-0.287) USER MOD Single : A 18 CYS SG : rot 180:sc= 0.0541 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 23 MET CE :methyl -161:sc= -0.0777 (180deg=-0.523) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00239 K(o=-0.0024,f=-2.1!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.643 K(o=-0.64,f=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0206) USER MOD Single : A 37 SER OG : rot -19:sc= 0.104 USER MOD Single : A 38 HIS : no HE2:sc= 0.209 K(o=0.21,f=-0.93) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -20:sc= 0.186 USER MOD Single : A 55 GLN : amide:sc=-0.00831 X(o=-0.0083,f=-0.28) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.139 (180deg=-0.546) USER MOD Single : A 58 ASN : amide:sc= -0.472 K(o=-0.47,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -117:sc= 0.27 USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= 1.15 (180deg=-0.0431) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.948-113.274 -6.290 1.00 31.35 N ATOM 2 CA MET A 1 9.082-112.385 -5.490 1.00 5.23 C ATOM 3 C MET A 1 9.070-110.976 -6.089 1.00 54.31 C ATOM 4 O MET A 1 10.055-110.544 -6.700 1.00 63.01 O ATOM 5 CB MET A 1 9.546-112.360 -4.003 1.00 3.22 C ATOM 6 CG MET A 1 10.945-111.768 -3.748 1.00 24.50 C ATOM 7 SD MET A 1 11.455-111.936 -2.023 1.00 51.53 S ATOM 8 CE MET A 1 13.067-111.144 -2.016 1.00 54.44 C ATOM 0 H1 MET A 1 10.463-113.919 -5.657 1.00 31.35 H new ATOM 0 H2 MET A 1 9.363-113.828 -6.948 1.00 31.35 H new ATOM 0 H3 MET A 1 10.629-112.702 -6.830 1.00 31.35 H new ATOM 0 HA MET A 1 8.064-112.773 -5.515 1.00 5.23 H new ATOM 0 HB2 MET A 1 8.820-111.789 -3.425 1.00 3.22 H new ATOM 0 HB3 MET A 1 9.528-113.380 -3.619 1.00 3.22 H new ATOM 0 HG2 MET A 1 11.671-112.267 -4.390 1.00 24.50 H new ATOM 0 HG3 MET A 1 10.947-110.714 -4.024 1.00 24.50 H new ATOM 0 HE1 MET A 1 13.487-111.182 -1.011 1.00 54.44 H new ATOM 0 HE2 MET A 1 13.731-111.664 -2.706 1.00 54.44 H new ATOM 0 HE3 MET A 1 12.963-110.104 -2.327 1.00 54.44 H new ATOM 20 N GLY A 2 7.943-110.278 -5.919 1.00 33.22 N ATOM 21 CA GLY A 2 7.775-108.915 -6.424 1.00 55.23 C ATOM 22 C GLY A 2 6.315-108.491 -6.445 1.00 11.00 C ATOM 23 O GLY A 2 5.437-109.240 -6.000 1.00 24.11 O ATOM 0 H GLY A 2 7.125-110.641 -5.429 1.00 33.22 H new ATOM 0 HA2 GLY A 2 8.344-108.225 -5.801 1.00 55.23 H new ATOM 0 HA3 GLY A 2 8.186-108.848 -7.431 1.00 55.23 H new ATOM 27 N HIS A 3 6.059-107.282 -6.966 1.00 50.04 N ATOM 28 CA HIS A 3 4.706-106.723 -7.128 1.00 64.33 C ATOM 29 C HIS A 3 4.707-105.725 -8.301 1.00 3.34 C ATOM 30 O HIS A 3 5.579-104.855 -8.382 1.00 74.43 O ATOM 31 CB HIS A 3 4.217-106.068 -5.799 1.00 12.11 C ATOM 32 CG HIS A 3 5.156-105.062 -5.189 1.00 55.00 C ATOM 33 ND1 HIS A 3 6.167-105.417 -4.317 1.00 14.23 N ATOM 34 CD2 HIS A 3 5.239-103.711 -5.317 1.00 2.34 C ATOM 35 CE1 HIS A 3 6.824-104.338 -3.946 1.00 14.04 C ATOM 36 NE2 HIS A 3 6.286-103.300 -4.533 1.00 42.33 N ATOM 0 H HIS A 3 6.795-106.655 -7.292 1.00 50.04 H new ATOM 0 HA HIS A 3 4.002-107.522 -7.360 1.00 64.33 H new ATOM 0 HB2 HIS A 3 3.260-105.580 -5.985 1.00 12.11 H new ATOM 0 HB3 HIS A 3 4.035-106.858 -5.070 1.00 12.11 H new ATOM 0 HD2 HIS A 3 4.602-103.082 -5.921 1.00 2.34 H new ATOM 0 HE1 HIS A 3 7.666-104.314 -3.270 1.00 14.04 H new ATOM 0 HE2 HIS A 3 6.597-102.335 -4.424 1.00 42.33 H new ATOM 45 N HIS A 4 3.727-105.872 -9.213 1.00 64.54 N ATOM 46 CA HIS A 4 3.634-105.073 -10.439 1.00 24.12 C ATOM 47 C HIS A 4 2.177-105.041 -10.949 1.00 22.43 C ATOM 48 O HIS A 4 1.671-106.001 -11.534 1.00 63.33 O ATOM 49 CB HIS A 4 4.628-105.594 -11.518 1.00 73.10 C ATOM 50 CG HIS A 4 4.451-107.031 -11.934 1.00 12.42 C ATOM 51 ND1 HIS A 4 4.901-108.097 -11.182 1.00 40.10 N ATOM 52 CD2 HIS A 4 3.865-107.576 -13.031 1.00 10.22 C ATOM 53 CE1 HIS A 4 4.597-109.224 -11.796 1.00 71.14 C ATOM 54 NE2 HIS A 4 3.972-108.936 -12.911 1.00 30.34 N ATOM 0 H HIS A 4 2.975-106.554 -9.114 1.00 64.54 H new ATOM 0 HA HIS A 4 3.923-104.046 -10.215 1.00 24.12 H new ATOM 0 HB2 HIS A 4 4.536-104.965 -12.404 1.00 73.10 H new ATOM 0 HB3 HIS A 4 5.643-105.467 -11.141 1.00 73.10 H new ATOM 0 HD2 HIS A 4 3.402-107.038 -13.845 1.00 10.22 H new ATOM 0 HE1 HIS A 4 4.825-110.218 -11.439 1.00 71.14 H new ATOM 0 HE2 HIS A 4 3.621-109.617 -13.584 1.00 30.34 H new ATOM 63 N HIS A 5 1.483-103.952 -10.629 1.00 71.34 N ATOM 64 CA HIS A 5 0.126-103.651 -11.130 1.00 35.01 C ATOM 65 C HIS A 5 0.119-102.211 -11.674 1.00 62.21 C ATOM 66 O HIS A 5 -0.869-101.485 -11.531 1.00 0.23 O ATOM 67 CB HIS A 5 -0.925-103.834 -9.991 1.00 44.44 C ATOM 68 CG HIS A 5 -1.237-105.266 -9.610 1.00 22.03 C ATOM 69 ND1 HIS A 5 -2.470-105.847 -9.827 1.00 71.41 N ATOM 70 CD2 HIS A 5 -0.495-106.218 -8.987 1.00 54.55 C ATOM 71 CE1 HIS A 5 -2.470-107.078 -9.362 1.00 10.40 C ATOM 72 NE2 HIS A 5 -1.290-107.329 -8.848 1.00 40.13 N ATOM 0 H HIS A 5 1.847-103.234 -10.002 1.00 71.34 H new ATOM 0 HA HIS A 5 -0.143-104.339 -11.931 1.00 35.01 H new ATOM 0 HB2 HIS A 5 -0.567-103.311 -9.104 1.00 44.44 H new ATOM 0 HB3 HIS A 5 -1.852-103.348 -10.295 1.00 44.44 H new ATOM 0 HD2 HIS A 5 0.530-106.119 -8.661 1.00 54.55 H new ATOM 0 HE1 HIS A 5 -3.302-107.766 -9.398 1.00 10.40 H new ATOM 0 HE2 HIS A 5 -1.008-108.208 -8.415 1.00 40.13 H new ATOM 81 N HIS A 6 1.235-101.836 -12.331 1.00 10.33 N ATOM 82 CA HIS A 6 1.523-100.450 -12.739 1.00 2.43 C ATOM 83 C HIS A 6 0.521 -99.901 -13.777 1.00 41.42 C ATOM 84 O HIS A 6 0.664-100.124 -14.986 1.00 43.43 O ATOM 85 CB HIS A 6 2.987-100.317 -13.247 1.00 11.21 C ATOM 86 CG HIS A 6 4.033-100.579 -12.176 1.00 71.51 C ATOM 87 ND1 HIS A 6 4.768-101.747 -12.097 1.00 64.23 N ATOM 88 CD2 HIS A 6 4.464 -99.809 -11.139 1.00 50.44 C ATOM 89 CE1 HIS A 6 5.589-101.685 -11.061 1.00 13.31 C ATOM 90 NE2 HIS A 6 5.426-100.526 -10.469 1.00 50.25 N ATOM 0 H HIS A 6 1.968-102.495 -12.595 1.00 10.33 H new ATOM 0 HA HIS A 6 1.404 -99.834 -11.848 1.00 2.43 H new ATOM 0 HB2 HIS A 6 3.141-101.014 -14.071 1.00 11.21 H new ATOM 0 HB3 HIS A 6 3.133 -99.314 -13.647 1.00 11.21 H new ATOM 0 HD2 HIS A 6 4.114 -98.818 -10.889 1.00 50.44 H new ATOM 0 HE1 HIS A 6 6.277-102.459 -10.755 1.00 13.31 H new ATOM 0 HE2 HIS A 6 5.933-100.208 -9.643 1.00 50.25 H new ATOM 99 N HIS A 7 -0.511 -99.228 -13.248 1.00 50.34 N ATOM 100 CA HIS A 7 -1.468 -98.418 -14.008 1.00 63.10 C ATOM 101 C HIS A 7 -2.302 -97.608 -12.999 1.00 55.14 C ATOM 102 O HIS A 7 -2.609 -98.099 -11.904 1.00 41.54 O ATOM 103 CB HIS A 7 -2.384 -99.278 -14.930 1.00 52.13 C ATOM 104 CG HIS A 7 -3.367-100.185 -14.232 1.00 52.34 C ATOM 105 ND1 HIS A 7 -3.099-101.498 -13.910 1.00 52.32 N ATOM 106 CD2 HIS A 7 -4.640 -99.960 -13.811 1.00 61.14 C ATOM 107 CE1 HIS A 7 -4.157-102.028 -13.326 1.00 65.13 C ATOM 108 NE2 HIS A 7 -5.094-101.122 -13.254 1.00 23.11 N ATOM 0 H HIS A 7 -0.707 -99.234 -12.247 1.00 50.34 H new ATOM 0 HA HIS A 7 -0.920 -97.754 -14.677 1.00 63.10 H new ATOM 0 HB2 HIS A 7 -2.941 -98.606 -15.582 1.00 52.13 H new ATOM 0 HB3 HIS A 7 -1.748 -99.890 -15.570 1.00 52.13 H new ATOM 0 HD2 HIS A 7 -5.190 -99.035 -13.900 1.00 61.14 H new ATOM 0 HE1 HIS A 7 -4.235-103.044 -12.967 1.00 65.13 H new ATOM 0 HE2 HIS A 7 -6.019-101.260 -12.846 1.00 23.11 H new ATOM 117 N HIS A 8 -2.667 -96.374 -13.363 1.00 62.42 N ATOM 118 CA HIS A 8 -3.381 -95.445 -12.463 1.00 73.11 C ATOM 119 C HIS A 8 -4.783 -95.121 -12.985 1.00 10.21 C ATOM 120 O HIS A 8 -5.104 -95.383 -14.145 1.00 52.15 O ATOM 121 CB HIS A 8 -2.556 -94.146 -12.289 1.00 55.21 C ATOM 122 CG HIS A 8 -1.279 -94.335 -11.513 1.00 73.44 C ATOM 123 ND1 HIS A 8 -1.177 -94.094 -10.160 1.00 12.52 N ATOM 124 CD2 HIS A 8 -0.051 -94.757 -11.904 1.00 61.51 C ATOM 125 CE1 HIS A 8 0.045 -94.363 -9.757 1.00 31.11 C ATOM 126 NE2 HIS A 8 0.751 -94.769 -10.791 1.00 43.22 N ATOM 0 H HIS A 8 -2.479 -95.986 -14.287 1.00 62.42 H new ATOM 0 HA HIS A 8 -3.497 -95.932 -11.495 1.00 73.11 H new ATOM 0 HB2 HIS A 8 -2.316 -93.745 -13.274 1.00 55.21 H new ATOM 0 HB3 HIS A 8 -3.171 -93.402 -11.783 1.00 55.21 H new ATOM 0 HD2 HIS A 8 0.242 -95.033 -12.906 1.00 61.51 H new ATOM 0 HE1 HIS A 8 0.409 -94.267 -8.745 1.00 31.11 H new ATOM 0 HE2 HIS A 8 1.732 -95.047 -10.769 1.00 43.22 H new ATOM 135 N SER A 9 -5.613 -94.541 -12.102 1.00 44.13 N ATOM 136 CA SER A 9 -6.988 -94.140 -12.426 1.00 73.24 C ATOM 137 C SER A 9 -7.269 -92.753 -11.814 1.00 73.25 C ATOM 138 O SER A 9 -7.538 -92.624 -10.615 1.00 2.40 O ATOM 139 CB SER A 9 -7.996 -95.205 -11.916 1.00 53.22 C ATOM 140 OG SER A 9 -9.323 -94.916 -12.341 1.00 42.12 O ATOM 0 H SER A 9 -5.345 -94.337 -11.139 1.00 44.13 H new ATOM 0 HA SER A 9 -7.108 -94.072 -13.507 1.00 73.24 H new ATOM 0 HB2 SER A 9 -7.702 -96.189 -12.281 1.00 53.22 H new ATOM 0 HB3 SER A 9 -7.963 -95.246 -10.827 1.00 53.22 H new ATOM 0 HG SER A 9 -9.932 -95.606 -12.004 1.00 42.12 H new ATOM 146 N HIS A 10 -7.123 -91.717 -12.643 1.00 1.14 N ATOM 147 CA HIS A 10 -7.497 -90.331 -12.313 1.00 60.42 C ATOM 148 C HIS A 10 -8.172 -89.715 -13.540 1.00 52.15 C ATOM 149 O HIS A 10 -7.527 -89.554 -14.579 1.00 63.12 O ATOM 150 CB HIS A 10 -6.261 -89.478 -11.876 1.00 43.54 C ATOM 151 CG HIS A 10 -5.948 -89.514 -10.396 1.00 71.20 C ATOM 152 ND1 HIS A 10 -4.689 -89.767 -9.883 1.00 54.21 N ATOM 153 CD2 HIS A 10 -6.734 -89.255 -9.320 1.00 12.13 C ATOM 154 CE1 HIS A 10 -4.722 -89.663 -8.570 1.00 33.41 C ATOM 155 NE2 HIS A 10 -5.946 -89.356 -8.206 1.00 53.42 N ATOM 0 H HIS A 10 -6.735 -91.815 -13.581 1.00 1.14 H new ATOM 0 HA HIS A 10 -8.182 -90.339 -11.465 1.00 60.42 H new ATOM 0 HB2 HIS A 10 -5.386 -89.826 -12.425 1.00 43.54 H new ATOM 0 HB3 HIS A 10 -6.431 -88.442 -12.171 1.00 43.54 H new ATOM 0 HD2 HIS A 10 -7.787 -89.014 -9.340 1.00 12.13 H new ATOM 0 HE1 HIS A 10 -3.883 -89.806 -7.905 1.00 33.41 H new ATOM 0 HE2 HIS A 10 -6.259 -89.215 -7.246 1.00 53.42 H new ATOM 164 N MET A 11 -9.480 -89.445 -13.422 1.00 74.13 N ATOM 165 CA MET A 11 -10.264 -88.751 -14.449 1.00 63.25 C ATOM 166 C MET A 11 -10.100 -87.221 -14.281 1.00 33.01 C ATOM 167 O MET A 11 -10.634 -86.649 -13.322 1.00 62.33 O ATOM 168 CB MET A 11 -11.754 -89.181 -14.340 1.00 73.22 C ATOM 169 CG MET A 11 -12.742 -88.376 -15.194 1.00 34.02 C ATOM 170 SD MET A 11 -14.445 -88.975 -15.055 1.00 21.23 S ATOM 171 CE MET A 11 -14.695 -89.028 -13.266 1.00 43.10 C ATOM 0 H MET A 11 -10.027 -89.706 -12.602 1.00 74.13 H new ATOM 0 HA MET A 11 -9.905 -89.021 -15.442 1.00 63.25 H new ATOM 0 HB2 MET A 11 -11.832 -90.231 -14.620 1.00 73.22 H new ATOM 0 HB3 MET A 11 -12.059 -89.106 -13.296 1.00 73.22 H new ATOM 0 HG2 MET A 11 -12.705 -87.329 -14.893 1.00 34.02 H new ATOM 0 HG3 MET A 11 -12.431 -88.419 -16.238 1.00 34.02 H new ATOM 0 HE1 MET A 11 -15.763 -89.064 -13.049 1.00 43.10 H new ATOM 0 HE2 MET A 11 -14.211 -89.915 -12.857 1.00 43.10 H new ATOM 0 HE3 MET A 11 -14.262 -88.137 -12.812 1.00 43.10 H new ATOM 181 N PRO A 12 -9.310 -86.535 -15.177 1.00 2.34 N ATOM 182 CA PRO A 12 -9.129 -85.078 -15.123 1.00 53.34 C ATOM 183 C PRO A 12 -10.271 -84.354 -15.861 1.00 32.23 C ATOM 184 O PRO A 12 -10.567 -84.678 -17.020 1.00 35.22 O ATOM 185 CB PRO A 12 -7.748 -84.851 -15.816 1.00 52.53 C ATOM 186 CG PRO A 12 -7.292 -86.214 -16.298 1.00 45.42 C ATOM 187 CD PRO A 12 -8.525 -87.094 -16.307 1.00 70.20 C ATOM 0 HA PRO A 12 -9.150 -84.680 -14.108 1.00 53.34 H new ATOM 0 HB2 PRO A 12 -7.839 -84.153 -16.649 1.00 52.53 H new ATOM 0 HB3 PRO A 12 -7.028 -84.423 -15.119 1.00 52.53 H new ATOM 0 HG2 PRO A 12 -6.854 -86.148 -17.294 1.00 45.42 H new ATOM 0 HG3 PRO A 12 -6.526 -86.624 -15.639 1.00 45.42 H new ATOM 0 HD2 PRO A 12 -9.066 -87.029 -17.251 1.00 70.20 H new ATOM 0 HD3 PRO A 12 -8.278 -88.144 -16.152 1.00 70.20 H new ATOM 195 N ASN A 13 -10.908 -83.391 -15.182 1.00 53.11 N ATOM 196 CA ASN A 13 -12.028 -82.609 -15.748 1.00 0.11 C ATOM 197 C ASN A 13 -12.337 -81.369 -14.895 1.00 20.11 C ATOM 198 O ASN A 13 -12.064 -81.337 -13.688 1.00 51.20 O ATOM 199 CB ASN A 13 -13.310 -83.475 -15.898 1.00 60.21 C ATOM 200 CG ASN A 13 -13.825 -84.059 -14.578 1.00 30.44 C ATOM 201 OD1 ASN A 13 -13.463 -85.166 -14.178 1.00 35.11 O ATOM 202 ND2 ASN A 13 -14.678 -83.316 -13.888 1.00 35.31 N ATOM 0 H ASN A 13 -10.666 -83.128 -14.227 1.00 53.11 H new ATOM 0 HA ASN A 13 -11.712 -82.281 -16.738 1.00 0.11 H new ATOM 0 HB2 ASN A 13 -14.096 -82.867 -16.346 1.00 60.21 H new ATOM 0 HB3 ASN A 13 -13.105 -84.292 -16.590 1.00 60.21 H new ATOM 0 HD21 ASN A 13 -15.051 -83.658 -13.002 1.00 35.31 H new ATOM 0 HD22 ASN A 13 -14.961 -82.402 -14.242 1.00 35.31 H new ATOM 209 N GLY A 14 -12.941 -80.372 -15.549 1.00 12.41 N ATOM 210 CA GLY A 14 -13.397 -79.135 -14.908 1.00 12.55 C ATOM 211 C GLY A 14 -14.330 -78.369 -15.835 1.00 5.23 C ATOM 212 O GLY A 14 -14.523 -78.780 -16.991 1.00 23.34 O ATOM 0 H GLY A 14 -13.129 -80.402 -16.551 1.00 12.41 H new ATOM 0 HA2 GLY A 14 -13.912 -79.369 -13.976 1.00 12.55 H new ATOM 0 HA3 GLY A 14 -12.539 -78.514 -14.651 1.00 12.55 H new ATOM 216 N LYS A 15 -14.928 -77.278 -15.339 1.00 33.23 N ATOM 217 CA LYS A 15 -15.844 -76.427 -16.124 1.00 72.51 C ATOM 218 C LYS A 15 -15.443 -74.948 -15.942 1.00 23.21 C ATOM 219 O LYS A 15 -15.626 -74.376 -14.864 1.00 34.41 O ATOM 220 CB LYS A 15 -17.337 -76.675 -15.712 1.00 74.40 C ATOM 221 CG LYS A 15 -17.877 -78.105 -15.998 1.00 50.42 C ATOM 222 CD LYS A 15 -17.798 -78.482 -17.490 1.00 35.31 C ATOM 223 CE LYS A 15 -18.245 -79.922 -17.756 1.00 13.54 C ATOM 224 NZ LYS A 15 -17.411 -80.918 -17.021 1.00 14.41 N ATOM 0 H LYS A 15 -14.793 -76.956 -14.381 1.00 33.23 H new ATOM 0 HA LYS A 15 -15.761 -76.686 -17.180 1.00 72.51 H new ATOM 0 HB2 LYS A 15 -17.441 -76.472 -14.646 1.00 74.40 H new ATOM 0 HB3 LYS A 15 -17.966 -75.955 -16.237 1.00 74.40 H new ATOM 0 HG2 LYS A 15 -17.307 -78.828 -15.414 1.00 50.42 H new ATOM 0 HG3 LYS A 15 -18.913 -78.171 -15.665 1.00 50.42 H new ATOM 0 HD2 LYS A 15 -18.421 -77.799 -18.067 1.00 35.31 H new ATOM 0 HD3 LYS A 15 -16.774 -78.352 -17.840 1.00 35.31 H new ATOM 0 HE2 LYS A 15 -19.288 -80.037 -17.461 1.00 13.54 H new ATOM 0 HE3 LYS A 15 -18.192 -80.125 -18.826 1.00 13.54 H new ATOM 0 HZ1 LYS A 15 -17.599 -81.871 -17.394 1.00 14.41 H new ATOM 0 HZ2 LYS A 15 -16.404 -80.689 -17.148 1.00 14.41 H new ATOM 0 HZ3 LYS A 15 -17.648 -80.889 -16.009 1.00 14.41 H new ATOM 238 N LEU A 16 -14.858 -74.343 -16.999 1.00 31.04 N ATOM 239 CA LEU A 16 -14.418 -72.936 -16.999 1.00 11.20 C ATOM 240 C LEU A 16 -15.318 -72.092 -17.941 1.00 1.34 C ATOM 241 O LEU A 16 -14.957 -71.774 -19.076 1.00 73.33 O ATOM 242 CB LEU A 16 -12.871 -72.840 -17.303 1.00 25.13 C ATOM 243 CG LEU A 16 -12.227 -73.946 -18.230 1.00 61.42 C ATOM 244 CD1 LEU A 16 -12.691 -73.848 -19.699 1.00 5.03 C ATOM 245 CD2 LEU A 16 -10.688 -73.921 -18.147 1.00 15.21 C ATOM 0 H LEU A 16 -14.678 -74.823 -17.881 1.00 31.04 H new ATOM 0 HA LEU A 16 -14.544 -72.502 -16.007 1.00 11.20 H new ATOM 0 HB2 LEU A 16 -12.680 -71.869 -17.760 1.00 25.13 H new ATOM 0 HB3 LEU A 16 -12.342 -72.854 -16.350 1.00 25.13 H new ATOM 0 HG LEU A 16 -12.583 -74.903 -17.848 1.00 61.42 H new ATOM 0 HD11 LEU A 16 -12.214 -74.634 -20.284 1.00 5.03 H new ATOM 0 HD12 LEU A 16 -13.774 -73.966 -19.747 1.00 5.03 H new ATOM 0 HD13 LEU A 16 -12.414 -72.875 -20.104 1.00 5.03 H new ATOM 0 HD21 LEU A 16 -10.276 -74.694 -18.796 1.00 15.21 H new ATOM 0 HD22 LEU A 16 -10.322 -72.945 -18.467 1.00 15.21 H new ATOM 0 HD23 LEU A 16 -10.376 -74.106 -17.119 1.00 15.21 H new ATOM 257 N LYS A 17 -16.529 -71.780 -17.447 1.00 13.11 N ATOM 258 CA LYS A 17 -17.532 -70.976 -18.180 1.00 41.21 C ATOM 259 C LYS A 17 -17.160 -69.484 -18.133 1.00 64.22 C ATOM 260 O LYS A 17 -17.343 -68.831 -17.099 1.00 60.44 O ATOM 261 CB LYS A 17 -18.952 -71.200 -17.576 1.00 11.05 C ATOM 262 CG LYS A 17 -19.399 -72.672 -17.581 1.00 63.35 C ATOM 263 CD LYS A 17 -20.803 -72.877 -16.977 1.00 44.30 C ATOM 264 CE LYS A 17 -21.272 -74.336 -17.094 1.00 33.51 C ATOM 265 NZ LYS A 17 -21.360 -74.781 -18.513 1.00 52.34 N ATOM 0 H LYS A 17 -16.844 -72.078 -16.524 1.00 13.11 H new ATOM 0 HA LYS A 17 -17.542 -71.298 -19.221 1.00 41.21 H new ATOM 0 HB2 LYS A 17 -18.964 -70.829 -16.551 1.00 11.05 H new ATOM 0 HB3 LYS A 17 -19.674 -70.608 -18.138 1.00 11.05 H new ATOM 0 HG2 LYS A 17 -19.392 -73.045 -18.605 1.00 63.35 H new ATOM 0 HG3 LYS A 17 -18.678 -73.267 -17.021 1.00 63.35 H new ATOM 0 HD2 LYS A 17 -20.793 -72.582 -15.928 1.00 44.30 H new ATOM 0 HD3 LYS A 17 -21.515 -72.226 -17.484 1.00 44.30 H new ATOM 0 HE2 LYS A 17 -20.582 -74.983 -16.553 1.00 33.51 H new ATOM 0 HE3 LYS A 17 -22.247 -74.443 -16.619 1.00 33.51 H new ATOM 0 HZ1 LYS A 17 -21.896 -75.671 -18.565 1.00 52.34 H new ATOM 0 HZ2 LYS A 17 -21.843 -74.052 -19.076 1.00 52.34 H new ATOM 0 HZ3 LYS A 17 -20.402 -74.932 -18.890 1.00 52.34 H new ATOM 279 N CYS A 18 -16.614 -68.974 -19.246 1.00 0.32 N ATOM 280 CA CYS A 18 -16.146 -67.586 -19.359 1.00 41.54 C ATOM 281 C CYS A 18 -17.335 -66.596 -19.340 1.00 31.01 C ATOM 282 O CYS A 18 -18.353 -66.832 -20.006 1.00 65.22 O ATOM 283 CB CYS A 18 -15.333 -67.435 -20.655 1.00 62.22 C ATOM 284 SG CYS A 18 -14.198 -68.802 -20.944 1.00 53.42 S ATOM 0 H CYS A 18 -16.484 -69.517 -20.099 1.00 0.32 H new ATOM 0 HA CYS A 18 -15.513 -67.351 -18.504 1.00 41.54 H new ATOM 0 HB2 CYS A 18 -16.018 -67.356 -21.499 1.00 62.22 H new ATOM 0 HB3 CYS A 18 -14.767 -66.504 -20.615 1.00 62.22 H new ATOM 0 HG CYS A 18 -13.552 -68.603 -22.055 1.00 53.42 H new ATOM 290 N ASP A 19 -17.193 -65.509 -18.566 1.00 74.44 N ATOM 291 CA ASP A 19 -18.253 -64.503 -18.384 1.00 52.33 C ATOM 292 C ASP A 19 -18.402 -63.600 -19.625 1.00 11.23 C ATOM 293 O ASP A 19 -17.413 -63.237 -20.266 1.00 71.12 O ATOM 294 CB ASP A 19 -17.946 -63.649 -17.129 1.00 3.41 C ATOM 295 CG ASP A 19 -19.012 -62.570 -16.846 1.00 55.12 C ATOM 296 OD1 ASP A 19 -20.056 -62.896 -16.230 1.00 74.22 O ATOM 297 OD2 ASP A 19 -18.818 -61.391 -17.238 1.00 23.40 O ATOM 0 H ASP A 19 -16.339 -65.302 -18.048 1.00 74.44 H new ATOM 0 HA ASP A 19 -19.200 -65.026 -18.248 1.00 52.33 H new ATOM 0 HB2 ASP A 19 -17.866 -64.306 -16.263 1.00 3.41 H new ATOM 0 HB3 ASP A 19 -16.976 -63.167 -17.255 1.00 3.41 H new ATOM 302 N VAL A 20 -19.654 -63.262 -19.958 1.00 53.12 N ATOM 303 CA VAL A 20 -19.979 -62.249 -20.970 1.00 42.20 C ATOM 304 C VAL A 20 -20.667 -61.060 -20.278 1.00 4.33 C ATOM 305 O VAL A 20 -21.501 -61.250 -19.380 1.00 44.33 O ATOM 306 CB VAL A 20 -20.863 -62.840 -22.132 1.00 50.25 C ATOM 307 CG1 VAL A 20 -22.188 -63.436 -21.616 1.00 52.21 C ATOM 308 CG2 VAL A 20 -21.104 -61.793 -23.251 1.00 41.23 C ATOM 0 H VAL A 20 -20.476 -63.687 -19.529 1.00 53.12 H new ATOM 0 HA VAL A 20 -19.057 -61.907 -21.440 1.00 42.20 H new ATOM 0 HB VAL A 20 -20.299 -63.665 -22.568 1.00 50.25 H new ATOM 0 HG11 VAL A 20 -22.761 -63.830 -22.455 1.00 52.21 H new ATOM 0 HG12 VAL A 20 -21.975 -64.241 -20.912 1.00 52.21 H new ATOM 0 HG13 VAL A 20 -22.766 -62.659 -21.115 1.00 52.21 H new ATOM 0 HG21 VAL A 20 -21.717 -62.235 -24.036 1.00 41.23 H new ATOM 0 HG22 VAL A 20 -21.617 -60.926 -22.834 1.00 41.23 H new ATOM 0 HG23 VAL A 20 -20.147 -61.481 -23.670 1.00 41.23 H new ATOM 318 N CYS A 21 -20.285 -59.842 -20.675 1.00 32.11 N ATOM 319 CA CYS A 21 -20.782 -58.598 -20.072 1.00 34.41 C ATOM 320 C CYS A 21 -20.953 -57.522 -21.145 1.00 44.20 C ATOM 321 O CYS A 21 -20.223 -57.518 -22.149 1.00 0.30 O ATOM 322 CB CYS A 21 -19.814 -58.102 -18.973 1.00 11.21 C ATOM 323 SG CYS A 21 -20.375 -56.596 -18.134 1.00 63.04 S ATOM 0 H CYS A 21 -19.617 -59.689 -21.430 1.00 32.11 H new ATOM 0 HA CYS A 21 -21.751 -58.800 -19.616 1.00 34.41 H new ATOM 0 HB2 CYS A 21 -19.682 -58.892 -18.233 1.00 11.21 H new ATOM 0 HB3 CYS A 21 -18.837 -57.917 -19.419 1.00 11.21 H new ATOM 0 HG CYS A 21 -19.506 -56.254 -17.229 1.00 63.04 H new ATOM 329 N GLY A 22 -21.927 -56.617 -20.932 1.00 70.42 N ATOM 330 CA GLY A 22 -22.151 -55.477 -21.816 1.00 3.20 C ATOM 331 C GLY A 22 -21.507 -54.219 -21.263 1.00 23.32 C ATOM 332 O GLY A 22 -21.751 -53.865 -20.104 1.00 41.32 O ATOM 0 H GLY A 22 -22.573 -56.662 -20.144 1.00 70.42 H new ATOM 0 HA2 GLY A 22 -21.743 -55.694 -22.803 1.00 3.20 H new ATOM 0 HA3 GLY A 22 -23.222 -55.316 -21.942 1.00 3.20 H new ATOM 336 N MET A 23 -20.658 -53.550 -22.060 1.00 60.53 N ATOM 337 CA MET A 23 -20.030 -52.288 -21.642 1.00 44.42 C ATOM 338 C MET A 23 -21.002 -51.111 -21.819 1.00 41.12 C ATOM 339 O MET A 23 -21.803 -51.089 -22.761 1.00 5.04 O ATOM 340 CB MET A 23 -18.719 -52.024 -22.433 1.00 12.40 C ATOM 341 CG MET A 23 -18.879 -51.907 -23.963 1.00 61.24 C ATOM 342 SD MET A 23 -17.374 -51.350 -24.789 1.00 24.34 S ATOM 343 CE MET A 23 -17.214 -49.667 -24.177 1.00 44.21 C ATOM 0 H MET A 23 -20.392 -53.861 -22.994 1.00 60.53 H new ATOM 0 HA MET A 23 -19.779 -52.378 -20.585 1.00 44.42 H new ATOM 0 HB2 MET A 23 -18.270 -51.103 -22.061 1.00 12.40 H new ATOM 0 HB3 MET A 23 -18.017 -52.830 -22.219 1.00 12.40 H new ATOM 0 HG2 MET A 23 -19.171 -52.876 -24.367 1.00 61.24 H new ATOM 0 HG3 MET A 23 -19.688 -51.211 -24.186 1.00 61.24 H new ATOM 0 HE1 MET A 23 -16.554 -49.102 -24.835 1.00 44.21 H new ATOM 0 HE2 MET A 23 -18.196 -49.194 -24.153 1.00 44.21 H new ATOM 0 HE3 MET A 23 -16.795 -49.684 -23.171 1.00 44.21 H new ATOM 353 N VAL A 24 -20.937 -50.146 -20.892 1.00 63.31 N ATOM 354 CA VAL A 24 -21.645 -48.860 -21.040 1.00 61.43 C ATOM 355 C VAL A 24 -20.842 -47.929 -21.974 1.00 64.04 C ATOM 356 O VAL A 24 -19.640 -48.151 -22.196 1.00 0.53 O ATOM 357 CB VAL A 24 -21.891 -48.164 -19.652 1.00 64.31 C ATOM 358 CG1 VAL A 24 -22.744 -49.063 -18.729 1.00 24.01 C ATOM 359 CG2 VAL A 24 -20.562 -47.765 -18.962 1.00 71.01 C ATOM 0 H VAL A 24 -20.401 -50.229 -20.028 1.00 63.31 H new ATOM 0 HA VAL A 24 -22.622 -49.062 -21.478 1.00 61.43 H new ATOM 0 HB VAL A 24 -22.445 -47.245 -19.843 1.00 64.31 H new ATOM 0 HG11 VAL A 24 -22.901 -48.560 -17.775 1.00 24.01 H new ATOM 0 HG12 VAL A 24 -23.708 -49.257 -19.200 1.00 24.01 H new ATOM 0 HG13 VAL A 24 -22.226 -50.007 -18.561 1.00 24.01 H new ATOM 0 HG21 VAL A 24 -20.777 -47.287 -18.006 1.00 71.01 H new ATOM 0 HG22 VAL A 24 -19.957 -48.656 -18.794 1.00 71.01 H new ATOM 0 HG23 VAL A 24 -20.015 -47.070 -19.600 1.00 71.01 H new ATOM 369 N CYS A 25 -21.502 -46.897 -22.513 1.00 70.04 N ATOM 370 CA CYS A 25 -20.854 -45.906 -23.389 1.00 35.41 C ATOM 371 C CYS A 25 -21.536 -44.547 -23.246 1.00 32.22 C ATOM 372 O CYS A 25 -22.766 -44.460 -23.207 1.00 30.20 O ATOM 373 CB CYS A 25 -20.885 -46.348 -24.871 1.00 53.21 C ATOM 374 SG CYS A 25 -20.124 -45.162 -26.012 1.00 1.45 S ATOM 0 H CYS A 25 -22.495 -46.723 -22.357 1.00 70.04 H new ATOM 0 HA CYS A 25 -19.812 -45.827 -23.079 1.00 35.41 H new ATOM 0 HB2 CYS A 25 -20.373 -47.306 -24.964 1.00 53.21 H new ATOM 0 HB3 CYS A 25 -21.921 -46.510 -25.169 1.00 53.21 H new ATOM 0 HG CYS A 25 -20.197 -45.620 -27.226 1.00 1.45 H new ATOM 380 N ILE A 26 -20.715 -43.498 -23.130 1.00 51.23 N ATOM 381 CA ILE A 26 -21.157 -42.097 -23.144 1.00 11.33 C ATOM 382 C ILE A 26 -20.589 -41.433 -24.417 1.00 2.23 C ATOM 383 O ILE A 26 -19.541 -41.863 -24.925 1.00 72.44 O ATOM 384 CB ILE A 26 -20.660 -41.343 -21.842 1.00 10.54 C ATOM 385 CG1 ILE A 26 -21.190 -42.061 -20.556 1.00 20.33 C ATOM 386 CG2 ILE A 26 -21.066 -39.845 -21.845 1.00 10.11 C ATOM 387 CD1 ILE A 26 -20.736 -41.444 -19.239 1.00 54.02 C ATOM 0 H ILE A 26 -19.706 -43.599 -23.022 1.00 51.23 H new ATOM 0 HA ILE A 26 -22.246 -42.044 -23.151 1.00 11.33 H new ATOM 0 HB ILE A 26 -19.571 -41.380 -21.840 1.00 10.54 H new ATOM 0 HG12 ILE A 26 -22.280 -42.063 -20.582 1.00 20.33 H new ATOM 0 HG13 ILE A 26 -20.869 -43.102 -20.581 1.00 20.33 H new ATOM 0 HG21 ILE A 26 -20.705 -39.368 -20.934 1.00 10.11 H new ATOM 0 HG22 ILE A 26 -20.627 -39.351 -22.712 1.00 10.11 H new ATOM 0 HG23 ILE A 26 -22.152 -39.762 -21.891 1.00 10.11 H new ATOM 0 HD11 ILE A 26 -21.155 -42.011 -18.408 1.00 54.02 H new ATOM 0 HD12 ILE A 26 -19.648 -41.467 -19.182 1.00 54.02 H new ATOM 0 HD13 ILE A 26 -21.080 -40.411 -19.183 1.00 54.02 H new ATOM 399 N GLY A 27 -21.296 -40.422 -24.945 1.00 52.33 N ATOM 400 CA GLY A 27 -20.836 -39.661 -26.113 1.00 5.11 C ATOM 401 C GLY A 27 -19.667 -38.708 -25.819 1.00 33.41 C ATOM 402 O GLY A 27 -19.157 -38.681 -24.691 1.00 3.32 O ATOM 0 H GLY A 27 -22.195 -40.112 -24.577 1.00 52.33 H new ATOM 0 HA2 GLY A 27 -20.534 -40.360 -26.893 1.00 5.11 H new ATOM 0 HA3 GLY A 27 -21.671 -39.083 -26.509 1.00 5.11 H new ATOM 406 N PRO A 28 -19.213 -37.900 -26.828 1.00 24.22 N ATOM 407 CA PRO A 28 -18.094 -36.929 -26.657 1.00 74.04 C ATOM 408 C PRO A 28 -18.520 -35.675 -25.863 1.00 75.22 C ATOM 409 O PRO A 28 -19.722 -35.420 -25.675 1.00 11.34 O ATOM 410 CB PRO A 28 -17.720 -36.587 -28.119 1.00 10.03 C ATOM 411 CG PRO A 28 -19.002 -36.736 -28.882 1.00 3.20 C ATOM 412 CD PRO A 28 -19.753 -37.875 -28.218 1.00 44.14 C ATOM 0 HA PRO A 28 -17.263 -37.334 -26.079 1.00 74.04 H new ATOM 0 HB2 PRO A 28 -17.325 -35.574 -28.201 1.00 10.03 H new ATOM 0 HB3 PRO A 28 -16.952 -37.260 -28.499 1.00 10.03 H new ATOM 0 HG2 PRO A 28 -19.584 -35.815 -28.851 1.00 3.20 H new ATOM 0 HG3 PRO A 28 -18.808 -36.956 -29.932 1.00 3.20 H new ATOM 0 HD2 PRO A 28 -20.829 -37.702 -28.225 1.00 44.14 H new ATOM 0 HD3 PRO A 28 -19.579 -38.821 -28.731 1.00 44.14 H new ATOM 420 N ASN A 29 -17.534 -34.868 -25.424 1.00 44.40 N ATOM 421 CA ASN A 29 -17.785 -33.660 -24.592 1.00 52.40 C ATOM 422 C ASN A 29 -18.149 -32.433 -25.460 1.00 32.13 C ATOM 423 O ASN A 29 -17.854 -31.290 -25.095 1.00 22.13 O ATOM 424 CB ASN A 29 -16.549 -33.361 -23.681 1.00 72.11 C ATOM 425 CG ASN A 29 -15.308 -32.838 -24.430 1.00 42.24 C ATOM 426 OD1 ASN A 29 -15.048 -33.216 -25.572 1.00 23.02 O ATOM 427 ND2 ASN A 29 -14.536 -31.962 -23.791 1.00 10.52 N ATOM 0 H ASN A 29 -16.548 -35.027 -25.630 1.00 44.40 H new ATOM 0 HA ASN A 29 -18.644 -33.865 -23.953 1.00 52.40 H new ATOM 0 HB2 ASN A 29 -16.838 -32.627 -22.929 1.00 72.11 H new ATOM 0 HB3 ASN A 29 -16.278 -34.273 -23.149 1.00 72.11 H new ATOM 0 HD21 ASN A 29 -13.705 -31.586 -24.248 1.00 10.52 H new ATOM 0 HD22 ASN A 29 -14.776 -31.666 -22.845 1.00 10.52 H new ATOM 434 N VAL A 30 -18.859 -32.681 -26.574 1.00 4.11 N ATOM 435 CA VAL A 30 -19.224 -31.645 -27.550 1.00 71.11 C ATOM 436 C VAL A 30 -20.105 -30.532 -26.938 1.00 60.44 C ATOM 437 O VAL A 30 -20.003 -29.375 -27.346 1.00 40.52 O ATOM 438 CB VAL A 30 -19.905 -32.259 -28.824 1.00 52.45 C ATOM 439 CG1 VAL A 30 -18.872 -33.016 -29.688 1.00 31.23 C ATOM 440 CG2 VAL A 30 -21.084 -33.181 -28.439 1.00 72.03 C ATOM 0 H VAL A 30 -19.196 -33.611 -26.822 1.00 4.11 H new ATOM 0 HA VAL A 30 -18.288 -31.179 -27.858 1.00 71.11 H new ATOM 0 HB VAL A 30 -20.306 -31.437 -29.417 1.00 52.45 H new ATOM 0 HG11 VAL A 30 -19.367 -33.433 -30.565 1.00 31.23 H new ATOM 0 HG12 VAL A 30 -18.089 -32.327 -30.006 1.00 31.23 H new ATOM 0 HG13 VAL A 30 -18.430 -33.823 -29.103 1.00 31.23 H new ATOM 0 HG21 VAL A 30 -21.535 -33.591 -29.342 1.00 72.03 H new ATOM 0 HG22 VAL A 30 -20.719 -33.996 -27.813 1.00 72.03 H new ATOM 0 HG23 VAL A 30 -21.830 -32.607 -27.889 1.00 72.03 H new ATOM 450 N LEU A 31 -20.941 -30.866 -25.936 1.00 0.42 N ATOM 451 CA LEU A 31 -21.751 -29.856 -25.218 1.00 43.31 C ATOM 452 C LEU A 31 -20.808 -28.931 -24.415 1.00 73.25 C ATOM 453 O LEU A 31 -20.940 -27.703 -24.458 1.00 32.33 O ATOM 454 CB LEU A 31 -22.806 -30.504 -24.266 1.00 63.43 C ATOM 455 CG LEU A 31 -23.969 -31.336 -24.924 1.00 13.31 C ATOM 456 CD1 LEU A 31 -24.746 -30.517 -25.973 1.00 44.01 C ATOM 457 CD2 LEU A 31 -23.473 -32.680 -25.507 1.00 0.44 C ATOM 0 H LEU A 31 -21.075 -31.821 -25.605 1.00 0.42 H new ATOM 0 HA LEU A 31 -22.306 -29.282 -25.960 1.00 43.31 H new ATOM 0 HB2 LEU A 31 -22.276 -31.157 -23.573 1.00 63.43 H new ATOM 0 HB3 LEU A 31 -23.256 -29.708 -23.673 1.00 63.43 H new ATOM 0 HG LEU A 31 -24.666 -31.576 -24.121 1.00 13.31 H new ATOM 0 HD11 LEU A 31 -25.538 -31.131 -26.400 1.00 44.01 H new ATOM 0 HD12 LEU A 31 -25.184 -29.639 -25.498 1.00 44.01 H new ATOM 0 HD13 LEU A 31 -24.066 -30.200 -26.764 1.00 44.01 H new ATOM 0 HD21 LEU A 31 -24.312 -33.217 -25.949 1.00 0.44 H new ATOM 0 HD22 LEU A 31 -22.721 -32.489 -26.272 1.00 0.44 H new ATOM 0 HD23 LEU A 31 -23.036 -33.283 -24.711 1.00 0.44 H new ATOM 469 N MET A 32 -19.829 -29.551 -23.722 1.00 53.33 N ATOM 470 CA MET A 32 -18.863 -28.840 -22.858 1.00 52.41 C ATOM 471 C MET A 32 -17.920 -27.913 -23.659 1.00 31.13 C ATOM 472 O MET A 32 -17.614 -26.814 -23.196 1.00 70.43 O ATOM 473 CB MET A 32 -18.046 -29.849 -21.996 1.00 64.43 C ATOM 474 CG MET A 32 -16.935 -29.207 -21.137 1.00 71.35 C ATOM 475 SD MET A 32 -17.552 -27.878 -20.077 1.00 71.24 S ATOM 476 CE MET A 32 -16.029 -27.198 -19.417 1.00 10.43 C ATOM 0 H MET A 32 -19.686 -30.561 -23.746 1.00 53.33 H new ATOM 0 HA MET A 32 -19.444 -28.201 -22.194 1.00 52.41 H new ATOM 0 HB2 MET A 32 -18.732 -30.384 -21.339 1.00 64.43 H new ATOM 0 HB3 MET A 32 -17.595 -30.589 -22.657 1.00 64.43 H new ATOM 0 HG2 MET A 32 -16.471 -29.975 -20.517 1.00 71.35 H new ATOM 0 HG3 MET A 32 -16.158 -28.813 -21.791 1.00 71.35 H new ATOM 0 HE1 MET A 32 -16.261 -26.370 -18.747 1.00 10.43 H new ATOM 0 HE2 MET A 32 -15.494 -27.972 -18.867 1.00 10.43 H new ATOM 0 HE3 MET A 32 -15.406 -26.839 -20.236 1.00 10.43 H new ATOM 486 N VAL A 33 -17.462 -28.346 -24.848 1.00 31.32 N ATOM 487 CA VAL A 33 -16.542 -27.530 -25.680 1.00 31.45 C ATOM 488 C VAL A 33 -17.269 -26.277 -26.231 1.00 34.51 C ATOM 489 O VAL A 33 -16.678 -25.189 -26.325 1.00 31.33 O ATOM 490 CB VAL A 33 -15.882 -28.365 -26.843 1.00 23.11 C ATOM 491 CG1 VAL A 33 -16.908 -28.850 -27.874 1.00 73.02 C ATOM 492 CG2 VAL A 33 -14.741 -27.594 -27.546 1.00 44.50 C ATOM 0 H VAL A 33 -17.708 -29.248 -25.256 1.00 31.32 H new ATOM 0 HA VAL A 33 -15.729 -27.201 -25.033 1.00 31.45 H new ATOM 0 HB VAL A 33 -15.450 -29.243 -26.363 1.00 23.11 H new ATOM 0 HG11 VAL A 33 -16.400 -29.419 -28.653 1.00 73.02 H new ATOM 0 HG12 VAL A 33 -17.645 -29.485 -27.383 1.00 73.02 H new ATOM 0 HG13 VAL A 33 -17.409 -27.991 -28.321 1.00 73.02 H new ATOM 0 HG21 VAL A 33 -14.319 -28.212 -28.339 1.00 44.50 H new ATOM 0 HG22 VAL A 33 -15.135 -26.672 -27.975 1.00 44.50 H new ATOM 0 HG23 VAL A 33 -13.964 -27.354 -26.821 1.00 44.50 H new ATOM 502 N HIS A 34 -18.568 -26.432 -26.553 1.00 51.04 N ATOM 503 CA HIS A 34 -19.433 -25.313 -26.980 1.00 72.12 C ATOM 504 C HIS A 34 -19.737 -24.375 -25.794 1.00 62.12 C ATOM 505 O HIS A 34 -19.885 -23.160 -25.980 1.00 33.03 O ATOM 506 CB HIS A 34 -20.752 -25.839 -27.603 1.00 1.34 C ATOM 507 CG HIS A 34 -20.598 -26.524 -28.945 1.00 65.01 C ATOM 508 ND1 HIS A 34 -21.039 -27.806 -29.211 1.00 11.42 N ATOM 509 CD2 HIS A 34 -20.044 -26.089 -30.101 1.00 32.11 C ATOM 510 CE1 HIS A 34 -20.776 -28.113 -30.465 1.00 52.22 C ATOM 511 NE2 HIS A 34 -20.173 -27.093 -31.021 1.00 20.22 N ATOM 0 H HIS A 34 -19.046 -27.332 -26.525 1.00 51.04 H new ATOM 0 HA HIS A 34 -18.897 -24.746 -27.741 1.00 72.12 H new ATOM 0 HB2 HIS A 34 -21.212 -26.539 -26.905 1.00 1.34 H new ATOM 0 HB3 HIS A 34 -21.442 -25.002 -27.716 1.00 1.34 H new ATOM 0 HD1 HIS A 34 -21.498 -28.421 -28.539 1.00 11.42 H new ATOM 0 HD2 HIS A 34 -19.584 -25.126 -30.267 1.00 32.11 H new ATOM 0 HE1 HIS A 34 -21.017 -29.047 -30.951 1.00 52.22 H new ATOM 520 N LYS A 35 -19.829 -24.956 -24.578 1.00 14.13 N ATOM 521 CA LYS A 35 -20.065 -24.200 -23.335 1.00 4.01 C ATOM 522 C LYS A 35 -18.803 -23.401 -22.950 1.00 61.24 C ATOM 523 O LYS A 35 -18.894 -22.269 -22.476 1.00 13.42 O ATOM 524 CB LYS A 35 -20.466 -25.163 -22.185 1.00 14.34 C ATOM 525 CG LYS A 35 -20.783 -24.467 -20.839 1.00 15.12 C ATOM 526 CD LYS A 35 -22.028 -23.553 -20.903 1.00 5.54 C ATOM 527 CE LYS A 35 -22.247 -22.750 -19.607 1.00 74.10 C ATOM 528 NZ LYS A 35 -22.343 -23.626 -18.406 1.00 4.51 N ATOM 0 H LYS A 35 -19.741 -25.962 -24.434 1.00 14.13 H new ATOM 0 HA LYS A 35 -20.884 -23.500 -23.502 1.00 4.01 H new ATOM 0 HB2 LYS A 35 -21.340 -25.736 -22.497 1.00 14.34 H new ATOM 0 HB3 LYS A 35 -19.657 -25.876 -22.028 1.00 14.34 H new ATOM 0 HG2 LYS A 35 -20.937 -25.226 -20.072 1.00 15.12 H new ATOM 0 HG3 LYS A 35 -19.921 -23.875 -20.532 1.00 15.12 H new ATOM 0 HD2 LYS A 35 -21.923 -22.862 -21.740 1.00 5.54 H new ATOM 0 HD3 LYS A 35 -22.910 -24.162 -21.101 1.00 5.54 H new ATOM 0 HE2 LYS A 35 -21.425 -22.046 -19.475 1.00 74.10 H new ATOM 0 HE3 LYS A 35 -23.160 -22.161 -19.698 1.00 74.10 H new ATOM 0 HZ1 LYS A 35 -22.541 -23.044 -17.567 1.00 4.51 H new ATOM 0 HZ2 LYS A 35 -23.111 -24.314 -18.539 1.00 4.51 H new ATOM 0 HZ3 LYS A 35 -21.444 -24.132 -18.272 1.00 4.51 H new ATOM 542 N ARG A 36 -17.628 -24.007 -23.203 1.00 41.44 N ATOM 543 CA ARG A 36 -16.310 -23.419 -22.881 1.00 64.34 C ATOM 544 C ARG A 36 -15.970 -22.301 -23.884 1.00 33.53 C ATOM 545 O ARG A 36 -15.118 -21.446 -23.615 1.00 72.21 O ATOM 546 CB ARG A 36 -15.224 -24.530 -22.885 1.00 51.25 C ATOM 547 CG ARG A 36 -13.849 -24.119 -22.301 1.00 54.32 C ATOM 548 CD ARG A 36 -13.943 -23.693 -20.822 1.00 14.14 C ATOM 549 NE ARG A 36 -12.647 -23.301 -20.252 1.00 35.50 N ATOM 550 CZ ARG A 36 -12.432 -23.049 -18.955 1.00 64.14 C ATOM 551 NH1 ARG A 36 -13.418 -23.120 -18.069 1.00 64.14 N ATOM 552 NH2 ARG A 36 -11.225 -22.716 -18.541 1.00 73.34 N ATOM 0 H ARG A 36 -17.564 -24.926 -23.640 1.00 41.44 H new ATOM 0 HA ARG A 36 -16.343 -22.977 -21.885 1.00 64.34 H new ATOM 0 HB2 ARG A 36 -15.599 -25.383 -22.320 1.00 51.25 H new ATOM 0 HB3 ARG A 36 -15.078 -24.867 -23.911 1.00 51.25 H new ATOM 0 HG2 ARG A 36 -13.154 -24.954 -22.393 1.00 54.32 H new ATOM 0 HG3 ARG A 36 -13.439 -23.297 -22.888 1.00 54.32 H new ATOM 0 HD2 ARG A 36 -14.639 -22.859 -20.734 1.00 14.14 H new ATOM 0 HD3 ARG A 36 -14.356 -24.516 -20.239 1.00 14.14 H new ATOM 0 HE ARG A 36 -11.855 -23.215 -20.889 1.00 35.50 H new ATOM 0 HH11 ARG A 36 -14.359 -23.370 -18.372 1.00 64.14 H new ATOM 0 HH12 ARG A 36 -13.234 -22.924 -17.085 1.00 64.14 H new ATOM 0 HH21 ARG A 36 -10.457 -22.651 -19.209 1.00 73.34 H new ATOM 0 HH22 ARG A 36 -11.060 -22.524 -17.553 1.00 73.34 H new ATOM 566 N SER A 37 -16.665 -22.315 -25.043 1.00 62.12 N ATOM 567 CA SER A 37 -16.608 -21.232 -26.037 1.00 13.51 C ATOM 568 C SER A 37 -17.276 -19.949 -25.487 1.00 63.12 C ATOM 569 O SER A 37 -17.107 -18.868 -26.044 1.00 12.23 O ATOM 570 CB SER A 37 -17.276 -21.696 -27.350 1.00 63.00 C ATOM 571 OG SER A 37 -17.196 -20.715 -28.377 1.00 33.53 O ATOM 0 H SER A 37 -17.282 -23.082 -25.312 1.00 62.12 H new ATOM 0 HA SER A 37 -15.565 -20.992 -26.246 1.00 13.51 H new ATOM 0 HB2 SER A 37 -16.799 -22.615 -27.692 1.00 63.00 H new ATOM 0 HB3 SER A 37 -18.323 -21.932 -27.158 1.00 63.00 H new ATOM 0 HG SER A 37 -17.016 -19.838 -27.978 1.00 33.53 H new ATOM 577 N HIS A 38 -18.049 -20.089 -24.394 1.00 2.25 N ATOM 578 CA HIS A 38 -18.580 -18.948 -23.609 1.00 73.03 C ATOM 579 C HIS A 38 -17.602 -18.585 -22.472 1.00 10.43 C ATOM 580 O HIS A 38 -16.535 -19.206 -22.351 1.00 62.02 O ATOM 581 CB HIS A 38 -19.986 -19.293 -23.063 1.00 3.33 C ATOM 582 CG HIS A 38 -21.006 -19.557 -24.139 1.00 75.43 C ATOM 583 ND1 HIS A 38 -21.069 -20.747 -24.834 1.00 42.12 N ATOM 584 CD2 HIS A 38 -21.978 -18.770 -24.672 1.00 64.33 C ATOM 585 CE1 HIS A 38 -22.020 -20.677 -25.739 1.00 25.24 C ATOM 586 NE2 HIS A 38 -22.584 -19.495 -25.662 1.00 63.11 N ATOM 0 H HIS A 38 -18.327 -20.999 -24.025 1.00 2.25 H new ATOM 0 HA HIS A 38 -18.676 -18.075 -24.255 1.00 73.03 H new ATOM 0 HB2 HIS A 38 -19.912 -20.172 -22.422 1.00 3.33 H new ATOM 0 HB3 HIS A 38 -20.335 -18.471 -22.438 1.00 3.33 H new ATOM 0 HD1 HIS A 38 -20.470 -21.556 -24.671 1.00 42.12 H new ATOM 0 HD2 HIS A 38 -22.225 -17.763 -24.371 1.00 64.33 H new ATOM 0 HE1 HIS A 38 -22.292 -21.461 -26.430 1.00 25.24 H new ATOM 595 N THR A 39 -17.986 -17.590 -21.650 1.00 35.04 N ATOM 596 CA THR A 39 -17.116 -16.969 -20.633 1.00 75.41 C ATOM 597 C THR A 39 -15.978 -16.195 -21.333 1.00 75.20 C ATOM 598 O THR A 39 -14.831 -16.666 -21.426 1.00 64.24 O ATOM 599 CB THR A 39 -16.575 -18.002 -19.570 1.00 70.05 C ATOM 600 OG1 THR A 39 -17.681 -18.740 -19.019 1.00 40.10 O ATOM 601 CG2 THR A 39 -15.797 -17.327 -18.429 1.00 32.34 C ATOM 0 H THR A 39 -18.924 -17.189 -21.674 1.00 35.04 H new ATOM 0 HA THR A 39 -17.717 -16.265 -20.058 1.00 75.41 H new ATOM 0 HB THR A 39 -15.883 -18.667 -20.086 1.00 70.05 H new ATOM 0 HG1 THR A 39 -17.348 -19.384 -18.359 1.00 40.10 H new ATOM 0 HG21 THR A 39 -15.449 -18.085 -17.728 1.00 32.34 H new ATOM 0 HG22 THR A 39 -14.941 -16.792 -18.839 1.00 32.34 H new ATOM 0 HG23 THR A 39 -16.449 -16.625 -17.910 1.00 32.34 H new ATOM 609 N GLY A 40 -16.347 -15.018 -21.893 1.00 41.02 N ATOM 610 CA GLY A 40 -15.402 -14.125 -22.571 1.00 43.41 C ATOM 611 C GLY A 40 -14.388 -13.498 -21.632 1.00 51.54 C ATOM 612 O GLY A 40 -13.382 -12.946 -22.082 1.00 52.54 O ATOM 0 H GLY A 40 -17.306 -14.670 -21.883 1.00 41.02 H new ATOM 0 HA2 GLY A 40 -14.874 -14.685 -23.343 1.00 43.41 H new ATOM 0 HA3 GLY A 40 -15.958 -13.334 -23.075 1.00 43.41 H new ATOM 616 N GLU A 41 -14.674 -13.582 -20.321 1.00 41.51 N ATOM 617 CA GLU A 41 -13.762 -13.173 -19.247 1.00 50.23 C ATOM 618 C GLU A 41 -12.595 -14.178 -19.126 1.00 24.02 C ATOM 619 O GLU A 41 -12.566 -15.033 -18.227 1.00 64.41 O ATOM 620 CB GLU A 41 -14.557 -13.077 -17.912 1.00 54.23 C ATOM 621 CG GLU A 41 -13.750 -12.534 -16.702 1.00 31.33 C ATOM 622 CD GLU A 41 -14.452 -12.784 -15.363 1.00 4.30 C ATOM 623 OE1 GLU A 41 -15.420 -12.063 -15.046 1.00 44.55 O ATOM 624 OE2 GLU A 41 -14.035 -13.705 -14.619 1.00 62.31 O ATOM 0 H GLU A 41 -15.563 -13.943 -19.975 1.00 41.51 H new ATOM 0 HA GLU A 41 -13.337 -12.196 -19.477 1.00 50.23 H new ATOM 0 HB2 GLU A 41 -15.423 -12.434 -18.069 1.00 54.23 H new ATOM 0 HB3 GLU A 41 -14.936 -14.068 -17.661 1.00 54.23 H new ATOM 0 HG2 GLU A 41 -12.767 -13.005 -16.686 1.00 31.33 H new ATOM 0 HG3 GLU A 41 -13.589 -11.463 -16.829 1.00 31.33 H new ATOM 631 N ARG A 42 -11.684 -14.124 -20.097 1.00 74.14 N ATOM 632 CA ARG A 42 -10.463 -14.931 -20.124 1.00 34.34 C ATOM 633 C ARG A 42 -9.262 -13.988 -19.936 1.00 43.34 C ATOM 634 O ARG A 42 -9.114 -13.036 -20.707 1.00 23.12 O ATOM 635 CB ARG A 42 -10.352 -15.711 -21.467 1.00 23.14 C ATOM 636 CG ARG A 42 -11.468 -16.756 -21.752 1.00 21.24 C ATOM 637 CD ARG A 42 -11.512 -17.934 -20.751 1.00 43.55 C ATOM 638 NE ARG A 42 -12.074 -17.547 -19.449 1.00 20.15 N ATOM 639 CZ ARG A 42 -12.011 -18.269 -18.312 1.00 33.11 C ATOM 640 NH1 ARG A 42 -11.411 -19.448 -18.264 1.00 72.21 N ATOM 641 NH2 ARG A 42 -12.506 -17.767 -17.199 1.00 62.24 N ATOM 0 H ARG A 42 -11.775 -13.506 -20.903 1.00 74.14 H new ATOM 0 HA ARG A 42 -10.483 -15.668 -19.321 1.00 34.34 H new ATOM 0 HB2 ARG A 42 -10.344 -14.988 -22.283 1.00 23.14 H new ATOM 0 HB3 ARG A 42 -9.390 -16.224 -21.486 1.00 23.14 H new ATOM 0 HG2 ARG A 42 -12.433 -16.250 -21.742 1.00 21.24 H new ATOM 0 HG3 ARG A 42 -11.328 -17.154 -22.757 1.00 21.24 H new ATOM 0 HD2 ARG A 42 -12.107 -18.743 -21.174 1.00 43.55 H new ATOM 0 HD3 ARG A 42 -10.504 -18.322 -20.607 1.00 43.55 H new ATOM 0 HE ARG A 42 -12.556 -16.649 -19.401 1.00 20.15 H new ATOM 0 HH11 ARG A 42 -10.979 -19.835 -19.103 1.00 72.21 H new ATOM 0 HH12 ARG A 42 -11.381 -19.969 -17.388 1.00 72.21 H new ATOM 0 HH21 ARG A 42 -12.932 -16.840 -17.203 1.00 62.24 H new ATOM 0 HH22 ARG A 42 -12.463 -18.305 -16.334 1.00 62.24 H new ATOM 655 N PRO A 43 -8.419 -14.188 -18.875 1.00 24.51 N ATOM 656 CA PRO A 43 -7.170 -13.418 -18.715 1.00 3.22 C ATOM 657 C PRO A 43 -6.169 -13.799 -19.813 1.00 40.32 C ATOM 658 O PRO A 43 -5.517 -14.852 -19.744 1.00 11.22 O ATOM 659 CB PRO A 43 -6.692 -13.788 -17.285 1.00 5.14 C ATOM 660 CG PRO A 43 -7.310 -15.129 -17.006 1.00 21.01 C ATOM 661 CD PRO A 43 -8.631 -15.142 -17.754 1.00 61.51 C ATOM 0 HA PRO A 43 -7.292 -12.340 -18.819 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -5.604 -13.835 -17.232 1.00 5.14 H new ATOM 0 HB3 PRO A 43 -7.015 -13.045 -16.556 1.00 5.14 H new ATOM 0 HG2 PRO A 43 -6.661 -15.936 -17.345 1.00 21.01 H new ATOM 0 HG3 PRO A 43 -7.465 -15.273 -15.937 1.00 21.01 H new ATOM 0 HD2 PRO A 43 -8.873 -16.140 -18.120 1.00 61.51 H new ATOM 0 HD3 PRO A 43 -9.455 -14.829 -17.114 1.00 61.51 H new ATOM 669 N PHE A 44 -6.130 -12.961 -20.867 1.00 52.11 N ATOM 670 CA PHE A 44 -5.292 -13.180 -22.058 1.00 50.13 C ATOM 671 C PHE A 44 -3.795 -13.077 -21.723 1.00 73.23 C ATOM 672 O PHE A 44 -3.140 -12.061 -21.972 1.00 52.53 O ATOM 673 CB PHE A 44 -5.695 -12.205 -23.198 1.00 13.43 C ATOM 674 CG PHE A 44 -7.116 -12.406 -23.714 1.00 63.31 C ATOM 675 CD1 PHE A 44 -7.434 -13.483 -24.545 1.00 74.04 C ATOM 676 CD2 PHE A 44 -8.130 -11.523 -23.372 1.00 30.42 C ATOM 677 CE1 PHE A 44 -8.722 -13.661 -25.010 1.00 60.40 C ATOM 678 CE2 PHE A 44 -9.419 -11.699 -23.838 1.00 42.34 C ATOM 679 CZ PHE A 44 -9.714 -12.769 -24.654 1.00 35.53 C ATOM 0 H PHE A 44 -6.685 -12.106 -20.914 1.00 52.11 H new ATOM 0 HA PHE A 44 -5.467 -14.196 -22.411 1.00 50.13 H new ATOM 0 HB2 PHE A 44 -5.591 -11.181 -22.840 1.00 13.43 H new ATOM 0 HB3 PHE A 44 -4.998 -12.325 -24.028 1.00 13.43 H new ATOM 0 HD1 PHE A 44 -6.663 -14.185 -24.827 1.00 74.04 H new ATOM 0 HD2 PHE A 44 -7.908 -10.683 -22.730 1.00 30.42 H new ATOM 0 HE1 PHE A 44 -8.953 -14.498 -25.652 1.00 60.40 H new ATOM 0 HE2 PHE A 44 -10.194 -10.999 -23.563 1.00 42.34 H new ATOM 0 HZ PHE A 44 -10.722 -12.910 -25.015 1.00 35.53 H new ATOM 689 N HIS A 45 -3.275 -14.166 -21.154 1.00 65.42 N ATOM 690 CA HIS A 45 -1.885 -14.264 -20.728 1.00 2.22 C ATOM 691 C HIS A 45 -1.075 -14.741 -21.931 1.00 73.25 C ATOM 692 O HIS A 45 -1.362 -15.801 -22.486 1.00 35.23 O ATOM 693 CB HIS A 45 -1.772 -15.247 -19.520 1.00 52.53 C ATOM 694 CG HIS A 45 -0.394 -15.327 -18.901 1.00 21.32 C ATOM 695 ND1 HIS A 45 -0.002 -14.542 -17.840 1.00 1.23 N ATOM 696 CD2 HIS A 45 0.684 -16.096 -19.205 1.00 73.23 C ATOM 697 CE1 HIS A 45 1.244 -14.824 -17.523 1.00 74.33 C ATOM 698 NE2 HIS A 45 1.684 -15.762 -18.333 1.00 42.23 N ATOM 0 H HIS A 45 -3.816 -15.012 -20.976 1.00 65.42 H new ATOM 0 HA HIS A 45 -1.499 -13.302 -20.391 1.00 2.22 H new ATOM 0 HB2 HIS A 45 -2.484 -14.942 -18.753 1.00 52.53 H new ATOM 0 HB3 HIS A 45 -2.066 -16.243 -19.850 1.00 52.53 H new ATOM 0 HD2 HIS A 45 0.741 -16.835 -19.990 1.00 73.23 H new ATOM 0 HE1 HIS A 45 1.811 -14.361 -16.729 1.00 74.33 H new ATOM 0 HE2 HIS A 45 2.617 -16.173 -18.314 1.00 42.23 H new ATOM 707 N CYS A 46 -0.110 -13.914 -22.346 1.00 71.44 N ATOM 708 CA CYS A 46 0.714 -14.151 -23.535 1.00 2.42 C ATOM 709 C CYS A 46 1.346 -15.566 -23.542 1.00 73.35 C ATOM 710 O CYS A 46 0.969 -16.408 -24.366 1.00 25.21 O ATOM 711 CB CYS A 46 1.785 -13.067 -23.576 1.00 24.05 C ATOM 712 SG CYS A 46 3.057 -13.285 -24.839 1.00 3.32 S ATOM 0 H CYS A 46 0.124 -13.049 -21.858 1.00 71.44 H new ATOM 0 HA CYS A 46 0.088 -14.105 -24.426 1.00 2.42 H new ATOM 0 HB2 CYS A 46 1.299 -12.105 -23.736 1.00 24.05 H new ATOM 0 HB3 CYS A 46 2.269 -13.021 -22.601 1.00 24.05 H new ATOM 0 HG CYS A 46 3.933 -12.329 -24.742 1.00 3.32 H new ATOM 717 N ASN A 47 2.266 -15.812 -22.582 1.00 43.24 N ATOM 718 CA ASN A 47 2.950 -17.123 -22.401 1.00 2.14 C ATOM 719 C ASN A 47 3.848 -17.046 -21.148 1.00 71.21 C ATOM 720 O ASN A 47 3.483 -17.546 -20.076 1.00 33.20 O ATOM 721 CB ASN A 47 3.778 -17.539 -23.666 1.00 52.42 C ATOM 722 CG ASN A 47 4.609 -18.816 -23.492 1.00 72.13 C ATOM 723 OD1 ASN A 47 4.226 -19.748 -22.785 1.00 53.23 O ATOM 724 ND2 ASN A 47 5.752 -18.869 -24.147 1.00 64.23 N ATOM 0 H ASN A 47 2.560 -15.107 -21.906 1.00 43.24 H new ATOM 0 HA ASN A 47 2.193 -17.896 -22.266 1.00 2.14 H new ATOM 0 HB2 ASN A 47 3.094 -17.678 -24.503 1.00 52.42 H new ATOM 0 HB3 ASN A 47 4.446 -16.720 -23.933 1.00 52.42 H new ATOM 0 HD21 ASN A 47 6.343 -19.697 -24.075 1.00 64.23 H new ATOM 0 HD22 ASN A 47 6.045 -18.082 -24.726 1.00 64.23 H new ATOM 731 N GLN A 48 4.996 -16.359 -21.285 1.00 4.41 N ATOM 732 CA GLN A 48 6.011 -16.272 -20.218 1.00 74.12 C ATOM 733 C GLN A 48 6.753 -14.913 -20.267 1.00 4.02 C ATOM 734 O GLN A 48 7.745 -14.700 -19.566 1.00 12.35 O ATOM 735 CB GLN A 48 6.976 -17.486 -20.379 1.00 61.22 C ATOM 736 CG GLN A 48 7.875 -17.785 -19.165 1.00 33.32 C ATOM 737 CD GLN A 48 8.787 -18.991 -19.388 1.00 41.44 C ATOM 738 OE1 GLN A 48 9.919 -18.853 -19.851 1.00 74.12 O ATOM 739 NE2 GLN A 48 8.275 -20.179 -19.100 1.00 31.11 N ATOM 0 H GLN A 48 5.246 -15.851 -22.133 1.00 4.41 H new ATOM 0 HA GLN A 48 5.542 -16.317 -19.235 1.00 74.12 H new ATOM 0 HB2 GLN A 48 6.382 -18.374 -20.596 1.00 61.22 H new ATOM 0 HB3 GLN A 48 7.613 -17.309 -21.246 1.00 61.22 H new ATOM 0 HG2 GLN A 48 8.485 -16.909 -18.946 1.00 33.32 H new ATOM 0 HG3 GLN A 48 7.250 -17.965 -18.291 1.00 33.32 H new ATOM 0 HE21 GLN A 48 7.332 -20.249 -18.717 1.00 31.11 H new ATOM 0 HE22 GLN A 48 8.824 -21.024 -19.261 1.00 31.11 H new ATOM 748 N CYS A 49 6.238 -13.971 -21.077 1.00 15.11 N ATOM 749 CA CYS A 49 6.875 -12.639 -21.263 1.00 62.22 C ATOM 750 C CYS A 49 6.458 -11.633 -20.166 1.00 54.32 C ATOM 751 O CYS A 49 7.048 -10.549 -20.059 1.00 30.03 O ATOM 752 CB CYS A 49 6.505 -12.086 -22.650 1.00 14.10 C ATOM 753 SG CYS A 49 4.728 -11.760 -22.852 1.00 41.54 S ATOM 0 H CYS A 49 5.382 -14.100 -21.617 1.00 15.11 H new ATOM 0 HA CYS A 49 7.954 -12.772 -21.186 1.00 62.22 H new ATOM 0 HB2 CYS A 49 7.057 -11.162 -22.823 1.00 14.10 H new ATOM 0 HB3 CYS A 49 6.825 -12.796 -23.412 1.00 14.10 H new ATOM 758 N GLY A 50 5.431 -11.988 -19.364 1.00 22.21 N ATOM 759 CA GLY A 50 4.918 -11.116 -18.298 1.00 35.21 C ATOM 760 C GLY A 50 3.687 -10.333 -18.707 1.00 72.44 C ATOM 761 O GLY A 50 2.733 -10.211 -17.922 1.00 43.22 O ATOM 0 H GLY A 50 4.942 -12.880 -19.440 1.00 22.21 H new ATOM 0 HA2 GLY A 50 4.681 -11.723 -17.424 1.00 35.21 H new ATOM 0 HA3 GLY A 50 5.701 -10.419 -17.999 1.00 35.21 H new ATOM 765 N ALA A 51 3.713 -9.794 -19.932 1.00 65.23 N ATOM 766 CA ALA A 51 2.622 -8.991 -20.478 1.00 75.43 C ATOM 767 C ALA A 51 1.336 -9.826 -20.625 1.00 34.31 C ATOM 768 O ALA A 51 1.306 -10.829 -21.351 1.00 50.54 O ATOM 769 CB ALA A 51 3.026 -8.364 -21.814 1.00 1.14 C ATOM 0 H ALA A 51 4.498 -9.906 -20.573 1.00 65.23 H new ATOM 0 HA ALA A 51 2.414 -8.185 -19.775 1.00 75.43 H new ATOM 0 HB1 ALA A 51 2.198 -7.770 -22.202 1.00 1.14 H new ATOM 0 HB2 ALA A 51 3.895 -7.723 -21.667 1.00 1.14 H new ATOM 0 HB3 ALA A 51 3.273 -9.152 -22.526 1.00 1.14 H new ATOM 775 N SER A 52 0.284 -9.403 -19.914 1.00 14.32 N ATOM 776 CA SER A 52 -0.987 -10.144 -19.829 1.00 62.23 C ATOM 777 C SER A 52 -2.169 -9.166 -19.863 1.00 31.23 C ATOM 778 O SER A 52 -2.214 -8.188 -19.104 1.00 34.42 O ATOM 779 CB SER A 52 -1.016 -10.992 -18.549 1.00 73.01 C ATOM 780 OG SER A 52 0.117 -11.849 -18.472 1.00 31.04 O ATOM 0 H SER A 52 0.287 -8.535 -19.379 1.00 14.32 H new ATOM 0 HA SER A 52 -1.070 -10.812 -20.686 1.00 62.23 H new ATOM 0 HB2 SER A 52 -1.040 -10.338 -17.677 1.00 73.01 H new ATOM 0 HB3 SER A 52 -1.928 -11.588 -18.526 1.00 73.01 H new ATOM 0 HG SER A 52 -0.180 -12.783 -18.455 1.00 31.04 H new ATOM 786 N PHE A 53 -3.125 -9.441 -20.751 1.00 73.21 N ATOM 787 CA PHE A 53 -4.203 -8.509 -21.105 1.00 35.12 C ATOM 788 C PHE A 53 -5.575 -9.066 -20.703 1.00 62.01 C ATOM 789 O PHE A 53 -5.717 -10.246 -20.382 1.00 32.54 O ATOM 790 CB PHE A 53 -4.125 -8.228 -22.630 1.00 45.54 C ATOM 791 CG PHE A 53 -2.751 -7.696 -23.060 1.00 52.10 C ATOM 792 CD1 PHE A 53 -2.405 -6.352 -22.867 1.00 61.13 C ATOM 793 CD2 PHE A 53 -1.789 -8.545 -23.611 1.00 73.14 C ATOM 794 CE1 PHE A 53 -1.149 -5.883 -23.228 1.00 24.32 C ATOM 795 CE2 PHE A 53 -0.539 -8.072 -23.960 1.00 33.32 C ATOM 796 CZ PHE A 53 -0.220 -6.742 -23.772 1.00 34.11 C ATOM 0 H PHE A 53 -3.176 -10.328 -21.253 1.00 73.21 H new ATOM 0 HA PHE A 53 -4.077 -7.575 -20.557 1.00 35.12 H new ATOM 0 HB2 PHE A 53 -4.343 -9.145 -23.177 1.00 45.54 H new ATOM 0 HB3 PHE A 53 -4.893 -7.504 -22.903 1.00 45.54 H new ATOM 0 HD1 PHE A 53 -3.124 -5.673 -22.432 1.00 61.13 H new ATOM 0 HD2 PHE A 53 -2.026 -9.587 -23.767 1.00 73.14 H new ATOM 0 HE1 PHE A 53 -0.900 -4.842 -23.082 1.00 24.32 H new ATOM 0 HE2 PHE A 53 0.192 -8.746 -24.382 1.00 33.32 H new ATOM 0 HZ PHE A 53 0.757 -6.376 -24.051 1.00 34.11 H new ATOM 806 N THR A 54 -6.581 -8.193 -20.693 1.00 51.23 N ATOM 807 CA THR A 54 -7.983 -8.579 -20.439 1.00 31.21 C ATOM 808 C THR A 54 -8.801 -8.481 -21.743 1.00 21.41 C ATOM 809 O THR A 54 -9.962 -8.893 -21.790 1.00 43.33 O ATOM 810 CB THR A 54 -8.608 -7.687 -19.304 1.00 2.23 C ATOM 811 OG1 THR A 54 -9.973 -8.057 -19.031 1.00 35.12 O ATOM 812 CG2 THR A 54 -8.539 -6.196 -19.643 1.00 42.01 C ATOM 0 H THR A 54 -6.455 -7.195 -20.860 1.00 51.23 H new ATOM 0 HA THR A 54 -8.009 -9.613 -20.096 1.00 31.21 H new ATOM 0 HB THR A 54 -8.009 -7.865 -18.411 1.00 2.23 H new ATOM 0 HG1 THR A 54 -10.337 -8.550 -19.796 1.00 35.12 H new ATOM 0 HG21 THR A 54 -8.982 -5.618 -18.832 1.00 42.01 H new ATOM 0 HG22 THR A 54 -7.498 -5.900 -19.773 1.00 42.01 H new ATOM 0 HG23 THR A 54 -9.088 -6.007 -20.565 1.00 42.01 H new ATOM 820 N GLN A 55 -8.165 -7.953 -22.810 1.00 75.53 N ATOM 821 CA GLN A 55 -8.796 -7.755 -24.126 1.00 74.53 C ATOM 822 C GLN A 55 -7.907 -8.351 -25.230 1.00 4.33 C ATOM 823 O GLN A 55 -6.675 -8.151 -25.223 1.00 22.55 O ATOM 824 CB GLN A 55 -9.034 -6.243 -24.393 1.00 3.04 C ATOM 825 CG GLN A 55 -9.938 -5.545 -23.357 1.00 63.11 C ATOM 826 CD GLN A 55 -11.350 -6.122 -23.307 1.00 31.21 C ATOM 827 OE1 GLN A 55 -11.912 -6.549 -24.315 1.00 62.40 O ATOM 828 NE2 GLN A 55 -11.924 -6.175 -22.128 1.00 30.42 N ATOM 0 H GLN A 55 -7.191 -7.651 -22.779 1.00 75.53 H new ATOM 0 HA GLN A 55 -9.760 -8.264 -24.130 1.00 74.53 H new ATOM 0 HB2 GLN A 55 -8.070 -5.735 -24.416 1.00 3.04 H new ATOM 0 HB3 GLN A 55 -9.479 -6.127 -25.381 1.00 3.04 H new ATOM 0 HG2 GLN A 55 -9.482 -5.630 -22.370 1.00 63.11 H new ATOM 0 HG3 GLN A 55 -9.995 -4.482 -23.591 1.00 63.11 H new ATOM 0 HE21 GLN A 55 -11.437 -5.814 -21.307 1.00 30.42 H new ATOM 0 HE22 GLN A 55 -12.857 -6.577 -22.032 1.00 30.42 H new ATOM 837 N LYS A 56 -8.545 -9.084 -26.168 1.00 23.22 N ATOM 838 CA LYS A 56 -7.882 -9.657 -27.355 1.00 35.24 C ATOM 839 C LYS A 56 -7.347 -8.561 -28.282 1.00 11.01 C ATOM 840 O LYS A 56 -6.356 -8.775 -28.957 1.00 14.44 O ATOM 841 CB LYS A 56 -8.857 -10.585 -28.123 1.00 70.13 C ATOM 842 CG LYS A 56 -10.141 -9.893 -28.623 1.00 2.34 C ATOM 843 CD LYS A 56 -11.104 -10.847 -29.357 1.00 13.53 C ATOM 844 CE LYS A 56 -12.480 -10.204 -29.587 1.00 5.32 C ATOM 845 NZ LYS A 56 -13.134 -9.819 -28.301 1.00 62.40 N ATOM 0 H LYS A 56 -9.542 -9.295 -26.121 1.00 23.22 H new ATOM 0 HA LYS A 56 -7.032 -10.246 -27.010 1.00 35.24 H new ATOM 0 HB2 LYS A 56 -8.334 -11.012 -28.978 1.00 70.13 H new ATOM 0 HB3 LYS A 56 -9.136 -11.414 -27.473 1.00 70.13 H new ATOM 0 HG2 LYS A 56 -10.659 -9.448 -27.774 1.00 2.34 H new ATOM 0 HG3 LYS A 56 -9.868 -9.078 -29.293 1.00 2.34 H new ATOM 0 HD2 LYS A 56 -10.672 -11.133 -30.316 1.00 13.53 H new ATOM 0 HD3 LYS A 56 -11.223 -11.761 -28.776 1.00 13.53 H new ATOM 0 HE2 LYS A 56 -12.368 -9.321 -30.216 1.00 5.32 H new ATOM 0 HE3 LYS A 56 -13.121 -10.901 -30.127 1.00 5.32 H new ATOM 0 HZ1 LYS A 56 -14.160 -9.728 -28.447 1.00 62.40 H new ATOM 0 HZ2 LYS A 56 -12.950 -10.550 -27.585 1.00 62.40 H new ATOM 0 HZ3 LYS A 56 -12.749 -8.910 -27.974 1.00 62.40 H new ATOM 859 N GLY A 57 -7.986 -7.378 -28.267 1.00 14.12 N ATOM 860 CA GLY A 57 -7.520 -6.230 -29.059 1.00 53.52 C ATOM 861 C GLY A 57 -6.067 -5.861 -28.781 1.00 35.14 C ATOM 862 O GLY A 57 -5.287 -5.583 -29.702 1.00 42.14 O ATOM 0 H GLY A 57 -8.824 -7.194 -27.716 1.00 14.12 H new ATOM 0 HA2 GLY A 57 -7.634 -6.457 -30.119 1.00 53.52 H new ATOM 0 HA3 GLY A 57 -8.154 -5.369 -28.847 1.00 53.52 H new ATOM 866 N ASN A 58 -5.710 -5.899 -27.490 1.00 34.10 N ATOM 867 CA ASN A 58 -4.342 -5.620 -27.020 1.00 34.02 C ATOM 868 C ASN A 58 -3.421 -6.851 -27.205 1.00 62.02 C ATOM 869 O ASN A 58 -2.231 -6.702 -27.547 1.00 24.12 O ATOM 870 CB ASN A 58 -4.385 -5.203 -25.536 1.00 71.34 C ATOM 871 CG ASN A 58 -5.286 -3.985 -25.285 1.00 62.45 C ATOM 872 OD1 ASN A 58 -6.483 -4.128 -25.028 1.00 13.23 O ATOM 873 ND2 ASN A 58 -4.722 -2.792 -25.332 1.00 43.53 N ATOM 0 H ASN A 58 -6.362 -6.124 -26.739 1.00 34.10 H new ATOM 0 HA ASN A 58 -3.930 -4.806 -27.617 1.00 34.02 H new ATOM 0 HB2 ASN A 58 -4.741 -6.042 -24.938 1.00 71.34 H new ATOM 0 HB3 ASN A 58 -3.374 -4.977 -25.198 1.00 71.34 H new ATOM 0 HD21 ASN A 58 -5.280 -1.957 -25.153 1.00 43.53 H new ATOM 0 HD22 ASN A 58 -3.729 -2.706 -25.547 1.00 43.53 H new ATOM 880 N LEU A 59 -3.984 -8.064 -26.981 1.00 1.24 N ATOM 881 CA LEU A 59 -3.227 -9.331 -27.076 1.00 51.02 C ATOM 882 C LEU A 59 -2.740 -9.595 -28.516 1.00 42.23 C ATOM 883 O LEU A 59 -1.591 -9.986 -28.725 1.00 74.14 O ATOM 884 CB LEU A 59 -4.077 -10.540 -26.591 1.00 72.20 C ATOM 885 CG LEU A 59 -3.324 -11.920 -26.591 1.00 75.22 C ATOM 886 CD1 LEU A 59 -2.253 -11.997 -25.482 1.00 21.21 C ATOM 887 CD2 LEU A 59 -4.293 -13.118 -26.532 1.00 44.33 C ATOM 0 H LEU A 59 -4.965 -8.188 -26.732 1.00 1.24 H new ATOM 0 HA LEU A 59 -2.359 -9.224 -26.425 1.00 51.02 H new ATOM 0 HB2 LEU A 59 -4.430 -10.335 -25.580 1.00 72.20 H new ATOM 0 HB3 LEU A 59 -4.959 -10.624 -27.226 1.00 72.20 H new ATOM 0 HG LEU A 59 -2.802 -11.984 -27.546 1.00 75.22 H new ATOM 0 HD11 LEU A 59 -1.759 -12.968 -25.520 1.00 21.21 H new ATOM 0 HD12 LEU A 59 -1.516 -11.208 -25.633 1.00 21.21 H new ATOM 0 HD13 LEU A 59 -2.727 -11.869 -24.509 1.00 21.21 H new ATOM 0 HD21 LEU A 59 -3.723 -14.047 -26.534 1.00 44.33 H new ATOM 0 HD22 LEU A 59 -4.889 -13.060 -25.621 1.00 44.33 H new ATOM 0 HD23 LEU A 59 -4.953 -13.095 -27.399 1.00 44.33 H new ATOM 899 N LEU A 60 -3.634 -9.363 -29.500 1.00 31.02 N ATOM 900 CA LEU A 60 -3.371 -9.634 -30.928 1.00 25.25 C ATOM 901 C LEU A 60 -2.210 -8.765 -31.455 1.00 51.20 C ATOM 902 O LEU A 60 -1.424 -9.201 -32.310 1.00 50.12 O ATOM 903 CB LEU A 60 -4.659 -9.399 -31.772 1.00 2.51 C ATOM 904 CG LEU A 60 -5.861 -10.372 -31.517 1.00 64.21 C ATOM 905 CD1 LEU A 60 -7.102 -9.970 -32.354 1.00 32.15 C ATOM 906 CD2 LEU A 60 -5.463 -11.835 -31.775 1.00 75.43 C ATOM 0 H LEU A 60 -4.563 -8.980 -29.325 1.00 31.02 H new ATOM 0 HA LEU A 60 -3.077 -10.679 -31.025 1.00 25.25 H new ATOM 0 HB2 LEU A 60 -5.002 -8.381 -31.590 1.00 2.51 H new ATOM 0 HB3 LEU A 60 -4.390 -9.461 -32.826 1.00 2.51 H new ATOM 0 HG LEU A 60 -6.133 -10.286 -30.465 1.00 64.21 H new ATOM 0 HD11 LEU A 60 -7.917 -10.665 -32.153 1.00 32.15 H new ATOM 0 HD12 LEU A 60 -7.412 -8.960 -32.084 1.00 32.15 H new ATOM 0 HD13 LEU A 60 -6.851 -10.001 -33.414 1.00 32.15 H new ATOM 0 HD21 LEU A 60 -6.319 -12.483 -31.589 1.00 75.43 H new ATOM 0 HD22 LEU A 60 -5.141 -11.947 -32.810 1.00 75.43 H new ATOM 0 HD23 LEU A 60 -4.646 -12.113 -31.109 1.00 75.43 H new ATOM 918 N ARG A 61 -2.128 -7.537 -30.926 1.00 15.42 N ATOM 919 CA ARG A 61 -1.023 -6.601 -31.199 1.00 20.54 C ATOM 920 C ARG A 61 0.302 -7.166 -30.641 1.00 12.02 C ATOM 921 O ARG A 61 1.330 -7.176 -31.329 1.00 43.41 O ATOM 922 CB ARG A 61 -1.396 -5.211 -30.574 1.00 45.41 C ATOM 923 CG ARG A 61 -0.344 -4.067 -30.725 1.00 24.22 C ATOM 924 CD ARG A 61 0.664 -3.986 -29.555 1.00 5.33 C ATOM 925 NE ARG A 61 1.752 -3.012 -29.806 1.00 21.41 N ATOM 926 CZ ARG A 61 2.431 -2.343 -28.851 1.00 72.02 C ATOM 927 NH1 ARG A 61 2.128 -2.503 -27.564 1.00 22.14 N ATOM 928 NH2 ARG A 61 3.434 -1.541 -29.186 1.00 52.04 N ATOM 0 H ARG A 61 -2.831 -7.160 -30.291 1.00 15.42 H new ATOM 0 HA ARG A 61 -0.876 -6.470 -32.271 1.00 20.54 H new ATOM 0 HB2 ARG A 61 -2.330 -4.875 -31.025 1.00 45.41 H new ATOM 0 HB3 ARG A 61 -1.589 -5.357 -29.511 1.00 45.41 H new ATOM 0 HG2 ARG A 61 0.205 -4.212 -31.656 1.00 24.22 H new ATOM 0 HG3 ARG A 61 -0.867 -3.114 -30.808 1.00 24.22 H new ATOM 0 HD2 ARG A 61 0.135 -3.707 -28.643 1.00 5.33 H new ATOM 0 HD3 ARG A 61 1.096 -4.972 -29.384 1.00 5.33 H new ATOM 0 HE ARG A 61 2.008 -2.833 -30.777 1.00 21.41 H new ATOM 0 HH11 ARG A 61 1.376 -3.136 -27.292 1.00 22.14 H new ATOM 0 HH12 ARG A 61 2.648 -1.992 -26.850 1.00 22.14 H new ATOM 0 HH21 ARG A 61 3.692 -1.430 -30.166 1.00 52.04 H new ATOM 0 HH22 ARG A 61 3.946 -1.036 -28.463 1.00 52.04 H new ATOM 942 N HIS A 62 0.233 -7.676 -29.398 1.00 13.52 N ATOM 943 CA HIS A 62 1.403 -8.151 -28.638 1.00 11.32 C ATOM 944 C HIS A 62 1.998 -9.457 -29.205 1.00 15.24 C ATOM 945 O HIS A 62 3.229 -9.595 -29.275 1.00 72.21 O ATOM 946 CB HIS A 62 1.002 -8.363 -27.160 1.00 32.25 C ATOM 947 CG HIS A 62 2.084 -8.948 -26.296 1.00 42.42 C ATOM 948 ND1 HIS A 62 3.136 -8.222 -25.799 1.00 12.23 N ATOM 949 CD2 HIS A 62 2.275 -10.232 -25.864 1.00 13.12 C ATOM 950 CE1 HIS A 62 3.924 -9.054 -25.110 1.00 4.44 C ATOM 951 NE2 HIS A 62 3.455 -10.286 -25.112 1.00 1.22 N ATOM 0 H HIS A 62 -0.645 -7.771 -28.888 1.00 13.52 H new ATOM 0 HA HIS A 62 2.175 -7.386 -28.722 1.00 11.32 H new ATOM 0 HB2 HIS A 62 0.697 -7.405 -26.739 1.00 32.25 H new ATOM 0 HB3 HIS A 62 0.132 -9.019 -27.124 1.00 32.25 H new ATOM 0 HD1 HIS A 62 3.290 -7.223 -25.932 1.00 12.23 H new ATOM 0 HD2 HIS A 62 1.622 -11.068 -26.069 1.00 13.12 H new ATOM 0 HE1 HIS A 62 4.834 -8.753 -24.612 1.00 4.44 H new ATOM 959 N ILE A 63 1.126 -10.416 -29.578 1.00 25.02 N ATOM 960 CA ILE A 63 1.546 -11.764 -30.018 1.00 45.54 C ATOM 961 C ILE A 63 2.322 -11.705 -31.345 1.00 22.54 C ATOM 962 O ILE A 63 3.124 -12.600 -31.636 1.00 21.53 O ATOM 963 CB ILE A 63 0.348 -12.788 -30.113 1.00 61.24 C ATOM 964 CG1 ILE A 63 -0.739 -12.301 -31.112 1.00 20.54 C ATOM 965 CG2 ILE A 63 -0.259 -13.051 -28.718 1.00 73.54 C ATOM 966 CD1 ILE A 63 -1.965 -13.203 -31.254 1.00 10.35 C ATOM 0 H ILE A 63 0.115 -10.280 -29.583 1.00 25.02 H new ATOM 0 HA ILE A 63 2.214 -12.138 -29.242 1.00 45.54 H new ATOM 0 HB ILE A 63 0.745 -13.729 -30.495 1.00 61.24 H new ATOM 0 HG12 ILE A 63 -1.074 -11.311 -30.801 1.00 20.54 H new ATOM 0 HG13 ILE A 63 -0.279 -12.188 -32.094 1.00 20.54 H new ATOM 0 HG21 ILE A 63 -1.083 -13.759 -28.807 1.00 73.54 H new ATOM 0 HG22 ILE A 63 0.506 -13.465 -28.061 1.00 73.54 H new ATOM 0 HG23 ILE A 63 -0.629 -12.115 -28.300 1.00 73.54 H new ATOM 0 HD11 ILE A 63 -2.656 -12.767 -31.975 1.00 10.35 H new ATOM 0 HD12 ILE A 63 -1.654 -14.188 -31.600 1.00 10.35 H new ATOM 0 HD13 ILE A 63 -2.461 -13.298 -30.288 1.00 10.35 H new ATOM 978 N LYS A 64 2.064 -10.653 -32.155 1.00 20.23 N ATOM 979 CA LYS A 64 2.813 -10.407 -33.392 1.00 15.20 C ATOM 980 C LYS A 64 4.250 -9.951 -33.078 1.00 11.22 C ATOM 981 O LYS A 64 5.190 -10.327 -33.783 1.00 4.20 O ATOM 982 CB LYS A 64 2.100 -9.364 -34.286 1.00 44.11 C ATOM 983 CG LYS A 64 2.671 -9.299 -35.746 1.00 20.04 C ATOM 984 CD LYS A 64 2.706 -7.873 -36.346 1.00 62.41 C ATOM 985 CE LYS A 64 3.637 -6.928 -35.559 1.00 72.23 C ATOM 986 NZ LYS A 64 3.760 -5.599 -36.218 1.00 40.11 N ATOM 0 H LYS A 64 1.338 -9.962 -31.966 1.00 20.23 H new ATOM 0 HA LYS A 64 2.858 -11.347 -33.942 1.00 15.20 H new ATOM 0 HB2 LYS A 64 1.037 -9.601 -34.330 1.00 44.11 H new ATOM 0 HB3 LYS A 64 2.189 -8.380 -33.825 1.00 44.11 H new ATOM 0 HG2 LYS A 64 3.681 -9.708 -35.748 1.00 20.04 H new ATOM 0 HG3 LYS A 64 2.067 -9.938 -36.390 1.00 20.04 H new ATOM 0 HD2 LYS A 64 3.038 -7.926 -37.383 1.00 62.41 H new ATOM 0 HD3 LYS A 64 1.697 -7.460 -36.355 1.00 62.41 H new ATOM 0 HE2 LYS A 64 3.252 -6.798 -34.547 1.00 72.23 H new ATOM 0 HE3 LYS A 64 4.624 -7.382 -35.469 1.00 72.23 H new ATOM 0 HZ1 LYS A 64 4.394 -4.992 -35.660 1.00 40.11 H new ATOM 0 HZ2 LYS A 64 4.151 -5.720 -37.174 1.00 40.11 H new ATOM 0 HZ3 LYS A 64 2.822 -5.155 -36.281 1.00 40.11 H new ATOM 1000 N LEU A 65 4.399 -9.171 -31.988 1.00 15.22 N ATOM 1001 CA LEU A 65 5.693 -8.599 -31.547 1.00 23.31 C ATOM 1002 C LEU A 65 6.697 -9.668 -31.051 1.00 43.51 C ATOM 1003 O LEU A 65 7.853 -9.340 -30.772 1.00 42.13 O ATOM 1004 CB LEU A 65 5.467 -7.530 -30.445 1.00 54.01 C ATOM 1005 CG LEU A 65 4.602 -6.289 -30.833 1.00 51.03 C ATOM 1006 CD1 LEU A 65 4.461 -5.311 -29.642 1.00 33.15 C ATOM 1007 CD2 LEU A 65 5.180 -5.577 -32.075 1.00 35.40 C ATOM 0 H LEU A 65 3.619 -8.917 -31.382 1.00 15.22 H new ATOM 0 HA LEU A 65 6.138 -8.134 -32.427 1.00 23.31 H new ATOM 0 HB2 LEU A 65 4.997 -8.017 -29.591 1.00 54.01 H new ATOM 0 HB3 LEU A 65 6.442 -7.174 -30.113 1.00 54.01 H new ATOM 0 HG LEU A 65 3.604 -6.645 -31.088 1.00 51.03 H new ATOM 0 HD11 LEU A 65 3.854 -4.457 -29.942 1.00 33.15 H new ATOM 0 HD12 LEU A 65 3.981 -5.821 -28.807 1.00 33.15 H new ATOM 0 HD13 LEU A 65 5.448 -4.965 -29.337 1.00 33.15 H new ATOM 0 HD21 LEU A 65 4.558 -4.717 -32.323 1.00 35.40 H new ATOM 0 HD22 LEU A 65 6.195 -5.242 -31.863 1.00 35.40 H new ATOM 0 HD23 LEU A 65 5.195 -6.269 -32.917 1.00 35.40 H new ATOM 1019 N HIS A 66 6.243 -10.926 -30.898 1.00 40.13 N ATOM 1020 CA HIS A 66 7.132 -12.081 -30.600 1.00 72.13 C ATOM 1021 C HIS A 66 8.179 -12.285 -31.712 1.00 12.31 C ATOM 1022 O HIS A 66 9.284 -12.775 -31.458 1.00 11.11 O ATOM 1023 CB HIS A 66 6.295 -13.371 -30.427 1.00 5.25 C ATOM 1024 CG HIS A 66 5.493 -13.412 -29.159 1.00 22.14 C ATOM 1025 ND1 HIS A 66 5.475 -14.484 -28.304 1.00 70.33 N ATOM 1026 CD2 HIS A 66 4.674 -12.484 -28.607 1.00 72.21 C ATOM 1027 CE1 HIS A 66 4.679 -14.180 -27.278 1.00 45.01 C ATOM 1028 NE2 HIS A 66 4.161 -12.972 -27.415 1.00 11.12 N ATOM 0 H HIS A 66 5.257 -11.177 -30.975 1.00 40.13 H new ATOM 0 HA HIS A 66 7.658 -11.863 -29.671 1.00 72.13 H new ATOM 0 HB2 HIS A 66 5.619 -13.470 -31.276 1.00 5.25 H new ATOM 0 HB3 HIS A 66 6.964 -14.232 -30.450 1.00 5.25 H new ATOM 0 HD2 HIS A 66 4.455 -11.515 -29.030 1.00 72.21 H new ATOM 0 HE1 HIS A 66 4.483 -14.836 -26.443 1.00 45.01 H new ATOM 0 HE2 HIS A 66 3.520 -12.499 -26.779 1.00 11.12 H new ATOM 1036 N SER A 67 7.807 -11.899 -32.939 1.00 2.42 N ATOM 1037 CA SER A 67 8.693 -11.923 -34.112 1.00 0.34 C ATOM 1038 C SER A 67 8.675 -10.532 -34.773 1.00 12.23 C ATOM 1039 O SER A 67 7.779 -9.721 -34.490 1.00 73.45 O ATOM 1040 CB SER A 67 8.229 -13.027 -35.085 1.00 13.02 C ATOM 1041 OG SER A 67 9.112 -13.179 -36.188 1.00 22.51 O ATOM 0 H SER A 67 6.869 -11.556 -33.149 1.00 2.42 H new ATOM 0 HA SER A 67 9.718 -12.151 -33.819 1.00 0.34 H new ATOM 0 HB2 SER A 67 8.155 -13.973 -34.549 1.00 13.02 H new ATOM 0 HB3 SER A 67 7.231 -12.789 -35.452 1.00 13.02 H new ATOM 0 HG SER A 67 8.636 -12.970 -37.019 1.00 22.51 H new ATOM 1047 N GLY A 68 9.668 -10.256 -35.644 1.00 34.43 N ATOM 1048 CA GLY A 68 9.732 -8.977 -36.377 1.00 65.12 C ATOM 1049 C GLY A 68 8.592 -8.834 -37.380 1.00 74.20 C ATOM 1050 O GLY A 68 8.064 -7.737 -37.600 1.00 53.14 O ATOM 0 H GLY A 68 10.432 -10.898 -35.855 1.00 34.43 H new ATOM 0 HA2 GLY A 68 9.696 -8.151 -35.667 1.00 65.12 H new ATOM 0 HA3 GLY A 68 10.686 -8.907 -36.900 1.00 65.12 H new ATOM 1054 N GLU A 69 8.205 -9.978 -37.964 1.00 1.23 N ATOM 1055 CA GLU A 69 7.073 -10.101 -38.883 1.00 51.14 C ATOM 1056 C GLU A 69 6.483 -11.507 -38.728 1.00 32.34 C ATOM 1057 O GLU A 69 7.216 -12.485 -38.505 1.00 2.53 O ATOM 1058 CB GLU A 69 7.513 -9.851 -40.358 1.00 42.24 C ATOM 1059 CG GLU A 69 8.518 -10.879 -40.923 1.00 31.43 C ATOM 1060 CD GLU A 69 8.787 -10.730 -42.428 1.00 54.41 C ATOM 1061 OE1 GLU A 69 7.871 -11.011 -43.228 1.00 22.33 O ATOM 1062 OE2 GLU A 69 9.907 -10.341 -42.820 1.00 31.44 O ATOM 0 H GLU A 69 8.686 -10.863 -37.803 1.00 1.23 H new ATOM 0 HA GLU A 69 6.323 -9.348 -38.641 1.00 51.14 H new ATOM 0 HB2 GLU A 69 6.625 -9.848 -40.990 1.00 42.24 H new ATOM 0 HB3 GLU A 69 7.956 -8.857 -40.426 1.00 42.24 H new ATOM 0 HG2 GLU A 69 9.461 -10.783 -40.385 1.00 31.43 H new ATOM 0 HG3 GLU A 69 8.142 -11.883 -40.730 1.00 31.43 H new ATOM 1069 N LYS A 70 5.153 -11.600 -38.796 1.00 13.01 N ATOM 1070 CA LYS A 70 4.425 -12.874 -38.784 1.00 62.32 C ATOM 1071 C LYS A 70 3.396 -12.887 -39.933 1.00 60.33 C ATOM 1072 O LYS A 70 2.858 -11.829 -40.285 1.00 1.03 O ATOM 1073 CB LYS A 70 3.739 -13.064 -37.410 1.00 11.51 C ATOM 1074 CG LYS A 70 4.719 -13.397 -36.259 1.00 4.43 C ATOM 1075 CD LYS A 70 4.018 -13.460 -34.888 1.00 64.12 C ATOM 1076 CE LYS A 70 3.012 -14.616 -34.768 1.00 62.51 C ATOM 1077 NZ LYS A 70 2.230 -14.535 -33.505 1.00 34.33 N ATOM 0 H LYS A 70 4.543 -10.785 -38.862 1.00 13.01 H new ATOM 0 HA LYS A 70 5.116 -13.703 -38.936 1.00 62.32 H new ATOM 0 HB2 LYS A 70 3.194 -12.154 -37.158 1.00 11.51 H new ATOM 0 HB3 LYS A 70 3.003 -13.864 -37.490 1.00 11.51 H new ATOM 0 HG2 LYS A 70 5.201 -14.353 -36.462 1.00 4.43 H new ATOM 0 HG3 LYS A 70 5.506 -12.644 -36.227 1.00 4.43 H new ATOM 0 HD2 LYS A 70 4.772 -13.562 -34.107 1.00 64.12 H new ATOM 0 HD3 LYS A 70 3.500 -12.518 -34.710 1.00 64.12 H new ATOM 0 HE2 LYS A 70 2.332 -14.596 -35.619 1.00 62.51 H new ATOM 0 HE3 LYS A 70 3.544 -15.567 -34.807 1.00 62.51 H new ATOM 0 HZ1 LYS A 70 2.269 -15.451 -33.013 1.00 34.33 H new ATOM 0 HZ2 LYS A 70 2.633 -13.796 -32.894 1.00 34.33 H new ATOM 0 HZ3 LYS A 70 1.240 -14.301 -33.724 1.00 34.33 H new ATOM 1091 N PRO A 71 3.114 -14.086 -40.544 1.00 41.31 N ATOM 1092 CA PRO A 71 2.128 -14.223 -41.650 1.00 45.01 C ATOM 1093 C PRO A 71 0.724 -13.699 -41.270 1.00 13.05 C ATOM 1094 O PRO A 71 0.076 -14.234 -40.363 1.00 23.22 O ATOM 1095 CB PRO A 71 2.111 -15.757 -41.936 1.00 12.54 C ATOM 1096 CG PRO A 71 2.739 -16.392 -40.730 1.00 14.22 C ATOM 1097 CD PRO A 71 3.756 -15.395 -40.234 1.00 1.31 C ATOM 0 HA PRO A 71 2.405 -13.627 -42.520 1.00 45.01 H new ATOM 0 HB2 PRO A 71 1.093 -16.118 -42.085 1.00 12.54 H new ATOM 0 HB3 PRO A 71 2.670 -15.994 -42.841 1.00 12.54 H new ATOM 0 HG2 PRO A 71 1.992 -16.605 -39.965 1.00 14.22 H new ATOM 0 HG3 PRO A 71 3.212 -17.340 -40.987 1.00 14.22 H new ATOM 0 HD2 PRO A 71 3.947 -15.509 -39.167 1.00 1.31 H new ATOM 0 HD3 PRO A 71 4.713 -15.507 -40.743 1.00 1.31 H new ATOM 1105 N PHE A 72 0.301 -12.613 -41.934 1.00 53.31 N ATOM 1106 CA PHE A 72 -1.053 -12.063 -41.800 1.00 5.02 C ATOM 1107 C PHE A 72 -2.044 -12.984 -42.524 1.00 20.04 C ATOM 1108 O PHE A 72 -2.046 -13.030 -43.758 1.00 73.44 O ATOM 1109 CB PHE A 72 -1.102 -10.614 -42.372 1.00 73.12 C ATOM 1110 CG PHE A 72 -2.489 -9.956 -42.367 1.00 42.02 C ATOM 1111 CD1 PHE A 72 -3.123 -9.621 -41.166 1.00 20.11 C ATOM 1112 CD2 PHE A 72 -3.168 -9.688 -43.561 1.00 40.30 C ATOM 1113 CE1 PHE A 72 -4.381 -9.039 -41.165 1.00 4.41 C ATOM 1114 CE2 PHE A 72 -4.425 -9.111 -43.554 1.00 54.23 C ATOM 1115 CZ PHE A 72 -5.031 -8.787 -42.359 1.00 65.42 C ATOM 0 H PHE A 72 0.892 -12.091 -42.581 1.00 53.31 H new ATOM 0 HA PHE A 72 -1.331 -12.012 -40.747 1.00 5.02 H new ATOM 0 HB2 PHE A 72 -0.419 -9.990 -41.796 1.00 73.12 H new ATOM 0 HB3 PHE A 72 -0.730 -10.632 -43.396 1.00 73.12 H new ATOM 0 HD1 PHE A 72 -2.626 -9.818 -40.228 1.00 20.11 H new ATOM 0 HD2 PHE A 72 -2.703 -9.936 -44.504 1.00 40.30 H new ATOM 0 HE1 PHE A 72 -4.855 -8.782 -40.229 1.00 4.41 H new ATOM 0 HE2 PHE A 72 -4.933 -8.914 -44.487 1.00 54.23 H new ATOM 0 HZ PHE A 72 -6.013 -8.337 -42.355 1.00 65.42 H new ATOM 1125 N LYS A 73 -2.826 -13.740 -41.728 1.00 75.14 N ATOM 1126 CA LYS A 73 -3.867 -14.680 -42.209 1.00 41.51 C ATOM 1127 C LYS A 73 -3.237 -15.912 -42.898 1.00 72.52 C ATOM 1128 O LYS A 73 -2.862 -15.821 -44.088 1.00 71.10 O ATOM 1129 CB LYS A 73 -4.912 -13.981 -43.135 1.00 61.03 C ATOM 1130 CG LYS A 73 -5.700 -12.852 -42.449 1.00 63.41 C ATOM 1131 CD LYS A 73 -6.679 -12.125 -43.400 1.00 23.04 C ATOM 1132 CE LYS A 73 -7.735 -13.057 -44.012 1.00 2.34 C ATOM 1133 NZ LYS A 73 -8.628 -12.340 -44.960 1.00 12.42 N ATOM 1134 OXT LYS A 73 -3.106 -16.965 -42.232 1.00 37.89 O ATOM 0 H LYS A 73 -2.753 -13.716 -40.711 1.00 75.14 H new ATOM 0 HA LYS A 73 -4.409 -15.030 -41.330 1.00 41.51 H new ATOM 0 HB2 LYS A 73 -4.396 -13.574 -44.005 1.00 61.03 H new ATOM 0 HB3 LYS A 73 -5.614 -14.729 -43.502 1.00 61.03 H new ATOM 0 HG2 LYS A 73 -6.259 -13.266 -41.610 1.00 63.41 H new ATOM 0 HG3 LYS A 73 -4.998 -12.127 -42.037 1.00 63.41 H new ATOM 0 HD2 LYS A 73 -7.182 -11.327 -42.853 1.00 23.04 H new ATOM 0 HD3 LYS A 73 -6.112 -11.653 -44.202 1.00 23.04 H new ATOM 0 HE2 LYS A 73 -7.238 -13.876 -44.531 1.00 2.34 H new ATOM 0 HE3 LYS A 73 -8.333 -13.500 -43.216 1.00 2.34 H new ATOM 0 HZ1 LYS A 73 -9.326 -13.005 -45.350 1.00 12.42 H new ATOM 0 HZ2 LYS A 73 -9.122 -11.574 -44.459 1.00 12.42 H new ATOM 0 HZ3 LYS A 73 -8.062 -11.939 -45.734 1.00 12.42 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.317 -11.881 -24.849 1.00 61.21 ZN