USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 932 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 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 MET CE :methyl 174:sc= 0 (180deg=-0.0499) USER MOD Set 1.3: A 101 TYR OH : rot -116:sc= 0.736 USER MOD Set 1.4: A 113 HIS : no HD1:sc= -0.154 X(o=0.58,f=0.43) USER MOD Set 2.1: A 103 SER OG : rot 180:sc= -0.0276 USER MOD Set 2.2: A 105 THR OG1 : rot 110:sc= -0.191 USER MOD Set 2.3: A 106 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 33 TYR OH : rot -159:sc= 0.133 USER MOD Set 3.2: A 54 GLN : amide:sc= 0.189 K(o=0.32,f=-3.5!) USER MOD Set 4.1: A 37 TYR OH : rot -97:sc= 1.16 USER MOD Set 4.2: A 49 HIS : no HD1:sc= 0.624 K(o=1.1,f=-4.3!) USER MOD Set 4.3: A 77 HIS : no HD1:sc= 0.508 K(o=1.1,f=-1.6) USER MOD Set 4.4: A 78 MET CE :methyl -124:sc= -1.16 (180deg=-3.78!) USER MOD Set 4.5: A 81 MET CE :methyl -171:sc= 0 (180deg=-0.0403) USER MOD Set 5.1: A 25 THR OG1 : rot -15:sc= 0.265 USER MOD Set 5.2: A 98 MET CE :methyl 149:sc= -0.0793 (180deg=-0.441) USER MOD Set 6.1: A 1 MET N :NH3+ 165:sc= 1.2 (180deg=0.288) USER MOD Set 6.2: A 97 TYR OH : rot 130:sc= 0.289 USER MOD Single : A 1 MET CE :methyl -110:sc= -0.0699 (180deg=-2.08!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 91:sc= 0.568 USER MOD Single : A 6 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.74) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 31:sc= -0.209 USER MOD Single : A 13 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.26) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc=-0.000289 (180deg=-0.0502) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0141) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 40 THR OG1 : rot -68:sc= 0.508 USER MOD Single : A 41 ASN : amide:sc= 0.0134 K(o=0.013,f=-4.1!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.052) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0.678 (180deg=0.673) USER MOD Single : A 58 LYS NZ :NH3+ -113:sc= 0.322 (180deg=-0.0754) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= 0.487 (180deg=-0.378) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 GLN : amide:sc= 0.244 K(o=0.24,f=-6.2!) USER MOD Single : A 76 SER OG : rot 19:sc= 0.174 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.435 (180deg=-1.19) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 84:sc= 0.0396 USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0123) USER MOD Single : A 94 THR OG1 : rot 138:sc= 0.0526 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 104 THR OG1 : rot -60:sc= 0.562 USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= 0.593 (180deg=0.395) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 0.00246 X(o=0.0025,f=-0.22) USER MOD Single : A 114 LYS NZ :NH3+ -108:sc= 0.723 (180deg=-1.76!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -171:sc=-0.00173 (180deg=-0.0833) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.155 15.740 -1.451 1.00 0.00 N ATOM 2 CA MET A 1 -5.302 16.194 -2.858 1.00 52.33 C ATOM 3 C MET A 1 -6.434 15.419 -3.562 1.00 2.22 C ATOM 4 O MET A 1 -6.791 14.308 -3.147 1.00 42.31 O ATOM 5 CB MET A 1 -3.958 16.054 -3.623 1.00 13.24 C ATOM 6 CG MET A 1 -3.426 14.617 -3.739 1.00 25.04 C ATOM 7 SD MET A 1 -1.808 14.519 -4.530 1.00 14.20 S ATOM 8 CE MET A 1 -0.750 15.369 -3.352 1.00 22.33 C ATOM 0 H1 MET A 1 -4.246 16.075 -1.071 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.933 16.126 -0.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.183 14.701 -1.417 1.00 0.00 H new ATOM 0 HA MET A 1 -5.573 17.250 -2.855 1.00 52.33 H new ATOM 0 HB2 MET A 1 -4.084 16.461 -4.626 1.00 13.24 H new ATOM 0 HB3 MET A 1 -3.207 16.665 -3.123 1.00 13.24 H new ATOM 0 HG2 MET A 1 -3.363 14.178 -2.743 1.00 25.04 H new ATOM 0 HG3 MET A 1 -4.138 14.018 -4.307 1.00 25.04 H new ATOM 0 HE1 MET A 1 -0.428 16.322 -3.773 1.00 22.33 H new ATOM 0 HE2 MET A 1 -1.303 15.548 -2.430 1.00 22.33 H new ATOM 0 HE3 MET A 1 0.124 14.754 -3.138 1.00 22.33 H new ATOM 20 N LYS A 2 -6.982 16.011 -4.629 1.00 20.23 N ATOM 21 CA LYS A 2 -8.167 15.477 -5.335 1.00 21.43 C ATOM 22 C LYS A 2 -7.765 14.696 -6.615 1.00 25.40 C ATOM 23 O LYS A 2 -6.644 14.839 -7.120 1.00 74.21 O ATOM 24 CB LYS A 2 -9.122 16.665 -5.648 1.00 71.44 C ATOM 25 CG LYS A 2 -10.479 16.278 -6.285 1.00 13.05 C ATOM 26 CD LYS A 2 -11.519 17.421 -6.240 1.00 72.41 C ATOM 27 CE LYS A 2 -11.067 18.697 -6.973 1.00 25.33 C ATOM 28 NZ LYS A 2 -12.084 19.773 -6.871 1.00 21.05 N ATOM 0 H LYS A 2 -6.621 16.875 -5.033 1.00 20.23 H new ATOM 0 HA LYS A 2 -8.684 14.757 -4.700 1.00 21.43 H new ATOM 0 HB2 LYS A 2 -9.316 17.206 -4.722 1.00 71.44 H new ATOM 0 HB3 LYS A 2 -8.609 17.354 -6.319 1.00 71.44 H new ATOM 0 HG2 LYS A 2 -10.316 15.984 -7.322 1.00 13.05 H new ATOM 0 HG3 LYS A 2 -10.882 15.408 -5.767 1.00 13.05 H new ATOM 0 HD2 LYS A 2 -12.451 17.070 -6.682 1.00 72.41 H new ATOM 0 HD3 LYS A 2 -11.732 17.666 -5.199 1.00 72.41 H new ATOM 0 HE2 LYS A 2 -10.124 19.045 -6.551 1.00 25.33 H new ATOM 0 HE3 LYS A 2 -10.882 18.468 -8.023 1.00 25.33 H new ATOM 0 HZ1 LYS A 2 -11.747 20.618 -7.376 1.00 21.05 H new ATOM 0 HZ2 LYS A 2 -12.976 19.449 -7.296 1.00 21.05 H new ATOM 0 HZ3 LYS A 2 -12.242 20.008 -5.870 1.00 21.05 H new ATOM 42 N VAL A 3 -8.695 13.856 -7.118 1.00 55.11 N ATOM 43 CA VAL A 3 -8.496 13.055 -8.346 1.00 64.21 C ATOM 44 C VAL A 3 -8.267 13.960 -9.597 1.00 14.34 C ATOM 45 O VAL A 3 -9.001 14.921 -9.830 1.00 41.33 O ATOM 46 CB VAL A 3 -9.713 12.079 -8.590 1.00 21.35 C ATOM 47 CG1 VAL A 3 -9.513 11.210 -9.860 1.00 15.31 C ATOM 48 CG2 VAL A 3 -9.969 11.185 -7.349 1.00 2.21 C ATOM 0 H VAL A 3 -9.607 13.714 -6.683 1.00 55.11 H new ATOM 0 HA VAL A 3 -7.596 12.458 -8.197 1.00 64.21 H new ATOM 0 HB VAL A 3 -10.593 12.700 -8.753 1.00 21.35 H new ATOM 0 HG11 VAL A 3 -10.373 10.553 -9.991 1.00 15.31 H new ATOM 0 HG12 VAL A 3 -9.415 11.857 -10.732 1.00 15.31 H new ATOM 0 HG13 VAL A 3 -8.610 10.609 -9.751 1.00 15.31 H new ATOM 0 HG21 VAL A 3 -10.812 10.523 -7.545 1.00 2.21 H new ATOM 0 HG22 VAL A 3 -9.081 10.589 -7.141 1.00 2.21 H new ATOM 0 HG23 VAL A 3 -10.194 11.814 -6.488 1.00 2.21 H new ATOM 58 N GLY A 4 -7.230 13.618 -10.375 1.00 20.42 N ATOM 59 CA GLY A 4 -6.824 14.375 -11.571 1.00 1.31 C ATOM 60 C GLY A 4 -5.542 15.190 -11.374 1.00 32.24 C ATOM 61 O GLY A 4 -5.026 15.767 -12.334 1.00 51.44 O ATOM 0 H GLY A 4 -6.645 12.803 -10.192 1.00 20.42 H new ATOM 0 HA2 GLY A 4 -6.680 13.681 -12.399 1.00 1.31 H new ATOM 0 HA3 GLY A 4 -7.632 15.048 -11.857 1.00 1.31 H new ATOM 65 N SER A 5 -5.031 15.244 -10.125 1.00 64.24 N ATOM 66 CA SER A 5 -3.777 15.973 -9.793 1.00 63.41 C ATOM 67 C SER A 5 -2.517 15.197 -10.265 1.00 15.23 C ATOM 68 O SER A 5 -2.414 13.989 -10.055 1.00 3.12 O ATOM 69 CB SER A 5 -3.688 16.235 -8.267 1.00 4.51 C ATOM 70 OG SER A 5 -4.783 17.016 -7.805 1.00 41.14 O ATOM 0 H SER A 5 -5.467 14.790 -9.322 1.00 64.24 H new ATOM 0 HA SER A 5 -3.807 16.925 -10.323 1.00 63.41 H new ATOM 0 HB2 SER A 5 -3.668 15.284 -7.735 1.00 4.51 H new ATOM 0 HB3 SER A 5 -2.753 16.747 -8.039 1.00 4.51 H new ATOM 0 HG SER A 5 -5.514 16.424 -7.530 1.00 41.14 H new ATOM 76 N GLN A 6 -1.562 15.911 -10.895 1.00 30.01 N ATOM 77 CA GLN A 6 -0.269 15.329 -11.343 1.00 14.33 C ATOM 78 C GLN A 6 0.816 15.591 -10.275 1.00 62.04 C ATOM 79 O GLN A 6 1.065 16.744 -9.891 1.00 42.34 O ATOM 80 CB GLN A 6 0.170 15.897 -12.731 1.00 4.21 C ATOM 81 CG GLN A 6 -0.693 15.435 -13.939 1.00 24.31 C ATOM 82 CD GLN A 6 -2.126 15.983 -13.957 1.00 51.15 C ATOM 83 OE1 GLN A 6 -2.396 17.086 -13.494 1.00 53.32 O ATOM 84 NE2 GLN A 6 -3.057 15.218 -14.492 1.00 54.45 N ATOM 0 H GLN A 6 -1.659 16.903 -11.109 1.00 30.01 H new ATOM 0 HA GLN A 6 -0.401 14.254 -11.464 1.00 14.33 H new ATOM 0 HB2 GLN A 6 0.147 16.986 -12.684 1.00 4.21 H new ATOM 0 HB3 GLN A 6 1.205 15.608 -12.913 1.00 4.21 H new ATOM 0 HG2 GLN A 6 -0.193 15.736 -14.860 1.00 24.31 H new ATOM 0 HG3 GLN A 6 -0.736 14.346 -13.941 1.00 24.31 H new ATOM 0 HE21 GLN A 6 -2.810 14.304 -14.871 1.00 54.45 H new ATOM 0 HE22 GLN A 6 -4.024 15.540 -14.527 1.00 54.45 H new ATOM 93 N VAL A 7 1.448 14.508 -9.793 1.00 13.44 N ATOM 94 CA VAL A 7 2.400 14.548 -8.660 1.00 33.14 C ATOM 95 C VAL A 7 3.721 13.824 -8.995 1.00 34.32 C ATOM 96 O VAL A 7 3.769 12.950 -9.854 1.00 70.14 O ATOM 97 CB VAL A 7 1.763 13.910 -7.360 1.00 62.51 C ATOM 98 CG1 VAL A 7 0.528 14.718 -6.891 1.00 64.53 C ATOM 99 CG2 VAL A 7 1.392 12.414 -7.571 1.00 54.42 C ATOM 0 H VAL A 7 1.315 13.573 -10.178 1.00 13.44 H new ATOM 0 HA VAL A 7 2.622 15.599 -8.472 1.00 33.14 H new ATOM 0 HB VAL A 7 2.520 13.954 -6.577 1.00 62.51 H new ATOM 0 HG11 VAL A 7 0.110 14.257 -5.996 1.00 64.53 H new ATOM 0 HG12 VAL A 7 0.827 15.742 -6.666 1.00 64.53 H new ATOM 0 HG13 VAL A 7 -0.224 14.725 -7.680 1.00 64.53 H new ATOM 0 HG21 VAL A 7 0.958 12.014 -6.655 1.00 54.42 H new ATOM 0 HG22 VAL A 7 0.669 12.329 -8.382 1.00 54.42 H new ATOM 0 HG23 VAL A 7 2.289 11.849 -7.824 1.00 54.42 H new ATOM 109 N ILE A 8 4.796 14.232 -8.310 1.00 1.24 N ATOM 110 CA ILE A 8 6.107 13.551 -8.350 1.00 43.03 C ATOM 111 C ILE A 8 6.249 12.620 -7.118 1.00 60.21 C ATOM 112 O ILE A 8 6.033 13.044 -5.975 1.00 2.42 O ATOM 113 CB ILE A 8 7.291 14.595 -8.369 1.00 34.24 C ATOM 114 CG1 ILE A 8 7.105 15.635 -9.529 1.00 32.30 C ATOM 115 CG2 ILE A 8 8.676 13.896 -8.466 1.00 23.12 C ATOM 116 CD1 ILE A 8 7.056 15.039 -10.931 1.00 24.04 C ATOM 0 H ILE A 8 4.786 15.053 -7.704 1.00 1.24 H new ATOM 0 HA ILE A 8 6.158 12.961 -9.265 1.00 43.03 H new ATOM 0 HB ILE A 8 7.264 15.133 -7.421 1.00 34.24 H new ATOM 0 HG12 ILE A 8 6.183 16.189 -9.354 1.00 32.30 H new ATOM 0 HG13 ILE A 8 7.923 16.354 -9.485 1.00 32.30 H new ATOM 0 HG21 ILE A 8 9.464 14.649 -8.476 1.00 23.12 H new ATOM 0 HG22 ILE A 8 8.813 13.239 -7.607 1.00 23.12 H new ATOM 0 HG23 ILE A 8 8.724 13.309 -9.383 1.00 23.12 H new ATOM 0 HD11 ILE A 8 6.925 15.837 -11.661 1.00 24.04 H new ATOM 0 HD12 ILE A 8 7.987 14.510 -11.134 1.00 24.04 H new ATOM 0 HD13 ILE A 8 6.220 14.343 -11.001 1.00 24.04 H new ATOM 128 N ILE A 9 6.607 11.352 -7.366 1.00 4.22 N ATOM 129 CA ILE A 9 6.775 10.331 -6.307 1.00 72.21 C ATOM 130 C ILE A 9 8.140 10.534 -5.584 1.00 72.21 C ATOM 131 O ILE A 9 9.193 10.299 -6.180 1.00 55.43 O ATOM 132 CB ILE A 9 6.689 8.884 -6.932 1.00 71.44 C ATOM 133 CG1 ILE A 9 5.394 8.717 -7.801 1.00 52.02 C ATOM 134 CG2 ILE A 9 6.772 7.789 -5.839 1.00 41.14 C ATOM 135 CD1 ILE A 9 5.307 7.401 -8.565 1.00 52.34 C ATOM 0 H ILE A 9 6.790 10.999 -8.305 1.00 4.22 H new ATOM 0 HA ILE A 9 5.974 10.440 -5.575 1.00 72.21 H new ATOM 0 HB ILE A 9 7.550 8.760 -7.589 1.00 71.44 H new ATOM 0 HG12 ILE A 9 4.523 8.803 -7.151 1.00 52.02 H new ATOM 0 HG13 ILE A 9 5.342 9.540 -8.514 1.00 52.02 H new ATOM 0 HG21 ILE A 9 6.710 6.805 -6.304 1.00 41.14 H new ATOM 0 HG22 ILE A 9 7.718 7.879 -5.305 1.00 41.14 H new ATOM 0 HG23 ILE A 9 5.947 7.912 -5.138 1.00 41.14 H new ATOM 0 HD11 ILE A 9 4.380 7.373 -9.137 1.00 52.34 H new ATOM 0 HD12 ILE A 9 6.155 7.318 -9.244 1.00 52.34 H new ATOM 0 HD13 ILE A 9 5.323 6.569 -7.860 1.00 52.34 H new ATOM 147 N ASN A 10 8.116 10.984 -4.309 1.00 11.00 N ATOM 148 CA ASN A 10 9.351 11.351 -3.559 1.00 33.13 C ATOM 149 C ASN A 10 9.953 10.109 -2.849 1.00 21.41 C ATOM 150 O ASN A 10 11.145 9.811 -2.996 1.00 31.22 O ATOM 151 CB ASN A 10 9.046 12.489 -2.544 1.00 62.14 C ATOM 152 CG ASN A 10 10.290 13.029 -1.819 1.00 75.34 C ATOM 153 OD1 ASN A 10 11.402 13.016 -2.348 1.00 64.54 O ATOM 154 ND2 ASN A 10 10.113 13.531 -0.609 1.00 72.02 N ATOM 0 H ASN A 10 7.257 11.104 -3.773 1.00 11.00 H new ATOM 0 HA ASN A 10 10.094 11.718 -4.267 1.00 33.13 H new ATOM 0 HB2 ASN A 10 8.559 13.310 -3.070 1.00 62.14 H new ATOM 0 HB3 ASN A 10 8.337 12.121 -1.803 1.00 62.14 H new ATOM 0 HD21 ASN A 10 10.906 13.917 -0.096 1.00 72.02 H new ATOM 0 HD22 ASN A 10 9.184 13.532 -0.188 1.00 72.02 H new ATOM 161 N THR A 11 9.124 9.414 -2.059 1.00 41.54 N ATOM 162 CA THR A 11 9.469 8.096 -1.478 1.00 1.11 C ATOM 163 C THR A 11 8.991 6.992 -2.440 1.00 21.31 C ATOM 164 O THR A 11 7.891 7.087 -2.985 1.00 31.05 O ATOM 165 CB THR A 11 8.786 7.893 -0.086 1.00 32.32 C ATOM 166 OG1 THR A 11 9.153 8.951 0.810 1.00 35.22 O ATOM 167 CG2 THR A 11 9.123 6.532 0.556 1.00 22.10 C ATOM 0 H THR A 11 8.194 9.744 -1.801 1.00 41.54 H new ATOM 0 HA THR A 11 10.549 8.048 -1.338 1.00 1.11 H new ATOM 0 HB THR A 11 7.711 7.911 -0.264 1.00 32.32 H new ATOM 0 HG1 THR A 11 8.717 8.812 1.677 1.00 35.22 H new ATOM 0 HG21 THR A 11 8.620 6.450 1.520 1.00 22.10 H new ATOM 0 HG22 THR A 11 8.787 5.728 -0.098 1.00 22.10 H new ATOM 0 HG23 THR A 11 10.201 6.455 0.701 1.00 22.10 H new ATOM 175 N SER A 12 9.788 5.928 -2.611 1.00 45.45 N ATOM 176 CA SER A 12 9.509 4.880 -3.615 1.00 42.12 C ATOM 177 C SER A 12 9.651 3.463 -3.020 1.00 71.01 C ATOM 178 O SER A 12 10.697 3.119 -2.459 1.00 42.42 O ATOM 179 CB SER A 12 10.464 5.049 -4.820 1.00 41.31 C ATOM 180 OG SER A 12 11.831 4.915 -4.448 1.00 43.52 O ATOM 0 H SER A 12 10.635 5.766 -2.067 1.00 45.45 H new ATOM 0 HA SER A 12 8.476 4.995 -3.944 1.00 42.12 H new ATOM 0 HB2 SER A 12 10.222 4.306 -5.580 1.00 41.31 H new ATOM 0 HB3 SER A 12 10.307 6.029 -5.271 1.00 41.31 H new ATOM 0 HG SER A 12 11.905 4.298 -3.690 1.00 43.52 H new ATOM 186 N HIS A 13 8.580 2.657 -3.149 1.00 75.52 N ATOM 187 CA HIS A 13 8.596 1.218 -2.795 1.00 31.25 C ATOM 188 C HIS A 13 9.440 0.423 -3.830 1.00 45.23 C ATOM 189 O HIS A 13 10.072 -0.582 -3.498 1.00 72.22 O ATOM 190 CB HIS A 13 7.142 0.662 -2.733 1.00 42.23 C ATOM 191 CG HIS A 13 6.238 1.372 -1.743 1.00 50.10 C ATOM 192 ND1 HIS A 13 5.848 0.776 -0.564 1.00 64.12 N ATOM 193 CD2 HIS A 13 5.653 2.597 -1.821 1.00 11.41 C ATOM 194 CE1 HIS A 13 5.039 1.636 0.034 1.00 73.23 C ATOM 195 NE2 HIS A 13 4.894 2.747 -0.693 1.00 14.20 N ATOM 0 H HIS A 13 7.679 2.981 -3.501 1.00 75.52 H new ATOM 0 HA HIS A 13 9.052 1.101 -1.812 1.00 31.25 H new ATOM 0 HB2 HIS A 13 6.698 0.731 -3.726 1.00 42.23 H new ATOM 0 HB3 HIS A 13 7.182 -0.396 -2.475 1.00 42.23 H new ATOM 0 HD2 HIS A 13 5.766 3.314 -2.621 1.00 11.41 H new ATOM 0 HE1 HIS A 13 4.559 1.462 0.986 1.00 73.23 H new ATOM 0 HE2 HIS A 13 4.323 3.557 -0.452 1.00 14.20 H new ATOM 203 N MET A 14 9.401 0.886 -5.100 1.00 44.02 N ATOM 204 CA MET A 14 10.248 0.375 -6.209 1.00 35.53 C ATOM 205 C MET A 14 11.199 1.516 -6.687 1.00 13.24 C ATOM 206 O MET A 14 10.760 2.650 -6.839 1.00 40.42 O ATOM 207 CB MET A 14 9.351 -0.126 -7.384 1.00 51.44 C ATOM 208 CG MET A 14 8.295 -1.188 -7.008 1.00 35.43 C ATOM 209 SD MET A 14 6.953 -0.508 -5.997 1.00 51.53 S ATOM 210 CE MET A 14 5.882 -1.927 -5.749 1.00 71.01 C ATOM 0 H MET A 14 8.773 1.635 -5.390 1.00 44.02 H new ATOM 0 HA MET A 14 10.846 -0.467 -5.860 1.00 35.53 H new ATOM 0 HB2 MET A 14 8.839 0.732 -7.819 1.00 51.44 H new ATOM 0 HB3 MET A 14 9.996 -0.539 -8.160 1.00 51.44 H new ATOM 0 HG2 MET A 14 7.877 -1.618 -7.918 1.00 35.43 H new ATOM 0 HG3 MET A 14 8.779 -2.000 -6.465 1.00 35.43 H new ATOM 0 HE1 MET A 14 5.024 -1.634 -5.143 1.00 71.01 H new ATOM 0 HE2 MET A 14 5.536 -2.295 -6.715 1.00 71.01 H new ATOM 0 HE3 MET A 14 6.435 -2.715 -5.238 1.00 71.01 H new ATOM 220 N LYS A 15 12.487 1.202 -6.949 1.00 0.22 N ATOM 221 CA LYS A 15 13.562 2.224 -7.184 1.00 74.33 C ATOM 222 C LYS A 15 13.308 3.165 -8.402 1.00 42.22 C ATOM 223 O LYS A 15 13.720 4.332 -8.383 1.00 43.31 O ATOM 224 CB LYS A 15 14.962 1.520 -7.277 1.00 73.21 C ATOM 225 CG LYS A 15 15.084 0.348 -8.295 1.00 3.34 C ATOM 226 CD LYS A 15 15.401 0.795 -9.743 1.00 73.31 C ATOM 227 CE LYS A 15 15.414 -0.384 -10.731 1.00 4.54 C ATOM 228 NZ LYS A 15 16.401 -1.428 -10.359 1.00 72.33 N ATOM 0 H LYS A 15 12.822 0.240 -7.006 1.00 0.22 H new ATOM 0 HA LYS A 15 13.545 2.888 -6.320 1.00 74.33 H new ATOM 0 HB2 LYS A 15 15.706 2.274 -7.534 1.00 73.21 H new ATOM 0 HB3 LYS A 15 15.220 1.141 -6.288 1.00 73.21 H new ATOM 0 HG2 LYS A 15 15.866 -0.332 -7.957 1.00 3.34 H new ATOM 0 HG3 LYS A 15 14.151 -0.215 -8.297 1.00 3.34 H new ATOM 0 HD2 LYS A 15 14.660 1.527 -10.065 1.00 73.31 H new ATOM 0 HD3 LYS A 15 16.371 1.293 -9.763 1.00 73.31 H new ATOM 0 HE2 LYS A 15 14.420 -0.828 -10.774 1.00 4.54 H new ATOM 0 HE3 LYS A 15 15.642 -0.013 -11.731 1.00 4.54 H new ATOM 0 HZ1 LYS A 15 16.443 -2.149 -11.108 1.00 72.33 H new ATOM 0 HZ2 LYS A 15 17.339 -0.994 -10.244 1.00 72.33 H new ATOM 0 HZ3 LYS A 15 16.114 -1.874 -9.465 1.00 72.33 H new ATOM 242 N GLY A 16 12.617 2.658 -9.442 1.00 4.25 N ATOM 243 CA GLY A 16 12.307 3.452 -10.653 1.00 53.23 C ATOM 244 C GLY A 16 11.132 4.425 -10.495 1.00 74.25 C ATOM 245 O GLY A 16 10.837 5.201 -11.404 1.00 44.11 O ATOM 0 H GLY A 16 12.262 1.702 -9.470 1.00 4.25 H new ATOM 0 HA2 GLY A 16 13.194 4.018 -10.938 1.00 53.23 H new ATOM 0 HA3 GLY A 16 12.088 2.769 -11.473 1.00 53.23 H new ATOM 249 N MET A 17 10.483 4.403 -9.330 1.00 33.22 N ATOM 250 CA MET A 17 9.310 5.252 -9.030 1.00 54.24 C ATOM 251 C MET A 17 9.742 6.628 -8.491 1.00 21.13 C ATOM 252 O MET A 17 9.015 7.607 -8.644 1.00 22.42 O ATOM 253 CB MET A 17 8.406 4.534 -8.004 1.00 20.22 C ATOM 254 CG MET A 17 7.855 3.198 -8.508 1.00 31.10 C ATOM 255 SD MET A 17 7.161 2.165 -7.202 1.00 73.14 S ATOM 256 CE MET A 17 6.000 3.229 -6.384 1.00 44.22 C ATOM 0 H MET A 17 10.752 3.794 -8.557 1.00 33.22 H new ATOM 0 HA MET A 17 8.754 5.417 -9.953 1.00 54.24 H new ATOM 0 HB2 MET A 17 8.973 4.363 -7.089 1.00 20.22 H new ATOM 0 HB3 MET A 17 7.573 5.188 -7.745 1.00 20.22 H new ATOM 0 HG2 MET A 17 7.085 3.391 -9.255 1.00 31.10 H new ATOM 0 HG3 MET A 17 8.654 2.650 -9.007 1.00 31.10 H new ATOM 0 HE1 MET A 17 5.446 2.658 -5.638 1.00 44.22 H new ATOM 0 HE2 MET A 17 6.535 4.043 -5.895 1.00 44.22 H new ATOM 0 HE3 MET A 17 5.305 3.640 -7.116 1.00 44.22 H new ATOM 266 N LYS A 18 10.925 6.691 -7.858 1.00 43.21 N ATOM 267 CA LYS A 18 11.455 7.944 -7.287 1.00 53.31 C ATOM 268 C LYS A 18 11.809 8.960 -8.405 1.00 3.54 C ATOM 269 O LYS A 18 12.588 8.653 -9.309 1.00 41.22 O ATOM 270 CB LYS A 18 12.676 7.640 -6.383 1.00 64.31 C ATOM 271 CG LYS A 18 13.146 8.833 -5.518 1.00 1.13 C ATOM 272 CD LYS A 18 14.162 8.415 -4.427 1.00 61.02 C ATOM 273 CE LYS A 18 14.563 9.587 -3.516 1.00 30.50 C ATOM 274 NZ LYS A 18 15.283 10.657 -4.261 1.00 55.44 N ATOM 0 H LYS A 18 11.537 5.885 -7.728 1.00 43.21 H new ATOM 0 HA LYS A 18 10.682 8.403 -6.671 1.00 53.31 H new ATOM 0 HB2 LYS A 18 12.427 6.807 -5.726 1.00 64.31 H new ATOM 0 HB3 LYS A 18 13.505 7.314 -7.011 1.00 64.31 H new ATOM 0 HG2 LYS A 18 13.599 9.587 -6.161 1.00 1.13 H new ATOM 0 HG3 LYS A 18 12.281 9.297 -5.045 1.00 1.13 H new ATOM 0 HD2 LYS A 18 13.732 7.618 -3.820 1.00 61.02 H new ATOM 0 HD3 LYS A 18 15.054 8.007 -4.903 1.00 61.02 H new ATOM 0 HE2 LYS A 18 13.670 10.007 -3.053 1.00 30.50 H new ATOM 0 HE3 LYS A 18 15.197 9.218 -2.710 1.00 30.50 H new ATOM 0 HZ1 LYS A 18 15.593 11.394 -3.596 1.00 55.44 H new ATOM 0 HZ2 LYS A 18 16.112 10.250 -4.738 1.00 55.44 H new ATOM 0 HZ3 LYS A 18 14.647 11.075 -4.969 1.00 55.44 H new ATOM 288 N GLY A 19 11.184 10.150 -8.344 1.00 24.20 N ATOM 289 CA GLY A 19 11.335 11.191 -9.370 1.00 41.23 C ATOM 290 C GLY A 19 10.342 11.056 -10.534 1.00 33.13 C ATOM 291 O GLY A 19 10.305 11.919 -11.412 1.00 31.45 O ATOM 0 H GLY A 19 10.561 10.414 -7.581 1.00 24.20 H new ATOM 0 HA2 GLY A 19 11.206 12.169 -8.905 1.00 41.23 H new ATOM 0 HA3 GLY A 19 12.351 11.156 -9.764 1.00 41.23 H new ATOM 295 N ALA A 20 9.518 9.983 -10.531 1.00 23.40 N ATOM 296 CA ALA A 20 8.567 9.683 -11.632 1.00 22.43 C ATOM 297 C ALA A 20 7.287 10.547 -11.565 1.00 60.03 C ATOM 298 O ALA A 20 6.839 10.940 -10.481 1.00 53.53 O ATOM 299 CB ALA A 20 8.197 8.195 -11.631 1.00 13.13 C ATOM 0 H ALA A 20 9.492 9.303 -9.771 1.00 23.40 H new ATOM 0 HA ALA A 20 9.076 9.932 -12.563 1.00 22.43 H new ATOM 0 HB1 ALA A 20 7.500 7.993 -12.444 1.00 13.13 H new ATOM 0 HB2 ALA A 20 9.097 7.596 -11.768 1.00 13.13 H new ATOM 0 HB3 ALA A 20 7.731 7.937 -10.680 1.00 13.13 H new ATOM 305 N GLU A 21 6.700 10.805 -12.749 1.00 45.51 N ATOM 306 CA GLU A 21 5.475 11.621 -12.899 1.00 41.11 C ATOM 307 C GLU A 21 4.195 10.745 -12.817 1.00 20.31 C ATOM 308 O GLU A 21 3.831 10.059 -13.780 1.00 11.43 O ATOM 309 CB GLU A 21 5.531 12.396 -14.246 1.00 14.20 C ATOM 310 CG GLU A 21 6.718 13.376 -14.351 1.00 72.22 C ATOM 311 CD GLU A 21 6.776 14.130 -15.688 1.00 51.25 C ATOM 312 OE1 GLU A 21 6.036 15.123 -15.846 1.00 0.21 O ATOM 313 OE2 GLU A 21 7.567 13.744 -16.580 1.00 64.11 O ATOM 0 H GLU A 21 7.063 10.452 -13.635 1.00 45.51 H new ATOM 0 HA GLU A 21 5.429 12.334 -12.076 1.00 41.11 H new ATOM 0 HB2 GLU A 21 5.590 11.679 -15.065 1.00 14.20 H new ATOM 0 HB3 GLU A 21 4.601 12.951 -14.374 1.00 14.20 H new ATOM 0 HG2 GLU A 21 6.654 14.099 -13.538 1.00 72.22 H new ATOM 0 HG3 GLU A 21 7.648 12.824 -14.214 1.00 72.22 H new ATOM 320 N ALA A 22 3.546 10.755 -11.639 1.00 42.21 N ATOM 321 CA ALA A 22 2.269 10.049 -11.397 1.00 33.42 C ATOM 322 C ALA A 22 1.043 10.964 -11.614 1.00 33.53 C ATOM 323 O ALA A 22 1.155 12.193 -11.650 1.00 42.13 O ATOM 324 CB ALA A 22 2.253 9.476 -9.969 1.00 22.55 C ATOM 0 H ALA A 22 3.893 11.256 -10.821 1.00 42.21 H new ATOM 0 HA ALA A 22 2.200 9.238 -12.122 1.00 33.42 H new ATOM 0 HB1 ALA A 22 1.310 8.957 -9.796 1.00 22.55 H new ATOM 0 HB2 ALA A 22 3.080 8.776 -9.848 1.00 22.55 H new ATOM 0 HB3 ALA A 22 2.357 10.288 -9.250 1.00 22.55 H new ATOM 330 N THR A 23 -0.129 10.333 -11.752 1.00 34.03 N ATOM 331 CA THR A 23 -1.437 11.017 -11.802 1.00 31.12 C ATOM 332 C THR A 23 -2.401 10.326 -10.819 1.00 11.45 C ATOM 333 O THR A 23 -2.527 9.100 -10.839 1.00 44.01 O ATOM 334 CB THR A 23 -2.057 10.994 -13.247 1.00 62.14 C ATOM 335 OG1 THR A 23 -1.130 11.560 -14.194 1.00 0.30 O ATOM 336 CG2 THR A 23 -3.393 11.770 -13.324 1.00 2.12 C ATOM 0 H THR A 23 -0.202 9.319 -11.834 1.00 34.03 H new ATOM 0 HA THR A 23 -1.286 12.060 -11.524 1.00 31.12 H new ATOM 0 HB THR A 23 -2.257 9.950 -13.490 1.00 62.14 H new ATOM 0 HG1 THR A 23 -1.525 11.539 -15.091 1.00 0.30 H new ATOM 0 HG21 THR A 23 -3.782 11.725 -14.341 1.00 2.12 H new ATOM 0 HG22 THR A 23 -4.114 11.322 -12.640 1.00 2.12 H new ATOM 0 HG23 THR A 23 -3.226 12.810 -13.045 1.00 2.12 H new ATOM 344 N VAL A 24 -3.079 11.115 -9.975 1.00 74.24 N ATOM 345 CA VAL A 24 -4.033 10.594 -8.974 1.00 13.34 C ATOM 346 C VAL A 24 -5.335 10.143 -9.685 1.00 2.20 C ATOM 347 O VAL A 24 -6.136 10.971 -10.106 1.00 24.33 O ATOM 348 CB VAL A 24 -4.349 11.675 -7.866 1.00 44.15 C ATOM 349 CG1 VAL A 24 -5.366 11.149 -6.817 1.00 54.14 C ATOM 350 CG2 VAL A 24 -3.045 12.165 -7.183 1.00 64.22 C ATOM 0 H VAL A 24 -2.985 12.131 -9.963 1.00 74.24 H new ATOM 0 HA VAL A 24 -3.580 9.737 -8.475 1.00 13.34 H new ATOM 0 HB VAL A 24 -4.813 12.526 -8.365 1.00 44.15 H new ATOM 0 HG11 VAL A 24 -5.555 11.923 -6.074 1.00 54.14 H new ATOM 0 HG12 VAL A 24 -6.300 10.888 -7.315 1.00 54.14 H new ATOM 0 HG13 VAL A 24 -4.958 10.266 -6.325 1.00 54.14 H new ATOM 0 HG21 VAL A 24 -3.289 12.909 -6.424 1.00 64.22 H new ATOM 0 HG22 VAL A 24 -2.540 11.320 -6.714 1.00 64.22 H new ATOM 0 HG23 VAL A 24 -2.388 12.611 -7.930 1.00 64.22 H new ATOM 360 N THR A 25 -5.512 8.827 -9.855 1.00 42.43 N ATOM 361 CA THR A 25 -6.693 8.250 -10.549 1.00 15.40 C ATOM 362 C THR A 25 -7.796 7.827 -9.549 1.00 73.11 C ATOM 363 O THR A 25 -8.929 7.541 -9.954 1.00 62.01 O ATOM 364 CB THR A 25 -6.275 7.027 -11.430 1.00 54.11 C ATOM 365 OG1 THR A 25 -5.710 5.986 -10.614 1.00 10.24 O ATOM 366 CG2 THR A 25 -5.255 7.428 -12.513 1.00 42.15 C ATOM 0 H THR A 25 -4.850 8.127 -9.521 1.00 42.43 H new ATOM 0 HA THR A 25 -7.101 9.030 -11.192 1.00 15.40 H new ATOM 0 HB THR A 25 -7.178 6.662 -11.920 1.00 54.11 H new ATOM 0 HG1 THR A 25 -5.487 6.347 -9.731 1.00 10.24 H new ATOM 0 HG21 THR A 25 -4.989 6.552 -13.104 1.00 42.15 H new ATOM 0 HG22 THR A 25 -5.693 8.185 -13.163 1.00 42.15 H new ATOM 0 HG23 THR A 25 -4.360 7.831 -12.039 1.00 42.15 H new ATOM 374 N GLY A 26 -7.450 7.794 -8.246 1.00 52.30 N ATOM 375 CA GLY A 26 -8.408 7.488 -7.172 1.00 64.31 C ATOM 376 C GLY A 26 -7.928 8.014 -5.817 1.00 23.15 C ATOM 377 O GLY A 26 -6.739 7.922 -5.509 1.00 64.21 O ATOM 0 H GLY A 26 -6.504 7.978 -7.913 1.00 52.30 H new ATOM 0 HA2 GLY A 26 -9.376 7.929 -7.411 1.00 64.31 H new ATOM 0 HA3 GLY A 26 -8.555 6.410 -7.112 1.00 64.31 H new ATOM 381 N ALA A 27 -8.850 8.569 -5.005 1.00 63.14 N ATOM 382 CA ALA A 27 -8.520 9.169 -3.685 1.00 22.42 C ATOM 383 C ALA A 27 -9.345 8.513 -2.550 1.00 74.50 C ATOM 384 O ALA A 27 -10.580 8.514 -2.592 1.00 20.31 O ATOM 385 CB ALA A 27 -8.748 10.694 -3.727 1.00 52.12 C ATOM 0 H ALA A 27 -9.842 8.617 -5.239 1.00 63.14 H new ATOM 0 HA ALA A 27 -7.468 8.980 -3.473 1.00 22.42 H new ATOM 0 HB1 ALA A 27 -8.504 11.125 -2.756 1.00 52.12 H new ATOM 0 HB2 ALA A 27 -8.109 11.136 -4.492 1.00 52.12 H new ATOM 0 HB3 ALA A 27 -9.792 10.899 -3.963 1.00 52.12 H new ATOM 391 N TYR A 28 -8.648 7.942 -1.545 1.00 22.43 N ATOM 392 CA TYR A 28 -9.269 7.279 -0.364 1.00 1.30 C ATOM 393 C TYR A 28 -8.665 7.828 0.952 1.00 31.33 C ATOM 394 O TYR A 28 -7.464 7.754 1.161 1.00 54.30 O ATOM 395 CB TYR A 28 -9.061 5.730 -0.439 1.00 72.45 C ATOM 396 CG TYR A 28 -10.007 4.995 -1.411 1.00 25.14 C ATOM 397 CD1 TYR A 28 -9.856 5.093 -2.799 1.00 3.43 C ATOM 398 CD2 TYR A 28 -11.062 4.207 -0.934 1.00 74.01 C ATOM 399 CE1 TYR A 28 -10.713 4.440 -3.665 1.00 55.42 C ATOM 400 CE2 TYR A 28 -11.917 3.551 -1.799 1.00 12.43 C ATOM 401 CZ TYR A 28 -11.741 3.671 -3.162 1.00 52.30 C ATOM 402 OH TYR A 28 -12.607 3.028 -4.025 1.00 52.50 O ATOM 0 H TYR A 28 -7.628 7.925 -1.524 1.00 22.43 H new ATOM 0 HA TYR A 28 -10.337 7.496 -0.375 1.00 1.30 H new ATOM 0 HB2 TYR A 28 -8.031 5.530 -0.736 1.00 72.45 H new ATOM 0 HB3 TYR A 28 -9.192 5.312 0.559 1.00 72.45 H new ATOM 0 HD1 TYR A 28 -9.053 5.692 -3.202 1.00 3.43 H new ATOM 0 HD2 TYR A 28 -11.210 4.110 0.131 1.00 74.01 H new ATOM 0 HE1 TYR A 28 -10.578 4.532 -4.733 1.00 55.42 H new ATOM 0 HE2 TYR A 28 -12.722 2.945 -1.409 1.00 12.43 H new ATOM 0 HH TYR A 28 -13.273 2.528 -3.508 1.00 52.50 H new ATOM 412 N ASP A 29 -9.515 8.368 1.835 1.00 1.31 N ATOM 413 CA ASP A 29 -9.101 8.878 3.167 1.00 14.12 C ATOM 414 C ASP A 29 -9.516 7.871 4.277 1.00 4.31 C ATOM 415 O ASP A 29 -10.540 8.028 4.954 1.00 64.14 O ATOM 416 CB ASP A 29 -9.673 10.313 3.388 1.00 32.51 C ATOM 417 CG ASP A 29 -11.204 10.412 3.227 1.00 5.22 C ATOM 418 OD1 ASP A 29 -11.714 10.193 2.105 1.00 2.04 O ATOM 419 OD2 ASP A 29 -11.907 10.699 4.218 1.00 70.51 O ATOM 0 H ASP A 29 -10.514 8.468 1.654 1.00 1.31 H new ATOM 0 HA ASP A 29 -8.015 8.963 3.216 1.00 14.12 H new ATOM 0 HB2 ASP A 29 -9.401 10.651 4.388 1.00 32.51 H new ATOM 0 HB3 ASP A 29 -9.199 10.994 2.681 1.00 32.51 H new ATOM 424 N THR A 30 -8.706 6.805 4.428 1.00 35.32 N ATOM 425 CA THR A 30 -9.051 5.629 5.272 1.00 24.30 C ATOM 426 C THR A 30 -7.877 5.193 6.191 1.00 72.41 C ATOM 427 O THR A 30 -6.780 5.760 6.140 1.00 64.22 O ATOM 428 CB THR A 30 -9.504 4.428 4.365 1.00 43.13 C ATOM 429 OG1 THR A 30 -9.877 3.287 5.162 1.00 73.21 O ATOM 430 CG2 THR A 30 -8.411 4.021 3.356 1.00 63.20 C ATOM 0 H THR A 30 -7.796 6.728 3.973 1.00 35.32 H new ATOM 0 HA THR A 30 -9.873 5.928 5.922 1.00 24.30 H new ATOM 0 HB THR A 30 -10.373 4.772 3.804 1.00 43.13 H new ATOM 0 HG1 THR A 30 -10.156 2.554 4.574 1.00 73.21 H new ATOM 0 HG21 THR A 30 -8.767 3.188 2.750 1.00 63.20 H new ATOM 0 HG22 THR A 30 -8.180 4.867 2.709 1.00 63.20 H new ATOM 0 HG23 THR A 30 -7.512 3.720 3.895 1.00 63.20 H new ATOM 438 N THR A 31 -8.141 4.189 7.051 1.00 25.10 N ATOM 439 CA THR A 31 -7.151 3.636 8.001 1.00 73.34 C ATOM 440 C THR A 31 -6.163 2.681 7.279 1.00 4.35 C ATOM 441 O THR A 31 -6.575 1.649 6.731 1.00 53.42 O ATOM 442 CB THR A 31 -7.863 2.872 9.175 1.00 64.11 C ATOM 443 OG1 THR A 31 -8.808 3.748 9.821 1.00 53.21 O ATOM 444 CG2 THR A 31 -6.862 2.343 10.228 1.00 33.42 C ATOM 0 H THR A 31 -9.053 3.735 7.107 1.00 25.10 H new ATOM 0 HA THR A 31 -6.591 4.474 8.416 1.00 73.34 H new ATOM 0 HB THR A 31 -8.372 2.013 8.738 1.00 64.11 H new ATOM 0 HG1 THR A 31 -9.252 3.269 10.552 1.00 53.21 H new ATOM 0 HG21 THR A 31 -7.405 1.823 11.017 1.00 33.42 H new ATOM 0 HG22 THR A 31 -6.164 1.653 9.753 1.00 33.42 H new ATOM 0 HG23 THR A 31 -6.310 3.179 10.657 1.00 33.42 H new ATOM 452 N ALA A 32 -4.862 3.031 7.310 1.00 65.01 N ATOM 453 CA ALA A 32 -3.781 2.256 6.665 1.00 51.53 C ATOM 454 C ALA A 32 -2.934 1.518 7.734 1.00 24.42 C ATOM 455 O ALA A 32 -2.216 2.148 8.515 1.00 45.12 O ATOM 456 CB ALA A 32 -2.903 3.189 5.816 1.00 35.21 C ATOM 0 H ALA A 32 -4.528 3.868 7.788 1.00 65.01 H new ATOM 0 HA ALA A 32 -4.223 1.506 6.009 1.00 51.53 H new ATOM 0 HB1 ALA A 32 -2.109 2.611 5.344 1.00 35.21 H new ATOM 0 HB2 ALA A 32 -3.513 3.663 5.047 1.00 35.21 H new ATOM 0 HB3 ALA A 32 -2.464 3.956 6.454 1.00 35.21 H new ATOM 462 N TYR A 33 -3.030 0.184 7.753 1.00 63.12 N ATOM 463 CA TYR A 33 -2.337 -0.677 8.736 1.00 73.43 C ATOM 464 C TYR A 33 -0.915 -1.064 8.265 1.00 21.03 C ATOM 465 O TYR A 33 -0.625 -1.150 7.065 1.00 75.21 O ATOM 466 CB TYR A 33 -3.161 -1.973 8.992 1.00 63.03 C ATOM 467 CG TYR A 33 -4.574 -1.728 9.546 1.00 30.11 C ATOM 468 CD1 TYR A 33 -4.764 -1.313 10.868 1.00 71.34 C ATOM 469 CD2 TYR A 33 -5.718 -1.920 8.760 1.00 33.34 C ATOM 470 CE1 TYR A 33 -6.028 -1.105 11.379 1.00 72.45 C ATOM 471 CE2 TYR A 33 -6.986 -1.710 9.275 1.00 74.42 C ATOM 472 CZ TYR A 33 -7.135 -1.301 10.583 1.00 70.03 C ATOM 473 OH TYR A 33 -8.398 -1.093 11.104 1.00 74.33 O ATOM 0 H TYR A 33 -3.594 -0.339 7.083 1.00 63.12 H new ATOM 0 HA TYR A 33 -2.247 -0.103 9.658 1.00 73.43 H new ATOM 0 HB2 TYR A 33 -3.242 -2.528 8.058 1.00 63.03 H new ATOM 0 HB3 TYR A 33 -2.614 -2.605 9.692 1.00 63.03 H new ATOM 0 HD1 TYR A 33 -3.904 -1.152 11.501 1.00 71.34 H new ATOM 0 HD2 TYR A 33 -5.609 -2.238 7.734 1.00 33.34 H new ATOM 0 HE1 TYR A 33 -6.150 -0.788 12.404 1.00 72.45 H new ATOM 0 HE2 TYR A 33 -7.856 -1.866 8.654 1.00 74.42 H new ATOM 0 HH TYR A 33 -9.058 -1.576 10.564 1.00 74.33 H new ATOM 483 N VAL A 34 -0.032 -1.263 9.251 1.00 34.13 N ATOM 484 CA VAL A 34 1.313 -1.837 9.064 1.00 14.33 C ATOM 485 C VAL A 34 1.299 -3.276 9.631 1.00 32.32 C ATOM 486 O VAL A 34 1.010 -3.463 10.815 1.00 23.41 O ATOM 487 CB VAL A 34 2.408 -0.969 9.798 1.00 71.34 C ATOM 488 CG1 VAL A 34 3.831 -1.528 9.572 1.00 62.30 C ATOM 489 CG2 VAL A 34 2.316 0.520 9.368 1.00 52.43 C ATOM 0 H VAL A 34 -0.233 -1.026 10.222 1.00 34.13 H new ATOM 0 HA VAL A 34 1.565 -1.847 8.004 1.00 14.33 H new ATOM 0 HB VAL A 34 2.206 -1.026 10.868 1.00 71.34 H new ATOM 0 HG11 VAL A 34 4.555 -0.902 10.094 1.00 62.30 H new ATOM 0 HG12 VAL A 34 3.887 -2.546 9.957 1.00 62.30 H new ATOM 0 HG13 VAL A 34 4.056 -1.531 8.505 1.00 62.30 H new ATOM 0 HG21 VAL A 34 3.081 1.097 9.888 1.00 52.43 H new ATOM 0 HG22 VAL A 34 2.471 0.598 8.292 1.00 52.43 H new ATOM 0 HG23 VAL A 34 1.331 0.912 9.622 1.00 52.43 H new ATOM 499 N VAL A 35 1.560 -4.289 8.782 1.00 4.14 N ATOM 500 CA VAL A 35 1.495 -5.727 9.189 1.00 5.23 C ATOM 501 C VAL A 35 2.863 -6.439 9.067 1.00 64.41 C ATOM 502 O VAL A 35 3.812 -5.904 8.494 1.00 32.34 O ATOM 503 CB VAL A 35 0.419 -6.516 8.340 1.00 31.30 C ATOM 504 CG1 VAL A 35 -1.012 -5.992 8.624 1.00 20.52 C ATOM 505 CG2 VAL A 35 0.740 -6.464 6.818 1.00 72.24 C ATOM 0 H VAL A 35 1.819 -4.149 7.806 1.00 4.14 H new ATOM 0 HA VAL A 35 1.202 -5.730 10.239 1.00 5.23 H new ATOM 0 HB VAL A 35 0.463 -7.560 8.649 1.00 31.30 H new ATOM 0 HG11 VAL A 35 -1.730 -6.553 8.026 1.00 20.52 H new ATOM 0 HG12 VAL A 35 -1.243 -6.119 9.682 1.00 20.52 H new ATOM 0 HG13 VAL A 35 -1.071 -4.935 8.364 1.00 20.52 H new ATOM 0 HG21 VAL A 35 -0.021 -7.017 6.267 1.00 72.24 H new ATOM 0 HG22 VAL A 35 0.749 -5.427 6.483 1.00 72.24 H new ATOM 0 HG23 VAL A 35 1.717 -6.912 6.637 1.00 72.24 H new ATOM 515 N SER A 36 2.947 -7.651 9.642 1.00 61.13 N ATOM 516 CA SER A 36 4.103 -8.565 9.465 1.00 54.24 C ATOM 517 C SER A 36 3.592 -10.005 9.252 1.00 13.32 C ATOM 518 O SER A 36 2.703 -10.456 9.973 1.00 15.43 O ATOM 519 CB SER A 36 5.046 -8.514 10.687 1.00 2.21 C ATOM 520 OG SER A 36 4.439 -9.048 11.854 1.00 41.44 O ATOM 0 H SER A 36 2.217 -8.031 10.245 1.00 61.13 H new ATOM 0 HA SER A 36 4.668 -8.243 8.591 1.00 54.24 H new ATOM 0 HB2 SER A 36 5.956 -9.071 10.465 1.00 2.21 H new ATOM 0 HB3 SER A 36 5.342 -7.482 10.873 1.00 2.21 H new ATOM 0 HG SER A 36 5.069 -8.998 12.603 1.00 41.44 H new ATOM 526 N TYR A 37 4.157 -10.720 8.268 1.00 22.24 N ATOM 527 CA TYR A 37 3.697 -12.071 7.878 1.00 53.04 C ATOM 528 C TYR A 37 4.836 -12.918 7.288 1.00 15.13 C ATOM 529 O TYR A 37 5.833 -12.394 6.780 1.00 52.31 O ATOM 530 CB TYR A 37 2.526 -11.981 6.855 1.00 64.43 C ATOM 531 CG TYR A 37 2.832 -11.158 5.592 1.00 32.12 C ATOM 532 CD1 TYR A 37 2.622 -9.777 5.570 1.00 2.44 C ATOM 533 CD2 TYR A 37 3.339 -11.756 4.430 1.00 61.31 C ATOM 534 CE1 TYR A 37 2.899 -9.032 4.448 1.00 60.32 C ATOM 535 CE2 TYR A 37 3.619 -11.008 3.309 1.00 55.04 C ATOM 536 CZ TYR A 37 3.398 -9.647 3.323 1.00 63.43 C ATOM 537 OH TYR A 37 3.676 -8.899 2.205 1.00 24.44 O ATOM 0 H TYR A 37 4.946 -10.382 7.717 1.00 22.24 H new ATOM 0 HA TYR A 37 3.346 -12.562 8.786 1.00 53.04 H new ATOM 0 HB2 TYR A 37 2.247 -12.991 6.554 1.00 64.43 H new ATOM 0 HB3 TYR A 37 1.660 -11.546 7.354 1.00 64.43 H new ATOM 0 HD1 TYR A 37 2.235 -9.286 6.450 1.00 2.44 H new ATOM 0 HD2 TYR A 37 3.513 -12.822 4.414 1.00 61.31 H new ATOM 0 HE1 TYR A 37 2.725 -7.966 4.450 1.00 60.32 H new ATOM 0 HE2 TYR A 37 4.010 -11.485 2.422 1.00 55.04 H new ATOM 0 HH TYR A 37 2.925 -8.956 1.578 1.00 24.44 H new ATOM 547 N THR A 38 4.649 -14.240 7.347 1.00 12.42 N ATOM 548 CA THR A 38 5.521 -15.221 6.686 1.00 73.05 C ATOM 549 C THR A 38 4.821 -15.692 5.387 1.00 43.13 C ATOM 550 O THR A 38 3.769 -16.344 5.475 1.00 41.33 O ATOM 551 CB THR A 38 5.809 -16.446 7.625 1.00 54.12 C ATOM 552 OG1 THR A 38 6.334 -15.975 8.879 1.00 52.13 O ATOM 553 CG2 THR A 38 6.806 -17.445 6.996 1.00 41.14 C ATOM 0 H THR A 38 3.878 -14.666 7.861 1.00 12.42 H new ATOM 0 HA THR A 38 6.480 -14.757 6.453 1.00 73.05 H new ATOM 0 HB THR A 38 4.866 -16.972 7.777 1.00 54.12 H new ATOM 0 HG1 THR A 38 6.512 -16.739 9.466 1.00 52.13 H new ATOM 0 HG21 THR A 38 6.973 -18.274 7.683 1.00 41.14 H new ATOM 0 HG22 THR A 38 6.398 -17.826 6.060 1.00 41.14 H new ATOM 0 HG23 THR A 38 7.752 -16.940 6.800 1.00 41.14 H new ATOM 561 N PRO A 39 5.345 -15.331 4.163 1.00 54.51 N ATOM 562 CA PRO A 39 4.744 -15.762 2.865 1.00 1.15 C ATOM 563 C PRO A 39 4.613 -17.313 2.743 1.00 22.11 C ATOM 564 O PRO A 39 5.608 -18.040 2.854 1.00 74.32 O ATOM 565 CB PRO A 39 5.711 -15.175 1.801 1.00 42.24 C ATOM 566 CG PRO A 39 6.377 -14.026 2.498 1.00 21.21 C ATOM 567 CD PRO A 39 6.534 -14.465 3.939 1.00 32.45 C ATOM 0 HA PRO A 39 3.720 -15.406 2.750 1.00 1.15 H new ATOM 0 HB2 PRO A 39 6.439 -15.917 1.473 1.00 42.24 H new ATOM 0 HB3 PRO A 39 5.172 -14.843 0.914 1.00 42.24 H new ATOM 0 HG2 PRO A 39 7.344 -13.801 2.048 1.00 21.21 H new ATOM 0 HG3 PRO A 39 5.774 -13.121 2.427 1.00 21.21 H new ATOM 0 HD2 PRO A 39 7.465 -15.011 4.094 1.00 32.45 H new ATOM 0 HD3 PRO A 39 6.546 -13.614 4.620 1.00 32.45 H new ATOM 575 N THR A 40 3.366 -17.785 2.501 1.00 70.13 N ATOM 576 CA THR A 40 2.981 -19.232 2.525 1.00 32.13 C ATOM 577 C THR A 40 3.779 -20.127 1.541 1.00 2.21 C ATOM 578 O THR A 40 3.924 -21.331 1.780 1.00 64.14 O ATOM 579 CB THR A 40 1.456 -19.405 2.208 1.00 65.44 C ATOM 580 OG1 THR A 40 1.146 -18.790 0.942 1.00 21.34 O ATOM 581 CG2 THR A 40 0.565 -18.796 3.301 1.00 42.32 C ATOM 0 H THR A 40 2.583 -17.169 2.280 1.00 70.13 H new ATOM 0 HA THR A 40 3.220 -19.563 3.536 1.00 32.13 H new ATOM 0 HB THR A 40 1.252 -20.475 2.167 1.00 65.44 H new ATOM 0 HG1 THR A 40 1.237 -17.817 1.020 1.00 21.34 H new ATOM 0 HG21 THR A 40 -0.483 -18.940 3.038 1.00 42.32 H new ATOM 0 HG22 THR A 40 0.771 -19.286 4.253 1.00 42.32 H new ATOM 0 HG23 THR A 40 0.774 -17.730 3.389 1.00 42.32 H new ATOM 589 N ASN A 41 4.303 -19.534 0.460 1.00 43.14 N ATOM 590 CA ASN A 41 5.066 -20.266 -0.584 1.00 53.55 C ATOM 591 C ASN A 41 6.486 -20.703 -0.105 1.00 74.51 C ATOM 592 O ASN A 41 7.179 -21.448 -0.803 1.00 13.31 O ATOM 593 CB ASN A 41 5.188 -19.387 -1.859 1.00 73.21 C ATOM 594 CG ASN A 41 5.965 -18.078 -1.632 1.00 33.01 C ATOM 595 OD1 ASN A 41 5.909 -17.473 -0.564 1.00 64.44 O ATOM 596 ND2 ASN A 41 6.708 -17.641 -2.626 1.00 42.43 N ATOM 0 H ASN A 41 4.215 -18.535 0.276 1.00 43.14 H new ATOM 0 HA ASN A 41 4.510 -21.177 -0.805 1.00 53.55 H new ATOM 0 HB2 ASN A 41 5.683 -19.963 -2.641 1.00 73.21 H new ATOM 0 HB3 ASN A 41 4.189 -19.148 -2.223 1.00 73.21 H new ATOM 0 HD21 ASN A 41 7.252 -16.785 -2.518 1.00 42.43 H new ATOM 0 HD22 ASN A 41 6.740 -18.158 -3.504 1.00 42.43 H new ATOM 603 N GLY A 42 6.888 -20.265 1.099 1.00 30.21 N ATOM 604 CA GLY A 42 8.274 -20.415 1.573 1.00 24.34 C ATOM 605 C GLY A 42 9.130 -19.205 1.212 1.00 1.42 C ATOM 606 O GLY A 42 10.311 -19.338 0.869 1.00 14.02 O ATOM 0 H GLY A 42 6.270 -19.802 1.765 1.00 30.21 H new ATOM 0 HA2 GLY A 42 8.276 -20.552 2.654 1.00 24.34 H new ATOM 0 HA3 GLY A 42 8.712 -21.313 1.137 1.00 24.34 H new ATOM 610 N GLY A 43 8.517 -18.018 1.314 1.00 44.41 N ATOM 611 CA GLY A 43 9.170 -16.752 0.963 1.00 11.20 C ATOM 612 C GLY A 43 9.873 -16.107 2.156 1.00 1.42 C ATOM 613 O GLY A 43 9.546 -16.424 3.313 1.00 52.12 O ATOM 0 H GLY A 43 7.557 -17.910 1.641 1.00 44.41 H new ATOM 0 HA2 GLY A 43 9.896 -16.929 0.170 1.00 11.20 H new ATOM 0 HA3 GLY A 43 8.426 -16.061 0.566 1.00 11.20 H new ATOM 617 N GLN A 44 10.848 -15.207 1.880 1.00 72.24 N ATOM 618 CA GLN A 44 11.579 -14.455 2.929 1.00 65.43 C ATOM 619 C GLN A 44 10.596 -13.669 3.835 1.00 14.22 C ATOM 620 O GLN A 44 9.794 -12.874 3.332 1.00 12.21 O ATOM 621 CB GLN A 44 12.614 -13.482 2.292 1.00 64.11 C ATOM 622 CG GLN A 44 13.438 -12.669 3.314 1.00 25.44 C ATOM 623 CD GLN A 44 14.405 -11.668 2.677 1.00 63.34 C ATOM 624 OE1 GLN A 44 14.059 -10.511 2.440 1.00 5.24 O ATOM 625 NE2 GLN A 44 15.621 -12.098 2.395 1.00 32.44 N ATOM 0 H GLN A 44 11.148 -14.983 0.931 1.00 72.24 H new ATOM 0 HA GLN A 44 12.114 -15.178 3.545 1.00 65.43 H new ATOM 0 HB2 GLN A 44 13.298 -14.056 1.667 1.00 64.11 H new ATOM 0 HB3 GLN A 44 12.087 -12.790 1.635 1.00 64.11 H new ATOM 0 HG2 GLN A 44 12.755 -12.131 3.971 1.00 25.44 H new ATOM 0 HG3 GLN A 44 14.005 -13.359 3.940 1.00 25.44 H new ATOM 0 HE21 GLN A 44 15.882 -13.062 2.602 1.00 32.44 H new ATOM 0 HE22 GLN A 44 16.300 -11.466 1.970 1.00 32.44 H new ATOM 634 N ARG A 45 10.659 -13.938 5.156 1.00 43.11 N ATOM 635 CA ARG A 45 9.744 -13.358 6.168 1.00 42.24 C ATOM 636 C ARG A 45 9.718 -11.804 6.094 1.00 11.24 C ATOM 637 O ARG A 45 10.761 -11.144 6.183 1.00 23.42 O ATOM 638 CB ARG A 45 10.154 -13.854 7.596 1.00 64.35 C ATOM 639 CG ARG A 45 8.983 -14.059 8.592 1.00 14.04 C ATOM 640 CD ARG A 45 8.318 -12.767 9.089 1.00 35.51 C ATOM 641 NE ARG A 45 7.084 -13.064 9.833 1.00 51.12 N ATOM 642 CZ ARG A 45 6.477 -12.259 10.670 1.00 11.35 C ATOM 643 NH1 ARG A 45 6.992 -11.116 10.999 1.00 62.43 N ATOM 644 NH2 ARG A 45 5.363 -12.622 11.199 1.00 71.51 N ATOM 0 H ARG A 45 11.352 -14.570 5.556 1.00 43.11 H new ATOM 0 HA ARG A 45 8.731 -13.700 5.955 1.00 42.24 H new ATOM 0 HB2 ARG A 45 10.691 -14.797 7.494 1.00 64.35 H new ATOM 0 HB3 ARG A 45 10.852 -13.135 8.025 1.00 64.35 H new ATOM 0 HG2 ARG A 45 8.225 -14.679 8.115 1.00 14.04 H new ATOM 0 HG3 ARG A 45 9.353 -14.614 9.454 1.00 14.04 H new ATOM 0 HD2 ARG A 45 9.010 -12.220 9.729 1.00 35.51 H new ATOM 0 HD3 ARG A 45 8.090 -12.121 8.241 1.00 35.51 H new ATOM 0 HE ARG A 45 6.662 -13.981 9.684 1.00 51.12 H new ATOM 0 HH11 ARG A 45 7.887 -10.827 10.604 1.00 62.43 H new ATOM 0 HH12 ARG A 45 6.502 -10.505 11.652 1.00 62.43 H new ATOM 0 HH21 ARG A 45 4.960 -13.529 10.966 1.00 71.51 H new ATOM 0 HH22 ARG A 45 4.883 -12.003 11.852 1.00 71.51 H new ATOM 658 N VAL A 46 8.510 -11.247 5.922 1.00 14.14 N ATOM 659 CA VAL A 46 8.295 -9.799 5.717 1.00 50.52 C ATOM 660 C VAL A 46 7.757 -9.126 6.996 1.00 21.13 C ATOM 661 O VAL A 46 6.733 -9.538 7.541 1.00 44.54 O ATOM 662 CB VAL A 46 7.293 -9.554 4.526 1.00 12.21 C ATOM 663 CG1 VAL A 46 7.104 -8.044 4.228 1.00 63.42 C ATOM 664 CG2 VAL A 46 7.758 -10.310 3.262 1.00 14.05 C ATOM 0 H VAL A 46 7.646 -11.789 5.921 1.00 14.14 H new ATOM 0 HA VAL A 46 9.259 -9.354 5.473 1.00 50.52 H new ATOM 0 HB VAL A 46 6.322 -9.946 4.829 1.00 12.21 H new ATOM 0 HG11 VAL A 46 6.406 -7.921 3.400 1.00 63.42 H new ATOM 0 HG12 VAL A 46 6.709 -7.545 5.113 1.00 63.42 H new ATOM 0 HG13 VAL A 46 8.064 -7.603 3.961 1.00 63.42 H new ATOM 0 HG21 VAL A 46 7.054 -10.129 2.450 1.00 14.05 H new ATOM 0 HG22 VAL A 46 8.747 -9.957 2.970 1.00 14.05 H new ATOM 0 HG23 VAL A 46 7.802 -11.379 3.473 1.00 14.05 H new ATOM 674 N ASP A 47 8.462 -8.088 7.462 1.00 0.45 N ATOM 675 CA ASP A 47 8.035 -7.256 8.607 1.00 64.12 C ATOM 676 C ASP A 47 7.798 -5.793 8.172 1.00 42.20 C ATOM 677 O ASP A 47 8.470 -5.290 7.262 1.00 54.13 O ATOM 678 CB ASP A 47 9.086 -7.318 9.744 1.00 14.21 C ATOM 679 CG ASP A 47 9.096 -8.674 10.466 1.00 54.40 C ATOM 680 OD1 ASP A 47 9.604 -9.665 9.902 1.00 11.53 O ATOM 681 OD2 ASP A 47 8.578 -8.762 11.601 1.00 72.33 O ATOM 0 H ASP A 47 9.351 -7.795 7.057 1.00 0.45 H new ATOM 0 HA ASP A 47 7.092 -7.655 8.981 1.00 64.12 H new ATOM 0 HB2 ASP A 47 10.075 -7.124 9.330 1.00 14.21 H new ATOM 0 HB3 ASP A 47 8.882 -6.528 10.466 1.00 14.21 H new ATOM 686 N HIS A 48 6.844 -5.133 8.856 1.00 24.22 N ATOM 687 CA HIS A 48 6.476 -3.709 8.626 1.00 13.41 C ATOM 688 C HIS A 48 6.031 -3.425 7.162 1.00 30.52 C ATOM 689 O HIS A 48 6.302 -2.351 6.610 1.00 50.40 O ATOM 690 CB HIS A 48 7.628 -2.749 9.082 1.00 55.43 C ATOM 691 CG HIS A 48 7.890 -2.756 10.573 1.00 24.12 C ATOM 692 ND1 HIS A 48 8.213 -1.626 11.291 1.00 54.23 N ATOM 693 CD2 HIS A 48 7.862 -3.764 11.473 1.00 20.35 C ATOM 694 CE1 HIS A 48 8.377 -1.940 12.558 1.00 1.35 C ATOM 695 NE2 HIS A 48 8.171 -3.230 12.697 1.00 35.13 N ATOM 0 H HIS A 48 6.296 -5.573 9.595 1.00 24.22 H new ATOM 0 HA HIS A 48 5.603 -3.506 9.247 1.00 13.41 H new ATOM 0 HB2 HIS A 48 8.545 -3.028 8.562 1.00 55.43 H new ATOM 0 HB3 HIS A 48 7.383 -1.733 8.773 1.00 55.43 H new ATOM 0 HD2 HIS A 48 7.637 -4.800 11.266 1.00 20.35 H new ATOM 0 HE1 HIS A 48 8.637 -1.253 13.350 1.00 1.35 H new ATOM 0 HE2 HIS A 48 8.231 -3.749 13.573 1.00 35.13 H new ATOM 704 N HIS A 49 5.297 -4.386 6.571 1.00 13.44 N ATOM 705 CA HIS A 49 4.769 -4.277 5.192 1.00 53.21 C ATOM 706 C HIS A 49 3.656 -3.204 5.094 1.00 53.43 C ATOM 707 O HIS A 49 2.786 -3.108 5.976 1.00 1.05 O ATOM 708 CB HIS A 49 4.226 -5.647 4.713 1.00 54.32 C ATOM 709 CG HIS A 49 3.838 -5.678 3.250 1.00 72.14 C ATOM 710 ND1 HIS A 49 4.770 -5.931 2.274 1.00 4.22 N ATOM 711 CD2 HIS A 49 2.634 -5.460 2.657 1.00 63.14 C ATOM 712 CE1 HIS A 49 4.127 -5.863 1.124 1.00 14.21 C ATOM 713 NE2 HIS A 49 2.835 -5.581 1.307 1.00 34.55 N ATOM 0 H HIS A 49 5.051 -5.261 7.033 1.00 13.44 H new ATOM 0 HA HIS A 49 5.592 -3.971 4.546 1.00 53.21 H new ATOM 0 HB2 HIS A 49 4.983 -6.410 4.894 1.00 54.32 H new ATOM 0 HB3 HIS A 49 3.357 -5.912 5.315 1.00 54.32 H new ATOM 0 HD2 HIS A 49 1.701 -5.235 3.153 1.00 63.14 H new ATOM 0 HE1 HIS A 49 4.587 -6.016 0.159 1.00 14.21 H new ATOM 0 HE2 HIS A 49 2.129 -5.475 0.578 1.00 34.55 H new ATOM 721 N LYS A 50 3.695 -2.418 4.005 1.00 30.13 N ATOM 722 CA LYS A 50 2.751 -1.310 3.759 1.00 53.11 C ATOM 723 C LYS A 50 2.602 -1.027 2.225 1.00 32.43 C ATOM 724 O LYS A 50 3.515 -1.310 1.459 1.00 60.43 O ATOM 725 CB LYS A 50 3.248 -0.048 4.528 1.00 24.10 C ATOM 726 CG LYS A 50 4.703 0.378 4.211 1.00 42.33 C ATOM 727 CD LYS A 50 5.147 1.645 4.988 1.00 64.24 C ATOM 728 CE LYS A 50 5.070 1.473 6.518 1.00 42.05 C ATOM 729 NZ LYS A 50 5.964 0.393 7.007 1.00 65.42 N ATOM 0 H LYS A 50 4.387 -2.533 3.264 1.00 30.13 H new ATOM 0 HA LYS A 50 1.762 -1.584 4.125 1.00 53.11 H new ATOM 0 HB2 LYS A 50 2.583 0.785 4.299 1.00 24.10 H new ATOM 0 HB3 LYS A 50 3.165 -0.237 5.598 1.00 24.10 H new ATOM 0 HG2 LYS A 50 5.377 -0.444 4.452 1.00 42.33 H new ATOM 0 HG3 LYS A 50 4.796 0.563 3.141 1.00 42.33 H new ATOM 0 HD2 LYS A 50 6.170 1.896 4.707 1.00 64.24 H new ATOM 0 HD3 LYS A 50 4.519 2.485 4.691 1.00 64.24 H new ATOM 0 HE2 LYS A 50 5.339 2.412 7.001 1.00 42.05 H new ATOM 0 HE3 LYS A 50 4.043 1.250 6.806 1.00 42.05 H new ATOM 0 HZ1 LYS A 50 5.892 0.325 8.042 1.00 65.42 H new ATOM 0 HZ2 LYS A 50 5.681 -0.512 6.580 1.00 65.42 H new ATOM 0 HZ3 LYS A 50 6.946 0.609 6.742 1.00 65.42 H new ATOM 743 N TRP A 51 1.454 -0.476 1.749 1.00 42.13 N ATOM 744 CA TRP A 51 0.266 -0.113 2.566 1.00 34.11 C ATOM 745 C TRP A 51 -0.906 -1.095 2.338 1.00 40.12 C ATOM 746 O TRP A 51 -1.299 -1.370 1.199 1.00 3.34 O ATOM 747 CB TRP A 51 -0.185 1.340 2.250 1.00 54.44 C ATOM 748 CG TRP A 51 0.886 2.373 2.525 1.00 33.42 C ATOM 749 CD1 TRP A 51 1.775 2.897 1.629 1.00 22.32 C ATOM 750 CD2 TRP A 51 1.192 2.983 3.792 1.00 70.35 C ATOM 751 NE1 TRP A 51 2.602 3.786 2.258 1.00 62.14 N ATOM 752 CE2 TRP A 51 2.263 3.866 3.577 1.00 71.21 C ATOM 753 CE3 TRP A 51 0.652 2.877 5.081 1.00 42.34 C ATOM 754 CZ2 TRP A 51 2.817 4.630 4.603 1.00 44.21 C ATOM 755 CZ3 TRP A 51 1.199 3.634 6.099 1.00 2.31 C ATOM 756 CH2 TRP A 51 2.270 4.508 5.854 1.00 71.30 C ATOM 0 H TRP A 51 1.326 -0.266 0.759 1.00 42.13 H new ATOM 0 HA TRP A 51 0.556 -0.178 3.615 1.00 34.11 H new ATOM 0 HB2 TRP A 51 -0.479 1.402 1.202 1.00 54.44 H new ATOM 0 HB3 TRP A 51 -1.068 1.576 2.843 1.00 54.44 H new ATOM 0 HD1 TRP A 51 1.818 2.646 0.579 1.00 22.32 H new ATOM 0 HE1 TRP A 51 3.355 4.308 1.811 1.00 62.14 H new ATOM 0 HE3 TRP A 51 -0.178 2.214 5.275 1.00 42.34 H new ATOM 0 HZ2 TRP A 51 3.648 5.295 4.419 1.00 44.21 H new ATOM 0 HZ3 TRP A 51 0.797 3.552 7.098 1.00 2.31 H new ATOM 0 HH2 TRP A 51 2.671 5.096 6.667 1.00 71.30 H new ATOM 767 N VAL A 52 -1.443 -1.611 3.451 1.00 62.22 N ATOM 768 CA VAL A 52 -2.669 -2.434 3.484 1.00 53.11 C ATOM 769 C VAL A 52 -3.733 -1.669 4.306 1.00 52.24 C ATOM 770 O VAL A 52 -3.390 -0.988 5.272 1.00 11.42 O ATOM 771 CB VAL A 52 -2.404 -3.872 4.089 1.00 72.33 C ATOM 772 CG1 VAL A 52 -1.371 -4.660 3.241 1.00 1.42 C ATOM 773 CG2 VAL A 52 -1.962 -3.814 5.577 1.00 72.11 C ATOM 0 H VAL A 52 -1.033 -1.468 4.374 1.00 62.22 H new ATOM 0 HA VAL A 52 -3.023 -2.597 2.466 1.00 53.11 H new ATOM 0 HB VAL A 52 -3.355 -4.404 4.054 1.00 72.33 H new ATOM 0 HG11 VAL A 52 -1.211 -5.643 3.683 1.00 1.42 H new ATOM 0 HG12 VAL A 52 -1.747 -4.776 2.225 1.00 1.42 H new ATOM 0 HG13 VAL A 52 -0.427 -4.115 3.218 1.00 1.42 H new ATOM 0 HG21 VAL A 52 -1.793 -4.826 5.946 1.00 72.11 H new ATOM 0 HG22 VAL A 52 -1.040 -3.238 5.661 1.00 72.11 H new ATOM 0 HG23 VAL A 52 -2.743 -3.338 6.170 1.00 72.11 H new ATOM 783 N ILE A 53 -5.015 -1.726 3.905 1.00 74.52 N ATOM 784 CA ILE A 53 -6.094 -0.936 4.575 1.00 61.13 C ATOM 785 C ILE A 53 -7.250 -1.837 5.075 1.00 74.52 C ATOM 786 O ILE A 53 -7.217 -3.055 4.901 1.00 41.41 O ATOM 787 CB ILE A 53 -6.643 0.218 3.639 1.00 10.31 C ATOM 788 CG1 ILE A 53 -7.248 -0.355 2.318 1.00 62.41 C ATOM 789 CG2 ILE A 53 -5.535 1.268 3.337 1.00 73.12 C ATOM 790 CD1 ILE A 53 -7.833 0.695 1.381 1.00 53.02 C ATOM 0 H ILE A 53 -5.340 -2.302 3.128 1.00 74.52 H new ATOM 0 HA ILE A 53 -5.640 -0.470 5.450 1.00 61.13 H new ATOM 0 HB ILE A 53 -7.447 0.722 4.176 1.00 10.31 H new ATOM 0 HG12 ILE A 53 -6.471 -0.905 1.787 1.00 62.41 H new ATOM 0 HG13 ILE A 53 -8.029 -1.072 2.572 1.00 62.41 H new ATOM 0 HG21 ILE A 53 -5.939 2.049 2.693 1.00 73.12 H new ATOM 0 HG22 ILE A 53 -5.190 1.711 4.271 1.00 73.12 H new ATOM 0 HG23 ILE A 53 -4.699 0.781 2.836 1.00 73.12 H new ATOM 0 HD11 ILE A 53 -8.230 0.207 0.491 1.00 53.02 H new ATOM 0 HD12 ILE A 53 -8.635 1.230 1.890 1.00 53.02 H new ATOM 0 HD13 ILE A 53 -7.053 1.399 1.092 1.00 53.02 H new ATOM 802 N GLN A 54 -8.238 -1.215 5.751 1.00 30.02 N ATOM 803 CA GLN A 54 -9.418 -1.915 6.333 1.00 75.20 C ATOM 804 C GLN A 54 -10.150 -2.872 5.337 1.00 30.22 C ATOM 805 O GLN A 54 -10.371 -4.046 5.659 1.00 42.32 O ATOM 806 CB GLN A 54 -10.413 -0.865 6.914 1.00 63.30 C ATOM 807 CG GLN A 54 -11.683 -1.445 7.601 1.00 41.13 C ATOM 808 CD GLN A 54 -11.431 -2.185 8.932 1.00 32.51 C ATOM 809 OE1 GLN A 54 -10.379 -2.776 9.169 1.00 54.12 O ATOM 810 NE2 GLN A 54 -12.416 -2.186 9.807 1.00 41.32 N ATOM 0 H GLN A 54 -8.246 -0.208 5.913 1.00 30.02 H new ATOM 0 HA GLN A 54 -9.037 -2.558 7.126 1.00 75.20 H new ATOM 0 HB2 GLN A 54 -9.880 -0.249 7.638 1.00 63.30 H new ATOM 0 HB3 GLN A 54 -10.729 -0.205 6.106 1.00 63.30 H new ATOM 0 HG2 GLN A 54 -12.382 -0.629 7.784 1.00 41.13 H new ATOM 0 HG3 GLN A 54 -12.169 -2.132 6.908 1.00 41.13 H new ATOM 0 HE21 GLN A 54 -13.284 -1.692 9.599 1.00 41.32 H new ATOM 0 HE22 GLN A 54 -12.311 -2.681 10.693 1.00 41.32 H new ATOM 819 N GLU A 55 -10.493 -2.385 4.117 1.00 23.30 N ATOM 820 CA GLU A 55 -11.283 -3.181 3.123 1.00 34.12 C ATOM 821 C GLU A 55 -10.440 -4.285 2.427 1.00 2.51 C ATOM 822 O GLU A 55 -10.980 -5.115 1.685 1.00 13.04 O ATOM 823 CB GLU A 55 -11.961 -2.232 2.080 1.00 71.25 C ATOM 824 CG GLU A 55 -11.021 -1.290 1.274 1.00 43.34 C ATOM 825 CD GLU A 55 -10.307 -1.939 0.061 1.00 40.33 C ATOM 826 OE1 GLU A 55 -10.955 -2.113 -0.991 1.00 20.44 O ATOM 827 OE2 GLU A 55 -9.106 -2.286 0.162 1.00 10.10 O ATOM 0 H GLU A 55 -10.240 -1.452 3.793 1.00 23.30 H new ATOM 0 HA GLU A 55 -12.063 -3.704 3.676 1.00 34.12 H new ATOM 0 HB2 GLU A 55 -12.515 -2.847 1.371 1.00 71.25 H new ATOM 0 HB3 GLU A 55 -12.691 -1.616 2.605 1.00 71.25 H new ATOM 0 HG2 GLU A 55 -11.604 -0.441 0.918 1.00 43.34 H new ATOM 0 HG3 GLU A 55 -10.263 -0.895 1.951 1.00 43.34 H new ATOM 834 N GLU A 56 -9.122 -4.285 2.689 1.00 61.01 N ATOM 835 CA GLU A 56 -8.170 -5.284 2.147 1.00 33.35 C ATOM 836 C GLU A 56 -8.260 -6.594 2.956 1.00 54.30 C ATOM 837 O GLU A 56 -8.102 -7.688 2.410 1.00 24.24 O ATOM 838 CB GLU A 56 -6.729 -4.673 2.222 1.00 73.54 C ATOM 839 CG GLU A 56 -5.561 -5.498 1.613 1.00 54.21 C ATOM 840 CD GLU A 56 -5.046 -6.663 2.494 1.00 45.25 C ATOM 841 OE1 GLU A 56 -4.597 -6.395 3.623 1.00 5.14 O ATOM 842 OE2 GLU A 56 -5.099 -7.839 2.060 1.00 34.02 O ATOM 0 H GLU A 56 -8.678 -3.588 3.287 1.00 61.01 H new ATOM 0 HA GLU A 56 -8.412 -5.521 1.111 1.00 33.35 H new ATOM 0 HB2 GLU A 56 -6.750 -3.703 1.724 1.00 73.54 H new ATOM 0 HB3 GLU A 56 -6.497 -4.488 3.271 1.00 73.54 H new ATOM 0 HG2 GLU A 56 -5.885 -5.904 0.655 1.00 54.21 H new ATOM 0 HG3 GLU A 56 -4.729 -4.824 1.408 1.00 54.21 H new ATOM 849 N ILE A 57 -8.580 -6.457 4.248 1.00 0.43 N ATOM 850 CA ILE A 57 -8.507 -7.552 5.227 1.00 43.15 C ATOM 851 C ILE A 57 -9.891 -8.230 5.408 1.00 33.22 C ATOM 852 O ILE A 57 -10.910 -7.553 5.583 1.00 51.50 O ATOM 853 CB ILE A 57 -7.969 -7.000 6.602 1.00 44.11 C ATOM 854 CG1 ILE A 57 -6.550 -6.348 6.402 1.00 12.44 C ATOM 855 CG2 ILE A 57 -7.934 -8.107 7.684 1.00 71.32 C ATOM 856 CD1 ILE A 57 -5.939 -5.698 7.634 1.00 71.31 C ATOM 0 H ILE A 57 -8.900 -5.575 4.649 1.00 0.43 H new ATOM 0 HA ILE A 57 -7.816 -8.309 4.855 1.00 43.15 H new ATOM 0 HB ILE A 57 -8.656 -6.232 6.957 1.00 44.11 H new ATOM 0 HG12 ILE A 57 -5.866 -7.117 6.043 1.00 12.44 H new ATOM 0 HG13 ILE A 57 -6.624 -5.596 5.617 1.00 12.44 H new ATOM 0 HG21 ILE A 57 -7.558 -7.691 8.619 1.00 71.32 H new ATOM 0 HG22 ILE A 57 -8.940 -8.496 7.839 1.00 71.32 H new ATOM 0 HG23 ILE A 57 -7.279 -8.915 7.357 1.00 71.32 H new ATOM 0 HD11 ILE A 57 -4.964 -5.282 7.380 1.00 71.31 H new ATOM 0 HD12 ILE A 57 -6.593 -4.900 7.987 1.00 71.31 H new ATOM 0 HD13 ILE A 57 -5.822 -6.445 8.419 1.00 71.31 H new ATOM 868 N LYS A 58 -9.906 -9.574 5.339 1.00 13.23 N ATOM 869 CA LYS A 58 -11.113 -10.402 5.586 1.00 13.44 C ATOM 870 C LYS A 58 -11.616 -10.239 7.042 1.00 32.23 C ATOM 871 O LYS A 58 -12.804 -10.021 7.306 1.00 22.11 O ATOM 872 CB LYS A 58 -10.764 -11.892 5.319 1.00 41.10 C ATOM 873 CG LYS A 58 -11.896 -12.898 5.629 1.00 11.55 C ATOM 874 CD LYS A 58 -11.477 -14.370 5.379 1.00 24.25 C ATOM 875 CE LYS A 58 -10.266 -14.806 6.222 1.00 34.31 C ATOM 876 NZ LYS A 58 -10.510 -14.686 7.683 1.00 52.14 N ATOM 0 H LYS A 58 -9.079 -10.124 5.109 1.00 13.23 H new ATOM 0 HA LYS A 58 -11.907 -10.072 4.916 1.00 13.44 H new ATOM 0 HB2 LYS A 58 -10.480 -12.000 4.272 1.00 41.10 H new ATOM 0 HB3 LYS A 58 -9.891 -12.157 5.915 1.00 41.10 H new ATOM 0 HG2 LYS A 58 -12.203 -12.784 6.669 1.00 11.55 H new ATOM 0 HG3 LYS A 58 -12.764 -12.662 5.013 1.00 11.55 H new ATOM 0 HD2 LYS A 58 -12.320 -15.024 5.601 1.00 24.25 H new ATOM 0 HD3 LYS A 58 -11.242 -14.500 4.323 1.00 24.25 H new ATOM 0 HE2 LYS A 58 -10.016 -15.840 5.983 1.00 34.31 H new ATOM 0 HE3 LYS A 58 -9.402 -14.199 5.951 1.00 34.31 H new ATOM 0 HZ1 LYS A 58 -9.898 -13.943 8.077 1.00 52.14 H new ATOM 0 HZ2 LYS A 58 -11.506 -14.438 7.849 1.00 52.14 H new ATOM 0 HZ3 LYS A 58 -10.297 -15.592 8.146 1.00 52.14 H new ATOM 890 N ASP A 59 -10.662 -10.339 7.971 1.00 12.10 N ATOM 891 CA ASP A 59 -10.896 -10.315 9.428 1.00 74.10 C ATOM 892 C ASP A 59 -11.255 -8.908 9.975 1.00 3.10 C ATOM 893 O ASP A 59 -11.470 -8.767 11.187 1.00 53.21 O ATOM 894 CB ASP A 59 -9.647 -10.891 10.137 1.00 74.23 C ATOM 895 CG ASP A 59 -9.330 -12.326 9.684 1.00 34.11 C ATOM 896 OD1 ASP A 59 -8.850 -12.507 8.545 1.00 42.34 O ATOM 897 OD2 ASP A 59 -9.593 -13.280 10.448 1.00 73.42 O ATOM 0 H ASP A 59 -9.676 -10.442 7.730 1.00 12.10 H new ATOM 0 HA ASP A 59 -11.770 -10.932 9.638 1.00 74.10 H new ATOM 0 HB2 ASP A 59 -8.789 -10.250 9.934 1.00 74.23 H new ATOM 0 HB3 ASP A 59 -9.806 -10.879 11.215 1.00 74.23 H new ATOM 902 N ALA A 60 -11.256 -7.882 9.084 1.00 22.21 N ATOM 903 CA ALA A 60 -11.670 -6.487 9.401 1.00 32.33 C ATOM 904 C ALA A 60 -12.922 -6.401 10.315 1.00 62.12 C ATOM 905 O ALA A 60 -12.848 -5.845 11.414 1.00 44.30 O ATOM 906 CB ALA A 60 -11.920 -5.717 8.094 1.00 1.30 C ATOM 0 H ALA A 60 -10.966 -8.001 8.113 1.00 22.21 H new ATOM 0 HA ALA A 60 -10.852 -6.036 9.963 1.00 32.33 H new ATOM 0 HB1 ALA A 60 -12.223 -4.696 8.326 1.00 1.30 H new ATOM 0 HB2 ALA A 60 -11.005 -5.699 7.502 1.00 1.30 H new ATOM 0 HB3 ALA A 60 -12.709 -6.210 7.527 1.00 1.30 H new ATOM 912 N GLY A 61 -14.067 -6.943 9.844 1.00 21.50 N ATOM 913 CA GLY A 61 -15.290 -7.046 10.663 1.00 51.23 C ATOM 914 C GLY A 61 -15.943 -5.714 11.062 1.00 53.44 C ATOM 915 O GLY A 61 -16.733 -5.692 12.009 1.00 23.14 O ATOM 0 H GLY A 61 -14.167 -7.315 8.900 1.00 21.50 H new ATOM 0 HA2 GLY A 61 -16.023 -7.638 10.115 1.00 51.23 H new ATOM 0 HA3 GLY A 61 -15.050 -7.598 11.572 1.00 51.23 H new ATOM 919 N ASP A 62 -15.587 -4.612 10.358 1.00 13.52 N ATOM 920 CA ASP A 62 -16.038 -3.224 10.676 1.00 62.12 C ATOM 921 C ASP A 62 -15.518 -2.701 12.055 1.00 42.44 C ATOM 922 O ASP A 62 -15.980 -1.658 12.537 1.00 51.45 O ATOM 923 CB ASP A 62 -17.593 -3.087 10.561 1.00 34.11 C ATOM 924 CG ASP A 62 -18.108 -3.119 9.110 1.00 53.53 C ATOM 925 OD1 ASP A 62 -17.902 -4.140 8.411 1.00 62.22 O ATOM 926 OD2 ASP A 62 -18.705 -2.120 8.655 1.00 5.04 O ATOM 0 H ASP A 62 -14.973 -4.656 9.545 1.00 13.52 H new ATOM 0 HA ASP A 62 -15.583 -2.582 9.922 1.00 62.12 H new ATOM 0 HB2 ASP A 62 -18.063 -3.894 11.123 1.00 34.11 H new ATOM 0 HB3 ASP A 62 -17.903 -2.152 11.027 1.00 34.11 H new ATOM 931 N LYS A 63 -14.540 -3.407 12.661 1.00 64.45 N ATOM 932 CA LYS A 63 -13.889 -2.981 13.929 1.00 35.52 C ATOM 933 C LYS A 63 -12.457 -2.454 13.652 1.00 52.11 C ATOM 934 O LYS A 63 -11.840 -2.803 12.636 1.00 11.12 O ATOM 935 CB LYS A 63 -13.841 -4.161 14.943 1.00 74.52 C ATOM 936 CG LYS A 63 -12.966 -5.352 14.497 1.00 13.13 C ATOM 937 CD LYS A 63 -12.958 -6.524 15.501 1.00 74.42 C ATOM 938 CE LYS A 63 -12.139 -7.722 14.983 1.00 43.21 C ATOM 939 NZ LYS A 63 -12.647 -8.223 13.675 1.00 40.01 N ATOM 0 H LYS A 63 -14.177 -4.285 12.291 1.00 64.45 H new ATOM 0 HA LYS A 63 -14.480 -2.175 14.363 1.00 35.52 H new ATOM 0 HB2 LYS A 63 -13.467 -3.789 15.897 1.00 74.52 H new ATOM 0 HB3 LYS A 63 -14.857 -4.517 15.115 1.00 74.52 H new ATOM 0 HG2 LYS A 63 -13.323 -5.713 13.533 1.00 13.13 H new ATOM 0 HG3 LYS A 63 -11.943 -5.005 14.348 1.00 13.13 H new ATOM 0 HD2 LYS A 63 -12.544 -6.185 16.451 1.00 74.42 H new ATOM 0 HD3 LYS A 63 -13.982 -6.842 15.695 1.00 74.42 H new ATOM 0 HE2 LYS A 63 -11.095 -7.428 14.878 1.00 43.21 H new ATOM 0 HE3 LYS A 63 -12.171 -8.527 15.717 1.00 43.21 H new ATOM 0 HZ1 LYS A 63 -12.762 -9.256 13.720 1.00 40.01 H new ATOM 0 HZ2 LYS A 63 -13.565 -7.781 13.467 1.00 40.01 H new ATOM 0 HZ3 LYS A 63 -11.969 -7.983 12.924 1.00 40.01 H new ATOM 953 N THR A 64 -11.938 -1.623 14.570 1.00 32.50 N ATOM 954 CA THR A 64 -10.558 -1.085 14.486 1.00 71.35 C ATOM 955 C THR A 64 -9.530 -2.169 14.890 1.00 71.42 C ATOM 956 O THR A 64 -9.480 -2.580 16.059 1.00 20.54 O ATOM 957 CB THR A 64 -10.383 0.190 15.387 1.00 64.42 C ATOM 958 OG1 THR A 64 -11.316 1.209 14.970 1.00 43.12 O ATOM 959 CG2 THR A 64 -8.948 0.763 15.327 1.00 5.04 C ATOM 0 H THR A 64 -12.454 -1.303 15.389 1.00 32.50 H new ATOM 0 HA THR A 64 -10.379 -0.793 13.451 1.00 71.35 H new ATOM 0 HB THR A 64 -10.577 -0.113 16.416 1.00 64.42 H new ATOM 0 HG1 THR A 64 -11.207 2.003 15.534 1.00 43.12 H new ATOM 0 HG21 THR A 64 -8.880 1.643 15.967 1.00 5.04 H new ATOM 0 HG22 THR A 64 -8.240 0.009 15.671 1.00 5.04 H new ATOM 0 HG23 THR A 64 -8.710 1.042 14.300 1.00 5.04 H new ATOM 967 N LEU A 65 -8.744 -2.643 13.903 1.00 74.34 N ATOM 968 CA LEU A 65 -7.688 -3.655 14.120 1.00 52.54 C ATOM 969 C LEU A 65 -6.448 -3.016 14.802 1.00 21.01 C ATOM 970 O LEU A 65 -5.875 -2.042 14.312 1.00 61.45 O ATOM 971 CB LEU A 65 -7.314 -4.324 12.774 1.00 65.02 C ATOM 972 CG LEU A 65 -8.470 -5.099 12.056 1.00 71.14 C ATOM 973 CD1 LEU A 65 -8.021 -5.613 10.674 1.00 0.05 C ATOM 974 CD2 LEU A 65 -9.006 -6.262 12.936 1.00 4.12 C ATOM 0 H LEU A 65 -8.822 -2.336 12.933 1.00 74.34 H new ATOM 0 HA LEU A 65 -8.067 -4.427 14.790 1.00 52.54 H new ATOM 0 HB2 LEU A 65 -6.943 -3.554 12.098 1.00 65.02 H new ATOM 0 HB3 LEU A 65 -6.491 -5.017 12.950 1.00 65.02 H new ATOM 0 HG LEU A 65 -9.289 -4.396 11.903 1.00 71.14 H new ATOM 0 HD11 LEU A 65 -8.844 -6.147 10.199 1.00 0.05 H new ATOM 0 HD12 LEU A 65 -7.728 -4.769 10.050 1.00 0.05 H new ATOM 0 HD13 LEU A 65 -7.173 -6.287 10.794 1.00 0.05 H new ATOM 0 HD21 LEU A 65 -9.807 -6.779 12.408 1.00 4.12 H new ATOM 0 HD22 LEU A 65 -8.198 -6.963 13.144 1.00 4.12 H new ATOM 0 HD23 LEU A 65 -9.390 -5.861 13.874 1.00 4.12 H new ATOM 986 N GLN A 66 -6.053 -3.591 15.941 1.00 13.44 N ATOM 987 CA GLN A 66 -5.023 -3.030 16.847 1.00 50.14 C ATOM 988 C GLN A 66 -3.845 -4.023 17.011 1.00 50.24 C ATOM 989 O GLN A 66 -4.016 -5.215 16.729 1.00 55.21 O ATOM 990 CB GLN A 66 -5.689 -2.723 18.223 1.00 1.23 C ATOM 991 CG GLN A 66 -6.844 -1.697 18.142 1.00 2.03 C ATOM 992 CD GLN A 66 -7.605 -1.494 19.458 1.00 51.42 C ATOM 993 OE1 GLN A 66 -7.053 -1.613 20.549 1.00 40.52 O ATOM 994 NE2 GLN A 66 -8.886 -1.184 19.362 1.00 53.31 N ATOM 0 H GLN A 66 -6.441 -4.474 16.273 1.00 13.44 H new ATOM 0 HA GLN A 66 -4.618 -2.110 16.425 1.00 50.14 H new ATOM 0 HB2 GLN A 66 -6.070 -3.652 18.647 1.00 1.23 H new ATOM 0 HB3 GLN A 66 -4.929 -2.347 18.908 1.00 1.23 H new ATOM 0 HG2 GLN A 66 -6.440 -0.738 17.819 1.00 2.03 H new ATOM 0 HG3 GLN A 66 -7.548 -2.021 17.376 1.00 2.03 H new ATOM 0 HE21 GLN A 66 -9.321 -1.091 18.444 1.00 53.31 H new ATOM 0 HE22 GLN A 66 -9.440 -1.038 20.206 1.00 53.31 H new ATOM 1003 N PRO A 67 -2.610 -3.547 17.409 1.00 33.34 N ATOM 1004 CA PRO A 67 -1.477 -4.438 17.773 1.00 44.13 C ATOM 1005 C PRO A 67 -1.885 -5.677 18.634 1.00 52.42 C ATOM 1006 O PRO A 67 -2.381 -5.545 19.758 1.00 65.50 O ATOM 1007 CB PRO A 67 -0.538 -3.481 18.535 1.00 21.15 C ATOM 1008 CG PRO A 67 -0.716 -2.169 17.831 1.00 52.20 C ATOM 1009 CD PRO A 67 -2.192 -2.111 17.457 1.00 25.03 C ATOM 0 HA PRO A 67 -1.024 -4.905 16.898 1.00 44.13 H new ATOM 0 HB2 PRO A 67 -0.809 -3.410 19.588 1.00 21.15 H new ATOM 0 HB3 PRO A 67 0.497 -3.820 18.494 1.00 21.15 H new ATOM 0 HG2 PRO A 67 -0.441 -1.335 18.477 1.00 52.20 H new ATOM 0 HG3 PRO A 67 -0.083 -2.109 16.946 1.00 52.20 H new ATOM 0 HD2 PRO A 67 -2.769 -1.552 18.194 1.00 25.03 H new ATOM 0 HD3 PRO A 67 -2.341 -1.620 16.496 1.00 25.03 H new ATOM 1017 N GLY A 68 -1.679 -6.870 18.051 1.00 72.34 N ATOM 1018 CA GLY A 68 -2.083 -8.160 18.648 1.00 71.14 C ATOM 1019 C GLY A 68 -3.134 -8.916 17.820 1.00 24.53 C ATOM 1020 O GLY A 68 -3.440 -10.073 18.122 1.00 75.14 O ATOM 0 H GLY A 68 -1.223 -6.970 17.144 1.00 72.34 H new ATOM 0 HA2 GLY A 68 -1.201 -8.790 18.763 1.00 71.14 H new ATOM 0 HA3 GLY A 68 -2.480 -7.981 19.647 1.00 71.14 H new ATOM 1024 N ASP A 69 -3.706 -8.260 16.792 1.00 1.31 N ATOM 1025 CA ASP A 69 -4.676 -8.899 15.866 1.00 74.32 C ATOM 1026 C ASP A 69 -3.976 -9.673 14.715 1.00 43.31 C ATOM 1027 O ASP A 69 -3.467 -9.070 13.764 1.00 33.13 O ATOM 1028 CB ASP A 69 -5.672 -7.849 15.288 1.00 73.34 C ATOM 1029 CG ASP A 69 -6.786 -7.463 16.282 1.00 74.31 C ATOM 1030 OD1 ASP A 69 -7.708 -8.288 16.488 1.00 55.33 O ATOM 1031 OD2 ASP A 69 -6.752 -6.360 16.861 1.00 50.32 O ATOM 0 H ASP A 69 -3.515 -7.281 16.577 1.00 1.31 H new ATOM 0 HA ASP A 69 -5.235 -9.628 16.453 1.00 74.32 H new ATOM 0 HB2 ASP A 69 -5.121 -6.953 15.002 1.00 73.34 H new ATOM 0 HB3 ASP A 69 -6.125 -8.248 14.380 1.00 73.34 H new ATOM 1036 N GLN A 70 -3.928 -11.017 14.841 1.00 22.21 N ATOM 1037 CA GLN A 70 -3.609 -11.906 13.699 1.00 33.34 C ATOM 1038 C GLN A 70 -4.784 -11.896 12.682 1.00 60.54 C ATOM 1039 O GLN A 70 -5.919 -12.249 13.020 1.00 41.01 O ATOM 1040 CB GLN A 70 -3.317 -13.378 14.150 1.00 75.41 C ATOM 1041 CG GLN A 70 -1.977 -13.628 14.896 1.00 21.34 C ATOM 1042 CD GLN A 70 -1.994 -13.358 16.413 1.00 60.12 C ATOM 1043 OE1 GLN A 70 -2.735 -12.530 16.915 1.00 32.52 O ATOM 1044 NE2 GLN A 70 -1.177 -14.077 17.160 1.00 63.14 N ATOM 0 H GLN A 70 -4.105 -11.510 15.717 1.00 22.21 H new ATOM 0 HA GLN A 70 -2.702 -11.521 13.232 1.00 33.34 H new ATOM 0 HB2 GLN A 70 -4.132 -13.703 14.797 1.00 75.41 H new ATOM 0 HB3 GLN A 70 -3.338 -14.015 13.266 1.00 75.41 H new ATOM 0 HG2 GLN A 70 -1.680 -14.664 14.734 1.00 21.34 H new ATOM 0 HG3 GLN A 70 -1.208 -13.002 14.443 1.00 21.34 H new ATOM 0 HE21 GLN A 70 -0.563 -14.766 16.726 1.00 63.14 H new ATOM 0 HE22 GLN A 70 -1.160 -13.944 18.171 1.00 63.14 H new ATOM 1053 N VAL A 71 -4.495 -11.496 11.432 1.00 32.44 N ATOM 1054 CA VAL A 71 -5.489 -11.366 10.338 1.00 11.40 C ATOM 1055 C VAL A 71 -4.967 -12.053 9.047 1.00 61.12 C ATOM 1056 O VAL A 71 -3.771 -12.238 8.889 1.00 64.44 O ATOM 1057 CB VAL A 71 -5.796 -9.843 10.048 1.00 35.30 C ATOM 1058 CG1 VAL A 71 -6.443 -9.147 11.278 1.00 24.41 C ATOM 1059 CG2 VAL A 71 -4.517 -9.078 9.595 1.00 12.01 C ATOM 0 H VAL A 71 -3.549 -11.248 11.142 1.00 32.44 H new ATOM 0 HA VAL A 71 -6.409 -11.858 10.653 1.00 11.40 H new ATOM 0 HB VAL A 71 -6.514 -9.813 9.228 1.00 35.30 H new ATOM 0 HG11 VAL A 71 -6.640 -8.101 11.042 1.00 24.41 H new ATOM 0 HG12 VAL A 71 -7.380 -9.646 11.527 1.00 24.41 H new ATOM 0 HG13 VAL A 71 -5.763 -9.205 12.128 1.00 24.41 H new ATOM 0 HG21 VAL A 71 -4.766 -8.034 9.404 1.00 12.01 H new ATOM 0 HG22 VAL A 71 -3.763 -9.134 10.380 1.00 12.01 H new ATOM 0 HG23 VAL A 71 -4.126 -9.530 8.683 1.00 12.01 H new ATOM 1069 N ILE A 72 -5.873 -12.442 8.131 1.00 64.24 N ATOM 1070 CA ILE A 72 -5.494 -13.060 6.827 1.00 54.14 C ATOM 1071 C ILE A 72 -5.692 -12.042 5.670 1.00 11.13 C ATOM 1072 O ILE A 72 -6.711 -11.337 5.615 1.00 73.45 O ATOM 1073 CB ILE A 72 -6.329 -14.370 6.540 1.00 23.34 C ATOM 1074 CG1 ILE A 72 -6.251 -15.367 7.750 1.00 51.43 C ATOM 1075 CG2 ILE A 72 -5.873 -15.066 5.225 1.00 41.12 C ATOM 1076 CD1 ILE A 72 -4.856 -15.897 8.078 1.00 42.25 C ATOM 0 H ILE A 72 -6.880 -12.343 8.262 1.00 64.24 H new ATOM 0 HA ILE A 72 -4.442 -13.338 6.887 1.00 54.14 H new ATOM 0 HB ILE A 72 -7.368 -14.068 6.412 1.00 23.34 H new ATOM 0 HG12 ILE A 72 -6.648 -14.869 8.634 1.00 51.43 H new ATOM 0 HG13 ILE A 72 -6.903 -16.215 7.542 1.00 51.43 H new ATOM 0 HG21 ILE A 72 -6.471 -15.963 5.062 1.00 41.12 H new ATOM 0 HG22 ILE A 72 -6.007 -14.383 4.386 1.00 41.12 H new ATOM 0 HG23 ILE A 72 -4.821 -15.340 5.304 1.00 41.12 H new ATOM 0 HD11 ILE A 72 -4.915 -16.576 8.928 1.00 42.25 H new ATOM 0 HD12 ILE A 72 -4.457 -16.430 7.215 1.00 42.25 H new ATOM 0 HD13 ILE A 72 -4.199 -15.063 8.325 1.00 42.25 H new ATOM 1088 N LEU A 73 -4.710 -11.993 4.745 1.00 4.24 N ATOM 1089 CA LEU A 73 -4.678 -11.014 3.630 1.00 73.04 C ATOM 1090 C LEU A 73 -5.454 -11.520 2.376 1.00 45.40 C ATOM 1091 O LEU A 73 -5.209 -12.635 1.888 1.00 65.11 O ATOM 1092 CB LEU A 73 -3.202 -10.708 3.255 1.00 41.15 C ATOM 1093 CG LEU A 73 -2.296 -10.183 4.421 1.00 53.42 C ATOM 1094 CD1 LEU A 73 -0.853 -9.928 3.933 1.00 72.13 C ATOM 1095 CD2 LEU A 73 -2.896 -8.914 5.081 1.00 43.05 C ATOM 0 H LEU A 73 -3.914 -12.631 4.748 1.00 4.24 H new ATOM 0 HA LEU A 73 -5.175 -10.106 3.970 1.00 73.04 H new ATOM 0 HB2 LEU A 73 -2.754 -11.616 2.853 1.00 41.15 H new ATOM 0 HB3 LEU A 73 -3.196 -9.968 2.455 1.00 41.15 H new ATOM 0 HG LEU A 73 -2.259 -10.962 5.183 1.00 53.42 H new ATOM 0 HD11 LEU A 73 -0.247 -9.564 4.763 1.00 72.13 H new ATOM 0 HD12 LEU A 73 -0.428 -10.857 3.553 1.00 72.13 H new ATOM 0 HD13 LEU A 73 -0.864 -9.182 3.138 1.00 72.13 H new ATOM 0 HD21 LEU A 73 -2.241 -8.578 5.885 1.00 43.05 H new ATOM 0 HD22 LEU A 73 -2.989 -8.125 4.335 1.00 43.05 H new ATOM 0 HD23 LEU A 73 -3.880 -9.146 5.488 1.00 43.05 H new ATOM 1107 N GLU A 74 -6.380 -10.678 1.869 1.00 53.41 N ATOM 1108 CA GLU A 74 -7.185 -10.969 0.654 1.00 43.03 C ATOM 1109 C GLU A 74 -6.525 -10.408 -0.623 1.00 41.44 C ATOM 1110 O GLU A 74 -6.698 -10.965 -1.718 1.00 24.32 O ATOM 1111 CB GLU A 74 -8.625 -10.407 0.821 1.00 42.14 C ATOM 1112 CG GLU A 74 -9.449 -11.043 1.963 1.00 60.23 C ATOM 1113 CD GLU A 74 -9.946 -12.477 1.665 1.00 31.45 C ATOM 1114 OE1 GLU A 74 -9.111 -13.391 1.489 1.00 1.12 O ATOM 1115 OE2 GLU A 74 -11.177 -12.700 1.613 1.00 53.41 O ATOM 0 H GLU A 74 -6.594 -9.774 2.289 1.00 53.41 H new ATOM 0 HA GLU A 74 -7.236 -12.052 0.540 1.00 43.03 H new ATOM 0 HB2 GLU A 74 -8.561 -9.333 0.995 1.00 42.14 H new ATOM 0 HB3 GLU A 74 -9.164 -10.547 -0.116 1.00 42.14 H new ATOM 0 HG2 GLU A 74 -8.841 -11.062 2.867 1.00 60.23 H new ATOM 0 HG3 GLU A 74 -10.310 -10.408 2.171 1.00 60.23 H new ATOM 1122 N ALA A 75 -5.805 -9.292 -0.485 1.00 35.31 N ATOM 1123 CA ALA A 75 -4.940 -8.751 -1.554 1.00 62.15 C ATOM 1124 C ALA A 75 -3.494 -9.244 -1.371 1.00 41.41 C ATOM 1125 O ALA A 75 -3.092 -9.684 -0.281 1.00 11.25 O ATOM 1126 CB ALA A 75 -4.982 -7.215 -1.572 1.00 15.13 C ATOM 0 H ALA A 75 -5.800 -8.733 0.368 1.00 35.31 H new ATOM 0 HA ALA A 75 -5.317 -9.112 -2.511 1.00 62.15 H new ATOM 0 HB1 ALA A 75 -4.337 -6.843 -2.368 1.00 15.13 H new ATOM 0 HB2 ALA A 75 -6.005 -6.881 -1.748 1.00 15.13 H new ATOM 0 HB3 ALA A 75 -4.634 -6.830 -0.613 1.00 15.13 H new ATOM 1132 N SER A 76 -2.711 -9.164 -2.452 1.00 53.23 N ATOM 1133 CA SER A 76 -1.291 -9.546 -2.444 1.00 1.45 C ATOM 1134 C SER A 76 -0.488 -8.667 -3.418 1.00 60.23 C ATOM 1135 O SER A 76 -0.854 -8.522 -4.591 1.00 75.12 O ATOM 1136 CB SER A 76 -1.140 -11.037 -2.822 1.00 5.12 C ATOM 1137 OG SER A 76 -1.583 -11.303 -4.147 1.00 62.12 O ATOM 0 H SER A 76 -3.042 -8.833 -3.358 1.00 53.23 H new ATOM 0 HA SER A 76 -0.897 -9.394 -1.439 1.00 1.45 H new ATOM 0 HB2 SER A 76 -0.095 -11.331 -2.724 1.00 5.12 H new ATOM 0 HB3 SER A 76 -1.709 -11.647 -2.121 1.00 5.12 H new ATOM 0 HG SER A 76 -1.608 -10.467 -4.658 1.00 62.12 H new ATOM 1143 N HIS A 77 0.609 -8.080 -2.914 1.00 4.10 N ATOM 1144 CA HIS A 77 1.590 -7.327 -3.730 1.00 74.12 C ATOM 1145 C HIS A 77 2.696 -8.275 -4.284 1.00 11.11 C ATOM 1146 O HIS A 77 3.677 -7.823 -4.881 1.00 72.41 O ATOM 1147 CB HIS A 77 2.206 -6.195 -2.856 1.00 23.22 C ATOM 1148 CG HIS A 77 1.197 -5.247 -2.218 1.00 44.03 C ATOM 1149 ND1 HIS A 77 1.562 -4.427 -1.177 1.00 62.43 N ATOM 1150 CD2 HIS A 77 -0.123 -5.022 -2.502 1.00 63.20 C ATOM 1151 CE1 HIS A 77 0.487 -3.734 -0.854 1.00 11.25 C ATOM 1152 NE2 HIS A 77 -0.555 -4.059 -1.626 1.00 75.25 N ATOM 0 H HIS A 77 0.847 -8.112 -1.923 1.00 4.10 H new ATOM 0 HA HIS A 77 1.087 -6.884 -4.590 1.00 74.12 H new ATOM 0 HB2 HIS A 77 2.802 -6.651 -2.066 1.00 23.22 H new ATOM 0 HB3 HIS A 77 2.889 -5.612 -3.474 1.00 23.22 H new ATOM 0 HD2 HIS A 77 -0.710 -5.508 -3.267 1.00 63.20 H new ATOM 0 HE1 HIS A 77 0.453 -2.997 -0.065 1.00 11.25 H new ATOM 0 HE2 HIS A 77 -1.494 -3.665 -1.573 1.00 75.25 H new ATOM 1160 N MET A 78 2.503 -9.599 -4.062 1.00 53.33 N ATOM 1161 CA MET A 78 3.412 -10.690 -4.503 1.00 64.52 C ATOM 1162 C MET A 78 2.751 -12.070 -4.229 1.00 64.41 C ATOM 1163 O MET A 78 1.861 -12.177 -3.374 1.00 23.12 O ATOM 1164 CB MET A 78 4.781 -10.602 -3.773 1.00 35.13 C ATOM 1165 CG MET A 78 4.677 -10.607 -2.248 1.00 63.55 C ATOM 1166 SD MET A 78 6.285 -10.474 -1.451 1.00 5.21 S ATOM 1167 CE MET A 78 5.771 -10.258 0.247 1.00 33.35 C ATOM 0 H MET A 78 1.688 -9.948 -3.557 1.00 53.33 H new ATOM 0 HA MET A 78 3.589 -10.579 -5.573 1.00 64.52 H new ATOM 0 HB2 MET A 78 5.402 -11.441 -4.087 1.00 35.13 H new ATOM 0 HB3 MET A 78 5.291 -9.692 -4.089 1.00 35.13 H new ATOM 0 HG2 MET A 78 4.046 -9.779 -1.927 1.00 63.55 H new ATOM 0 HG3 MET A 78 4.188 -11.525 -1.923 1.00 63.55 H new ATOM 0 HE1 MET A 78 6.202 -9.339 0.643 1.00 33.35 H new ATOM 0 HE2 MET A 78 4.684 -10.198 0.293 1.00 33.35 H new ATOM 0 HE3 MET A 78 6.113 -11.105 0.841 1.00 33.35 H new ATOM 1177 N LYS A 79 3.195 -13.124 -4.941 1.00 32.32 N ATOM 1178 CA LYS A 79 2.630 -14.487 -4.775 1.00 1.13 C ATOM 1179 C LYS A 79 3.151 -15.151 -3.467 1.00 24.03 C ATOM 1180 O LYS A 79 4.350 -15.108 -3.176 1.00 1.41 O ATOM 1181 CB LYS A 79 2.944 -15.358 -6.020 1.00 34.02 C ATOM 1182 CG LYS A 79 2.200 -16.716 -6.051 1.00 52.42 C ATOM 1183 CD LYS A 79 2.416 -17.489 -7.371 1.00 45.34 C ATOM 1184 CE LYS A 79 1.601 -18.793 -7.439 1.00 22.10 C ATOM 1185 NZ LYS A 79 1.778 -19.501 -8.737 1.00 72.41 N ATOM 0 H LYS A 79 3.940 -13.063 -5.635 1.00 32.32 H new ATOM 0 HA LYS A 79 1.547 -14.404 -4.688 1.00 1.13 H new ATOM 0 HB2 LYS A 79 2.686 -14.795 -6.917 1.00 34.02 H new ATOM 0 HB3 LYS A 79 4.017 -15.544 -6.058 1.00 34.02 H new ATOM 0 HG2 LYS A 79 2.539 -17.330 -5.217 1.00 52.42 H new ATOM 0 HG3 LYS A 79 1.133 -16.544 -5.907 1.00 52.42 H new ATOM 0 HD2 LYS A 79 2.141 -16.850 -8.210 1.00 45.34 H new ATOM 0 HD3 LYS A 79 3.475 -17.722 -7.481 1.00 45.34 H new ATOM 0 HE2 LYS A 79 1.903 -19.451 -6.624 1.00 22.10 H new ATOM 0 HE3 LYS A 79 0.545 -18.567 -7.291 1.00 22.10 H new ATOM 0 HZ1 LYS A 79 1.211 -20.373 -8.737 1.00 72.41 H new ATOM 0 HZ2 LYS A 79 1.465 -18.885 -9.514 1.00 72.41 H new ATOM 0 HZ3 LYS A 79 2.781 -19.741 -8.868 1.00 72.41 H new ATOM 1199 N GLY A 80 2.227 -15.755 -2.686 1.00 42.03 N ATOM 1200 CA GLY A 80 2.539 -16.285 -1.338 1.00 64.15 C ATOM 1201 C GLY A 80 1.996 -15.388 -0.215 1.00 75.21 C ATOM 1202 O GLY A 80 1.688 -15.867 0.884 1.00 41.23 O ATOM 0 H GLY A 80 1.256 -15.888 -2.967 1.00 42.03 H new ATOM 0 HA2 GLY A 80 2.116 -17.285 -1.237 1.00 64.15 H new ATOM 0 HA3 GLY A 80 3.619 -16.383 -1.230 1.00 64.15 H new ATOM 1206 N MET A 81 1.895 -14.075 -0.503 1.00 23.24 N ATOM 1207 CA MET A 81 1.290 -13.067 0.407 1.00 41.34 C ATOM 1208 C MET A 81 -0.242 -13.284 0.549 1.00 64.14 C ATOM 1209 O MET A 81 -0.813 -13.096 1.632 1.00 3.53 O ATOM 1210 CB MET A 81 1.605 -11.643 -0.127 1.00 3.23 C ATOM 1211 CG MET A 81 0.941 -10.486 0.630 1.00 2.10 C ATOM 1212 SD MET A 81 1.402 -8.877 -0.053 1.00 15.30 S ATOM 1213 CE MET A 81 0.328 -7.771 0.867 1.00 53.40 C ATOM 0 H MET A 81 2.232 -13.676 -1.379 1.00 23.24 H new ATOM 0 HA MET A 81 1.723 -13.181 1.401 1.00 41.34 H new ATOM 0 HB2 MET A 81 2.685 -11.497 -0.102 1.00 3.23 H new ATOM 0 HB3 MET A 81 1.300 -11.591 -1.172 1.00 3.23 H new ATOM 0 HG2 MET A 81 -0.142 -10.600 0.589 1.00 2.10 H new ATOM 0 HG3 MET A 81 1.227 -10.529 1.681 1.00 2.10 H new ATOM 0 HE1 MET A 81 0.387 -6.769 0.441 1.00 53.40 H new ATOM 0 HE2 MET A 81 -0.700 -8.130 0.809 1.00 53.40 H new ATOM 0 HE3 MET A 81 0.644 -7.741 1.910 1.00 53.40 H new ATOM 1223 N LYS A 82 -0.898 -13.669 -0.563 1.00 4.10 N ATOM 1224 CA LYS A 82 -2.318 -14.081 -0.558 1.00 32.04 C ATOM 1225 C LYS A 82 -2.483 -15.384 0.262 1.00 32.44 C ATOM 1226 O LYS A 82 -1.862 -16.407 -0.056 1.00 65.20 O ATOM 1227 CB LYS A 82 -2.815 -14.274 -2.021 1.00 71.23 C ATOM 1228 CG LYS A 82 -4.250 -14.838 -2.181 1.00 45.13 C ATOM 1229 CD LYS A 82 -5.339 -13.974 -1.518 1.00 21.21 C ATOM 1230 CE LYS A 82 -6.743 -14.597 -1.672 1.00 60.34 C ATOM 1231 NZ LYS A 82 -7.803 -13.787 -1.016 1.00 72.31 N ATOM 0 H LYS A 82 -0.463 -13.704 -1.485 1.00 4.10 H new ATOM 0 HA LYS A 82 -2.923 -13.304 -0.090 1.00 32.04 H new ATOM 0 HB2 LYS A 82 -2.765 -13.312 -2.531 1.00 71.23 H new ATOM 0 HB3 LYS A 82 -2.124 -14.943 -2.534 1.00 71.23 H new ATOM 0 HG2 LYS A 82 -4.475 -14.936 -3.243 1.00 45.13 H new ATOM 0 HG3 LYS A 82 -4.285 -15.840 -1.754 1.00 45.13 H new ATOM 0 HD2 LYS A 82 -5.110 -13.852 -0.459 1.00 21.21 H new ATOM 0 HD3 LYS A 82 -5.333 -12.979 -1.962 1.00 21.21 H new ATOM 0 HE2 LYS A 82 -6.975 -14.703 -2.732 1.00 60.34 H new ATOM 0 HE3 LYS A 82 -6.740 -15.600 -1.245 1.00 60.34 H new ATOM 0 HZ1 LYS A 82 -8.731 -14.050 -1.404 1.00 72.31 H new ATOM 0 HZ2 LYS A 82 -7.793 -13.966 0.008 1.00 72.31 H new ATOM 0 HZ3 LYS A 82 -7.628 -12.777 -1.193 1.00 72.31 H new ATOM 1245 N GLY A 83 -3.284 -15.320 1.337 1.00 31.13 N ATOM 1246 CA GLY A 83 -3.509 -16.476 2.213 1.00 44.13 C ATOM 1247 C GLY A 83 -2.501 -16.569 3.364 1.00 64.10 C ATOM 1248 O GLY A 83 -2.539 -17.526 4.144 1.00 32.41 O ATOM 0 H GLY A 83 -3.786 -14.478 1.619 1.00 31.13 H new ATOM 0 HA2 GLY A 83 -4.517 -16.420 2.625 1.00 44.13 H new ATOM 0 HA3 GLY A 83 -3.457 -17.389 1.619 1.00 44.13 H new ATOM 1252 N ALA A 84 -1.594 -15.574 3.472 1.00 30.43 N ATOM 1253 CA ALA A 84 -0.578 -15.526 4.544 1.00 64.03 C ATOM 1254 C ALA A 84 -1.168 -14.967 5.855 1.00 51.20 C ATOM 1255 O ALA A 84 -2.015 -14.059 5.838 1.00 53.35 O ATOM 1256 CB ALA A 84 0.645 -14.702 4.099 1.00 10.51 C ATOM 0 H ALA A 84 -1.546 -14.788 2.824 1.00 30.43 H new ATOM 0 HA ALA A 84 -0.252 -16.548 4.738 1.00 64.03 H new ATOM 0 HB1 ALA A 84 1.381 -14.679 4.903 1.00 10.51 H new ATOM 0 HB2 ALA A 84 1.089 -15.158 3.214 1.00 10.51 H new ATOM 0 HB3 ALA A 84 0.332 -13.684 3.865 1.00 10.51 H new ATOM 1262 N THR A 85 -0.695 -15.516 6.988 1.00 53.51 N ATOM 1263 CA THR A 85 -1.090 -15.057 8.327 1.00 64.02 C ATOM 1264 C THR A 85 -0.276 -13.803 8.692 1.00 22.10 C ATOM 1265 O THR A 85 0.935 -13.880 8.920 1.00 63.20 O ATOM 1266 CB THR A 85 -0.882 -16.155 9.430 1.00 60.22 C ATOM 1267 OG1 THR A 85 -1.592 -17.354 9.066 1.00 61.02 O ATOM 1268 CG2 THR A 85 -1.369 -15.678 10.818 1.00 34.14 C ATOM 0 H THR A 85 -0.029 -16.289 6.999 1.00 53.51 H new ATOM 0 HA THR A 85 -2.156 -14.832 8.294 1.00 64.02 H new ATOM 0 HB THR A 85 0.188 -16.354 9.496 1.00 60.22 H new ATOM 0 HG1 THR A 85 -1.457 -18.036 9.757 1.00 61.02 H new ATOM 0 HG21 THR A 85 -1.207 -16.468 11.552 1.00 34.14 H new ATOM 0 HG22 THR A 85 -0.812 -14.789 11.113 1.00 34.14 H new ATOM 0 HG23 THR A 85 -2.432 -15.441 10.769 1.00 34.14 H new ATOM 1276 N ALA A 86 -0.964 -12.663 8.746 1.00 23.22 N ATOM 1277 CA ALA A 86 -0.381 -11.360 9.088 1.00 72.11 C ATOM 1278 C ALA A 86 -0.717 -11.031 10.549 1.00 32.04 C ATOM 1279 O ALA A 86 -1.626 -11.621 11.129 1.00 63.01 O ATOM 1280 CB ALA A 86 -0.916 -10.271 8.138 1.00 14.33 C ATOM 0 H ALA A 86 -1.964 -12.615 8.550 1.00 23.22 H new ATOM 0 HA ALA A 86 0.702 -11.398 8.973 1.00 72.11 H new ATOM 0 HB1 ALA A 86 -0.476 -9.309 8.402 1.00 14.33 H new ATOM 0 HB2 ALA A 86 -0.650 -10.522 7.111 1.00 14.33 H new ATOM 0 HB3 ALA A 86 -2.001 -10.211 8.228 1.00 14.33 H new ATOM 1286 N GLU A 87 0.046 -10.129 11.150 1.00 14.34 N ATOM 1287 CA GLU A 87 -0.221 -9.635 12.510 1.00 74.41 C ATOM 1288 C GLU A 87 -0.016 -8.109 12.512 1.00 44.41 C ATOM 1289 O GLU A 87 1.013 -7.625 12.017 1.00 21.35 O ATOM 1290 CB GLU A 87 0.716 -10.382 13.525 1.00 43.25 C ATOM 1291 CG GLU A 87 0.249 -10.409 15.007 1.00 41.21 C ATOM 1292 CD GLU A 87 0.495 -9.101 15.778 1.00 42.05 C ATOM 1293 OE1 GLU A 87 1.591 -8.940 16.358 1.00 2.11 O ATOM 1294 OE2 GLU A 87 -0.392 -8.230 15.796 1.00 4.04 O ATOM 0 H GLU A 87 0.870 -9.714 10.715 1.00 14.34 H new ATOM 0 HA GLU A 87 -1.246 -9.837 12.821 1.00 74.41 H new ATOM 0 HB2 GLU A 87 0.835 -11.411 13.186 1.00 43.25 H new ATOM 0 HB3 GLU A 87 1.701 -9.917 13.486 1.00 43.25 H new ATOM 0 HG2 GLU A 87 -0.816 -10.637 15.035 1.00 41.21 H new ATOM 0 HG3 GLU A 87 0.762 -11.221 15.522 1.00 41.21 H new ATOM 1301 N ILE A 88 -1.013 -7.364 13.039 1.00 33.03 N ATOM 1302 CA ILE A 88 -1.011 -5.884 13.049 1.00 5.31 C ATOM 1303 C ILE A 88 0.171 -5.351 13.900 1.00 24.22 C ATOM 1304 O ILE A 88 0.125 -5.352 15.132 1.00 61.33 O ATOM 1305 CB ILE A 88 -2.381 -5.298 13.582 1.00 42.21 C ATOM 1306 CG1 ILE A 88 -3.601 -5.865 12.776 1.00 12.11 C ATOM 1307 CG2 ILE A 88 -2.388 -3.741 13.565 1.00 15.31 C ATOM 1308 CD1 ILE A 88 -3.646 -5.487 11.296 1.00 45.34 C ATOM 0 H ILE A 88 -1.843 -7.772 13.470 1.00 33.03 H new ATOM 0 HA ILE A 88 -0.888 -5.549 12.019 1.00 5.31 H new ATOM 0 HB ILE A 88 -2.481 -5.620 14.618 1.00 42.21 H new ATOM 0 HG12 ILE A 88 -3.592 -6.952 12.855 1.00 12.11 H new ATOM 0 HG13 ILE A 88 -4.519 -5.518 13.250 1.00 12.11 H new ATOM 0 HG21 ILE A 88 -3.345 -3.377 13.938 1.00 15.31 H new ATOM 0 HG22 ILE A 88 -1.585 -3.367 14.200 1.00 15.31 H new ATOM 0 HG23 ILE A 88 -2.238 -3.388 12.545 1.00 15.31 H new ATOM 0 HD11 ILE A 88 -4.528 -5.930 10.834 1.00 45.34 H new ATOM 0 HD12 ILE A 88 -3.692 -4.402 11.199 1.00 45.34 H new ATOM 0 HD13 ILE A 88 -2.750 -5.859 10.798 1.00 45.34 H new ATOM 1320 N ASP A 89 1.239 -4.939 13.210 1.00 23.13 N ATOM 1321 CA ASP A 89 2.452 -4.371 13.828 1.00 44.01 C ATOM 1322 C ASP A 89 2.164 -2.957 14.389 1.00 72.12 C ATOM 1323 O ASP A 89 2.614 -2.598 15.483 1.00 51.31 O ATOM 1324 CB ASP A 89 3.575 -4.339 12.755 1.00 34.35 C ATOM 1325 CG ASP A 89 4.819 -3.554 13.186 1.00 43.44 C ATOM 1326 OD1 ASP A 89 5.580 -4.040 14.052 1.00 74.42 O ATOM 1327 OD2 ASP A 89 5.039 -2.436 12.669 1.00 62.53 O ATOM 0 H ASP A 89 1.291 -4.989 12.193 1.00 23.13 H new ATOM 0 HA ASP A 89 2.773 -4.988 14.668 1.00 44.01 H new ATOM 0 HB2 ASP A 89 3.867 -5.362 12.517 1.00 34.35 H new ATOM 0 HB3 ASP A 89 3.178 -3.899 11.840 1.00 34.35 H new ATOM 1332 N SER A 90 1.391 -2.182 13.620 1.00 15.22 N ATOM 1333 CA SER A 90 1.032 -0.784 13.950 1.00 42.10 C ATOM 1334 C SER A 90 -0.307 -0.409 13.280 1.00 33.32 C ATOM 1335 O SER A 90 -0.651 -0.948 12.219 1.00 42.24 O ATOM 1336 CB SER A 90 2.137 0.210 13.485 1.00 12.33 C ATOM 1337 OG SER A 90 3.391 -0.015 14.124 1.00 75.30 O ATOM 0 H SER A 90 0.989 -2.504 12.740 1.00 15.22 H new ATOM 0 HA SER A 90 0.936 -0.713 15.033 1.00 42.10 H new ATOM 0 HB2 SER A 90 2.265 0.125 12.406 1.00 12.33 H new ATOM 0 HB3 SER A 90 1.810 1.230 13.688 1.00 12.33 H new ATOM 0 HG SER A 90 3.877 -0.723 13.651 1.00 75.30 H new ATOM 1343 N ALA A 91 -1.051 0.520 13.900 1.00 63.42 N ATOM 1344 CA ALA A 91 -2.288 1.081 13.321 1.00 31.34 C ATOM 1345 C ALA A 91 -2.089 2.590 13.032 1.00 31.15 C ATOM 1346 O ALA A 91 -1.648 3.349 13.905 1.00 32.03 O ATOM 1347 CB ALA A 91 -3.477 0.849 14.275 1.00 41.22 C ATOM 0 H ALA A 91 -0.815 0.905 14.815 1.00 63.42 H new ATOM 0 HA ALA A 91 -2.510 0.575 12.381 1.00 31.34 H new ATOM 0 HB1 ALA A 91 -4.383 1.267 13.836 1.00 41.22 H new ATOM 0 HB2 ALA A 91 -3.612 -0.221 14.435 1.00 41.22 H new ATOM 0 HB3 ALA A 91 -3.278 1.336 15.230 1.00 41.22 H new ATOM 1353 N GLU A 92 -2.429 3.009 11.805 1.00 40.24 N ATOM 1354 CA GLU A 92 -2.321 4.415 11.358 1.00 22.32 C ATOM 1355 C GLU A 92 -3.538 4.773 10.487 1.00 53.10 C ATOM 1356 O GLU A 92 -4.120 3.909 9.849 1.00 31.22 O ATOM 1357 CB GLU A 92 -0.990 4.627 10.567 1.00 72.42 C ATOM 1358 CG GLU A 92 -0.710 6.078 10.103 1.00 10.15 C ATOM 1359 CD GLU A 92 -0.641 7.099 11.259 1.00 43.35 C ATOM 1360 OE1 GLU A 92 0.427 7.226 11.898 1.00 42.20 O ATOM 1361 OE2 GLU A 92 -1.664 7.768 11.549 1.00 65.03 O ATOM 0 H GLU A 92 -2.790 2.382 11.086 1.00 40.24 H new ATOM 0 HA GLU A 92 -2.307 5.072 12.227 1.00 22.32 H new ATOM 0 HB2 GLU A 92 -0.160 4.298 11.193 1.00 72.42 H new ATOM 0 HB3 GLU A 92 -1.003 3.980 9.690 1.00 72.42 H new ATOM 0 HG2 GLU A 92 0.232 6.099 9.555 1.00 10.15 H new ATOM 0 HG3 GLU A 92 -1.491 6.384 9.406 1.00 10.15 H new ATOM 1368 N LYS A 93 -3.926 6.052 10.472 1.00 33.12 N ATOM 1369 CA LYS A 93 -5.035 6.554 9.641 1.00 12.44 C ATOM 1370 C LYS A 93 -4.523 7.719 8.761 1.00 34.13 C ATOM 1371 O LYS A 93 -4.437 8.875 9.189 1.00 31.54 O ATOM 1372 CB LYS A 93 -6.279 6.935 10.518 1.00 70.13 C ATOM 1373 CG LYS A 93 -6.083 8.006 11.637 1.00 70.02 C ATOM 1374 CD LYS A 93 -5.184 7.562 12.828 1.00 23.12 C ATOM 1375 CE LYS A 93 -5.706 6.305 13.552 1.00 11.35 C ATOM 1376 NZ LYS A 93 -7.092 6.480 14.067 1.00 73.35 N ATOM 0 H LYS A 93 -3.480 6.775 11.037 1.00 33.12 H new ATOM 0 HA LYS A 93 -5.385 5.766 8.974 1.00 12.44 H new ATOM 0 HB2 LYS A 93 -7.064 7.289 9.850 1.00 70.13 H new ATOM 0 HB3 LYS A 93 -6.648 6.024 10.988 1.00 70.13 H new ATOM 0 HG2 LYS A 93 -5.650 8.901 11.190 1.00 70.02 H new ATOM 0 HG3 LYS A 93 -7.062 8.286 12.026 1.00 70.02 H new ATOM 0 HD2 LYS A 93 -4.176 7.369 12.461 1.00 23.12 H new ATOM 0 HD3 LYS A 93 -5.111 8.381 13.544 1.00 23.12 H new ATOM 0 HE2 LYS A 93 -5.680 5.458 12.867 1.00 11.35 H new ATOM 0 HE3 LYS A 93 -5.041 6.064 14.381 1.00 11.35 H new ATOM 0 HZ1 LYS A 93 -7.385 5.621 14.575 1.00 73.35 H new ATOM 0 HZ2 LYS A 93 -7.121 7.292 14.716 1.00 73.35 H new ATOM 0 HZ3 LYS A 93 -7.739 6.649 13.271 1.00 73.35 H new ATOM 1390 N THR A 94 -4.140 7.376 7.523 1.00 52.54 N ATOM 1391 CA THR A 94 -3.510 8.317 6.563 1.00 44.01 C ATOM 1392 C THR A 94 -4.143 8.169 5.166 1.00 33.12 C ATOM 1393 O THR A 94 -4.610 7.082 4.801 1.00 53.00 O ATOM 1394 CB THR A 94 -1.955 8.099 6.484 1.00 52.13 C ATOM 1395 OG1 THR A 94 -1.377 8.952 5.480 1.00 10.24 O ATOM 1396 CG2 THR A 94 -1.575 6.630 6.200 1.00 51.31 C ATOM 0 H THR A 94 -4.256 6.434 7.149 1.00 52.54 H new ATOM 0 HA THR A 94 -3.689 9.329 6.925 1.00 44.01 H new ATOM 0 HB THR A 94 -1.553 8.358 7.464 1.00 52.13 H new ATOM 0 HG1 THR A 94 -0.539 9.332 5.817 1.00 10.24 H new ATOM 0 HG21 THR A 94 -0.490 6.537 6.156 1.00 51.31 H new ATOM 0 HG22 THR A 94 -1.962 5.994 6.996 1.00 51.31 H new ATOM 0 HG23 THR A 94 -2.005 6.321 5.247 1.00 51.31 H new ATOM 1404 N THR A 95 -4.136 9.258 4.373 1.00 54.12 N ATOM 1405 CA THR A 95 -4.830 9.298 3.068 1.00 3.33 C ATOM 1406 C THR A 95 -3.997 8.563 1.986 1.00 50.05 C ATOM 1407 O THR A 95 -2.842 8.918 1.736 1.00 13.40 O ATOM 1408 CB THR A 95 -5.107 10.775 2.624 1.00 74.24 C ATOM 1409 OG1 THR A 95 -5.745 11.486 3.701 1.00 63.11 O ATOM 1410 CG2 THR A 95 -6.013 10.855 1.377 1.00 72.14 C ATOM 0 H THR A 95 -3.656 10.125 4.613 1.00 54.12 H new ATOM 0 HA THR A 95 -5.787 8.789 3.182 1.00 3.33 H new ATOM 0 HB THR A 95 -4.145 11.222 2.372 1.00 74.24 H new ATOM 0 HG1 THR A 95 -5.917 12.411 3.426 1.00 63.11 H new ATOM 0 HG21 THR A 95 -6.174 11.900 1.111 1.00 72.14 H new ATOM 0 HG22 THR A 95 -5.534 10.338 0.545 1.00 72.14 H new ATOM 0 HG23 THR A 95 -6.972 10.384 1.593 1.00 72.14 H new ATOM 1418 N VAL A 96 -4.610 7.561 1.336 1.00 31.32 N ATOM 1419 CA VAL A 96 -3.942 6.669 0.367 1.00 2.00 C ATOM 1420 C VAL A 96 -4.601 6.811 -1.030 1.00 60.13 C ATOM 1421 O VAL A 96 -5.824 6.930 -1.150 1.00 24.21 O ATOM 1422 CB VAL A 96 -3.970 5.166 0.844 1.00 20.14 C ATOM 1423 CG1 VAL A 96 -3.034 4.943 2.059 1.00 34.23 C ATOM 1424 CG2 VAL A 96 -5.414 4.694 1.164 1.00 43.23 C ATOM 0 H VAL A 96 -5.597 7.342 1.469 1.00 31.32 H new ATOM 0 HA VAL A 96 -2.897 6.970 0.299 1.00 2.00 H new ATOM 0 HB VAL A 96 -3.599 4.559 0.018 1.00 20.14 H new ATOM 0 HG11 VAL A 96 -3.076 3.897 2.364 1.00 34.23 H new ATOM 0 HG12 VAL A 96 -2.011 5.200 1.782 1.00 34.23 H new ATOM 0 HG13 VAL A 96 -3.355 5.575 2.887 1.00 34.23 H new ATOM 0 HG21 VAL A 96 -5.393 3.654 1.489 1.00 43.23 H new ATOM 0 HG22 VAL A 96 -5.832 5.314 1.957 1.00 43.23 H new ATOM 0 HG23 VAL A 96 -6.032 4.782 0.271 1.00 43.23 H new ATOM 1434 N TYR A 97 -3.775 6.806 -2.081 1.00 4.42 N ATOM 1435 CA TYR A 97 -4.207 7.091 -3.464 1.00 0.13 C ATOM 1436 C TYR A 97 -3.876 5.926 -4.410 1.00 13.50 C ATOM 1437 O TYR A 97 -2.865 5.230 -4.238 1.00 64.52 O ATOM 1438 CB TYR A 97 -3.503 8.370 -3.997 1.00 25.13 C ATOM 1439 CG TYR A 97 -3.702 9.616 -3.115 1.00 71.42 C ATOM 1440 CD1 TYR A 97 -4.855 10.399 -3.214 1.00 1.01 C ATOM 1441 CD2 TYR A 97 -2.741 9.989 -2.172 1.00 61.11 C ATOM 1442 CE1 TYR A 97 -5.031 11.512 -2.423 1.00 23.20 C ATOM 1443 CE2 TYR A 97 -2.917 11.102 -1.381 1.00 31.25 C ATOM 1444 CZ TYR A 97 -4.062 11.857 -1.503 1.00 40.52 C ATOM 1445 OH TYR A 97 -4.232 12.983 -0.716 1.00 32.01 O ATOM 0 H TYR A 97 -2.779 6.603 -2.001 1.00 4.42 H new ATOM 0 HA TYR A 97 -5.287 7.235 -3.439 1.00 0.13 H new ATOM 0 HB2 TYR A 97 -2.435 8.171 -4.089 1.00 25.13 H new ATOM 0 HB3 TYR A 97 -3.875 8.585 -4.999 1.00 25.13 H new ATOM 0 HD1 TYR A 97 -5.622 10.126 -3.924 1.00 1.01 H new ATOM 0 HD2 TYR A 97 -1.846 9.395 -2.062 1.00 61.11 H new ATOM 0 HE1 TYR A 97 -5.923 12.112 -2.522 1.00 23.20 H new ATOM 0 HE2 TYR A 97 -2.158 11.383 -0.666 1.00 31.25 H new ATOM 0 HH TYR A 97 -4.077 12.752 0.224 1.00 32.01 H new ATOM 1455 N MET A 98 -4.754 5.718 -5.395 1.00 34.52 N ATOM 1456 CA MET A 98 -4.451 4.913 -6.578 1.00 31.25 C ATOM 1457 C MET A 98 -3.860 5.849 -7.652 1.00 53.21 C ATOM 1458 O MET A 98 -4.504 6.834 -8.033 1.00 62.43 O ATOM 1459 CB MET A 98 -5.733 4.219 -7.102 1.00 62.21 C ATOM 1460 CG MET A 98 -5.526 3.404 -8.388 1.00 25.44 C ATOM 1461 SD MET A 98 -7.023 2.556 -8.948 1.00 3.21 S ATOM 1462 CE MET A 98 -8.186 3.908 -9.146 1.00 41.20 C ATOM 0 H MET A 98 -5.698 6.105 -5.393 1.00 34.52 H new ATOM 0 HA MET A 98 -3.733 4.131 -6.329 1.00 31.25 H new ATOM 0 HB2 MET A 98 -6.119 3.559 -6.325 1.00 62.21 H new ATOM 0 HB3 MET A 98 -6.495 4.977 -7.284 1.00 62.21 H new ATOM 0 HG2 MET A 98 -5.176 4.068 -9.178 1.00 25.44 H new ATOM 0 HG3 MET A 98 -4.741 2.667 -8.220 1.00 25.44 H new ATOM 0 HE1 MET A 98 -8.887 3.671 -9.946 1.00 41.20 H new ATOM 0 HE2 MET A 98 -8.734 4.056 -8.216 1.00 41.20 H new ATOM 0 HE3 MET A 98 -7.644 4.820 -9.396 1.00 41.20 H new ATOM 1472 N VAL A 99 -2.627 5.561 -8.108 1.00 23.12 N ATOM 1473 CA VAL A 99 -1.919 6.405 -9.107 1.00 74.12 C ATOM 1474 C VAL A 99 -1.553 5.618 -10.390 1.00 14.01 C ATOM 1475 O VAL A 99 -1.407 4.390 -10.375 1.00 4.40 O ATOM 1476 CB VAL A 99 -0.622 7.084 -8.501 1.00 74.43 C ATOM 1477 CG1 VAL A 99 -0.991 8.123 -7.405 1.00 23.33 C ATOM 1478 CG2 VAL A 99 0.378 6.027 -7.956 1.00 42.44 C ATOM 0 H VAL A 99 -2.093 4.748 -7.803 1.00 23.12 H new ATOM 0 HA VAL A 99 -2.622 7.191 -9.382 1.00 74.12 H new ATOM 0 HB VAL A 99 -0.125 7.615 -9.313 1.00 74.43 H new ATOM 0 HG11 VAL A 99 -0.081 8.572 -7.008 1.00 23.33 H new ATOM 0 HG12 VAL A 99 -1.620 8.901 -7.838 1.00 23.33 H new ATOM 0 HG13 VAL A 99 -1.531 7.626 -6.599 1.00 23.33 H new ATOM 0 HG21 VAL A 99 1.254 6.531 -7.549 1.00 42.44 H new ATOM 0 HG22 VAL A 99 -0.102 5.443 -7.171 1.00 42.44 H new ATOM 0 HG23 VAL A 99 0.684 5.364 -8.766 1.00 42.44 H new ATOM 1488 N ASP A 100 -1.434 6.360 -11.502 1.00 2.25 N ATOM 1489 CA ASP A 100 -0.970 5.854 -12.806 1.00 40.01 C ATOM 1490 C ASP A 100 0.327 6.615 -13.173 1.00 51.41 C ATOM 1491 O ASP A 100 0.321 7.851 -13.235 1.00 11.33 O ATOM 1492 CB ASP A 100 -2.083 6.097 -13.860 1.00 50.34 C ATOM 1493 CG ASP A 100 -1.777 5.512 -15.251 1.00 11.31 C ATOM 1494 OD1 ASP A 100 -1.127 6.196 -16.071 1.00 22.44 O ATOM 1495 OD2 ASP A 100 -2.198 4.368 -15.535 1.00 14.04 O ATOM 0 H ASP A 100 -1.663 7.354 -11.521 1.00 2.25 H new ATOM 0 HA ASP A 100 -0.761 4.785 -12.772 1.00 40.01 H new ATOM 0 HB2 ASP A 100 -3.014 5.665 -13.494 1.00 50.34 H new ATOM 0 HB3 ASP A 100 -2.246 7.170 -13.958 1.00 50.34 H new ATOM 1500 N TYR A 101 1.432 5.887 -13.398 1.00 24.31 N ATOM 1501 CA TYR A 101 2.766 6.496 -13.636 1.00 43.24 C ATOM 1502 C TYR A 101 3.626 5.632 -14.575 1.00 63.42 C ATOM 1503 O TYR A 101 3.210 4.558 -15.011 1.00 61.05 O ATOM 1504 CB TYR A 101 3.508 6.721 -12.283 1.00 53.53 C ATOM 1505 CG TYR A 101 3.813 5.438 -11.489 1.00 52.31 C ATOM 1506 CD1 TYR A 101 2.892 4.915 -10.582 1.00 32.33 C ATOM 1507 CD2 TYR A 101 5.025 4.753 -11.644 1.00 3.51 C ATOM 1508 CE1 TYR A 101 3.163 3.768 -9.871 1.00 21.54 C ATOM 1509 CE2 TYR A 101 5.295 3.606 -10.934 1.00 73.23 C ATOM 1510 CZ TYR A 101 4.362 3.114 -10.045 1.00 72.51 C ATOM 1511 OH TYR A 101 4.618 1.957 -9.338 1.00 24.51 O ATOM 0 H TYR A 101 1.435 4.867 -13.422 1.00 24.31 H new ATOM 0 HA TYR A 101 2.607 7.459 -14.122 1.00 43.24 H new ATOM 0 HB2 TYR A 101 4.446 7.239 -12.482 1.00 53.53 H new ATOM 0 HB3 TYR A 101 2.905 7.381 -11.660 1.00 53.53 H new ATOM 0 HD1 TYR A 101 1.948 5.419 -10.435 1.00 32.33 H new ATOM 0 HD2 TYR A 101 5.763 5.133 -12.335 1.00 3.51 H new ATOM 0 HE1 TYR A 101 2.434 3.380 -9.175 1.00 21.54 H new ATOM 0 HE2 TYR A 101 6.235 3.092 -11.072 1.00 73.23 H new ATOM 0 HH TYR A 101 5.378 2.103 -8.736 1.00 24.51 H new ATOM 1521 N THR A 102 4.834 6.130 -14.881 1.00 24.54 N ATOM 1522 CA THR A 102 5.855 5.382 -15.644 1.00 43.30 C ATOM 1523 C THR A 102 7.175 5.338 -14.844 1.00 54.44 C ATOM 1524 O THR A 102 7.655 6.374 -14.376 1.00 32.11 O ATOM 1525 CB THR A 102 6.112 6.026 -17.051 1.00 64.34 C ATOM 1526 OG1 THR A 102 4.884 6.072 -17.805 1.00 41.33 O ATOM 1527 CG2 THR A 102 7.175 5.259 -17.866 1.00 60.54 C ATOM 0 H THR A 102 5.135 7.065 -14.607 1.00 24.54 H new ATOM 0 HA THR A 102 5.481 4.370 -15.801 1.00 43.30 H new ATOM 0 HB THR A 102 6.488 7.034 -16.874 1.00 64.34 H new ATOM 0 HG1 THR A 102 5.053 6.477 -18.681 1.00 41.33 H new ATOM 0 HG21 THR A 102 7.315 5.746 -18.831 1.00 60.54 H new ATOM 0 HG22 THR A 102 8.119 5.256 -17.321 1.00 60.54 H new ATOM 0 HG23 THR A 102 6.843 4.233 -18.022 1.00 60.54 H new ATOM 1535 N SER A 103 7.733 4.126 -14.678 1.00 4.41 N ATOM 1536 CA SER A 103 9.058 3.911 -14.052 1.00 4.13 C ATOM 1537 C SER A 103 10.177 4.590 -14.879 1.00 50.32 C ATOM 1538 O SER A 103 10.336 4.299 -16.064 1.00 21.31 O ATOM 1539 CB SER A 103 9.335 2.390 -13.923 1.00 71.32 C ATOM 1540 OG SER A 103 10.611 2.112 -13.359 1.00 51.34 O ATOM 0 H SER A 103 7.279 3.262 -14.974 1.00 4.41 H new ATOM 0 HA SER A 103 9.050 4.362 -13.060 1.00 4.13 H new ATOM 0 HB2 SER A 103 8.562 1.935 -13.304 1.00 71.32 H new ATOM 0 HB3 SER A 103 9.269 1.928 -14.908 1.00 71.32 H new ATOM 0 HG SER A 103 10.737 1.142 -13.297 1.00 51.34 H new ATOM 1546 N THR A 104 10.909 5.522 -14.244 1.00 11.31 N ATOM 1547 CA THR A 104 12.043 6.252 -14.868 1.00 41.23 C ATOM 1548 C THR A 104 13.181 5.295 -15.334 1.00 54.22 C ATOM 1549 O THR A 104 13.756 5.480 -16.411 1.00 20.14 O ATOM 1550 CB THR A 104 12.633 7.318 -13.875 1.00 14.11 C ATOM 1551 OG1 THR A 104 13.070 6.674 -12.660 1.00 63.41 O ATOM 1552 CG2 THR A 104 11.606 8.416 -13.526 1.00 12.43 C ATOM 0 H THR A 104 10.735 5.797 -13.277 1.00 11.31 H new ATOM 0 HA THR A 104 11.642 6.752 -15.749 1.00 41.23 H new ATOM 0 HB THR A 104 13.478 7.791 -14.375 1.00 14.11 H new ATOM 0 HG1 THR A 104 12.307 6.232 -12.231 1.00 63.41 H new ATOM 0 HG21 THR A 104 12.057 9.131 -12.837 1.00 12.43 H new ATOM 0 HG22 THR A 104 11.302 8.932 -14.437 1.00 12.43 H new ATOM 0 HG23 THR A 104 10.733 7.962 -13.057 1.00 12.43 H new ATOM 1560 N THR A 105 13.491 4.282 -14.505 1.00 11.42 N ATOM 1561 CA THR A 105 14.541 3.276 -14.809 1.00 61.41 C ATOM 1562 C THR A 105 14.074 2.248 -15.873 1.00 3.14 C ATOM 1563 O THR A 105 14.704 2.108 -16.934 1.00 50.44 O ATOM 1564 CB THR A 105 15.001 2.510 -13.520 1.00 62.54 C ATOM 1565 OG1 THR A 105 13.901 1.766 -12.959 1.00 3.13 O ATOM 1566 CG2 THR A 105 15.568 3.474 -12.458 1.00 64.33 C ATOM 0 H THR A 105 13.027 4.132 -13.609 1.00 11.42 H new ATOM 0 HA THR A 105 15.385 3.836 -15.212 1.00 61.41 H new ATOM 0 HB THR A 105 15.794 1.822 -13.815 1.00 62.54 H new ATOM 0 HG1 THR A 105 14.056 0.807 -13.087 1.00 3.13 H new ATOM 0 HG21 THR A 105 15.876 2.907 -11.580 1.00 64.33 H new ATOM 0 HG22 THR A 105 16.428 4.003 -12.869 1.00 64.33 H new ATOM 0 HG23 THR A 105 14.801 4.194 -12.174 1.00 64.33 H new ATOM 1574 N SER A 106 12.958 1.548 -15.586 1.00 11.45 N ATOM 1575 CA SER A 106 12.449 0.437 -16.437 1.00 20.52 C ATOM 1576 C SER A 106 11.868 0.955 -17.778 1.00 71.24 C ATOM 1577 O SER A 106 12.091 0.359 -18.836 1.00 4.25 O ATOM 1578 CB SER A 106 11.357 -0.369 -15.679 1.00 51.33 C ATOM 1579 OG SER A 106 11.823 -0.826 -14.412 1.00 53.30 O ATOM 0 H SER A 106 12.382 1.730 -14.764 1.00 11.45 H new ATOM 0 HA SER A 106 13.297 -0.211 -16.661 1.00 20.52 H new ATOM 0 HB2 SER A 106 10.475 0.256 -15.538 1.00 51.33 H new ATOM 0 HB3 SER A 106 11.050 -1.223 -16.283 1.00 51.33 H new ATOM 0 HG SER A 106 11.111 -1.327 -13.963 1.00 53.30 H new ATOM 1585 N GLY A 107 11.141 2.086 -17.713 1.00 55.13 N ATOM 1586 CA GLY A 107 10.350 2.600 -18.852 1.00 55.13 C ATOM 1587 C GLY A 107 8.925 2.028 -18.901 1.00 22.42 C ATOM 1588 O GLY A 107 8.157 2.333 -19.823 1.00 2.32 O ATOM 0 H GLY A 107 11.084 2.667 -16.877 1.00 55.13 H new ATOM 0 HA2 GLY A 107 10.297 3.687 -18.789 1.00 55.13 H new ATOM 0 HA3 GLY A 107 10.864 2.359 -19.782 1.00 55.13 H new ATOM 1592 N GLU A 108 8.589 1.179 -17.909 1.00 30.54 N ATOM 1593 CA GLU A 108 7.276 0.504 -17.787 1.00 15.43 C ATOM 1594 C GLU A 108 6.152 1.453 -17.299 1.00 1.05 C ATOM 1595 O GLU A 108 6.303 2.141 -16.289 1.00 1.30 O ATOM 1596 CB GLU A 108 7.433 -0.686 -16.798 1.00 3.34 C ATOM 1597 CG GLU A 108 6.152 -1.504 -16.531 1.00 20.40 C ATOM 1598 CD GLU A 108 6.382 -2.643 -15.523 1.00 50.34 C ATOM 1599 OE1 GLU A 108 6.473 -2.362 -14.306 1.00 33.21 O ATOM 1600 OE2 GLU A 108 6.511 -3.815 -15.939 1.00 55.34 O ATOM 0 H GLU A 108 9.232 0.937 -17.155 1.00 30.54 H new ATOM 0 HA GLU A 108 6.977 0.159 -18.777 1.00 15.43 H new ATOM 0 HB2 GLU A 108 8.198 -1.359 -17.186 1.00 3.34 H new ATOM 0 HB3 GLU A 108 7.800 -0.299 -15.847 1.00 3.34 H new ATOM 0 HG2 GLU A 108 5.373 -0.841 -16.154 1.00 20.40 H new ATOM 0 HG3 GLU A 108 5.789 -1.922 -17.470 1.00 20.40 H new ATOM 1607 N LYS A 109 5.020 1.453 -18.024 1.00 53.10 N ATOM 1608 CA LYS A 109 3.802 2.203 -17.648 1.00 51.34 C ATOM 1609 C LYS A 109 2.978 1.388 -16.614 1.00 22.14 C ATOM 1610 O LYS A 109 2.246 0.459 -16.974 1.00 5.51 O ATOM 1611 CB LYS A 109 2.942 2.531 -18.914 1.00 1.11 C ATOM 1612 CG LYS A 109 3.472 3.691 -19.811 1.00 23.21 C ATOM 1613 CD LYS A 109 4.845 3.419 -20.477 1.00 74.20 C ATOM 1614 CE LYS A 109 4.824 2.229 -21.455 1.00 5.44 C ATOM 1615 NZ LYS A 109 6.163 1.972 -22.050 1.00 4.44 N ATOM 0 H LYS A 109 4.921 0.930 -18.894 1.00 53.10 H new ATOM 0 HA LYS A 109 4.097 3.148 -17.191 1.00 51.34 H new ATOM 0 HB2 LYS A 109 2.868 1.630 -19.523 1.00 1.11 H new ATOM 0 HB3 LYS A 109 1.932 2.780 -18.589 1.00 1.11 H new ATOM 0 HG2 LYS A 109 2.738 3.893 -20.592 1.00 23.21 H new ATOM 0 HG3 LYS A 109 3.550 4.594 -19.205 1.00 23.21 H new ATOM 0 HD2 LYS A 109 5.165 4.314 -21.011 1.00 74.20 H new ATOM 0 HD3 LYS A 109 5.586 3.229 -19.701 1.00 74.20 H new ATOM 0 HE2 LYS A 109 4.483 1.336 -20.932 1.00 5.44 H new ATOM 0 HE3 LYS A 109 4.106 2.426 -22.251 1.00 5.44 H new ATOM 0 HZ1 LYS A 109 6.204 0.995 -22.403 1.00 4.44 H new ATOM 0 HZ2 LYS A 109 6.325 2.632 -22.837 1.00 4.44 H new ATOM 0 HZ3 LYS A 109 6.897 2.110 -21.326 1.00 4.44 H new ATOM 1629 N VAL A 110 3.130 1.735 -15.326 1.00 74.44 N ATOM 1630 CA VAL A 110 2.441 1.038 -14.216 1.00 32.32 C ATOM 1631 C VAL A 110 1.057 1.681 -13.958 1.00 11.10 C ATOM 1632 O VAL A 110 0.964 2.866 -13.606 1.00 12.20 O ATOM 1633 CB VAL A 110 3.304 1.057 -12.902 1.00 62.35 C ATOM 1634 CG1 VAL A 110 2.588 0.312 -11.738 1.00 63.05 C ATOM 1635 CG2 VAL A 110 4.718 0.472 -13.159 1.00 35.24 C ATOM 0 H VAL A 110 3.729 2.502 -15.021 1.00 74.44 H new ATOM 0 HA VAL A 110 2.302 -0.003 -14.509 1.00 32.32 H new ATOM 0 HB VAL A 110 3.421 2.097 -12.598 1.00 62.35 H new ATOM 0 HG11 VAL A 110 3.213 0.345 -10.846 1.00 63.05 H new ATOM 0 HG12 VAL A 110 1.633 0.795 -11.530 1.00 63.05 H new ATOM 0 HG13 VAL A 110 2.416 -0.726 -12.022 1.00 63.05 H new ATOM 0 HG21 VAL A 110 5.295 0.496 -12.235 1.00 35.24 H new ATOM 0 HG22 VAL A 110 4.628 -0.558 -13.504 1.00 35.24 H new ATOM 0 HG23 VAL A 110 5.225 1.066 -13.919 1.00 35.24 H new ATOM 1645 N LYS A 111 -0.010 0.880 -14.134 1.00 13.55 N ATOM 1646 CA LYS A 111 -1.411 1.346 -14.014 1.00 62.20 C ATOM 1647 C LYS A 111 -2.096 0.815 -12.730 1.00 24.25 C ATOM 1648 O LYS A 111 -1.782 -0.282 -12.252 1.00 51.41 O ATOM 1649 CB LYS A 111 -2.211 0.926 -15.281 1.00 64.34 C ATOM 1650 CG LYS A 111 -2.283 -0.599 -15.540 1.00 54.23 C ATOM 1651 CD LYS A 111 -2.956 -0.953 -16.891 1.00 14.14 C ATOM 1652 CE LYS A 111 -4.425 -0.493 -16.974 1.00 2.10 C ATOM 1653 NZ LYS A 111 -5.067 -0.887 -18.255 1.00 44.32 N ATOM 0 H LYS A 111 0.071 -0.110 -14.364 1.00 13.55 H new ATOM 0 HA LYS A 111 -1.399 2.433 -13.936 1.00 62.20 H new ATOM 0 HB2 LYS A 111 -3.227 1.312 -15.194 1.00 64.34 H new ATOM 0 HB3 LYS A 111 -1.761 1.405 -16.151 1.00 64.34 H new ATOM 0 HG2 LYS A 111 -1.275 -1.013 -15.523 1.00 54.23 H new ATOM 0 HG3 LYS A 111 -2.836 -1.074 -14.730 1.00 54.23 H new ATOM 0 HD2 LYS A 111 -2.391 -0.494 -17.703 1.00 14.14 H new ATOM 0 HD3 LYS A 111 -2.910 -2.032 -17.041 1.00 14.14 H new ATOM 0 HE2 LYS A 111 -4.985 -0.921 -16.143 1.00 2.10 H new ATOM 0 HE3 LYS A 111 -4.471 0.591 -16.865 1.00 2.10 H new ATOM 0 HZ1 LYS A 111 -6.053 -0.556 -18.265 1.00 44.32 H new ATOM 0 HZ2 LYS A 111 -4.550 -0.458 -19.049 1.00 44.32 H new ATOM 0 HZ3 LYS A 111 -5.048 -1.923 -18.349 1.00 44.32 H new ATOM 1667 N ASN A 112 -3.024 1.636 -12.185 1.00 12.33 N ATOM 1668 CA ASN A 112 -3.906 1.275 -11.036 1.00 42.52 C ATOM 1669 C ASN A 112 -3.114 0.877 -9.748 1.00 64.20 C ATOM 1670 O ASN A 112 -3.583 0.052 -8.948 1.00 64.14 O ATOM 1671 CB ASN A 112 -4.902 0.146 -11.444 1.00 31.42 C ATOM 1672 CG ASN A 112 -5.757 0.507 -12.659 1.00 35.21 C ATOM 1673 OD1 ASN A 112 -5.415 0.206 -13.802 1.00 60.34 O ATOM 1674 ND2 ASN A 112 -6.870 1.168 -12.429 1.00 0.01 N ATOM 0 H ASN A 112 -3.188 2.581 -12.531 1.00 12.33 H new ATOM 0 HA ASN A 112 -4.467 2.175 -10.783 1.00 42.52 H new ATOM 0 HB2 ASN A 112 -4.341 -0.764 -11.660 1.00 31.42 H new ATOM 0 HB3 ASN A 112 -5.556 -0.075 -10.600 1.00 31.42 H new ATOM 0 HD21 ASN A 112 -7.470 1.442 -13.207 1.00 0.01 H new ATOM 0 HD22 ASN A 112 -7.133 1.407 -11.473 1.00 0.01 H new ATOM 1681 N HIS A 113 -1.954 1.523 -9.533 1.00 43.24 N ATOM 1682 CA HIS A 113 -1.041 1.220 -8.400 1.00 70.41 C ATOM 1683 C HIS A 113 -1.680 1.550 -7.023 1.00 42.23 C ATOM 1684 O HIS A 113 -2.124 2.676 -6.788 1.00 24.32 O ATOM 1685 CB HIS A 113 0.290 1.998 -8.577 1.00 71.13 C ATOM 1686 CG HIS A 113 1.293 1.812 -7.456 1.00 61.12 C ATOM 1687 ND1 HIS A 113 2.114 0.717 -7.405 1.00 53.10 N ATOM 1688 CD2 HIS A 113 1.554 2.602 -6.382 1.00 72.12 C ATOM 1689 CE1 HIS A 113 2.851 0.860 -6.321 1.00 63.15 C ATOM 1690 NE2 HIS A 113 2.545 1.986 -5.664 1.00 31.41 N ATOM 0 H HIS A 113 -1.617 2.272 -10.137 1.00 43.24 H new ATOM 0 HA HIS A 113 -0.845 0.148 -8.412 1.00 70.41 H new ATOM 0 HB2 HIS A 113 0.753 1.688 -9.514 1.00 71.13 H new ATOM 0 HB3 HIS A 113 0.063 3.060 -8.669 1.00 71.13 H new ATOM 0 HD2 HIS A 113 1.072 3.538 -6.140 1.00 72.12 H new ATOM 0 HE1 HIS A 113 3.607 0.157 -6.003 1.00 63.15 H new ATOM 0 HE2 HIS A 113 2.967 2.320 -4.798 1.00 31.41 H new ATOM 1698 N LYS A 114 -1.706 0.545 -6.123 1.00 73.32 N ATOM 1699 CA LYS A 114 -2.263 0.675 -4.754 1.00 44.11 C ATOM 1700 C LYS A 114 -1.281 0.085 -3.688 1.00 74.11 C ATOM 1701 O LYS A 114 -0.730 -0.996 -3.900 1.00 31.03 O ATOM 1702 CB LYS A 114 -3.626 -0.077 -4.657 1.00 24.12 C ATOM 1703 CG LYS A 114 -4.760 0.471 -5.557 1.00 13.24 C ATOM 1704 CD LYS A 114 -6.105 -0.263 -5.319 1.00 11.02 C ATOM 1705 CE LYS A 114 -7.270 0.327 -6.131 1.00 13.43 C ATOM 1706 NZ LYS A 114 -7.147 0.044 -7.583 1.00 30.41 N ATOM 0 H LYS A 114 -1.340 -0.386 -6.324 1.00 73.32 H new ATOM 0 HA LYS A 114 -2.408 1.736 -4.553 1.00 44.11 H new ATOM 0 HB2 LYS A 114 -3.461 -1.124 -4.909 1.00 24.12 H new ATOM 0 HB3 LYS A 114 -3.963 -0.048 -3.621 1.00 24.12 H new ATOM 0 HG2 LYS A 114 -4.891 1.536 -5.365 1.00 13.24 H new ATOM 0 HG3 LYS A 114 -4.472 0.368 -6.603 1.00 13.24 H new ATOM 0 HD2 LYS A 114 -5.987 -1.316 -5.577 1.00 11.02 H new ATOM 0 HD3 LYS A 114 -6.352 -0.220 -4.258 1.00 11.02 H new ATOM 0 HE2 LYS A 114 -8.211 -0.082 -5.762 1.00 13.43 H new ATOM 0 HE3 LYS A 114 -7.309 1.405 -5.976 1.00 13.43 H new ATOM 0 HZ1 LYS A 114 -6.897 0.919 -8.087 1.00 30.41 H new ATOM 0 HZ2 LYS A 114 -6.405 -0.668 -7.736 1.00 30.41 H new ATOM 0 HZ3 LYS A 114 -8.053 -0.317 -7.944 1.00 30.41 H new ATOM 1720 N TRP A 115 -1.036 0.762 -2.534 1.00 0.32 N ATOM 1721 CA TRP A 115 -1.413 2.180 -2.250 1.00 1.14 C ATOM 1722 C TRP A 115 -0.164 3.070 -2.028 1.00 23.21 C ATOM 1723 O TRP A 115 0.926 2.572 -1.729 1.00 1.13 O ATOM 1724 CB TRP A 115 -2.318 2.265 -0.988 1.00 60.21 C ATOM 1725 CG TRP A 115 -3.664 1.596 -1.136 1.00 54.42 C ATOM 1726 CD1 TRP A 115 -4.030 0.355 -0.696 1.00 60.00 C ATOM 1727 CD2 TRP A 115 -4.828 2.146 -1.778 1.00 51.23 C ATOM 1728 NE1 TRP A 115 -5.338 0.111 -1.022 1.00 41.25 N ATOM 1729 CE2 TRP A 115 -5.848 1.193 -1.681 1.00 41.10 C ATOM 1730 CE3 TRP A 115 -5.100 3.359 -2.413 1.00 33.14 C ATOM 1731 CZ2 TRP A 115 -7.121 1.404 -2.203 1.00 23.14 C ATOM 1732 CZ3 TRP A 115 -6.362 3.572 -2.935 1.00 64.01 C ATOM 1733 CH2 TRP A 115 -7.359 2.598 -2.824 1.00 21.33 C ATOM 0 H TRP A 115 -0.555 0.324 -1.748 1.00 0.32 H new ATOM 0 HA TRP A 115 -1.956 2.545 -3.122 1.00 1.14 H new ATOM 0 HB2 TRP A 115 -1.792 1.812 -0.148 1.00 60.21 H new ATOM 0 HB3 TRP A 115 -2.474 3.314 -0.738 1.00 60.21 H new ATOM 0 HD1 TRP A 115 -3.384 -0.332 -0.169 1.00 60.00 H new ATOM 0 HE1 TRP A 115 -5.850 -0.744 -0.806 1.00 41.25 H new ATOM 0 HE3 TRP A 115 -4.337 4.119 -2.495 1.00 33.14 H new ATOM 0 HZ2 TRP A 115 -7.892 0.652 -2.120 1.00 23.14 H new ATOM 0 HZ3 TRP A 115 -6.581 4.504 -3.436 1.00 64.01 H new ATOM 0 HH2 TRP A 115 -8.337 2.793 -3.238 1.00 21.33 H new ATOM 1744 N VAL A 116 -0.360 4.398 -2.168 1.00 1.42 N ATOM 1745 CA VAL A 116 0.665 5.430 -1.850 1.00 62.05 C ATOM 1746 C VAL A 116 0.034 6.602 -1.053 1.00 32.24 C ATOM 1747 O VAL A 116 -1.066 7.044 -1.356 1.00 50.01 O ATOM 1748 CB VAL A 116 1.369 5.994 -3.152 1.00 61.21 C ATOM 1749 CG1 VAL A 116 2.372 4.975 -3.746 1.00 2.30 C ATOM 1750 CG2 VAL A 116 0.322 6.417 -4.211 1.00 22.01 C ATOM 0 H VAL A 116 -1.237 4.793 -2.507 1.00 1.42 H new ATOM 0 HA VAL A 116 1.425 4.941 -1.240 1.00 62.05 H new ATOM 0 HB VAL A 116 1.934 6.879 -2.859 1.00 61.21 H new ATOM 0 HG11 VAL A 116 2.835 5.398 -4.638 1.00 2.30 H new ATOM 0 HG12 VAL A 116 3.143 4.751 -3.009 1.00 2.30 H new ATOM 0 HG13 VAL A 116 1.845 4.058 -4.010 1.00 2.30 H new ATOM 0 HG21 VAL A 116 0.832 6.800 -5.094 1.00 22.01 H new ATOM 0 HG22 VAL A 116 -0.284 5.555 -4.488 1.00 22.01 H new ATOM 0 HG23 VAL A 116 -0.320 7.194 -3.797 1.00 22.01 H new ATOM 1760 N THR A 117 0.752 7.116 -0.048 1.00 40.12 N ATOM 1761 CA THR A 117 0.263 8.228 0.813 1.00 73.41 C ATOM 1762 C THR A 117 0.688 9.610 0.271 1.00 23.51 C ATOM 1763 O THR A 117 1.638 9.719 -0.498 1.00 61.23 O ATOM 1764 CB THR A 117 0.777 8.076 2.285 1.00 50.51 C ATOM 1765 OG1 THR A 117 2.218 8.062 2.317 1.00 21.31 O ATOM 1766 CG2 THR A 117 0.240 6.798 2.941 1.00 2.40 C ATOM 0 H THR A 117 1.684 6.784 0.200 1.00 40.12 H new ATOM 0 HA THR A 117 -0.825 8.168 0.801 1.00 73.41 H new ATOM 0 HB THR A 117 0.408 8.933 2.848 1.00 50.51 H new ATOM 0 HG1 THR A 117 2.524 7.968 3.243 1.00 21.31 H new ATOM 0 HG21 THR A 117 0.618 6.726 3.961 1.00 2.40 H new ATOM 0 HG22 THR A 117 -0.849 6.828 2.959 1.00 2.40 H new ATOM 0 HG23 THR A 117 0.570 5.930 2.370 1.00 2.40 H new ATOM 1774 N GLU A 118 -0.026 10.671 0.693 1.00 73.40 N ATOM 1775 CA GLU A 118 0.353 12.073 0.368 1.00 5.24 C ATOM 1776 C GLU A 118 1.703 12.456 1.029 1.00 75.22 C ATOM 1777 O GLU A 118 2.440 13.313 0.527 1.00 44.33 O ATOM 1778 CB GLU A 118 -0.780 13.038 0.816 1.00 31.04 C ATOM 1779 CG GLU A 118 -0.570 14.519 0.438 1.00 14.11 C ATOM 1780 CD GLU A 118 -1.826 15.376 0.675 1.00 10.35 C ATOM 1781 OE1 GLU A 118 -2.026 15.863 1.811 1.00 11.10 O ATOM 1782 OE2 GLU A 118 -2.631 15.533 -0.264 1.00 52.10 O ATOM 0 H GLU A 118 -0.870 10.591 1.260 1.00 73.40 H new ATOM 0 HA GLU A 118 0.484 12.159 -0.711 1.00 5.24 H new ATOM 0 HB2 GLU A 118 -1.719 12.698 0.379 1.00 31.04 H new ATOM 0 HB3 GLU A 118 -0.888 12.968 1.898 1.00 31.04 H new ATOM 0 HG2 GLU A 118 0.257 14.925 1.021 1.00 14.11 H new ATOM 0 HG3 GLU A 118 -0.283 14.585 -0.611 1.00 14.11 H new ATOM 1789 N ASP A 119 2.018 11.779 2.151 1.00 62.11 N ATOM 1790 CA ASP A 119 3.294 11.942 2.881 1.00 11.43 C ATOM 1791 C ASP A 119 4.504 11.496 2.022 1.00 51.12 C ATOM 1792 O ASP A 119 5.595 12.073 2.120 1.00 13.11 O ATOM 1793 CB ASP A 119 3.250 11.125 4.197 1.00 64.11 C ATOM 1794 CG ASP A 119 2.046 11.492 5.076 1.00 54.14 C ATOM 1795 OD1 ASP A 119 2.123 12.499 5.813 1.00 75.32 O ATOM 1796 OD2 ASP A 119 1.006 10.793 5.014 1.00 14.35 O ATOM 0 H ASP A 119 1.391 11.099 2.580 1.00 62.11 H new ATOM 0 HA ASP A 119 3.420 13.001 3.108 1.00 11.43 H new ATOM 0 HB2 ASP A 119 3.212 10.062 3.960 1.00 64.11 H new ATOM 0 HB3 ASP A 119 4.170 11.294 4.757 1.00 64.11 H new ATOM 1801 N GLU A 120 4.297 10.457 1.183 1.00 11.22 N ATOM 1802 CA GLU A 120 5.363 9.907 0.310 1.00 24.43 C ATOM 1803 C GLU A 120 5.330 10.496 -1.129 1.00 74.51 C ATOM 1804 O GLU A 120 6.208 10.197 -1.947 1.00 53.25 O ATOM 1805 CB GLU A 120 5.277 8.363 0.277 1.00 73.35 C ATOM 1806 CG GLU A 120 4.126 7.775 -0.547 1.00 21.03 C ATOM 1807 CD GLU A 120 4.168 6.248 -0.572 1.00 23.22 C ATOM 1808 OE1 GLU A 120 4.958 5.679 -1.350 1.00 70.33 O ATOM 1809 OE2 GLU A 120 3.445 5.615 0.221 1.00 31.42 O ATOM 0 H GLU A 120 3.400 9.980 1.090 1.00 11.22 H new ATOM 0 HA GLU A 120 6.319 10.206 0.740 1.00 24.43 H new ATOM 0 HB2 GLU A 120 6.216 7.974 -0.117 1.00 73.35 H new ATOM 0 HB3 GLU A 120 5.187 8.001 1.301 1.00 73.35 H new ATOM 0 HG2 GLU A 120 3.175 8.106 -0.130 1.00 21.03 H new ATOM 0 HG3 GLU A 120 4.177 8.157 -1.567 1.00 21.03 H new ATOM 1816 N LEU A 121 4.343 11.363 -1.420 1.00 42.25 N ATOM 1817 CA LEU A 121 4.200 12.032 -2.739 1.00 20.40 C ATOM 1818 C LEU A 121 4.479 13.545 -2.587 1.00 35.11 C ATOM 1819 O LEU A 121 4.587 14.065 -1.468 1.00 12.13 O ATOM 1820 CB LEU A 121 2.772 11.804 -3.324 1.00 44.43 C ATOM 1821 CG LEU A 121 2.357 10.320 -3.588 1.00 43.14 C ATOM 1822 CD1 LEU A 121 0.908 10.234 -4.122 1.00 33.23 C ATOM 1823 CD2 LEU A 121 3.350 9.612 -4.541 1.00 20.22 C ATOM 0 H LEU A 121 3.618 11.624 -0.751 1.00 42.25 H new ATOM 0 HA LEU A 121 4.923 11.599 -3.431 1.00 20.40 H new ATOM 0 HB2 LEU A 121 2.048 12.244 -2.639 1.00 44.43 H new ATOM 0 HB3 LEU A 121 2.696 12.352 -4.263 1.00 44.43 H new ATOM 0 HG LEU A 121 2.393 9.795 -2.634 1.00 43.14 H new ATOM 0 HD11 LEU A 121 0.646 9.191 -4.297 1.00 33.23 H new ATOM 0 HD12 LEU A 121 0.224 10.662 -3.389 1.00 33.23 H new ATOM 0 HD13 LEU A 121 0.831 10.789 -5.057 1.00 33.23 H new ATOM 0 HD21 LEU A 121 3.029 8.583 -4.701 1.00 20.22 H new ATOM 0 HD22 LEU A 121 3.375 10.137 -5.496 1.00 20.22 H new ATOM 0 HD23 LEU A 121 4.346 9.617 -4.098 1.00 20.22 H new ATOM 1835 N SER A 122 4.620 14.249 -3.720 1.00 41.11 N ATOM 1836 CA SER A 122 4.810 15.718 -3.749 1.00 31.34 C ATOM 1837 C SER A 122 4.072 16.315 -4.958 1.00 34.01 C ATOM 1838 O SER A 122 4.338 15.913 -6.083 1.00 64.34 O ATOM 1839 CB SER A 122 6.321 16.076 -3.818 1.00 32.13 C ATOM 1840 OG SER A 122 7.020 15.650 -2.652 1.00 74.25 O ATOM 0 H SER A 122 4.606 13.821 -4.646 1.00 41.11 H new ATOM 0 HA SER A 122 4.399 16.140 -2.832 1.00 31.34 H new ATOM 0 HB2 SER A 122 6.765 15.611 -4.698 1.00 32.13 H new ATOM 0 HB3 SER A 122 6.434 17.154 -3.936 1.00 32.13 H new ATOM 0 HG SER A 122 7.967 15.891 -2.732 1.00 74.25 H new ATOM 1846 N ALA A 123 3.153 17.273 -4.721 1.00 64.43 N ATOM 1847 CA ALA A 123 2.397 17.959 -5.804 1.00 21.22 C ATOM 1848 C ALA A 123 3.340 18.775 -6.725 1.00 41.34 C ATOM 1849 O ALA A 123 4.334 19.340 -6.247 1.00 20.43 O ATOM 1850 CB ALA A 123 1.305 18.863 -5.199 1.00 75.24 C ATOM 0 H ALA A 123 2.911 17.595 -3.784 1.00 64.43 H new ATOM 0 HA ALA A 123 1.920 17.196 -6.419 1.00 21.22 H new ATOM 0 HB1 ALA A 123 0.758 19.360 -6.001 1.00 75.24 H new ATOM 0 HB2 ALA A 123 0.616 18.257 -4.611 1.00 75.24 H new ATOM 0 HB3 ALA A 123 1.768 19.612 -4.557 1.00 75.24 H new ATOM 1856 N LYS A 124 3.029 18.820 -8.045 1.00 55.34 N ATOM 1857 CA LYS A 124 3.877 19.511 -9.046 1.00 54.35 C ATOM 1858 C LYS A 124 3.726 21.058 -8.941 1.00 34.52 C ATOM 1859 O LYS A 124 3.005 21.701 -9.714 1.00 31.03 O ATOM 1860 CB LYS A 124 3.560 18.985 -10.480 1.00 73.14 C ATOM 1861 CG LYS A 124 4.518 19.481 -11.593 1.00 44.32 C ATOM 1862 CD LYS A 124 5.997 19.113 -11.317 1.00 61.41 C ATOM 1863 CE LYS A 124 6.932 19.507 -12.472 1.00 14.11 C ATOM 1864 NZ LYS A 124 6.641 18.740 -13.713 1.00 2.01 N ATOM 0 H LYS A 124 2.195 18.385 -8.440 1.00 55.34 H new ATOM 0 HA LYS A 124 4.922 19.284 -8.834 1.00 54.35 H new ATOM 0 HB2 LYS A 124 3.582 17.895 -10.463 1.00 73.14 H new ATOM 0 HB3 LYS A 124 2.543 19.279 -10.741 1.00 73.14 H new ATOM 0 HG2 LYS A 124 4.213 19.051 -12.547 1.00 44.32 H new ATOM 0 HG3 LYS A 124 4.429 20.563 -11.688 1.00 44.32 H new ATOM 0 HD2 LYS A 124 6.326 19.608 -10.404 1.00 61.41 H new ATOM 0 HD3 LYS A 124 6.074 18.040 -11.143 1.00 61.41 H new ATOM 0 HE2 LYS A 124 6.830 20.573 -12.673 1.00 14.11 H new ATOM 0 HE3 LYS A 124 7.967 19.336 -12.175 1.00 14.11 H new ATOM 0 HZ1 LYS A 124 7.385 18.923 -14.417 1.00 2.01 H new ATOM 0 HZ2 LYS A 124 6.613 17.724 -13.494 1.00 2.01 H new ATOM 0 HZ3 LYS A 124 5.721 19.037 -14.097 1.00 2.01 H new