USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 7 THR OG1 : rot -47:sc= 0.129! USER MOD Set 1.2: A 42 HIS : no HD1:sc= 0.0313 K(o=0.16,f=-2.3) USER MOD Set 2.1: A 28 HIS : no HE2:sc= 0.88 K(o=1.8,f=-8.6!) USER MOD Set 2.2: A 53 TYR OH : rot -78:sc= 0.942 USER MOD Set 3.1: A 10 ASN : amide:sc= 0 K(o=-0.69,f=-3.9) USER MOD Set 3.2: A 13 MET CE :methyl -135:sc= -0.686 (180deg=-3.65!) USER MOD Single : A 6 MET CE :methyl 142:sc= -0.104 (180deg=-0.789) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.73 K(o=-2.7,f=-0.16) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.896 K(o=-0.9,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.459 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.384 K(o=0.38,f=-3!) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.849 USER MOD Single : A 50 MET CE :methyl -178:sc= -1.67 (180deg=-1.68) USER MOD Single : A 51 SER OG : rot -23:sc= 0.531 USER MOD Single : A 52 ASN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.72 K(o=0.72,f=-2.2!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 125:sc= 1.2 USER MOD Single : A 62 THR OG1 : rot 70:sc= 0.381 USER MOD Single : A 63 ASN : amide:sc= -0.459 K(o=-0.46,f=-5.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 100:sc= -0.189 USER MOD Single : A 70 MET CE :methyl -165:sc= -0.0712 (180deg=-0.448) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 75 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.14) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 77 HIS : no HE2:sc= -0.375 X(o=-0.38,f=-0.06) USER MOD Single : A 78 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 7.568 -9.325 -5.029 1.00 64.51 N ATOM 50 CA PRO A 5 6.474 -9.498 -4.077 1.00 73.13 C ATOM 51 C PRO A 5 6.036 -8.178 -3.409 1.00 1.11 C ATOM 52 O PRO A 5 5.007 -8.130 -2.731 1.00 22.11 O ATOM 53 CB PRO A 5 7.113 -10.437 -3.053 1.00 62.30 C ATOM 54 CG PRO A 5 8.550 -10.011 -3.001 1.00 64.01 C ATOM 55 CD PRO A 5 8.879 -9.402 -4.350 1.00 22.15 C ATOM 0 HA PRO A 5 5.561 -9.870 -4.543 1.00 73.13 H new ATOM 0 HB2 PRO A 5 6.636 -10.345 -2.077 1.00 62.30 H new ATOM 0 HB3 PRO A 5 7.018 -11.480 -3.357 1.00 62.30 H new ATOM 0 HG2 PRO A 5 8.709 -9.287 -2.202 1.00 64.01 H new ATOM 0 HG3 PRO A 5 9.198 -10.863 -2.794 1.00 64.01 H new ATOM 0 HD2 PRO A 5 9.334 -8.417 -4.244 1.00 22.15 H new ATOM 0 HD3 PRO A 5 9.583 -10.020 -4.907 1.00 22.15 H new ATOM 63 N MET A 6 6.808 -7.106 -3.622 1.00 23.40 N ATOM 64 CA MET A 6 6.574 -5.828 -2.935 1.00 33.42 C ATOM 65 C MET A 6 5.286 -5.143 -3.421 1.00 12.24 C ATOM 66 O MET A 6 4.434 -4.786 -2.611 1.00 15.44 O ATOM 67 CB MET A 6 7.777 -4.890 -3.124 1.00 32.51 C ATOM 68 CG MET A 6 9.095 -5.464 -2.610 1.00 14.22 C ATOM 69 SD MET A 6 10.484 -4.328 -2.817 1.00 32.10 S ATOM 70 CE MET A 6 9.968 -2.946 -1.798 1.00 40.31 C ATOM 0 H MET A 6 7.600 -7.097 -4.264 1.00 23.40 H new ATOM 0 HA MET A 6 6.452 -6.046 -1.874 1.00 33.42 H new ATOM 0 HB2 MET A 6 7.882 -4.658 -4.184 1.00 32.51 H new ATOM 0 HB3 MET A 6 7.576 -3.950 -2.610 1.00 32.51 H new ATOM 0 HG2 MET A 6 8.990 -5.713 -1.554 1.00 14.22 H new ATOM 0 HG3 MET A 6 9.311 -6.394 -3.137 1.00 14.22 H new ATOM 0 HE1 MET A 6 10.833 -2.533 -1.280 1.00 40.31 H new ATOM 0 HE2 MET A 6 9.521 -2.177 -2.428 1.00 40.31 H new ATOM 0 HE3 MET A 6 9.235 -3.287 -1.066 1.00 40.31 H new ATOM 80 N THR A 7 5.165 -4.974 -4.745 1.00 15.33 N ATOM 81 CA THR A 7 3.977 -4.371 -5.403 1.00 25.00 C ATOM 82 C THR A 7 3.676 -2.929 -4.933 1.00 24.53 C ATOM 83 O THR A 7 3.804 -1.984 -5.711 1.00 53.13 O ATOM 84 CB THR A 7 2.697 -5.241 -5.243 1.00 73.53 C ATOM 85 OG1 THR A 7 2.273 -5.297 -3.870 1.00 40.31 O ATOM 86 CG2 THR A 7 2.933 -6.662 -5.755 1.00 4.53 C ATOM 0 H THR A 7 5.892 -5.252 -5.404 1.00 15.33 H new ATOM 0 HA THR A 7 4.248 -4.331 -6.458 1.00 25.00 H new ATOM 0 HB THR A 7 1.913 -4.771 -5.837 1.00 73.53 H new ATOM 0 HG1 THR A 7 3.043 -5.497 -3.298 1.00 40.31 H new ATOM 0 HG21 THR A 7 2.023 -7.249 -5.632 1.00 4.53 H new ATOM 0 HG22 THR A 7 3.203 -6.628 -6.811 1.00 4.53 H new ATOM 0 HG23 THR A 7 3.742 -7.123 -5.188 1.00 4.53 H new ATOM 94 N PHE A 8 3.271 -2.784 -3.668 1.00 22.02 N ATOM 95 CA PHE A 8 2.947 -1.484 -3.044 1.00 71.32 C ATOM 96 C PHE A 8 3.809 -0.319 -3.575 1.00 33.21 C ATOM 97 O PHE A 8 3.286 0.634 -4.159 1.00 22.43 O ATOM 98 CB PHE A 8 3.112 -1.610 -1.520 1.00 34.13 C ATOM 99 CG PHE A 8 2.892 -0.327 -0.753 1.00 51.35 C ATOM 100 CD1 PHE A 8 1.611 0.160 -0.533 1.00 64.45 C ATOM 101 CD2 PHE A 8 3.971 0.388 -0.243 1.00 45.24 C ATOM 102 CE1 PHE A 8 1.411 1.328 0.177 1.00 75.11 C ATOM 103 CE2 PHE A 8 3.773 1.556 0.465 1.00 24.15 C ATOM 104 CZ PHE A 8 2.493 2.026 0.675 1.00 41.33 C ATOM 0 H PHE A 8 3.155 -3.574 -3.034 1.00 22.02 H new ATOM 0 HA PHE A 8 1.917 -1.243 -3.306 1.00 71.32 H new ATOM 0 HB2 PHE A 8 2.412 -2.361 -1.153 1.00 34.13 H new ATOM 0 HB3 PHE A 8 4.116 -1.978 -1.306 1.00 34.13 H new ATOM 0 HD1 PHE A 8 0.761 -0.381 -0.921 1.00 64.45 H new ATOM 0 HD2 PHE A 8 4.975 0.025 -0.403 1.00 45.24 H new ATOM 0 HE1 PHE A 8 0.409 1.695 0.342 1.00 75.11 H new ATOM 0 HE2 PHE A 8 4.620 2.102 0.854 1.00 24.15 H new ATOM 0 HZ PHE A 8 2.337 2.940 1.229 1.00 41.33 H new ATOM 114 N TYR A 9 5.123 -0.399 -3.372 1.00 45.24 N ATOM 115 CA TYR A 9 6.040 0.652 -3.830 1.00 5.54 C ATOM 116 C TYR A 9 5.957 0.853 -5.354 1.00 54.33 C ATOM 117 O TYR A 9 5.853 1.980 -5.837 1.00 21.43 O ATOM 118 CB TYR A 9 7.483 0.320 -3.421 1.00 13.01 C ATOM 119 CG TYR A 9 8.504 1.321 -3.939 1.00 14.14 C ATOM 120 CD1 TYR A 9 8.657 2.567 -3.338 1.00 70.14 C ATOM 121 CD2 TYR A 9 9.307 1.019 -5.035 1.00 61.12 C ATOM 122 CE1 TYR A 9 9.576 3.481 -3.815 1.00 22.13 C ATOM 123 CE2 TYR A 9 10.229 1.928 -5.514 1.00 53.33 C ATOM 124 CZ TYR A 9 10.359 3.156 -4.901 1.00 4.41 C ATOM 125 OH TYR A 9 11.272 4.067 -5.380 1.00 11.31 O ATOM 0 H TYR A 9 5.579 -1.177 -2.895 1.00 45.24 H new ATOM 0 HA TYR A 9 5.737 1.583 -3.352 1.00 5.54 H new ATOM 0 HB2 TYR A 9 7.544 0.280 -2.333 1.00 13.01 H new ATOM 0 HB3 TYR A 9 7.738 -0.673 -3.792 1.00 13.01 H new ATOM 0 HD1 TYR A 9 8.047 2.823 -2.484 1.00 70.14 H new ATOM 0 HD2 TYR A 9 9.207 0.058 -5.518 1.00 61.12 H new ATOM 0 HE1 TYR A 9 9.680 4.445 -3.339 1.00 22.13 H new ATOM 0 HE2 TYR A 9 10.846 1.678 -6.365 1.00 53.33 H new ATOM 0 HH TYR A 9 11.744 3.684 -6.148 1.00 11.31 H new ATOM 135 N ASN A 10 5.986 -0.251 -6.105 1.00 4.42 N ATOM 136 CA ASN A 10 5.969 -0.197 -7.574 1.00 3.30 C ATOM 137 C ASN A 10 4.693 0.490 -8.104 1.00 32.12 C ATOM 138 O ASN A 10 4.689 1.073 -9.190 1.00 24.01 O ATOM 139 CB ASN A 10 6.079 -1.617 -8.146 1.00 64.34 C ATOM 140 CG ASN A 10 6.332 -1.635 -9.643 1.00 34.15 C ATOM 141 OD1 ASN A 10 7.007 -0.766 -10.184 1.00 2.12 O ATOM 142 ND2 ASN A 10 5.784 -2.615 -10.327 1.00 25.14 N ATOM 0 H ASN A 10 6.021 -1.196 -5.722 1.00 4.42 H new ATOM 0 HA ASN A 10 6.823 0.397 -7.899 1.00 3.30 H new ATOM 0 HB2 ASN A 10 6.887 -2.145 -7.640 1.00 64.34 H new ATOM 0 HB3 ASN A 10 5.159 -2.161 -7.932 1.00 64.34 H new ATOM 0 HD21 ASN A 10 5.915 -2.667 -11.337 1.00 25.14 H new ATOM 0 HD22 ASN A 10 5.228 -3.323 -9.847 1.00 25.14 H new ATOM 149 N PHE A 11 3.614 0.413 -7.327 1.00 4.41 N ATOM 150 CA PHE A 11 2.340 1.040 -7.699 1.00 33.30 C ATOM 151 C PHE A 11 2.326 2.541 -7.360 1.00 15.15 C ATOM 152 O PHE A 11 2.041 3.382 -8.216 1.00 33.32 O ATOM 153 CB PHE A 11 1.187 0.332 -6.976 1.00 33.11 C ATOM 154 CG PHE A 11 -0.181 0.895 -7.283 1.00 3.12 C ATOM 155 CD1 PHE A 11 -0.823 0.587 -8.475 1.00 35.42 C ATOM 156 CD2 PHE A 11 -0.828 1.728 -6.377 1.00 32.32 C ATOM 157 CE1 PHE A 11 -2.077 1.096 -8.756 1.00 61.33 C ATOM 158 CE2 PHE A 11 -2.082 2.239 -6.654 1.00 41.43 C ATOM 159 CZ PHE A 11 -2.707 1.923 -7.844 1.00 24.44 C ATOM 0 H PHE A 11 3.593 -0.078 -6.433 1.00 4.41 H new ATOM 0 HA PHE A 11 2.218 0.941 -8.778 1.00 33.30 H new ATOM 0 HB2 PHE A 11 1.200 -0.724 -7.244 1.00 33.11 H new ATOM 0 HB3 PHE A 11 1.358 0.390 -5.901 1.00 33.11 H new ATOM 0 HD1 PHE A 11 -0.337 -0.058 -9.191 1.00 35.42 H new ATOM 0 HD2 PHE A 11 -0.344 1.979 -5.445 1.00 32.32 H new ATOM 0 HE1 PHE A 11 -2.565 0.848 -9.687 1.00 61.33 H new ATOM 0 HE2 PHE A 11 -2.572 2.885 -5.941 1.00 41.43 H new ATOM 0 HZ PHE A 11 -3.687 2.321 -8.062 1.00 24.44 H new ATOM 169 N ILE A 12 2.653 2.868 -6.110 1.00 4.15 N ATOM 170 CA ILE A 12 2.546 4.247 -5.613 1.00 1.20 C ATOM 171 C ILE A 12 3.477 5.225 -6.365 1.00 21.40 C ATOM 172 O ILE A 12 3.225 6.433 -6.392 1.00 35.53 O ATOM 173 CB ILE A 12 2.829 4.319 -4.088 1.00 60.12 C ATOM 174 CG1 ILE A 12 2.432 5.697 -3.523 1.00 74.41 C ATOM 175 CG2 ILE A 12 4.297 4.013 -3.787 1.00 2.13 C ATOM 176 CD1 ILE A 12 0.955 6.014 -3.652 1.00 31.32 C ATOM 0 H ILE A 12 2.995 2.199 -5.420 1.00 4.15 H new ATOM 0 HA ILE A 12 1.518 4.558 -5.802 1.00 1.20 H new ATOM 0 HB ILE A 12 2.220 3.560 -3.597 1.00 60.12 H new ATOM 0 HG12 ILE A 12 2.712 5.741 -2.471 1.00 74.41 H new ATOM 0 HG13 ILE A 12 3.005 6.468 -4.038 1.00 74.41 H new ATOM 0 HG21 ILE A 12 4.468 4.070 -2.712 1.00 2.13 H new ATOM 0 HG22 ILE A 12 4.540 3.011 -4.140 1.00 2.13 H new ATOM 0 HG23 ILE A 12 4.932 4.740 -4.294 1.00 2.13 H new ATOM 0 HD11 ILE A 12 0.756 7.000 -3.232 1.00 31.32 H new ATOM 0 HD12 ILE A 12 0.671 6.004 -4.704 1.00 31.32 H new ATOM 0 HD13 ILE A 12 0.374 5.266 -3.113 1.00 31.32 H new ATOM 188 N MET A 13 4.545 4.708 -6.984 1.00 22.14 N ATOM 189 CA MET A 13 5.474 5.556 -7.752 1.00 0.32 C ATOM 190 C MET A 13 4.744 6.361 -8.839 1.00 42.04 C ATOM 191 O MET A 13 5.126 7.494 -9.142 1.00 73.04 O ATOM 192 CB MET A 13 6.588 4.722 -8.401 1.00 4.24 C ATOM 193 CG MET A 13 7.530 4.054 -7.405 1.00 10.12 C ATOM 194 SD MET A 13 8.993 3.345 -8.192 1.00 65.13 S ATOM 195 CE MET A 13 8.246 2.236 -9.385 1.00 3.30 C ATOM 0 H MET A 13 4.789 3.718 -6.971 1.00 22.14 H new ATOM 0 HA MET A 13 5.918 6.252 -7.040 1.00 0.32 H new ATOM 0 HB2 MET A 13 6.134 3.953 -9.026 1.00 4.24 H new ATOM 0 HB3 MET A 13 7.171 5.365 -9.060 1.00 4.24 H new ATOM 0 HG2 MET A 13 7.842 4.786 -6.660 1.00 10.12 H new ATOM 0 HG3 MET A 13 6.992 3.269 -6.874 1.00 10.12 H new ATOM 0 HE1 MET A 13 8.761 1.276 -9.361 1.00 3.30 H new ATOM 0 HE2 MET A 13 7.194 2.090 -9.138 1.00 3.30 H new ATOM 0 HE3 MET A 13 8.328 2.667 -10.383 1.00 3.30 H new ATOM 205 N GLY A 14 3.689 5.782 -9.409 1.00 1.32 N ATOM 206 CA GLY A 14 2.922 6.471 -10.445 1.00 65.43 C ATOM 207 C GLY A 14 2.370 7.825 -9.992 1.00 72.14 C ATOM 208 O GLY A 14 2.171 8.730 -10.803 1.00 40.52 O ATOM 0 H GLY A 14 3.349 4.849 -9.175 1.00 1.32 H new ATOM 0 HA2 GLY A 14 3.557 6.619 -11.319 1.00 65.43 H new ATOM 0 HA3 GLY A 14 2.094 5.835 -10.757 1.00 65.43 H new ATOM 212 N PHE A 15 2.136 7.966 -8.689 1.00 35.33 N ATOM 213 CA PHE A 15 1.621 9.219 -8.119 1.00 72.22 C ATOM 214 C PHE A 15 2.760 10.203 -7.788 1.00 4.33 C ATOM 215 O PHE A 15 2.536 11.405 -7.658 1.00 64.41 O ATOM 216 CB PHE A 15 0.799 8.917 -6.862 1.00 64.33 C ATOM 217 CG PHE A 15 -0.372 8.000 -7.118 1.00 64.32 C ATOM 218 CD1 PHE A 15 -0.214 6.620 -7.080 1.00 63.45 C ATOM 219 CD2 PHE A 15 -1.629 8.515 -7.402 1.00 71.32 C ATOM 220 CE1 PHE A 15 -1.281 5.777 -7.318 1.00 23.22 C ATOM 221 CE2 PHE A 15 -2.700 7.674 -7.641 1.00 33.52 C ATOM 222 CZ PHE A 15 -2.526 6.303 -7.599 1.00 33.42 C ATOM 0 H PHE A 15 2.294 7.228 -8.002 1.00 35.33 H new ATOM 0 HA PHE A 15 0.984 9.693 -8.865 1.00 72.22 H new ATOM 0 HB2 PHE A 15 1.448 8.465 -6.112 1.00 64.33 H new ATOM 0 HB3 PHE A 15 0.432 9.854 -6.443 1.00 64.33 H new ATOM 0 HD1 PHE A 15 0.757 6.201 -6.861 1.00 63.45 H new ATOM 0 HD2 PHE A 15 -1.772 9.585 -7.437 1.00 71.32 H new ATOM 0 HE1 PHE A 15 -1.142 4.707 -7.284 1.00 23.22 H new ATOM 0 HE2 PHE A 15 -3.673 8.088 -7.861 1.00 33.52 H new ATOM 0 HZ PHE A 15 -3.362 5.645 -7.786 1.00 33.42 H new ATOM 232 N GLN A 16 3.980 9.677 -7.662 1.00 24.33 N ATOM 233 CA GLN A 16 5.171 10.495 -7.374 1.00 5.14 C ATOM 234 C GLN A 16 5.559 11.365 -8.584 1.00 42.44 C ATOM 235 O GLN A 16 6.273 12.360 -8.447 1.00 61.52 O ATOM 236 CB GLN A 16 6.337 9.573 -6.969 1.00 70.24 C ATOM 237 CG GLN A 16 7.688 10.273 -6.774 1.00 24.41 C ATOM 238 CD GLN A 16 7.685 11.364 -5.704 1.00 1.21 C ATOM 239 OE1 GLN A 16 8.442 12.324 -5.786 1.00 52.23 O ATOM 240 NE2 GLN A 16 6.859 11.220 -4.688 1.00 45.34 N ATOM 0 H GLN A 16 4.175 8.680 -7.755 1.00 24.33 H new ATOM 0 HA GLN A 16 4.941 11.170 -6.550 1.00 5.14 H new ATOM 0 HB2 GLN A 16 6.072 9.065 -6.041 1.00 70.24 H new ATOM 0 HB3 GLN A 16 6.452 8.803 -7.732 1.00 70.24 H new ATOM 0 HG2 GLN A 16 8.436 9.525 -6.511 1.00 24.41 H new ATOM 0 HG3 GLN A 16 7.996 10.712 -7.723 1.00 24.41 H new ATOM 0 HE21 GLN A 16 6.240 10.411 -4.645 1.00 45.34 H new ATOM 0 HE22 GLN A 16 6.839 11.918 -3.944 1.00 45.34 H new ATOM 249 N ASN A 17 5.078 10.981 -9.766 1.00 52.22 N ATOM 250 CA ASN A 17 5.322 11.750 -10.994 1.00 71.31 C ATOM 251 C ASN A 17 4.790 13.189 -10.857 1.00 13.13 C ATOM 252 O ASN A 17 5.342 14.126 -11.437 1.00 74.45 O ATOM 253 CB ASN A 17 4.657 11.055 -12.192 1.00 64.50 C ATOM 254 CG ASN A 17 5.058 11.672 -13.523 1.00 73.44 C ATOM 255 OD1 ASN A 17 4.427 12.603 -14.013 1.00 61.20 O ATOM 256 ND2 ASN A 17 6.115 11.158 -14.116 1.00 75.13 N ATOM 0 H ASN A 17 4.516 10.141 -9.903 1.00 52.22 H new ATOM 0 HA ASN A 17 6.398 11.797 -11.159 1.00 71.31 H new ATOM 0 HB2 ASN A 17 4.926 9.999 -12.190 1.00 64.50 H new ATOM 0 HB3 ASN A 17 3.574 11.108 -12.083 1.00 64.50 H new ATOM 0 HD21 ASN A 17 6.431 11.534 -15.010 1.00 75.13 H new ATOM 0 HD22 ASN A 17 6.617 10.384 -13.682 1.00 75.13 H new ATOM 263 N ASP A 18 3.716 13.347 -10.078 1.00 10.24 N ATOM 264 CA ASP A 18 3.114 14.661 -9.822 1.00 23.41 C ATOM 265 C ASP A 18 3.182 15.015 -8.323 1.00 24.40 C ATOM 266 O ASP A 18 3.221 14.131 -7.462 1.00 32.43 O ATOM 267 CB ASP A 18 1.653 14.668 -10.290 1.00 12.44 C ATOM 268 CG ASP A 18 1.500 14.228 -11.737 1.00 33.33 C ATOM 269 OD1 ASP A 18 1.773 15.043 -12.645 1.00 32.34 O ATOM 270 OD2 ASP A 18 1.094 13.070 -11.974 1.00 43.23 O ATOM 0 H ASP A 18 3.242 12.575 -9.610 1.00 10.24 H new ATOM 0 HA ASP A 18 3.678 15.409 -10.380 1.00 23.41 H new ATOM 0 HB2 ASP A 18 1.067 14.008 -9.650 1.00 12.44 H new ATOM 0 HB3 ASP A 18 1.243 15.671 -10.174 1.00 12.44 H new ATOM 275 N ASN A 19 3.188 16.308 -8.010 1.00 21.42 N ATOM 276 CA ASN A 19 3.241 16.759 -6.616 1.00 53.31 C ATOM 277 C ASN A 19 1.855 16.694 -5.953 1.00 23.12 C ATOM 278 O ASN A 19 1.114 17.679 -5.919 1.00 52.02 O ATOM 279 CB ASN A 19 3.816 18.178 -6.541 1.00 45.32 C ATOM 280 CG ASN A 19 5.248 18.249 -7.049 1.00 40.31 C ATOM 281 OD1 ASN A 19 5.650 19.219 -7.683 1.00 1.31 O ATOM 282 ND2 ASN A 19 6.041 17.236 -6.752 1.00 71.20 N ATOM 0 H ASN A 19 3.157 17.061 -8.697 1.00 21.42 H new ATOM 0 HA ASN A 19 3.898 16.086 -6.066 1.00 53.31 H new ATOM 0 HB2 ASN A 19 3.191 18.852 -7.127 1.00 45.32 H new ATOM 0 HB3 ASN A 19 3.781 18.527 -5.509 1.00 45.32 H new ATOM 0 HD21 ASN A 19 7.016 17.247 -7.051 1.00 71.20 H new ATOM 0 HD22 ASN A 19 5.679 16.443 -6.223 1.00 71.20 H new ATOM 289 N THR A 20 1.500 15.512 -5.449 1.00 33.04 N ATOM 290 CA THR A 20 0.189 15.283 -4.816 1.00 74.13 C ATOM 291 C THR A 20 0.339 14.610 -3.444 1.00 23.32 C ATOM 292 O THR A 20 1.350 13.961 -3.180 1.00 31.24 O ATOM 293 CB THR A 20 -0.718 14.379 -5.695 1.00 14.41 C ATOM 294 OG1 THR A 20 -0.135 13.071 -5.823 1.00 63.02 O ATOM 295 CG2 THR A 20 -0.930 14.981 -7.083 1.00 72.35 C ATOM 0 H THR A 20 2.103 14.689 -5.464 1.00 33.04 H new ATOM 0 HA THR A 20 -0.269 16.265 -4.700 1.00 74.13 H new ATOM 0 HB THR A 20 -1.688 14.303 -5.203 1.00 14.41 H new ATOM 0 HG1 THR A 20 -0.714 12.507 -6.377 1.00 63.02 H new ATOM 0 HG21 THR A 20 -1.569 14.323 -7.671 1.00 72.35 H new ATOM 0 HG22 THR A 20 -1.405 15.957 -6.987 1.00 72.35 H new ATOM 0 HG23 THR A 20 0.033 15.093 -7.582 1.00 72.35 H new ATOM 303 N PRO A 21 -0.665 14.749 -2.547 1.00 43.10 N ATOM 304 CA PRO A 21 -0.670 14.051 -1.244 1.00 1.13 C ATOM 305 C PRO A 21 -0.437 12.536 -1.380 1.00 72.41 C ATOM 306 O PRO A 21 0.164 11.902 -0.507 1.00 70.22 O ATOM 307 CB PRO A 21 -2.073 14.340 -0.694 1.00 34.00 C ATOM 308 CG PRO A 21 -2.458 15.637 -1.326 1.00 61.24 C ATOM 309 CD PRO A 21 -1.850 15.621 -2.705 1.00 4.34 C ATOM 0 HA PRO A 21 0.136 14.395 -0.595 1.00 1.13 H new ATOM 0 HB2 PRO A 21 -2.774 13.547 -0.955 1.00 34.00 H new ATOM 0 HB3 PRO A 21 -2.066 14.414 0.393 1.00 34.00 H new ATOM 0 HG2 PRO A 21 -3.542 15.740 -1.378 1.00 61.24 H new ATOM 0 HG3 PRO A 21 -2.086 16.481 -0.745 1.00 61.24 H new ATOM 0 HD2 PRO A 21 -2.545 15.225 -3.446 1.00 4.34 H new ATOM 0 HD3 PRO A 21 -1.571 16.622 -3.033 1.00 4.34 H new ATOM 317 N PHE A 22 -0.916 11.967 -2.485 1.00 71.52 N ATOM 318 CA PHE A 22 -0.654 10.563 -2.813 1.00 12.43 C ATOM 319 C PHE A 22 0.825 10.368 -3.176 1.00 12.02 C ATOM 320 O PHE A 22 1.464 9.398 -2.760 1.00 25.31 O ATOM 321 CB PHE A 22 -1.543 10.113 -3.980 1.00 43.33 C ATOM 322 CG PHE A 22 -3.024 10.257 -3.711 1.00 45.42 C ATOM 323 CD1 PHE A 22 -3.690 11.438 -4.016 1.00 13.34 C ATOM 324 CD2 PHE A 22 -3.751 9.213 -3.150 1.00 12.13 C ATOM 325 CE1 PHE A 22 -5.044 11.572 -3.767 1.00 40.11 C ATOM 326 CE2 PHE A 22 -5.103 9.344 -2.900 1.00 54.12 C ATOM 327 CZ PHE A 22 -5.751 10.525 -3.209 1.00 31.20 C ATOM 0 H PHE A 22 -1.490 12.457 -3.171 1.00 71.52 H new ATOM 0 HA PHE A 22 -0.886 9.955 -1.939 1.00 12.43 H new ATOM 0 HB2 PHE A 22 -1.286 10.695 -4.865 1.00 43.33 H new ATOM 0 HB3 PHE A 22 -1.325 9.070 -4.209 1.00 43.33 H new ATOM 0 HD1 PHE A 22 -3.144 12.261 -4.453 1.00 13.34 H new ATOM 0 HD2 PHE A 22 -3.252 8.287 -2.906 1.00 12.13 H new ATOM 0 HE1 PHE A 22 -5.549 12.496 -4.009 1.00 40.11 H new ATOM 0 HE2 PHE A 22 -5.654 8.524 -2.463 1.00 54.12 H new ATOM 0 HZ PHE A 22 -6.808 10.629 -3.014 1.00 31.20 H new ATOM 337 N GLY A 23 1.363 11.305 -3.957 1.00 53.11 N ATOM 338 CA GLY A 23 2.783 11.293 -4.288 1.00 25.04 C ATOM 339 C GLY A 23 3.671 11.466 -3.059 1.00 10.14 C ATOM 340 O GLY A 23 4.787 10.953 -3.015 1.00 35.41 O ATOM 0 H GLY A 23 0.838 12.077 -4.369 1.00 53.11 H new ATOM 0 HA2 GLY A 23 3.030 10.353 -4.781 1.00 25.04 H new ATOM 0 HA3 GLY A 23 2.994 12.091 -5.000 1.00 25.04 H new ATOM 344 N ILE A 24 3.166 12.192 -2.058 1.00 70.05 N ATOM 345 CA ILE A 24 3.870 12.360 -0.781 1.00 21.32 C ATOM 346 C ILE A 24 4.111 11.003 -0.101 1.00 65.24 C ATOM 347 O ILE A 24 5.162 10.774 0.503 1.00 44.22 O ATOM 348 CB ILE A 24 3.082 13.293 0.178 1.00 3.55 C ATOM 349 CG1 ILE A 24 2.947 14.701 -0.431 1.00 41.05 C ATOM 350 CG2 ILE A 24 3.746 13.358 1.554 1.00 60.20 C ATOM 351 CD1 ILE A 24 4.272 15.366 -0.735 1.00 41.23 C ATOM 0 H ILE A 24 2.269 12.675 -2.107 1.00 70.05 H new ATOM 0 HA ILE A 24 4.833 12.820 -1.002 1.00 21.32 H new ATOM 0 HB ILE A 24 2.083 12.877 0.310 1.00 3.55 H new ATOM 0 HG12 ILE A 24 2.365 14.634 -1.350 1.00 41.05 H new ATOM 0 HG13 ILE A 24 2.384 15.332 0.257 1.00 41.05 H new ATOM 0 HG21 ILE A 24 3.172 14.019 2.204 1.00 60.20 H new ATOM 0 HG22 ILE A 24 3.779 12.359 1.990 1.00 60.20 H new ATOM 0 HG23 ILE A 24 4.761 13.742 1.451 1.00 60.20 H new ATOM 0 HD11 ILE A 24 4.094 16.353 -1.161 1.00 41.23 H new ATOM 0 HD12 ILE A 24 4.848 15.466 0.185 1.00 41.23 H new ATOM 0 HD13 ILE A 24 4.829 14.758 -1.448 1.00 41.23 H new ATOM 363 N LEU A 25 3.138 10.102 -0.211 1.00 20.33 N ATOM 364 CA LEU A 25 3.299 8.737 0.290 1.00 74.42 C ATOM 365 C LEU A 25 4.503 8.072 -0.400 1.00 23.41 C ATOM 366 O LEU A 25 5.398 7.539 0.262 1.00 44.34 O ATOM 367 CB LEU A 25 2.000 7.937 0.055 1.00 52.21 C ATOM 368 CG LEU A 25 1.861 6.591 0.805 1.00 50.02 C ATOM 369 CD1 LEU A 25 2.761 5.509 0.208 1.00 35.52 C ATOM 370 CD2 LEU A 25 2.150 6.770 2.296 1.00 4.20 C ATOM 0 H LEU A 25 2.232 10.290 -0.641 1.00 20.33 H new ATOM 0 HA LEU A 25 3.491 8.757 1.363 1.00 74.42 H new ATOM 0 HB2 LEU A 25 1.157 8.569 0.334 1.00 52.21 H new ATOM 0 HB3 LEU A 25 1.911 7.741 -1.013 1.00 52.21 H new ATOM 0 HG LEU A 25 0.830 6.259 0.686 1.00 50.02 H new ATOM 0 HD11 LEU A 25 2.632 4.581 0.764 1.00 35.52 H new ATOM 0 HD12 LEU A 25 2.492 5.347 -0.836 1.00 35.52 H new ATOM 0 HD13 LEU A 25 3.802 5.827 0.269 1.00 35.52 H new ATOM 0 HD21 LEU A 25 2.047 5.811 2.804 1.00 4.20 H new ATOM 0 HD22 LEU A 25 3.166 7.143 2.428 1.00 4.20 H new ATOM 0 HD23 LEU A 25 1.444 7.484 2.720 1.00 4.20 H new ATOM 382 N ALA A 26 4.528 8.140 -1.733 1.00 61.32 N ATOM 383 CA ALA A 26 5.649 7.615 -2.523 1.00 22.15 C ATOM 384 C ALA A 26 6.974 8.301 -2.148 1.00 43.43 C ATOM 385 O ALA A 26 8.027 7.665 -2.110 1.00 33.00 O ATOM 386 CB ALA A 26 5.373 7.784 -4.012 1.00 34.24 C ATOM 0 H ALA A 26 3.782 8.555 -2.292 1.00 61.32 H new ATOM 0 HA ALA A 26 5.746 6.553 -2.296 1.00 22.15 H new ATOM 0 HB1 ALA A 26 6.213 7.390 -4.585 1.00 34.24 H new ATOM 0 HB2 ALA A 26 4.466 7.241 -4.278 1.00 34.24 H new ATOM 0 HB3 ALA A 26 5.242 8.842 -4.240 1.00 34.24 H new ATOM 392 N GLU A 27 6.904 9.598 -1.873 1.00 23.21 N ATOM 393 CA GLU A 27 8.077 10.375 -1.461 1.00 24.10 C ATOM 394 C GLU A 27 8.665 9.838 -0.146 1.00 20.42 C ATOM 395 O GLU A 27 9.853 9.521 -0.062 1.00 72.03 O ATOM 396 CB GLU A 27 7.690 11.852 -1.283 1.00 0.44 C ATOM 397 CG GLU A 27 8.824 12.732 -0.761 1.00 23.42 C ATOM 398 CD GLU A 27 8.364 14.128 -0.371 1.00 31.24 C ATOM 399 OE1 GLU A 27 7.845 14.292 0.754 1.00 10.33 O ATOM 400 OE2 GLU A 27 8.539 15.072 -1.169 1.00 53.12 O ATOM 0 H GLU A 27 6.042 10.141 -1.927 1.00 23.21 H new ATOM 0 HA GLU A 27 8.833 10.283 -2.241 1.00 24.10 H new ATOM 0 HB2 GLU A 27 7.349 12.246 -2.241 1.00 0.44 H new ATOM 0 HB3 GLU A 27 6.848 11.916 -0.594 1.00 0.44 H new ATOM 0 HG2 GLU A 27 9.280 12.251 0.104 1.00 23.42 H new ATOM 0 HG3 GLU A 27 9.596 12.811 -1.526 1.00 23.42 H new ATOM 407 N HIS A 28 7.819 9.722 0.874 1.00 72.22 N ATOM 408 CA HIS A 28 8.277 9.322 2.204 1.00 50.21 C ATOM 409 C HIS A 28 8.732 7.851 2.241 1.00 52.40 C ATOM 410 O HIS A 28 9.652 7.510 2.982 1.00 14.32 O ATOM 411 CB HIS A 28 7.184 9.570 3.253 1.00 70.44 C ATOM 412 CG HIS A 28 7.701 9.506 4.663 1.00 63.41 C ATOM 413 ND1 HIS A 28 7.974 10.629 5.421 1.00 72.45 N ATOM 414 CD2 HIS A 28 8.019 8.448 5.447 1.00 25.52 C ATOM 415 CE1 HIS A 28 8.436 10.262 6.598 1.00 1.55 C ATOM 416 NE2 HIS A 28 8.473 8.948 6.638 1.00 14.41 N ATOM 0 H HIS A 28 6.817 9.898 0.807 1.00 72.22 H new ATOM 0 HA HIS A 28 9.143 9.939 2.444 1.00 50.21 H new ATOM 0 HB2 HIS A 28 6.736 10.549 3.080 1.00 70.44 H new ATOM 0 HB3 HIS A 28 6.393 8.831 3.128 1.00 70.44 H new ATOM 0 HD1 HIS A 28 7.839 11.593 5.116 1.00 72.45 H new ATOM 0 HD2 HIS A 28 7.931 7.405 5.182 1.00 25.52 H new ATOM 0 HE1 HIS A 28 8.734 10.927 7.395 1.00 1.55 H new ATOM 425 N VAL A 29 8.095 6.976 1.463 1.00 70.41 N ATOM 426 CA VAL A 29 8.550 5.580 1.378 1.00 43.22 C ATOM 427 C VAL A 29 9.865 5.477 0.584 1.00 60.31 C ATOM 428 O VAL A 29 10.669 4.577 0.813 1.00 35.23 O ATOM 429 CB VAL A 29 7.487 4.638 0.753 1.00 63.31 C ATOM 430 CG1 VAL A 29 6.195 4.663 1.569 1.00 42.23 C ATOM 431 CG2 VAL A 29 7.220 4.991 -0.708 1.00 31.10 C ATOM 0 H VAL A 29 7.279 7.198 0.892 1.00 70.41 H new ATOM 0 HA VAL A 29 8.717 5.252 2.404 1.00 43.22 H new ATOM 0 HB VAL A 29 7.885 3.624 0.777 1.00 63.31 H new ATOM 0 HG11 VAL A 29 5.464 3.996 1.113 1.00 42.23 H new ATOM 0 HG12 VAL A 29 6.401 4.334 2.587 1.00 42.23 H new ATOM 0 HG13 VAL A 29 5.797 5.678 1.589 1.00 42.23 H new ATOM 0 HG21 VAL A 29 6.471 4.312 -1.115 1.00 31.10 H new ATOM 0 HG22 VAL A 29 6.855 6.016 -0.774 1.00 31.10 H new ATOM 0 HG23 VAL A 29 8.143 4.897 -1.280 1.00 31.10 H new ATOM 441 N SER A 30 10.075 6.405 -0.351 1.00 23.43 N ATOM 442 CA SER A 30 11.356 6.508 -1.066 1.00 30.43 C ATOM 443 C SER A 30 12.439 7.103 -0.153 1.00 35.55 C ATOM 444 O SER A 30 13.633 6.911 -0.375 1.00 65.41 O ATOM 445 CB SER A 30 11.202 7.377 -2.325 1.00 41.25 C ATOM 446 OG SER A 30 12.403 7.416 -3.090 1.00 53.24 O ATOM 0 H SER A 30 9.379 7.096 -0.633 1.00 23.43 H new ATOM 0 HA SER A 30 11.659 5.504 -1.364 1.00 30.43 H new ATOM 0 HB2 SER A 30 10.392 6.986 -2.940 1.00 41.25 H new ATOM 0 HB3 SER A 30 10.922 8.390 -2.036 1.00 41.25 H new ATOM 0 HG SER A 30 12.268 7.976 -3.883 1.00 53.24 H new ATOM 452 N GLU A 31 12.002 7.846 0.865 1.00 74.40 N ATOM 453 CA GLU A 31 12.904 8.407 1.881 1.00 71.44 C ATOM 454 C GLU A 31 13.536 7.291 2.735 1.00 32.04 C ATOM 455 O GLU A 31 14.660 7.420 3.232 1.00 45.35 O ATOM 456 CB GLU A 31 12.120 9.381 2.770 1.00 21.53 C ATOM 457 CG GLU A 31 12.966 10.130 3.791 1.00 63.11 C ATOM 458 CD GLU A 31 12.130 11.049 4.669 1.00 70.44 C ATOM 459 OE1 GLU A 31 11.530 12.005 4.135 1.00 54.53 O ATOM 460 OE2 GLU A 31 12.058 10.814 5.894 1.00 4.32 O ATOM 0 H GLU A 31 11.019 8.077 1.011 1.00 74.40 H new ATOM 0 HA GLU A 31 13.712 8.940 1.380 1.00 71.44 H new ATOM 0 HB2 GLU A 31 11.615 10.107 2.133 1.00 21.53 H new ATOM 0 HB3 GLU A 31 11.344 8.826 3.298 1.00 21.53 H new ATOM 0 HG2 GLU A 31 13.494 9.412 4.419 1.00 63.11 H new ATOM 0 HG3 GLU A 31 13.723 10.717 3.272 1.00 63.11 H new ATOM 467 N ASP A 32 12.795 6.197 2.908 1.00 51.42 N ATOM 468 CA ASP A 32 13.318 4.994 3.560 1.00 55.43 C ATOM 469 C ASP A 32 14.245 4.227 2.597 1.00 11.22 C ATOM 470 O ASP A 32 14.304 4.527 1.404 1.00 41.05 O ATOM 471 CB ASP A 32 12.152 4.107 4.033 1.00 24.50 C ATOM 472 CG ASP A 32 12.614 2.777 4.610 1.00 32.51 C ATOM 473 OD1 ASP A 32 13.219 2.769 5.703 1.00 53.41 O ATOM 474 OD2 ASP A 32 12.410 1.739 3.956 1.00 72.22 O ATOM 0 H ASP A 32 11.825 6.118 2.604 1.00 51.42 H new ATOM 0 HA ASP A 32 13.904 5.283 4.432 1.00 55.43 H new ATOM 0 HB2 ASP A 32 11.577 4.644 4.787 1.00 24.50 H new ATOM 0 HB3 ASP A 32 11.481 3.920 3.194 1.00 24.50 H new ATOM 479 N LYS A 33 14.973 3.246 3.120 1.00 1.03 N ATOM 480 CA LYS A 33 15.906 2.451 2.313 1.00 25.43 C ATOM 481 C LYS A 33 15.190 1.690 1.179 1.00 43.15 C ATOM 482 O LYS A 33 15.810 1.342 0.174 1.00 22.53 O ATOM 483 CB LYS A 33 16.683 1.492 3.224 1.00 43.33 C ATOM 484 CG LYS A 33 17.563 2.225 4.233 1.00 22.14 C ATOM 485 CD LYS A 33 18.228 1.281 5.231 1.00 13.43 C ATOM 486 CE LYS A 33 17.213 0.611 6.154 1.00 74.13 C ATOM 487 NZ LYS A 33 17.878 -0.142 7.247 1.00 15.32 N ATOM 0 H LYS A 33 14.938 2.978 4.103 1.00 1.03 H new ATOM 0 HA LYS A 33 16.607 3.132 1.831 1.00 25.43 H new ATOM 0 HB2 LYS A 33 15.979 0.853 3.758 1.00 43.33 H new ATOM 0 HB3 LYS A 33 17.305 0.839 2.612 1.00 43.33 H new ATOM 0 HG2 LYS A 33 18.332 2.784 3.700 1.00 22.14 H new ATOM 0 HG3 LYS A 33 16.959 2.953 4.775 1.00 22.14 H new ATOM 0 HD2 LYS A 33 18.785 0.516 4.690 1.00 13.43 H new ATOM 0 HD3 LYS A 33 18.950 1.837 5.830 1.00 13.43 H new ATOM 0 HE2 LYS A 33 16.555 1.368 6.581 1.00 74.13 H new ATOM 0 HE3 LYS A 33 16.586 -0.067 5.575 1.00 74.13 H new ATOM 0 HZ1 LYS A 33 17.157 -0.583 7.853 1.00 15.32 H new ATOM 0 HZ2 LYS A 33 18.487 -0.880 6.840 1.00 15.32 H new ATOM 0 HZ3 LYS A 33 18.457 0.509 7.815 1.00 15.32 H new ATOM 501 N ALA A 34 13.893 1.419 1.359 1.00 75.12 N ATOM 502 CA ALA A 34 13.039 0.850 0.296 1.00 12.24 C ATOM 503 C ALA A 34 13.616 -0.437 -0.331 1.00 62.35 C ATOM 504 O ALA A 34 13.274 -0.800 -1.461 1.00 61.45 O ATOM 505 CB ALA A 34 12.800 1.897 -0.789 1.00 15.14 C ATOM 0 H ALA A 34 13.402 1.584 2.238 1.00 75.12 H new ATOM 0 HA ALA A 34 12.097 0.569 0.767 1.00 12.24 H new ATOM 0 HB1 ALA A 34 12.170 1.473 -1.571 1.00 15.14 H new ATOM 0 HB2 ALA A 34 12.304 2.765 -0.354 1.00 15.14 H new ATOM 0 HB3 ALA A 34 13.755 2.201 -1.218 1.00 15.14 H new ATOM 511 N PHE A 35 14.485 -1.122 0.404 1.00 4.11 N ATOM 512 CA PHE A 35 15.087 -2.380 -0.054 1.00 54.45 C ATOM 513 C PHE A 35 14.467 -3.564 0.711 1.00 43.31 C ATOM 514 O PHE A 35 14.220 -3.445 1.909 1.00 23.43 O ATOM 515 CB PHE A 35 16.611 -2.331 0.167 1.00 53.00 C ATOM 516 CG PHE A 35 17.370 -3.489 -0.440 1.00 24.51 C ATOM 517 CD1 PHE A 35 17.829 -3.422 -1.749 1.00 2.12 C ATOM 518 CD2 PHE A 35 17.626 -4.641 0.293 1.00 41.01 C ATOM 519 CE1 PHE A 35 18.524 -4.475 -2.312 1.00 61.34 C ATOM 520 CE2 PHE A 35 18.321 -5.696 -0.268 1.00 30.31 C ATOM 521 CZ PHE A 35 18.771 -5.614 -1.571 1.00 25.15 C ATOM 0 H PHE A 35 14.794 -0.827 1.330 1.00 4.11 H new ATOM 0 HA PHE A 35 14.890 -2.514 -1.118 1.00 54.45 H new ATOM 0 HB2 PHE A 35 16.996 -1.401 -0.251 1.00 53.00 H new ATOM 0 HB3 PHE A 35 16.809 -2.305 1.238 1.00 53.00 H new ATOM 0 HD1 PHE A 35 17.640 -2.535 -2.335 1.00 2.12 H new ATOM 0 HD2 PHE A 35 17.278 -4.713 1.313 1.00 41.01 H new ATOM 0 HE1 PHE A 35 18.874 -4.407 -3.331 1.00 61.34 H new ATOM 0 HE2 PHE A 35 18.512 -6.586 0.314 1.00 30.31 H new ATOM 0 HZ PHE A 35 19.314 -6.438 -2.009 1.00 25.15 H new ATOM 531 N PRO A 36 14.197 -4.708 0.029 1.00 42.43 N ATOM 532 CA PRO A 36 13.601 -5.908 0.646 1.00 42.41 C ATOM 533 C PRO A 36 13.977 -6.127 2.129 1.00 44.01 C ATOM 534 O PRO A 36 15.004 -6.727 2.457 1.00 44.42 O ATOM 535 CB PRO A 36 14.156 -7.023 -0.239 1.00 34.02 C ATOM 536 CG PRO A 36 14.214 -6.414 -1.605 1.00 52.34 C ATOM 537 CD PRO A 36 14.436 -4.925 -1.414 1.00 4.25 C ATOM 0 HA PRO A 36 12.514 -5.846 0.687 1.00 42.41 H new ATOM 0 HB2 PRO A 36 15.142 -7.344 0.096 1.00 34.02 H new ATOM 0 HB3 PRO A 36 13.512 -7.902 -0.222 1.00 34.02 H new ATOM 0 HG2 PRO A 36 15.022 -6.853 -2.190 1.00 52.34 H new ATOM 0 HG3 PRO A 36 13.289 -6.600 -2.150 1.00 52.34 H new ATOM 0 HD2 PRO A 36 15.447 -4.633 -1.699 1.00 4.25 H new ATOM 0 HD3 PRO A 36 13.750 -4.338 -2.025 1.00 4.25 H new ATOM 545 N ARG A 37 13.141 -5.584 3.008 1.00 32.53 N ATOM 546 CA ARG A 37 13.279 -5.735 4.460 1.00 41.21 C ATOM 547 C ARG A 37 12.162 -6.643 5.005 1.00 13.33 C ATOM 548 O ARG A 37 12.426 -7.688 5.601 1.00 0.33 O ATOM 549 CB ARG A 37 13.221 -4.338 5.101 1.00 22.30 C ATOM 550 CG ARG A 37 13.081 -4.311 6.621 1.00 64.45 C ATOM 551 CD ARG A 37 12.933 -2.873 7.122 1.00 20.05 C ATOM 552 NE ARG A 37 11.967 -2.136 6.312 1.00 33.14 N ATOM 553 CZ ARG A 37 12.089 -0.889 5.953 1.00 54.24 C ATOM 554 NH1 ARG A 37 13.033 -0.136 6.429 1.00 4.32 N ATOM 555 NH2 ARG A 37 11.245 -0.396 5.114 1.00 32.03 N ATOM 0 H ARG A 37 12.337 -5.019 2.733 1.00 32.53 H new ATOM 0 HA ARG A 37 14.232 -6.203 4.704 1.00 41.21 H new ATOM 0 HB2 ARG A 37 14.126 -3.796 4.829 1.00 22.30 H new ATOM 0 HB3 ARG A 37 12.381 -3.794 4.668 1.00 22.30 H new ATOM 0 HG2 ARG A 37 12.213 -4.898 6.922 1.00 64.45 H new ATOM 0 HG3 ARG A 37 13.954 -4.774 7.080 1.00 64.45 H new ATOM 0 HD2 ARG A 37 12.612 -2.878 8.164 1.00 20.05 H new ATOM 0 HD3 ARG A 37 13.900 -2.371 7.089 1.00 20.05 H new ATOM 0 HE ARG A 37 11.133 -2.635 6.004 1.00 33.14 H new ATOM 0 HH11 ARG A 37 13.700 -0.517 7.100 1.00 4.32 H new ATOM 0 HH12 ARG A 37 13.108 0.837 6.132 1.00 4.32 H new ATOM 0 HH21 ARG A 37 10.496 -0.980 4.742 1.00 32.03 H new ATOM 0 HH22 ARG A 37 11.326 0.578 4.822 1.00 32.03 H new ATOM 569 N LEU A 38 10.912 -6.229 4.793 1.00 63.13 N ATOM 570 CA LEU A 38 9.744 -7.061 5.119 1.00 40.33 C ATOM 571 C LEU A 38 8.522 -6.631 4.278 1.00 23.20 C ATOM 572 O LEU A 38 7.386 -7.027 4.548 1.00 53.14 O ATOM 573 CB LEU A 38 9.425 -6.976 6.625 1.00 14.22 C ATOM 574 CG LEU A 38 8.415 -8.017 7.145 1.00 70.20 C ATOM 575 CD1 LEU A 38 8.924 -9.435 6.901 1.00 32.45 C ATOM 576 CD2 LEU A 38 8.125 -7.795 8.626 1.00 1.42 C ATOM 0 H LEU A 38 10.678 -5.319 4.395 1.00 63.13 H new ATOM 0 HA LEU A 38 9.979 -8.097 4.876 1.00 40.33 H new ATOM 0 HB2 LEU A 38 10.355 -7.086 7.183 1.00 14.22 H new ATOM 0 HB3 LEU A 38 9.039 -5.980 6.842 1.00 14.22 H new ATOM 0 HG LEU A 38 7.484 -7.891 6.593 1.00 70.20 H new ATOM 0 HD11 LEU A 38 8.195 -10.153 7.276 1.00 32.45 H new ATOM 0 HD12 LEU A 38 9.069 -9.590 5.832 1.00 32.45 H new ATOM 0 HD13 LEU A 38 9.872 -9.576 7.420 1.00 32.45 H new ATOM 0 HD21 LEU A 38 7.410 -8.541 8.972 1.00 1.42 H new ATOM 0 HD22 LEU A 38 9.050 -7.887 9.196 1.00 1.42 H new ATOM 0 HD23 LEU A 38 7.708 -6.798 8.770 1.00 1.42 H new ATOM 588 N GLU A 39 8.781 -5.854 3.227 1.00 70.41 N ATOM 589 CA GLU A 39 7.722 -5.286 2.374 1.00 63.02 C ATOM 590 C GLU A 39 7.107 -6.334 1.424 1.00 34.00 C ATOM 591 O GLU A 39 6.260 -6.008 0.591 1.00 62.13 O ATOM 592 CB GLU A 39 8.276 -4.100 1.559 1.00 11.41 C ATOM 593 CG GLU A 39 8.736 -2.901 2.398 1.00 40.30 C ATOM 594 CD GLU A 39 9.878 -3.236 3.350 1.00 1.40 C ATOM 595 OE1 GLU A 39 10.801 -3.973 2.938 1.00 62.34 O ATOM 596 OE2 GLU A 39 9.856 -2.777 4.513 1.00 63.51 O ATOM 0 H GLU A 39 9.725 -5.598 2.938 1.00 70.41 H new ATOM 0 HA GLU A 39 6.928 -4.940 3.036 1.00 63.02 H new ATOM 0 HB2 GLU A 39 9.117 -4.450 0.960 1.00 11.41 H new ATOM 0 HB3 GLU A 39 7.507 -3.765 0.863 1.00 11.41 H new ATOM 0 HG2 GLU A 39 9.051 -2.099 1.731 1.00 40.30 H new ATOM 0 HG3 GLU A 39 7.891 -2.523 2.974 1.00 40.30 H new ATOM 603 N GLU A 40 7.541 -7.590 1.548 1.00 44.32 N ATOM 604 CA GLU A 40 6.963 -8.694 0.771 1.00 1.32 C ATOM 605 C GLU A 40 5.506 -8.948 1.183 1.00 10.34 C ATOM 606 O GLU A 40 4.682 -9.399 0.382 1.00 13.34 O ATOM 607 CB GLU A 40 7.769 -9.985 0.988 1.00 23.53 C ATOM 608 CG GLU A 40 9.261 -9.866 0.697 1.00 13.54 C ATOM 609 CD GLU A 40 9.991 -11.183 0.922 1.00 43.01 C ATOM 610 OE1 GLU A 40 10.145 -11.587 2.095 1.00 20.12 O ATOM 611 OE2 GLU A 40 10.379 -11.838 -0.070 1.00 21.10 O ATOM 0 H GLU A 40 8.292 -7.870 2.179 1.00 44.32 H new ATOM 0 HA GLU A 40 6.998 -8.410 -0.281 1.00 1.32 H new ATOM 0 HB2 GLU A 40 7.640 -10.308 2.021 1.00 23.53 H new ATOM 0 HB3 GLU A 40 7.351 -10.768 0.355 1.00 23.53 H new ATOM 0 HG2 GLU A 40 9.405 -9.543 -0.334 1.00 13.54 H new ATOM 0 HG3 GLU A 40 9.695 -9.097 1.336 1.00 13.54 H new ATOM 618 N ARG A 41 5.203 -8.656 2.445 1.00 20.32 N ATOM 619 CA ARG A 41 3.885 -8.931 3.018 1.00 22.23 C ATOM 620 C ARG A 41 2.876 -7.816 2.698 1.00 54.34 C ATOM 621 O ARG A 41 3.053 -6.667 3.101 1.00 70.24 O ATOM 622 CB ARG A 41 4.008 -9.103 4.536 1.00 14.52 C ATOM 623 CG ARG A 41 4.940 -10.237 4.964 1.00 4.24 C ATOM 624 CD ARG A 41 4.491 -11.584 4.407 1.00 4.33 C ATOM 625 NE ARG A 41 3.120 -11.905 4.799 1.00 31.32 N ATOM 626 CZ ARG A 41 2.418 -12.877 4.281 1.00 54.02 C ATOM 627 NH1 ARG A 41 2.923 -13.651 3.374 1.00 74.42 N ATOM 628 NH2 ARG A 41 1.203 -13.079 4.679 1.00 11.30 N ATOM 0 H ARG A 41 5.858 -8.225 3.097 1.00 20.32 H new ATOM 0 HA ARG A 41 3.512 -9.851 2.569 1.00 22.23 H new ATOM 0 HB2 ARG A 41 4.368 -8.169 4.968 1.00 14.52 H new ATOM 0 HB3 ARG A 41 3.017 -9.286 4.951 1.00 14.52 H new ATOM 0 HG2 ARG A 41 5.953 -10.023 4.623 1.00 4.24 H new ATOM 0 HG3 ARG A 41 4.974 -10.287 6.052 1.00 4.24 H new ATOM 0 HD2 ARG A 41 4.564 -11.570 3.320 1.00 4.33 H new ATOM 0 HD3 ARG A 41 5.163 -12.366 4.762 1.00 4.33 H new ATOM 0 HE ARG A 41 2.684 -11.334 5.523 1.00 31.32 H new ATOM 0 HH11 ARG A 41 3.881 -13.506 3.055 1.00 74.42 H new ATOM 0 HH12 ARG A 41 2.363 -14.406 2.978 1.00 74.42 H new ATOM 0 HH21 ARG A 41 0.795 -12.479 5.396 1.00 11.30 H new ATOM 0 HH22 ARG A 41 0.654 -13.838 4.275 1.00 11.30 H new ATOM 642 N HIS A 42 1.795 -8.176 2.012 1.00 31.41 N ATOM 643 CA HIS A 42 0.765 -7.211 1.602 1.00 30.55 C ATOM 644 C HIS A 42 -0.228 -6.921 2.744 1.00 61.23 C ATOM 645 O HIS A 42 -1.373 -6.534 2.505 1.00 51.55 O ATOM 646 CB HIS A 42 0.011 -7.754 0.383 1.00 14.21 C ATOM 647 CG HIS A 42 0.912 -8.232 -0.714 1.00 51.14 C ATOM 648 ND1 HIS A 42 1.099 -9.566 -1.005 1.00 34.44 N ATOM 649 CD2 HIS A 42 1.693 -7.550 -1.586 1.00 30.10 C ATOM 650 CE1 HIS A 42 1.954 -9.682 -2.000 1.00 51.42 C ATOM 651 NE2 HIS A 42 2.332 -8.476 -2.374 1.00 21.51 N ATOM 0 H HIS A 42 1.604 -9.136 1.724 1.00 31.41 H new ATOM 0 HA HIS A 42 1.261 -6.275 1.346 1.00 30.55 H new ATOM 0 HB2 HIS A 42 -0.630 -8.576 0.700 1.00 14.21 H new ATOM 0 HB3 HIS A 42 -0.641 -6.973 -0.008 1.00 14.21 H new ATOM 0 HD2 HIS A 42 1.794 -6.477 -1.650 1.00 30.10 H new ATOM 0 HE1 HIS A 42 2.290 -10.611 -2.437 1.00 51.42 H new ATOM 0 HE2 HIS A 42 2.990 -8.265 -3.124 1.00 21.51 H new ATOM 660 N GLN A 43 0.225 -7.094 3.986 1.00 42.35 N ATOM 661 CA GLN A 43 -0.633 -6.932 5.168 1.00 51.20 C ATOM 662 C GLN A 43 0.035 -6.031 6.221 1.00 51.51 C ATOM 663 O GLN A 43 -0.466 -4.951 6.535 1.00 15.43 O ATOM 664 CB GLN A 43 -0.942 -8.308 5.779 1.00 21.12 C ATOM 665 CG GLN A 43 -1.629 -9.277 4.820 1.00 10.11 C ATOM 666 CD GLN A 43 -1.593 -10.719 5.301 1.00 2.31 C ATOM 667 OE1 GLN A 43 -0.652 -11.148 5.966 1.00 61.04 O ATOM 668 NE2 GLN A 43 -2.616 -11.478 4.973 1.00 75.31 N ATOM 0 H GLN A 43 1.188 -7.348 4.204 1.00 42.35 H new ATOM 0 HA GLN A 43 -1.561 -6.455 4.853 1.00 51.20 H new ATOM 0 HB2 GLN A 43 -0.011 -8.756 6.126 1.00 21.12 H new ATOM 0 HB3 GLN A 43 -1.576 -8.170 6.655 1.00 21.12 H new ATOM 0 HG2 GLN A 43 -2.666 -8.971 4.685 1.00 10.11 H new ATOM 0 HG3 GLN A 43 -1.149 -9.214 3.844 1.00 10.11 H new ATOM 0 HE21 GLN A 43 -3.381 -11.092 4.420 1.00 75.31 H new ATOM 0 HE22 GLN A 43 -2.644 -12.453 5.272 1.00 75.31 H new ATOM 677 N VAL A 44 1.188 -6.474 6.742 1.00 34.34 N ATOM 678 CA VAL A 44 1.908 -5.743 7.803 1.00 2.42 C ATOM 679 C VAL A 44 2.182 -4.269 7.439 1.00 72.40 C ATOM 680 O VAL A 44 2.267 -3.412 8.322 1.00 0.22 O ATOM 681 CB VAL A 44 3.251 -6.432 8.156 1.00 11.43 C ATOM 682 CG1 VAL A 44 3.016 -7.846 8.683 1.00 31.13 C ATOM 683 CG2 VAL A 44 4.192 -6.443 6.952 1.00 41.31 C ATOM 0 H VAL A 44 1.646 -7.337 6.447 1.00 34.34 H new ATOM 0 HA VAL A 44 1.246 -5.762 8.669 1.00 2.42 H new ATOM 0 HB VAL A 44 3.729 -5.855 8.948 1.00 11.43 H new ATOM 0 HG11 VAL A 44 3.973 -8.308 8.924 1.00 31.13 H new ATOM 0 HG12 VAL A 44 2.399 -7.802 9.580 1.00 31.13 H new ATOM 0 HG13 VAL A 44 2.508 -8.438 7.922 1.00 31.13 H new ATOM 0 HG21 VAL A 44 5.127 -6.932 7.226 1.00 41.31 H new ATOM 0 HG22 VAL A 44 3.725 -6.986 6.130 1.00 41.31 H new ATOM 0 HG23 VAL A 44 4.396 -5.419 6.640 1.00 41.31 H new ATOM 693 N ILE A 45 2.322 -3.977 6.142 1.00 34.43 N ATOM 694 CA ILE A 45 2.539 -2.599 5.671 1.00 3.44 C ATOM 695 C ILE A 45 1.443 -1.657 6.206 1.00 35.21 C ATOM 696 O ILE A 45 1.705 -0.499 6.544 1.00 73.44 O ATOM 697 CB ILE A 45 2.564 -2.533 4.118 1.00 63.21 C ATOM 698 CG1 ILE A 45 3.641 -3.480 3.554 1.00 21.21 C ATOM 699 CG2 ILE A 45 2.797 -1.099 3.636 1.00 72.52 C ATOM 700 CD1 ILE A 45 5.049 -3.141 3.995 1.00 5.21 C ATOM 0 H ILE A 45 2.289 -4.674 5.398 1.00 34.43 H new ATOM 0 HA ILE A 45 3.507 -2.275 6.052 1.00 3.44 H new ATOM 0 HB ILE A 45 1.592 -2.859 3.748 1.00 63.21 H new ATOM 0 HG12 ILE A 45 3.410 -4.500 3.861 1.00 21.21 H new ATOM 0 HG13 ILE A 45 3.597 -3.457 2.465 1.00 21.21 H new ATOM 0 HG21 ILE A 45 2.810 -1.079 2.546 1.00 72.52 H new ATOM 0 HG22 ILE A 45 1.995 -0.458 4.001 1.00 72.52 H new ATOM 0 HG23 ILE A 45 3.752 -0.738 4.017 1.00 72.52 H new ATOM 0 HD11 ILE A 45 5.749 -3.853 3.557 1.00 5.21 H new ATOM 0 HD12 ILE A 45 5.301 -2.133 3.664 1.00 5.21 H new ATOM 0 HD13 ILE A 45 5.112 -3.193 5.082 1.00 5.21 H new ATOM 712 N ARG A 46 0.223 -2.184 6.302 1.00 63.02 N ATOM 713 CA ARG A 46 -0.911 -1.451 6.868 1.00 24.10 C ATOM 714 C ARG A 46 -0.624 -1.046 8.323 1.00 35.54 C ATOM 715 O ARG A 46 -0.954 0.060 8.751 1.00 52.14 O ATOM 716 CB ARG A 46 -2.172 -2.331 6.801 1.00 42.20 C ATOM 717 CG ARG A 46 -3.467 -1.602 7.146 1.00 14.34 C ATOM 718 CD ARG A 46 -4.669 -2.547 7.131 1.00 43.43 C ATOM 719 NE ARG A 46 -4.747 -3.327 5.892 1.00 44.22 N ATOM 720 CZ ARG A 46 -5.613 -3.112 4.936 1.00 13.12 C ATOM 721 NH1 ARG A 46 -6.501 -2.180 5.046 1.00 4.35 N ATOM 722 NH2 ARG A 46 -5.600 -3.848 3.874 1.00 54.12 N ATOM 0 H ARG A 46 -0.008 -3.128 5.991 1.00 63.02 H new ATOM 0 HA ARG A 46 -1.070 -0.542 6.288 1.00 24.10 H new ATOM 0 HB2 ARG A 46 -2.259 -2.745 5.796 1.00 42.20 H new ATOM 0 HB3 ARG A 46 -2.050 -3.172 7.483 1.00 42.20 H new ATOM 0 HG2 ARG A 46 -3.376 -1.145 8.131 1.00 14.34 H new ATOM 0 HG3 ARG A 46 -3.631 -0.794 6.433 1.00 14.34 H new ATOM 0 HD2 ARG A 46 -4.606 -3.226 7.982 1.00 43.43 H new ATOM 0 HD3 ARG A 46 -5.585 -1.969 7.252 1.00 43.43 H new ATOM 0 HE ARG A 46 -4.081 -4.089 5.767 1.00 44.22 H new ATOM 0 HH11 ARG A 46 -6.532 -1.602 5.886 1.00 4.35 H new ATOM 0 HH12 ARG A 46 -7.171 -2.022 4.293 1.00 4.35 H new ATOM 0 HH21 ARG A 46 -4.914 -4.597 3.781 1.00 54.12 H new ATOM 0 HH22 ARG A 46 -6.276 -3.680 3.129 1.00 54.12 H new ATOM 736 N ALA A 47 0.008 -1.951 9.072 1.00 23.01 N ATOM 737 CA ALA A 47 0.370 -1.693 10.470 1.00 40.01 C ATOM 738 C ALA A 47 1.549 -0.712 10.583 1.00 1.20 C ATOM 739 O ALA A 47 1.531 0.191 11.420 1.00 63.34 O ATOM 740 CB ALA A 47 0.700 -3.004 11.178 1.00 41.23 C ATOM 0 H ALA A 47 0.282 -2.874 8.734 1.00 23.01 H new ATOM 0 HA ALA A 47 -0.489 -1.230 10.955 1.00 40.01 H new ATOM 0 HB1 ALA A 47 0.967 -2.800 12.215 1.00 41.23 H new ATOM 0 HB2 ALA A 47 -0.169 -3.662 11.150 1.00 41.23 H new ATOM 0 HB3 ALA A 47 1.538 -3.488 10.676 1.00 41.23 H new ATOM 746 N TYR A 48 2.566 -0.888 9.731 1.00 34.22 N ATOM 747 CA TYR A 48 3.756 -0.017 9.738 1.00 34.42 C ATOM 748 C TYR A 48 3.383 1.475 9.706 1.00 4.10 C ATOM 749 O TYR A 48 3.788 2.245 10.583 1.00 4.24 O ATOM 750 CB TYR A 48 4.673 -0.340 8.546 1.00 10.51 C ATOM 751 CG TYR A 48 5.613 -1.512 8.777 1.00 62.42 C ATOM 752 CD1 TYR A 48 6.778 -1.350 9.518 1.00 20.32 C ATOM 753 CD2 TYR A 48 5.347 -2.769 8.245 1.00 14.34 C ATOM 754 CE1 TYR A 48 7.647 -2.403 9.724 1.00 13.14 C ATOM 755 CE2 TYR A 48 6.214 -3.826 8.446 1.00 20.34 C ATOM 756 CZ TYR A 48 7.361 -3.638 9.185 1.00 51.52 C ATOM 757 OH TYR A 48 8.229 -4.688 9.380 1.00 42.32 O ATOM 0 H TYR A 48 2.592 -1.625 9.026 1.00 34.22 H new ATOM 0 HA TYR A 48 4.284 -0.214 10.671 1.00 34.42 H new ATOM 0 HB2 TYR A 48 4.054 -0.553 7.674 1.00 10.51 H new ATOM 0 HB3 TYR A 48 5.265 0.544 8.309 1.00 10.51 H new ATOM 0 HD1 TYR A 48 7.008 -0.383 9.940 1.00 20.32 H new ATOM 0 HD2 TYR A 48 4.448 -2.922 7.666 1.00 14.34 H new ATOM 0 HE1 TYR A 48 8.546 -2.259 10.305 1.00 13.14 H new ATOM 0 HE2 TYR A 48 5.993 -4.796 8.025 1.00 20.34 H new ATOM 0 HH TYR A 48 8.690 -4.576 10.237 1.00 42.32 H new ATOM 767 N VAL A 49 2.607 1.875 8.701 1.00 3.42 N ATOM 768 CA VAL A 49 2.228 3.283 8.533 1.00 34.34 C ATOM 769 C VAL A 49 1.471 3.832 9.755 1.00 42.34 C ATOM 770 O VAL A 49 1.700 4.963 10.178 1.00 33.40 O ATOM 771 CB VAL A 49 1.384 3.500 7.249 1.00 35.30 C ATOM 772 CG1 VAL A 49 2.203 3.163 6.003 1.00 51.43 C ATOM 773 CG2 VAL A 49 0.096 2.676 7.288 1.00 52.22 C ATOM 0 H VAL A 49 2.227 1.249 7.991 1.00 3.42 H new ATOM 0 HA VAL A 49 3.161 3.838 8.436 1.00 34.34 H new ATOM 0 HB VAL A 49 1.106 4.553 7.205 1.00 35.30 H new ATOM 0 HG11 VAL A 49 1.594 3.322 5.113 1.00 51.43 H new ATOM 0 HG12 VAL A 49 3.082 3.806 5.960 1.00 51.43 H new ATOM 0 HG13 VAL A 49 2.518 2.120 6.046 1.00 51.43 H new ATOM 0 HG21 VAL A 49 -0.474 2.849 6.375 1.00 52.22 H new ATOM 0 HG22 VAL A 49 0.344 1.617 7.366 1.00 52.22 H new ATOM 0 HG23 VAL A 49 -0.501 2.974 8.150 1.00 52.22 H new ATOM 783 N MET A 50 0.591 3.021 10.339 1.00 33.42 N ATOM 784 CA MET A 50 -0.205 3.452 11.497 1.00 0.32 C ATOM 785 C MET A 50 0.626 3.467 12.793 1.00 32.33 C ATOM 786 O MET A 50 0.416 4.312 13.664 1.00 22.04 O ATOM 787 CB MET A 50 -1.426 2.539 11.670 1.00 4.14 C ATOM 788 CG MET A 50 -2.365 2.533 10.467 1.00 14.10 C ATOM 789 SD MET A 50 -3.849 1.542 10.737 1.00 20.14 S ATOM 790 CE MET A 50 -3.145 -0.076 11.067 1.00 2.31 C ATOM 0 H MET A 50 0.408 2.065 10.034 1.00 33.42 H new ATOM 0 HA MET A 50 -0.537 4.472 11.303 1.00 0.32 H new ATOM 0 HB2 MET A 50 -1.084 1.521 11.857 1.00 4.14 H new ATOM 0 HB3 MET A 50 -1.983 2.855 12.552 1.00 4.14 H new ATOM 0 HG2 MET A 50 -2.656 3.557 10.235 1.00 14.10 H new ATOM 0 HG3 MET A 50 -1.831 2.149 9.598 1.00 14.10 H new ATOM 0 HE1 MET A 50 -3.947 -0.798 11.217 1.00 2.31 H new ATOM 0 HE2 MET A 50 -2.532 -0.385 10.221 1.00 2.31 H new ATOM 0 HE3 MET A 50 -2.528 -0.028 11.964 1.00 2.31 H new ATOM 800 N SER A 51 1.580 2.544 12.903 1.00 25.52 N ATOM 801 CA SER A 51 2.417 2.416 14.109 1.00 63.22 C ATOM 802 C SER A 51 3.504 3.497 14.177 1.00 74.13 C ATOM 803 O SER A 51 4.200 3.625 15.188 1.00 54.41 O ATOM 804 CB SER A 51 3.076 1.026 14.153 1.00 15.51 C ATOM 805 OG SER A 51 3.909 0.871 15.298 1.00 14.25 O ATOM 0 H SER A 51 1.798 1.868 12.171 1.00 25.52 H new ATOM 0 HA SER A 51 1.761 2.545 14.970 1.00 63.22 H new ATOM 0 HB2 SER A 51 2.303 0.257 14.159 1.00 15.51 H new ATOM 0 HB3 SER A 51 3.668 0.876 13.250 1.00 15.51 H new ATOM 0 HG SER A 51 4.190 1.753 15.620 1.00 14.25 H new ATOM 811 N ASN A 52 3.662 4.267 13.102 1.00 0.42 N ATOM 812 CA ASN A 52 4.700 5.310 13.048 1.00 12.52 C ATOM 813 C ASN A 52 4.146 6.690 12.655 1.00 3.23 C ATOM 814 O ASN A 52 4.725 7.715 13.018 1.00 0.31 O ATOM 815 CB ASN A 52 5.815 4.904 12.075 1.00 45.43 C ATOM 816 CG ASN A 52 6.611 3.714 12.578 1.00 24.52 C ATOM 817 OD1 ASN A 52 7.610 3.870 13.270 1.00 43.22 O ATOM 818 ND2 ASN A 52 6.173 2.518 12.237 1.00 1.34 N ATOM 0 H ASN A 52 3.092 4.194 12.259 1.00 0.42 H new ATOM 0 HA ASN A 52 5.101 5.400 14.058 1.00 12.52 H new ATOM 0 HB2 ASN A 52 5.379 4.663 11.106 1.00 45.43 H new ATOM 0 HB3 ASN A 52 6.486 5.749 11.922 1.00 45.43 H new ATOM 0 HD21 ASN A 52 6.670 1.684 12.551 1.00 1.34 H new ATOM 0 HD22 ASN A 52 5.337 2.426 11.659 1.00 1.34 H new ATOM 825 N TYR A 53 3.040 6.729 11.912 1.00 51.35 N ATOM 826 CA TYR A 53 2.496 8.003 11.415 1.00 24.14 C ATOM 827 C TYR A 53 0.988 8.130 11.683 1.00 43.44 C ATOM 828 O TYR A 53 0.244 7.149 11.621 1.00 62.54 O ATOM 829 CB TYR A 53 2.788 8.142 9.913 1.00 11.03 C ATOM 830 CG TYR A 53 4.258 7.955 9.582 1.00 22.41 C ATOM 831 CD1 TYR A 53 5.195 8.924 9.930 1.00 32.43 C ATOM 832 CD2 TYR A 53 4.712 6.801 8.955 1.00 21.44 C ATOM 833 CE1 TYR A 53 6.538 8.748 9.658 1.00 0.34 C ATOM 834 CE2 TYR A 53 6.055 6.617 8.685 1.00 44.22 C ATOM 835 CZ TYR A 53 6.963 7.594 9.038 1.00 33.01 C ATOM 836 OH TYR A 53 8.306 7.414 8.781 1.00 40.51 O ATOM 0 H TYR A 53 2.504 5.905 11.640 1.00 51.35 H new ATOM 0 HA TYR A 53 2.987 8.810 11.958 1.00 24.14 H new ATOM 0 HB2 TYR A 53 2.200 7.407 9.363 1.00 11.03 H new ATOM 0 HB3 TYR A 53 2.466 9.127 9.574 1.00 11.03 H new ATOM 0 HD1 TYR A 53 4.867 9.828 10.421 1.00 32.43 H new ATOM 0 HD2 TYR A 53 4.004 6.035 8.674 1.00 21.44 H new ATOM 0 HE1 TYR A 53 7.251 9.512 9.930 1.00 0.34 H new ATOM 0 HE2 TYR A 53 6.392 5.713 8.200 1.00 44.22 H new ATOM 0 HH TYR A 53 8.563 7.942 7.996 1.00 40.51 H new ATOM 846 N THR A 54 0.550 9.352 11.979 1.00 42.32 N ATOM 847 CA THR A 54 -0.856 9.631 12.318 1.00 65.32 C ATOM 848 C THR A 54 -1.515 10.577 11.301 1.00 50.13 C ATOM 849 O THR A 54 -2.516 11.232 11.603 1.00 51.55 O ATOM 850 CB THR A 54 -0.971 10.261 13.730 1.00 12.35 C ATOM 851 OG1 THR A 54 -0.219 11.486 13.789 1.00 11.31 O ATOM 852 CG2 THR A 54 -0.458 9.302 14.802 1.00 31.13 C ATOM 0 H THR A 54 1.150 10.176 11.992 1.00 42.32 H new ATOM 0 HA THR A 54 -1.376 8.673 12.296 1.00 65.32 H new ATOM 0 HB THR A 54 -2.024 10.467 13.919 1.00 12.35 H new ATOM 0 HG1 THR A 54 -0.300 11.877 14.684 1.00 11.31 H new ATOM 0 HG21 THR A 54 -0.550 9.769 15.782 1.00 31.13 H new ATOM 0 HG22 THR A 54 -1.046 8.384 14.781 1.00 31.13 H new ATOM 0 HG23 THR A 54 0.589 9.067 14.609 1.00 31.13 H new ATOM 860 N ASP A 55 -0.963 10.640 10.090 1.00 75.13 N ATOM 861 CA ASP A 55 -1.521 11.491 9.034 1.00 60.14 C ATOM 862 C ASP A 55 -2.367 10.662 8.048 1.00 41.14 C ATOM 863 O ASP A 55 -1.859 9.766 7.370 1.00 14.24 O ATOM 864 CB ASP A 55 -0.397 12.220 8.296 1.00 51.30 C ATOM 865 CG ASP A 55 -0.936 13.248 7.320 1.00 54.10 C ATOM 866 OD1 ASP A 55 -1.193 14.394 7.742 1.00 1.51 O ATOM 867 OD2 ASP A 55 -1.120 12.914 6.135 1.00 21.12 O ATOM 0 H ASP A 55 -0.133 10.115 9.814 1.00 75.13 H new ATOM 0 HA ASP A 55 -2.174 12.231 9.498 1.00 60.14 H new ATOM 0 HB2 ASP A 55 0.253 12.712 9.019 1.00 51.30 H new ATOM 0 HB3 ASP A 55 0.215 11.495 7.759 1.00 51.30 H new ATOM 872 N HIS A 56 -3.656 10.986 7.952 1.00 70.25 N ATOM 873 CA HIS A 56 -4.601 10.193 7.157 1.00 5.43 C ATOM 874 C HIS A 56 -4.404 10.357 5.642 1.00 32.23 C ATOM 875 O HIS A 56 -4.825 9.498 4.864 1.00 73.33 O ATOM 876 CB HIS A 56 -6.037 10.531 7.557 1.00 30.52 C ATOM 877 CG HIS A 56 -6.404 9.975 8.896 1.00 73.53 C ATOM 878 ND1 HIS A 56 -6.813 8.673 9.074 1.00 52.21 N ATOM 879 CD2 HIS A 56 -6.408 10.537 10.128 1.00 73.22 C ATOM 880 CE1 HIS A 56 -7.053 8.458 10.351 1.00 32.23 C ATOM 881 NE2 HIS A 56 -6.814 9.571 11.017 1.00 41.30 N ATOM 0 H HIS A 56 -4.073 11.793 8.415 1.00 70.25 H new ATOM 0 HA HIS A 56 -4.399 9.145 7.377 1.00 5.43 H new ATOM 0 HB2 HIS A 56 -6.162 11.614 7.570 1.00 30.52 H new ATOM 0 HB3 HIS A 56 -6.722 10.140 6.805 1.00 30.52 H new ATOM 0 HD1 HIS A 56 -6.915 7.981 8.331 1.00 52.21 H new ATOM 0 HD2 HIS A 56 -6.141 11.556 10.368 1.00 73.22 H new ATOM 0 HE1 HIS A 56 -7.389 7.526 10.781 1.00 32.23 H new ATOM 890 N GLN A 57 -3.752 11.439 5.221 1.00 73.01 N ATOM 891 CA GLN A 57 -3.416 11.613 3.802 1.00 64.43 C ATOM 892 C GLN A 57 -2.336 10.602 3.378 1.00 23.44 C ATOM 893 O GLN A 57 -2.062 10.423 2.192 1.00 50.12 O ATOM 894 CB GLN A 57 -2.946 13.047 3.516 1.00 62.41 C ATOM 895 CG GLN A 57 -3.985 14.115 3.839 1.00 44.23 C ATOM 896 CD GLN A 57 -3.493 15.519 3.531 1.00 33.41 C ATOM 897 OE1 GLN A 57 -2.879 16.173 4.370 1.00 34.22 O ATOM 898 NE2 GLN A 57 -3.757 15.999 2.332 1.00 13.23 N ATOM 0 H GLN A 57 -3.448 12.200 5.828 1.00 73.01 H new ATOM 0 HA GLN A 57 -4.318 11.430 3.218 1.00 64.43 H new ATOM 0 HB2 GLN A 57 -2.044 13.245 4.095 1.00 62.41 H new ATOM 0 HB3 GLN A 57 -2.673 13.126 2.464 1.00 62.41 H new ATOM 0 HG2 GLN A 57 -4.893 13.918 3.268 1.00 44.23 H new ATOM 0 HG3 GLN A 57 -4.252 14.050 4.894 1.00 44.23 H new ATOM 0 HE21 GLN A 57 -4.269 15.431 1.657 1.00 13.23 H new ATOM 0 HE22 GLN A 57 -3.449 16.938 2.079 1.00 13.23 H new ATOM 907 N LEU A 58 -1.715 9.961 4.371 1.00 32.04 N ATOM 908 CA LEU A 58 -0.773 8.861 4.132 1.00 44.21 C ATOM 909 C LEU A 58 -1.437 7.496 4.411 1.00 34.42 C ATOM 910 O LEU A 58 -1.264 6.540 3.650 1.00 61.05 O ATOM 911 CB LEU A 58 0.473 9.029 5.020 1.00 1.51 C ATOM 912 CG LEU A 58 1.247 10.348 4.837 1.00 4.14 C ATOM 913 CD1 LEU A 58 2.427 10.421 5.805 1.00 3.44 C ATOM 914 CD2 LEU A 58 1.725 10.504 3.392 1.00 11.31 C ATOM 0 H LEU A 58 -1.848 10.186 5.357 1.00 32.04 H new ATOM 0 HA LEU A 58 -0.474 8.890 3.084 1.00 44.21 H new ATOM 0 HB2 LEU A 58 0.167 8.950 6.063 1.00 1.51 H new ATOM 0 HB3 LEU A 58 1.152 8.200 4.823 1.00 1.51 H new ATOM 0 HG LEU A 58 0.569 11.171 5.061 1.00 4.14 H new ATOM 0 HD11 LEU A 58 2.960 11.361 5.659 1.00 3.44 H new ATOM 0 HD12 LEU A 58 2.060 10.367 6.830 1.00 3.44 H new ATOM 0 HD13 LEU A 58 3.104 9.587 5.618 1.00 3.44 H new ATOM 0 HD21 LEU A 58 2.269 11.443 3.288 1.00 11.31 H new ATOM 0 HD22 LEU A 58 2.382 9.674 3.135 1.00 11.31 H new ATOM 0 HD23 LEU A 58 0.865 10.507 2.723 1.00 11.31 H new ATOM 926 N ILE A 59 -2.207 7.419 5.500 1.00 73.22 N ATOM 927 CA ILE A 59 -2.843 6.162 5.928 1.00 34.04 C ATOM 928 C ILE A 59 -3.797 5.593 4.856 1.00 54.34 C ATOM 929 O ILE A 59 -3.538 4.527 4.290 1.00 3.20 O ATOM 930 CB ILE A 59 -3.621 6.345 7.261 1.00 41.55 C ATOM 931 CG1 ILE A 59 -2.693 6.875 8.369 1.00 4.44 C ATOM 932 CG2 ILE A 59 -4.273 5.032 7.696 1.00 63.10 C ATOM 933 CD1 ILE A 59 -1.515 5.971 8.676 1.00 54.01 C ATOM 0 H ILE A 59 -2.408 8.214 6.106 1.00 73.22 H new ATOM 0 HA ILE A 59 -2.032 5.450 6.079 1.00 34.04 H new ATOM 0 HB ILE A 59 -4.408 7.080 7.091 1.00 41.55 H new ATOM 0 HG12 ILE A 59 -2.318 7.855 8.076 1.00 4.44 H new ATOM 0 HG13 ILE A 59 -3.276 7.016 9.279 1.00 4.44 H new ATOM 0 HG21 ILE A 59 -4.811 5.185 8.631 1.00 63.10 H new ATOM 0 HG22 ILE A 59 -4.970 4.699 6.927 1.00 63.10 H new ATOM 0 HG23 ILE A 59 -3.503 4.274 7.841 1.00 63.10 H new ATOM 0 HD11 ILE A 59 -0.911 6.416 9.467 1.00 54.01 H new ATOM 0 HD12 ILE A 59 -1.879 4.997 9.002 1.00 54.01 H new ATOM 0 HD13 ILE A 59 -0.907 5.849 7.780 1.00 54.01 H new ATOM 945 N GLU A 60 -4.898 6.299 4.575 1.00 22.12 N ATOM 946 CA GLU A 60 -5.870 5.837 3.570 1.00 60.53 C ATOM 947 C GLU A 60 -5.212 5.588 2.198 1.00 63.25 C ATOM 948 O GLU A 60 -5.567 4.638 1.492 1.00 11.23 O ATOM 949 CB GLU A 60 -7.039 6.829 3.420 1.00 64.41 C ATOM 950 CG GLU A 60 -8.037 6.816 4.584 1.00 74.54 C ATOM 951 CD GLU A 60 -7.652 7.726 5.743 1.00 42.21 C ATOM 952 OE1 GLU A 60 -6.722 7.389 6.502 1.00 64.34 O ATOM 953 OE2 GLU A 60 -8.298 8.789 5.904 1.00 35.24 O ATOM 0 H GLU A 60 -5.139 7.183 5.022 1.00 22.12 H new ATOM 0 HA GLU A 60 -6.261 4.887 3.934 1.00 60.53 H new ATOM 0 HB2 GLU A 60 -6.634 7.836 3.317 1.00 64.41 H new ATOM 0 HB3 GLU A 60 -7.574 6.604 2.497 1.00 64.41 H new ATOM 0 HG2 GLU A 60 -9.017 7.115 4.212 1.00 74.54 H new ATOM 0 HG3 GLU A 60 -8.134 5.795 4.954 1.00 74.54 H new ATOM 960 N THR A 61 -4.255 6.435 1.828 1.00 11.25 N ATOM 961 CA THR A 61 -3.499 6.253 0.577 1.00 75.55 C ATOM 962 C THR A 61 -2.794 4.887 0.551 1.00 2.22 C ATOM 963 O THR A 61 -2.809 4.184 -0.464 1.00 72.30 O ATOM 964 CB THR A 61 -2.448 7.375 0.376 1.00 24.32 C ATOM 965 OG1 THR A 61 -3.100 8.651 0.332 1.00 41.42 O ATOM 966 CG2 THR A 61 -1.651 7.173 -0.910 1.00 55.40 C ATOM 0 H THR A 61 -3.980 7.254 2.370 1.00 11.25 H new ATOM 0 HA THR A 61 -4.221 6.301 -0.238 1.00 75.55 H new ATOM 0 HB THR A 61 -1.757 7.336 1.218 1.00 24.32 H new ATOM 0 HG1 THR A 61 -2.704 9.244 1.005 1.00 41.42 H new ATOM 0 HG21 THR A 61 -0.924 7.978 -1.018 1.00 55.40 H new ATOM 0 HG22 THR A 61 -1.130 6.217 -0.869 1.00 55.40 H new ATOM 0 HG23 THR A 61 -2.329 7.180 -1.763 1.00 55.40 H new ATOM 974 N THR A 62 -2.196 4.513 1.682 1.00 11.20 N ATOM 975 CA THR A 62 -1.543 3.202 1.829 1.00 4.20 C ATOM 976 C THR A 62 -2.547 2.062 1.627 1.00 14.15 C ATOM 977 O THR A 62 -2.268 1.090 0.919 1.00 32.34 O ATOM 978 CB THR A 62 -0.883 3.050 3.226 1.00 44.04 C ATOM 979 OG1 THR A 62 0.147 4.034 3.395 1.00 3.21 O ATOM 980 CG2 THR A 62 -0.289 1.654 3.425 1.00 33.22 C ATOM 0 H THR A 62 -2.148 5.099 2.516 1.00 11.20 H new ATOM 0 HA THR A 62 -0.770 3.146 1.062 1.00 4.20 H new ATOM 0 HB THR A 62 -1.663 3.197 3.973 1.00 44.04 H new ATOM 0 HG1 THR A 62 -0.259 4.923 3.471 1.00 3.21 H new ATOM 0 HG21 THR A 62 0.163 1.589 4.415 1.00 33.22 H new ATOM 0 HG22 THR A 62 -1.078 0.907 3.336 1.00 33.22 H new ATOM 0 HG23 THR A 62 0.471 1.471 2.666 1.00 33.22 H new ATOM 988 N ASN A 63 -3.724 2.194 2.247 1.00 60.21 N ATOM 989 CA ASN A 63 -4.796 1.200 2.102 1.00 75.25 C ATOM 990 C ASN A 63 -5.175 0.996 0.627 1.00 62.32 C ATOM 991 O ASN A 63 -5.344 -0.136 0.172 1.00 21.12 O ATOM 992 CB ASN A 63 -6.036 1.617 2.910 1.00 44.40 C ATOM 993 CG ASN A 63 -7.205 0.661 2.716 1.00 22.43 C ATOM 994 OD1 ASN A 63 -7.336 -0.332 3.423 1.00 23.44 O ATOM 995 ND2 ASN A 63 -8.064 0.949 1.755 1.00 65.14 N ATOM 0 H ASN A 63 -3.960 2.979 2.854 1.00 60.21 H new ATOM 0 HA ASN A 63 -4.421 0.254 2.492 1.00 75.25 H new ATOM 0 HB2 ASN A 63 -5.778 1.661 3.968 1.00 44.40 H new ATOM 0 HB3 ASN A 63 -6.339 2.621 2.613 1.00 44.40 H new ATOM 0 HD21 ASN A 63 -8.863 0.338 1.585 1.00 65.14 H new ATOM 0 HD22 ASN A 63 -7.929 1.783 1.183 1.00 65.14 H new ATOM 1002 N ARG A 64 -5.309 2.098 -0.114 1.00 20.22 N ATOM 1003 CA ARG A 64 -5.658 2.028 -1.537 1.00 14.22 C ATOM 1004 C ARG A 64 -4.610 1.235 -2.335 1.00 2.20 C ATOM 1005 O ARG A 64 -4.945 0.277 -3.034 1.00 74.22 O ATOM 1006 CB ARG A 64 -5.820 3.437 -2.138 1.00 3.44 C ATOM 1007 CG ARG A 64 -6.094 3.412 -3.641 1.00 31.33 C ATOM 1008 CD ARG A 64 -6.341 4.801 -4.226 1.00 62.01 C ATOM 1009 NE ARG A 64 -6.538 4.743 -5.676 1.00 62.45 N ATOM 1010 CZ ARG A 64 -7.571 4.191 -6.260 1.00 43.35 C ATOM 1011 NH1 ARG A 64 -8.562 3.732 -5.564 1.00 23.44 N ATOM 1012 NH2 ARG A 64 -7.621 4.122 -7.550 1.00 12.24 N ATOM 0 H ARG A 64 -5.182 3.045 0.244 1.00 20.22 H new ATOM 0 HA ARG A 64 -6.612 1.505 -1.608 1.00 14.22 H new ATOM 0 HB2 ARG A 64 -6.638 3.951 -1.633 1.00 3.44 H new ATOM 0 HB3 ARG A 64 -4.915 4.014 -1.948 1.00 3.44 H new ATOM 0 HG2 ARG A 64 -5.247 2.954 -4.152 1.00 31.33 H new ATOM 0 HG3 ARG A 64 -6.962 2.782 -3.836 1.00 31.33 H new ATOM 0 HD2 ARG A 64 -7.218 5.245 -3.756 1.00 62.01 H new ATOM 0 HD3 ARG A 64 -5.495 5.449 -3.998 1.00 62.01 H new ATOM 0 HE ARG A 64 -5.822 5.161 -6.271 1.00 62.45 H new ATOM 0 HH11 ARG A 64 -8.544 3.798 -4.546 1.00 23.44 H new ATOM 0 HH12 ARG A 64 -9.360 3.304 -6.034 1.00 23.44 H new ATOM 0 HH21 ARG A 64 -6.856 4.497 -8.111 1.00 12.24 H new ATOM 0 HH22 ARG A 64 -8.425 3.692 -8.007 1.00 12.24 H new ATOM 1026 N ALA A 65 -3.343 1.632 -2.210 1.00 62.15 N ATOM 1027 CA ALA A 65 -2.247 0.998 -2.957 1.00 10.42 C ATOM 1028 C ALA A 65 -2.213 -0.527 -2.750 1.00 33.15 C ATOM 1029 O ALA A 65 -2.042 -1.290 -3.700 1.00 72.14 O ATOM 1030 CB ALA A 65 -0.918 1.625 -2.557 1.00 24.14 C ATOM 0 H ALA A 65 -3.046 2.392 -1.597 1.00 62.15 H new ATOM 0 HA ALA A 65 -2.422 1.171 -4.019 1.00 10.42 H new ATOM 0 HB1 ALA A 65 -0.110 1.151 -3.114 1.00 24.14 H new ATOM 0 HB2 ALA A 65 -0.937 2.691 -2.782 1.00 24.14 H new ATOM 0 HB3 ALA A 65 -0.755 1.482 -1.489 1.00 24.14 H new ATOM 1036 N ILE A 66 -2.390 -0.961 -1.504 1.00 21.53 N ATOM 1037 CA ILE A 66 -2.427 -2.393 -1.180 1.00 41.24 C ATOM 1038 C ILE A 66 -3.730 -3.052 -1.671 1.00 0.11 C ATOM 1039 O ILE A 66 -3.723 -4.183 -2.165 1.00 74.44 O ATOM 1040 CB ILE A 66 -2.288 -2.619 0.349 1.00 0.44 C ATOM 1041 CG1 ILE A 66 -0.987 -1.986 0.876 1.00 73.41 C ATOM 1042 CG2 ILE A 66 -2.334 -4.111 0.682 1.00 52.13 C ATOM 1043 CD1 ILE A 66 -0.815 -2.101 2.379 1.00 44.31 C ATOM 0 H ILE A 66 -2.510 -0.345 -0.700 1.00 21.53 H new ATOM 0 HA ILE A 66 -1.585 -2.856 -1.694 1.00 41.24 H new ATOM 0 HB ILE A 66 -3.130 -2.133 0.843 1.00 0.44 H new ATOM 0 HG12 ILE A 66 -0.138 -2.461 0.385 1.00 73.41 H new ATOM 0 HG13 ILE A 66 -0.968 -0.932 0.597 1.00 73.41 H new ATOM 0 HG21 ILE A 66 -2.235 -4.247 1.759 1.00 52.13 H new ATOM 0 HG22 ILE A 66 -3.284 -4.529 0.350 1.00 52.13 H new ATOM 0 HG23 ILE A 66 -1.516 -4.622 0.175 1.00 52.13 H new ATOM 0 HD11 ILE A 66 0.124 -1.633 2.675 1.00 44.31 H new ATOM 0 HD12 ILE A 66 -1.644 -1.600 2.879 1.00 44.31 H new ATOM 0 HD13 ILE A 66 -0.801 -3.153 2.664 1.00 44.31 H new ATOM 1055 N SER A 67 -4.843 -2.327 -1.545 1.00 41.13 N ATOM 1056 CA SER A 67 -6.177 -2.854 -1.882 1.00 1.41 C ATOM 1057 C SER A 67 -6.242 -3.437 -3.302 1.00 63.14 C ATOM 1058 O SER A 67 -6.779 -4.528 -3.512 1.00 54.02 O ATOM 1059 CB SER A 67 -7.240 -1.760 -1.738 1.00 14.21 C ATOM 1060 OG SER A 67 -8.535 -2.260 -2.027 1.00 44.33 O ATOM 0 H SER A 67 -4.851 -1.364 -1.209 1.00 41.13 H new ATOM 0 HA SER A 67 -6.375 -3.663 -1.179 1.00 1.41 H new ATOM 0 HB2 SER A 67 -7.220 -1.361 -0.724 1.00 14.21 H new ATOM 0 HB3 SER A 67 -7.008 -0.934 -2.410 1.00 14.21 H new ATOM 0 HG SER A 67 -9.193 -1.541 -1.926 1.00 44.33 H new ATOM 1066 N LEU A 68 -5.692 -2.712 -4.277 1.00 63.21 N ATOM 1067 CA LEU A 68 -5.717 -3.159 -5.679 1.00 44.21 C ATOM 1068 C LEU A 68 -5.038 -4.528 -5.865 1.00 31.43 C ATOM 1069 O LEU A 68 -5.490 -5.349 -6.661 1.00 14.21 O ATOM 1070 CB LEU A 68 -5.060 -2.117 -6.602 1.00 31.24 C ATOM 1071 CG LEU A 68 -5.929 -0.893 -6.968 1.00 51.53 C ATOM 1072 CD1 LEU A 68 -7.219 -1.328 -7.660 1.00 22.11 C ATOM 1073 CD2 LEU A 68 -6.243 -0.045 -5.740 1.00 54.04 C ATOM 0 H LEU A 68 -5.225 -1.817 -4.128 1.00 63.21 H new ATOM 0 HA LEU A 68 -6.766 -3.267 -5.954 1.00 44.21 H new ATOM 0 HB2 LEU A 68 -4.148 -1.760 -6.123 1.00 31.24 H new ATOM 0 HB3 LEU A 68 -4.762 -2.615 -7.525 1.00 31.24 H new ATOM 0 HG LEU A 68 -5.354 -0.279 -7.662 1.00 51.53 H new ATOM 0 HD11 LEU A 68 -7.813 -0.449 -7.908 1.00 22.11 H new ATOM 0 HD12 LEU A 68 -6.977 -1.871 -8.573 1.00 22.11 H new ATOM 0 HD13 LEU A 68 -7.789 -1.975 -6.994 1.00 22.11 H new ATOM 0 HD21 LEU A 68 -6.856 0.807 -6.033 1.00 54.04 H new ATOM 0 HD22 LEU A 68 -6.785 -0.647 -5.011 1.00 54.04 H new ATOM 0 HD23 LEU A 68 -5.313 0.312 -5.297 1.00 54.04 H new ATOM 1085 N TYR A 69 -3.967 -4.781 -5.115 1.00 62.34 N ATOM 1086 CA TYR A 69 -3.229 -6.049 -5.230 1.00 2.43 C ATOM 1087 C TYR A 69 -3.812 -7.138 -4.316 1.00 53.34 C ATOM 1088 O TYR A 69 -3.245 -8.224 -4.184 1.00 70.34 O ATOM 1089 CB TYR A 69 -1.745 -5.819 -4.929 1.00 11.21 C ATOM 1090 CG TYR A 69 -1.076 -4.933 -5.961 1.00 50.54 C ATOM 1091 CD1 TYR A 69 -0.541 -5.472 -7.126 1.00 43.43 C ATOM 1092 CD2 TYR A 69 -0.995 -3.555 -5.781 1.00 35.14 C ATOM 1093 CE1 TYR A 69 0.054 -4.667 -8.078 1.00 62.33 C ATOM 1094 CE2 TYR A 69 -0.399 -2.748 -6.728 1.00 11.34 C ATOM 1095 CZ TYR A 69 0.121 -3.307 -7.872 1.00 34.51 C ATOM 1096 OH TYR A 69 0.711 -2.503 -8.820 1.00 2.43 O ATOM 0 H TYR A 69 -3.588 -4.133 -4.424 1.00 62.34 H new ATOM 0 HA TYR A 69 -3.333 -6.406 -6.255 1.00 2.43 H new ATOM 0 HB2 TYR A 69 -1.643 -5.365 -3.943 1.00 11.21 H new ATOM 0 HB3 TYR A 69 -1.232 -6.780 -4.892 1.00 11.21 H new ATOM 0 HD1 TYR A 69 -0.592 -6.538 -7.289 1.00 43.43 H new ATOM 0 HD2 TYR A 69 -1.405 -3.111 -4.886 1.00 35.14 H new ATOM 0 HE1 TYR A 69 0.464 -5.101 -8.978 1.00 62.33 H new ATOM 0 HE2 TYR A 69 -0.341 -1.681 -6.572 1.00 11.34 H new ATOM 0 HH TYR A 69 0.017 -2.081 -9.369 1.00 2.43 H new ATOM 1106 N MET A 70 -4.948 -6.838 -3.692 1.00 50.44 N ATOM 1107 CA MET A 70 -5.681 -7.824 -2.890 1.00 61.45 C ATOM 1108 C MET A 70 -7.062 -8.111 -3.508 1.00 3.11 C ATOM 1109 O MET A 70 -7.313 -9.207 -4.012 1.00 44.11 O ATOM 1110 CB MET A 70 -5.835 -7.326 -1.443 1.00 3.11 C ATOM 1111 CG MET A 70 -4.506 -7.074 -0.736 1.00 71.41 C ATOM 1112 SD MET A 70 -3.471 -8.550 -0.646 1.00 73.33 S ATOM 1113 CE MET A 70 -4.496 -9.643 0.338 1.00 73.45 C ATOM 0 H MET A 70 -5.385 -5.917 -3.724 1.00 50.44 H new ATOM 0 HA MET A 70 -5.110 -8.753 -2.882 1.00 61.45 H new ATOM 0 HB2 MET A 70 -6.416 -6.404 -1.445 1.00 3.11 H new ATOM 0 HB3 MET A 70 -6.405 -8.060 -0.874 1.00 3.11 H new ATOM 0 HG2 MET A 70 -3.964 -6.287 -1.261 1.00 71.41 H new ATOM 0 HG3 MET A 70 -4.700 -6.709 0.273 1.00 71.41 H new ATOM 0 HE1 MET A 70 -3.895 -10.477 0.700 1.00 73.45 H new ATOM 0 HE2 MET A 70 -4.903 -9.094 1.187 1.00 73.45 H new ATOM 0 HE3 MET A 70 -5.314 -10.023 -0.274 1.00 73.45 H new ATOM 1123 N ALA A 71 -7.938 -7.103 -3.492 1.00 64.12 N ATOM 1124 CA ALA A 71 -9.313 -7.245 -4.000 1.00 10.54 C ATOM 1125 C ALA A 71 -9.348 -7.671 -5.477 1.00 54.14 C ATOM 1126 O ALA A 71 -10.006 -8.654 -5.837 1.00 51.25 O ATOM 1127 CB ALA A 71 -10.076 -5.936 -3.814 1.00 31.14 C ATOM 0 H ALA A 71 -7.722 -6.174 -3.132 1.00 64.12 H new ATOM 0 HA ALA A 71 -9.793 -8.036 -3.423 1.00 10.54 H new ATOM 0 HB1 ALA A 71 -11.092 -6.050 -4.192 1.00 31.14 H new ATOM 0 HB2 ALA A 71 -10.110 -5.682 -2.755 1.00 31.14 H new ATOM 0 HB3 ALA A 71 -9.572 -5.140 -4.362 1.00 31.14 H new ATOM 1133 N ASN A 72 -8.643 -6.925 -6.331 1.00 15.22 N ATOM 1134 CA ASN A 72 -8.580 -7.235 -7.765 1.00 51.15 C ATOM 1135 C ASN A 72 -7.886 -8.584 -8.009 1.00 61.43 C ATOM 1136 O ASN A 72 -8.375 -9.416 -8.773 1.00 22.03 O ATOM 1137 CB ASN A 72 -7.834 -6.122 -8.517 1.00 70.41 C ATOM 1138 CG ASN A 72 -7.684 -6.412 -10.002 1.00 50.44 C ATOM 1139 OD1 ASN A 72 -8.553 -7.009 -10.625 1.00 44.20 O ATOM 1140 ND2 ASN A 72 -6.573 -5.997 -10.578 1.00 65.34 N ATOM 0 H ASN A 72 -8.107 -6.102 -6.056 1.00 15.22 H new ATOM 0 HA ASN A 72 -9.601 -7.301 -8.140 1.00 51.15 H new ATOM 0 HB2 ASN A 72 -8.369 -5.181 -8.388 1.00 70.41 H new ATOM 0 HB3 ASN A 72 -6.846 -5.991 -8.076 1.00 70.41 H new ATOM 0 HD21 ASN A 72 -6.418 -6.171 -11.571 1.00 65.34 H new ATOM 0 HD22 ASN A 72 -5.869 -5.502 -10.031 1.00 65.34 H new ATOM 1147 N LEU A 73 -6.752 -8.790 -7.340 1.00 41.35 N ATOM 1148 CA LEU A 73 -5.958 -10.018 -7.494 1.00 2.34 C ATOM 1149 C LEU A 73 -6.829 -11.274 -7.279 1.00 20.02 C ATOM 1150 O LEU A 73 -6.720 -12.251 -8.020 1.00 30.24 O ATOM 1151 CB LEU A 73 -4.775 -10.004 -6.502 1.00 20.34 C ATOM 1152 CG LEU A 73 -3.455 -10.636 -7.000 1.00 4.21 C ATOM 1153 CD1 LEU A 73 -3.627 -12.119 -7.323 1.00 13.30 C ATOM 1154 CD2 LEU A 73 -2.926 -9.879 -8.219 1.00 60.13 C ATOM 0 H LEU A 73 -6.357 -8.120 -6.681 1.00 41.35 H new ATOM 0 HA LEU A 73 -5.570 -10.053 -8.512 1.00 2.34 H new ATOM 0 HB2 LEU A 73 -4.575 -8.969 -6.223 1.00 20.34 H new ATOM 0 HB3 LEU A 73 -5.083 -10.525 -5.595 1.00 20.34 H new ATOM 0 HG LEU A 73 -2.726 -10.557 -6.194 1.00 4.21 H new ATOM 0 HD11 LEU A 73 -2.678 -12.528 -7.670 1.00 13.30 H new ATOM 0 HD12 LEU A 73 -3.946 -12.652 -6.427 1.00 13.30 H new ATOM 0 HD13 LEU A 73 -4.380 -12.237 -8.103 1.00 13.30 H new ATOM 0 HD21 LEU A 73 -1.996 -10.337 -8.557 1.00 60.13 H new ATOM 0 HD22 LEU A 73 -3.663 -9.920 -9.021 1.00 60.13 H new ATOM 0 HD23 LEU A 73 -2.741 -8.839 -7.949 1.00 60.13 H new ATOM 1166 N GLU A 74 -7.698 -11.229 -6.266 1.00 12.04 N ATOM 1167 CA GLU A 74 -8.626 -12.333 -5.976 1.00 44.24 C ATOM 1168 C GLU A 74 -9.535 -12.649 -7.179 1.00 21.34 C ATOM 1169 O GLU A 74 -9.485 -13.745 -7.740 1.00 21.31 O ATOM 1170 CB GLU A 74 -9.489 -11.980 -4.753 1.00 0.51 C ATOM 1171 CG GLU A 74 -8.709 -11.882 -3.442 1.00 54.13 C ATOM 1172 CD GLU A 74 -8.518 -13.228 -2.754 1.00 13.32 C ATOM 1173 OE1 GLU A 74 -7.753 -14.074 -3.274 1.00 14.21 O ATOM 1174 OE2 GLU A 74 -9.124 -13.438 -1.684 1.00 71.11 O ATOM 0 H GLU A 74 -7.781 -10.437 -5.628 1.00 12.04 H new ATOM 0 HA GLU A 74 -8.030 -13.221 -5.767 1.00 44.24 H new ATOM 0 HB2 GLU A 74 -9.988 -11.029 -4.937 1.00 0.51 H new ATOM 0 HB3 GLU A 74 -10.269 -12.734 -4.643 1.00 0.51 H new ATOM 0 HG2 GLU A 74 -7.732 -11.441 -3.640 1.00 54.13 H new ATOM 0 HG3 GLU A 74 -9.232 -11.207 -2.765 1.00 54.13 H new ATOM 1181 N HIS A 75 -10.346 -11.671 -7.586 1.00 3.14 N ATOM 1182 CA HIS A 75 -11.337 -11.873 -8.655 1.00 15.44 C ATOM 1183 C HIS A 75 -10.698 -11.897 -10.057 1.00 4.23 C ATOM 1184 O HIS A 75 -11.360 -12.226 -11.040 1.00 35.34 O ATOM 1185 CB HIS A 75 -12.416 -10.780 -8.582 1.00 54.41 C ATOM 1186 CG HIS A 75 -13.548 -10.968 -9.556 1.00 65.54 C ATOM 1187 ND1 HIS A 75 -14.423 -12.032 -9.501 1.00 61.21 N ATOM 1188 CD2 HIS A 75 -13.946 -10.220 -10.616 1.00 71.30 C ATOM 1189 CE1 HIS A 75 -15.304 -11.932 -10.475 1.00 13.13 C ATOM 1190 NE2 HIS A 75 -15.040 -10.844 -11.167 1.00 4.24 N ATOM 0 H HIS A 75 -10.339 -10.729 -7.194 1.00 3.14 H new ATOM 0 HA HIS A 75 -11.791 -12.851 -8.495 1.00 15.44 H new ATOM 0 HB2 HIS A 75 -12.822 -10.752 -7.571 1.00 54.41 H new ATOM 0 HB3 HIS A 75 -11.950 -9.812 -8.765 1.00 54.41 H new ATOM 0 HD2 HIS A 75 -13.489 -9.305 -10.962 1.00 71.30 H new ATOM 0 HE1 HIS A 75 -16.108 -12.626 -10.673 1.00 13.13 H new ATOM 0 HE2 HIS A 75 -15.562 -10.517 -11.980 1.00 4.24 H new ATOM 1199 N HIS A 76 -9.415 -11.549 -10.148 1.00 22.10 N ATOM 1200 CA HIS A 76 -8.706 -11.557 -11.434 1.00 10.51 C ATOM 1201 C HIS A 76 -8.579 -12.985 -11.997 1.00 2.52 C ATOM 1202 O HIS A 76 -8.474 -13.173 -13.208 1.00 72.24 O ATOM 1203 CB HIS A 76 -7.316 -10.921 -11.287 1.00 70.34 C ATOM 1204 CG HIS A 76 -6.592 -10.763 -12.591 1.00 65.43 C ATOM 1205 ND1 HIS A 76 -5.679 -11.681 -13.062 1.00 14.32 N ATOM 1206 CD2 HIS A 76 -6.659 -9.793 -13.535 1.00 40.03 C ATOM 1207 CE1 HIS A 76 -5.219 -11.288 -14.230 1.00 14.32 C ATOM 1208 NE2 HIS A 76 -5.796 -10.148 -14.541 1.00 33.40 N ATOM 0 H HIS A 76 -8.845 -11.259 -9.353 1.00 22.10 H new ATOM 0 HA HIS A 76 -9.293 -10.967 -12.138 1.00 10.51 H new ATOM 0 HB2 HIS A 76 -7.420 -9.943 -10.817 1.00 70.34 H new ATOM 0 HB3 HIS A 76 -6.713 -11.534 -10.617 1.00 70.34 H new ATOM 0 HD2 HIS A 76 -7.276 -8.907 -13.502 1.00 40.03 H new ATOM 0 HE1 HIS A 76 -4.491 -11.812 -14.831 1.00 14.32 H new ATOM 0 HE2 HIS A 76 -5.629 -9.613 -15.393 1.00 33.40 H new ATOM 1217 N HIS A 77 -8.581 -13.983 -11.111 1.00 63.34 N ATOM 1218 CA HIS A 77 -8.521 -15.388 -11.534 1.00 62.41 C ATOM 1219 C HIS A 77 -9.884 -15.842 -12.083 1.00 21.40 C ATOM 1220 O HIS A 77 -10.029 -16.111 -13.276 1.00 13.02 O ATOM 1221 CB HIS A 77 -8.098 -16.288 -10.364 1.00 72.11 C ATOM 1222 CG HIS A 77 -6.801 -15.886 -9.727 1.00 3.40 C ATOM 1223 ND1 HIS A 77 -5.569 -16.302 -10.183 1.00 14.13 N ATOM 1224 CD2 HIS A 77 -6.551 -15.096 -8.658 1.00 14.12 C ATOM 1225 CE1 HIS A 77 -4.624 -15.788 -9.423 1.00 23.43 C ATOM 1226 NE2 HIS A 77 -5.190 -15.052 -8.493 1.00 43.13 N ATOM 0 H HIS A 77 -8.623 -13.848 -10.101 1.00 63.34 H new ATOM 0 HA HIS A 77 -7.777 -15.474 -12.326 1.00 62.41 H new ATOM 0 HB2 HIS A 77 -8.882 -16.276 -9.607 1.00 72.11 H new ATOM 0 HB3 HIS A 77 -8.014 -17.315 -10.720 1.00 72.11 H new ATOM 0 HD1 HIS A 77 -5.413 -16.913 -10.985 1.00 14.13 H new ATOM 0 HD2 HIS A 77 -7.286 -14.593 -8.048 1.00 14.12 H new ATOM 0 HE1 HIS A 77 -3.562 -15.945 -9.544 1.00 23.43 H new ATOM 1235 N HIS A 78 -10.881 -15.918 -11.205 1.00 4.32 N ATOM 1236 CA HIS A 78 -12.248 -16.237 -11.618 1.00 11.15 C ATOM 1237 C HIS A 78 -12.935 -15.020 -12.259 1.00 64.34 C ATOM 1238 O HIS A 78 -13.529 -14.189 -11.571 1.00 41.40 O ATOM 1239 CB HIS A 78 -13.065 -16.750 -10.420 1.00 22.21 C ATOM 1240 CG HIS A 78 -14.548 -16.782 -10.659 1.00 31.32 C ATOM 1241 ND1 HIS A 78 -15.460 -16.328 -9.739 1.00 54.32 N ATOM 1242 CD2 HIS A 78 -15.276 -17.201 -11.724 1.00 21.12 C ATOM 1243 CE1 HIS A 78 -16.677 -16.460 -10.220 1.00 12.42 C ATOM 1244 NE2 HIS A 78 -16.597 -16.985 -11.423 1.00 52.31 N ATOM 0 H HIS A 78 -10.770 -15.763 -10.203 1.00 4.32 H new ATOM 0 HA HIS A 78 -12.197 -17.025 -12.369 1.00 11.15 H new ATOM 0 HB2 HIS A 78 -12.727 -17.755 -10.166 1.00 22.21 H new ATOM 0 HB3 HIS A 78 -12.860 -16.117 -9.556 1.00 22.21 H new ATOM 0 HD2 HIS A 78 -14.888 -17.625 -12.638 1.00 21.12 H new ATOM 0 HE1 HIS A 78 -17.589 -16.184 -9.712 1.00 12.42 H new ATOM 0 HE2 HIS A 78 -17.387 -17.197 -12.032 1.00 52.31 H new