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 72 ASN : amide:sc= -1.14 K(o=-1,f=-11!) USER MOD Set 1.2: A 76 HIS : no HE2:sc= 0.127 K(o=-1,f=-6.2!) USER MOD Set 2.1: A 28 HIS : no HD1:sc= 0 K(o=0,f=0.52) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -165:sc= -0.129 (180deg=-0.654) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 13 MET CE :methyl 161:sc= -0.134 (180deg=-0.626) USER MOD Single : A 16 GLN : amide:sc= 0.47 K(o=0.47,f=-0.79) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 20 THR OG1 : rot -109:sc= 1.53 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.633 (180deg=-0.255) USER MOD Single : A 42 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=-0.06) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -149:sc= -0.425 (180deg=-1.72!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.098) USER MOD Single : A 57 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.6!) USER MOD Single : A 61 THR OG1 : rot 66:sc= 0.649 USER MOD Single : A 62 THR OG1 : rot -63:sc= 0.0354 USER MOD Single : A 63 ASN : amide:sc= 0.0735 K(o=0.074,f=-0.95) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 8:sc= -2.4! USER MOD Single : A 70 MET CE :methyl 150:sc= -0.53 (180deg=-0.571) USER MOD Single : A 75 HIS : no HE2:sc= -0.874 K(o=-0.87,f=-2.8!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.08 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 10.850 -7.459 -3.983 1.00 4.21 N ATOM 50 CA PRO A 5 10.199 -6.999 -5.227 1.00 12.54 C ATOM 51 C PRO A 5 9.641 -5.568 -5.126 1.00 21.30 C ATOM 52 O PRO A 5 9.361 -4.929 -6.144 1.00 74.14 O ATOM 53 CB PRO A 5 9.051 -8.010 -5.433 1.00 73.34 C ATOM 54 CG PRO A 5 9.358 -9.153 -4.519 1.00 63.44 C ATOM 55 CD PRO A 5 10.098 -8.558 -3.354 1.00 44.23 C ATOM 0 HA PRO A 5 10.909 -6.960 -6.053 1.00 12.54 H new ATOM 0 HB2 PRO A 5 8.086 -7.563 -5.192 1.00 73.34 H new ATOM 0 HB3 PRO A 5 9.000 -8.340 -6.471 1.00 73.34 H new ATOM 0 HG2 PRO A 5 8.444 -9.647 -4.190 1.00 63.44 H new ATOM 0 HG3 PRO A 5 9.964 -9.906 -5.024 1.00 63.44 H new ATOM 0 HD2 PRO A 5 9.418 -8.195 -2.583 1.00 44.23 H new ATOM 0 HD3 PRO A 5 10.759 -9.283 -2.880 1.00 44.23 H new ATOM 63 N MET A 6 9.485 -5.080 -3.893 1.00 35.02 N ATOM 64 CA MET A 6 8.945 -3.739 -3.628 1.00 45.55 C ATOM 65 C MET A 6 7.575 -3.537 -4.302 1.00 25.42 C ATOM 66 O MET A 6 7.355 -2.557 -5.019 1.00 71.34 O ATOM 67 CB MET A 6 9.939 -2.659 -4.088 1.00 4.11 C ATOM 68 CG MET A 6 11.302 -2.741 -3.407 1.00 71.20 C ATOM 69 SD MET A 6 12.390 -1.371 -3.853 1.00 73.24 S ATOM 70 CE MET A 6 12.406 -1.504 -5.641 1.00 70.34 C ATOM 0 H MET A 6 9.728 -5.600 -3.050 1.00 35.02 H new ATOM 0 HA MET A 6 8.799 -3.646 -2.552 1.00 45.55 H new ATOM 0 HB2 MET A 6 10.077 -2.742 -5.166 1.00 4.11 H new ATOM 0 HB3 MET A 6 9.507 -1.677 -3.897 1.00 4.11 H new ATOM 0 HG2 MET A 6 11.163 -2.752 -2.326 1.00 71.20 H new ATOM 0 HG3 MET A 6 11.781 -3.682 -3.676 1.00 71.20 H new ATOM 0 HE1 MET A 6 13.228 -0.911 -6.043 1.00 70.34 H new ATOM 0 HE2 MET A 6 12.538 -2.547 -5.927 1.00 70.34 H new ATOM 0 HE3 MET A 6 11.462 -1.135 -6.042 1.00 70.34 H new ATOM 80 N THR A 7 6.652 -4.465 -4.040 1.00 0.34 N ATOM 81 CA THR A 7 5.315 -4.450 -4.663 1.00 52.42 C ATOM 82 C THR A 7 4.604 -3.101 -4.480 1.00 71.50 C ATOM 83 O THR A 7 4.217 -2.451 -5.456 1.00 31.54 O ATOM 84 CB THR A 7 4.413 -5.571 -4.087 1.00 71.11 C ATOM 85 OG1 THR A 7 4.258 -5.397 -2.668 1.00 3.41 O ATOM 86 CG2 THR A 7 5.001 -6.951 -4.374 1.00 51.12 C ATOM 0 H THR A 7 6.802 -5.243 -3.398 1.00 0.34 H new ATOM 0 HA THR A 7 5.477 -4.619 -5.728 1.00 52.42 H new ATOM 0 HB THR A 7 3.439 -5.504 -4.571 1.00 71.11 H new ATOM 0 HG1 THR A 7 3.685 -6.108 -2.312 1.00 3.41 H new ATOM 0 HG21 THR A 7 4.348 -7.718 -3.959 1.00 51.12 H new ATOM 0 HG22 THR A 7 5.088 -7.093 -5.451 1.00 51.12 H new ATOM 0 HG23 THR A 7 5.988 -7.028 -3.917 1.00 51.12 H new ATOM 94 N PHE A 8 4.440 -2.687 -3.225 1.00 20.11 N ATOM 95 CA PHE A 8 3.784 -1.413 -2.901 1.00 61.31 C ATOM 96 C PHE A 8 4.558 -0.208 -3.468 1.00 63.15 C ATOM 97 O PHE A 8 3.958 0.747 -3.961 1.00 64.43 O ATOM 98 CB PHE A 8 3.623 -1.274 -1.380 1.00 24.13 C ATOM 99 CG PHE A 8 2.840 -0.051 -0.959 1.00 2.13 C ATOM 100 CD1 PHE A 8 1.451 -0.056 -0.995 1.00 35.32 C ATOM 101 CD2 PHE A 8 3.489 1.102 -0.534 1.00 4.43 C ATOM 102 CE1 PHE A 8 0.730 1.061 -0.616 1.00 63.21 C ATOM 103 CE2 PHE A 8 2.770 2.219 -0.154 1.00 22.03 C ATOM 104 CZ PHE A 8 1.390 2.199 -0.195 1.00 63.34 C ATOM 0 H PHE A 8 4.752 -3.215 -2.410 1.00 20.11 H new ATOM 0 HA PHE A 8 2.800 -1.420 -3.369 1.00 61.31 H new ATOM 0 HB2 PHE A 8 3.125 -2.163 -0.994 1.00 24.13 H new ATOM 0 HB3 PHE A 8 4.611 -1.237 -0.921 1.00 24.13 H new ATOM 0 HD1 PHE A 8 0.929 -0.943 -1.323 1.00 35.32 H new ATOM 0 HD2 PHE A 8 4.568 1.125 -0.500 1.00 4.43 H new ATOM 0 HE1 PHE A 8 -0.349 1.044 -0.649 1.00 63.21 H new ATOM 0 HE2 PHE A 8 3.288 3.108 0.175 1.00 22.03 H new ATOM 0 HZ PHE A 8 0.827 3.072 0.102 1.00 63.34 H new ATOM 114 N TYR A 9 5.887 -0.265 -3.409 1.00 54.50 N ATOM 115 CA TYR A 9 6.735 0.836 -3.891 1.00 42.42 C ATOM 116 C TYR A 9 6.528 1.077 -5.397 1.00 41.33 C ATOM 117 O TYR A 9 6.193 2.185 -5.819 1.00 75.03 O ATOM 118 CB TYR A 9 8.212 0.530 -3.591 1.00 71.44 C ATOM 119 CG TYR A 9 9.167 1.682 -3.867 1.00 25.51 C ATOM 120 CD1 TYR A 9 9.377 2.681 -2.918 1.00 32.44 C ATOM 121 CD2 TYR A 9 9.867 1.768 -5.069 1.00 0.13 C ATOM 122 CE1 TYR A 9 10.252 3.726 -3.156 1.00 55.20 C ATOM 123 CE2 TYR A 9 10.742 2.813 -5.315 1.00 41.13 C ATOM 124 CZ TYR A 9 10.933 3.787 -4.356 1.00 30.23 C ATOM 125 OH TYR A 9 11.806 4.828 -4.596 1.00 51.53 O ATOM 0 H TYR A 9 6.405 -1.059 -3.033 1.00 54.50 H new ATOM 0 HA TYR A 9 6.448 1.747 -3.366 1.00 42.42 H new ATOM 0 HB2 TYR A 9 8.304 0.242 -2.544 1.00 71.44 H new ATOM 0 HB3 TYR A 9 8.519 -0.330 -4.186 1.00 71.44 H new ATOM 0 HD1 TYR A 9 8.846 2.639 -1.978 1.00 32.44 H new ATOM 0 HD2 TYR A 9 9.725 1.007 -5.822 1.00 0.13 H new ATOM 0 HE1 TYR A 9 10.402 4.490 -2.407 1.00 55.20 H new ATOM 0 HE2 TYR A 9 11.273 2.866 -6.254 1.00 41.13 H new ATOM 0 HH TYR A 9 12.204 4.723 -5.485 1.00 51.53 H new ATOM 135 N ASN A 10 6.705 0.023 -6.195 1.00 30.41 N ATOM 136 CA ASN A 10 6.519 0.102 -7.653 1.00 43.03 C ATOM 137 C ASN A 10 5.104 0.600 -8.015 1.00 24.51 C ATOM 138 O ASN A 10 4.896 1.231 -9.053 1.00 15.34 O ATOM 139 CB ASN A 10 6.774 -1.278 -8.283 1.00 11.12 C ATOM 140 CG ASN A 10 6.680 -1.267 -9.799 1.00 12.30 C ATOM 141 OD1 ASN A 10 6.957 -0.266 -10.446 1.00 61.32 O ATOM 142 ND2 ASN A 10 6.302 -2.388 -10.380 1.00 32.13 N ATOM 0 H ASN A 10 6.978 -0.901 -5.859 1.00 30.41 H new ATOM 0 HA ASN A 10 7.235 0.822 -8.050 1.00 43.03 H new ATOM 0 HB2 ASN A 10 7.763 -1.628 -7.989 1.00 11.12 H new ATOM 0 HB3 ASN A 10 6.052 -1.991 -7.885 1.00 11.12 H new ATOM 0 HD21 ASN A 10 6.234 -2.438 -11.396 1.00 32.13 H new ATOM 0 HD22 ASN A 10 6.078 -3.206 -9.813 1.00 32.13 H new ATOM 149 N PHE A 11 4.138 0.315 -7.145 1.00 22.20 N ATOM 150 CA PHE A 11 2.751 0.739 -7.354 1.00 42.53 C ATOM 151 C PHE A 11 2.557 2.235 -7.043 1.00 30.22 C ATOM 152 O PHE A 11 2.060 2.995 -7.879 1.00 50.35 O ATOM 153 CB PHE A 11 1.817 -0.109 -6.480 1.00 40.10 C ATOM 154 CG PHE A 11 0.356 0.256 -6.594 1.00 60.25 C ATOM 155 CD1 PHE A 11 -0.382 -0.120 -7.706 1.00 12.33 C ATOM 156 CD2 PHE A 11 -0.277 0.975 -5.588 1.00 14.14 C ATOM 157 CE1 PHE A 11 -1.719 0.212 -7.813 1.00 43.23 C ATOM 158 CE2 PHE A 11 -1.612 1.309 -5.691 1.00 61.42 C ATOM 159 CZ PHE A 11 -2.334 0.928 -6.805 1.00 22.22 C ATOM 0 H PHE A 11 4.289 -0.210 -6.284 1.00 22.20 H new ATOM 0 HA PHE A 11 2.507 0.590 -8.406 1.00 42.53 H new ATOM 0 HB2 PHE A 11 1.939 -1.158 -6.750 1.00 40.10 H new ATOM 0 HB3 PHE A 11 2.124 -0.010 -5.439 1.00 40.10 H new ATOM 0 HD1 PHE A 11 0.094 -0.679 -8.498 1.00 12.33 H new ATOM 0 HD2 PHE A 11 0.282 1.276 -4.715 1.00 14.14 H new ATOM 0 HE1 PHE A 11 -2.282 -0.088 -8.684 1.00 43.23 H new ATOM 0 HE2 PHE A 11 -2.092 1.868 -4.901 1.00 61.42 H new ATOM 0 HZ PHE A 11 -3.379 1.190 -6.888 1.00 22.22 H new ATOM 169 N ILE A 12 2.969 2.653 -5.846 1.00 62.23 N ATOM 170 CA ILE A 12 2.726 4.023 -5.375 1.00 64.24 C ATOM 171 C ILE A 12 3.505 5.075 -6.198 1.00 32.32 C ATOM 172 O ILE A 12 3.098 6.238 -6.273 1.00 74.44 O ATOM 173 CB ILE A 12 3.064 4.168 -3.862 1.00 2.51 C ATOM 174 CG1 ILE A 12 2.570 5.520 -3.311 1.00 52.34 C ATOM 175 CG2 ILE A 12 4.562 4.004 -3.620 1.00 72.13 C ATOM 176 CD1 ILE A 12 1.072 5.711 -3.412 1.00 45.23 C ATOM 0 H ILE A 12 3.473 2.065 -5.182 1.00 62.23 H new ATOM 0 HA ILE A 12 1.662 4.214 -5.518 1.00 64.24 H new ATOM 0 HB ILE A 12 2.543 3.374 -3.327 1.00 2.51 H new ATOM 0 HG12 ILE A 12 2.868 5.607 -2.266 1.00 52.34 H new ATOM 0 HG13 ILE A 12 3.067 6.325 -3.852 1.00 52.34 H new ATOM 0 HG21 ILE A 12 4.772 4.110 -2.556 1.00 72.13 H new ATOM 0 HG22 ILE A 12 4.879 3.017 -3.956 1.00 72.13 H new ATOM 0 HG23 ILE A 12 5.106 4.768 -4.175 1.00 72.13 H new ATOM 0 HD11 ILE A 12 0.801 6.685 -3.004 1.00 45.23 H new ATOM 0 HD12 ILE A 12 0.768 5.658 -4.457 1.00 45.23 H new ATOM 0 HD13 ILE A 12 0.566 4.928 -2.847 1.00 45.23 H new ATOM 188 N MET A 13 4.617 4.665 -6.827 1.00 4.55 N ATOM 189 CA MET A 13 5.403 5.573 -7.686 1.00 10.41 C ATOM 190 C MET A 13 4.543 6.196 -8.804 1.00 62.01 C ATOM 191 O MET A 13 4.826 7.298 -9.277 1.00 64.00 O ATOM 192 CB MET A 13 6.604 4.841 -8.308 1.00 40.11 C ATOM 193 CG MET A 13 7.676 4.430 -7.305 1.00 55.21 C ATOM 194 SD MET A 13 9.106 3.659 -8.094 1.00 61.23 S ATOM 195 CE MET A 13 9.754 5.035 -9.047 1.00 12.40 C ATOM 0 H MET A 13 4.993 3.719 -6.760 1.00 4.55 H new ATOM 0 HA MET A 13 5.765 6.377 -7.045 1.00 10.41 H new ATOM 0 HB2 MET A 13 6.245 3.950 -8.823 1.00 40.11 H new ATOM 0 HB3 MET A 13 7.056 5.485 -9.062 1.00 40.11 H new ATOM 0 HG2 MET A 13 8.003 5.308 -6.748 1.00 55.21 H new ATOM 0 HG3 MET A 13 7.246 3.736 -6.583 1.00 55.21 H new ATOM 0 HE1 MET A 13 10.792 4.836 -9.313 1.00 12.40 H new ATOM 0 HE2 MET A 13 9.164 5.159 -9.955 1.00 12.40 H new ATOM 0 HE3 MET A 13 9.700 5.947 -8.452 1.00 12.40 H new ATOM 205 N GLY A 14 3.494 5.484 -9.218 1.00 13.51 N ATOM 206 CA GLY A 14 2.585 6.000 -10.238 1.00 54.24 C ATOM 207 C GLY A 14 1.833 7.254 -9.789 1.00 43.21 C ATOM 208 O GLY A 14 1.471 8.103 -10.607 1.00 30.34 O ATOM 0 H GLY A 14 3.255 4.557 -8.866 1.00 13.51 H new ATOM 0 HA2 GLY A 14 3.152 6.227 -11.141 1.00 54.24 H new ATOM 0 HA3 GLY A 14 1.864 5.225 -10.500 1.00 54.24 H new ATOM 212 N PHE A 15 1.606 7.376 -8.482 1.00 63.22 N ATOM 213 CA PHE A 15 0.906 8.538 -7.919 1.00 32.12 C ATOM 214 C PHE A 15 1.849 9.740 -7.746 1.00 23.51 C ATOM 215 O PHE A 15 1.409 10.889 -7.750 1.00 73.14 O ATOM 216 CB PHE A 15 0.262 8.169 -6.576 1.00 61.05 C ATOM 217 CG PHE A 15 -0.806 7.107 -6.692 1.00 41.00 C ATOM 218 CD1 PHE A 15 -0.472 5.759 -6.687 1.00 11.41 C ATOM 219 CD2 PHE A 15 -2.145 7.459 -6.810 1.00 70.32 C ATOM 220 CE1 PHE A 15 -1.449 4.787 -6.794 1.00 34.25 C ATOM 221 CE2 PHE A 15 -3.125 6.488 -6.919 1.00 34.34 C ATOM 222 CZ PHE A 15 -2.777 5.153 -6.910 1.00 62.52 C ATOM 0 H PHE A 15 1.896 6.685 -7.789 1.00 63.22 H new ATOM 0 HA PHE A 15 0.126 8.829 -8.623 1.00 32.12 H new ATOM 0 HB2 PHE A 15 1.037 7.820 -5.894 1.00 61.05 H new ATOM 0 HB3 PHE A 15 -0.174 9.064 -6.133 1.00 61.05 H new ATOM 0 HD1 PHE A 15 0.564 5.467 -6.598 1.00 11.41 H new ATOM 0 HD2 PHE A 15 -2.424 8.502 -6.817 1.00 70.32 H new ATOM 0 HE1 PHE A 15 -1.175 3.742 -6.787 1.00 34.25 H new ATOM 0 HE2 PHE A 15 -4.162 6.775 -7.011 1.00 34.34 H new ATOM 0 HZ PHE A 15 -3.541 4.395 -6.994 1.00 62.52 H new ATOM 232 N GLN A 16 3.149 9.471 -7.601 1.00 1.31 N ATOM 233 CA GLN A 16 4.151 10.539 -7.466 1.00 61.45 C ATOM 234 C GLN A 16 4.720 10.947 -8.840 1.00 62.32 C ATOM 235 O GLN A 16 5.656 11.741 -8.931 1.00 12.31 O ATOM 236 CB GLN A 16 5.270 10.104 -6.498 1.00 72.12 C ATOM 237 CG GLN A 16 6.319 11.186 -6.204 1.00 50.03 C ATOM 238 CD GLN A 16 5.715 12.519 -5.773 1.00 14.22 C ATOM 239 OE1 GLN A 16 5.495 12.773 -4.595 1.00 55.22 O ATOM 240 NE2 GLN A 16 5.445 13.385 -6.727 1.00 11.41 N ATOM 0 H GLN A 16 3.535 8.527 -7.574 1.00 1.31 H new ATOM 0 HA GLN A 16 3.662 11.418 -7.046 1.00 61.45 H new ATOM 0 HB2 GLN A 16 4.817 9.791 -5.557 1.00 72.12 H new ATOM 0 HB3 GLN A 16 5.774 9.232 -6.915 1.00 72.12 H new ATOM 0 HG2 GLN A 16 6.988 10.829 -5.421 1.00 50.03 H new ATOM 0 HG3 GLN A 16 6.927 11.343 -7.095 1.00 50.03 H new ATOM 0 HE21 GLN A 16 5.638 13.148 -7.700 1.00 11.41 H new ATOM 0 HE22 GLN A 16 5.043 14.293 -6.493 1.00 11.41 H new ATOM 249 N ASN A 17 4.139 10.421 -9.916 1.00 53.42 N ATOM 250 CA ASN A 17 4.502 10.865 -11.265 1.00 1.15 C ATOM 251 C ASN A 17 4.175 12.362 -11.417 1.00 42.34 C ATOM 252 O ASN A 17 4.877 13.109 -12.103 1.00 53.31 O ATOM 253 CB ASN A 17 3.757 10.039 -12.319 1.00 73.40 C ATOM 254 CG ASN A 17 4.310 10.248 -13.718 1.00 23.11 C ATOM 255 OD1 ASN A 17 3.887 11.139 -14.445 1.00 32.22 O ATOM 256 ND2 ASN A 17 5.267 9.426 -14.104 1.00 15.33 N ATOM 0 H ASN A 17 3.423 9.695 -9.885 1.00 53.42 H new ATOM 0 HA ASN A 17 5.571 10.718 -11.416 1.00 1.15 H new ATOM 0 HB2 ASN A 17 3.822 8.982 -12.060 1.00 73.40 H new ATOM 0 HB3 ASN A 17 2.700 10.306 -12.306 1.00 73.40 H new ATOM 0 HD21 ASN A 17 5.678 9.522 -15.033 1.00 15.33 H new ATOM 0 HD22 ASN A 17 5.596 8.695 -13.474 1.00 15.33 H new ATOM 263 N ASP A 18 3.091 12.778 -10.762 1.00 55.42 N ATOM 264 CA ASP A 18 2.724 14.190 -10.635 1.00 21.31 C ATOM 265 C ASP A 18 2.564 14.561 -9.145 1.00 64.02 C ATOM 266 O ASP A 18 2.697 13.703 -8.270 1.00 62.40 O ATOM 267 CB ASP A 18 1.437 14.470 -11.427 1.00 45.04 C ATOM 268 CG ASP A 18 0.270 13.595 -10.992 1.00 2.34 C ATOM 269 OD1 ASP A 18 0.338 12.361 -11.186 1.00 20.35 O ATOM 270 OD2 ASP A 18 -0.728 14.140 -10.472 1.00 61.01 O ATOM 0 H ASP A 18 2.439 12.142 -10.302 1.00 55.42 H new ATOM 0 HA ASP A 18 3.516 14.812 -11.052 1.00 21.31 H new ATOM 0 HB2 ASP A 18 1.163 15.518 -11.306 1.00 45.04 H new ATOM 0 HB3 ASP A 18 1.628 14.311 -12.488 1.00 45.04 H new ATOM 275 N ASN A 19 2.288 15.830 -8.850 1.00 34.21 N ATOM 276 CA ASN A 19 2.208 16.290 -7.452 1.00 55.14 C ATOM 277 C ASN A 19 0.849 15.962 -6.806 1.00 1.20 C ATOM 278 O ASN A 19 -0.159 16.626 -7.064 1.00 53.52 O ATOM 279 CB ASN A 19 2.492 17.794 -7.366 1.00 60.12 C ATOM 280 CG ASN A 19 3.876 18.150 -7.885 1.00 35.42 C ATOM 281 OD1 ASN A 19 4.799 17.340 -7.853 1.00 5.32 O ATOM 282 ND2 ASN A 19 4.036 19.367 -8.355 1.00 3.01 N ATOM 0 H ASN A 19 2.117 16.556 -9.546 1.00 34.21 H new ATOM 0 HA ASN A 19 2.970 15.749 -6.891 1.00 55.14 H new ATOM 0 HB2 ASN A 19 1.741 18.337 -7.939 1.00 60.12 H new ATOM 0 HB3 ASN A 19 2.400 18.120 -6.330 1.00 60.12 H new ATOM 0 HD21 ASN A 19 4.947 19.662 -8.707 1.00 3.01 H new ATOM 0 HD22 ASN A 19 3.249 20.016 -8.368 1.00 3.01 H new ATOM 289 N THR A 20 0.832 14.922 -5.968 1.00 61.34 N ATOM 290 CA THR A 20 -0.387 14.492 -5.258 1.00 63.42 C ATOM 291 C THR A 20 -0.099 14.216 -3.772 1.00 21.13 C ATOM 292 O THR A 20 1.036 13.898 -3.402 1.00 42.31 O ATOM 293 CB THR A 20 -0.990 13.197 -5.868 1.00 52.12 C ATOM 294 OG1 THR A 20 -0.076 12.102 -5.705 1.00 52.33 O ATOM 295 CG2 THR A 20 -1.322 13.374 -7.346 1.00 62.11 C ATOM 0 H THR A 20 1.654 14.355 -5.760 1.00 61.34 H new ATOM 0 HA THR A 20 -1.098 15.312 -5.362 1.00 63.42 H new ATOM 0 HB THR A 20 -1.917 12.982 -5.336 1.00 52.12 H new ATOM 0 HG1 THR A 20 0.299 11.856 -6.577 1.00 52.33 H new ATOM 0 HG21 THR A 20 -1.742 12.448 -7.738 1.00 62.11 H new ATOM 0 HG22 THR A 20 -2.048 14.179 -7.462 1.00 62.11 H new ATOM 0 HG23 THR A 20 -0.414 13.622 -7.896 1.00 62.11 H new ATOM 303 N PRO A 21 -1.123 14.322 -2.893 1.00 44.44 N ATOM 304 CA PRO A 21 -0.985 13.961 -1.467 1.00 4.11 C ATOM 305 C PRO A 21 -0.560 12.493 -1.281 1.00 51.35 C ATOM 306 O PRO A 21 0.169 12.156 -0.350 1.00 70.45 O ATOM 307 CB PRO A 21 -2.392 14.207 -0.887 1.00 70.33 C ATOM 308 CG PRO A 21 -3.302 14.246 -2.073 1.00 62.15 C ATOM 309 CD PRO A 21 -2.479 14.809 -3.201 1.00 73.31 C ATOM 0 HA PRO A 21 -0.210 14.544 -0.970 1.00 4.11 H new ATOM 0 HB2 PRO A 21 -2.678 13.413 -0.197 1.00 70.33 H new ATOM 0 HB3 PRO A 21 -2.430 15.143 -0.330 1.00 70.33 H new ATOM 0 HG2 PRO A 21 -3.670 13.249 -2.317 1.00 62.15 H new ATOM 0 HG3 PRO A 21 -4.175 14.869 -1.876 1.00 62.15 H new ATOM 0 HD2 PRO A 21 -2.826 14.453 -4.171 1.00 73.31 H new ATOM 0 HD3 PRO A 21 -2.521 15.898 -3.228 1.00 73.31 H new ATOM 317 N PHE A 22 -1.015 11.631 -2.193 1.00 10.02 N ATOM 318 CA PHE A 22 -0.617 10.218 -2.203 1.00 70.14 C ATOM 319 C PHE A 22 0.867 10.080 -2.575 1.00 45.44 C ATOM 320 O PHE A 22 1.594 9.262 -2.009 1.00 22.23 O ATOM 321 CB PHE A 22 -1.480 9.431 -3.199 1.00 11.14 C ATOM 322 CG PHE A 22 -2.960 9.482 -2.898 1.00 20.12 C ATOM 323 CD1 PHE A 22 -3.745 10.529 -3.366 1.00 14.35 C ATOM 324 CD2 PHE A 22 -3.564 8.485 -2.142 1.00 30.32 C ATOM 325 CE1 PHE A 22 -5.098 10.578 -3.087 1.00 70.34 C ATOM 326 CE2 PHE A 22 -4.916 8.532 -1.862 1.00 13.35 C ATOM 327 CZ PHE A 22 -5.684 9.578 -2.334 1.00 71.54 C ATOM 0 H PHE A 22 -1.663 11.887 -2.938 1.00 10.02 H new ATOM 0 HA PHE A 22 -0.767 9.811 -1.203 1.00 70.14 H new ATOM 0 HB2 PHE A 22 -1.309 9.823 -4.202 1.00 11.14 H new ATOM 0 HB3 PHE A 22 -1.155 8.390 -3.203 1.00 11.14 H new ATOM 0 HD1 PHE A 22 -3.293 11.313 -3.955 1.00 14.35 H new ATOM 0 HD2 PHE A 22 -2.970 7.664 -1.769 1.00 30.32 H new ATOM 0 HE1 PHE A 22 -5.697 11.397 -3.457 1.00 70.34 H new ATOM 0 HE2 PHE A 22 -5.373 7.750 -1.273 1.00 13.35 H new ATOM 0 HZ PHE A 22 -6.741 9.615 -2.115 1.00 71.54 H new ATOM 337 N GLY A 23 1.305 10.897 -3.537 1.00 12.52 N ATOM 338 CA GLY A 23 2.701 10.898 -3.953 1.00 52.02 C ATOM 339 C GLY A 23 3.661 11.271 -2.828 1.00 22.24 C ATOM 340 O GLY A 23 4.792 10.785 -2.788 1.00 4.20 O ATOM 0 H GLY A 23 0.713 11.561 -4.037 1.00 12.52 H new ATOM 0 HA2 GLY A 23 2.962 9.910 -4.332 1.00 52.02 H new ATOM 0 HA3 GLY A 23 2.827 11.599 -4.778 1.00 52.02 H new ATOM 344 N ILE A 24 3.210 12.132 -1.910 1.00 63.33 N ATOM 345 CA ILE A 24 4.027 12.547 -0.761 1.00 10.14 C ATOM 346 C ILE A 24 4.604 11.325 -0.026 1.00 5.40 C ATOM 347 O ILE A 24 5.780 11.305 0.345 1.00 23.23 O ATOM 348 CB ILE A 24 3.205 13.413 0.234 1.00 53.35 C ATOM 349 CG1 ILE A 24 2.657 14.674 -0.464 1.00 31.22 C ATOM 350 CG2 ILE A 24 4.049 13.796 1.452 1.00 2.43 C ATOM 351 CD1 ILE A 24 3.730 15.604 -1.005 1.00 14.52 C ATOM 0 H ILE A 24 2.283 12.556 -1.939 1.00 63.33 H new ATOM 0 HA ILE A 24 4.849 13.148 -1.150 1.00 10.14 H new ATOM 0 HB ILE A 24 2.360 12.818 0.580 1.00 53.35 H new ATOM 0 HG12 ILE A 24 2.010 14.368 -1.286 1.00 31.22 H new ATOM 0 HG13 ILE A 24 2.037 15.226 0.242 1.00 31.22 H new ATOM 0 HG21 ILE A 24 3.451 14.402 2.133 1.00 2.43 H new ATOM 0 HG22 ILE A 24 4.379 12.892 1.965 1.00 2.43 H new ATOM 0 HG23 ILE A 24 4.919 14.367 1.127 1.00 2.43 H new ATOM 0 HD11 ILE A 24 3.260 16.465 -1.480 1.00 14.52 H new ATOM 0 HD12 ILE A 24 4.364 15.943 -0.186 1.00 14.52 H new ATOM 0 HD13 ILE A 24 4.337 15.072 -1.738 1.00 14.52 H new ATOM 363 N LEU A 25 3.775 10.301 0.157 1.00 0.11 N ATOM 364 CA LEU A 25 4.214 9.044 0.771 1.00 21.14 C ATOM 365 C LEU A 25 5.333 8.401 -0.071 1.00 44.43 C ATOM 366 O LEU A 25 6.414 8.093 0.439 1.00 12.15 O ATOM 367 CB LEU A 25 3.003 8.092 0.912 1.00 63.24 C ATOM 368 CG LEU A 25 3.195 6.832 1.791 1.00 13.32 C ATOM 369 CD1 LEU A 25 4.035 5.767 1.086 1.00 2.22 C ATOM 370 CD2 LEU A 25 3.814 7.205 3.139 1.00 22.31 C ATOM 0 H LEU A 25 2.791 10.314 -0.111 1.00 0.11 H new ATOM 0 HA LEU A 25 4.618 9.243 1.763 1.00 21.14 H new ATOM 0 HB2 LEU A 25 2.169 8.664 1.318 1.00 63.24 H new ATOM 0 HB3 LEU A 25 2.710 7.767 -0.086 1.00 63.24 H new ATOM 0 HG LEU A 25 2.208 6.403 1.966 1.00 13.32 H new ATOM 0 HD11 LEU A 25 4.145 4.900 1.738 1.00 2.22 H new ATOM 0 HD12 LEU A 25 3.541 5.466 0.162 1.00 2.22 H new ATOM 0 HD13 LEU A 25 5.019 6.174 0.855 1.00 2.22 H new ATOM 0 HD21 LEU A 25 3.941 6.306 3.742 1.00 22.31 H new ATOM 0 HD22 LEU A 25 4.785 7.673 2.976 1.00 22.31 H new ATOM 0 HD23 LEU A 25 3.158 7.902 3.660 1.00 22.31 H new ATOM 382 N ALA A 26 5.070 8.237 -1.370 1.00 64.25 N ATOM 383 CA ALA A 26 6.020 7.605 -2.298 1.00 40.11 C ATOM 384 C ALA A 26 7.388 8.305 -2.295 1.00 64.30 C ATOM 385 O ALA A 26 8.431 7.661 -2.162 1.00 20.43 O ATOM 386 CB ALA A 26 5.447 7.602 -3.714 1.00 60.45 C ATOM 0 H ALA A 26 4.199 8.535 -1.809 1.00 64.25 H new ATOM 0 HA ALA A 26 6.172 6.581 -1.957 1.00 40.11 H new ATOM 0 HB1 ALA A 26 6.158 7.132 -4.393 1.00 60.45 H new ATOM 0 HB2 ALA A 26 4.510 7.044 -3.726 1.00 60.45 H new ATOM 0 HB3 ALA A 26 5.263 8.628 -4.034 1.00 60.45 H new ATOM 392 N GLU A 27 7.380 9.625 -2.438 1.00 31.40 N ATOM 393 CA GLU A 27 8.623 10.394 -2.505 1.00 12.05 C ATOM 394 C GLU A 27 9.335 10.436 -1.142 1.00 73.10 C ATOM 395 O GLU A 27 10.561 10.347 -1.072 1.00 12.32 O ATOM 396 CB GLU A 27 8.346 11.818 -3.006 1.00 70.32 C ATOM 397 CG GLU A 27 9.609 12.614 -3.320 1.00 12.41 C ATOM 398 CD GLU A 27 9.310 13.983 -3.905 1.00 72.44 C ATOM 399 OE1 GLU A 27 9.009 14.066 -5.114 1.00 61.24 O ATOM 400 OE2 GLU A 27 9.370 14.985 -3.161 1.00 60.12 O ATOM 0 H GLU A 27 6.531 10.186 -2.510 1.00 31.40 H new ATOM 0 HA GLU A 27 9.285 9.893 -3.211 1.00 12.05 H new ATOM 0 HB2 GLU A 27 7.729 11.765 -3.903 1.00 70.32 H new ATOM 0 HB3 GLU A 27 7.768 12.353 -2.252 1.00 70.32 H new ATOM 0 HG2 GLU A 27 10.194 12.733 -2.408 1.00 12.41 H new ATOM 0 HG3 GLU A 27 10.224 12.050 -4.022 1.00 12.41 H new ATOM 407 N HIS A 28 8.567 10.547 -0.057 1.00 1.03 N ATOM 408 CA HIS A 28 9.155 10.620 1.284 1.00 21.33 C ATOM 409 C HIS A 28 9.845 9.300 1.678 1.00 52.04 C ATOM 410 O HIS A 28 10.890 9.314 2.325 1.00 31.54 O ATOM 411 CB HIS A 28 8.099 10.999 2.327 1.00 53.54 C ATOM 412 CG HIS A 28 8.676 11.251 3.689 1.00 30.43 C ATOM 413 ND1 HIS A 28 9.431 12.364 3.995 1.00 41.13 N ATOM 414 CD2 HIS A 28 8.618 10.519 4.828 1.00 5.34 C ATOM 415 CE1 HIS A 28 9.810 12.307 5.254 1.00 62.34 C ATOM 416 NE2 HIS A 28 9.329 11.201 5.781 1.00 12.03 N ATOM 0 H HIS A 28 7.548 10.588 -0.077 1.00 1.03 H new ATOM 0 HA HIS A 28 9.916 11.400 1.258 1.00 21.33 H new ATOM 0 HB2 HIS A 28 7.571 11.892 1.992 1.00 53.54 H new ATOM 0 HB3 HIS A 28 7.361 10.200 2.394 1.00 53.54 H new ATOM 0 HD2 HIS A 28 8.108 9.576 4.960 1.00 5.34 H new ATOM 0 HE1 HIS A 28 10.413 13.042 5.767 1.00 62.34 H new ATOM 0 HE2 HIS A 28 9.464 10.899 6.746 1.00 12.03 H new ATOM 425 N VAL A 29 9.260 8.160 1.296 1.00 11.42 N ATOM 426 CA VAL A 29 9.897 6.854 1.555 1.00 1.25 C ATOM 427 C VAL A 29 11.097 6.637 0.617 1.00 53.04 C ATOM 428 O VAL A 29 12.027 5.898 0.939 1.00 55.10 O ATOM 429 CB VAL A 29 8.901 5.670 1.423 1.00 41.14 C ATOM 430 CG1 VAL A 29 7.752 5.820 2.420 1.00 64.23 C ATOM 431 CG2 VAL A 29 8.373 5.543 -0.006 1.00 34.12 C ATOM 0 H VAL A 29 8.362 8.108 0.814 1.00 11.42 H new ATOM 0 HA VAL A 29 10.245 6.876 2.588 1.00 1.25 H new ATOM 0 HB VAL A 29 9.439 4.751 1.656 1.00 41.14 H new ATOM 0 HG11 VAL A 29 7.065 4.981 2.312 1.00 64.23 H new ATOM 0 HG12 VAL A 29 8.150 5.835 3.435 1.00 64.23 H new ATOM 0 HG13 VAL A 29 7.221 6.752 2.225 1.00 64.23 H new ATOM 0 HG21 VAL A 29 7.679 4.705 -0.064 1.00 34.12 H new ATOM 0 HG22 VAL A 29 7.858 6.462 -0.286 1.00 34.12 H new ATOM 0 HG23 VAL A 29 9.206 5.372 -0.688 1.00 34.12 H new ATOM 441 N SER A 30 11.064 7.288 -0.547 1.00 23.25 N ATOM 442 CA SER A 30 12.222 7.323 -1.453 1.00 60.00 C ATOM 443 C SER A 30 13.354 8.167 -0.843 1.00 44.21 C ATOM 444 O SER A 30 14.538 7.854 -0.991 1.00 24.00 O ATOM 445 CB SER A 30 11.814 7.898 -2.820 1.00 11.03 C ATOM 446 OG SER A 30 12.930 8.032 -3.688 1.00 45.21 O ATOM 0 H SER A 30 10.250 7.799 -0.888 1.00 23.25 H new ATOM 0 HA SER A 30 12.581 6.304 -1.593 1.00 60.00 H new ATOM 0 HB2 SER A 30 11.071 7.248 -3.281 1.00 11.03 H new ATOM 0 HB3 SER A 30 11.343 8.871 -2.680 1.00 11.03 H new ATOM 0 HG SER A 30 12.634 8.398 -4.547 1.00 45.21 H new ATOM 452 N GLU A 31 12.962 9.242 -0.161 1.00 30.41 N ATOM 453 CA GLU A 31 13.888 10.102 0.587 1.00 41.43 C ATOM 454 C GLU A 31 14.479 9.365 1.804 1.00 3.12 C ATOM 455 O GLU A 31 15.645 9.556 2.167 1.00 24.25 O ATOM 456 CB GLU A 31 13.124 11.354 1.053 1.00 14.40 C ATOM 457 CG GLU A 31 13.944 12.340 1.876 1.00 41.33 C ATOM 458 CD GLU A 31 13.073 13.412 2.513 1.00 63.24 C ATOM 459 OE1 GLU A 31 12.847 14.462 1.879 1.00 40.22 O ATOM 460 OE2 GLU A 31 12.595 13.197 3.647 1.00 12.31 O ATOM 0 H GLU A 31 11.990 9.545 -0.109 1.00 30.41 H new ATOM 0 HA GLU A 31 14.717 10.381 -0.063 1.00 41.43 H new ATOM 0 HB2 GLU A 31 12.735 11.871 0.176 1.00 14.40 H new ATOM 0 HB3 GLU A 31 12.264 11.038 1.644 1.00 14.40 H new ATOM 0 HG2 GLU A 31 14.484 11.801 2.655 1.00 41.33 H new ATOM 0 HG3 GLU A 31 14.691 12.812 1.238 1.00 41.33 H new ATOM 467 N ASP A 32 13.661 8.520 2.422 1.00 25.54 N ATOM 468 CA ASP A 32 14.053 7.772 3.619 1.00 53.31 C ATOM 469 C ASP A 32 15.152 6.729 3.322 1.00 40.03 C ATOM 470 O ASP A 32 15.424 6.395 2.164 1.00 51.11 O ATOM 471 CB ASP A 32 12.810 7.095 4.219 1.00 65.15 C ATOM 472 CG ASP A 32 13.105 6.335 5.503 1.00 60.20 C ATOM 473 OD1 ASP A 32 13.483 6.975 6.509 1.00 4.11 O ATOM 474 OD2 ASP A 32 12.971 5.094 5.516 1.00 24.44 O ATOM 0 H ASP A 32 12.708 8.332 2.111 1.00 25.54 H new ATOM 0 HA ASP A 32 14.476 8.474 4.337 1.00 53.31 H new ATOM 0 HB2 ASP A 32 12.052 7.852 4.418 1.00 65.15 H new ATOM 0 HB3 ASP A 32 12.389 6.407 3.486 1.00 65.15 H new ATOM 479 N LYS A 33 15.775 6.229 4.393 1.00 44.05 N ATOM 480 CA LYS A 33 16.850 5.224 4.319 1.00 11.45 C ATOM 481 C LYS A 33 16.552 4.091 3.318 1.00 72.35 C ATOM 482 O LYS A 33 17.438 3.682 2.568 1.00 4.25 O ATOM 483 CB LYS A 33 17.081 4.638 5.722 1.00 63.40 C ATOM 484 CG LYS A 33 15.806 4.103 6.363 1.00 63.20 C ATOM 485 CD LYS A 33 15.956 3.843 7.858 1.00 21.43 C ATOM 486 CE LYS A 33 14.600 3.575 8.504 1.00 14.43 C ATOM 487 NZ LYS A 33 13.639 4.684 8.248 1.00 62.31 N ATOM 0 H LYS A 33 15.548 6.510 5.347 1.00 44.05 H new ATOM 0 HA LYS A 33 17.746 5.728 3.956 1.00 11.45 H new ATOM 0 HB2 LYS A 33 17.813 3.833 5.657 1.00 63.40 H new ATOM 0 HB3 LYS A 33 17.509 5.407 6.365 1.00 63.40 H new ATOM 0 HG2 LYS A 33 14.998 4.817 6.203 1.00 63.20 H new ATOM 0 HG3 LYS A 33 15.516 3.177 5.866 1.00 63.20 H new ATOM 0 HD2 LYS A 33 16.614 2.989 8.018 1.00 21.43 H new ATOM 0 HD3 LYS A 33 16.427 4.703 8.335 1.00 21.43 H new ATOM 0 HE2 LYS A 33 14.191 2.642 8.117 1.00 14.43 H new ATOM 0 HE3 LYS A 33 14.728 3.445 9.579 1.00 14.43 H new ATOM 0 HZ1 LYS A 33 12.856 4.629 8.930 1.00 62.31 H new ATOM 0 HZ2 LYS A 33 14.126 5.597 8.354 1.00 62.31 H new ATOM 0 HZ3 LYS A 33 13.263 4.602 7.282 1.00 62.31 H new ATOM 501 N ALA A 34 15.310 3.593 3.315 1.00 73.02 N ATOM 502 CA ALA A 34 14.909 2.470 2.448 1.00 22.12 C ATOM 503 C ALA A 34 15.671 1.170 2.791 1.00 23.42 C ATOM 504 O ALA A 34 16.901 1.156 2.886 1.00 3.34 O ATOM 505 CB ALA A 34 15.095 2.828 0.973 1.00 14.01 C ATOM 0 H ALA A 34 14.559 3.950 3.906 1.00 73.02 H new ATOM 0 HA ALA A 34 13.851 2.285 2.632 1.00 22.12 H new ATOM 0 HB1 ALA A 34 14.793 1.984 0.353 1.00 14.01 H new ATOM 0 HB2 ALA A 34 14.482 3.696 0.729 1.00 14.01 H new ATOM 0 HB3 ALA A 34 16.143 3.060 0.784 1.00 14.01 H new ATOM 511 N PHE A 35 14.934 0.074 2.964 1.00 23.05 N ATOM 512 CA PHE A 35 15.540 -1.212 3.336 1.00 24.15 C ATOM 513 C PHE A 35 14.661 -2.402 2.901 1.00 3.03 C ATOM 514 O PHE A 35 13.482 -2.462 3.250 1.00 75.31 O ATOM 515 CB PHE A 35 15.774 -1.260 4.856 1.00 43.12 C ATOM 516 CG PHE A 35 16.432 -2.534 5.337 1.00 61.15 C ATOM 517 CD1 PHE A 35 17.784 -2.755 5.114 1.00 54.03 C ATOM 518 CD2 PHE A 35 15.699 -3.505 6.009 1.00 63.24 C ATOM 519 CE1 PHE A 35 18.392 -3.916 5.550 1.00 31.23 C ATOM 520 CE2 PHE A 35 16.304 -4.667 6.447 1.00 50.35 C ATOM 521 CZ PHE A 35 17.651 -4.872 6.218 1.00 32.11 C ATOM 0 H PHE A 35 13.920 0.046 2.854 1.00 23.05 H new ATOM 0 HA PHE A 35 16.494 -1.295 2.816 1.00 24.15 H new ATOM 0 HB2 PHE A 35 16.394 -0.411 5.145 1.00 43.12 H new ATOM 0 HB3 PHE A 35 14.817 -1.143 5.365 1.00 43.12 H new ATOM 0 HD1 PHE A 35 18.368 -2.010 4.593 1.00 54.03 H new ATOM 0 HD2 PHE A 35 14.646 -3.349 6.191 1.00 63.24 H new ATOM 0 HE1 PHE A 35 19.445 -4.076 5.369 1.00 31.23 H new ATOM 0 HE2 PHE A 35 15.725 -5.415 6.968 1.00 50.35 H new ATOM 0 HZ PHE A 35 18.125 -5.780 6.561 1.00 32.11 H new ATOM 531 N PRO A 36 15.224 -3.354 2.123 1.00 25.45 N ATOM 532 CA PRO A 36 14.515 -4.590 1.729 1.00 10.01 C ATOM 533 C PRO A 36 14.136 -5.467 2.940 1.00 21.05 C ATOM 534 O PRO A 36 15.002 -5.904 3.703 1.00 22.24 O ATOM 535 CB PRO A 36 15.531 -5.318 0.826 1.00 63.10 C ATOM 536 CG PRO A 36 16.494 -4.260 0.396 1.00 71.43 C ATOM 537 CD PRO A 36 16.578 -3.294 1.544 1.00 61.41 C ATOM 0 HA PRO A 36 13.568 -4.373 1.235 1.00 10.01 H new ATOM 0 HB2 PRO A 36 16.038 -6.117 1.367 1.00 63.10 H new ATOM 0 HB3 PRO A 36 15.039 -5.776 -0.032 1.00 63.10 H new ATOM 0 HG2 PRO A 36 17.471 -4.688 0.172 1.00 71.43 H new ATOM 0 HG3 PRO A 36 16.149 -3.762 -0.510 1.00 71.43 H new ATOM 0 HD2 PRO A 36 17.340 -3.589 2.266 1.00 61.41 H new ATOM 0 HD3 PRO A 36 16.830 -2.288 1.208 1.00 61.41 H new ATOM 545 N ARG A 37 12.840 -5.729 3.109 1.00 64.41 N ATOM 546 CA ARG A 37 12.337 -6.458 4.285 1.00 51.04 C ATOM 547 C ARG A 37 11.616 -7.764 3.891 1.00 55.34 C ATOM 548 O ARG A 37 11.720 -8.777 4.590 1.00 31.55 O ATOM 549 CB ARG A 37 11.380 -5.558 5.075 1.00 20.33 C ATOM 550 CG ARG A 37 11.980 -4.218 5.492 1.00 31.15 C ATOM 551 CD ARG A 37 10.934 -3.300 6.114 1.00 40.42 C ATOM 552 NE ARG A 37 10.353 -3.870 7.327 1.00 15.21 N ATOM 553 CZ ARG A 37 9.548 -3.232 8.129 1.00 50.43 C ATOM 554 NH1 ARG A 37 9.182 -2.014 7.870 1.00 21.44 N ATOM 555 NH2 ARG A 37 9.106 -3.817 9.193 1.00 72.40 N ATOM 0 H ARG A 37 12.115 -5.449 2.449 1.00 64.41 H new ATOM 0 HA ARG A 37 13.195 -6.728 4.901 1.00 51.04 H new ATOM 0 HB2 ARG A 37 10.492 -5.373 4.471 1.00 20.33 H new ATOM 0 HB3 ARG A 37 11.053 -6.090 5.968 1.00 20.33 H new ATOM 0 HG2 ARG A 37 12.786 -4.387 6.206 1.00 31.15 H new ATOM 0 HG3 ARG A 37 12.421 -3.731 4.622 1.00 31.15 H new ATOM 0 HD2 ARG A 37 11.390 -2.338 6.349 1.00 40.42 H new ATOM 0 HD3 ARG A 37 10.143 -3.109 5.389 1.00 40.42 H new ATOM 0 HE ARG A 37 10.594 -4.833 7.562 1.00 15.21 H new ATOM 0 HH11 ARG A 37 9.525 -1.546 7.031 1.00 21.44 H new ATOM 0 HH12 ARG A 37 8.551 -1.525 8.505 1.00 21.44 H new ATOM 0 HH21 ARG A 37 9.387 -4.775 9.403 1.00 72.40 H new ATOM 0 HH22 ARG A 37 8.476 -3.321 9.823 1.00 72.40 H new ATOM 569 N LEU A 38 10.905 -7.730 2.763 1.00 63.35 N ATOM 570 CA LEU A 38 10.106 -8.868 2.273 1.00 12.30 C ATOM 571 C LEU A 38 8.976 -9.243 3.252 1.00 34.23 C ATOM 572 O LEU A 38 9.095 -10.192 4.031 1.00 12.41 O ATOM 573 CB LEU A 38 10.985 -10.103 1.971 1.00 31.41 C ATOM 574 CG LEU A 38 11.978 -9.959 0.799 1.00 55.43 C ATOM 575 CD1 LEU A 38 13.174 -9.089 1.183 1.00 71.11 C ATOM 576 CD2 LEU A 38 12.439 -11.333 0.315 1.00 42.33 C ATOM 0 H LEU A 38 10.863 -6.911 2.156 1.00 63.35 H new ATOM 0 HA LEU A 38 9.649 -8.541 1.339 1.00 12.30 H new ATOM 0 HB2 LEU A 38 11.549 -10.351 2.870 1.00 31.41 H new ATOM 0 HB3 LEU A 38 10.329 -10.948 1.763 1.00 31.41 H new ATOM 0 HG LEU A 38 11.458 -9.460 -0.019 1.00 55.43 H new ATOM 0 HD11 LEU A 38 13.853 -9.009 0.334 1.00 71.11 H new ATOM 0 HD12 LEU A 38 12.826 -8.095 1.464 1.00 71.11 H new ATOM 0 HD13 LEU A 38 13.698 -9.542 2.025 1.00 71.11 H new ATOM 0 HD21 LEU A 38 13.139 -11.212 -0.512 1.00 42.33 H new ATOM 0 HD22 LEU A 38 12.931 -11.860 1.132 1.00 42.33 H new ATOM 0 HD23 LEU A 38 11.577 -11.909 -0.021 1.00 42.33 H new ATOM 588 N GLU A 39 7.883 -8.479 3.210 1.00 21.32 N ATOM 589 CA GLU A 39 6.700 -8.752 4.040 1.00 51.32 C ATOM 590 C GLU A 39 5.793 -9.816 3.410 1.00 45.43 C ATOM 591 O GLU A 39 5.024 -10.472 4.117 1.00 30.31 O ATOM 592 CB GLU A 39 5.900 -7.459 4.280 1.00 32.14 C ATOM 593 CG GLU A 39 6.436 -6.589 5.417 1.00 30.21 C ATOM 594 CD GLU A 39 7.924 -6.301 5.304 1.00 11.30 C ATOM 595 OE1 GLU A 39 8.321 -5.571 4.371 1.00 52.03 O ATOM 596 OE2 GLU A 39 8.697 -6.805 6.156 1.00 74.24 O ATOM 0 H GLU A 39 7.789 -7.661 2.608 1.00 21.32 H new ATOM 0 HA GLU A 39 7.057 -9.139 4.994 1.00 51.32 H new ATOM 0 HB2 GLU A 39 5.895 -6.873 3.361 1.00 32.14 H new ATOM 0 HB3 GLU A 39 4.864 -7.721 4.496 1.00 32.14 H new ATOM 0 HG2 GLU A 39 5.891 -5.645 5.431 1.00 30.21 H new ATOM 0 HG3 GLU A 39 6.240 -7.085 6.368 1.00 30.21 H new ATOM 603 N GLU A 40 5.875 -9.971 2.085 1.00 20.35 N ATOM 604 CA GLU A 40 5.086 -10.973 1.350 1.00 41.04 C ATOM 605 C GLU A 40 3.575 -10.669 1.373 1.00 43.52 C ATOM 606 O GLU A 40 3.000 -10.256 0.363 1.00 34.41 O ATOM 607 CB GLU A 40 5.355 -12.386 1.902 1.00 52.41 C ATOM 608 CG GLU A 40 4.437 -13.463 1.326 1.00 25.44 C ATOM 609 CD GLU A 40 4.740 -14.848 1.871 1.00 54.34 C ATOM 610 OE1 GLU A 40 4.412 -15.117 3.047 1.00 44.34 O ATOM 611 OE2 GLU A 40 5.303 -15.677 1.124 1.00 11.13 O ATOM 0 H GLU A 40 6.486 -9.410 1.491 1.00 20.35 H new ATOM 0 HA GLU A 40 5.408 -10.926 0.310 1.00 41.04 H new ATOM 0 HB2 GLU A 40 6.390 -12.656 1.693 1.00 52.41 H new ATOM 0 HB3 GLU A 40 5.243 -12.369 2.986 1.00 52.41 H new ATOM 0 HG2 GLU A 40 3.401 -13.208 1.549 1.00 25.44 H new ATOM 0 HG3 GLU A 40 4.535 -13.475 0.241 1.00 25.44 H new ATOM 618 N ARG A 41 2.938 -10.874 2.525 1.00 72.51 N ATOM 619 CA ARG A 41 1.484 -10.720 2.650 1.00 74.34 C ATOM 620 C ARG A 41 1.045 -9.252 2.510 1.00 43.03 C ATOM 621 O ARG A 41 1.409 -8.400 3.320 1.00 50.32 O ATOM 622 CB ARG A 41 1.008 -11.297 3.989 1.00 65.31 C ATOM 623 CG ARG A 41 1.303 -12.787 4.150 1.00 71.44 C ATOM 624 CD ARG A 41 0.629 -13.617 3.060 1.00 2.53 C ATOM 625 NE ARG A 41 0.973 -15.034 3.150 1.00 30.54 N ATOM 626 CZ ARG A 41 0.635 -15.932 2.263 1.00 75.13 C ATOM 627 NH1 ARG A 41 -0.054 -15.601 1.220 1.00 62.43 N ATOM 628 NH2 ARG A 41 0.998 -17.161 2.417 1.00 22.04 N ATOM 0 H ARG A 41 3.405 -11.148 3.389 1.00 72.51 H new ATOM 0 HA ARG A 41 1.021 -11.274 1.834 1.00 74.34 H new ATOM 0 HB2 ARG A 41 1.486 -10.750 4.802 1.00 65.31 H new ATOM 0 HB3 ARG A 41 -0.066 -11.135 4.084 1.00 65.31 H new ATOM 0 HG2 ARG A 41 2.380 -12.950 4.118 1.00 71.44 H new ATOM 0 HG3 ARG A 41 0.959 -13.123 5.128 1.00 71.44 H new ATOM 0 HD2 ARG A 41 -0.452 -13.502 3.135 1.00 2.53 H new ATOM 0 HD3 ARG A 41 0.923 -13.235 2.082 1.00 2.53 H new ATOM 0 HE ARG A 41 1.513 -15.343 3.959 1.00 30.54 H new ATOM 0 HH11 ARG A 41 -0.339 -14.631 1.084 1.00 62.43 H new ATOM 0 HH12 ARG A 41 -0.313 -16.310 0.534 1.00 62.43 H new ATOM 0 HH21 ARG A 41 1.549 -17.432 3.232 1.00 22.04 H new ATOM 0 HH22 ARG A 41 0.734 -17.861 1.724 1.00 22.04 H new ATOM 642 N HIS A 42 0.245 -8.972 1.478 1.00 65.13 N ATOM 643 CA HIS A 42 -0.223 -7.604 1.185 1.00 23.12 C ATOM 644 C HIS A 42 -0.970 -6.964 2.373 1.00 51.43 C ATOM 645 O HIS A 42 -0.938 -5.749 2.554 1.00 31.32 O ATOM 646 CB HIS A 42 -1.146 -7.615 -0.042 1.00 14.41 C ATOM 647 CG HIS A 42 -0.520 -8.194 -1.275 1.00 52.42 C ATOM 648 ND1 HIS A 42 -1.097 -9.208 -2.006 1.00 24.33 N ATOM 649 CD2 HIS A 42 0.630 -7.879 -1.921 1.00 50.42 C ATOM 650 CE1 HIS A 42 -0.335 -9.495 -3.040 1.00 21.02 C ATOM 651 NE2 HIS A 42 0.716 -8.704 -3.014 1.00 54.40 N ATOM 0 H HIS A 42 -0.097 -9.676 0.824 1.00 65.13 H new ATOM 0 HA HIS A 42 0.665 -7.003 0.989 1.00 23.12 H new ATOM 0 HB2 HIS A 42 -2.044 -8.184 0.198 1.00 14.41 H new ATOM 0 HB3 HIS A 42 -1.463 -6.594 -0.254 1.00 14.41 H new ATOM 0 HD2 HIS A 42 1.343 -7.122 -1.630 1.00 50.42 H new ATOM 0 HE1 HIS A 42 -0.538 -10.251 -3.784 1.00 21.02 H new ATOM 0 HE2 HIS A 42 1.474 -8.704 -3.697 1.00 54.40 H new ATOM 660 N GLN A 43 -1.636 -7.790 3.175 1.00 2.01 N ATOM 661 CA GLN A 43 -2.502 -7.298 4.257 1.00 43.11 C ATOM 662 C GLN A 43 -1.716 -6.600 5.385 1.00 74.13 C ATOM 663 O GLN A 43 -2.069 -5.497 5.808 1.00 53.04 O ATOM 664 CB GLN A 43 -3.319 -8.464 4.830 1.00 74.23 C ATOM 665 CG GLN A 43 -4.334 -8.054 5.892 1.00 54.30 C ATOM 666 CD GLN A 43 -5.233 -9.202 6.316 1.00 15.32 C ATOM 667 OE1 GLN A 43 -4.924 -9.941 7.244 1.00 5.23 O ATOM 668 NE2 GLN A 43 -6.353 -9.360 5.640 1.00 72.42 N ATOM 0 H GLN A 43 -1.596 -8.806 3.100 1.00 2.01 H new ATOM 0 HA GLN A 43 -3.164 -6.548 3.825 1.00 43.11 H new ATOM 0 HB2 GLN A 43 -3.844 -8.960 4.014 1.00 74.23 H new ATOM 0 HB3 GLN A 43 -2.635 -9.195 5.260 1.00 74.23 H new ATOM 0 HG2 GLN A 43 -3.806 -7.670 6.765 1.00 54.30 H new ATOM 0 HG3 GLN A 43 -4.948 -7.240 5.507 1.00 54.30 H new ATOM 0 HE21 GLN A 43 -6.579 -8.727 4.873 1.00 72.42 H new ATOM 0 HE22 GLN A 43 -6.994 -10.116 5.884 1.00 72.42 H new ATOM 677 N VAL A 44 -0.646 -7.236 5.858 1.00 54.00 N ATOM 678 CA VAL A 44 0.101 -6.739 7.028 1.00 12.34 C ATOM 679 C VAL A 44 0.762 -5.364 6.789 1.00 14.43 C ATOM 680 O VAL A 44 1.112 -4.662 7.741 1.00 4.34 O ATOM 681 CB VAL A 44 1.187 -7.754 7.469 1.00 51.15 C ATOM 682 CG1 VAL A 44 0.555 -9.104 7.808 1.00 14.22 C ATOM 683 CG2 VAL A 44 2.262 -7.909 6.393 1.00 21.13 C ATOM 0 H VAL A 44 -0.272 -8.095 5.455 1.00 54.00 H new ATOM 0 HA VAL A 44 -0.640 -6.618 7.819 1.00 12.34 H new ATOM 0 HB VAL A 44 1.668 -7.367 8.367 1.00 51.15 H new ATOM 0 HG11 VAL A 44 1.333 -9.803 8.115 1.00 14.22 H new ATOM 0 HG12 VAL A 44 -0.160 -8.977 8.621 1.00 14.22 H new ATOM 0 HG13 VAL A 44 0.041 -9.496 6.930 1.00 14.22 H new ATOM 0 HG21 VAL A 44 3.011 -8.626 6.728 1.00 21.13 H new ATOM 0 HG22 VAL A 44 1.804 -8.266 5.470 1.00 21.13 H new ATOM 0 HG23 VAL A 44 2.738 -6.945 6.213 1.00 21.13 H new ATOM 693 N ILE A 45 0.918 -4.981 5.522 1.00 64.31 N ATOM 694 CA ILE A 45 1.584 -3.718 5.156 1.00 21.13 C ATOM 695 C ILE A 45 0.924 -2.491 5.822 1.00 73.11 C ATOM 696 O ILE A 45 1.609 -1.570 6.275 1.00 74.34 O ATOM 697 CB ILE A 45 1.592 -3.522 3.615 1.00 24.01 C ATOM 698 CG1 ILE A 45 2.296 -4.707 2.928 1.00 54.13 C ATOM 699 CG2 ILE A 45 2.267 -2.201 3.233 1.00 34.51 C ATOM 700 CD1 ILE A 45 2.299 -4.625 1.414 1.00 43.15 C ATOM 0 H ILE A 45 0.593 -5.526 4.724 1.00 64.31 H new ATOM 0 HA ILE A 45 2.608 -3.793 5.522 1.00 21.13 H new ATOM 0 HB ILE A 45 0.558 -3.483 3.272 1.00 24.01 H new ATOM 0 HG12 ILE A 45 3.326 -4.760 3.281 1.00 54.13 H new ATOM 0 HG13 ILE A 45 1.807 -5.633 3.231 1.00 54.13 H new ATOM 0 HG21 ILE A 45 2.259 -2.089 2.149 1.00 34.51 H new ATOM 0 HG22 ILE A 45 1.726 -1.371 3.688 1.00 34.51 H new ATOM 0 HG23 ILE A 45 3.297 -2.202 3.590 1.00 34.51 H new ATOM 0 HD11 ILE A 45 2.812 -5.494 1.004 1.00 43.15 H new ATOM 0 HD12 ILE A 45 1.272 -4.604 1.049 1.00 43.15 H new ATOM 0 HD13 ILE A 45 2.814 -3.717 1.100 1.00 43.15 H new ATOM 712 N ARG A 46 -0.406 -2.494 5.898 1.00 30.24 N ATOM 713 CA ARG A 46 -1.157 -1.356 6.452 1.00 72.54 C ATOM 714 C ARG A 46 -0.805 -1.081 7.927 1.00 12.23 C ATOM 715 O ARG A 46 -0.818 0.068 8.377 1.00 33.51 O ATOM 716 CB ARG A 46 -2.665 -1.602 6.317 1.00 62.34 C ATOM 717 CG ARG A 46 -3.528 -0.420 6.764 1.00 51.21 C ATOM 718 CD ARG A 46 -5.017 -0.737 6.676 1.00 34.32 C ATOM 719 NE ARG A 46 -5.407 -1.812 7.584 1.00 52.11 N ATOM 720 CZ ARG A 46 -6.527 -2.473 7.498 1.00 21.54 C ATOM 721 NH1 ARG A 46 -7.372 -2.213 6.550 1.00 45.04 N ATOM 722 NH2 ARG A 46 -6.804 -3.394 8.362 1.00 43.35 N ATOM 0 H ARG A 46 -0.990 -3.269 5.584 1.00 30.24 H new ATOM 0 HA ARG A 46 -0.872 -0.475 5.877 1.00 72.54 H new ATOM 0 HB2 ARG A 46 -2.894 -1.834 5.277 1.00 62.34 H new ATOM 0 HB3 ARG A 46 -2.934 -2.479 6.905 1.00 62.34 H new ATOM 0 HG2 ARG A 46 -3.274 -0.152 7.790 1.00 51.21 H new ATOM 0 HG3 ARG A 46 -3.304 0.448 6.144 1.00 51.21 H new ATOM 0 HD2 ARG A 46 -5.592 0.159 6.909 1.00 34.32 H new ATOM 0 HD3 ARG A 46 -5.267 -1.019 5.653 1.00 34.32 H new ATOM 0 HE ARG A 46 -4.762 -2.062 8.333 1.00 52.11 H new ATOM 0 HH11 ARG A 46 -7.162 -1.487 5.865 1.00 45.04 H new ATOM 0 HH12 ARG A 46 -8.246 -2.735 6.489 1.00 45.04 H new ATOM 0 HH21 ARG A 46 -6.146 -3.604 9.112 1.00 43.35 H new ATOM 0 HH22 ARG A 46 -7.681 -3.910 8.293 1.00 43.35 H new ATOM 736 N ALA A 47 -0.492 -2.135 8.676 1.00 0.21 N ATOM 737 CA ALA A 47 -0.148 -2.002 10.097 1.00 63.50 C ATOM 738 C ALA A 47 1.103 -1.135 10.302 1.00 51.34 C ATOM 739 O ALA A 47 1.150 -0.287 11.198 1.00 62.42 O ATOM 740 CB ALA A 47 0.055 -3.380 10.719 1.00 64.34 C ATOM 0 H ALA A 47 -0.468 -3.093 8.326 1.00 0.21 H new ATOM 0 HA ALA A 47 -0.979 -1.502 10.594 1.00 63.50 H new ATOM 0 HB1 ALA A 47 0.310 -3.269 11.773 1.00 64.34 H new ATOM 0 HB2 ALA A 47 -0.863 -3.960 10.626 1.00 64.34 H new ATOM 0 HB3 ALA A 47 0.864 -3.897 10.203 1.00 64.34 H new ATOM 746 N TYR A 48 2.104 -1.333 9.448 1.00 4.05 N ATOM 747 CA TYR A 48 3.385 -0.623 9.568 1.00 31.53 C ATOM 748 C TYR A 48 3.216 0.902 9.433 1.00 53.35 C ATOM 749 O TYR A 48 3.695 1.664 10.275 1.00 11.41 O ATOM 750 CB TYR A 48 4.379 -1.139 8.517 1.00 1.33 C ATOM 751 CG TYR A 48 4.689 -2.622 8.644 1.00 34.32 C ATOM 752 CD1 TYR A 48 5.542 -3.093 9.634 1.00 54.34 C ATOM 753 CD2 TYR A 48 4.127 -3.549 7.773 1.00 52.33 C ATOM 754 CE1 TYR A 48 5.827 -4.442 9.752 1.00 34.44 C ATOM 755 CE2 TYR A 48 4.406 -4.899 7.885 1.00 64.22 C ATOM 756 CZ TYR A 48 5.257 -5.340 8.876 1.00 30.54 C ATOM 757 OH TYR A 48 5.537 -6.685 8.989 1.00 52.50 O ATOM 0 H TYR A 48 2.057 -1.980 8.661 1.00 4.05 H new ATOM 0 HA TYR A 48 3.776 -0.823 10.566 1.00 31.53 H new ATOM 0 HB2 TYR A 48 3.976 -0.945 7.523 1.00 1.33 H new ATOM 0 HB3 TYR A 48 5.308 -0.574 8.600 1.00 1.33 H new ATOM 0 HD1 TYR A 48 5.991 -2.394 10.324 1.00 54.34 H new ATOM 0 HD2 TYR A 48 3.460 -3.208 6.995 1.00 52.33 H new ATOM 0 HE1 TYR A 48 6.493 -4.790 10.528 1.00 34.44 H new ATOM 0 HE2 TYR A 48 3.959 -5.604 7.200 1.00 64.22 H new ATOM 0 HH TYR A 48 5.053 -7.179 8.295 1.00 52.50 H new ATOM 767 N VAL A 49 2.521 1.341 8.384 1.00 53.51 N ATOM 768 CA VAL A 49 2.353 2.778 8.123 1.00 63.54 C ATOM 769 C VAL A 49 1.623 3.498 9.274 1.00 0.31 C ATOM 770 O VAL A 49 1.989 4.615 9.645 1.00 72.11 O ATOM 771 CB VAL A 49 1.617 3.043 6.783 1.00 61.42 C ATOM 772 CG1 VAL A 49 2.403 2.451 5.612 1.00 74.53 C ATOM 773 CG2 VAL A 49 0.189 2.496 6.813 1.00 13.24 C ATOM 0 H VAL A 49 2.067 0.731 7.704 1.00 53.51 H new ATOM 0 HA VAL A 49 3.360 3.188 8.050 1.00 63.54 H new ATOM 0 HB VAL A 49 1.553 4.122 6.644 1.00 61.42 H new ATOM 0 HG11 VAL A 49 1.871 2.647 4.681 1.00 74.53 H new ATOM 0 HG12 VAL A 49 3.391 2.909 5.569 1.00 74.53 H new ATOM 0 HG13 VAL A 49 2.507 1.375 5.751 1.00 74.53 H new ATOM 0 HG21 VAL A 49 -0.298 2.698 5.859 1.00 13.24 H new ATOM 0 HG22 VAL A 49 0.215 1.420 6.986 1.00 13.24 H new ATOM 0 HG23 VAL A 49 -0.369 2.979 7.615 1.00 13.24 H new ATOM 783 N MET A 50 0.609 2.846 9.852 1.00 12.14 N ATOM 784 CA MET A 50 -0.140 3.426 10.976 1.00 74.04 C ATOM 785 C MET A 50 0.720 3.492 12.246 1.00 10.55 C ATOM 786 O MET A 50 0.581 4.410 13.054 1.00 74.42 O ATOM 787 CB MET A 50 -1.415 2.619 11.254 1.00 42.23 C ATOM 788 CG MET A 50 -2.448 2.702 10.138 1.00 41.13 C ATOM 789 SD MET A 50 -3.983 1.849 10.548 1.00 63.54 S ATOM 790 CE MET A 50 -3.419 0.150 10.650 1.00 74.14 C ATOM 0 H MET A 50 0.288 1.922 9.564 1.00 12.14 H new ATOM 0 HA MET A 50 -0.416 4.442 10.694 1.00 74.04 H new ATOM 0 HB2 MET A 50 -1.146 1.574 11.411 1.00 42.23 H new ATOM 0 HB3 MET A 50 -1.865 2.975 12.181 1.00 42.23 H new ATOM 0 HG2 MET A 50 -2.664 3.749 9.925 1.00 41.13 H new ATOM 0 HG3 MET A 50 -2.030 2.272 9.228 1.00 41.13 H new ATOM 0 HE1 MET A 50 -4.225 -0.520 10.350 1.00 74.14 H new ATOM 0 HE2 MET A 50 -2.565 0.010 9.988 1.00 74.14 H new ATOM 0 HE3 MET A 50 -3.124 -0.075 11.675 1.00 74.14 H new ATOM 800 N SER A 51 1.602 2.511 12.418 1.00 40.12 N ATOM 801 CA SER A 51 2.502 2.473 13.581 1.00 73.21 C ATOM 802 C SER A 51 3.598 3.554 13.495 1.00 61.20 C ATOM 803 O SER A 51 4.180 3.946 14.511 1.00 44.34 O ATOM 804 CB SER A 51 3.153 1.090 13.705 1.00 71.22 C ATOM 805 OG SER A 51 4.071 1.043 14.788 1.00 64.44 O ATOM 0 H SER A 51 1.717 1.730 11.772 1.00 40.12 H new ATOM 0 HA SER A 51 1.897 2.675 14.465 1.00 73.21 H new ATOM 0 HB2 SER A 51 2.381 0.334 13.848 1.00 71.22 H new ATOM 0 HB3 SER A 51 3.670 0.845 12.777 1.00 71.22 H new ATOM 0 HG SER A 51 4.468 0.149 14.842 1.00 64.44 H new ATOM 811 N ASN A 52 3.874 4.035 12.283 1.00 31.31 N ATOM 812 CA ASN A 52 4.937 5.027 12.063 1.00 31.34 C ATOM 813 C ASN A 52 4.389 6.467 11.962 1.00 52.41 C ATOM 814 O ASN A 52 4.742 7.335 12.764 1.00 71.51 O ATOM 815 CB ASN A 52 5.725 4.678 10.792 1.00 30.41 C ATOM 816 CG ASN A 52 6.406 3.321 10.879 1.00 31.20 C ATOM 817 OD1 ASN A 52 6.787 2.864 11.952 1.00 74.11 O ATOM 818 ND2 ASN A 52 6.573 2.667 9.745 1.00 70.12 N ATOM 0 H ASN A 52 3.379 3.757 11.436 1.00 31.31 H new ATOM 0 HA ASN A 52 5.596 4.991 12.931 1.00 31.34 H new ATOM 0 HB2 ASN A 52 5.050 4.687 9.937 1.00 30.41 H new ATOM 0 HB3 ASN A 52 6.477 5.447 10.613 1.00 30.41 H new ATOM 0 HD21 ASN A 52 7.030 1.755 9.745 1.00 70.12 H new ATOM 0 HD22 ASN A 52 6.245 3.073 8.869 1.00 70.12 H new ATOM 825 N TYR A 53 3.525 6.716 10.980 1.00 73.41 N ATOM 826 CA TYR A 53 3.047 8.080 10.692 1.00 3.13 C ATOM 827 C TYR A 53 1.641 8.337 11.247 1.00 33.54 C ATOM 828 O TYR A 53 0.777 7.463 11.219 1.00 63.20 O ATOM 829 CB TYR A 53 3.060 8.339 9.178 1.00 62.23 C ATOM 830 CG TYR A 53 4.441 8.249 8.561 1.00 2.02 C ATOM 831 CD1 TYR A 53 5.369 9.271 8.739 1.00 33.10 C ATOM 832 CD2 TYR A 53 4.819 7.148 7.801 1.00 12.25 C ATOM 833 CE1 TYR A 53 6.627 9.197 8.178 1.00 74.02 C ATOM 834 CE2 TYR A 53 6.078 7.067 7.236 1.00 73.14 C ATOM 835 CZ TYR A 53 6.979 8.094 7.428 1.00 61.41 C ATOM 836 OH TYR A 53 8.232 8.020 6.867 1.00 50.43 O ATOM 0 H TYR A 53 3.138 5.998 10.368 1.00 73.41 H new ATOM 0 HA TYR A 53 3.729 8.768 11.192 1.00 3.13 H new ATOM 0 HB2 TYR A 53 2.404 7.619 8.689 1.00 62.23 H new ATOM 0 HB3 TYR A 53 2.648 9.329 8.983 1.00 62.23 H new ATOM 0 HD1 TYR A 53 5.100 10.136 9.326 1.00 33.10 H new ATOM 0 HD2 TYR A 53 4.117 6.342 7.649 1.00 12.25 H new ATOM 0 HE1 TYR A 53 7.334 10.000 8.325 1.00 74.02 H new ATOM 0 HE2 TYR A 53 6.355 6.205 6.648 1.00 73.14 H new ATOM 0 HH TYR A 53 8.319 7.179 6.371 1.00 50.43 H new ATOM 846 N THR A 54 1.427 9.554 11.752 1.00 54.50 N ATOM 847 CA THR A 54 0.106 9.981 12.243 1.00 32.22 C ATOM 848 C THR A 54 -0.643 10.800 11.181 1.00 51.01 C ATOM 849 O THR A 54 -1.818 11.132 11.350 1.00 24.25 O ATOM 850 CB THR A 54 0.224 10.836 13.533 1.00 23.32 C ATOM 851 OG1 THR A 54 0.918 12.065 13.257 1.00 30.32 O ATOM 852 CG2 THR A 54 0.957 10.076 14.635 1.00 31.42 C ATOM 0 H THR A 54 2.152 10.267 11.834 1.00 54.50 H new ATOM 0 HA THR A 54 -0.451 9.071 12.465 1.00 32.22 H new ATOM 0 HB THR A 54 -0.787 11.057 13.876 1.00 23.32 H new ATOM 0 HG1 THR A 54 0.984 12.595 14.079 1.00 30.32 H new ATOM 0 HG21 THR A 54 1.024 10.701 15.526 1.00 31.42 H new ATOM 0 HG22 THR A 54 0.411 9.163 14.872 1.00 31.42 H new ATOM 0 HG23 THR A 54 1.961 9.820 14.295 1.00 31.42 H new ATOM 860 N ASP A 55 0.050 11.132 10.091 1.00 14.33 N ATOM 861 CA ASP A 55 -0.547 11.891 8.989 1.00 74.41 C ATOM 862 C ASP A 55 -1.684 11.107 8.318 1.00 24.01 C ATOM 863 O ASP A 55 -1.457 10.083 7.668 1.00 42.51 O ATOM 864 CB ASP A 55 0.522 12.260 7.962 1.00 4.30 C ATOM 865 CG ASP A 55 1.590 13.160 8.554 1.00 71.34 C ATOM 866 OD1 ASP A 55 2.560 12.638 9.141 1.00 20.24 O ATOM 867 OD2 ASP A 55 1.454 14.399 8.446 1.00 31.31 O ATOM 0 H ASP A 55 1.029 10.886 9.947 1.00 14.33 H new ATOM 0 HA ASP A 55 -0.973 12.805 9.404 1.00 74.41 H new ATOM 0 HB2 ASP A 55 0.985 11.351 7.578 1.00 4.30 H new ATOM 0 HB3 ASP A 55 0.054 12.761 7.115 1.00 4.30 H new ATOM 872 N HIS A 56 -2.905 11.617 8.468 1.00 50.42 N ATOM 873 CA HIS A 56 -4.113 10.924 8.009 1.00 4.21 C ATOM 874 C HIS A 56 -4.045 10.559 6.515 1.00 63.41 C ATOM 875 O HIS A 56 -4.400 9.446 6.127 1.00 52.40 O ATOM 876 CB HIS A 56 -5.351 11.787 8.287 1.00 54.31 C ATOM 877 CG HIS A 56 -5.448 12.248 9.714 1.00 14.43 C ATOM 878 ND1 HIS A 56 -5.732 11.403 10.763 1.00 13.23 N ATOM 879 CD2 HIS A 56 -5.284 13.478 10.265 1.00 63.52 C ATOM 880 CE1 HIS A 56 -5.741 12.084 11.889 1.00 41.21 C ATOM 881 NE2 HIS A 56 -5.472 13.343 11.618 1.00 72.21 N ATOM 0 H HIS A 56 -3.087 12.518 8.909 1.00 50.42 H new ATOM 0 HA HIS A 56 -4.185 9.990 8.566 1.00 4.21 H new ATOM 0 HB2 HIS A 56 -5.332 12.658 7.632 1.00 54.31 H new ATOM 0 HB3 HIS A 56 -6.246 11.218 8.035 1.00 54.31 H new ATOM 0 HD2 HIS A 56 -5.050 14.391 9.738 1.00 63.52 H new ATOM 0 HE1 HIS A 56 -5.936 11.678 12.870 1.00 41.21 H new ATOM 0 HE2 HIS A 56 -5.413 14.097 12.303 1.00 72.21 H new ATOM 890 N GLN A 57 -3.581 11.494 5.683 1.00 13.31 N ATOM 891 CA GLN A 57 -3.462 11.247 4.238 1.00 71.03 C ATOM 892 C GLN A 57 -2.435 10.144 3.926 1.00 35.34 C ATOM 893 O GLN A 57 -2.707 9.246 3.129 1.00 1.24 O ATOM 894 CB GLN A 57 -3.091 12.542 3.492 1.00 75.41 C ATOM 895 CG GLN A 57 -4.235 13.552 3.387 1.00 65.32 C ATOM 896 CD GLN A 57 -5.371 13.084 2.479 1.00 32.03 C ATOM 897 OE1 GLN A 57 -5.637 11.893 2.344 1.00 4.44 O ATOM 898 NE2 GLN A 57 -6.067 14.019 1.865 1.00 22.44 N ATOM 0 H GLN A 57 -3.283 12.424 5.979 1.00 13.31 H new ATOM 0 HA GLN A 57 -4.436 10.903 3.890 1.00 71.03 H new ATOM 0 HB2 GLN A 57 -2.250 13.013 4.001 1.00 75.41 H new ATOM 0 HB3 GLN A 57 -2.753 12.286 2.488 1.00 75.41 H new ATOM 0 HG2 GLN A 57 -4.632 13.746 4.383 1.00 65.32 H new ATOM 0 HG3 GLN A 57 -3.843 14.497 3.010 1.00 65.32 H new ATOM 0 HE21 GLN A 57 -5.826 15.002 1.994 1.00 22.44 H new ATOM 0 HE22 GLN A 57 -6.847 13.760 1.261 1.00 22.44 H new ATOM 907 N LEU A 58 -1.259 10.207 4.556 1.00 75.30 N ATOM 908 CA LEU A 58 -0.223 9.179 4.355 1.00 64.32 C ATOM 909 C LEU A 58 -0.746 7.784 4.739 1.00 45.32 C ATOM 910 O LEU A 58 -0.447 6.787 4.075 1.00 53.21 O ATOM 911 CB LEU A 58 1.043 9.508 5.166 1.00 2.24 C ATOM 912 CG LEU A 58 1.737 10.832 4.801 1.00 60.41 C ATOM 913 CD1 LEU A 58 3.020 11.009 5.612 1.00 62.15 C ATOM 914 CD2 LEU A 58 2.027 10.898 3.303 1.00 62.31 C ATOM 0 H LEU A 58 -0.998 10.950 5.204 1.00 75.30 H new ATOM 0 HA LEU A 58 0.033 9.173 3.295 1.00 64.32 H new ATOM 0 HB2 LEU A 58 0.779 9.535 6.223 1.00 2.24 H new ATOM 0 HB3 LEU A 58 1.758 8.695 5.037 1.00 2.24 H new ATOM 0 HG LEU A 58 1.062 11.651 5.050 1.00 60.41 H new ATOM 0 HD11 LEU A 58 3.496 11.951 5.339 1.00 62.15 H new ATOM 0 HD12 LEU A 58 2.780 11.018 6.675 1.00 62.15 H new ATOM 0 HD13 LEU A 58 3.701 10.184 5.401 1.00 62.15 H new ATOM 0 HD21 LEU A 58 2.518 11.843 3.069 1.00 62.31 H new ATOM 0 HD22 LEU A 58 2.679 10.071 3.022 1.00 62.31 H new ATOM 0 HD23 LEU A 58 1.092 10.828 2.748 1.00 62.31 H new ATOM 926 N ILE A 59 -1.531 7.724 5.812 1.00 53.24 N ATOM 927 CA ILE A 59 -2.166 6.476 6.242 1.00 52.33 C ATOM 928 C ILE A 59 -3.214 5.994 5.222 1.00 11.53 C ATOM 929 O ILE A 59 -3.185 4.841 4.789 1.00 34.21 O ATOM 930 CB ILE A 59 -2.835 6.644 7.631 1.00 73.21 C ATOM 931 CG1 ILE A 59 -1.770 6.970 8.695 1.00 74.22 C ATOM 932 CG2 ILE A 59 -3.623 5.390 8.015 1.00 45.53 C ATOM 933 CD1 ILE A 59 -2.331 7.195 10.085 1.00 10.25 C ATOM 0 H ILE A 59 -1.745 8.527 6.403 1.00 53.24 H new ATOM 0 HA ILE A 59 -1.379 5.725 6.312 1.00 52.33 H new ATOM 0 HB ILE A 59 -3.539 7.474 7.578 1.00 73.21 H new ATOM 0 HG12 ILE A 59 -1.049 6.153 8.734 1.00 74.22 H new ATOM 0 HG13 ILE A 59 -1.225 7.862 8.386 1.00 74.22 H new ATOM 0 HG21 ILE A 59 -4.082 5.534 8.993 1.00 45.53 H new ATOM 0 HG22 ILE A 59 -4.400 5.207 7.273 1.00 45.53 H new ATOM 0 HG23 ILE A 59 -2.949 4.534 8.053 1.00 45.53 H new ATOM 0 HD11 ILE A 59 -1.517 7.419 10.774 1.00 10.25 H new ATOM 0 HD12 ILE A 59 -3.029 8.032 10.064 1.00 10.25 H new ATOM 0 HD13 ILE A 59 -2.851 6.296 10.417 1.00 10.25 H new ATOM 945 N GLU A 60 -4.129 6.888 4.834 1.00 25.34 N ATOM 946 CA GLU A 60 -5.188 6.552 3.870 1.00 5.11 C ATOM 947 C GLU A 60 -4.614 6.132 2.507 1.00 61.13 C ATOM 948 O GLU A 60 -5.183 5.280 1.827 1.00 72.35 O ATOM 949 CB GLU A 60 -6.152 7.736 3.695 1.00 71.03 C ATOM 950 CG GLU A 60 -7.042 7.993 4.910 1.00 30.44 C ATOM 951 CD GLU A 60 -7.960 6.817 5.224 1.00 23.52 C ATOM 952 OE1 GLU A 60 -8.920 6.588 4.459 1.00 73.24 O ATOM 953 OE2 GLU A 60 -7.733 6.122 6.238 1.00 20.51 O ATOM 0 H GLU A 60 -4.160 7.850 5.171 1.00 25.34 H new ATOM 0 HA GLU A 60 -5.735 5.700 4.275 1.00 5.11 H new ATOM 0 HB2 GLU A 60 -5.573 8.635 3.484 1.00 71.03 H new ATOM 0 HB3 GLU A 60 -6.784 7.552 2.826 1.00 71.03 H new ATOM 0 HG2 GLU A 60 -6.415 8.201 5.777 1.00 30.44 H new ATOM 0 HG3 GLU A 60 -7.646 8.883 4.732 1.00 30.44 H new ATOM 960 N THR A 61 -3.487 6.731 2.121 1.00 25.42 N ATOM 961 CA THR A 61 -2.796 6.363 0.876 1.00 34.32 C ATOM 962 C THR A 61 -2.544 4.848 0.811 1.00 14.15 C ATOM 963 O THR A 61 -2.916 4.182 -0.158 1.00 73.13 O ATOM 964 CB THR A 61 -1.445 7.114 0.737 1.00 74.11 C ATOM 965 OG1 THR A 61 -1.672 8.525 0.596 1.00 10.21 O ATOM 966 CG2 THR A 61 -0.650 6.611 -0.462 1.00 1.30 C ATOM 0 H THR A 61 -3.030 7.474 2.650 1.00 25.42 H new ATOM 0 HA THR A 61 -3.447 6.653 0.052 1.00 34.32 H new ATOM 0 HB THR A 61 -0.868 6.922 1.642 1.00 74.11 H new ATOM 0 HG1 THR A 61 -2.053 8.880 1.426 1.00 10.21 H new ATOM 0 HG21 THR A 61 0.290 7.158 -0.530 1.00 1.30 H new ATOM 0 HG22 THR A 61 -0.443 5.548 -0.341 1.00 1.30 H new ATOM 0 HG23 THR A 61 -1.228 6.767 -1.373 1.00 1.30 H new ATOM 974 N THR A 62 -1.928 4.312 1.862 1.00 30.32 N ATOM 975 CA THR A 62 -1.649 2.873 1.950 1.00 43.35 C ATOM 976 C THR A 62 -2.933 2.074 2.215 1.00 35.33 C ATOM 977 O THR A 62 -3.218 1.089 1.536 1.00 32.43 O ATOM 978 CB THR A 62 -0.626 2.565 3.072 1.00 3.34 C ATOM 979 OG1 THR A 62 0.593 3.287 2.840 1.00 51.41 O ATOM 980 CG2 THR A 62 -0.323 1.070 3.153 1.00 64.14 C ATOM 0 H THR A 62 -1.610 4.850 2.668 1.00 30.32 H new ATOM 0 HA THR A 62 -1.229 2.574 0.990 1.00 43.35 H new ATOM 0 HB THR A 62 -1.066 2.880 4.018 1.00 3.34 H new ATOM 0 HG1 THR A 62 0.998 2.984 2.001 1.00 51.41 H new ATOM 0 HG21 THR A 62 0.398 0.888 3.950 1.00 64.14 H new ATOM 0 HG22 THR A 62 -1.242 0.523 3.363 1.00 64.14 H new ATOM 0 HG23 THR A 62 0.092 0.731 2.204 1.00 64.14 H new ATOM 988 N ASN A 63 -3.709 2.526 3.202 1.00 1.50 N ATOM 989 CA ASN A 63 -4.967 1.870 3.598 1.00 63.31 C ATOM 990 C ASN A 63 -5.876 1.588 2.385 1.00 75.52 C ATOM 991 O ASN A 63 -6.401 0.484 2.228 1.00 3.02 O ATOM 992 CB ASN A 63 -5.702 2.755 4.614 1.00 2.42 C ATOM 993 CG ASN A 63 -7.033 2.182 5.067 1.00 34.13 C ATOM 994 OD1 ASN A 63 -7.224 0.972 5.117 1.00 1.24 O ATOM 995 ND2 ASN A 63 -7.964 3.051 5.407 1.00 32.01 N ATOM 0 H ASN A 63 -3.488 3.356 3.752 1.00 1.50 H new ATOM 0 HA ASN A 63 -4.721 0.909 4.049 1.00 63.31 H new ATOM 0 HB2 ASN A 63 -5.063 2.901 5.485 1.00 2.42 H new ATOM 0 HB3 ASN A 63 -5.870 3.738 4.173 1.00 2.42 H new ATOM 0 HD21 ASN A 63 -8.877 2.723 5.723 1.00 32.01 H new ATOM 0 HD22 ASN A 63 -7.772 4.051 5.354 1.00 32.01 H new ATOM 1002 N ARG A 64 -6.051 2.597 1.535 1.00 51.04 N ATOM 1003 CA ARG A 64 -6.890 2.474 0.340 1.00 32.51 C ATOM 1004 C ARG A 64 -6.242 1.553 -0.711 1.00 34.32 C ATOM 1005 O ARG A 64 -6.921 0.760 -1.360 1.00 2.35 O ATOM 1006 CB ARG A 64 -7.136 3.864 -0.266 1.00 55.41 C ATOM 1007 CG ARG A 64 -8.108 3.875 -1.443 1.00 41.42 C ATOM 1008 CD ARG A 64 -8.194 5.256 -2.086 1.00 63.12 C ATOM 1009 NE ARG A 64 -9.157 5.285 -3.184 1.00 64.14 N ATOM 1010 CZ ARG A 64 -8.834 5.337 -4.447 1.00 23.52 C ATOM 1011 NH1 ARG A 64 -7.595 5.336 -4.820 1.00 63.21 N ATOM 1012 NH2 ARG A 64 -9.757 5.368 -5.346 1.00 54.31 N ATOM 0 H ARG A 64 -5.621 3.515 1.651 1.00 51.04 H new ATOM 0 HA ARG A 64 -7.839 2.029 0.638 1.00 32.51 H new ATOM 0 HB2 ARG A 64 -7.519 4.524 0.512 1.00 55.41 H new ATOM 0 HB3 ARG A 64 -6.183 4.278 -0.594 1.00 55.41 H new ATOM 0 HG2 ARG A 64 -7.788 3.146 -2.187 1.00 41.42 H new ATOM 0 HG3 ARG A 64 -9.097 3.569 -1.102 1.00 41.42 H new ATOM 0 HD2 ARG A 64 -8.480 5.990 -1.333 1.00 63.12 H new ATOM 0 HD3 ARG A 64 -7.211 5.546 -2.457 1.00 63.12 H new ATOM 0 HE ARG A 64 -10.149 5.263 -2.947 1.00 64.14 H new ATOM 0 HH11 ARG A 64 -6.852 5.294 -4.122 1.00 63.21 H new ATOM 0 HH12 ARG A 64 -7.361 5.377 -5.812 1.00 63.21 H new ATOM 0 HH21 ARG A 64 -10.739 5.352 -5.070 1.00 54.31 H new ATOM 0 HH22 ARG A 64 -9.506 5.409 -6.334 1.00 54.31 H new ATOM 1026 N ALA A 65 -4.921 1.664 -0.866 1.00 33.42 N ATOM 1027 CA ALA A 65 -4.182 0.882 -1.867 1.00 14.01 C ATOM 1028 C ALA A 65 -4.271 -0.632 -1.607 1.00 22.42 C ATOM 1029 O ALA A 65 -4.463 -1.421 -2.539 1.00 65.51 O ATOM 1030 CB ALA A 65 -2.724 1.327 -1.908 1.00 51.45 C ATOM 0 H ALA A 65 -4.337 2.289 -0.311 1.00 33.42 H new ATOM 0 HA ALA A 65 -4.647 1.070 -2.835 1.00 14.01 H new ATOM 0 HB1 ALA A 65 -2.186 0.741 -2.653 1.00 51.45 H new ATOM 0 HB2 ALA A 65 -2.673 2.384 -2.171 1.00 51.45 H new ATOM 0 HB3 ALA A 65 -2.269 1.175 -0.929 1.00 51.45 H new ATOM 1036 N ILE A 66 -4.137 -1.032 -0.339 1.00 43.32 N ATOM 1037 CA ILE A 66 -4.198 -2.455 0.045 1.00 44.32 C ATOM 1038 C ILE A 66 -5.484 -3.131 -0.466 1.00 5.25 C ATOM 1039 O ILE A 66 -5.477 -4.309 -0.835 1.00 65.15 O ATOM 1040 CB ILE A 66 -4.094 -2.632 1.585 1.00 11.04 C ATOM 1041 CG1 ILE A 66 -2.790 -2.007 2.115 1.00 4.30 C ATOM 1042 CG2 ILE A 66 -4.180 -4.113 1.977 1.00 43.00 C ATOM 1043 CD1 ILE A 66 -1.526 -2.583 1.498 1.00 4.44 C ATOM 0 H ILE A 66 -3.985 -0.394 0.443 1.00 43.32 H new ATOM 0 HA ILE A 66 -3.342 -2.940 -0.425 1.00 44.32 H new ATOM 0 HB ILE A 66 -4.937 -2.113 2.041 1.00 11.04 H new ATOM 0 HG12 ILE A 66 -2.814 -0.933 1.930 1.00 4.30 H new ATOM 0 HG13 ILE A 66 -2.748 -2.144 3.196 1.00 4.30 H new ATOM 0 HG21 ILE A 66 -4.104 -4.208 3.060 1.00 43.00 H new ATOM 0 HG22 ILE A 66 -5.133 -4.523 1.642 1.00 43.00 H new ATOM 0 HG23 ILE A 66 -3.364 -4.662 1.507 1.00 43.00 H new ATOM 0 HD11 ILE A 66 -0.654 -2.088 1.926 1.00 4.44 H new ATOM 0 HD12 ILE A 66 -1.475 -3.652 1.705 1.00 4.44 H new ATOM 0 HD13 ILE A 66 -1.542 -2.422 0.420 1.00 4.44 H new ATOM 1055 N SER A 67 -6.578 -2.370 -0.501 1.00 1.45 N ATOM 1056 CA SER A 67 -7.865 -2.863 -1.024 1.00 3.24 C ATOM 1057 C SER A 67 -7.713 -3.461 -2.432 1.00 60.35 C ATOM 1058 O SER A 67 -8.260 -4.526 -2.737 1.00 54.11 O ATOM 1059 CB SER A 67 -8.890 -1.721 -1.057 1.00 13.05 C ATOM 1060 OG SER A 67 -10.116 -2.128 -1.654 1.00 21.24 O ATOM 0 H SER A 67 -6.604 -1.404 -0.173 1.00 1.45 H new ATOM 0 HA SER A 67 -8.213 -3.652 -0.357 1.00 3.24 H new ATOM 0 HB2 SER A 67 -9.078 -1.372 -0.042 1.00 13.05 H new ATOM 0 HB3 SER A 67 -8.478 -0.878 -1.612 1.00 13.05 H new ATOM 0 HG SER A 67 -10.744 -1.376 -1.656 1.00 21.24 H new ATOM 1066 N LEU A 68 -6.950 -2.775 -3.282 1.00 72.45 N ATOM 1067 CA LEU A 68 -6.723 -3.222 -4.660 1.00 32.32 C ATOM 1068 C LEU A 68 -5.900 -4.519 -4.704 1.00 14.20 C ATOM 1069 O LEU A 68 -6.157 -5.395 -5.527 1.00 15.14 O ATOM 1070 CB LEU A 68 -6.021 -2.119 -5.468 1.00 31.44 C ATOM 1071 CG LEU A 68 -6.806 -0.803 -5.595 1.00 75.30 C ATOM 1072 CD1 LEU A 68 -6.014 0.230 -6.394 1.00 72.25 C ATOM 1073 CD2 LEU A 68 -8.171 -1.049 -6.236 1.00 40.32 C ATOM 0 H LEU A 68 -6.476 -1.904 -3.042 1.00 72.45 H new ATOM 0 HA LEU A 68 -7.695 -3.429 -5.107 1.00 32.32 H new ATOM 0 HB2 LEU A 68 -5.058 -1.906 -5.003 1.00 31.44 H new ATOM 0 HB3 LEU A 68 -5.815 -2.499 -6.469 1.00 31.44 H new ATOM 0 HG LEU A 68 -6.964 -0.406 -4.592 1.00 75.30 H new ATOM 0 HD11 LEU A 68 -6.591 1.152 -6.470 1.00 72.25 H new ATOM 0 HD12 LEU A 68 -5.069 0.433 -5.890 1.00 72.25 H new ATOM 0 HD13 LEU A 68 -5.816 -0.157 -7.394 1.00 72.25 H new ATOM 0 HD21 LEU A 68 -8.710 -0.105 -6.317 1.00 40.32 H new ATOM 0 HD22 LEU A 68 -8.035 -1.475 -7.230 1.00 40.32 H new ATOM 0 HD23 LEU A 68 -8.743 -1.742 -5.619 1.00 40.32 H new ATOM 1085 N TYR A 69 -4.924 -4.644 -3.805 1.00 21.40 N ATOM 1086 CA TYR A 69 -4.077 -5.847 -3.731 1.00 54.34 C ATOM 1087 C TYR A 69 -4.896 -7.114 -3.435 1.00 32.41 C ATOM 1088 O TYR A 69 -4.467 -8.227 -3.742 1.00 34.43 O ATOM 1089 CB TYR A 69 -2.987 -5.664 -2.671 1.00 72.23 C ATOM 1090 CG TYR A 69 -1.897 -4.697 -3.086 1.00 4.54 C ATOM 1091 CD1 TYR A 69 -2.023 -3.331 -2.862 1.00 21.34 C ATOM 1092 CD2 TYR A 69 -0.742 -5.153 -3.713 1.00 41.14 C ATOM 1093 CE1 TYR A 69 -1.032 -2.450 -3.248 1.00 44.21 C ATOM 1094 CE2 TYR A 69 0.252 -4.279 -4.102 1.00 53.21 C ATOM 1095 CZ TYR A 69 0.102 -2.931 -3.868 1.00 44.24 C ATOM 1096 OH TYR A 69 1.088 -2.063 -4.262 1.00 22.21 O ATOM 0 H TYR A 69 -4.696 -3.929 -3.114 1.00 21.40 H new ATOM 0 HA TYR A 69 -3.613 -5.978 -4.709 1.00 54.34 H new ATOM 0 HB2 TYR A 69 -3.445 -5.309 -1.748 1.00 72.23 H new ATOM 0 HB3 TYR A 69 -2.538 -6.633 -2.452 1.00 72.23 H new ATOM 0 HD1 TYR A 69 -2.911 -2.952 -2.378 1.00 21.34 H new ATOM 0 HD2 TYR A 69 -0.621 -6.210 -3.899 1.00 41.14 H new ATOM 0 HE1 TYR A 69 -1.144 -1.391 -3.066 1.00 44.21 H new ATOM 0 HE2 TYR A 69 1.143 -4.650 -4.587 1.00 53.21 H new ATOM 0 HH TYR A 69 0.891 -1.166 -3.919 1.00 22.21 H new ATOM 1106 N MET A 70 -6.061 -6.940 -2.824 1.00 13.15 N ATOM 1107 CA MET A 70 -6.981 -8.056 -2.585 1.00 2.50 C ATOM 1108 C MET A 70 -7.917 -8.261 -3.788 1.00 55.34 C ATOM 1109 O MET A 70 -7.888 -9.303 -4.447 1.00 1.13 O ATOM 1110 CB MET A 70 -7.804 -7.800 -1.317 1.00 5.53 C ATOM 1111 CG MET A 70 -6.973 -7.760 -0.042 1.00 21.23 C ATOM 1112 SD MET A 70 -6.111 -9.316 0.265 1.00 24.11 S ATOM 1113 CE MET A 70 -5.329 -8.966 1.837 1.00 23.31 C ATOM 0 H MET A 70 -6.395 -6.039 -2.483 1.00 13.15 H new ATOM 0 HA MET A 70 -6.391 -8.962 -2.450 1.00 2.50 H new ATOM 0 HB2 MET A 70 -8.334 -6.853 -1.424 1.00 5.53 H new ATOM 0 HB3 MET A 70 -8.560 -8.579 -1.222 1.00 5.53 H new ATOM 0 HG2 MET A 70 -6.245 -6.952 -0.111 1.00 21.23 H new ATOM 0 HG3 MET A 70 -7.621 -7.534 0.804 1.00 21.23 H new ATOM 0 HE1 MET A 70 -5.226 -9.890 2.406 1.00 23.31 H new ATOM 0 HE2 MET A 70 -4.343 -8.534 1.665 1.00 23.31 H new ATOM 0 HE3 MET A 70 -5.941 -8.261 2.399 1.00 23.31 H new ATOM 1123 N ALA A 71 -8.721 -7.238 -4.082 1.00 2.32 N ATOM 1124 CA ALA A 71 -9.744 -7.313 -5.133 1.00 1.32 C ATOM 1125 C ALA A 71 -9.152 -7.619 -6.522 1.00 4.22 C ATOM 1126 O ALA A 71 -9.631 -8.504 -7.231 1.00 23.42 O ATOM 1127 CB ALA A 71 -10.546 -6.016 -5.165 1.00 1.31 C ATOM 0 H ALA A 71 -8.684 -6.338 -3.603 1.00 2.32 H new ATOM 0 HA ALA A 71 -10.402 -8.146 -4.888 1.00 1.32 H new ATOM 0 HB1 ALA A 71 -11.304 -6.076 -5.946 1.00 1.31 H new ATOM 0 HB2 ALA A 71 -11.030 -5.864 -4.200 1.00 1.31 H new ATOM 0 HB3 ALA A 71 -9.878 -5.180 -5.371 1.00 1.31 H new ATOM 1133 N ASN A 72 -8.110 -6.890 -6.912 1.00 64.23 N ATOM 1134 CA ASN A 72 -7.501 -7.067 -8.238 1.00 32.41 C ATOM 1135 C ASN A 72 -6.873 -8.470 -8.378 1.00 40.42 C ATOM 1136 O ASN A 72 -6.955 -9.103 -9.439 1.00 73.01 O ATOM 1137 CB ASN A 72 -6.455 -5.964 -8.479 1.00 5.52 C ATOM 1138 CG ASN A 72 -5.906 -5.951 -9.898 1.00 64.13 C ATOM 1139 OD1 ASN A 72 -5.785 -6.983 -10.542 1.00 70.42 O ATOM 1140 ND2 ASN A 72 -5.573 -4.778 -10.402 1.00 20.42 N ATOM 0 H ASN A 72 -7.668 -6.173 -6.336 1.00 64.23 H new ATOM 0 HA ASN A 72 -8.279 -6.984 -8.996 1.00 32.41 H new ATOM 0 HB2 ASN A 72 -6.904 -4.995 -8.262 1.00 5.52 H new ATOM 0 HB3 ASN A 72 -5.630 -6.097 -7.779 1.00 5.52 H new ATOM 0 HD21 ASN A 72 -5.204 -4.717 -11.351 1.00 20.42 H new ATOM 0 HD22 ASN A 72 -5.684 -3.932 -9.843 1.00 20.42 H new ATOM 1147 N LEU A 73 -6.271 -8.962 -7.296 1.00 1.12 N ATOM 1148 CA LEU A 73 -5.637 -10.287 -7.289 1.00 12.31 C ATOM 1149 C LEU A 73 -6.687 -11.390 -7.526 1.00 54.22 C ATOM 1150 O LEU A 73 -6.584 -12.164 -8.481 1.00 64.04 O ATOM 1151 CB LEU A 73 -4.898 -10.510 -5.950 1.00 24.13 C ATOM 1152 CG LEU A 73 -3.815 -11.615 -5.927 1.00 14.22 C ATOM 1153 CD1 LEU A 73 -4.419 -13.012 -6.050 1.00 40.22 C ATOM 1154 CD2 LEU A 73 -2.779 -11.378 -7.026 1.00 53.44 C ATOM 0 H LEU A 73 -6.207 -8.464 -6.408 1.00 1.12 H new ATOM 0 HA LEU A 73 -4.910 -10.335 -8.100 1.00 12.31 H new ATOM 0 HB2 LEU A 73 -4.430 -9.569 -5.659 1.00 24.13 H new ATOM 0 HB3 LEU A 73 -5.640 -10.746 -5.187 1.00 24.13 H new ATOM 0 HG LEU A 73 -3.318 -11.561 -4.958 1.00 14.22 H new ATOM 0 HD11 LEU A 73 -3.623 -13.756 -6.029 1.00 40.22 H new ATOM 0 HD12 LEU A 73 -5.101 -13.188 -5.218 1.00 40.22 H new ATOM 0 HD13 LEU A 73 -4.965 -13.091 -6.990 1.00 40.22 H new ATOM 0 HD21 LEU A 73 -2.026 -12.166 -6.993 1.00 53.44 H new ATOM 0 HD22 LEU A 73 -3.271 -11.387 -7.998 1.00 53.44 H new ATOM 0 HD23 LEU A 73 -2.299 -10.411 -6.872 1.00 53.44 H new ATOM 1166 N GLU A 74 -7.703 -11.443 -6.664 1.00 1.34 N ATOM 1167 CA GLU A 74 -8.760 -12.461 -6.767 1.00 34.20 C ATOM 1168 C GLU A 74 -9.469 -12.422 -8.138 1.00 61.44 C ATOM 1169 O GLU A 74 -9.819 -13.465 -8.694 1.00 62.40 O ATOM 1170 CB GLU A 74 -9.786 -12.283 -5.637 1.00 63.33 C ATOM 1171 CG GLU A 74 -10.468 -10.920 -5.635 1.00 73.35 C ATOM 1172 CD GLU A 74 -11.502 -10.773 -4.533 1.00 4.10 C ATOM 1173 OE1 GLU A 74 -11.119 -10.501 -3.375 1.00 1.32 O ATOM 1174 OE2 GLU A 74 -12.705 -10.919 -4.820 1.00 52.34 O ATOM 0 H GLU A 74 -7.820 -10.795 -5.885 1.00 1.34 H new ATOM 0 HA GLU A 74 -8.282 -13.436 -6.670 1.00 34.20 H new ATOM 0 HB2 GLU A 74 -10.546 -13.059 -5.724 1.00 63.33 H new ATOM 0 HB3 GLU A 74 -9.287 -12.431 -4.679 1.00 63.33 H new ATOM 0 HG2 GLU A 74 -9.712 -10.143 -5.522 1.00 73.35 H new ATOM 0 HG3 GLU A 74 -10.949 -10.760 -6.600 1.00 73.35 H new ATOM 1181 N HIS A 75 -9.669 -11.220 -8.685 1.00 71.11 N ATOM 1182 CA HIS A 75 -10.318 -11.068 -9.997 1.00 34.44 C ATOM 1183 C HIS A 75 -9.426 -11.578 -11.141 1.00 40.54 C ATOM 1184 O HIS A 75 -9.926 -12.042 -12.165 1.00 51.12 O ATOM 1185 CB HIS A 75 -10.730 -9.611 -10.238 1.00 12.23 C ATOM 1186 CG HIS A 75 -11.883 -9.179 -9.384 1.00 32.04 C ATOM 1187 ND1 HIS A 75 -11.837 -8.094 -8.537 1.00 13.40 N ATOM 1188 CD2 HIS A 75 -13.125 -9.702 -9.246 1.00 5.24 C ATOM 1189 CE1 HIS A 75 -12.988 -7.969 -7.918 1.00 54.41 C ATOM 1190 NE2 HIS A 75 -13.787 -8.928 -8.327 1.00 71.34 N ATOM 0 H HIS A 75 -9.394 -10.341 -8.246 1.00 71.11 H new ATOM 0 HA HIS A 75 -11.217 -11.684 -9.985 1.00 34.44 H new ATOM 0 HB2 HIS A 75 -9.877 -8.961 -10.043 1.00 12.23 H new ATOM 0 HB3 HIS A 75 -10.995 -9.483 -11.288 1.00 12.23 H new ATOM 0 HD1 HIS A 75 -11.032 -7.481 -8.410 1.00 13.40 H new ATOM 0 HD2 HIS A 75 -13.519 -10.565 -9.762 1.00 5.24 H new ATOM 0 HE1 HIS A 75 -13.236 -7.206 -7.195 1.00 54.41 H new ATOM 1199 N HIS A 76 -8.106 -11.500 -10.969 1.00 2.22 N ATOM 1200 CA HIS A 76 -7.175 -12.119 -11.925 1.00 21.52 C ATOM 1201 C HIS A 76 -7.388 -13.640 -11.984 1.00 24.22 C ATOM 1202 O HIS A 76 -7.264 -14.263 -13.043 1.00 34.13 O ATOM 1203 CB HIS A 76 -5.716 -11.805 -11.552 1.00 23.44 C ATOM 1204 CG HIS A 76 -5.144 -10.628 -12.286 1.00 31.41 C ATOM 1205 ND1 HIS A 76 -5.304 -9.321 -11.878 1.00 72.40 N ATOM 1206 CD2 HIS A 76 -4.391 -10.574 -13.415 1.00 21.44 C ATOM 1207 CE1 HIS A 76 -4.677 -8.520 -12.717 1.00 41.44 C ATOM 1208 NE2 HIS A 76 -4.118 -9.252 -13.655 1.00 75.21 N ATOM 0 H HIS A 76 -7.657 -11.021 -10.188 1.00 2.22 H new ATOM 0 HA HIS A 76 -7.379 -11.698 -12.910 1.00 21.52 H new ATOM 0 HB2 HIS A 76 -5.657 -11.617 -10.480 1.00 23.44 H new ATOM 0 HB3 HIS A 76 -5.102 -12.682 -11.756 1.00 23.44 H new ATOM 0 HD1 HIS A 76 -5.826 -9.020 -11.055 1.00 72.40 H new ATOM 0 HD2 HIS A 76 -4.068 -11.414 -14.012 1.00 21.44 H new ATOM 0 HE1 HIS A 76 -4.631 -7.443 -12.646 1.00 41.44 H new ATOM 1217 N HIS A 77 -7.722 -14.228 -10.840 1.00 31.02 N ATOM 1218 CA HIS A 77 -7.978 -15.666 -10.762 1.00 41.11 C ATOM 1219 C HIS A 77 -9.417 -15.999 -11.204 1.00 61.24 C ATOM 1220 O HIS A 77 -9.665 -17.038 -11.819 1.00 24.53 O ATOM 1221 CB HIS A 77 -7.726 -16.171 -9.335 1.00 71.55 C ATOM 1222 CG HIS A 77 -7.680 -17.665 -9.229 1.00 61.52 C ATOM 1223 ND1 HIS A 77 -6.585 -18.409 -9.611 1.00 53.23 N ATOM 1224 CD2 HIS A 77 -8.599 -18.559 -8.789 1.00 51.15 C ATOM 1225 CE1 HIS A 77 -6.830 -19.686 -9.415 1.00 23.51 C ATOM 1226 NE2 HIS A 77 -8.042 -19.807 -8.917 1.00 35.44 N ATOM 0 H HIS A 77 -7.822 -13.733 -9.954 1.00 31.02 H new ATOM 0 HA HIS A 77 -7.293 -16.171 -11.442 1.00 41.11 H new ATOM 0 HB2 HIS A 77 -6.783 -15.760 -8.974 1.00 71.55 H new ATOM 0 HB3 HIS A 77 -8.511 -15.792 -8.680 1.00 71.55 H new ATOM 0 HD2 HIS A 77 -9.584 -18.332 -8.409 1.00 51.15 H new ATOM 0 HE1 HIS A 77 -6.151 -20.499 -9.627 1.00 23.51 H new ATOM 0 HE2 HIS A 77 -8.494 -20.686 -8.667 1.00 35.44 H new ATOM 1235 N HIS A 78 -10.363 -15.115 -10.887 1.00 0.12 N ATOM 1236 CA HIS A 78 -11.769 -15.304 -11.265 1.00 22.32 C ATOM 1237 C HIS A 78 -12.302 -14.116 -12.091 1.00 74.55 C ATOM 1238 O HIS A 78 -12.644 -13.070 -11.543 1.00 3.24 O ATOM 1239 CB HIS A 78 -12.635 -15.503 -10.008 1.00 5.33 C ATOM 1240 CG HIS A 78 -14.103 -15.680 -10.295 1.00 62.21 C ATOM 1241 ND1 HIS A 78 -14.708 -16.914 -10.404 1.00 54.55 N ATOM 1242 CD2 HIS A 78 -15.093 -14.770 -10.488 1.00 21.54 C ATOM 1243 CE1 HIS A 78 -15.990 -16.756 -10.650 1.00 55.11 C ATOM 1244 NE2 HIS A 78 -16.253 -15.469 -10.705 1.00 15.32 N ATOM 0 H HIS A 78 -10.183 -14.256 -10.367 1.00 0.12 H new ATOM 0 HA HIS A 78 -11.826 -16.196 -11.889 1.00 22.32 H new ATOM 0 HB2 HIS A 78 -12.274 -16.377 -9.465 1.00 5.33 H new ATOM 0 HB3 HIS A 78 -12.505 -14.643 -9.350 1.00 5.33 H new ATOM 0 HD2 HIS A 78 -14.986 -13.695 -10.473 1.00 21.54 H new ATOM 0 HE1 HIS A 78 -16.708 -17.552 -10.785 1.00 55.11 H new ATOM 0 HE2 HIS A 78 -17.170 -15.058 -10.880 1.00 15.32 H new