USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 36 HIS : no HD1:sc= -1.48 K(o=-1.6,f=-2.5!) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.129 K(o=-1.6,f=-2.7!) USER MOD Single : A 8 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.55) USER MOD Single : A 9 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.1) USER MOD Single : A 12 SER OG : rot -14:sc= 0.24 USER MOD Single : A 13 TYR OH : rot 29:sc= 1.28 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.16) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.062) USER MOD Single : A 19 THR OG1 : rot 80:sc= 0.0492 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 15:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0285 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 29:sc= 0.0678 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.0057) USER MOD Single : A 69 GLN : amide:sc= 0.314 K(o=0.31,f=-0.35) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : B 204 MET CE :methyl 179:sc= -0.793 (180deg=-0.832) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.932 44.368 39.658 1.00 0.00 N ATOM 53 CA VAL A 5 35.420 43.330 40.513 1.00 0.00 C ATOM 54 C VAL A 5 35.327 41.991 39.865 1.00 0.00 C ATOM 55 O VAL A 5 36.320 41.298 39.654 1.00 0.00 O ATOM 56 CB VAL A 5 34.657 43.325 41.804 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.079 42.144 42.693 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.927 44.666 42.507 1.00 0.00 C ATOM 0 HA VAL A 5 36.472 43.533 40.711 1.00 0.00 H new ATOM 0 HB VAL A 5 33.591 43.206 41.610 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.509 42.166 43.622 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.885 41.207 42.170 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.143 42.220 42.918 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.386 44.697 43.453 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.995 44.769 42.697 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.592 45.485 41.870 1.00 0.00 H new ATOM 68 N GLU A 6 34.098 41.591 39.492 1.00 0.00 N ATOM 69 CA GLU A 6 33.850 40.327 38.871 1.00 0.00 C ATOM 70 C GLU A 6 34.423 40.233 37.498 1.00 0.00 C ATOM 71 O GLU A 6 34.838 39.165 37.051 1.00 0.00 O ATOM 72 CB GLU A 6 32.339 40.042 38.856 1.00 0.00 C ATOM 73 CG GLU A 6 31.539 40.971 37.940 1.00 0.00 C ATOM 74 CD GLU A 6 30.052 40.981 38.258 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.377 39.919 38.184 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.527 42.072 38.607 1.00 0.00 O ATOM 0 H GLU A 6 33.260 42.157 39.624 1.00 0.00 H new ATOM 0 HA GLU A 6 34.358 39.567 39.465 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.177 39.011 38.541 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.953 40.130 39.872 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.931 41.984 38.028 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.682 40.662 36.904 1.00 0.00 H new ATOM 83 N PHE A 7 34.585 41.393 36.836 1.00 0.00 N ATOM 84 CA PHE A 7 35.275 41.476 35.586 1.00 0.00 C ATOM 85 C PHE A 7 36.709 41.103 35.741 1.00 0.00 C ATOM 86 O PHE A 7 37.249 40.334 34.946 1.00 0.00 O ATOM 87 CB PHE A 7 35.140 42.899 35.017 1.00 0.00 C ATOM 88 CG PHE A 7 34.953 42.911 33.539 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.907 42.404 32.688 1.00 0.00 C ATOM 90 CD2 PHE A 7 33.816 43.474 33.009 1.00 0.00 C ATOM 91 CE1 PHE A 7 35.740 42.465 31.325 1.00 0.00 C ATOM 92 CE2 PHE A 7 33.636 43.537 31.647 1.00 0.00 C ATOM 93 CZ PHE A 7 34.603 43.038 30.806 1.00 0.00 C ATOM 0 H PHE A 7 34.231 42.288 37.174 1.00 0.00 H new ATOM 0 HA PHE A 7 34.825 40.769 34.889 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.294 43.397 35.490 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.031 43.474 35.271 1.00 0.00 H new ATOM 0 HD1 PHE A 7 36.799 41.952 33.096 1.00 0.00 H new ATOM 0 HD2 PHE A 7 33.058 43.870 33.668 1.00 0.00 H new ATOM 0 HE1 PHE A 7 36.497 42.066 30.666 1.00 0.00 H new ATOM 0 HE2 PHE A 7 32.738 43.977 31.239 1.00 0.00 H new ATOM 0 HZ PHE A 7 34.469 43.096 29.736 1.00 0.00 H new ATOM 103 N ASN A 8 37.361 41.556 36.826 1.00 0.00 N ATOM 104 CA ASN A 8 38.763 41.448 37.092 1.00 0.00 C ATOM 105 C ASN A 8 39.086 40.100 37.638 1.00 0.00 C ATOM 106 O ASN A 8 40.202 39.604 37.503 1.00 0.00 O ATOM 107 CB ASN A 8 39.166 42.582 38.049 1.00 0.00 C ATOM 108 CG ASN A 8 40.587 43.102 37.872 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.417 42.626 37.100 1.00 0.00 O ATOM 110 ND2 ASN A 8 40.873 44.202 38.618 1.00 0.00 N ATOM 0 H ASN A 8 36.867 42.037 37.578 1.00 0.00 H new ATOM 0 HA ASN A 8 39.337 41.553 36.171 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.473 43.412 37.916 1.00 0.00 H new ATOM 0 HB3 ASN A 8 39.049 42.230 39.074 1.00 0.00 H new ATOM 0 HD21 ASN A 8 41.788 44.646 38.542 1.00 0.00 H new ATOM 0 HD22 ASN A 8 40.172 44.584 39.253 1.00 0.00 H new ATOM 117 N ASN A 9 38.091 39.410 38.225 1.00 0.00 N ATOM 118 CA ASN A 9 38.152 38.019 38.547 1.00 0.00 C ATOM 119 C ASN A 9 38.029 37.159 37.335 1.00 0.00 C ATOM 120 O ASN A 9 38.629 36.088 37.265 1.00 0.00 O ATOM 121 CB ASN A 9 37.097 37.606 39.588 1.00 0.00 C ATOM 122 CG ASN A 9 37.415 38.204 40.950 1.00 0.00 C ATOM 123 OD1 ASN A 9 38.548 38.522 41.308 1.00 0.00 O ATOM 124 ND2 ASN A 9 36.356 38.372 41.788 1.00 0.00 N ATOM 0 H ASN A 9 37.205 39.842 38.486 1.00 0.00 H new ATOM 0 HA ASN A 9 39.137 37.863 38.986 1.00 0.00 H new ATOM 0 HB2 ASN A 9 36.111 37.936 39.263 1.00 0.00 H new ATOM 0 HB3 ASN A 9 37.060 36.519 39.663 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.499 38.764 42.719 1.00 0.00 H new ATOM 0 HD22 ASN A 9 35.419 38.106 41.485 1.00 0.00 H new ATOM 131 N ALA A 10 37.294 37.595 36.297 1.00 0.00 N ATOM 132 CA ALA A 10 37.309 36.962 35.014 1.00 0.00 C ATOM 133 C ALA A 10 38.601 37.157 34.297 1.00 0.00 C ATOM 134 O ALA A 10 39.115 36.223 33.683 1.00 0.00 O ATOM 135 CB ALA A 10 36.120 37.405 34.145 1.00 0.00 C ATOM 0 H ALA A 10 36.676 38.405 36.349 1.00 0.00 H new ATOM 0 HA ALA A 10 37.206 35.893 35.199 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.168 36.902 33.179 1.00 0.00 H new ATOM 0 HB2 ALA A 10 35.187 37.144 34.644 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.161 38.484 33.995 1.00 0.00 H new ATOM 141 N ILE A 11 39.235 38.339 34.392 1.00 0.00 N ATOM 142 CA ILE A 11 40.550 38.589 33.888 1.00 0.00 C ATOM 143 C ILE A 11 41.555 37.652 34.463 1.00 0.00 C ATOM 144 O ILE A 11 42.291 36.979 33.742 1.00 0.00 O ATOM 145 CB ILE A 11 41.043 39.978 34.162 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.088 41.077 33.669 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.394 40.235 33.470 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.519 40.866 32.266 1.00 0.00 C ATOM 0 H ILE A 11 38.814 39.154 34.838 1.00 0.00 H new ATOM 0 HA ILE A 11 40.452 38.446 32.812 1.00 0.00 H new ATOM 0 HB ILE A 11 41.126 40.029 35.248 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.258 41.157 34.372 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.616 42.030 33.690 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.726 41.250 33.687 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.133 39.524 33.840 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.280 40.113 32.393 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.858 41.695 32.013 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.336 40.820 31.545 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.957 39.932 32.238 1.00 0.00 H new ATOM 160 N SER A 12 41.583 37.545 35.803 1.00 0.00 N ATOM 161 CA SER A 12 42.465 36.661 36.501 1.00 0.00 C ATOM 162 C SER A 12 42.266 35.215 36.200 1.00 0.00 C ATOM 163 O SER A 12 43.232 34.456 36.192 1.00 0.00 O ATOM 164 CB SER A 12 42.510 36.911 38.018 1.00 0.00 C ATOM 165 OG SER A 12 41.288 36.598 38.668 1.00 0.00 O ATOM 0 H SER A 12 40.976 38.087 36.418 1.00 0.00 H new ATOM 0 HA SER A 12 43.444 36.919 36.098 1.00 0.00 H new ATOM 0 HB2 SER A 12 43.311 36.315 38.455 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.755 37.957 38.201 1.00 0.00 H new ATOM 0 HG SER A 12 40.578 36.498 38.000 1.00 0.00 H new ATOM 171 N TYR A 13 41.037 34.782 35.864 1.00 0.00 N ATOM 172 CA TYR A 13 40.741 33.476 35.362 1.00 0.00 C ATOM 173 C TYR A 13 41.350 33.219 34.027 1.00 0.00 C ATOM 174 O TYR A 13 42.086 32.250 33.848 1.00 0.00 O ATOM 175 CB TYR A 13 39.219 33.264 35.291 1.00 0.00 C ATOM 176 CG TYR A 13 38.737 31.893 34.962 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.427 30.730 35.211 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.513 31.819 34.341 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.927 29.519 34.797 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.013 30.617 33.897 1.00 0.00 C ATOM 181 CZ TYR A 13 37.736 29.467 34.111 1.00 0.00 C ATOM 182 OH TYR A 13 37.256 28.254 33.574 1.00 0.00 O ATOM 0 H TYR A 13 40.209 35.372 35.947 1.00 0.00 H new ATOM 0 HA TYR A 13 41.182 32.764 36.060 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.793 33.550 36.253 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.817 33.951 34.547 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.370 30.769 35.736 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.934 32.720 34.199 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.468 28.609 35.010 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.063 30.577 33.386 1.00 0.00 H new ATOM 0 HH TYR A 13 37.585 27.505 34.113 1.00 0.00 H new ATOM 192 N VAL A 14 41.111 34.077 33.019 1.00 0.00 N ATOM 193 CA VAL A 14 41.668 33.961 31.706 1.00 0.00 C ATOM 194 C VAL A 14 43.154 34.055 31.714 1.00 0.00 C ATOM 195 O VAL A 14 43.858 33.310 31.034 1.00 0.00 O ATOM 196 CB VAL A 14 41.105 34.998 30.780 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.579 34.751 29.338 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.573 34.868 30.754 1.00 0.00 C ATOM 0 H VAL A 14 40.502 34.888 33.124 1.00 0.00 H new ATOM 0 HA VAL A 14 41.391 32.971 31.344 1.00 0.00 H new ATOM 0 HB VAL A 14 41.432 35.976 31.132 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.160 35.514 28.682 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.667 34.797 29.300 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.246 33.767 29.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.155 35.619 30.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.298 33.874 30.402 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.178 35.020 31.759 1.00 0.00 H new ATOM 208 N ASN A 15 43.715 34.954 32.543 1.00 0.00 N ATOM 209 CA ASN A 15 45.122 34.996 32.797 1.00 0.00 C ATOM 210 C ASN A 15 45.709 33.750 33.364 1.00 0.00 C ATOM 211 O ASN A 15 46.752 33.288 32.904 1.00 0.00 O ATOM 212 CB ASN A 15 45.507 36.200 33.672 1.00 0.00 C ATOM 213 CG ASN A 15 46.932 36.633 33.363 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.208 37.168 32.290 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.873 36.401 34.317 1.00 0.00 N ATOM 0 H ASN A 15 43.182 35.664 33.046 1.00 0.00 H new ATOM 0 HA ASN A 15 45.558 35.102 31.804 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.820 37.026 33.491 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.418 35.937 34.726 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.842 36.673 34.154 1.00 0.00 H new ATOM 0 HD22 ASN A 15 47.609 35.955 35.196 1.00 0.00 H new ATOM 222 N LYS A 16 45.071 33.112 34.361 1.00 0.00 N ATOM 223 CA LYS A 16 45.440 31.843 34.907 1.00 0.00 C ATOM 224 C LYS A 16 45.423 30.751 33.893 1.00 0.00 C ATOM 225 O LYS A 16 46.336 29.929 33.829 1.00 0.00 O ATOM 226 CB LYS A 16 44.462 31.521 36.049 1.00 0.00 C ATOM 227 CG LYS A 16 44.800 30.252 36.836 1.00 0.00 C ATOM 228 CD LYS A 16 43.873 30.091 38.043 1.00 0.00 C ATOM 229 CE LYS A 16 44.127 28.808 38.838 1.00 0.00 C ATOM 230 NZ LYS A 16 43.277 28.783 40.050 1.00 0.00 N ATOM 0 H LYS A 16 44.247 33.507 34.813 1.00 0.00 H new ATOM 0 HA LYS A 16 46.466 31.905 35.269 1.00 0.00 H new ATOM 0 HB2 LYS A 16 44.438 32.365 36.738 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.459 31.420 35.634 1.00 0.00 H new ATOM 0 HG2 LYS A 16 44.710 29.382 36.186 1.00 0.00 H new ATOM 0 HG3 LYS A 16 45.836 30.293 37.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.996 30.949 38.704 1.00 0.00 H new ATOM 0 HD3 LYS A 16 42.838 30.099 37.701 1.00 0.00 H new ATOM 0 HE2 LYS A 16 43.914 27.938 38.217 1.00 0.00 H new ATOM 0 HE3 LYS A 16 45.178 28.748 39.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.206 27.808 40.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 43.700 29.388 40.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.327 29.136 39.815 1.00 0.00 H new ATOM 244 N ILE A 17 44.404 30.743 33.015 1.00 0.00 N ATOM 245 CA ILE A 17 44.295 29.919 31.850 1.00 0.00 C ATOM 246 C ILE A 17 45.448 30.100 30.924 1.00 0.00 C ATOM 247 O ILE A 17 46.083 29.113 30.555 1.00 0.00 O ATOM 248 CB ILE A 17 42.963 30.134 31.198 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.857 29.502 32.061 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.939 29.587 29.761 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.441 29.802 31.570 1.00 0.00 C ATOM 0 H ILE A 17 43.598 31.358 33.128 1.00 0.00 H new ATOM 0 HA ILE A 17 44.343 28.873 32.152 1.00 0.00 H new ATOM 0 HB ILE A 17 42.781 31.206 31.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 42.001 28.422 32.085 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.959 29.860 33.085 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.957 29.761 29.322 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.698 30.094 29.166 1.00 0.00 H new ATOM 0 HG23 ILE A 17 43.145 28.517 29.776 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.718 29.322 32.230 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.276 30.879 31.572 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.318 29.418 30.557 1.00 0.00 H new ATOM 263 N LYS A 18 45.817 31.332 30.530 1.00 0.00 N ATOM 264 CA LYS A 18 46.958 31.608 29.715 1.00 0.00 C ATOM 265 C LYS A 18 48.247 31.107 30.269 1.00 0.00 C ATOM 266 O LYS A 18 49.027 30.482 29.553 1.00 0.00 O ATOM 267 CB LYS A 18 47.145 33.107 29.422 1.00 0.00 C ATOM 268 CG LYS A 18 46.065 33.730 28.535 1.00 0.00 C ATOM 269 CD LYS A 18 46.408 35.107 27.960 1.00 0.00 C ATOM 270 CE LYS A 18 46.759 36.218 28.951 1.00 0.00 C ATOM 271 NZ LYS A 18 48.205 36.246 29.262 1.00 0.00 N ATOM 0 H LYS A 18 45.298 32.171 30.791 1.00 0.00 H new ATOM 0 HA LYS A 18 46.728 31.065 28.798 1.00 0.00 H new ATOM 0 HB2 LYS A 18 47.173 33.647 30.369 1.00 0.00 H new ATOM 0 HB3 LYS A 18 48.114 33.251 28.945 1.00 0.00 H new ATOM 0 HG2 LYS A 18 45.859 33.050 27.708 1.00 0.00 H new ATOM 0 HG3 LYS A 18 45.146 33.815 29.114 1.00 0.00 H new ATOM 0 HD2 LYS A 18 47.249 34.987 27.278 1.00 0.00 H new ATOM 0 HD3 LYS A 18 45.560 35.443 27.364 1.00 0.00 H new ATOM 0 HE2 LYS A 18 46.458 37.181 28.538 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.193 36.075 29.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.338 36.370 30.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.642 35.351 28.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 48.653 37.037 28.757 1.00 0.00 H new ATOM 285 N THR A 19 48.505 31.349 31.566 1.00 0.00 N ATOM 286 CA THR A 19 49.667 30.918 32.279 1.00 0.00 C ATOM 287 C THR A 19 49.753 29.440 32.448 1.00 0.00 C ATOM 288 O THR A 19 50.842 28.867 32.414 1.00 0.00 O ATOM 289 CB THR A 19 49.745 31.613 33.606 1.00 0.00 C ATOM 290 OG1 THR A 19 49.883 33.014 33.415 1.00 0.00 O ATOM 291 CG2 THR A 19 50.978 31.195 34.424 1.00 0.00 C ATOM 0 H THR A 19 47.861 31.879 32.153 1.00 0.00 H new ATOM 0 HA THR A 19 50.526 31.196 31.669 1.00 0.00 H new ATOM 0 HB THR A 19 48.830 31.342 34.132 1.00 0.00 H new ATOM 0 HG1 THR A 19 49.006 33.406 33.222 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.983 31.729 35.374 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.944 30.122 34.611 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.883 31.437 33.867 1.00 0.00 H new ATOM 299 N ARG A 20 48.634 28.711 32.599 1.00 0.00 N ATOM 300 CA ARG A 20 48.631 27.282 32.523 1.00 0.00 C ATOM 301 C ARG A 20 48.864 26.797 31.134 1.00 0.00 C ATOM 302 O ARG A 20 49.761 25.992 30.893 1.00 0.00 O ATOM 303 CB ARG A 20 47.328 26.697 33.093 1.00 0.00 C ATOM 304 CG ARG A 20 47.485 25.755 34.289 1.00 0.00 C ATOM 305 CD ARG A 20 48.096 24.387 33.979 1.00 0.00 C ATOM 306 NE ARG A 20 47.911 23.536 35.189 1.00 0.00 N ATOM 307 CZ ARG A 20 48.032 22.177 35.161 1.00 0.00 C ATOM 308 NH1 ARG A 20 48.673 21.537 34.139 1.00 0.00 N ATOM 309 NH2 ARG A 20 47.484 21.426 36.161 1.00 0.00 N ATOM 0 H ARG A 20 47.716 29.119 32.777 1.00 0.00 H new ATOM 0 HA ARG A 20 49.461 26.930 33.136 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.680 27.523 33.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 46.815 26.159 32.296 1.00 0.00 H new ATOM 0 HG2 ARG A 20 48.105 26.248 35.038 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.504 25.601 34.738 1.00 0.00 H new ATOM 0 HD2 ARG A 20 47.610 23.936 33.114 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.154 24.485 33.736 1.00 0.00 H new ATOM 0 HE ARG A 20 47.685 23.988 36.075 1.00 0.00 H new ATOM 0 HH11 ARG A 20 49.075 22.076 33.372 1.00 0.00 H new ATOM 0 HH12 ARG A 20 48.749 20.520 34.142 1.00 0.00 H new ATOM 0 HH21 ARG A 20 46.986 21.881 36.926 1.00 0.00 H new ATOM 0 HH22 ARG A 20 47.573 20.410 36.143 1.00 0.00 H new ATOM 323 N PHE A 21 48.084 27.283 30.151 1.00 0.00 N ATOM 324 CA PHE A 21 48.068 26.839 28.792 1.00 0.00 C ATOM 325 C PHE A 21 49.168 27.402 27.960 1.00 0.00 C ATOM 326 O PHE A 21 49.005 27.736 26.787 1.00 0.00 O ATOM 327 CB PHE A 21 46.730 27.159 28.103 1.00 0.00 C ATOM 328 CG PHE A 21 45.543 26.412 28.609 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.571 25.449 29.590 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.343 26.724 28.016 1.00 0.00 C ATOM 331 CE1 PHE A 21 44.410 24.846 30.014 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.177 26.118 28.425 1.00 0.00 C ATOM 333 CZ PHE A 21 43.210 25.187 29.436 1.00 0.00 C ATOM 0 H PHE A 21 47.419 28.038 30.319 1.00 0.00 H new ATOM 0 HA PHE A 21 48.212 25.761 28.859 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.535 28.226 28.208 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.835 26.957 27.037 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.514 25.163 30.032 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.315 27.453 27.220 1.00 0.00 H new ATOM 0 HE1 PHE A 21 44.441 24.106 30.800 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.239 26.373 27.953 1.00 0.00 H new ATOM 0 HZ PHE A 21 42.295 24.724 29.776 1.00 0.00 H new ATOM 343 N LEU A 22 50.396 27.435 28.505 1.00 0.00 N ATOM 344 CA LEU A 22 51.601 27.659 27.766 1.00 0.00 C ATOM 345 C LEU A 22 51.930 26.440 26.976 1.00 0.00 C ATOM 346 O LEU A 22 52.335 26.486 25.815 1.00 0.00 O ATOM 347 CB LEU A 22 52.760 28.081 28.686 1.00 0.00 C ATOM 348 CG LEU A 22 52.446 29.384 29.440 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.532 29.595 30.508 1.00 0.00 C ATOM 350 CD2 LEU A 22 52.343 30.634 28.549 1.00 0.00 C ATOM 0 H LEU A 22 50.557 27.300 29.503 1.00 0.00 H new ATOM 0 HA LEU A 22 51.445 28.488 27.075 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.962 27.286 29.403 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.665 28.213 28.093 1.00 0.00 H new ATOM 0 HG LEU A 22 51.456 29.264 29.880 1.00 0.00 H new ATOM 0 HD11 LEU A 22 53.329 30.515 31.056 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.531 28.753 31.200 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.507 29.667 30.026 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.119 31.504 29.167 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.289 30.791 28.031 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.547 30.495 27.817 1.00 0.00 H new ATOM 362 N ASP A 23 51.653 25.272 27.583 1.00 0.00 N ATOM 363 CA ASP A 23 51.691 23.993 26.945 1.00 0.00 C ATOM 364 C ASP A 23 50.584 23.785 25.969 1.00 0.00 C ATOM 365 O ASP A 23 50.668 22.913 25.106 1.00 0.00 O ATOM 366 CB ASP A 23 51.628 22.878 28.001 1.00 0.00 C ATOM 367 CG ASP A 23 52.876 22.842 28.872 1.00 0.00 C ATOM 368 OD1 ASP A 23 53.062 23.742 29.734 1.00 0.00 O ATOM 369 OD2 ASP A 23 53.672 21.876 28.732 1.00 0.00 O ATOM 0 H ASP A 23 51.390 25.217 28.567 1.00 0.00 H new ATOM 0 HA ASP A 23 52.629 23.959 26.391 1.00 0.00 H new ATOM 0 HB2 ASP A 23 50.751 23.025 28.631 1.00 0.00 H new ATOM 0 HB3 ASP A 23 51.505 21.916 27.504 1.00 0.00 H new ATOM 374 N HIS A 24 49.497 24.575 26.028 1.00 0.00 N ATOM 375 CA HIS A 24 48.326 24.344 25.241 1.00 0.00 C ATOM 376 C HIS A 24 47.856 25.529 24.471 1.00 0.00 C ATOM 377 O HIS A 24 46.734 25.973 24.714 1.00 0.00 O ATOM 378 CB HIS A 24 47.186 23.832 26.139 1.00 0.00 C ATOM 379 CG HIS A 24 47.512 22.560 26.864 1.00 0.00 C ATOM 380 ND1 HIS A 24 47.892 21.416 26.212 1.00 0.00 N ATOM 381 CD2 HIS A 24 47.534 22.273 28.193 1.00 0.00 C ATOM 382 CE1 HIS A 24 48.166 20.482 27.102 1.00 0.00 C ATOM 383 NE2 HIS A 24 47.966 20.978 28.310 1.00 0.00 N ATOM 0 H HIS A 24 49.430 25.392 26.636 1.00 0.00 H new ATOM 0 HA HIS A 24 48.610 23.595 24.501 1.00 0.00 H new ATOM 0 HB2 HIS A 24 46.937 24.602 26.869 1.00 0.00 H new ATOM 0 HB3 HIS A 24 46.298 23.674 25.528 1.00 0.00 H new ATOM 0 HD2 HIS A 24 47.263 22.937 29.000 1.00 0.00 H new ATOM 0 HE1 HIS A 24 48.499 19.479 26.880 1.00 0.00 H new ATOM 0 HE2 HIS A 24 48.110 20.478 29.187 1.00 0.00 H new ATOM 392 N PRO A 25 48.559 26.097 23.536 1.00 0.00 N ATOM 393 CA PRO A 25 48.227 27.378 22.983 1.00 0.00 C ATOM 394 C PRO A 25 47.121 27.348 21.986 1.00 0.00 C ATOM 395 O PRO A 25 46.554 28.391 21.669 1.00 0.00 O ATOM 396 CB PRO A 25 49.520 27.821 22.302 1.00 0.00 C ATOM 397 CG PRO A 25 50.179 26.506 21.854 1.00 0.00 C ATOM 398 CD PRO A 25 49.823 25.585 23.031 1.00 0.00 C ATOM 0 HA PRO A 25 47.867 28.046 23.765 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.319 28.475 21.454 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.162 28.375 22.987 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.775 26.143 20.909 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.256 26.609 21.721 1.00 0.00 H new ATOM 0 HD2 PRO A 25 49.729 24.548 22.707 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.595 25.610 23.800 1.00 0.00 H new ATOM 406 N GLU A 26 46.778 26.164 21.448 1.00 0.00 N ATOM 407 CA GLU A 26 45.800 25.947 20.428 1.00 0.00 C ATOM 408 C GLU A 26 44.417 26.204 20.918 1.00 0.00 C ATOM 409 O GLU A 26 43.518 26.659 20.212 1.00 0.00 O ATOM 410 CB GLU A 26 45.910 24.495 19.933 1.00 0.00 C ATOM 411 CG GLU A 26 47.352 23.982 19.906 1.00 0.00 C ATOM 412 CD GLU A 26 47.528 22.676 19.144 1.00 0.00 C ATOM 413 OE1 GLU A 26 46.883 21.653 19.501 1.00 0.00 O ATOM 414 OE2 GLU A 26 48.360 22.646 18.199 1.00 0.00 O ATOM 0 H GLU A 26 47.218 25.295 21.750 1.00 0.00 H new ATOM 0 HA GLU A 26 45.995 26.646 19.615 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.313 23.851 20.578 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.486 24.425 18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 47.990 24.743 19.456 1.00 0.00 H new ATOM 0 HG3 GLU A 26 47.697 23.843 20.931 1.00 0.00 H new ATOM 421 N ILE A 27 44.231 25.945 22.225 1.00 0.00 N ATOM 422 CA ILE A 27 43.032 26.022 23.000 1.00 0.00 C ATOM 423 C ILE A 27 42.544 27.419 23.166 1.00 0.00 C ATOM 424 O ILE A 27 41.353 27.662 23.362 1.00 0.00 O ATOM 425 CB ILE A 27 43.282 25.339 24.312 1.00 0.00 C ATOM 426 CG1 ILE A 27 43.935 23.986 23.980 1.00 0.00 C ATOM 427 CG2 ILE A 27 41.970 25.150 25.091 1.00 0.00 C ATOM 428 CD1 ILE A 27 43.887 23.023 25.163 1.00 0.00 C ATOM 0 H ILE A 27 45.017 25.647 22.803 1.00 0.00 H new ATOM 0 HA ILE A 27 42.226 25.512 22.472 1.00 0.00 H new ATOM 0 HB ILE A 27 43.933 25.937 24.950 1.00 0.00 H new ATOM 0 HG12 ILE A 27 43.426 23.538 23.127 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.972 24.146 23.685 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.178 24.653 26.038 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.518 26.123 25.283 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.283 24.540 24.504 1.00 0.00 H new ATOM 0 HD11 ILE A 27 44.359 22.081 24.884 1.00 0.00 H new ATOM 0 HD12 ILE A 27 44.419 23.459 26.009 1.00 0.00 H new ATOM 0 HD13 ILE A 27 42.849 22.841 25.442 1.00 0.00 H new ATOM 440 N TYR A 28 43.438 28.411 22.998 1.00 0.00 N ATOM 441 CA TYR A 28 43.117 29.804 22.990 1.00 0.00 C ATOM 442 C TYR A 28 42.213 30.183 21.868 1.00 0.00 C ATOM 443 O TYR A 28 41.559 31.225 21.904 1.00 0.00 O ATOM 444 CB TYR A 28 44.388 30.669 23.031 1.00 0.00 C ATOM 445 CG TYR A 28 44.135 31.959 23.731 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.109 31.991 25.105 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.893 33.121 23.037 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.798 33.150 25.776 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.607 34.291 23.697 1.00 0.00 C ATOM 450 CZ TYR A 28 43.547 34.304 25.071 1.00 0.00 C ATOM 451 OH TYR A 28 43.210 35.478 25.777 1.00 0.00 O ATOM 0 H TYR A 28 44.433 28.232 22.861 1.00 0.00 H new ATOM 0 HA TYR A 28 42.555 30.004 23.902 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.185 30.126 23.539 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.732 30.864 22.015 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.336 31.095 25.664 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.928 33.114 21.958 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.751 33.154 26.855 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.430 35.198 23.139 1.00 0.00 H new ATOM 0 HH TYR A 28 43.430 35.364 26.725 1.00 0.00 H new ATOM 461 N ARG A 29 42.119 29.381 20.793 1.00 0.00 N ATOM 462 CA ARG A 29 41.006 29.442 19.899 1.00 0.00 C ATOM 463 C ARG A 29 39.804 28.716 20.399 1.00 0.00 C ATOM 464 O ARG A 29 38.743 29.311 20.574 1.00 0.00 O ATOM 465 CB ARG A 29 41.380 28.930 18.497 1.00 0.00 C ATOM 466 CG ARG A 29 42.169 29.952 17.677 1.00 0.00 C ATOM 467 CD ARG A 29 41.344 31.120 17.132 1.00 0.00 C ATOM 468 NE ARG A 29 40.504 30.619 16.009 1.00 0.00 N ATOM 469 CZ ARG A 29 40.927 30.561 14.712 1.00 0.00 C ATOM 470 NH1 ARG A 29 42.165 30.972 14.311 1.00 0.00 N ATOM 471 NH2 ARG A 29 40.089 30.039 13.769 1.00 0.00 N ATOM 0 H ARG A 29 42.821 28.685 20.542 1.00 0.00 H new ATOM 0 HA ARG A 29 40.742 30.498 19.838 1.00 0.00 H new ATOM 0 HB2 ARG A 29 41.969 28.018 18.595 1.00 0.00 H new ATOM 0 HB3 ARG A 29 40.470 28.665 17.958 1.00 0.00 H new ATOM 0 HG2 ARG A 29 42.971 30.352 18.297 1.00 0.00 H new ATOM 0 HG3 ARG A 29 42.640 29.438 16.839 1.00 0.00 H new ATOM 0 HD2 ARG A 29 40.716 31.540 17.918 1.00 0.00 H new ATOM 0 HD3 ARG A 29 42.000 31.919 16.788 1.00 0.00 H new ATOM 0 HE ARG A 29 39.558 30.301 16.221 1.00 0.00 H new ATOM 0 HH11 ARG A 29 42.825 31.344 14.994 1.00 0.00 H new ATOM 0 HH12 ARG A 29 42.431 30.907 13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 29 39.165 29.701 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 29 40.387 29.987 12.795 1.00 0.00 H new ATOM 485 N SER A 30 39.896 27.394 20.633 1.00 0.00 N ATOM 486 CA SER A 30 38.754 26.538 20.737 1.00 0.00 C ATOM 487 C SER A 30 37.933 26.724 21.966 1.00 0.00 C ATOM 488 O SER A 30 36.712 26.594 21.906 1.00 0.00 O ATOM 489 CB SER A 30 39.096 25.058 20.498 1.00 0.00 C ATOM 490 OG SER A 30 40.204 24.628 21.275 1.00 0.00 O ATOM 0 H SER A 30 40.785 26.908 20.753 1.00 0.00 H new ATOM 0 HA SER A 30 38.111 26.866 19.920 1.00 0.00 H new ATOM 0 HB2 SER A 30 38.228 24.444 20.737 1.00 0.00 H new ATOM 0 HB3 SER A 30 39.315 24.904 19.441 1.00 0.00 H new ATOM 0 HG SER A 30 40.384 23.682 21.092 1.00 0.00 H new ATOM 496 N PHE A 31 38.533 27.101 23.110 1.00 0.00 N ATOM 497 CA PHE A 31 37.841 27.465 24.307 1.00 0.00 C ATOM 498 C PHE A 31 36.836 28.545 24.100 1.00 0.00 C ATOM 499 O PHE A 31 35.667 28.424 24.462 1.00 0.00 O ATOM 500 CB PHE A 31 38.890 27.872 25.357 1.00 0.00 C ATOM 501 CG PHE A 31 38.411 28.445 26.646 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.308 27.977 27.320 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.137 29.464 27.216 1.00 0.00 C ATOM 504 CE1 PHE A 31 36.933 28.524 28.525 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.771 30.022 28.418 1.00 0.00 C ATOM 506 CZ PHE A 31 37.659 29.553 29.077 1.00 0.00 C ATOM 0 H PHE A 31 39.547 27.154 23.204 1.00 0.00 H new ATOM 0 HA PHE A 31 37.266 26.605 24.651 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.490 26.991 25.587 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.557 28.601 24.896 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.728 27.169 26.898 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.015 29.835 26.708 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.064 28.143 29.040 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.354 30.825 28.843 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.359 29.988 30.019 1.00 0.00 H new ATOM 516 N LEU A 32 37.253 29.659 23.470 1.00 0.00 N ATOM 517 CA LEU A 32 36.407 30.793 23.262 1.00 0.00 C ATOM 518 C LEU A 32 35.398 30.554 22.192 1.00 0.00 C ATOM 519 O LEU A 32 34.259 31.011 22.281 1.00 0.00 O ATOM 520 CB LEU A 32 37.179 32.047 22.820 1.00 0.00 C ATOM 521 CG LEU A 32 38.654 32.148 23.247 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.330 33.106 22.253 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.848 32.609 24.701 1.00 0.00 C ATOM 0 H LEU A 32 38.196 29.774 23.098 1.00 0.00 H new ATOM 0 HA LEU A 32 35.937 30.949 24.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.137 32.104 21.732 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.654 32.921 23.206 1.00 0.00 H new ATOM 0 HG LEU A 32 39.108 31.157 23.222 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.383 33.214 22.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.243 32.704 21.244 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.843 34.080 22.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.913 32.656 24.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.405 33.596 24.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.364 31.902 25.375 1.00 0.00 H new ATOM 535 N GLU A 33 35.794 29.862 21.108 1.00 0.00 N ATOM 536 CA GLU A 33 34.934 29.475 20.034 1.00 0.00 C ATOM 537 C GLU A 33 33.718 28.708 20.427 1.00 0.00 C ATOM 538 O GLU A 33 32.649 28.927 19.859 1.00 0.00 O ATOM 539 CB GLU A 33 35.699 28.760 18.907 1.00 0.00 C ATOM 540 CG GLU A 33 36.568 29.729 18.104 1.00 0.00 C ATOM 541 CD GLU A 33 37.249 29.119 16.887 1.00 0.00 C ATOM 542 OE1 GLU A 33 37.205 27.880 16.667 1.00 0.00 O ATOM 543 OE2 GLU A 33 37.816 29.914 16.090 1.00 0.00 O ATOM 0 H GLU A 33 36.759 29.559 20.975 1.00 0.00 H new ATOM 0 HA GLU A 33 34.555 30.424 19.656 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.327 27.978 19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 33 34.989 28.271 18.240 1.00 0.00 H new ATOM 0 HG2 GLU A 33 35.948 30.564 17.776 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.333 30.140 18.763 1.00 0.00 H new ATOM 550 N ILE A 34 33.790 27.837 21.448 1.00 0.00 N ATOM 551 CA ILE A 34 32.665 27.180 22.037 1.00 0.00 C ATOM 552 C ILE A 34 31.759 28.134 22.737 1.00 0.00 C ATOM 553 O ILE A 34 30.541 28.094 22.565 1.00 0.00 O ATOM 554 CB ILE A 34 33.134 26.065 22.926 1.00 0.00 C ATOM 555 CG1 ILE A 34 33.821 24.965 22.099 1.00 0.00 C ATOM 556 CG2 ILE A 34 31.960 25.464 23.719 1.00 0.00 C ATOM 557 CD1 ILE A 34 34.745 24.076 22.930 1.00 0.00 C ATOM 0 H ILE A 34 34.675 27.578 21.884 1.00 0.00 H new ATOM 0 HA ILE A 34 32.063 26.743 21.241 1.00 0.00 H new ATOM 0 HB ILE A 34 33.854 26.481 23.630 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.059 24.345 21.627 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.397 25.428 21.298 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.326 24.658 24.356 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.505 26.237 24.338 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.217 25.070 23.026 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.198 23.321 22.288 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.528 24.686 23.381 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.169 23.586 23.715 1.00 0.00 H new ATOM 569 N LEU A 35 32.269 29.097 23.526 1.00 0.00 N ATOM 570 CA LEU A 35 31.437 30.096 24.122 1.00 0.00 C ATOM 571 C LEU A 35 30.803 31.019 23.139 1.00 0.00 C ATOM 572 O LEU A 35 29.645 31.412 23.273 1.00 0.00 O ATOM 573 CB LEU A 35 32.241 30.934 25.132 1.00 0.00 C ATOM 574 CG LEU A 35 33.233 30.185 26.038 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.471 31.015 27.311 1.00 0.00 C ATOM 576 CD2 LEU A 35 32.827 28.817 26.614 1.00 0.00 C ATOM 0 H LEU A 35 33.260 29.184 23.752 1.00 0.00 H new ATOM 0 HA LEU A 35 30.636 29.547 24.618 1.00 0.00 H new ATOM 0 HB2 LEU A 35 32.796 31.690 24.577 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.533 31.463 25.771 1.00 0.00 H new ATOM 0 HG LEU A 35 34.070 30.032 25.357 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.173 30.492 27.960 1.00 0.00 H new ATOM 0 HD12 LEU A 35 33.882 31.987 27.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.526 31.155 27.836 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.638 28.426 27.229 1.00 0.00 H new ATOM 0 HD22 LEU A 35 31.931 28.931 27.224 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.625 28.124 25.797 1.00 0.00 H new ATOM 588 N HIS A 36 31.541 31.379 22.074 1.00 0.00 N ATOM 589 CA HIS A 36 31.087 32.159 20.966 1.00 0.00 C ATOM 590 C HIS A 36 29.992 31.516 20.188 1.00 0.00 C ATOM 591 O HIS A 36 29.163 32.229 19.623 1.00 0.00 O ATOM 592 CB HIS A 36 32.194 32.553 19.972 1.00 0.00 C ATOM 593 CG HIS A 36 33.233 33.499 20.496 1.00 0.00 C ATOM 594 ND1 HIS A 36 32.951 34.771 20.920 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.588 33.380 20.502 1.00 0.00 C ATOM 596 CE1 HIS A 36 34.083 35.400 21.177 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.088 34.578 20.939 1.00 0.00 N ATOM 0 H HIS A 36 32.520 31.106 21.982 1.00 0.00 H new ATOM 0 HA HIS A 36 30.711 33.058 21.455 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.693 31.645 19.634 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.727 33.004 19.097 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.159 32.509 20.217 1.00 0.00 H new ATOM 0 HE1 HIS A 36 34.172 36.419 21.525 1.00 0.00 H new ATOM 0 HE2 HIS A 36 36.076 34.799 21.061 1.00 0.00 H new ATOM 606 N THR A 37 29.892 30.175 20.162 1.00 0.00 N ATOM 607 CA THR A 37 28.794 29.431 19.629 1.00 0.00 C ATOM 608 C THR A 37 27.484 29.844 20.206 1.00 0.00 C ATOM 609 O THR A 37 26.490 29.969 19.491 1.00 0.00 O ATOM 610 CB THR A 37 29.014 27.952 19.748 1.00 0.00 C ATOM 611 OG1 THR A 37 29.341 27.356 18.501 1.00 0.00 O ATOM 612 CG2 THR A 37 27.849 27.132 20.327 1.00 0.00 C ATOM 0 H THR A 37 30.625 29.573 20.537 1.00 0.00 H new ATOM 0 HA THR A 37 28.749 29.669 18.566 1.00 0.00 H new ATOM 0 HB THR A 37 29.839 27.911 20.459 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.478 26.393 18.624 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.128 26.079 20.363 1.00 0.00 H new ATOM 0 HG22 THR A 37 27.623 27.482 21.334 1.00 0.00 H new ATOM 0 HG23 THR A 37 26.969 27.253 19.695 1.00 0.00 H new ATOM 620 N TYR A 38 27.434 30.149 21.515 1.00 0.00 N ATOM 621 CA TYR A 38 26.302 30.806 22.090 1.00 0.00 C ATOM 622 C TYR A 38 26.315 32.262 21.771 1.00 0.00 C ATOM 623 O TYR A 38 25.392 32.805 21.166 1.00 0.00 O ATOM 624 CB TYR A 38 26.235 30.470 23.590 1.00 0.00 C ATOM 625 CG TYR A 38 25.815 31.526 24.553 1.00 0.00 C ATOM 626 CD1 TYR A 38 24.675 32.260 24.325 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.587 31.797 25.658 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.358 33.323 25.138 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.261 32.844 26.488 1.00 0.00 C ATOM 630 CZ TYR A 38 25.164 33.625 26.211 1.00 0.00 C ATOM 631 OH TYR A 38 24.862 34.746 27.012 1.00 0.00 O ATOM 0 H TYR A 38 28.181 29.940 22.177 1.00 0.00 H new ATOM 0 HA TYR A 38 25.374 30.440 21.650 1.00 0.00 H new ATOM 0 HB2 TYR A 38 25.552 29.628 23.708 1.00 0.00 H new ATOM 0 HB3 TYR A 38 27.223 30.124 23.893 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.025 32.000 23.503 1.00 0.00 H new ATOM 0 HD2 TYR A 38 27.451 31.186 25.875 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.480 33.918 24.935 1.00 0.00 H new ATOM 0 HE2 TYR A 38 26.867 33.053 27.357 1.00 0.00 H new ATOM 0 HH TYR A 38 25.525 34.823 27.730 1.00 0.00 H new ATOM 641 N GLN A 39 27.372 32.963 22.217 1.00 0.00 N ATOM 642 CA GLN A 39 27.401 34.380 22.403 1.00 0.00 C ATOM 643 C GLN A 39 27.256 35.203 21.170 1.00 0.00 C ATOM 644 O GLN A 39 26.709 36.304 21.217 1.00 0.00 O ATOM 645 CB GLN A 39 28.704 34.597 23.191 1.00 0.00 C ATOM 646 CG GLN A 39 28.874 35.961 23.861 1.00 0.00 C ATOM 647 CD GLN A 39 29.532 36.951 22.911 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.436 36.618 22.145 1.00 0.00 O ATOM 649 NE2 GLN A 39 29.090 38.235 22.989 1.00 0.00 N ATOM 0 H GLN A 39 28.255 32.515 22.461 1.00 0.00 H new ATOM 0 HA GLN A 39 26.523 34.738 22.940 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.770 33.828 23.960 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.543 34.442 22.513 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.902 36.341 24.174 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.480 35.856 24.761 1.00 0.00 H new ATOM 0 HE21 GLN A 39 28.339 38.477 23.635 1.00 0.00 H new ATOM 0 HE22 GLN A 39 29.510 38.955 22.402 1.00 0.00 H new ATOM 898 N SER A 54 22.141 25.163 25.995 1.00 0.00 N ATOM 899 CA SER A 54 22.514 24.681 27.289 1.00 0.00 C ATOM 900 C SER A 54 23.842 25.223 27.693 1.00 0.00 C ATOM 901 O SER A 54 24.850 24.994 27.027 1.00 0.00 O ATOM 902 CB SER A 54 22.657 23.150 27.326 1.00 0.00 C ATOM 903 OG SER A 54 21.475 22.504 26.876 1.00 0.00 O ATOM 0 HA SER A 54 21.718 25.005 27.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.498 22.847 26.702 1.00 0.00 H new ATOM 0 HB3 SER A 54 22.883 22.829 28.343 1.00 0.00 H new ATOM 0 HG SER A 54 21.013 23.079 26.231 1.00 0.00 H new ATOM 909 N GLU A 55 23.929 25.896 28.854 1.00 0.00 N ATOM 910 CA GLU A 55 25.160 26.227 29.503 1.00 0.00 C ATOM 911 C GLU A 55 25.978 25.028 29.841 1.00 0.00 C ATOM 912 O GLU A 55 27.207 25.039 29.857 1.00 0.00 O ATOM 913 CB GLU A 55 24.897 27.070 30.762 1.00 0.00 C ATOM 914 CG GLU A 55 24.143 26.342 31.877 1.00 0.00 C ATOM 915 CD GLU A 55 23.553 27.287 32.913 1.00 0.00 C ATOM 916 OE1 GLU A 55 23.079 28.395 32.543 1.00 0.00 O ATOM 917 OE2 GLU A 55 23.469 26.880 34.103 1.00 0.00 O ATOM 0 H GLU A 55 23.107 26.223 29.362 1.00 0.00 H new ATOM 0 HA GLU A 55 25.741 26.814 28.791 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.852 27.417 31.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.329 27.956 30.477 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.342 25.748 31.438 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.821 25.647 32.372 1.00 0.00 H new ATOM 924 N GLU A 56 25.311 23.874 30.025 1.00 0.00 N ATOM 925 CA GLU A 56 25.924 22.583 30.086 1.00 0.00 C ATOM 926 C GLU A 56 26.679 22.180 28.867 1.00 0.00 C ATOM 927 O GLU A 56 27.621 21.402 29.010 1.00 0.00 O ATOM 928 CB GLU A 56 24.885 21.495 30.408 1.00 0.00 C ATOM 929 CG GLU A 56 24.200 21.640 31.769 1.00 0.00 C ATOM 930 CD GLU A 56 23.032 22.614 31.834 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.707 23.291 30.822 1.00 0.00 O ATOM 932 OE2 GLU A 56 22.385 22.665 32.913 1.00 0.00 O ATOM 0 H GLU A 56 24.298 23.840 30.136 1.00 0.00 H new ATOM 0 HA GLU A 56 26.658 22.675 30.887 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.121 21.501 29.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.374 20.522 30.366 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.844 20.658 32.080 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.948 21.953 32.497 1.00 0.00 H new ATOM 939 N GLU A 57 26.343 22.621 27.642 1.00 0.00 N ATOM 940 CA GLU A 57 27.015 22.175 26.460 1.00 0.00 C ATOM 941 C GLU A 57 28.274 22.941 26.241 1.00 0.00 C ATOM 942 O GLU A 57 29.303 22.424 25.807 1.00 0.00 O ATOM 943 CB GLU A 57 26.174 22.107 25.174 1.00 0.00 C ATOM 944 CG GLU A 57 26.373 23.225 24.148 1.00 0.00 C ATOM 945 CD GLU A 57 25.618 22.924 22.862 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.367 22.787 22.915 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.266 22.785 21.790 1.00 0.00 O ATOM 0 H GLU A 57 25.597 23.295 27.469 1.00 0.00 H new ATOM 0 HA GLU A 57 27.244 21.130 26.670 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.384 21.157 24.683 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.122 22.093 25.459 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.027 24.171 24.564 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.435 23.341 23.932 1.00 0.00 H new ATOM 954 N VAL A 58 28.196 24.243 26.565 1.00 0.00 N ATOM 955 CA VAL A 58 29.266 25.186 26.447 1.00 0.00 C ATOM 956 C VAL A 58 30.380 24.832 27.371 1.00 0.00 C ATOM 957 O VAL A 58 31.563 24.897 27.040 1.00 0.00 O ATOM 958 CB VAL A 58 28.689 26.567 26.541 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.836 27.226 27.924 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.396 27.482 25.527 1.00 0.00 C ATOM 0 H VAL A 58 27.340 24.661 26.929 1.00 0.00 H new ATOM 0 HA VAL A 58 29.755 25.155 25.474 1.00 0.00 H new ATOM 0 HB VAL A 58 27.624 26.451 26.341 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.392 28.221 27.902 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.328 26.618 28.673 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.893 27.306 28.178 1.00 0.00 H new ATOM 0 HG21 VAL A 58 28.980 28.487 25.592 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.463 27.516 25.749 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.248 27.092 24.520 1.00 0.00 H new ATOM 970 N PHE A 59 29.991 24.305 28.546 1.00 0.00 N ATOM 971 CA PHE A 59 30.779 23.525 29.450 1.00 0.00 C ATOM 972 C PHE A 59 31.283 22.251 28.863 1.00 0.00 C ATOM 973 O PHE A 59 32.491 22.019 28.833 1.00 0.00 O ATOM 974 CB PHE A 59 29.945 23.256 30.715 1.00 0.00 C ATOM 975 CG PHE A 59 30.664 22.674 31.883 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.042 21.352 31.916 1.00 0.00 C ATOM 977 CD2 PHE A 59 30.875 23.446 33.001 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.648 20.819 33.030 1.00 0.00 C ATOM 979 CE2 PHE A 59 31.485 22.928 34.120 1.00 0.00 C ATOM 980 CZ PHE A 59 31.874 21.610 34.132 1.00 0.00 C ATOM 0 H PHE A 59 29.041 24.438 28.892 1.00 0.00 H new ATOM 0 HA PHE A 59 31.674 24.099 29.691 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.492 24.196 31.029 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.130 22.583 30.448 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.861 20.724 31.056 1.00 0.00 H new ATOM 0 HD2 PHE A 59 30.556 24.478 33.001 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.946 19.781 33.039 1.00 0.00 H new ATOM 0 HE2 PHE A 59 31.657 23.553 34.984 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.356 21.196 35.005 1.00 0.00 H new ATOM 990 N THR A 60 30.403 21.353 28.387 1.00 0.00 N ATOM 991 CA THR A 60 30.675 20.047 27.872 1.00 0.00 C ATOM 992 C THR A 60 31.775 19.956 26.873 1.00 0.00 C ATOM 993 O THR A 60 32.620 19.065 26.948 1.00 0.00 O ATOM 994 CB THR A 60 29.451 19.314 27.406 1.00 0.00 C ATOM 995 OG1 THR A 60 29.286 18.067 28.064 1.00 0.00 O ATOM 996 CG2 THR A 60 29.340 19.060 25.893 1.00 0.00 C ATOM 0 H THR A 60 29.405 21.564 28.361 1.00 0.00 H new ATOM 0 HA THR A 60 31.054 19.531 28.754 1.00 0.00 H new ATOM 0 HB THR A 60 28.659 20.015 27.671 1.00 0.00 H new ATOM 0 HG1 THR A 60 28.477 17.626 27.731 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.415 18.524 25.681 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.337 20.013 25.363 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.189 18.463 25.561 1.00 0.00 H new ATOM 1004 N GLU A 61 31.843 20.895 25.910 1.00 0.00 N ATOM 1005 CA GLU A 61 32.910 20.913 24.959 1.00 0.00 C ATOM 1006 C GLU A 61 34.194 21.359 25.569 1.00 0.00 C ATOM 1007 O GLU A 61 35.163 20.605 25.500 1.00 0.00 O ATOM 1008 CB GLU A 61 32.518 21.569 23.624 1.00 0.00 C ATOM 1009 CG GLU A 61 31.449 20.760 22.889 1.00 0.00 C ATOM 1010 CD GLU A 61 31.325 21.159 21.425 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.332 21.030 20.679 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.205 21.546 20.998 1.00 0.00 O ATOM 0 H GLU A 61 31.158 21.641 25.791 1.00 0.00 H new ATOM 0 HA GLU A 61 33.111 19.884 24.661 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.148 22.578 23.809 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.401 21.664 22.992 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.691 19.699 22.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.488 20.899 23.384 1.00 0.00 H new ATOM 1019 N VAL A 62 34.252 22.515 26.255 1.00 0.00 N ATOM 1020 CA VAL A 62 35.367 23.069 26.958 1.00 0.00 C ATOM 1021 C VAL A 62 36.061 22.120 27.871 1.00 0.00 C ATOM 1022 O VAL A 62 37.283 22.117 28.021 1.00 0.00 O ATOM 1023 CB VAL A 62 34.890 24.258 27.738 1.00 0.00 C ATOM 1024 CG1 VAL A 62 35.943 24.825 28.706 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.501 25.356 26.735 1.00 0.00 C ATOM 0 H VAL A 62 33.434 23.120 26.322 1.00 0.00 H new ATOM 0 HA VAL A 62 36.107 23.341 26.206 1.00 0.00 H new ATOM 0 HB VAL A 62 34.048 23.932 28.349 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.527 25.682 29.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.226 24.057 29.426 1.00 0.00 H new ATOM 0 HG13 VAL A 62 36.823 25.138 28.144 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.150 26.235 27.276 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.370 25.624 26.133 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.708 24.989 26.084 1.00 0.00 H new ATOM 1035 N ALA A 63 35.292 21.197 28.476 1.00 0.00 N ATOM 1036 CA ALA A 63 35.751 20.181 29.373 1.00 0.00 C ATOM 1037 C ALA A 63 36.743 19.254 28.759 1.00 0.00 C ATOM 1038 O ALA A 63 37.666 18.790 29.426 1.00 0.00 O ATOM 1039 CB ALA A 63 34.572 19.321 29.861 1.00 0.00 C ATOM 0 H ALA A 63 34.283 21.158 28.329 1.00 0.00 H new ATOM 0 HA ALA A 63 36.230 20.716 30.193 1.00 0.00 H new ATOM 0 HB1 ALA A 63 34.939 18.553 30.542 1.00 0.00 H new ATOM 0 HB2 ALA A 63 33.851 19.953 30.380 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.089 18.847 29.006 1.00 0.00 H new ATOM 1045 N ASN A 64 36.605 18.967 27.452 1.00 0.00 N ATOM 1046 CA ASN A 64 37.529 18.104 26.783 1.00 0.00 C ATOM 1047 C ASN A 64 38.821 18.788 26.494 1.00 0.00 C ATOM 1048 O ASN A 64 39.892 18.184 26.459 1.00 0.00 O ATOM 1049 CB ASN A 64 37.078 17.565 25.415 1.00 0.00 C ATOM 1050 CG ASN A 64 35.623 17.119 25.454 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.229 16.186 26.150 1.00 0.00 O ATOM 1052 ND2 ASN A 64 34.807 17.877 24.673 1.00 0.00 N ATOM 0 H ASN A 64 35.857 19.330 26.861 1.00 0.00 H new ATOM 0 HA ASN A 64 37.612 17.282 27.494 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.204 18.338 24.657 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.711 16.726 25.124 1.00 0.00 H new ATOM 0 HD21 ASN A 64 33.806 17.684 24.643 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.196 18.639 24.118 1.00 0.00 H new ATOM 1059 N LEU A 65 38.766 20.109 26.245 1.00 0.00 N ATOM 1060 CA LEU A 65 39.885 20.938 25.923 1.00 0.00 C ATOM 1061 C LEU A 65 40.790 21.069 27.099 1.00 0.00 C ATOM 1062 O LEU A 65 42.017 21.063 27.013 1.00 0.00 O ATOM 1063 CB LEU A 65 39.453 22.365 25.543 1.00 0.00 C ATOM 1064 CG LEU A 65 38.762 22.506 24.176 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.422 21.755 24.091 1.00 0.00 C ATOM 1066 CD2 LEU A 65 38.480 23.992 23.896 1.00 0.00 C ATOM 0 H LEU A 65 37.888 20.628 26.270 1.00 0.00 H new ATOM 0 HA LEU A 65 40.385 20.460 25.081 1.00 0.00 H new ATOM 0 HB2 LEU A 65 38.777 22.738 26.312 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.334 23.007 25.553 1.00 0.00 H new ATOM 0 HG LEU A 65 39.442 22.072 23.444 1.00 0.00 H new ATOM 0 HD11 LEU A 65 36.988 21.896 23.101 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.589 20.692 24.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 36.738 22.144 24.846 1.00 0.00 H new ATOM 0 HD21 LEU A 65 37.990 24.093 22.927 1.00 0.00 H new ATOM 0 HD22 LEU A 65 37.830 24.392 24.675 1.00 0.00 H new ATOM 0 HD23 LEU A 65 39.419 24.545 23.887 1.00 0.00 H new ATOM 1078 N PHE A 66 40.156 21.191 28.279 1.00 0.00 N ATOM 1079 CA PHE A 66 40.763 21.563 29.518 1.00 0.00 C ATOM 1080 C PHE A 66 41.233 20.356 30.254 1.00 0.00 C ATOM 1081 O PHE A 66 41.796 20.445 31.345 1.00 0.00 O ATOM 1082 CB PHE A 66 39.744 22.305 30.400 1.00 0.00 C ATOM 1083 CG PHE A 66 39.557 23.750 30.089 1.00 0.00 C ATOM 1084 CD1 PHE A 66 39.829 24.326 28.870 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.100 24.555 31.105 1.00 0.00 C ATOM 1086 CE1 PHE A 66 39.714 25.685 28.689 1.00 0.00 C ATOM 1087 CE2 PHE A 66 38.989 25.916 30.947 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.327 26.482 29.740 1.00 0.00 C ATOM 0 H PHE A 66 39.155 21.018 28.372 1.00 0.00 H new ATOM 0 HA PHE A 66 41.612 22.210 29.298 1.00 0.00 H new ATOM 0 HB2 PHE A 66 38.780 21.804 30.310 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.055 22.213 31.440 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.137 23.703 28.043 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.822 24.108 32.048 1.00 0.00 H new ATOM 0 HE1 PHE A 66 39.927 26.124 27.725 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.640 26.534 31.761 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.288 27.554 29.618 1.00 0.00 H new ATOM 1098 N ARG A 67 41.045 19.155 29.679 1.00 0.00 N ATOM 1099 CA ARG A 67 41.196 17.897 30.342 1.00 0.00 C ATOM 1100 C ARG A 67 42.584 17.551 30.759 1.00 0.00 C ATOM 1101 O ARG A 67 43.568 17.684 30.033 1.00 0.00 O ATOM 1102 CB ARG A 67 40.556 16.870 29.393 1.00 0.00 C ATOM 1103 CG ARG A 67 40.635 15.417 29.863 1.00 0.00 C ATOM 1104 CD ARG A 67 39.739 14.477 29.056 1.00 0.00 C ATOM 1105 NE ARG A 67 40.085 13.078 29.437 1.00 0.00 N ATOM 1106 CZ ARG A 67 39.598 11.996 28.764 1.00 0.00 C ATOM 1107 NH1 ARG A 67 38.620 12.132 27.821 1.00 0.00 N ATOM 1108 NH2 ARG A 67 40.092 10.753 29.032 1.00 0.00 N ATOM 0 H ARG A 67 40.774 19.057 28.701 1.00 0.00 H new ATOM 0 HA ARG A 67 40.700 17.922 31.312 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.508 17.133 29.251 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.039 16.948 28.419 1.00 0.00 H new ATOM 0 HG2 ARG A 67 41.667 15.074 29.793 1.00 0.00 H new ATOM 0 HG3 ARG A 67 40.352 15.365 30.914 1.00 0.00 H new ATOM 0 HD2 ARG A 67 38.688 14.680 29.262 1.00 0.00 H new ATOM 0 HD3 ARG A 67 39.889 14.630 27.987 1.00 0.00 H new ATOM 0 HE ARG A 67 40.708 12.924 30.230 1.00 0.00 H new ATOM 0 HH11 ARG A 67 38.241 13.055 27.609 1.00 0.00 H new ATOM 0 HH12 ARG A 67 38.269 11.311 27.328 1.00 0.00 H new ATOM 0 HH21 ARG A 67 40.823 10.635 29.734 1.00 0.00 H new ATOM 0 HH22 ARG A 67 39.730 9.942 28.531 1.00 0.00 H new ATOM 1122 N GLY A 68 42.672 17.132 32.035 1.00 0.00 N ATOM 1123 CA GLY A 68 43.868 17.133 32.820 1.00 0.00 C ATOM 1124 C GLY A 68 43.651 18.042 33.981 1.00 0.00 C ATOM 1125 O GLY A 68 43.672 17.613 35.134 1.00 0.00 O ATOM 0 H GLY A 68 41.865 16.773 32.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 44.101 16.125 33.163 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.716 17.471 32.224 1.00 0.00 H new ATOM 1129 N GLN A 69 43.419 19.337 33.709 1.00 0.00 N ATOM 1130 CA GLN A 69 43.245 20.349 34.706 1.00 0.00 C ATOM 1131 C GLN A 69 41.817 20.671 34.980 1.00 0.00 C ATOM 1132 O GLN A 69 41.163 21.492 34.337 1.00 0.00 O ATOM 1133 CB GLN A 69 44.108 21.589 34.418 1.00 0.00 C ATOM 1134 CG GLN A 69 44.007 22.250 33.041 1.00 0.00 C ATOM 1135 CD GLN A 69 44.981 21.694 32.012 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.200 21.741 32.172 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.450 21.187 30.867 1.00 0.00 N ATOM 0 H GLN A 69 43.350 19.695 32.756 1.00 0.00 H new ATOM 0 HA GLN A 69 43.614 19.928 35.641 1.00 0.00 H new ATOM 0 HB2 GLN A 69 43.863 22.343 35.166 1.00 0.00 H new ATOM 0 HB3 GLN A 69 45.150 21.311 34.576 1.00 0.00 H new ATOM 0 HG2 GLN A 69 42.991 22.130 32.666 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.182 23.320 33.150 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.438 21.153 30.746 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.064 20.841 30.130 1.00 0.00 H new ATOM 1146 N GLU A 70 41.271 20.023 36.024 1.00 0.00 N ATOM 1147 CA GLU A 70 39.908 20.086 36.452 1.00 0.00 C ATOM 1148 C GLU A 70 39.548 21.348 37.158 1.00 0.00 C ATOM 1149 O GLU A 70 38.389 21.758 37.143 1.00 0.00 O ATOM 1150 CB GLU A 70 39.623 18.924 37.418 1.00 0.00 C ATOM 1151 CG GLU A 70 39.495 17.568 36.718 1.00 0.00 C ATOM 1152 CD GLU A 70 39.577 16.437 37.733 1.00 0.00 C ATOM 1153 OE1 GLU A 70 40.693 16.228 38.280 1.00 0.00 O ATOM 1154 OE2 GLU A 70 38.558 15.745 37.996 1.00 0.00 O ATOM 0 H GLU A 70 41.828 19.406 36.615 1.00 0.00 H new ATOM 0 HA GLU A 70 39.311 20.033 35.542 1.00 0.00 H new ATOM 0 HB2 GLU A 70 40.424 18.870 38.155 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.702 19.132 37.963 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.547 17.516 36.182 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.287 17.458 35.977 1.00 0.00 H new ATOM 1161 N ASP A 71 40.521 22.018 37.802 1.00 0.00 N ATOM 1162 CA ASP A 71 40.313 23.180 38.609 1.00 0.00 C ATOM 1163 C ASP A 71 39.688 24.309 37.864 1.00 0.00 C ATOM 1164 O ASP A 71 38.873 25.069 38.385 1.00 0.00 O ATOM 1165 CB ASP A 71 41.625 23.704 39.219 1.00 0.00 C ATOM 1166 CG ASP A 71 42.418 22.628 39.948 1.00 0.00 C ATOM 1167 OD1 ASP A 71 41.861 21.867 40.782 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.649 22.547 39.691 1.00 0.00 O ATOM 0 H ASP A 71 41.500 21.735 37.757 1.00 0.00 H new ATOM 0 HA ASP A 71 39.634 22.845 39.393 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.243 24.128 38.427 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.398 24.513 39.914 1.00 0.00 H new ATOM 1173 N LEU A 72 40.010 24.436 36.564 1.00 0.00 N ATOM 1174 CA LEU A 72 39.472 25.447 35.708 1.00 0.00 C ATOM 1175 C LEU A 72 38.006 25.330 35.471 1.00 0.00 C ATOM 1176 O LEU A 72 37.320 26.349 35.392 1.00 0.00 O ATOM 1177 CB LEU A 72 40.251 25.472 34.382 1.00 0.00 C ATOM 1178 CG LEU A 72 41.771 25.666 34.512 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.415 25.603 33.117 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.178 26.975 35.210 1.00 0.00 C ATOM 0 H LEU A 72 40.667 23.814 36.093 1.00 0.00 H new ATOM 0 HA LEU A 72 39.597 26.396 36.229 1.00 0.00 H new ATOM 0 HB2 LEU A 72 40.065 24.537 33.854 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.852 26.274 33.761 1.00 0.00 H new ATOM 0 HG LEU A 72 42.132 24.858 35.148 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.493 25.740 33.207 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.209 24.633 32.665 1.00 0.00 H new ATOM 0 HD13 LEU A 72 42.000 26.391 32.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.265 27.037 35.262 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.793 27.824 34.645 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.765 26.993 36.218 1.00 0.00 H new ATOM 1192 N LEU A 73 37.414 24.125 35.403 1.00 0.00 N ATOM 1193 CA LEU A 73 36.002 23.957 35.247 1.00 0.00 C ATOM 1194 C LEU A 73 35.253 24.243 36.503 1.00 0.00 C ATOM 1195 O LEU A 73 34.082 24.617 36.501 1.00 0.00 O ATOM 1196 CB LEU A 73 35.571 22.545 34.819 1.00 0.00 C ATOM 1197 CG LEU A 73 35.856 22.164 33.356 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.365 23.224 32.356 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.337 21.795 33.171 1.00 0.00 C ATOM 0 H LEU A 73 37.928 23.246 35.458 1.00 0.00 H new ATOM 0 HA LEU A 73 35.763 24.670 34.458 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.071 21.823 35.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.500 22.444 34.997 1.00 0.00 H new ATOM 0 HG LEU A 73 35.270 21.274 33.126 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.594 22.900 31.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.288 23.353 32.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.865 24.172 32.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.518 21.529 32.130 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.961 22.647 33.441 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.583 20.947 33.811 1.00 0.00 H new ATOM 1211 N SER A 74 35.947 24.110 37.648 1.00 0.00 N ATOM 1212 CA SER A 74 35.448 24.450 38.945 1.00 0.00 C ATOM 1213 C SER A 74 35.221 25.920 39.045 1.00 0.00 C ATOM 1214 O SER A 74 34.171 26.392 39.476 1.00 0.00 O ATOM 1215 CB SER A 74 36.362 23.942 40.073 1.00 0.00 C ATOM 1216 OG SER A 74 35.768 24.049 41.358 1.00 0.00 O ATOM 0 H SER A 74 36.901 23.749 37.670 1.00 0.00 H new ATOM 0 HA SER A 74 34.491 23.944 39.073 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.619 22.900 39.883 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.294 24.508 40.061 1.00 0.00 H new ATOM 0 HG SER A 74 36.391 23.711 42.035 1.00 0.00 H new ATOM 1222 N GLU A 75 36.183 26.713 38.540 1.00 0.00 N ATOM 1223 CA GLU A 75 36.049 28.128 38.393 1.00 0.00 C ATOM 1224 C GLU A 75 35.097 28.562 37.332 1.00 0.00 C ATOM 1225 O GLU A 75 34.464 29.611 37.449 1.00 0.00 O ATOM 1226 CB GLU A 75 37.418 28.789 38.156 1.00 0.00 C ATOM 1227 CG GLU A 75 38.386 28.564 39.320 1.00 0.00 C ATOM 1228 CD GLU A 75 39.544 29.551 39.307 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.277 30.770 39.133 1.00 0.00 O ATOM 1230 OE2 GLU A 75 40.705 29.160 39.603 1.00 0.00 O ATOM 0 H GLU A 75 37.085 26.356 38.223 1.00 0.00 H new ATOM 0 HA GLU A 75 35.622 28.462 39.339 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.856 28.391 37.241 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.280 29.859 38.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.845 28.654 40.262 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.777 27.548 39.273 1.00 0.00 H new ATOM 1237 N PHE A 76 34.891 27.745 36.284 1.00 0.00 N ATOM 1238 CA PHE A 76 33.926 27.976 35.254 1.00 0.00 C ATOM 1239 C PHE A 76 32.532 27.956 35.778 1.00 0.00 C ATOM 1240 O PHE A 76 31.633 28.615 35.258 1.00 0.00 O ATOM 1241 CB PHE A 76 34.117 26.919 34.154 1.00 0.00 C ATOM 1242 CG PHE A 76 33.486 27.215 32.836 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.164 27.899 31.855 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.259 26.669 32.540 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.650 27.993 30.583 1.00 0.00 C ATOM 1246 CE2 PHE A 76 31.750 26.733 31.264 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.460 27.376 30.278 1.00 0.00 C ATOM 0 H PHE A 76 35.421 26.884 36.148 1.00 0.00 H new ATOM 0 HA PHE A 76 34.084 28.973 34.842 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.186 26.778 33.997 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.720 25.971 34.518 1.00 0.00 H new ATOM 0 HD1 PHE A 76 35.110 28.367 32.086 1.00 0.00 H new ATOM 0 HD2 PHE A 76 31.689 26.184 33.319 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.180 28.550 29.825 1.00 0.00 H new ATOM 0 HE2 PHE A 76 30.796 26.280 31.037 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.084 27.396 29.266 1.00 0.00 H new ATOM 1257 N GLY A 77 32.305 27.262 36.908 1.00 0.00 N ATOM 1258 CA GLY A 77 31.053 27.160 37.590 1.00 0.00 C ATOM 1259 C GLY A 77 30.566 28.438 38.183 1.00 0.00 C ATOM 1260 O GLY A 77 29.383 28.613 38.470 1.00 0.00 O ATOM 0 H GLY A 77 33.046 26.738 37.375 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.303 26.789 36.892 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.145 26.418 38.383 1.00 0.00 H new ATOM 1264 N GLN A 78 31.471 29.415 38.369 1.00 0.00 N ATOM 1265 CA GLN A 78 31.166 30.717 38.877 1.00 0.00 C ATOM 1266 C GLN A 78 30.500 31.581 37.863 1.00 0.00 C ATOM 1267 O GLN A 78 29.780 32.518 38.205 1.00 0.00 O ATOM 1268 CB GLN A 78 32.447 31.391 39.394 1.00 0.00 C ATOM 1269 CG GLN A 78 33.157 30.482 40.400 1.00 0.00 C ATOM 1270 CD GLN A 78 34.344 31.153 41.075 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.342 31.370 42.287 1.00 0.00 O ATOM 1272 NE2 GLN A 78 35.396 31.490 40.283 1.00 0.00 N ATOM 0 H GLN A 78 32.461 29.292 38.156 1.00 0.00 H new ATOM 0 HA GLN A 78 30.462 30.590 39.699 1.00 0.00 H new ATOM 0 HB2 GLN A 78 33.113 31.611 38.559 1.00 0.00 H new ATOM 0 HB3 GLN A 78 32.201 32.343 39.864 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.444 30.166 41.162 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.498 29.581 39.890 1.00 0.00 H new ATOM 0 HE21 GLN A 78 35.364 31.295 39.282 1.00 0.00 H new ATOM 0 HE22 GLN A 78 36.218 31.937 40.689 1.00 0.00 H new ATOM 1466 N ASN B 201 28.811 36.000 33.874 1.00 0.00 N ATOM 1467 CA ASN B 201 28.305 34.994 32.993 1.00 0.00 C ATOM 1468 C ASN B 201 29.316 34.774 31.920 1.00 0.00 C ATOM 1469 O ASN B 201 30.302 35.502 31.818 1.00 0.00 O ATOM 1470 CB ASN B 201 26.979 35.425 32.342 1.00 0.00 C ATOM 1471 CG ASN B 201 25.806 35.385 33.311 1.00 0.00 C ATOM 1472 OD1 ASN B 201 25.153 36.395 33.570 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.435 34.155 33.756 1.00 0.00 N ATOM 0 HA ASN B 201 28.120 34.085 33.566 1.00 0.00 H new ATOM 0 HB2 ASN B 201 27.085 36.436 31.948 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.767 34.773 31.495 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.593 34.050 34.322 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.999 33.337 33.524 1.00 0.00 H new ATOM 1480 N ILE B 202 29.098 33.760 31.064 1.00 0.00 N ATOM 1481 CA ILE B 202 29.962 33.307 30.017 1.00 0.00 C ATOM 1482 C ILE B 202 30.428 34.354 29.066 1.00 0.00 C ATOM 1483 O ILE B 202 31.575 34.323 28.625 1.00 0.00 O ATOM 1484 CB ILE B 202 29.351 32.118 29.337 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.519 30.847 30.185 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.789 31.924 27.876 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.927 30.271 30.328 1.00 0.00 C ATOM 0 H ILE B 202 28.241 33.209 31.110 1.00 0.00 H new ATOM 0 HA ILE B 202 30.893 33.005 30.497 1.00 0.00 H new ATOM 0 HB ILE B 202 28.285 32.331 29.264 1.00 0.00 H new ATOM 0 HG12 ILE B 202 29.140 31.058 31.185 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.881 30.073 29.759 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.299 31.042 27.463 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.509 32.801 27.293 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.870 31.791 27.835 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.893 29.378 30.952 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.316 30.012 29.343 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.578 31.012 30.791 1.00 0.00 H new ATOM 1499 N GLN B 203 29.609 35.375 28.755 1.00 0.00 N ATOM 1500 CA GLN B 203 29.983 36.504 27.961 1.00 0.00 C ATOM 1501 C GLN B 203 31.246 37.191 28.351 1.00 0.00 C ATOM 1502 O GLN B 203 32.046 37.595 27.508 1.00 0.00 O ATOM 1503 CB GLN B 203 28.848 37.541 27.904 1.00 0.00 C ATOM 1504 CG GLN B 203 28.495 38.190 29.244 1.00 0.00 C ATOM 1505 CD GLN B 203 27.303 39.136 29.228 1.00 0.00 C ATOM 1506 OE1 GLN B 203 26.846 39.560 30.288 1.00 0.00 O ATOM 1507 NE2 GLN B 203 26.781 39.503 28.028 1.00 0.00 N ATOM 0 H GLN B 203 28.640 35.415 29.072 1.00 0.00 H new ATOM 0 HA GLN B 203 30.174 36.069 26.980 1.00 0.00 H new ATOM 0 HB2 GLN B 203 29.128 38.325 27.201 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.956 37.059 27.505 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.298 37.400 29.968 1.00 0.00 H new ATOM 0 HG3 GLN B 203 29.366 38.739 29.601 1.00 0.00 H new ATOM 0 HE21 GLN B 203 27.180 39.136 27.164 1.00 0.00 H new ATOM 0 HE22 GLN B 203 25.990 40.146 27.991 1.00 0.00 H new ATOM 1516 N MET B 204 31.507 37.319 29.664 1.00 0.00 N ATOM 1517 CA MET B 204 32.592 38.060 30.228 1.00 0.00 C ATOM 1518 C MET B 204 33.932 37.452 29.990 1.00 0.00 C ATOM 1519 O MET B 204 34.949 38.142 29.952 1.00 0.00 O ATOM 1520 CB MET B 204 32.290 38.254 31.723 1.00 0.00 C ATOM 1521 CG MET B 204 32.829 39.579 32.265 1.00 0.00 C ATOM 1522 SD MET B 204 32.066 40.132 33.819 1.00 0.00 S ATOM 1523 CE MET B 204 32.602 38.719 34.825 1.00 0.00 C ATOM 0 H MET B 204 30.924 36.878 30.375 1.00 0.00 H new ATOM 0 HA MET B 204 32.660 39.024 29.724 1.00 0.00 H new ATOM 0 HB2 MET B 204 31.212 38.213 31.880 1.00 0.00 H new ATOM 0 HB3 MET B 204 32.726 37.430 32.288 1.00 0.00 H new ATOM 0 HG2 MET B 204 33.904 39.483 32.418 1.00 0.00 H new ATOM 0 HG3 MET B 204 32.683 40.351 31.510 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.256 38.850 35.850 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.182 37.800 34.415 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.690 38.657 34.815 1.00 0.00 H new ATOM 1533 N LEU B 205 33.988 36.135 29.719 1.00 0.00 N ATOM 1534 CA LEU B 205 35.165 35.453 29.279 1.00 0.00 C ATOM 1535 C LEU B 205 35.683 35.923 27.963 1.00 0.00 C ATOM 1536 O LEU B 205 36.889 35.975 27.729 1.00 0.00 O ATOM 1537 CB LEU B 205 34.967 33.930 29.215 1.00 0.00 C ATOM 1538 CG LEU B 205 34.998 33.203 30.570 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.656 31.715 30.392 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.376 33.358 31.235 1.00 0.00 C ATOM 0 H LEU B 205 33.179 35.520 29.811 1.00 0.00 H new ATOM 0 HA LEU B 205 35.909 35.697 30.038 1.00 0.00 H new ATOM 0 HB2 LEU B 205 34.011 33.725 28.734 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.742 33.506 28.577 1.00 0.00 H new ATOM 0 HG LEU B 205 34.248 33.656 31.218 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.683 31.217 31.361 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.659 31.620 29.963 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.384 31.252 29.726 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.379 32.837 32.192 1.00 0.00 H new ATOM 0 HD22 LEU B 205 37.142 32.932 30.588 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.585 34.415 31.397 1.00 0.00 H new ATOM 1552 N LEU B 206 34.757 36.276 27.055 1.00 0.00 N ATOM 1553 CA LEU B 206 35.070 36.627 25.704 1.00 0.00 C ATOM 1554 C LEU B 206 35.500 38.053 25.647 1.00 0.00 C ATOM 1555 O LEU B 206 36.225 38.487 24.752 1.00 0.00 O ATOM 1556 CB LEU B 206 33.862 36.230 24.839 1.00 0.00 C ATOM 1557 CG LEU B 206 33.378 34.811 25.181 1.00 0.00 C ATOM 1558 CD1 LEU B 206 32.270 34.314 24.238 1.00 0.00 C ATOM 1559 CD2 LEU B 206 34.566 33.837 25.262 1.00 0.00 C ATOM 0 H LEU B 206 33.760 36.319 27.266 1.00 0.00 H new ATOM 0 HA LEU B 206 35.923 36.087 25.294 1.00 0.00 H new ATOM 0 HB2 LEU B 206 33.051 36.941 24.994 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.134 36.281 23.785 1.00 0.00 H new ATOM 0 HG LEU B 206 32.916 34.853 26.168 1.00 0.00 H new ATOM 0 HD11 LEU B 206 31.969 33.307 24.529 1.00 0.00 H new ATOM 0 HD12 LEU B 206 31.411 34.982 24.302 1.00 0.00 H new ATOM 0 HD13 LEU B 206 32.643 34.300 23.214 1.00 0.00 H new ATOM 0 HD21 LEU B 206 34.202 32.839 25.505 1.00 0.00 H new ATOM 0 HD22 LEU B 206 35.082 33.812 24.302 1.00 0.00 H new ATOM 0 HD23 LEU B 206 35.257 34.170 26.036 1.00 0.00 H new ATOM 1571 N GLU B 207 35.110 38.804 26.692 1.00 0.00 N ATOM 1572 CA GLU B 207 35.478 40.172 26.888 1.00 0.00 C ATOM 1573 C GLU B 207 36.833 40.261 27.501 1.00 0.00 C ATOM 1574 O GLU B 207 37.698 40.997 27.030 1.00 0.00 O ATOM 1575 CB GLU B 207 34.456 40.896 27.781 1.00 0.00 C ATOM 1576 CG GLU B 207 33.041 40.953 27.201 1.00 0.00 C ATOM 1577 CD GLU B 207 32.935 41.899 26.014 1.00 0.00 C ATOM 1578 OE1 GLU B 207 33.336 41.536 24.877 1.00 0.00 O ATOM 1579 OE2 GLU B 207 32.444 43.043 26.209 1.00 0.00 O ATOM 0 H GLU B 207 34.511 38.441 27.434 1.00 0.00 H new ATOM 0 HA GLU B 207 35.492 40.658 25.913 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.419 40.397 28.749 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.804 41.913 27.960 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.738 39.953 26.892 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.346 41.271 27.978 1.00 0.00 H new ATOM 1586 N ALA B 208 37.068 39.466 28.560 1.00 0.00 N ATOM 1587 CA ALA B 208 38.324 39.306 29.225 1.00 0.00 C ATOM 1588 C ALA B 208 39.410 38.809 28.334 1.00 0.00 C ATOM 1589 O ALA B 208 40.529 39.318 28.378 1.00 0.00 O ATOM 1590 CB ALA B 208 38.161 38.366 30.431 1.00 0.00 C ATOM 0 H ALA B 208 36.332 38.898 28.979 1.00 0.00 H new ATOM 0 HA ALA B 208 38.628 40.299 29.557 1.00 0.00 H new ATOM 0 HB1 ALA B 208 39.121 38.248 30.933 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.437 38.789 31.127 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.809 37.393 30.089 1.00 0.00 H new ATOM 1596 N ALA B 209 39.119 37.833 27.454 1.00 0.00 N ATOM 1597 CA ALA B 209 40.048 37.307 26.505 1.00 0.00 C ATOM 1598 C ALA B 209 40.569 38.298 25.521 1.00 0.00 C ATOM 1599 O ALA B 209 41.769 38.335 25.255 1.00 0.00 O ATOM 1600 CB ALA B 209 39.402 36.131 25.753 1.00 0.00 C ATOM 0 H ALA B 209 38.200 37.394 27.403 1.00 0.00 H new ATOM 0 HA ALA B 209 40.912 36.985 27.086 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.110 35.729 25.029 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.128 35.351 26.464 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.509 36.478 25.233 1.00 0.00 H new ATOM 1606 N ASP B 210 39.709 39.156 24.945 1.00 0.00 N ATOM 1607 CA ASP B 210 40.121 40.184 24.041 1.00 0.00 C ATOM 1608 C ASP B 210 40.805 41.313 24.732 1.00 0.00 C ATOM 1609 O ASP B 210 41.813 41.831 24.252 1.00 0.00 O ATOM 1610 CB ASP B 210 38.918 40.669 23.214 1.00 0.00 C ATOM 1611 CG ASP B 210 38.668 39.785 22.001 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.514 38.910 21.676 1.00 0.00 O ATOM 1613 OD2 ASP B 210 37.644 40.000 21.299 1.00 0.00 O ATOM 0 H ASP B 210 38.703 39.135 25.112 1.00 0.00 H new ATOM 0 HA ASP B 210 40.861 39.756 23.365 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.028 40.683 23.843 1.00 0.00 H new ATOM 0 HB3 ASP B 210 39.093 41.694 22.886 1.00 0.00 H new ATOM 1618 N TYR B 211 40.333 41.707 25.928 1.00 0.00 N ATOM 1619 CA TYR B 211 40.954 42.650 26.806 1.00 0.00 C ATOM 1620 C TYR B 211 42.359 42.300 27.158 1.00 0.00 C ATOM 1621 O TYR B 211 43.252 43.145 27.119 1.00 0.00 O ATOM 1622 CB TYR B 211 40.061 42.780 28.050 1.00 0.00 C ATOM 1623 CG TYR B 211 40.650 43.510 29.207 1.00 0.00 C ATOM 1624 CD1 TYR B 211 40.546 44.877 29.318 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.317 42.802 30.180 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.097 45.533 30.393 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.855 43.451 31.267 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.747 44.817 31.371 1.00 0.00 C ATOM 1629 OH TYR B 211 42.332 45.507 32.455 1.00 0.00 O ATOM 0 H TYR B 211 39.459 41.342 26.306 1.00 0.00 H new ATOM 0 HA TYR B 211 41.040 43.609 26.295 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.139 43.284 27.759 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.786 41.779 28.381 1.00 0.00 H new ATOM 0 HD1 TYR B 211 40.028 45.439 28.555 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.419 41.731 30.090 1.00 0.00 H new ATOM 0 HE1 TYR B 211 41.020 46.608 30.469 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.361 42.888 32.037 1.00 0.00 H new ATOM 0 HH TYR B 211 42.753 44.864 33.063 1.00 0.00 H new ATOM 1639 N LEU B 212 42.630 41.032 27.516 1.00 0.00 N ATOM 1640 CA LEU B 212 43.935 40.569 27.876 1.00 0.00 C ATOM 1641 C LEU B 212 44.871 40.475 26.721 1.00 0.00 C ATOM 1642 O LEU B 212 46.058 40.765 26.860 1.00 0.00 O ATOM 1643 CB LEU B 212 43.841 39.232 28.630 1.00 0.00 C ATOM 1644 CG LEU B 212 43.901 39.369 30.161 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.440 38.040 30.783 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.292 39.762 30.686 1.00 0.00 C ATOM 0 H LEU B 212 41.917 40.304 27.556 1.00 0.00 H new ATOM 0 HA LEU B 212 44.361 41.322 28.539 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.909 38.738 28.356 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.654 38.584 28.302 1.00 0.00 H new ATOM 0 HG LEU B 212 43.239 40.185 30.453 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.475 38.115 31.870 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.419 37.825 30.467 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.099 37.236 30.454 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.262 39.841 31.773 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.018 39.002 30.397 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.584 40.722 30.261 1.00 0.00 H new ATOM 1658 N GLU B 213 44.387 40.156 25.508 1.00 0.00 N ATOM 1659 CA GLU B 213 45.148 40.247 24.301 1.00 0.00 C ATOM 1660 C GLU B 213 45.616 41.630 24.003 1.00 0.00 C ATOM 1661 O GLU B 213 46.711 41.837 23.483 1.00 0.00 O ATOM 1662 CB GLU B 213 44.355 39.686 23.109 1.00 0.00 C ATOM 1663 CG GLU B 213 44.251 38.159 23.105 1.00 0.00 C ATOM 1664 CD GLU B 213 45.475 37.493 22.492 1.00 0.00 C ATOM 1665 OE1 GLU B 213 46.466 37.217 23.218 1.00 0.00 O ATOM 1666 OE2 GLU B 213 45.461 37.255 21.254 1.00 0.00 O ATOM 0 H GLU B 213 43.434 39.823 25.362 1.00 0.00 H new ATOM 0 HA GLU B 213 46.039 39.640 24.460 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.351 40.110 23.120 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.829 40.012 22.183 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.122 37.804 24.128 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.362 37.860 22.549 1.00 0.00 H new ATOM 1673 N ARG B 214 44.818 42.653 24.359 1.00 0.00 N ATOM 1674 CA ARG B 214 45.178 44.037 24.296 1.00 0.00 C ATOM 1675 C ARG B 214 46.100 44.485 25.377 1.00 0.00 C ATOM 1676 O ARG B 214 46.920 45.377 25.163 1.00 0.00 O ATOM 1677 CB ARG B 214 43.922 44.921 24.222 1.00 0.00 C ATOM 1678 CG ARG B 214 43.196 44.731 22.888 1.00 0.00 C ATOM 1679 CD ARG B 214 42.019 45.676 22.637 1.00 0.00 C ATOM 1680 NE ARG B 214 40.762 45.096 23.186 1.00 0.00 N ATOM 1681 CZ ARG B 214 39.875 44.393 22.422 1.00 0.00 C ATOM 1682 NH1 ARG B 214 40.250 43.715 21.297 1.00 0.00 N ATOM 1683 NH2 ARG B 214 38.556 44.400 22.771 1.00 0.00 N ATOM 0 H ARG B 214 43.871 42.507 24.709 1.00 0.00 H new ATOM 0 HA ARG B 214 45.751 44.153 23.376 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.250 44.674 25.044 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.202 45.968 24.342 1.00 0.00 H new ATOM 0 HG2 ARG B 214 43.918 44.856 22.081 1.00 0.00 H new ATOM 0 HG3 ARG B 214 42.833 43.705 22.835 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.215 46.642 23.102 1.00 0.00 H new ATOM 0 HD3 ARG B 214 41.908 45.853 21.567 1.00 0.00 H new ATOM 0 HE ARG B 214 40.555 45.230 24.176 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.225 43.722 20.999 1.00 0.00 H new ATOM 0 HH12 ARG B 214 39.555 43.202 20.755 1.00 0.00 H new ATOM 0 HH21 ARG B 214 38.248 44.924 23.590 1.00 0.00 H new ATOM 0 HH22 ARG B 214 37.878 43.881 22.213 1.00 0.00 H new ATOM 1697 N ARG B 215 46.068 43.867 26.571 1.00 0.00 N ATOM 1698 CA ARG B 215 47.003 44.105 27.627 1.00 0.00 C ATOM 1699 C ARG B 215 48.404 43.717 27.297 1.00 0.00 C ATOM 1700 O ARG B 215 49.371 44.283 27.802 1.00 0.00 O ATOM 1701 CB ARG B 215 46.636 43.384 28.935 1.00 0.00 C ATOM 1702 CG ARG B 215 45.553 44.117 29.727 1.00 0.00 C ATOM 1703 CD ARG B 215 45.644 44.012 31.251 1.00 0.00 C ATOM 1704 NE ARG B 215 47.012 44.364 31.724 1.00 0.00 N ATOM 1705 CZ ARG B 215 47.656 45.555 31.545 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.048 46.680 31.068 1.00 0.00 N ATOM 1707 NH2 ARG B 215 48.985 45.617 31.848 1.00 0.00 N ATOM 0 H ARG B 215 45.361 43.172 26.811 1.00 0.00 H new ATOM 0 HA ARG B 215 46.946 45.185 27.759 1.00 0.00 H new ATOM 0 HB2 ARG B 215 46.293 42.375 28.705 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.528 43.284 29.553 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.583 45.172 29.454 1.00 0.00 H new ATOM 0 HG3 ARG B 215 44.581 43.734 29.414 1.00 0.00 H new ATOM 0 HD2 ARG B 215 44.913 44.677 31.710 1.00 0.00 H new ATOM 0 HD3 ARG B 215 45.395 42.999 31.566 1.00 0.00 H new ATOM 0 HE ARG B 215 47.520 43.641 32.234 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.058 46.660 30.823 1.00 0.00 H new ATOM 0 HH12 ARG B 215 47.584 47.541 30.956 1.00 0.00 H new ATOM 0 HH21 ARG B 215 49.468 44.789 32.197 1.00 0.00 H new ATOM 0 HH22 ARG B 215 49.496 46.491 31.726 1.00 0.00 H new