USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 660 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 38 THR OG1 : rot -76:sc= 0.941 USER MOD Set 1.2: A 71 MET CE :methyl 153:sc= -0.112 (180deg=-2.32!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00885) USER MOD Single : A 18 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.091) USER MOD Single : A 21 TYR OH : rot -4:sc= -0.129 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0.00291 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -165:sc= -0.0461 (180deg=-0.354) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -1.74 K(o=-1.7,f=-3) USER MOD ----------------------------------------------------------------- ATOM 59 N VAL A 6 11.838 -9.821 3.181 1.00 42.23 N ATOM 60 CA VAL A 6 12.361 -10.983 2.462 1.00 64.21 C ATOM 61 C VAL A 6 12.816 -10.616 1.048 1.00 41.01 C ATOM 62 O VAL A 6 12.677 -9.468 0.615 1.00 75.33 O ATOM 63 CB VAL A 6 11.312 -12.118 2.370 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.047 -12.732 3.743 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.015 -11.606 1.745 1.00 11.52 C ATOM 0 HA VAL A 6 13.220 -11.333 3.035 1.00 64.21 H new ATOM 0 HB VAL A 6 11.716 -12.899 1.726 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.307 -13.526 3.650 1.00 60.22 H new ATOM 0 HG12 VAL A 6 11.974 -13.145 4.142 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.671 -11.964 4.419 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.292 -12.420 1.690 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.609 -10.801 2.357 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.218 -11.232 0.741 1.00 11.52 H new ATOM 75 N ASN A 7 13.371 -11.605 0.342 1.00 53.22 N ATOM 76 CA ASN A 7 13.816 -11.433 -1.044 1.00 71.21 C ATOM 77 C ASN A 7 12.645 -11.131 -1.969 1.00 44.52 C ATOM 78 O ASN A 7 11.488 -11.344 -1.607 1.00 33.22 O ATOM 79 CB ASN A 7 14.550 -12.692 -1.536 1.00 54.12 C ATOM 80 CG ASN A 7 16.061 -12.583 -1.400 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.736 -12.064 -2.287 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.601 -13.080 -0.298 1.00 52.12 N ATOM 0 H ASN A 7 13.524 -12.543 0.713 1.00 53.22 H new ATOM 0 HA ASN A 7 14.501 -10.585 -1.065 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.200 -13.556 -0.970 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.296 -12.871 -2.581 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.611 -13.040 -0.162 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.007 -13.503 0.415 1.00 52.12 H new ATOM 89 N ALA A 8 12.965 -10.672 -3.177 1.00 60.32 N ATOM 90 CA ALA A 8 11.962 -10.284 -4.169 1.00 3.34 C ATOM 91 C ALA A 8 10.934 -11.391 -4.401 1.00 60.24 C ATOM 92 O ALA A 8 9.739 -11.178 -4.195 1.00 14.22 O ATOM 93 CB ALA A 8 12.644 -9.899 -5.474 1.00 31.02 C ATOM 0 H ALA A 8 13.927 -10.558 -3.497 1.00 60.32 H new ATOM 0 HA ALA A 8 11.422 -9.421 -3.781 1.00 3.34 H new ATOM 0 HB1 ALA A 8 11.891 -9.611 -6.207 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.318 -9.061 -5.299 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.212 -10.749 -5.852 1.00 31.02 H new ATOM 99 N PHE A 9 11.395 -12.571 -4.827 1.00 32.01 N ATOM 100 CA PHE A 9 10.497 -13.701 -5.057 1.00 51.44 C ATOM 101 C PHE A 9 9.593 -13.957 -3.851 1.00 64.40 C ATOM 102 O PHE A 9 8.385 -14.131 -3.995 1.00 61.22 O ATOM 103 CB PHE A 9 11.294 -14.972 -5.367 1.00 13.33 C ATOM 104 CG PHE A 9 10.420 -16.141 -5.744 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.865 -16.207 -7.010 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.140 -17.157 -4.839 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.045 -17.261 -7.370 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.324 -18.216 -5.196 1.00 44.20 C ATOM 109 CZ PHE A 9 8.777 -18.269 -6.463 1.00 62.30 C ATOM 0 H PHE A 9 12.378 -12.766 -5.018 1.00 32.01 H new ATOM 0 HA PHE A 9 9.872 -13.443 -5.912 1.00 51.44 H new ATOM 0 HB2 PHE A 9 11.989 -14.768 -6.182 1.00 13.33 H new ATOM 0 HB3 PHE A 9 11.893 -15.240 -4.496 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.075 -15.426 -7.726 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.564 -17.120 -3.846 1.00 60.44 H new ATOM 0 HE1 PHE A 9 8.614 -17.296 -8.360 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.115 -19.001 -4.484 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.142 -19.096 -6.744 1.00 62.30 H new ATOM 119 N LEU A 10 10.189 -13.956 -2.666 1.00 11.31 N ATOM 120 CA LEU A 10 9.471 -14.280 -1.440 1.00 65.43 C ATOM 121 C LEU A 10 8.394 -13.236 -1.148 1.00 12.34 C ATOM 122 O LEU A 10 7.264 -13.578 -0.797 1.00 22.41 O ATOM 123 CB LEU A 10 10.452 -14.399 -0.262 1.00 53.03 C ATOM 124 CG LEU A 10 11.360 -15.645 -0.276 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.515 -16.914 -0.286 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.319 -15.629 -1.466 1.00 5.43 C ATOM 0 H LEU A 10 11.175 -13.733 -2.527 1.00 11.31 H new ATOM 0 HA LEU A 10 8.976 -15.242 -1.575 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.084 -13.511 -0.247 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.880 -14.399 0.666 1.00 53.03 H new ATOM 0 HG LEU A 10 11.963 -15.629 0.632 1.00 71.33 H new ATOM 0 HD11 LEU A 10 11.169 -17.786 -0.296 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.888 -16.941 0.605 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.884 -16.924 -1.174 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.943 -16.523 -1.443 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.747 -15.610 -2.394 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.952 -14.743 -1.411 1.00 5.43 H new ATOM 138 N ALA A 11 8.746 -11.965 -1.312 1.00 51.23 N ATOM 139 CA ALA A 11 7.796 -10.872 -1.135 1.00 43.20 C ATOM 140 C ALA A 11 6.663 -11.000 -2.147 1.00 60.02 C ATOM 141 O ALA A 11 5.495 -10.736 -1.839 1.00 21.33 O ATOM 142 CB ALA A 11 8.501 -9.527 -1.279 1.00 15.33 C ATOM 0 H ALA A 11 9.687 -11.665 -1.568 1.00 51.23 H new ATOM 0 HA ALA A 11 7.374 -10.927 -0.132 1.00 43.20 H new ATOM 0 HB1 ALA A 11 7.779 -8.722 -1.144 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.283 -9.443 -0.524 1.00 15.33 H new ATOM 0 HB3 ALA A 11 8.946 -9.454 -2.272 1.00 15.33 H new ATOM 148 N LYS A 12 7.027 -11.426 -3.353 1.00 75.22 N ATOM 149 CA LYS A 12 6.067 -11.645 -4.427 1.00 3.03 C ATOM 150 C LYS A 12 5.075 -12.738 -4.032 1.00 75.15 C ATOM 151 O LYS A 12 3.875 -12.609 -4.262 1.00 72.25 O ATOM 152 CB LYS A 12 6.802 -12.037 -5.719 1.00 62.31 C ATOM 153 CG LYS A 12 5.904 -12.130 -6.951 1.00 64.45 C ATOM 154 CD LYS A 12 6.636 -12.721 -8.158 1.00 25.11 C ATOM 155 CE LYS A 12 7.897 -11.939 -8.520 1.00 55.23 C ATOM 156 NZ LYS A 12 7.598 -10.535 -8.912 1.00 30.21 N ATOM 0 H LYS A 12 7.993 -11.628 -3.611 1.00 75.22 H new ATOM 0 HA LYS A 12 5.517 -10.720 -4.602 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.588 -11.307 -5.911 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.291 -12.999 -5.567 1.00 62.31 H new ATOM 0 HG2 LYS A 12 5.035 -12.745 -6.719 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.533 -11.137 -7.204 1.00 64.45 H new ATOM 0 HD2 LYS A 12 6.903 -13.756 -7.945 1.00 25.11 H new ATOM 0 HD3 LYS A 12 5.963 -12.735 -9.015 1.00 25.11 H new ATOM 0 HE2 LYS A 12 8.579 -11.939 -7.669 1.00 55.23 H new ATOM 0 HE3 LYS A 12 8.410 -12.441 -9.340 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 8.480 -10.054 -9.181 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 6.942 -10.532 -9.719 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 7.163 -10.036 -8.110 1.00 30.21 H new ATOM 170 N ILE A 13 5.590 -13.805 -3.416 1.00 44.14 N ATOM 171 CA ILE A 13 4.756 -14.919 -2.969 1.00 31.13 C ATOM 172 C ILE A 13 3.812 -14.477 -1.855 1.00 54.15 C ATOM 173 O ILE A 13 2.611 -14.740 -1.909 1.00 11.24 O ATOM 174 CB ILE A 13 5.614 -16.112 -2.468 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.509 -16.649 -3.595 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.728 -17.228 -1.909 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.738 -17.206 -4.771 1.00 1.42 C ATOM 0 H ILE A 13 6.584 -13.919 -3.216 1.00 44.14 H new ATOM 0 HA ILE A 13 4.174 -15.246 -3.831 1.00 31.13 H new ATOM 0 HB ILE A 13 6.253 -15.750 -1.663 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.158 -15.846 -3.945 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.155 -17.429 -3.193 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.354 -18.052 -1.565 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.142 -16.844 -1.074 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.056 -17.585 -2.690 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.436 -17.566 -5.526 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.109 -18.031 -4.436 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.112 -16.423 -5.199 1.00 1.42 H new ATOM 189 N ALA A 14 4.364 -13.802 -0.847 1.00 10.43 N ATOM 190 CA ALA A 14 3.576 -13.295 0.271 1.00 65.03 C ATOM 191 C ALA A 14 2.449 -12.389 -0.230 1.00 45.24 C ATOM 192 O ALA A 14 1.320 -12.455 0.260 1.00 22.51 O ATOM 193 CB ALA A 14 4.474 -12.548 1.252 1.00 21.21 C ATOM 0 H ALA A 14 5.361 -13.594 -0.784 1.00 10.43 H new ATOM 0 HA ALA A 14 3.124 -14.140 0.790 1.00 65.03 H new ATOM 0 HB1 ALA A 14 3.874 -12.174 2.082 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.239 -13.225 1.633 1.00 21.21 H new ATOM 0 HB3 ALA A 14 4.951 -11.710 0.743 1.00 21.21 H new ATOM 199 N ALA A 15 2.765 -11.555 -1.222 1.00 74.24 N ATOM 200 CA ALA A 15 1.783 -10.643 -1.808 1.00 32.11 C ATOM 201 C ALA A 15 0.742 -11.415 -2.622 1.00 51.43 C ATOM 202 O ALA A 15 -0.455 -11.166 -2.508 1.00 74.42 O ATOM 203 CB ALA A 15 2.480 -9.601 -2.677 1.00 53.00 C ATOM 0 H ALA A 15 3.695 -11.493 -1.637 1.00 74.24 H new ATOM 0 HA ALA A 15 1.265 -10.129 -0.998 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.737 -8.929 -3.106 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.178 -9.027 -2.068 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.024 -10.101 -3.479 1.00 53.00 H new ATOM 209 N TRP A 16 1.219 -12.354 -3.435 1.00 42.31 N ATOM 210 CA TRP A 16 0.360 -13.201 -4.269 1.00 14.44 C ATOM 211 C TRP A 16 -0.659 -13.951 -3.410 1.00 61.31 C ATOM 212 O TRP A 16 -1.857 -13.965 -3.708 1.00 4.24 O ATOM 213 CB TRP A 16 1.252 -14.169 -5.074 1.00 24.40 C ATOM 214 CG TRP A 16 0.594 -15.447 -5.515 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.374 -15.602 -6.466 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.895 -16.760 -5.030 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.700 -16.932 -6.593 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.067 -17.666 -5.720 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.784 -17.256 -4.075 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.108 -19.038 -5.480 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.824 -18.617 -3.838 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.991 -19.496 -4.538 1.00 12.14 C ATOM 0 H TRP A 16 2.214 -12.552 -3.537 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.209 -12.584 -4.965 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.618 -13.647 -5.958 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.123 -14.420 -4.468 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.818 -14.798 -7.035 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.398 -17.312 -7.232 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.431 -16.586 -3.529 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.535 -19.718 -6.019 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.509 -19.008 -3.101 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.045 -20.555 -4.332 1.00 12.14 H new ATOM 233 N LEU A 17 -0.175 -14.556 -2.334 1.00 61.21 N ATOM 234 CA LEU A 17 -1.026 -15.295 -1.413 1.00 62.45 C ATOM 235 C LEU A 17 -1.993 -14.372 -0.683 1.00 2.03 C ATOM 236 O LEU A 17 -3.200 -14.624 -0.653 1.00 1.20 O ATOM 237 CB LEU A 17 -0.169 -16.081 -0.410 1.00 54.03 C ATOM 238 CG LEU A 17 0.041 -17.557 -0.769 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.083 -18.204 0.138 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.291 -18.299 -0.691 1.00 20.20 C ATOM 0 H LEU A 17 0.812 -14.549 -2.076 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.620 -15.998 -1.997 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.805 -15.599 -0.328 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.638 -16.023 0.572 1.00 54.03 H new ATOM 0 HG LEU A 17 0.419 -17.618 -1.789 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.209 -19.250 -0.141 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.034 -17.682 0.030 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.751 -18.143 1.175 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.139 -19.348 -0.947 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.689 -18.226 0.321 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -1.997 -17.854 -1.392 1.00 20.20 H new ATOM 252 N ASN A 18 -1.463 -13.299 -0.102 1.00 65.13 N ATOM 253 CA ASN A 18 -2.271 -12.388 0.705 1.00 45.11 C ATOM 254 C ASN A 18 -3.302 -11.663 -0.162 1.00 52.24 C ATOM 255 O ASN A 18 -4.376 -11.297 0.314 1.00 12.31 O ATOM 256 CB ASN A 18 -1.375 -11.379 1.445 1.00 44.01 C ATOM 257 CG ASN A 18 -2.132 -10.477 2.418 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.732 -9.339 2.662 1.00 21.33 O ATOM 259 ND2 ASN A 18 -3.222 -10.978 2.992 1.00 62.40 N ATOM 0 H ASN A 18 -0.479 -13.039 -0.174 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.808 -12.977 1.448 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.606 -11.924 1.993 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.863 -10.757 0.711 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.753 -10.415 3.656 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.527 -11.925 2.768 1.00 62.40 H new ATOM 266 N ALA A 19 -2.976 -11.474 -1.440 1.00 61.24 N ATOM 267 CA ALA A 19 -3.909 -10.877 -2.396 1.00 24.21 C ATOM 268 C ALA A 19 -5.100 -11.805 -2.617 1.00 11.54 C ATOM 269 O ALA A 19 -6.245 -11.359 -2.739 1.00 11.42 O ATOM 270 CB ALA A 19 -3.206 -10.582 -3.718 1.00 61.32 C ATOM 0 H ALA A 19 -2.071 -11.726 -1.838 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.273 -9.935 -1.986 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.916 -10.138 -4.416 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.384 -9.887 -3.546 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.816 -11.509 -4.137 1.00 61.32 H new ATOM 276 N GLY A 20 -4.815 -13.103 -2.668 1.00 74.52 N ATOM 277 CA GLY A 20 -5.861 -14.096 -2.794 1.00 23.12 C ATOM 278 C GLY A 20 -6.642 -14.253 -1.506 1.00 55.43 C ATOM 279 O GLY A 20 -7.869 -14.380 -1.522 1.00 43.31 O ATOM 0 H GLY A 20 -3.870 -13.484 -2.624 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.539 -13.810 -3.598 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.422 -15.054 -3.072 1.00 23.12 H new ATOM 283 N TYR A 21 -5.928 -14.216 -0.385 1.00 62.21 N ATOM 284 CA TYR A 21 -6.525 -14.396 0.935 1.00 10.20 C ATOM 285 C TYR A 21 -6.178 -13.226 1.861 1.00 4.45 C ATOM 286 O TYR A 21 -5.249 -13.319 2.667 1.00 64.21 O ATOM 287 CB TYR A 21 -6.031 -15.695 1.576 1.00 61.50 C ATOM 288 CG TYR A 21 -6.344 -16.963 0.802 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.626 -17.506 0.805 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.347 -17.643 0.107 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.902 -18.682 0.134 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.618 -18.819 -0.560 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.897 -19.334 -0.550 1.00 65.41 C ATOM 294 OH TYR A 21 -7.161 -20.511 -1.214 1.00 73.14 O ATOM 0 H TYR A 21 -4.920 -14.061 -0.366 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.606 -14.439 0.801 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.951 -15.627 1.708 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.469 -15.779 2.571 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.417 -17.001 1.340 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.344 -17.242 0.090 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.902 -19.090 0.145 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.831 -19.335 -1.089 1.00 2.43 H new ATOM 0 HH TYR A 21 -8.089 -20.779 -1.048 1.00 73.14 H new ATOM 304 N PRO A 22 -6.903 -12.102 1.751 1.00 33.03 N ATOM 305 CA PRO A 22 -6.723 -10.966 2.656 1.00 62.52 C ATOM 306 C PRO A 22 -7.479 -11.177 3.967 1.00 1.51 C ATOM 307 O PRO A 22 -7.269 -10.461 4.949 1.00 55.41 O ATOM 308 CB PRO A 22 -7.317 -9.800 1.860 1.00 44.14 C ATOM 309 CG PRO A 22 -8.396 -10.428 1.039 1.00 13.52 C ATOM 310 CD PRO A 22 -7.935 -11.833 0.729 1.00 34.34 C ATOM 0 HA PRO A 22 -5.684 -10.808 2.945 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.716 -9.030 2.520 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.565 -9.323 1.231 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.340 -10.441 1.583 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.564 -9.863 0.122 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.757 -12.546 0.793 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.527 -11.906 -0.279 1.00 34.34 H new ATOM 318 N GLU A 23 -8.352 -12.187 3.969 1.00 61.20 N ATOM 319 CA GLU A 23 -9.208 -12.491 5.111 1.00 14.11 C ATOM 320 C GLU A 23 -8.799 -13.819 5.759 1.00 1.14 C ATOM 321 O GLU A 23 -9.507 -14.345 6.618 1.00 3.25 O ATOM 322 CB GLU A 23 -10.669 -12.558 4.646 1.00 54.54 C ATOM 323 CG GLU A 23 -11.150 -11.287 3.950 1.00 45.01 C ATOM 324 CD GLU A 23 -12.532 -11.436 3.332 1.00 53.32 C ATOM 325 OE1 GLU A 23 -13.533 -11.370 4.072 1.00 54.44 O ATOM 326 OE2 GLU A 23 -12.626 -11.620 2.099 1.00 44.43 O ATOM 0 H GLU A 23 -8.483 -12.816 3.177 1.00 61.20 H new ATOM 0 HA GLU A 23 -9.097 -11.703 5.856 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.786 -13.401 3.965 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -11.307 -12.753 5.508 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -11.166 -10.469 4.670 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.437 -11.013 3.172 1.00 45.01 H new ATOM 333 N GLY A 24 -7.648 -14.349 5.346 1.00 55.34 N ATOM 334 CA GLY A 24 -7.192 -15.639 5.837 1.00 5.42 C ATOM 335 C GLY A 24 -7.528 -16.758 4.870 1.00 72.15 C ATOM 336 O GLY A 24 -8.270 -16.545 3.909 1.00 1.40 O ATOM 0 H GLY A 24 -7.021 -13.904 4.676 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -6.114 -15.607 5.997 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -7.652 -15.843 6.804 1.00 5.42 H new ATOM 340 N VAL A 25 -6.983 -17.947 5.112 1.00 31.52 N ATOM 341 CA VAL A 25 -7.228 -19.103 4.248 1.00 42.05 C ATOM 342 C VAL A 25 -7.914 -20.208 5.052 1.00 51.00 C ATOM 343 O VAL A 25 -7.432 -20.575 6.128 1.00 41.02 O ATOM 344 CB VAL A 25 -5.911 -19.675 3.650 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.182 -20.540 2.428 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.897 -18.574 3.354 1.00 50.32 C ATOM 0 H VAL A 25 -6.366 -18.138 5.902 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.862 -18.766 3.428 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.465 -20.319 4.408 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.239 -20.923 2.037 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.824 -21.375 2.708 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.677 -19.943 1.662 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.992 -19.016 2.938 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.321 -17.872 2.636 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.653 -18.047 4.276 1.00 50.32 H new ATOM 356 N PRO A 26 -9.045 -20.751 4.563 1.00 73.25 N ATOM 357 CA PRO A 26 -9.720 -21.875 5.224 1.00 54.21 C ATOM 358 C PRO A 26 -8.926 -23.177 5.075 1.00 64.34 C ATOM 359 O PRO A 26 -8.091 -23.302 4.177 1.00 2.12 O ATOM 360 CB PRO A 26 -11.068 -21.964 4.495 1.00 23.03 C ATOM 361 CG PRO A 26 -10.810 -21.378 3.150 1.00 64.34 C ATOM 362 CD PRO A 26 -9.762 -20.313 3.346 1.00 63.21 C ATOM 0 HA PRO A 26 -9.825 -21.726 6.299 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.409 -22.996 4.418 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.843 -21.411 5.026 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.463 -22.141 2.454 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.722 -20.954 2.730 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -9.093 -20.246 2.488 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -10.211 -19.328 3.477 1.00 63.21 H new ATOM 370 N GLY A 27 -9.205 -24.138 5.950 1.00 3.45 N ATOM 371 CA GLY A 27 -8.482 -25.405 5.959 1.00 3.53 C ATOM 372 C GLY A 27 -8.438 -26.105 4.600 1.00 40.15 C ATOM 373 O GLY A 27 -7.343 -26.420 4.106 1.00 54.14 O ATOM 0 H GLY A 27 -9.929 -24.063 6.664 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.461 -25.227 6.298 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.947 -26.072 6.685 1.00 3.53 H new ATOM 377 N PRO A 28 -9.610 -26.332 3.951 1.00 4.10 N ATOM 378 CA PRO A 28 -9.687 -27.084 2.684 1.00 31.40 C ATOM 379 C PRO A 28 -8.978 -26.364 1.540 1.00 1.42 C ATOM 380 O PRO A 28 -8.843 -26.904 0.442 1.00 5.10 O ATOM 381 CB PRO A 28 -11.198 -27.195 2.416 1.00 12.20 C ATOM 382 CG PRO A 28 -11.802 -26.056 3.160 1.00 51.25 C ATOM 383 CD PRO A 28 -10.946 -25.863 4.384 1.00 54.20 C ATOM 0 HA PRO A 28 -9.191 -28.052 2.753 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.416 -27.131 1.350 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.592 -28.149 2.765 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -11.818 -25.154 2.548 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.834 -26.273 3.435 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.923 -24.819 4.697 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -11.319 -26.441 5.230 1.00 54.20 H new ATOM 391 N ASP A 29 -8.541 -25.137 1.801 1.00 63.12 N ATOM 392 CA ASP A 29 -7.740 -24.382 0.847 1.00 75.13 C ATOM 393 C ASP A 29 -6.279 -24.402 1.278 1.00 41.35 C ATOM 394 O ASP A 29 -5.378 -24.532 0.451 1.00 20.04 O ATOM 395 CB ASP A 29 -8.237 -22.935 0.741 1.00 13.15 C ATOM 396 CG ASP A 29 -9.558 -22.810 -0.008 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.597 -23.258 0.522 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.564 -22.263 -1.134 1.00 42.44 O ATOM 0 H ASP A 29 -8.730 -24.642 2.672 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.836 -24.847 -0.134 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.354 -22.523 1.743 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.481 -22.334 0.236 1.00 13.15 H new ATOM 403 N ARG A 30 -6.057 -24.320 2.590 1.00 54.40 N ATOM 404 CA ARG A 30 -4.708 -24.257 3.148 1.00 24.35 C ATOM 405 C ARG A 30 -3.916 -25.525 2.852 1.00 11.25 C ATOM 406 O ARG A 30 -2.781 -25.456 2.378 1.00 45.02 O ATOM 407 CB ARG A 30 -4.747 -24.035 4.666 1.00 44.21 C ATOM 408 CG ARG A 30 -5.185 -22.641 5.083 1.00 23.22 C ATOM 409 CD ARG A 30 -4.935 -22.382 6.565 1.00 3.15 C ATOM 410 NE ARG A 30 -5.731 -23.257 7.430 1.00 71.13 N ATOM 411 CZ ARG A 30 -5.249 -23.911 8.490 1.00 23.15 C ATOM 412 NH1 ARG A 30 -3.962 -23.814 8.809 1.00 65.41 N ATOM 413 NH2 ARG A 30 -6.058 -24.656 9.233 1.00 74.54 N ATOM 0 H ARG A 30 -6.800 -24.296 3.289 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.212 -23.412 2.670 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.424 -24.764 5.111 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.756 -24.229 5.075 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.649 -21.900 4.490 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.246 -22.515 4.867 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.877 -22.527 6.782 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -5.168 -21.342 6.793 1.00 3.15 H new ATOM 0 HE ARG A 30 -6.720 -23.374 7.208 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.338 -23.238 8.243 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -3.598 -24.315 9.619 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -7.047 -24.729 8.994 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -5.691 -25.156 10.043 1.00 74.54 H new ATOM 427 N VAL A 31 -4.513 -26.679 3.144 1.00 12.44 N ATOM 428 CA VAL A 31 -3.804 -27.952 2.999 1.00 14.30 C ATOM 429 C VAL A 31 -3.327 -28.165 1.548 1.00 1.22 C ATOM 430 O VAL A 31 -2.140 -28.431 1.316 1.00 3.34 O ATOM 431 CB VAL A 31 -4.666 -29.158 3.471 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.867 -30.456 3.405 1.00 35.31 C ATOM 433 CG2 VAL A 31 -5.183 -28.926 4.886 1.00 61.25 C ATOM 0 H VAL A 31 -5.473 -26.761 3.478 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.928 -27.899 3.646 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.520 -29.247 2.799 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.491 -31.285 3.740 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.547 -30.634 2.378 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.991 -30.377 4.050 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.784 -29.780 5.199 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -4.340 -28.807 5.566 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.796 -28.025 4.906 1.00 61.25 H new ATOM 443 N PRO A 32 -4.222 -28.036 0.540 1.00 64.13 N ATOM 444 CA PRO A 32 -3.825 -28.166 -0.866 1.00 15.21 C ATOM 445 C PRO A 32 -2.946 -27.001 -1.322 1.00 21.04 C ATOM 446 O PRO A 32 -2.115 -27.163 -2.217 1.00 13.40 O ATOM 447 CB PRO A 32 -5.162 -28.180 -1.619 1.00 64.15 C ATOM 448 CG PRO A 32 -6.099 -27.447 -0.731 1.00 73.12 C ATOM 449 CD PRO A 32 -5.672 -27.776 0.674 1.00 53.53 C ATOM 0 HA PRO A 32 -3.224 -29.058 -1.046 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.075 -27.694 -2.591 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.504 -29.199 -1.801 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.052 -26.373 -0.913 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.129 -27.755 -0.909 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.871 -26.951 1.358 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.202 -28.646 1.062 1.00 53.53 H new ATOM 457 N LEU A 33 -3.136 -25.831 -0.702 1.00 51.45 N ATOM 458 CA LEU A 33 -2.303 -24.662 -0.992 1.00 71.25 C ATOM 459 C LEU A 33 -0.843 -25.006 -0.729 1.00 22.31 C ATOM 460 O LEU A 33 0.022 -24.783 -1.576 1.00 14.43 O ATOM 461 CB LEU A 33 -2.747 -23.452 -0.132 1.00 44.31 C ATOM 462 CG LEU A 33 -2.125 -22.078 -0.474 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.698 -21.952 0.063 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.155 -21.829 -1.982 1.00 5.41 C ATOM 0 H LEU A 33 -3.857 -25.670 0.001 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.420 -24.387 -2.040 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.830 -23.361 -0.209 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.520 -23.676 0.910 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.730 -21.316 0.017 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.296 -20.973 -0.198 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.706 -22.064 1.147 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.074 -22.729 -0.377 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.712 -20.857 -2.199 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.587 -22.608 -2.491 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.187 -21.844 -2.333 1.00 5.41 H new ATOM 476 N LEU A 34 -0.586 -25.583 0.437 1.00 52.24 N ATOM 477 CA LEU A 34 0.766 -25.976 0.817 1.00 54.12 C ATOM 478 C LEU A 34 1.246 -27.150 -0.017 1.00 50.24 C ATOM 479 O LEU A 34 2.400 -27.178 -0.443 1.00 13.00 O ATOM 480 CB LEU A 34 0.842 -26.318 2.309 1.00 2.21 C ATOM 481 CG LEU A 34 1.296 -25.165 3.213 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.712 -24.734 2.843 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.323 -23.990 3.119 1.00 74.02 C ATOM 0 H LEU A 34 -1.297 -25.790 1.138 1.00 52.24 H new ATOM 0 HA LEU A 34 1.422 -25.127 0.626 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -0.140 -26.655 2.640 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.527 -27.155 2.441 1.00 2.21 H new ATOM 0 HG LEU A 34 1.301 -25.512 4.246 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.024 -23.915 3.491 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.393 -25.576 2.969 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.732 -24.403 1.805 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.663 -23.183 3.768 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.280 -23.634 2.089 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.670 -24.314 3.433 1.00 74.02 H new ATOM 495 N ALA A 35 0.365 -28.120 -0.241 1.00 22.33 N ATOM 496 CA ALA A 35 0.701 -29.271 -1.069 1.00 2.14 C ATOM 497 C ALA A 35 1.249 -28.808 -2.420 1.00 71.13 C ATOM 498 O ALA A 35 2.278 -29.293 -2.887 1.00 71.44 O ATOM 499 CB ALA A 35 -0.521 -30.163 -1.259 1.00 72.12 C ATOM 0 H ALA A 35 -0.582 -28.132 0.137 1.00 22.33 H new ATOM 0 HA ALA A 35 1.473 -29.853 -0.565 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.254 -31.018 -1.880 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.870 -30.514 -0.288 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.314 -29.595 -1.746 1.00 72.12 H new ATOM 505 N LEU A 36 0.551 -27.856 -3.029 1.00 60.32 N ATOM 506 CA LEU A 36 0.949 -27.277 -4.309 1.00 5.22 C ATOM 507 C LEU A 36 2.190 -26.382 -4.152 1.00 32.42 C ATOM 508 O LEU A 36 3.090 -26.392 -4.991 1.00 24.53 O ATOM 509 CB LEU A 36 -0.243 -26.493 -4.902 1.00 43.41 C ATOM 510 CG LEU A 36 -0.122 -26.034 -6.371 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.786 -24.818 -6.506 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.366 -27.177 -7.259 1.00 70.30 C ATOM 0 H LEU A 36 -0.310 -27.462 -2.649 1.00 60.32 H new ATOM 0 HA LEU A 36 1.223 -28.077 -4.996 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.134 -27.115 -4.814 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.408 -25.610 -4.284 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.117 -25.740 -6.706 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.847 -24.524 -7.554 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.379 -23.993 -5.921 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.782 -25.066 -6.140 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.443 -26.830 -8.289 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.344 -27.513 -6.915 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.341 -28.005 -7.207 1.00 70.30 H new ATOM 524 N LEU A 37 2.229 -25.613 -3.066 1.00 22.00 N ATOM 525 CA LEU A 37 3.273 -24.601 -2.859 1.00 0.21 C ATOM 526 C LEU A 37 4.647 -25.244 -2.638 1.00 50.35 C ATOM 527 O LEU A 37 5.632 -24.869 -3.280 1.00 73.01 O ATOM 528 CB LEU A 37 2.878 -23.705 -1.662 1.00 72.43 C ATOM 529 CG LEU A 37 3.665 -22.385 -1.490 1.00 43.44 C ATOM 530 CD1 LEU A 37 2.903 -21.424 -0.578 1.00 4.05 C ATOM 531 CD2 LEU A 37 5.063 -22.634 -0.923 1.00 24.13 C ATOM 0 H LEU A 37 1.547 -25.669 -2.309 1.00 22.00 H new ATOM 0 HA LEU A 37 3.354 -23.989 -3.758 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.820 -23.460 -1.755 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.990 -24.289 -0.749 1.00 72.43 H new ATOM 0 HG LEU A 37 3.773 -21.938 -2.478 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.471 -20.500 -0.467 1.00 4.05 H new ATOM 0 HD12 LEU A 37 1.930 -21.202 -1.016 1.00 4.05 H new ATOM 0 HD13 LEU A 37 2.764 -21.884 0.400 1.00 4.05 H new ATOM 0 HD21 LEU A 37 5.587 -21.684 -0.816 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.980 -23.115 0.052 1.00 24.13 H new ATOM 0 HD23 LEU A 37 5.620 -23.281 -1.600 1.00 24.13 H new ATOM 543 N THR A 38 4.699 -26.231 -1.751 1.00 10.21 N ATOM 544 CA THR A 38 5.965 -26.834 -1.314 1.00 5.04 C ATOM 545 C THR A 38 6.660 -27.591 -2.447 1.00 62.54 C ATOM 546 O THR A 38 7.814 -28.006 -2.313 1.00 50.11 O ATOM 547 CB THR A 38 5.745 -27.790 -0.119 1.00 61.23 C ATOM 548 OG1 THR A 38 4.738 -28.759 -0.445 1.00 1.52 O ATOM 549 CG2 THR A 38 5.331 -27.026 1.138 1.00 31.33 C ATOM 0 H THR A 38 3.873 -26.638 -1.313 1.00 10.21 H new ATOM 0 HA THR A 38 6.609 -26.011 -1.003 1.00 5.04 H new ATOM 0 HB THR A 38 6.690 -28.294 0.083 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.853 -28.341 -0.396 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.185 -27.728 1.959 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.112 -26.314 1.405 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.401 -26.490 0.948 1.00 31.33 H new ATOM 557 N ARG A 39 5.951 -27.769 -3.553 1.00 14.25 N ATOM 558 CA ARG A 39 6.474 -28.489 -4.706 1.00 24.04 C ATOM 559 C ARG A 39 7.758 -27.840 -5.229 1.00 71.34 C ATOM 560 O ARG A 39 8.784 -28.507 -5.378 1.00 72.22 O ATOM 561 CB ARG A 39 5.411 -28.533 -5.815 1.00 54.52 C ATOM 562 CG ARG A 39 4.102 -29.199 -5.391 1.00 31.23 C ATOM 563 CD ARG A 39 4.266 -30.692 -5.124 1.00 22.04 C ATOM 564 NE ARG A 39 4.367 -31.460 -6.367 1.00 23.20 N ATOM 565 CZ ARG A 39 5.144 -32.530 -6.534 1.00 2.41 C ATOM 566 NH1 ARG A 39 5.973 -32.913 -5.571 1.00 33.22 N ATOM 567 NH2 ARG A 39 5.098 -33.208 -7.675 1.00 12.20 N ATOM 0 H ARG A 39 5.001 -27.420 -3.676 1.00 14.25 H new ATOM 0 HA ARG A 39 6.716 -29.505 -4.396 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.200 -27.515 -6.143 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.818 -29.067 -6.674 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.725 -28.712 -4.492 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.354 -29.053 -6.171 1.00 31.23 H new ATOM 0 HD2 ARG A 39 5.159 -30.857 -4.521 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.418 -31.052 -4.542 1.00 22.04 H new ATOM 0 HE ARG A 39 3.803 -31.155 -7.160 1.00 23.20 H new ATOM 0 HH11 ARG A 39 6.018 -32.388 -4.698 1.00 33.22 H new ATOM 0 HH12 ARG A 39 6.565 -33.733 -5.704 1.00 33.22 H new ATOM 0 HH21 ARG A 39 4.469 -32.909 -8.421 1.00 12.20 H new ATOM 0 HH22 ARG A 39 5.691 -34.027 -7.806 1.00 12.20 H new ATOM 581 N ARG A 40 7.696 -26.536 -5.513 1.00 53.35 N ATOM 582 CA ARG A 40 8.819 -25.837 -6.142 1.00 42.31 C ATOM 583 C ARG A 40 9.519 -24.835 -5.221 1.00 74.53 C ATOM 584 O ARG A 40 10.567 -24.305 -5.583 1.00 12.24 O ATOM 585 CB ARG A 40 8.302 -25.147 -7.399 1.00 64.35 C ATOM 586 CG ARG A 40 7.684 -26.141 -8.368 1.00 51.10 C ATOM 587 CD ARG A 40 7.024 -25.474 -9.557 1.00 53.50 C ATOM 588 NE ARG A 40 7.965 -24.729 -10.407 1.00 44.33 N ATOM 589 CZ ARG A 40 9.097 -25.221 -10.930 1.00 71.12 C ATOM 590 NH1 ARG A 40 9.467 -26.480 -10.705 1.00 73.41 N ATOM 591 NH2 ARG A 40 9.856 -24.441 -11.690 1.00 72.30 N ATOM 0 H ARG A 40 6.886 -25.947 -5.319 1.00 53.35 H new ATOM 0 HA ARG A 40 9.581 -26.578 -6.385 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.561 -24.397 -7.124 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.121 -24.621 -7.889 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.457 -26.823 -8.723 1.00 51.10 H new ATOM 0 HG3 ARG A 40 6.945 -26.744 -7.840 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.525 -26.233 -10.159 1.00 53.50 H new ATOM 0 HD3 ARG A 40 6.252 -24.793 -9.199 1.00 53.50 H new ATOM 0 HE ARG A 40 7.737 -23.757 -10.616 1.00 44.33 H new ATOM 0 HH11 ARG A 40 8.886 -27.087 -10.127 1.00 73.41 H new ATOM 0 HH12 ARG A 40 10.332 -26.838 -11.111 1.00 73.41 H new ATOM 0 HH21 ARG A 40 9.576 -23.477 -11.871 1.00 72.30 H new ATOM 0 HH22 ARG A 40 10.719 -24.806 -12.093 1.00 72.30 H new ATOM 605 N LEU A 41 8.960 -24.568 -4.042 1.00 34.24 N ATOM 606 CA LEU A 41 9.624 -23.682 -3.075 1.00 61.12 C ATOM 607 C LEU A 41 10.371 -24.497 -2.026 1.00 73.41 C ATOM 608 O LEU A 41 9.929 -25.582 -1.633 1.00 54.35 O ATOM 609 CB LEU A 41 8.634 -22.723 -2.386 1.00 3.20 C ATOM 610 CG LEU A 41 8.084 -21.588 -3.267 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.001 -22.102 -4.201 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.565 -20.433 -2.410 1.00 65.23 C ATOM 0 H LEU A 41 8.064 -24.943 -3.732 1.00 34.24 H new ATOM 0 HA LEU A 41 10.335 -23.076 -3.637 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.794 -23.306 -2.010 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.128 -22.280 -1.521 1.00 3.20 H new ATOM 0 HG LEU A 41 8.903 -21.210 -3.879 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.628 -21.281 -4.813 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.415 -22.877 -4.846 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.182 -22.518 -3.614 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.182 -19.644 -3.057 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.765 -20.792 -1.762 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.378 -20.039 -1.799 1.00 65.23 H new ATOM 624 N THR A 42 11.502 -23.970 -1.578 1.00 74.31 N ATOM 625 CA THR A 42 12.319 -24.630 -0.569 1.00 41.11 C ATOM 626 C THR A 42 11.713 -24.466 0.822 1.00 41.00 C ATOM 627 O THR A 42 10.809 -23.647 1.027 1.00 32.31 O ATOM 628 CB THR A 42 13.752 -24.054 -0.554 1.00 51.30 C ATOM 629 OG1 THR A 42 13.707 -22.656 -0.230 1.00 51.23 O ATOM 630 CG2 THR A 42 14.433 -24.245 -1.905 1.00 74.30 C ATOM 0 H THR A 42 11.877 -23.078 -1.901 1.00 74.31 H new ATOM 0 HA THR A 42 12.353 -25.688 -0.828 1.00 41.11 H new ATOM 0 HB THR A 42 14.329 -24.589 0.200 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.617 -22.293 -0.220 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.440 -23.830 -1.867 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.487 -25.308 -2.138 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.859 -23.733 -2.677 1.00 74.30 H new ATOM 638 N ASN A 43 12.223 -25.246 1.774 1.00 61.44 N ATOM 639 CA ASN A 43 11.812 -25.129 3.169 1.00 23.11 C ATOM 640 C ASN A 43 12.036 -23.703 3.662 1.00 72.30 C ATOM 641 O ASN A 43 11.163 -23.105 4.287 1.00 71.12 O ATOM 642 CB ASN A 43 12.586 -26.123 4.053 1.00 34.35 C ATOM 643 CG ASN A 43 12.131 -27.559 3.860 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.598 -28.256 2.959 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.223 -28.019 4.713 1.00 61.42 N ATOM 0 H ASN A 43 12.923 -25.967 1.602 1.00 61.44 H new ATOM 0 HA ASN A 43 10.750 -25.367 3.236 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.650 -26.050 3.828 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.462 -25.845 5.100 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.890 -28.980 4.634 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.859 -27.412 5.447 1.00 61.42 H new ATOM 652 N ASP A 44 13.199 -23.146 3.351 1.00 0.21 N ATOM 653 CA ASP A 44 13.541 -21.801 3.802 1.00 22.12 C ATOM 654 C ASP A 44 12.602 -20.767 3.197 1.00 42.40 C ATOM 655 O ASP A 44 12.220 -19.810 3.870 1.00 60.34 O ATOM 656 CB ASP A 44 15.001 -21.458 3.472 1.00 1.30 C ATOM 657 CG ASP A 44 15.989 -22.272 4.293 1.00 22.22 C ATOM 658 OD1 ASP A 44 15.854 -22.304 5.538 1.00 41.24 O ATOM 659 OD2 ASP A 44 16.904 -22.883 3.698 1.00 4.40 O ATOM 0 H ASP A 44 13.920 -23.601 2.791 1.00 0.21 H new ATOM 0 HA ASP A 44 13.424 -21.779 4.885 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.182 -21.635 2.412 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.171 -20.397 3.652 1.00 1.30 H new ATOM 664 N GLU A 45 12.220 -20.960 1.935 1.00 2.43 N ATOM 665 CA GLU A 45 11.281 -20.052 1.275 1.00 12.41 C ATOM 666 C GLU A 45 9.907 -20.085 1.952 1.00 74.32 C ATOM 667 O GLU A 45 9.382 -19.037 2.360 1.00 52.21 O ATOM 668 CB GLU A 45 11.160 -20.397 -0.214 1.00 10.44 C ATOM 669 CG GLU A 45 12.379 -19.982 -1.029 1.00 2.34 C ATOM 670 CD GLU A 45 12.266 -20.381 -2.488 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.583 -21.547 -2.804 1.00 35.01 O ATOM 672 OE2 GLU A 45 11.853 -19.537 -3.310 1.00 64.14 O ATOM 0 H GLU A 45 12.544 -21.732 1.352 1.00 2.43 H new ATOM 0 HA GLU A 45 11.672 -19.039 1.367 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.009 -21.471 -0.320 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.275 -19.909 -0.622 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.507 -18.902 -0.960 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.271 -20.437 -0.599 1.00 2.34 H new ATOM 679 N ILE A 46 9.329 -21.283 2.094 1.00 40.25 N ATOM 680 CA ILE A 46 8.017 -21.413 2.729 1.00 2.42 C ATOM 681 C ILE A 46 8.045 -20.801 4.135 1.00 23.22 C ATOM 682 O ILE A 46 7.092 -20.138 4.547 1.00 2.24 O ATOM 683 CB ILE A 46 7.512 -22.895 2.760 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.193 -23.045 3.557 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.571 -23.835 3.313 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.369 -23.253 5.055 1.00 5.20 C ATOM 0 H ILE A 46 9.742 -22.162 1.783 1.00 40.25 H new ATOM 0 HA ILE A 46 7.301 -20.859 2.122 1.00 2.42 H new ATOM 0 HB ILE A 46 7.311 -23.173 1.726 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.586 -22.154 3.398 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.634 -23.888 3.151 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.185 -24.854 3.319 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.462 -23.788 2.687 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.826 -23.537 4.330 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.391 -23.347 5.527 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.946 -24.161 5.231 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.897 -22.400 5.481 1.00 5.20 H new ATOM 698 N LYS A 47 9.150 -21.006 4.860 1.00 61.14 N ATOM 699 CA LYS A 47 9.325 -20.368 6.165 1.00 33.02 C ATOM 700 C LYS A 47 9.328 -18.854 6.004 1.00 44.41 C ATOM 701 O LYS A 47 8.613 -18.141 6.706 1.00 14.11 O ATOM 702 CB LYS A 47 10.649 -20.768 6.823 1.00 63.24 C ATOM 703 CG LYS A 47 10.843 -22.259 7.050 1.00 43.11 C ATOM 704 CD LYS A 47 12.277 -22.535 7.499 1.00 45.04 C ATOM 705 CE LYS A 47 12.630 -24.017 7.490 1.00 73.15 C ATOM 706 NZ LYS A 47 14.085 -24.234 7.727 1.00 75.33 N ATOM 0 H LYS A 47 9.926 -21.601 4.569 1.00 61.14 H new ATOM 0 HA LYS A 47 8.498 -20.697 6.794 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.468 -20.403 6.203 1.00 63.24 H new ATOM 0 HB3 LYS A 47 10.726 -20.259 7.784 1.00 63.24 H new ATOM 0 HG2 LYS A 47 10.142 -22.615 7.805 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.628 -22.806 6.132 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.966 -21.999 6.846 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.419 -22.140 8.505 1.00 45.04 H new ATOM 0 HE2 LYS A 47 12.054 -24.534 8.258 1.00 73.15 H new ATOM 0 HE3 LYS A 47 12.347 -24.453 6.532 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 14.321 -25.231 7.548 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 14.635 -23.627 7.086 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 14.316 -23.996 8.713 1.00 75.33 H new ATOM 720 N ALA A 48 10.151 -18.381 5.060 1.00 32.32 N ATOM 721 CA ALA A 48 10.351 -16.950 4.832 1.00 3.50 C ATOM 722 C ALA A 48 9.023 -16.243 4.616 1.00 23.32 C ATOM 723 O ALA A 48 8.843 -15.105 5.048 1.00 52.32 O ATOM 724 CB ALA A 48 11.277 -16.722 3.640 1.00 43.35 C ATOM 0 H ALA A 48 10.694 -18.979 4.437 1.00 32.32 H new ATOM 0 HA ALA A 48 10.819 -16.528 5.721 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.414 -15.652 3.485 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.243 -17.187 3.836 1.00 43.35 H new ATOM 0 HB3 ALA A 48 10.836 -17.164 2.747 1.00 43.35 H new ATOM 730 N ILE A 49 8.097 -16.927 3.946 1.00 73.51 N ATOM 731 CA ILE A 49 6.752 -16.392 3.744 1.00 11.34 C ATOM 732 C ILE A 49 6.077 -16.098 5.087 1.00 32.52 C ATOM 733 O ILE A 49 5.444 -15.056 5.260 1.00 25.45 O ATOM 734 CB ILE A 49 5.866 -17.356 2.919 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.514 -17.630 1.551 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.456 -16.784 2.745 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.853 -16.373 0.775 1.00 74.30 C ATOM 0 H ILE A 49 8.252 -17.848 3.536 1.00 73.51 H new ATOM 0 HA ILE A 49 6.860 -15.464 3.183 1.00 11.34 H new ATOM 0 HB ILE A 49 5.782 -18.298 3.460 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.424 -18.211 1.700 1.00 71.25 H new ATOM 0 HG13 ILE A 49 5.838 -18.243 0.955 1.00 71.25 H new ATOM 0 HG21 ILE A 49 3.851 -17.478 2.162 1.00 22.32 H new ATOM 0 HG22 ILE A 49 3.999 -16.638 3.724 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.513 -15.828 2.225 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.306 -16.645 -0.178 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.943 -15.801 0.594 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.554 -15.768 1.350 1.00 74.30 H new ATOM 749 N ALA A 50 6.239 -17.012 6.039 1.00 21.02 N ATOM 750 CA ALA A 50 5.650 -16.845 7.365 1.00 1.35 C ATOM 751 C ALA A 50 6.375 -15.740 8.109 1.00 3.30 C ATOM 752 O ALA A 50 5.757 -14.849 8.692 1.00 40.12 O ATOM 753 CB ALA A 50 5.718 -18.148 8.153 1.00 61.30 C ATOM 0 H ALA A 50 6.771 -17.874 5.918 1.00 21.02 H new ATOM 0 HA ALA A 50 4.601 -16.572 7.252 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.274 -18.001 9.138 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.170 -18.925 7.620 1.00 61.30 H new ATOM 0 HB3 ALA A 50 6.759 -18.451 8.266 1.00 61.30 H new ATOM 759 N GLU A 51 7.698 -15.800 8.040 1.00 14.35 N ATOM 760 CA GLU A 51 8.571 -14.864 8.733 1.00 45.45 C ATOM 761 C GLU A 51 8.259 -13.423 8.336 1.00 61.23 C ATOM 762 O GLU A 51 8.116 -12.556 9.197 1.00 40.34 O ATOM 763 CB GLU A 51 10.028 -15.204 8.401 1.00 4.25 C ATOM 764 CG GLU A 51 10.427 -16.628 8.788 1.00 61.30 C ATOM 765 CD GLU A 51 10.513 -16.831 10.292 1.00 30.31 C ATOM 766 OE1 GLU A 51 9.491 -17.197 10.915 1.00 71.41 O ATOM 767 OE2 GLU A 51 11.609 -16.626 10.862 1.00 71.15 O ATOM 0 H GLU A 51 8.198 -16.504 7.498 1.00 14.35 H new ATOM 0 HA GLU A 51 8.406 -14.953 9.807 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.190 -15.068 7.332 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.683 -14.500 8.914 1.00 4.25 H new ATOM 0 HG2 GLU A 51 9.702 -17.328 8.373 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.392 -16.864 8.339 1.00 61.30 H new ATOM 774 N ASP A 52 8.134 -13.182 7.035 1.00 54.12 N ATOM 775 CA ASP A 52 7.889 -11.835 6.519 1.00 62.53 C ATOM 776 C ASP A 52 6.589 -11.285 7.090 1.00 5.34 C ATOM 777 O ASP A 52 6.557 -10.195 7.666 1.00 13.14 O ATOM 778 CB ASP A 52 7.822 -11.848 4.984 1.00 51.25 C ATOM 779 CG ASP A 52 7.799 -10.448 4.385 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.878 -9.825 4.283 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.707 -9.966 4.013 1.00 61.55 O ATOM 0 H ASP A 52 8.198 -13.902 6.315 1.00 54.12 H new ATOM 0 HA ASP A 52 8.714 -11.193 6.826 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.681 -12.393 4.592 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.930 -12.389 4.668 1.00 51.25 H new ATOM 786 N LEU A 53 5.530 -12.077 6.960 1.00 34.00 N ATOM 787 CA LEU A 53 4.204 -11.700 7.447 1.00 31.15 C ATOM 788 C LEU A 53 4.218 -11.503 8.967 1.00 63.44 C ATOM 789 O LEU A 53 3.585 -10.579 9.487 1.00 24.44 O ATOM 790 CB LEU A 53 3.179 -12.771 7.040 1.00 23.10 C ATOM 791 CG LEU A 53 3.032 -12.977 5.518 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.144 -14.177 5.202 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.484 -11.715 4.854 1.00 2.44 C ATOM 0 H LEU A 53 5.564 -12.995 6.516 1.00 34.00 H new ATOM 0 HA LEU A 53 3.917 -10.751 6.994 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.464 -13.719 7.495 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.207 -12.499 7.452 1.00 23.10 H new ATOM 0 HG LEU A 53 4.024 -13.180 5.114 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.061 -14.294 4.121 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.583 -15.077 5.632 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.153 -14.018 5.627 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.388 -11.881 3.781 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.506 -11.478 5.274 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.166 -10.884 5.033 1.00 2.44 H new ATOM 805 N GLU A 54 4.961 -12.355 9.664 1.00 42.35 N ATOM 806 CA GLU A 54 5.091 -12.271 11.119 1.00 71.35 C ATOM 807 C GLU A 54 5.789 -10.978 11.534 1.00 51.43 C ATOM 808 O GLU A 54 5.450 -10.381 12.554 1.00 2.04 O ATOM 809 CB GLU A 54 5.864 -13.484 11.658 1.00 71.34 C ATOM 810 CG GLU A 54 5.052 -14.777 11.670 1.00 45.42 C ATOM 811 CD GLU A 54 4.015 -14.812 12.785 1.00 2.40 C ATOM 812 OE1 GLU A 54 2.918 -14.241 12.613 1.00 1.20 O ATOM 813 OE2 GLU A 54 4.299 -15.423 13.844 1.00 25.13 O ATOM 0 H GLU A 54 5.488 -13.120 9.243 1.00 42.35 H new ATOM 0 HA GLU A 54 4.088 -12.271 11.547 1.00 71.35 H new ATOM 0 HB2 GLU A 54 6.757 -13.633 11.051 1.00 71.34 H new ATOM 0 HB3 GLU A 54 6.200 -13.268 12.672 1.00 71.34 H new ATOM 0 HG2 GLU A 54 4.550 -14.895 10.710 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.728 -15.624 11.782 1.00 45.42 H new ATOM 963 N ASP A 63 -1.154 -20.626 10.236 1.00 1.43 N ATOM 964 CA ASP A 63 0.284 -20.805 9.997 1.00 15.25 C ATOM 965 C ASP A 63 0.594 -21.781 8.856 1.00 43.10 C ATOM 966 O ASP A 63 0.218 -22.955 8.891 1.00 22.32 O ATOM 967 CB ASP A 63 0.974 -21.276 11.281 1.00 62.22 C ATOM 968 CG ASP A 63 2.485 -21.381 11.127 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.975 -22.448 10.708 1.00 71.15 O ATOM 970 OD2 ASP A 63 3.189 -20.395 11.428 1.00 31.43 O ATOM 0 HA ASP A 63 0.670 -19.832 9.693 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.742 -20.583 12.089 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.573 -22.248 11.569 1.00 62.22 H new ATOM 975 N ILE A 64 1.310 -21.256 7.868 1.00 35.01 N ATOM 976 CA ILE A 64 1.674 -21.975 6.649 1.00 74.34 C ATOM 977 C ILE A 64 2.446 -23.270 6.938 1.00 73.52 C ATOM 978 O ILE A 64 2.288 -24.269 6.233 1.00 13.12 O ATOM 979 CB ILE A 64 2.505 -21.033 5.734 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.970 -21.746 4.461 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.704 -20.465 6.493 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.340 -20.801 3.339 1.00 23.31 C ATOM 0 H ILE A 64 1.662 -20.299 7.891 1.00 35.01 H new ATOM 0 HA ILE A 64 0.755 -22.272 6.144 1.00 74.34 H new ATOM 0 HB ILE A 64 1.855 -20.211 5.436 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.831 -22.370 4.698 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.178 -22.412 4.118 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.273 -19.808 5.835 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.353 -19.899 7.356 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.342 -21.282 6.830 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.660 -21.376 2.470 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.474 -20.194 3.074 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.153 -20.151 3.664 1.00 23.31 H new ATOM 994 N GLY A 65 3.247 -23.260 7.996 1.00 24.22 N ATOM 995 CA GLY A 65 4.065 -24.419 8.329 1.00 1.30 C ATOM 996 C GLY A 65 3.240 -25.585 8.855 1.00 31.50 C ATOM 997 O GLY A 65 3.561 -26.750 8.600 1.00 64.12 O ATOM 0 H GLY A 65 3.347 -22.470 8.633 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.615 -24.738 7.443 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.804 -24.135 9.078 1.00 1.30 H new ATOM 1001 N VAL A 66 2.165 -25.268 9.579 1.00 52.41 N ATOM 1002 CA VAL A 66 1.303 -26.288 10.182 1.00 10.01 C ATOM 1003 C VAL A 66 0.696 -27.200 9.117 1.00 22.33 C ATOM 1004 O VAL A 66 0.567 -28.411 9.321 1.00 54.21 O ATOM 1005 CB VAL A 66 0.171 -25.648 11.029 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.774 -26.717 11.584 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.762 -24.813 12.160 1.00 25.14 C ATOM 0 H VAL A 66 1.869 -24.309 9.763 1.00 52.41 H new ATOM 0 HA VAL A 66 1.933 -26.886 10.840 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.410 -24.993 10.380 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.557 -26.240 12.173 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -1.225 -27.268 10.759 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.213 -27.406 12.216 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.044 -24.371 12.745 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.370 -25.450 12.803 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.383 -24.021 11.741 1.00 25.14 H new ATOM 1017 N LEU A 67 0.338 -26.621 7.974 1.00 55.10 N ATOM 1018 CA LEU A 67 -0.283 -27.384 6.895 1.00 53.21 C ATOM 1019 C LEU A 67 0.633 -28.501 6.408 1.00 52.34 C ATOM 1020 O LEU A 67 0.169 -29.601 6.102 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.677 -26.474 5.720 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.886 -25.555 5.960 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.970 -26.266 6.768 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.462 -24.250 6.627 1.00 50.24 C ATOM 0 H LEU A 67 0.467 -25.630 7.771 1.00 55.10 H new ATOM 0 HA LEU A 67 -1.189 -27.833 7.301 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.181 -25.854 5.462 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.888 -27.102 4.854 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.312 -25.306 4.988 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.812 -25.590 6.921 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -3.308 -27.149 6.226 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.565 -26.566 7.734 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.338 -23.620 6.784 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.994 -24.467 7.587 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.750 -23.729 5.987 1.00 50.24 H new ATOM 1036 N ILE A 68 1.931 -28.227 6.362 1.00 31.54 N ATOM 1037 CA ILE A 68 2.909 -29.224 5.934 1.00 2.51 C ATOM 1038 C ILE A 68 2.885 -30.419 6.883 1.00 51.44 C ATOM 1039 O ILE A 68 2.984 -31.574 6.456 1.00 60.32 O ATOM 1040 CB ILE A 68 4.339 -28.631 5.881 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.367 -27.385 4.977 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.339 -29.676 5.390 1.00 72.11 C ATOM 1043 CD1 ILE A 68 5.729 -26.731 4.882 1.00 31.33 C ATOM 0 H ILE A 68 2.332 -27.324 6.615 1.00 31.54 H new ATOM 0 HA ILE A 68 2.637 -29.546 4.929 1.00 2.51 H new ATOM 0 HB ILE A 68 4.628 -28.334 6.889 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.038 -27.666 3.976 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.650 -26.657 5.355 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.337 -29.239 5.360 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.337 -30.529 6.069 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.058 -30.007 4.390 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.670 -25.861 4.228 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.052 -26.418 5.875 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.447 -27.443 4.474 1.00 31.33 H new ATOM 1055 N THR A 69 2.721 -30.128 8.171 1.00 24.31 N ATOM 1056 CA THR A 69 2.651 -31.162 9.195 1.00 33.41 C ATOM 1057 C THR A 69 1.397 -32.019 9.001 1.00 42.44 C ATOM 1058 O THR A 69 1.362 -33.190 9.382 1.00 21.42 O ATOM 1059 CB THR A 69 2.654 -30.535 10.611 1.00 21.35 C ATOM 1060 OG1 THR A 69 3.802 -29.683 10.757 1.00 24.41 O ATOM 1061 CG2 THR A 69 2.678 -31.605 11.700 1.00 64.12 C ATOM 0 H THR A 69 2.634 -29.177 8.530 1.00 24.31 H new ATOM 0 HA THR A 69 3.531 -31.797 9.098 1.00 33.41 H new ATOM 0 HB THR A 69 1.737 -29.956 10.723 1.00 21.35 H new ATOM 0 HG1 THR A 69 3.802 -29.285 11.653 1.00 24.41 H new ATOM 0 HG21 THR A 69 2.679 -31.127 12.680 1.00 64.12 H new ATOM 0 HG22 THR A 69 1.796 -32.239 11.607 1.00 64.12 H new ATOM 0 HG23 THR A 69 3.576 -32.214 11.592 1.00 64.12 H new ATOM 1069 N GLN A 70 0.368 -31.427 8.403 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.848 -32.161 8.076 1.00 71.34 C ATOM 1071 C GLN A 70 -0.627 -33.023 6.835 1.00 10.03 C ATOM 1072 O GLN A 70 -0.977 -34.197 6.817 1.00 34.11 O ATOM 1073 CB GLN A 70 -2.029 -31.205 7.857 1.00 31.34 C ATOM 1074 CG GLN A 70 -2.246 -30.216 9.001 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.717 -29.936 9.269 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -4.352 -30.625 10.066 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -4.269 -28.934 8.606 1.00 21.40 N ATOM 0 H GLN A 70 0.352 -30.443 8.136 1.00 34.14 H new ATOM 0 HA GLN A 70 -1.090 -32.809 8.919 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.866 -30.648 6.934 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.938 -31.791 7.720 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.785 -30.609 9.907 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.740 -29.280 8.766 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -3.710 -28.385 7.953 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -5.254 -28.710 8.748 1.00 21.40 H new ATOM 1086 N MET A 71 -0.014 -32.428 5.812 1.00 14.01 N ATOM 1087 CA MET A 71 0.220 -33.106 4.535 1.00 13.13 C ATOM 1088 C MET A 71 1.065 -34.366 4.708 1.00 21.22 C ATOM 1089 O MET A 71 0.835 -35.375 4.040 1.00 40.43 O ATOM 1090 CB MET A 71 0.919 -32.150 3.563 1.00 61.13 C ATOM 1091 CG MET A 71 0.043 -30.997 3.079 1.00 14.31 C ATOM 1092 SD MET A 71 0.966 -29.458 2.877 1.00 65.25 S ATOM 1093 CE MET A 71 2.439 -30.041 2.045 1.00 3.01 C ATOM 0 H MET A 71 0.333 -31.469 5.843 1.00 14.01 H new ATOM 0 HA MET A 71 -0.749 -33.404 4.135 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.804 -31.740 4.049 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.264 -32.717 2.698 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.415 -31.269 2.128 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.768 -30.839 3.790 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.860 -29.236 1.443 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.172 -30.362 2.785 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.184 -30.881 1.399 1.00 3.01 H new ATOM 1103 N THR A 72 2.048 -34.300 5.605 1.00 74.35 N ATOM 1104 CA THR A 72 2.942 -35.429 5.840 1.00 54.12 C ATOM 1105 C THR A 72 2.165 -36.619 6.404 1.00 21.40 C ATOM 1106 O THR A 72 2.553 -37.777 6.233 1.00 10.21 O ATOM 1107 CB THR A 72 4.090 -35.065 6.816 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.132 -36.048 6.739 1.00 54.05 O ATOM 1109 CG2 THR A 72 3.601 -34.968 8.261 1.00 32.34 C ATOM 0 H THR A 72 2.244 -33.479 6.178 1.00 74.35 H new ATOM 0 HA THR A 72 3.379 -35.694 4.877 1.00 54.12 H new ATOM 0 HB THR A 72 4.471 -34.088 6.517 1.00 4.43 H new ATOM 0 HG1 THR A 72 5.853 -35.809 7.358 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.437 -34.711 8.912 1.00 32.34 H new ATOM 0 HG22 THR A 72 2.834 -34.197 8.335 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.183 -35.926 8.569 1.00 32.34 H new ATOM 1117 N ASP A 73 1.071 -36.305 7.078 1.00 14.31 N ATOM 1118 CA ASP A 73 0.250 -37.303 7.743 1.00 73.20 C ATOM 1119 C ASP A 73 -0.845 -37.789 6.807 1.00 63.12 C ATOM 1120 O ASP A 73 -1.039 -38.993 6.619 1.00 62.50 O ATOM 1121 CB ASP A 73 -0.368 -36.682 8.995 1.00 53.23 C ATOM 1122 CG ASP A 73 -1.233 -37.660 9.781 1.00 24.13 C ATOM 1123 OD1 ASP A 73 -0.693 -38.397 10.634 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -2.463 -37.683 9.562 1.00 73.12 O ATOM 0 H ASP A 73 0.727 -35.350 7.180 1.00 14.31 H new ATOM 0 HA ASP A 73 0.868 -38.156 8.023 1.00 73.20 H new ATOM 0 HB2 ASP A 73 0.428 -36.310 9.640 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.972 -35.822 8.707 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.551 -36.833 6.221 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.626 -37.102 5.285 1.00 13.52 C ATOM 1131 C GLU A 74 -2.705 -35.982 4.249 1.00 52.34 C ATOM 1132 O GLU A 74 -3.008 -34.835 4.591 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.960 -37.221 6.028 1.00 65.33 C ATOM 1134 CG GLU A 74 -5.157 -37.428 5.108 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.473 -37.445 5.863 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -7.039 -36.357 6.110 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.951 -38.544 6.215 1.00 64.11 O ATOM 0 H GLU A 74 -1.390 -35.839 6.386 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.422 -38.045 4.778 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.903 -38.054 6.728 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -4.119 -36.319 6.619 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -5.180 -36.633 4.362 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -5.039 -38.368 4.569 1.00 22.12 H new ATOM 1144 N MET A 75 -2.425 -36.307 2.991 1.00 3.01 N ATOM 1145 CA MET A 75 -2.510 -35.327 1.914 1.00 44.15 C ATOM 1146 C MET A 75 -3.984 -35.054 1.601 1.00 2.42 C ATOM 1147 O MET A 75 -4.822 -35.946 1.753 1.00 23.31 O ATOM 1148 CB MET A 75 -1.763 -35.817 0.658 1.00 64.55 C ATOM 1149 CG MET A 75 -2.490 -36.904 -0.124 1.00 34.12 C ATOM 1150 SD MET A 75 -1.497 -37.581 -1.472 1.00 53.33 S ATOM 1151 CE MET A 75 -1.274 -36.128 -2.497 1.00 73.05 C ATOM 0 H MET A 75 -2.138 -37.239 2.693 1.00 3.01 H new ATOM 0 HA MET A 75 -2.031 -34.402 2.234 1.00 44.15 H new ATOM 0 HB2 MET A 75 -1.590 -34.967 -0.001 1.00 64.55 H new ATOM 0 HB3 MET A 75 -0.785 -36.194 0.956 1.00 64.55 H new ATOM 0 HG2 MET A 75 -2.769 -37.709 0.556 1.00 34.12 H new ATOM 0 HG3 MET A 75 -3.415 -36.496 -0.530 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.919 -36.429 -3.483 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.225 -35.605 -2.598 1.00 73.05 H new ATOM 0 HE3 MET A 75 -0.542 -35.465 -2.035 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.320 -33.828 1.161 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.716 -33.427 0.953 1.00 54.22 C ATOM 1163 C PRO A 76 -6.366 -34.202 -0.203 1.00 61.51 C ATOM 1164 O PRO A 76 -6.788 -35.349 -0.023 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.599 -31.922 0.663 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.247 -31.778 0.058 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.378 -32.744 0.816 1.00 32.14 C ATOM 0 HA PRO A 76 -6.360 -33.642 1.805 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.380 -31.585 -0.019 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.694 -31.331 1.574 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.264 -32.013 -1.006 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -3.878 -30.757 0.153 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.549 -33.106 0.208 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.944 -32.286 1.705 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.445 -33.591 -1.380 1.00 42.15 N ATOM 1176 CA ARG A 77 -6.961 -34.259 -2.569 1.00 24.23 C ATOM 1177 C ARG A 77 -6.426 -33.564 -3.805 1.00 64.03 C ATOM 1178 O ARG A 77 -6.111 -32.375 -3.763 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.488 -34.230 -2.574 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.149 -35.048 -3.680 1.00 65.13 C ATOM 1181 CD ARG A 77 -10.662 -35.122 -3.480 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.200 -33.871 -2.941 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.386 -33.753 -2.350 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -13.265 -34.748 -2.392 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -12.704 -32.613 -1.757 1.00 24.22 N ATOM 0 H ARG A 77 -6.155 -32.626 -1.536 1.00 42.15 H new ATOM 0 HA ARG A 77 -6.635 -35.299 -2.565 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -8.846 -34.595 -1.611 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -8.816 -33.194 -2.665 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -8.929 -34.600 -4.649 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -8.731 -36.055 -3.692 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.144 -35.345 -4.432 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -10.900 -35.942 -2.802 1.00 35.21 H new ATOM 0 HE ARG A 77 -10.626 -33.032 -3.025 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -13.033 -35.613 -2.881 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -14.172 -34.647 -1.936 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -12.043 -31.837 -1.756 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.611 -32.511 -1.301 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.347 -34.291 -4.902 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.886 -33.721 -6.165 1.00 10.22 C ATOM 1201 C GLU A 78 -6.902 -32.698 -6.662 1.00 23.31 C ATOM 1202 O GLU A 78 -6.539 -31.642 -7.177 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.655 -34.821 -7.208 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.547 -35.797 -6.826 1.00 21.42 C ATOM 1205 CD GLU A 78 -4.244 -36.806 -7.921 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -3.480 -36.468 -8.851 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -4.762 -37.945 -7.853 1.00 3.12 O ATOM 0 H GLU A 78 -6.595 -35.279 -4.950 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.932 -33.220 -6.003 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.583 -35.375 -7.352 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.408 -34.359 -8.164 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.641 -35.237 -6.594 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -4.835 -36.328 -5.919 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.179 -33.023 -6.472 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.274 -32.104 -6.766 1.00 62.11 C ATOM 1216 C GLU A 79 -9.066 -30.783 -6.020 1.00 42.33 C ATOM 1217 O GLU A 79 -9.146 -29.703 -6.610 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.603 -32.747 -6.346 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.840 -31.902 -6.625 1.00 54.04 C ATOM 1220 CD GLU A 79 -12.093 -31.681 -8.109 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -12.264 -32.678 -8.845 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -12.132 -30.513 -8.546 1.00 35.35 O ATOM 0 H GLU A 79 -8.482 -33.928 -6.111 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.297 -31.897 -7.836 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.708 -33.701 -6.863 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.563 -32.966 -5.279 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -12.710 -32.387 -6.183 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.730 -30.935 -6.134 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.782 -30.885 -4.719 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.568 -29.709 -3.876 1.00 23.21 C ATOM 1231 C ASP A 80 -7.387 -28.893 -4.397 1.00 50.24 C ATOM 1232 O ASP A 80 -7.489 -27.679 -4.584 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.299 -30.116 -2.416 1.00 4.30 C ATOM 1234 CG ASP A 80 -9.404 -30.961 -1.795 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.458 -31.162 -2.442 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -9.208 -31.451 -0.663 1.00 34.04 O ATOM 0 H ASP A 80 -8.695 -31.774 -4.226 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.475 -29.105 -3.911 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -7.362 -30.671 -2.371 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.165 -29.215 -1.817 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.274 -29.588 -4.634 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.044 -28.962 -5.117 1.00 75.11 C ATOM 1243 C ILE A 81 -5.292 -28.214 -6.427 1.00 23.01 C ATOM 1244 O ILE A 81 -4.813 -27.092 -6.617 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.922 -30.019 -5.309 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.602 -30.707 -3.963 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.663 -29.381 -5.907 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.685 -31.910 -4.079 1.00 11.21 C ATOM 0 H ILE A 81 -6.200 -30.596 -4.497 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.718 -28.245 -4.364 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.277 -30.774 -6.010 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.143 -29.978 -3.296 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.536 -31.021 -3.498 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.893 -30.143 -6.031 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.902 -28.945 -6.877 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.298 -28.601 -5.239 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.512 -32.332 -3.089 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.149 -32.661 -4.718 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.734 -31.602 -4.513 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.071 -28.832 -7.309 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.404 -28.263 -8.585 1.00 13.24 C ATOM 1262 C GLU A 82 -7.188 -26.965 -8.394 1.00 5.44 C ATOM 1263 O GLU A 82 -6.820 -25.917 -8.931 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.222 -29.295 -9.361 1.00 73.20 C ATOM 1265 CG GLU A 82 -7.714 -28.808 -10.703 1.00 75.31 C ATOM 1266 CD GLU A 82 -6.594 -28.648 -11.720 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -6.249 -29.643 -12.398 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -6.036 -27.541 -11.838 1.00 14.40 O ATOM 0 H GLU A 82 -6.486 -29.749 -7.145 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.501 -28.017 -9.144 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.614 -30.187 -9.511 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -8.080 -29.592 -8.757 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -8.453 -29.510 -11.090 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.220 -27.851 -10.574 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.246 -27.044 -7.590 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.120 -25.901 -7.337 1.00 64.02 C ATOM 1277 C ARG A 83 -8.341 -24.728 -6.750 1.00 23.45 C ATOM 1278 O ARG A 83 -8.445 -23.600 -7.235 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.259 -26.295 -6.390 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.199 -27.350 -6.959 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.310 -27.706 -5.979 1.00 70.23 C ATOM 1282 NE ARG A 83 -13.191 -28.743 -6.514 1.00 52.13 N ATOM 1283 CZ ARG A 83 -14.397 -29.032 -6.031 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -14.890 -28.346 -5.002 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -15.112 -30.004 -6.585 1.00 32.14 N ATOM 0 H ARG A 83 -8.520 -27.895 -7.099 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.541 -25.589 -8.293 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -9.832 -26.668 -5.459 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -10.836 -25.404 -6.142 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.637 -26.984 -7.887 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -10.631 -28.247 -7.206 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -11.872 -28.049 -5.041 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.894 -26.814 -5.751 1.00 70.23 H new ATOM 0 HE ARG A 83 -12.858 -29.283 -7.313 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -14.343 -27.595 -4.580 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -15.815 -28.571 -4.635 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -14.736 -30.525 -7.377 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -16.037 -30.229 -6.218 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.555 -24.997 -5.716 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.824 -23.939 -5.033 1.00 41.51 C ATOM 1301 C VAL A 84 -5.784 -23.308 -5.964 1.00 42.42 C ATOM 1302 O VAL A 84 -5.735 -22.090 -6.110 1.00 71.31 O ATOM 1303 CB VAL A 84 -6.159 -24.440 -3.720 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -5.050 -25.453 -3.998 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.634 -23.267 -2.894 1.00 65.02 C ATOM 0 H VAL A 84 -7.408 -25.931 -5.334 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.549 -23.175 -4.754 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.927 -24.951 -3.139 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.610 -25.779 -3.055 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.466 -26.314 -4.521 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.281 -24.990 -4.616 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -5.173 -23.643 -1.980 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.893 -22.716 -3.474 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.460 -22.604 -2.637 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.980 -24.138 -6.628 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.907 -23.634 -7.481 1.00 63.21 C ATOM 1317 C ARG A 85 -4.464 -22.785 -8.622 1.00 31.04 C ATOM 1318 O ARG A 85 -3.941 -21.706 -8.910 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.052 -24.787 -8.027 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.722 -25.628 -9.111 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.811 -26.746 -9.604 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.445 -27.545 -10.652 1.00 64.53 N ATOM 1323 CZ ARG A 85 -2.859 -28.563 -11.284 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.616 -28.926 -10.983 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -3.528 -29.224 -12.215 1.00 44.23 N ATOM 0 H ARG A 85 -5.051 -25.155 -6.592 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.267 -22.997 -6.870 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.126 -24.375 -8.428 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.778 -25.440 -7.199 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.645 -26.057 -8.720 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.998 -24.988 -9.949 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -1.884 -26.317 -9.985 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.543 -27.391 -8.767 1.00 12.03 H new ATOM 0 HE ARG A 85 -4.401 -27.308 -10.918 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.099 -28.424 -10.261 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -1.180 -29.706 -11.474 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -4.484 -28.954 -12.445 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.087 -30.004 -12.703 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.536 -23.257 -9.261 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.150 -22.510 -10.363 1.00 61.13 C ATOM 1341 C ARG A 86 -6.788 -21.221 -9.842 1.00 43.24 C ATOM 1342 O ARG A 86 -6.863 -20.220 -10.557 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.190 -23.357 -11.116 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.435 -23.701 -10.303 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.489 -24.413 -11.148 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.983 -23.556 -12.230 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.853 -23.946 -13.165 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.337 -25.182 -13.161 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -11.245 -23.091 -14.101 1.00 54.51 N ATOM 0 H ARG A 86 -5.993 -24.141 -9.039 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.360 -22.255 -11.069 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.495 -22.820 -12.014 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.718 -24.283 -11.443 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.155 -24.335 -9.462 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -8.860 -22.788 -9.886 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -9.064 -25.324 -11.570 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.322 -24.715 -10.513 1.00 34.11 H new ATOM 0 HE ARG A 86 -9.639 -22.597 -12.271 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -11.045 -25.842 -12.440 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -12.001 -25.472 -13.879 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -10.882 -22.138 -14.105 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -11.909 -23.387 -14.816 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.239 -21.258 -8.591 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.841 -20.090 -7.946 1.00 5.31 C ATOM 1365 C HIS A 87 -6.763 -19.063 -7.594 1.00 35.45 C ATOM 1366 O HIS A 87 -6.998 -17.856 -7.630 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.602 -20.528 -6.684 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.339 -19.422 -5.992 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.639 -19.078 -6.296 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.957 -18.592 -4.996 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -11.020 -18.081 -5.519 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -10.019 -17.769 -4.721 1.00 10.01 N ATOM 0 H HIS A 87 -7.199 -22.088 -7.999 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.544 -19.624 -8.637 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.313 -21.308 -6.955 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.895 -20.971 -5.983 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.994 -18.579 -4.507 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.988 -17.602 -5.535 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -10.032 -17.034 -4.013 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.583 -19.562 -7.239 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.430 -18.715 -6.929 1.00 61.31 C ATOM 1383 C LEU A 88 -3.823 -18.132 -8.207 1.00 10.22 C ATOM 1384 O LEU A 88 -3.315 -17.003 -8.212 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.380 -19.531 -6.152 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.593 -19.626 -4.623 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -3.074 -18.368 -3.927 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -5.064 -19.842 -4.270 1.00 1.22 C ATOM 0 H LEU A 88 -5.397 -20.562 -7.157 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.763 -17.883 -6.308 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.359 -20.542 -6.560 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.399 -19.093 -6.336 1.00 25.40 H new ATOM 0 HG LEU A 88 -3.029 -20.490 -4.272 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.233 -18.455 -2.852 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -2.009 -18.254 -4.128 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.609 -17.497 -4.304 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.173 -19.904 -3.187 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.655 -19.008 -4.647 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.415 -20.769 -4.723 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.894 -18.907 -9.288 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.375 -18.486 -10.589 1.00 61.34 C ATOM 1402 C ALA A 89 -4.073 -17.213 -11.070 1.00 73.12 C ATOM 1403 O ALA A 89 -3.540 -16.471 -11.901 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.534 -19.606 -11.613 1.00 24.15 C ATOM 0 H ALA A 89 -4.310 -19.838 -9.288 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.313 -18.266 -10.478 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.143 -19.277 -12.576 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -2.983 -20.485 -11.279 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.590 -19.857 -11.717 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.270 -16.974 -10.538 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.038 -15.776 -10.857 1.00 63.34 C ATOM 1412 C LEU A 90 -5.327 -14.532 -10.335 1.00 72.14 C ATOM 1413 O LEU A 90 -5.331 -13.485 -10.982 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.445 -15.871 -10.257 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.297 -17.050 -10.755 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.662 -17.065 -10.067 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.449 -17.000 -12.276 1.00 12.44 C ATOM 0 H LEU A 90 -5.731 -17.601 -9.879 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.123 -15.699 -11.941 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.355 -15.942 -9.173 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.977 -14.944 -10.473 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.783 -17.976 -10.496 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.246 -17.908 -10.436 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.526 -17.162 -8.990 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.189 -16.136 -10.284 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.055 -17.843 -12.609 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.935 -16.068 -12.563 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.465 -17.054 -12.742 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.715 -14.659 -9.159 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.914 -13.577 -8.588 1.00 44.25 C ATOM 1431 C GLN A 91 -2.570 -13.528 -9.302 1.00 0.14 C ATOM 1432 O GLN A 91 -2.022 -12.456 -9.572 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.697 -13.772 -7.077 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.949 -13.592 -6.231 1.00 12.45 C ATOM 1435 CD GLN A 91 -6.004 -14.620 -6.562 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.912 -14.373 -7.350 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.859 -15.803 -6.005 1.00 3.21 N ATOM 0 H GLN A 91 -4.758 -15.500 -8.583 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.450 -12.638 -8.726 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.299 -14.772 -6.906 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.940 -13.065 -6.737 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.688 -13.667 -5.175 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.354 -12.592 -6.389 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -5.091 -15.970 -5.355 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.514 -16.553 -6.224 1.00 3.21 H new ATOM 1446 N GLY A 92 -2.060 -14.714 -9.612 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.794 -14.840 -10.310 1.00 34.23 C ATOM 1448 C GLY A 92 -0.209 -16.223 -10.138 1.00 75.14 C ATOM 1449 O GLY A 92 -0.771 -17.049 -9.417 1.00 41.34 O ATOM 0 H GLY A 92 -2.508 -15.603 -9.389 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.938 -14.633 -11.370 1.00 34.23 H new ATOM 0 HA3 GLY A 92 -0.092 -14.096 -9.933 1.00 34.23 H new ATOM 1453 N TRP A 93 0.917 -16.484 -10.789 1.00 61.24 N ATOM 1454 CA TRP A 93 1.578 -17.778 -10.676 1.00 33.44 C ATOM 1455 C TRP A 93 3.098 -17.603 -10.676 1.00 44.25 C ATOM 1456 O TRP A 93 3.771 -17.868 -11.676 1.00 71.23 O ATOM 1457 CB TRP A 93 1.130 -18.709 -11.812 1.00 43.23 C ATOM 1458 CG TRP A 93 1.533 -20.145 -11.613 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.644 -20.768 -12.103 1.00 31.35 C ATOM 1460 CD2 TRP A 93 0.817 -21.135 -10.867 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.658 -22.085 -11.716 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.549 -22.335 -10.956 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.371 -21.122 -10.134 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.130 -23.507 -10.341 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.786 -22.286 -9.523 1.00 15.35 C ATOM 1466 CH2 TRP A 93 -0.037 -23.466 -9.627 1.00 55.20 C ATOM 0 H TRP A 93 1.391 -15.819 -11.400 1.00 61.24 H new ATOM 0 HA TRP A 93 1.291 -18.236 -9.730 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.045 -18.655 -11.907 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.551 -18.350 -12.751 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.403 -20.293 -12.708 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.378 -22.766 -11.956 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.954 -20.217 -10.047 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.704 -24.418 -10.423 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.704 -22.289 -8.954 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.388 -24.361 -9.134 1.00 55.20 H new ATOM 1477 N PRO A 94 3.658 -17.120 -9.553 1.00 44.24 N ATOM 1478 CA PRO A 94 5.109 -16.965 -9.397 1.00 44.31 C ATOM 1479 C PRO A 94 5.804 -18.320 -9.262 1.00 13.14 C ATOM 1480 O PRO A 94 7.012 -18.445 -9.458 1.00 65.31 O ATOM 1481 CB PRO A 94 5.259 -16.143 -8.098 1.00 70.01 C ATOM 1482 CG PRO A 94 3.880 -15.666 -7.757 1.00 24.04 C ATOM 1483 CD PRO A 94 2.930 -16.662 -8.358 1.00 52.13 C ATOM 0 HA PRO A 94 5.567 -16.483 -10.260 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.672 -16.753 -7.294 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.939 -15.303 -8.243 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.746 -15.603 -6.677 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.703 -14.668 -8.159 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.717 -17.483 -7.674 1.00 52.13 H new ATOM 0 HD3 PRO A 94 1.974 -16.206 -8.616 1.00 52.13 H new ATOM 1491 N LEU A 95 5.011 -19.337 -8.950 1.00 20.13 N ATOM 1492 CA LEU A 95 5.516 -20.687 -8.721 1.00 2.45 C ATOM 1493 C LEU A 95 6.055 -21.325 -9.999 1.00 23.05 C ATOM 1494 O LEU A 95 6.603 -22.425 -9.954 1.00 42.11 O ATOM 1495 CB LEU A 95 4.417 -21.569 -8.105 1.00 12.24 C ATOM 1496 CG LEU A 95 4.424 -21.640 -6.569 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.329 -20.246 -5.953 1.00 71.12 C ATOM 1498 CD2 LEU A 95 3.288 -22.527 -6.067 1.00 44.11 C ATOM 0 H LEU A 95 4.000 -19.251 -8.848 1.00 20.13 H new ATOM 0 HA LEU A 95 6.349 -20.609 -8.022 1.00 2.45 H new ATOM 0 HB2 LEU A 95 3.447 -21.195 -8.432 1.00 12.24 H new ATOM 0 HB3 LEU A 95 4.519 -22.580 -8.501 1.00 12.24 H new ATOM 0 HG LEU A 95 5.371 -22.081 -6.258 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.336 -20.327 -4.866 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.179 -19.646 -6.278 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.404 -19.768 -6.275 1.00 71.12 H new ATOM 0 HD21 LEU A 95 3.310 -22.565 -4.978 1.00 44.11 H new ATOM 0 HD22 LEU A 95 2.333 -22.117 -6.397 1.00 44.11 H new ATOM 0 HD23 LEU A 95 3.408 -23.534 -6.467 1.00 44.11 H new