USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 11 ASN : amide:sc= -1.04 X(o=0.19,f=0.56) USER MOD Set 1.2: A 83 THR OG1 : rot -89:sc= 1.23 USER MOD Set 2.1: A 31 SER OG : rot 151:sc= 1.02 USER MOD Set 2.2: A 70 ASN : amide:sc= 0.354 K(o=1.4,f=-1.3) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.764 USER MOD Set 3.2: A 20 LYS NZ :NH3+ -143:sc= 1.27 (180deg=-0.0845) USER MOD Single : A 9 MET CE :methyl 171:sc= -0.257 (180deg=-0.429) USER MOD Single : A 21 THR OG1 : rot -108:sc= 0.869 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.0503 (180deg=-0.283) USER MOD Single : A 27 SER OG : rot -21:sc= 1.2 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 SER OG : rot -90:sc= -0.169 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0758 K(o=-0.076,f=-0.7) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 96:sc= 0.346 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc=-0.00236 X(o=-0.0024,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00834 USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0296) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -130:sc= -0.0627 USER MOD Single : A 86 MET CE :methyl 171:sc= -1.62 (180deg=-1.7) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.514 -13.501 8.467 1.00 35.42 N ATOM 38 CA VAL A 5 -12.207 -12.844 7.380 1.00 42.35 C ATOM 39 C VAL A 5 -13.692 -13.190 7.422 1.00 14.34 C ATOM 40 O VAL A 5 -14.055 -14.358 7.303 1.00 42.42 O ATOM 41 CB VAL A 5 -11.689 -13.288 6.005 1.00 73.50 C ATOM 42 CG1 VAL A 5 -12.133 -12.314 4.933 1.00 45.03 C ATOM 43 CG2 VAL A 5 -10.191 -13.495 5.984 1.00 4.14 C ATOM 0 HA VAL A 5 -12.034 -11.776 7.509 1.00 42.35 H new ATOM 0 HB VAL A 5 -12.130 -14.262 5.792 1.00 73.50 H new ATOM 0 HG11 VAL A 5 -11.757 -12.643 3.964 1.00 45.03 H new ATOM 0 HG12 VAL A 5 -13.222 -12.274 4.906 1.00 45.03 H new ATOM 0 HG13 VAL A 5 -11.739 -11.322 5.157 1.00 45.03 H new ATOM 0 HG21 VAL A 5 -9.881 -13.808 4.987 1.00 4.14 H new ATOM 0 HG22 VAL A 5 -9.691 -12.562 6.243 1.00 4.14 H new ATOM 0 HG23 VAL A 5 -9.920 -14.265 6.707 1.00 4.14 H new ATOM 53 N PRO A 6 -14.563 -12.200 7.595 1.00 51.53 N ATOM 54 CA PRO A 6 -15.995 -12.428 7.590 1.00 14.33 C ATOM 55 C PRO A 6 -16.551 -12.418 6.158 1.00 45.45 C ATOM 56 O PRO A 6 -15.887 -11.956 5.227 1.00 2.33 O ATOM 57 CB PRO A 6 -16.525 -11.223 8.363 1.00 60.03 C ATOM 58 CG PRO A 6 -15.569 -10.122 8.045 1.00 23.54 C ATOM 59 CD PRO A 6 -14.228 -10.776 7.820 1.00 1.00 C ATOM 0 HA PRO A 6 -16.276 -13.391 8.017 1.00 14.33 H new ATOM 0 HB2 PRO A 6 -17.539 -10.969 8.055 1.00 60.03 H new ATOM 0 HB3 PRO A 6 -16.558 -11.422 9.434 1.00 60.03 H new ATOM 0 HG2 PRO A 6 -15.888 -9.574 7.158 1.00 23.54 H new ATOM 0 HG3 PRO A 6 -15.518 -9.403 8.863 1.00 23.54 H new ATOM 0 HD2 PRO A 6 -13.712 -10.346 6.961 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -13.572 -10.651 8.682 1.00 1.00 H new ATOM 67 N ALA A 7 -17.780 -12.872 5.994 1.00 40.30 N ATOM 68 CA ALA A 7 -18.458 -12.904 4.709 1.00 41.51 C ATOM 69 C ALA A 7 -19.060 -11.535 4.407 1.00 33.01 C ATOM 70 O ALA A 7 -20.076 -11.410 3.732 1.00 62.02 O ATOM 71 CB ALA A 7 -19.537 -13.951 4.736 1.00 3.13 C ATOM 0 H ALA A 7 -18.345 -13.235 6.762 1.00 40.30 H new ATOM 0 HA ALA A 7 -17.741 -13.152 3.927 1.00 41.51 H new ATOM 0 HB1 ALA A 7 -20.045 -13.975 3.772 1.00 3.13 H new ATOM 0 HB2 ALA A 7 -19.093 -14.926 4.936 1.00 3.13 H new ATOM 0 HB3 ALA A 7 -20.256 -13.712 5.520 1.00 3.13 H new ATOM 77 N ASP A 8 -18.409 -10.532 4.906 1.00 72.15 N ATOM 78 CA ASP A 8 -18.757 -9.158 4.669 1.00 34.24 C ATOM 79 C ASP A 8 -17.596 -8.454 4.015 1.00 50.21 C ATOM 80 O ASP A 8 -17.775 -7.520 3.222 1.00 63.43 O ATOM 81 CB ASP A 8 -19.103 -8.449 5.989 1.00 42.32 C ATOM 82 CG ASP A 8 -19.309 -6.946 5.828 1.00 53.04 C ATOM 83 OD1 ASP A 8 -20.396 -6.523 5.365 1.00 44.24 O ATOM 84 OD2 ASP A 8 -18.389 -6.168 6.169 1.00 1.55 O ATOM 0 H ASP A 8 -17.594 -10.646 5.509 1.00 72.15 H new ATOM 0 HA ASP A 8 -19.629 -9.127 4.016 1.00 34.24 H new ATOM 0 HB2 ASP A 8 -20.009 -8.891 6.405 1.00 42.32 H new ATOM 0 HB3 ASP A 8 -18.303 -8.625 6.709 1.00 42.32 H new ATOM 89 N MET A 9 -16.396 -8.928 4.302 1.00 20.14 N ATOM 90 CA MET A 9 -15.207 -8.244 3.855 1.00 13.33 C ATOM 91 C MET A 9 -14.367 -9.153 3.008 1.00 42.43 C ATOM 92 O MET A 9 -14.452 -10.382 3.114 1.00 62.11 O ATOM 93 CB MET A 9 -14.366 -7.736 5.050 1.00 23.24 C ATOM 94 CG MET A 9 -15.156 -6.926 6.058 1.00 11.21 C ATOM 95 SD MET A 9 -14.159 -6.107 7.315 1.00 31.41 S ATOM 96 CE MET A 9 -13.330 -4.873 6.309 1.00 12.24 C ATOM 0 H MET A 9 -16.225 -9.778 4.839 1.00 20.14 H new ATOM 0 HA MET A 9 -15.526 -7.386 3.264 1.00 13.33 H new ATOM 0 HB2 MET A 9 -13.919 -8.591 5.557 1.00 23.24 H new ATOM 0 HB3 MET A 9 -13.546 -7.126 4.671 1.00 23.24 H new ATOM 0 HG2 MET A 9 -15.734 -6.172 5.524 1.00 11.21 H new ATOM 0 HG3 MET A 9 -15.870 -7.584 6.553 1.00 11.21 H new ATOM 0 HE1 MET A 9 -12.796 -4.176 6.955 1.00 12.24 H new ATOM 0 HE2 MET A 9 -12.623 -5.364 5.641 1.00 12.24 H new ATOM 0 HE3 MET A 9 -14.068 -4.328 5.720 1.00 12.24 H new ATOM 106 N ILE A 10 -13.577 -8.564 2.170 1.00 3.04 N ATOM 107 CA ILE A 10 -12.685 -9.297 1.346 1.00 15.43 C ATOM 108 C ILE A 10 -11.275 -9.213 1.921 1.00 41.01 C ATOM 109 O ILE A 10 -10.849 -8.158 2.418 1.00 35.33 O ATOM 110 CB ILE A 10 -12.787 -8.862 -0.172 1.00 12.32 C ATOM 111 CG1 ILE A 10 -12.650 -7.357 -0.399 1.00 61.43 C ATOM 112 CG2 ILE A 10 -14.067 -9.323 -0.781 1.00 71.12 C ATOM 113 CD1 ILE A 10 -11.256 -6.829 -0.401 1.00 22.14 C ATOM 0 H ILE A 10 -13.536 -7.553 2.041 1.00 3.04 H new ATOM 0 HA ILE A 10 -12.972 -10.348 1.348 1.00 15.43 H new ATOM 0 HB ILE A 10 -11.938 -9.345 -0.656 1.00 12.32 H new ATOM 0 HG12 ILE A 10 -13.115 -7.108 -1.353 1.00 61.43 H new ATOM 0 HG13 ILE A 10 -13.215 -6.838 0.376 1.00 61.43 H new ATOM 0 HG21 ILE A 10 -14.108 -9.009 -1.824 1.00 71.12 H new ATOM 0 HG22 ILE A 10 -14.125 -10.410 -0.727 1.00 71.12 H new ATOM 0 HG23 ILE A 10 -14.906 -8.887 -0.238 1.00 71.12 H new ATOM 0 HD11 ILE A 10 -11.275 -5.752 -0.570 1.00 22.14 H new ATOM 0 HD12 ILE A 10 -10.787 -7.037 0.561 1.00 22.14 H new ATOM 0 HD13 ILE A 10 -10.686 -7.311 -1.195 1.00 22.14 H new ATOM 125 N ASN A 11 -10.576 -10.316 1.926 1.00 45.34 N ATOM 126 CA ASN A 11 -9.238 -10.330 2.467 1.00 10.31 C ATOM 127 C ASN A 11 -8.286 -10.036 1.358 1.00 14.14 C ATOM 128 O ASN A 11 -8.071 -10.859 0.465 1.00 24.44 O ATOM 129 CB ASN A 11 -8.929 -11.678 3.115 1.00 52.33 C ATOM 130 CG ASN A 11 -7.548 -11.772 3.774 1.00 34.33 C ATOM 131 OD1 ASN A 11 -6.983 -12.845 3.863 1.00 62.23 O ATOM 132 ND2 ASN A 11 -7.001 -10.669 4.227 1.00 2.10 N ATOM 0 H ASN A 11 -10.905 -11.212 1.565 1.00 45.34 H new ATOM 0 HA ASN A 11 -9.141 -9.573 3.245 1.00 10.31 H new ATOM 0 HB2 ASN A 11 -9.690 -11.887 3.867 1.00 52.33 H new ATOM 0 HB3 ASN A 11 -9.008 -12.457 2.356 1.00 52.33 H new ATOM 0 HD21 ASN A 11 -6.081 -10.699 4.666 1.00 2.10 H new ATOM 0 HD22 ASN A 11 -7.496 -9.781 4.140 1.00 2.10 H new ATOM 139 N LEU A 12 -7.745 -8.873 1.394 1.00 24.44 N ATOM 140 CA LEU A 12 -6.914 -8.413 0.350 1.00 43.12 C ATOM 141 C LEU A 12 -5.494 -8.268 0.801 1.00 23.43 C ATOM 142 O LEU A 12 -5.214 -7.710 1.871 1.00 35.43 O ATOM 143 CB LEU A 12 -7.459 -7.083 -0.153 1.00 71.04 C ATOM 144 CG LEU A 12 -6.606 -6.307 -1.148 1.00 44.12 C ATOM 145 CD1 LEU A 12 -6.305 -7.108 -2.397 1.00 54.22 C ATOM 146 CD2 LEU A 12 -7.269 -4.995 -1.478 1.00 51.32 C ATOM 0 H LEU A 12 -7.870 -8.209 2.158 1.00 24.44 H new ATOM 0 HA LEU A 12 -6.916 -9.145 -0.457 1.00 43.12 H new ATOM 0 HB2 LEU A 12 -8.429 -7.269 -0.614 1.00 71.04 H new ATOM 0 HB3 LEU A 12 -7.635 -6.443 0.711 1.00 71.04 H new ATOM 0 HG LEU A 12 -5.643 -6.105 -0.679 1.00 44.12 H new ATOM 0 HD11 LEU A 12 -5.694 -6.511 -3.074 1.00 54.22 H new ATOM 0 HD12 LEU A 12 -5.765 -8.015 -2.126 1.00 54.22 H new ATOM 0 HD13 LEU A 12 -7.239 -7.376 -2.891 1.00 54.22 H new ATOM 0 HD21 LEU A 12 -6.653 -4.445 -2.190 1.00 51.32 H new ATOM 0 HD22 LEU A 12 -8.250 -5.183 -1.915 1.00 51.32 H new ATOM 0 HD23 LEU A 12 -7.384 -4.406 -0.568 1.00 51.32 H new ATOM 158 N ARG A 13 -4.607 -8.777 0.002 1.00 4.12 N ATOM 159 CA ARG A 13 -3.235 -8.605 0.232 1.00 71.52 C ATOM 160 C ARG A 13 -2.705 -7.633 -0.798 1.00 40.11 C ATOM 161 O ARG A 13 -2.787 -7.873 -2.003 1.00 2.31 O ATOM 162 CB ARG A 13 -2.531 -9.944 0.137 1.00 71.54 C ATOM 163 CG ARG A 13 -1.079 -9.914 0.535 1.00 1.24 C ATOM 164 CD ARG A 13 -0.559 -11.312 0.601 1.00 23.13 C ATOM 165 NE ARG A 13 0.834 -11.380 1.015 1.00 24.13 N ATOM 166 CZ ARG A 13 1.576 -12.489 0.992 1.00 63.21 C ATOM 167 NH1 ARG A 13 1.019 -13.657 0.661 1.00 32.13 N ATOM 168 NH2 ARG A 13 2.857 -12.433 1.335 1.00 33.22 N ATOM 0 H ARG A 13 -4.832 -9.324 -0.829 1.00 4.12 H new ATOM 0 HA ARG A 13 -3.055 -8.206 1.230 1.00 71.52 H new ATOM 0 HB2 ARG A 13 -3.054 -10.661 0.770 1.00 71.54 H new ATOM 0 HB3 ARG A 13 -2.607 -10.309 -0.887 1.00 71.54 H new ATOM 0 HG2 ARG A 13 -0.504 -9.333 -0.186 1.00 1.24 H new ATOM 0 HG3 ARG A 13 -0.965 -9.425 1.502 1.00 1.24 H new ATOM 0 HD2 ARG A 13 -1.168 -11.888 1.298 1.00 23.13 H new ATOM 0 HD3 ARG A 13 -0.665 -11.780 -0.378 1.00 23.13 H new ATOM 0 HE ARG A 13 1.274 -10.521 1.346 1.00 24.13 H new ATOM 0 HH11 ARG A 13 0.027 -13.701 0.426 1.00 32.13 H new ATOM 0 HH12 ARG A 13 1.585 -14.505 0.643 1.00 32.13 H new ATOM 0 HH21 ARG A 13 3.272 -11.544 1.615 1.00 33.22 H new ATOM 0 HH22 ARG A 13 3.427 -13.279 1.318 1.00 33.22 H new ATOM 182 N LEU A 14 -2.167 -6.571 -0.310 1.00 71.42 N ATOM 183 CA LEU A 14 -1.628 -5.495 -1.105 1.00 61.41 C ATOM 184 C LEU A 14 -0.127 -5.662 -1.211 1.00 45.43 C ATOM 185 O LEU A 14 0.574 -5.692 -0.189 1.00 12.20 O ATOM 186 CB LEU A 14 -1.947 -4.092 -0.460 1.00 42.24 C ATOM 187 CG LEU A 14 -3.421 -3.649 -0.326 1.00 23.42 C ATOM 188 CD1 LEU A 14 -4.102 -3.540 -1.657 1.00 2.12 C ATOM 189 CD2 LEU A 14 -4.222 -4.519 0.616 1.00 72.45 C ATOM 0 H LEU A 14 -2.081 -6.410 0.694 1.00 71.42 H new ATOM 0 HA LEU A 14 -2.089 -5.532 -2.092 1.00 61.41 H new ATOM 0 HB2 LEU A 14 -1.508 -4.080 0.537 1.00 42.24 H new ATOM 0 HB3 LEU A 14 -1.427 -3.334 -1.046 1.00 42.24 H new ATOM 0 HG LEU A 14 -3.383 -2.654 0.117 1.00 23.42 H new ATOM 0 HD11 LEU A 14 -5.136 -3.226 -1.512 1.00 2.12 H new ATOM 0 HD12 LEU A 14 -3.582 -2.806 -2.272 1.00 2.12 H new ATOM 0 HD13 LEU A 14 -4.084 -4.509 -2.155 1.00 2.12 H new ATOM 0 HD21 LEU A 14 -5.248 -4.154 0.665 1.00 72.45 H new ATOM 0 HD22 LEU A 14 -4.220 -5.547 0.253 1.00 72.45 H new ATOM 0 HD23 LEU A 14 -3.777 -4.484 1.610 1.00 72.45 H new ATOM 201 N ILE A 15 0.377 -5.795 -2.408 1.00 51.20 N ATOM 202 CA ILE A 15 1.797 -5.902 -2.582 1.00 31.11 C ATOM 203 C ILE A 15 2.318 -4.585 -3.088 1.00 11.33 C ATOM 204 O ILE A 15 1.926 -4.135 -4.169 1.00 71.52 O ATOM 205 CB ILE A 15 2.210 -7.022 -3.565 1.00 51.12 C ATOM 206 CG1 ILE A 15 1.571 -8.367 -3.171 1.00 31.34 C ATOM 207 CG2 ILE A 15 3.732 -7.137 -3.588 1.00 21.30 C ATOM 208 CD1 ILE A 15 1.988 -9.533 -4.051 1.00 25.43 C ATOM 0 H ILE A 15 -0.169 -5.831 -3.268 1.00 51.20 H new ATOM 0 HA ILE A 15 2.225 -6.159 -1.613 1.00 31.11 H new ATOM 0 HB ILE A 15 1.851 -6.767 -4.562 1.00 51.12 H new ATOM 0 HG12 ILE A 15 1.834 -8.593 -2.138 1.00 31.34 H new ATOM 0 HG13 ILE A 15 0.486 -8.267 -3.209 1.00 31.34 H new ATOM 0 HG21 ILE A 15 4.027 -7.926 -4.280 1.00 21.30 H new ATOM 0 HG22 ILE A 15 4.164 -6.190 -3.912 1.00 21.30 H new ATOM 0 HG23 ILE A 15 4.094 -7.377 -2.588 1.00 21.30 H new ATOM 0 HD11 ILE A 15 1.495 -10.442 -3.708 1.00 25.43 H new ATOM 0 HD12 ILE A 15 1.700 -9.331 -5.083 1.00 25.43 H new ATOM 0 HD13 ILE A 15 3.069 -9.663 -3.995 1.00 25.43 H new ATOM 220 N LEU A 16 3.177 -3.974 -2.318 1.00 5.00 N ATOM 221 CA LEU A 16 3.736 -2.683 -2.666 1.00 31.33 C ATOM 222 C LEU A 16 4.814 -2.829 -3.732 1.00 5.31 C ATOM 223 O LEU A 16 5.346 -3.926 -3.939 1.00 12.44 O ATOM 224 CB LEU A 16 4.312 -1.999 -1.424 1.00 60.11 C ATOM 225 CG LEU A 16 3.327 -1.724 -0.283 1.00 1.33 C ATOM 226 CD1 LEU A 16 4.041 -1.076 0.887 1.00 31.02 C ATOM 227 CD2 LEU A 16 2.178 -0.840 -0.758 1.00 35.43 C ATOM 0 H LEU A 16 3.513 -4.351 -1.432 1.00 5.00 H new ATOM 0 HA LEU A 16 2.935 -2.064 -3.070 1.00 31.33 H new ATOM 0 HB2 LEU A 16 5.121 -2.618 -1.036 1.00 60.11 H new ATOM 0 HB3 LEU A 16 4.755 -1.051 -1.730 1.00 60.11 H new ATOM 0 HG LEU A 16 2.912 -2.677 0.044 1.00 1.33 H new ATOM 0 HD11 LEU A 16 3.328 -0.887 1.689 1.00 31.02 H new ATOM 0 HD12 LEU A 16 4.825 -1.741 1.248 1.00 31.02 H new ATOM 0 HD13 LEU A 16 4.484 -0.133 0.566 1.00 31.02 H new ATOM 0 HD21 LEU A 16 1.492 -0.659 0.070 1.00 35.43 H new ATOM 0 HD22 LEU A 16 2.574 0.110 -1.116 1.00 35.43 H new ATOM 0 HD23 LEU A 16 1.646 -1.339 -1.568 1.00 35.43 H new ATOM 239 N VAL A 17 5.156 -1.715 -4.371 1.00 71.41 N ATOM 240 CA VAL A 17 6.141 -1.676 -5.466 1.00 11.22 C ATOM 241 C VAL A 17 7.518 -2.219 -5.057 1.00 54.41 C ATOM 242 O VAL A 17 8.254 -2.730 -5.889 1.00 15.32 O ATOM 243 CB VAL A 17 6.294 -0.242 -6.061 1.00 52.03 C ATOM 244 CG1 VAL A 17 4.985 0.226 -6.663 1.00 13.21 C ATOM 245 CG2 VAL A 17 6.762 0.749 -5.001 1.00 73.45 C ATOM 0 H VAL A 17 4.759 -0.802 -4.148 1.00 71.41 H new ATOM 0 HA VAL A 17 5.741 -2.336 -6.236 1.00 11.22 H new ATOM 0 HB VAL A 17 7.050 -0.288 -6.845 1.00 52.03 H new ATOM 0 HG11 VAL A 17 5.111 1.228 -7.073 1.00 13.21 H new ATOM 0 HG12 VAL A 17 4.686 -0.457 -7.458 1.00 13.21 H new ATOM 0 HG13 VAL A 17 4.215 0.244 -5.891 1.00 13.21 H new ATOM 0 HG21 VAL A 17 6.859 1.739 -5.446 1.00 73.45 H new ATOM 0 HG22 VAL A 17 6.034 0.785 -4.190 1.00 73.45 H new ATOM 0 HG23 VAL A 17 7.728 0.432 -4.607 1.00 73.45 H new ATOM 255 N SER A 18 7.844 -2.127 -3.781 1.00 0.00 N ATOM 256 CA SER A 18 9.124 -2.604 -3.289 1.00 11.22 C ATOM 257 C SER A 18 9.132 -4.133 -3.157 1.00 13.11 C ATOM 258 O SER A 18 10.193 -4.748 -3.046 1.00 75.43 O ATOM 259 CB SER A 18 9.439 -1.957 -1.933 1.00 53.34 C ATOM 260 OG SER A 18 10.718 -2.353 -1.444 1.00 31.34 O ATOM 0 H SER A 18 7.239 -1.725 -3.065 1.00 0.00 H new ATOM 0 HA SER A 18 9.892 -2.322 -4.010 1.00 11.22 H new ATOM 0 HB2 SER A 18 9.407 -0.872 -2.031 1.00 53.34 H new ATOM 0 HB3 SER A 18 8.671 -2.234 -1.210 1.00 53.34 H new ATOM 0 HG SER A 18 10.886 -1.921 -0.580 1.00 31.34 H new ATOM 266 N GLY A 19 7.963 -4.744 -3.172 1.00 40.00 N ATOM 267 CA GLY A 19 7.893 -6.176 -2.980 1.00 34.14 C ATOM 268 C GLY A 19 7.487 -6.536 -1.565 1.00 62.22 C ATOM 269 O GLY A 19 7.485 -7.707 -1.190 1.00 42.43 O ATOM 0 H GLY A 19 7.065 -4.280 -3.312 1.00 40.00 H new ATOM 0 HA2 GLY A 19 7.177 -6.602 -3.683 1.00 34.14 H new ATOM 0 HA3 GLY A 19 8.863 -6.620 -3.204 1.00 34.14 H new ATOM 273 N LYS A 20 7.150 -5.528 -0.771 1.00 72.33 N ATOM 274 CA LYS A 20 6.691 -5.771 0.585 1.00 34.50 C ATOM 275 C LYS A 20 5.201 -6.016 0.540 1.00 72.42 C ATOM 276 O LYS A 20 4.460 -5.253 -0.096 1.00 53.33 O ATOM 277 CB LYS A 20 6.994 -4.590 1.551 1.00 11.40 C ATOM 278 CG LYS A 20 8.425 -4.466 2.187 1.00 61.05 C ATOM 279 CD LYS A 20 9.599 -4.151 1.230 1.00 23.41 C ATOM 280 CE LYS A 20 10.025 -5.321 0.366 1.00 33.23 C ATOM 281 NZ LYS A 20 11.202 -4.983 -0.475 1.00 11.30 N ATOM 0 H LYS A 20 7.186 -4.545 -1.041 1.00 72.33 H new ATOM 0 HA LYS A 20 7.229 -6.636 0.973 1.00 34.50 H new ATOM 0 HB2 LYS A 20 6.794 -3.665 1.010 1.00 11.40 H new ATOM 0 HB3 LYS A 20 6.275 -4.643 2.369 1.00 11.40 H new ATOM 0 HG2 LYS A 20 8.390 -3.686 2.947 1.00 61.05 H new ATOM 0 HG3 LYS A 20 8.649 -5.401 2.700 1.00 61.05 H new ATOM 0 HD2 LYS A 20 9.314 -3.321 0.584 1.00 23.41 H new ATOM 0 HD3 LYS A 20 10.454 -3.818 1.818 1.00 23.41 H new ATOM 0 HE2 LYS A 20 10.264 -6.174 1.001 1.00 33.23 H new ATOM 0 HE3 LYS A 20 9.195 -5.622 -0.273 1.00 33.23 H new ATOM 0 HZ1 LYS A 20 11.107 -5.440 -1.405 1.00 11.30 H new ATOM 0 HZ2 LYS A 20 11.255 -3.952 -0.600 1.00 11.30 H new ATOM 0 HZ3 LYS A 20 12.069 -5.321 -0.010 1.00 11.30 H new ATOM 295 N THR A 21 4.756 -7.063 1.184 1.00 70.33 N ATOM 296 CA THR A 21 3.376 -7.421 1.117 1.00 24.55 C ATOM 297 C THR A 21 2.653 -7.116 2.424 1.00 70.44 C ATOM 298 O THR A 21 3.147 -7.424 3.510 1.00 45.45 O ATOM 299 CB THR A 21 3.194 -8.922 0.750 1.00 71.32 C ATOM 300 OG1 THR A 21 3.743 -9.770 1.771 1.00 40.31 O ATOM 301 CG2 THR A 21 3.892 -9.254 -0.554 1.00 61.13 C ATOM 0 H THR A 21 5.333 -7.678 1.758 1.00 70.33 H new ATOM 0 HA THR A 21 2.932 -6.814 0.328 1.00 24.55 H new ATOM 0 HB THR A 21 2.122 -9.095 0.653 1.00 71.32 H new ATOM 0 HG1 THR A 21 4.566 -10.188 1.441 1.00 40.31 H new ATOM 0 HG21 THR A 21 3.748 -10.309 -0.785 1.00 61.13 H new ATOM 0 HG22 THR A 21 3.473 -8.646 -1.356 1.00 61.13 H new ATOM 0 HG23 THR A 21 4.958 -9.045 -0.460 1.00 61.13 H new ATOM 309 N LYS A 22 1.512 -6.497 2.309 1.00 10.31 N ATOM 310 CA LYS A 22 0.648 -6.198 3.458 1.00 32.11 C ATOM 311 C LYS A 22 -0.703 -6.828 3.221 1.00 34.41 C ATOM 312 O LYS A 22 -1.192 -6.802 2.113 1.00 5.25 O ATOM 313 CB LYS A 22 0.454 -4.669 3.669 1.00 3.25 C ATOM 314 CG LYS A 22 1.635 -3.879 4.274 1.00 14.30 C ATOM 315 CD LYS A 22 2.895 -3.890 3.419 1.00 33.42 C ATOM 316 CE LYS A 22 4.003 -3.064 4.070 1.00 23.41 C ATOM 317 NZ LYS A 22 4.352 -3.555 5.425 1.00 62.35 N ATOM 0 H LYS A 22 1.136 -6.176 1.417 1.00 10.31 H new ATOM 0 HA LYS A 22 1.127 -6.600 4.351 1.00 32.11 H new ATOM 0 HB2 LYS A 22 0.210 -4.224 2.704 1.00 3.25 H new ATOM 0 HB3 LYS A 22 -0.413 -4.525 4.314 1.00 3.25 H new ATOM 0 HG2 LYS A 22 1.324 -2.846 4.431 1.00 14.30 H new ATOM 0 HG3 LYS A 22 1.871 -4.293 5.254 1.00 14.30 H new ATOM 0 HD2 LYS A 22 3.235 -4.916 3.279 1.00 33.42 H new ATOM 0 HD3 LYS A 22 2.672 -3.490 2.430 1.00 33.42 H new ATOM 0 HE2 LYS A 22 4.890 -3.089 3.438 1.00 23.41 H new ATOM 0 HE3 LYS A 22 3.687 -2.023 4.134 1.00 23.41 H new ATOM 0 HZ1 LYS A 22 5.251 -3.128 5.728 1.00 62.35 H new ATOM 0 HZ2 LYS A 22 3.600 -3.292 6.094 1.00 62.35 H new ATOM 0 HZ3 LYS A 22 4.450 -4.590 5.405 1.00 62.35 H new ATOM 331 N GLU A 23 -1.306 -7.399 4.227 1.00 31.02 N ATOM 332 CA GLU A 23 -2.604 -7.999 4.034 1.00 43.14 C ATOM 333 C GLU A 23 -3.540 -7.523 5.133 1.00 31.54 C ATOM 334 O GLU A 23 -3.194 -7.581 6.316 1.00 25.24 O ATOM 335 CB GLU A 23 -2.471 -9.508 4.092 1.00 33.44 C ATOM 336 CG GLU A 23 -3.671 -10.264 3.596 1.00 42.11 C ATOM 337 CD GLU A 23 -3.551 -11.725 3.893 1.00 71.21 C ATOM 338 OE1 GLU A 23 -2.924 -12.472 3.099 1.00 23.31 O ATOM 339 OE2 GLU A 23 -4.046 -12.155 4.949 1.00 3.25 O ATOM 0 H GLU A 23 -0.931 -7.463 5.173 1.00 31.02 H new ATOM 0 HA GLU A 23 -3.007 -7.710 3.063 1.00 43.14 H new ATOM 0 HB2 GLU A 23 -1.603 -9.805 3.504 1.00 33.44 H new ATOM 0 HB3 GLU A 23 -2.274 -9.802 5.123 1.00 33.44 H new ATOM 0 HG2 GLU A 23 -4.572 -9.868 4.064 1.00 42.11 H new ATOM 0 HG3 GLU A 23 -3.778 -10.116 2.521 1.00 42.11 H new ATOM 346 N PHE A 24 -4.703 -7.047 4.745 1.00 30.04 N ATOM 347 CA PHE A 24 -5.700 -6.523 5.676 1.00 42.21 C ATOM 348 C PHE A 24 -7.098 -6.810 5.175 1.00 13.44 C ATOM 349 O PHE A 24 -7.291 -7.128 3.990 1.00 4.54 O ATOM 350 CB PHE A 24 -5.540 -5.005 5.913 1.00 43.43 C ATOM 351 CG PHE A 24 -4.263 -4.582 6.595 1.00 62.12 C ATOM 352 CD1 PHE A 24 -4.162 -4.606 7.977 1.00 62.33 C ATOM 353 CD2 PHE A 24 -3.172 -4.155 5.855 1.00 12.45 C ATOM 354 CE1 PHE A 24 -2.996 -4.213 8.606 1.00 65.41 C ATOM 355 CE2 PHE A 24 -2.006 -3.765 6.479 1.00 21.04 C ATOM 356 CZ PHE A 24 -1.917 -3.794 7.856 1.00 61.44 C ATOM 0 H PHE A 24 -4.993 -7.009 3.768 1.00 30.04 H new ATOM 0 HA PHE A 24 -5.538 -7.030 6.627 1.00 42.21 H new ATOM 0 HB2 PHE A 24 -5.602 -4.497 4.951 1.00 43.43 H new ATOM 0 HB3 PHE A 24 -6.382 -4.658 6.512 1.00 43.43 H new ATOM 0 HD1 PHE A 24 -5.003 -4.935 8.569 1.00 62.33 H new ATOM 0 HD2 PHE A 24 -3.236 -4.127 4.777 1.00 12.45 H new ATOM 0 HE1 PHE A 24 -2.930 -4.234 9.684 1.00 65.41 H new ATOM 0 HE2 PHE A 24 -1.162 -3.437 5.890 1.00 21.04 H new ATOM 0 HZ PHE A 24 -1.004 -3.489 8.345 1.00 61.44 H new ATOM 366 N LEU A 25 -8.065 -6.757 6.059 1.00 32.35 N ATOM 367 CA LEU A 25 -9.444 -6.856 5.645 1.00 32.55 C ATOM 368 C LEU A 25 -9.904 -5.526 5.114 1.00 4.32 C ATOM 369 O LEU A 25 -9.777 -4.500 5.787 1.00 14.52 O ATOM 370 CB LEU A 25 -10.363 -7.231 6.797 1.00 60.43 C ATOM 371 CG LEU A 25 -10.225 -8.604 7.400 1.00 53.02 C ATOM 372 CD1 LEU A 25 -11.249 -8.764 8.513 1.00 31.23 C ATOM 373 CD2 LEU A 25 -10.447 -9.647 6.340 1.00 52.13 C ATOM 0 H LEU A 25 -7.924 -6.647 7.063 1.00 32.35 H new ATOM 0 HA LEU A 25 -9.494 -7.634 4.883 1.00 32.55 H new ATOM 0 HB2 LEU A 25 -10.214 -6.501 7.593 1.00 60.43 H new ATOM 0 HB3 LEU A 25 -11.391 -7.121 6.452 1.00 60.43 H new ATOM 0 HG LEU A 25 -9.223 -8.728 7.810 1.00 53.02 H new ATOM 0 HD11 LEU A 25 -11.155 -9.756 8.954 1.00 31.23 H new ATOM 0 HD12 LEU A 25 -11.075 -8.008 9.279 1.00 31.23 H new ATOM 0 HD13 LEU A 25 -12.252 -8.642 8.105 1.00 31.23 H new ATOM 0 HD21 LEU A 25 -10.346 -10.639 6.779 1.00 52.13 H new ATOM 0 HD22 LEU A 25 -11.448 -9.535 5.923 1.00 52.13 H new ATOM 0 HD23 LEU A 25 -9.708 -9.524 5.548 1.00 52.13 H new ATOM 385 N PHE A 26 -10.427 -5.536 3.937 1.00 21.55 N ATOM 386 CA PHE A 26 -10.988 -4.354 3.345 1.00 62.32 C ATOM 387 C PHE A 26 -12.342 -4.700 2.800 1.00 53.35 C ATOM 388 O PHE A 26 -12.699 -5.887 2.726 1.00 51.33 O ATOM 389 CB PHE A 26 -10.075 -3.761 2.254 1.00 50.44 C ATOM 390 CG PHE A 26 -8.761 -3.207 2.768 1.00 45.20 C ATOM 391 CD1 PHE A 26 -8.709 -1.943 3.335 1.00 45.51 C ATOM 392 CD2 PHE A 26 -7.584 -3.934 2.670 1.00 5.44 C ATOM 393 CE1 PHE A 26 -7.513 -1.418 3.792 1.00 4.54 C ATOM 394 CE2 PHE A 26 -6.396 -3.415 3.125 1.00 11.31 C ATOM 395 CZ PHE A 26 -6.355 -2.159 3.687 1.00 22.11 C ATOM 0 H PHE A 26 -10.482 -6.367 3.347 1.00 21.55 H new ATOM 0 HA PHE A 26 -11.081 -3.580 4.107 1.00 62.32 H new ATOM 0 HB2 PHE A 26 -9.865 -4.534 1.514 1.00 50.44 H new ATOM 0 HB3 PHE A 26 -10.614 -2.965 1.740 1.00 50.44 H new ATOM 0 HD1 PHE A 26 -9.614 -1.360 3.421 1.00 45.51 H new ATOM 0 HD2 PHE A 26 -7.601 -4.920 2.231 1.00 5.44 H new ATOM 0 HE1 PHE A 26 -7.487 -0.431 4.230 1.00 4.54 H new ATOM 0 HE2 PHE A 26 -5.489 -3.996 3.041 1.00 11.31 H new ATOM 0 HZ PHE A 26 -5.419 -1.755 4.044 1.00 22.11 H new ATOM 405 N SER A 27 -13.111 -3.733 2.444 1.00 23.42 N ATOM 406 CA SER A 27 -14.396 -4.027 1.940 1.00 53.13 C ATOM 407 C SER A 27 -14.312 -4.082 0.439 1.00 52.43 C ATOM 408 O SER A 27 -13.457 -3.427 -0.159 1.00 1.21 O ATOM 409 CB SER A 27 -15.433 -2.990 2.396 1.00 30.12 C ATOM 410 OG SER A 27 -15.202 -1.704 1.840 1.00 32.42 O ATOM 0 H SER A 27 -12.873 -2.742 2.493 1.00 23.42 H new ATOM 0 HA SER A 27 -14.727 -4.989 2.331 1.00 53.13 H new ATOM 0 HB2 SER A 27 -16.429 -3.330 2.114 1.00 30.12 H new ATOM 0 HB3 SER A 27 -15.417 -2.920 3.484 1.00 30.12 H new ATOM 0 HG SER A 27 -14.268 -1.635 1.551 1.00 32.42 H new ATOM 416 N PRO A 28 -15.174 -4.864 -0.206 1.00 55.20 N ATOM 417 CA PRO A 28 -15.214 -4.958 -1.661 1.00 1.10 C ATOM 418 C PRO A 28 -15.512 -3.601 -2.330 1.00 51.21 C ATOM 419 O PRO A 28 -15.342 -3.448 -3.538 1.00 14.12 O ATOM 420 CB PRO A 28 -16.344 -5.971 -1.914 1.00 33.21 C ATOM 421 CG PRO A 28 -17.152 -5.931 -0.671 1.00 61.42 C ATOM 422 CD PRO A 28 -16.153 -5.760 0.418 1.00 63.33 C ATOM 0 HA PRO A 28 -14.257 -5.262 -2.085 1.00 1.10 H new ATOM 0 HB2 PRO A 28 -16.939 -5.695 -2.785 1.00 33.21 H new ATOM 0 HB3 PRO A 28 -15.949 -6.970 -2.101 1.00 33.21 H new ATOM 0 HG2 PRO A 28 -17.866 -5.107 -0.688 1.00 61.42 H new ATOM 0 HG3 PRO A 28 -17.727 -6.848 -0.542 1.00 61.42 H new ATOM 0 HD2 PRO A 28 -16.595 -5.322 1.313 1.00 63.33 H new ATOM 0 HD3 PRO A 28 -15.707 -6.709 0.715 1.00 63.33 H new ATOM 430 N ASN A 29 -15.923 -2.620 -1.526 1.00 44.10 N ATOM 431 CA ASN A 29 -16.257 -1.293 -2.024 1.00 62.54 C ATOM 432 C ASN A 29 -15.089 -0.321 -1.892 1.00 1.10 C ATOM 433 O ASN A 29 -15.184 0.823 -2.342 1.00 65.25 O ATOM 434 CB ASN A 29 -17.502 -0.719 -1.325 1.00 11.41 C ATOM 435 CG ASN A 29 -18.767 -1.513 -1.598 1.00 70.22 C ATOM 436 OD1 ASN A 29 -18.916 -2.129 -2.652 1.00 43.32 O ATOM 437 ND2 ASN A 29 -19.681 -1.509 -0.659 1.00 72.12 N ATOM 0 H ASN A 29 -16.032 -2.726 -0.517 1.00 44.10 H new ATOM 0 HA ASN A 29 -16.481 -1.412 -3.084 1.00 62.54 H new ATOM 0 HB2 ASN A 29 -17.325 -0.690 -0.250 1.00 11.41 H new ATOM 0 HB3 ASN A 29 -17.651 0.310 -1.651 1.00 11.41 H new ATOM 0 HD21 ASN A 29 -20.549 -2.028 -0.790 1.00 72.12 H new ATOM 0 HD22 ASN A 29 -19.524 -0.987 0.203 1.00 72.12 H new ATOM 444 N ASP A 30 -13.994 -0.754 -1.273 1.00 3.33 N ATOM 445 CA ASP A 30 -12.797 0.111 -1.172 1.00 14.05 C ATOM 446 C ASP A 30 -12.059 0.155 -2.508 1.00 41.13 C ATOM 447 O ASP A 30 -12.174 -0.770 -3.321 1.00 40.43 O ATOM 448 CB ASP A 30 -11.820 -0.320 -0.051 1.00 15.20 C ATOM 449 CG ASP A 30 -12.323 -0.103 1.365 1.00 3.31 C ATOM 450 OD1 ASP A 30 -12.294 1.047 1.856 1.00 32.11 O ATOM 451 OD2 ASP A 30 -12.736 -1.075 2.020 1.00 63.42 O ATOM 0 H ASP A 30 -13.899 -1.673 -0.840 1.00 3.33 H new ATOM 0 HA ASP A 30 -13.161 1.105 -0.911 1.00 14.05 H new ATOM 0 HB2 ASP A 30 -11.589 -1.378 -0.179 1.00 15.20 H new ATOM 0 HB3 ASP A 30 -10.886 0.227 -0.175 1.00 15.20 H new ATOM 456 N SER A 31 -11.330 1.226 -2.752 1.00 71.32 N ATOM 457 CA SER A 31 -10.581 1.359 -3.977 1.00 53.40 C ATOM 458 C SER A 31 -9.190 0.775 -3.778 1.00 61.34 C ATOM 459 O SER A 31 -8.432 1.248 -2.950 1.00 74.11 O ATOM 460 CB SER A 31 -10.493 2.832 -4.403 1.00 72.55 C ATOM 461 OG SER A 31 -9.754 2.983 -5.607 1.00 73.41 O ATOM 0 H SER A 31 -11.243 2.017 -2.114 1.00 71.32 H new ATOM 0 HA SER A 31 -11.091 0.814 -4.771 1.00 53.40 H new ATOM 0 HB2 SER A 31 -11.497 3.233 -4.539 1.00 72.55 H new ATOM 0 HB3 SER A 31 -10.022 3.413 -3.610 1.00 72.55 H new ATOM 0 HG SER A 31 -10.076 3.771 -6.092 1.00 73.41 H new ATOM 467 N ALA A 32 -8.872 -0.243 -4.557 1.00 61.02 N ATOM 468 CA ALA A 32 -7.603 -0.987 -4.470 1.00 51.05 C ATOM 469 C ALA A 32 -6.364 -0.074 -4.483 1.00 75.01 C ATOM 470 O ALA A 32 -5.424 -0.289 -3.718 1.00 21.24 O ATOM 471 CB ALA A 32 -7.533 -1.925 -5.639 1.00 31.44 C ATOM 0 H ALA A 32 -9.493 -0.592 -5.287 1.00 61.02 H new ATOM 0 HA ALA A 32 -7.592 -1.519 -3.518 1.00 51.05 H new ATOM 0 HB1 ALA A 32 -6.601 -2.489 -5.598 1.00 31.44 H new ATOM 0 HB2 ALA A 32 -8.376 -2.615 -5.603 1.00 31.44 H new ATOM 0 HB3 ALA A 32 -7.571 -1.354 -6.567 1.00 31.44 H new ATOM 477 N SER A 33 -6.370 0.939 -5.330 1.00 55.02 N ATOM 478 CA SER A 33 -5.217 1.814 -5.444 1.00 30.20 C ATOM 479 C SER A 33 -5.178 2.799 -4.264 1.00 33.21 C ATOM 480 O SER A 33 -4.106 3.175 -3.779 1.00 22.32 O ATOM 481 CB SER A 33 -5.228 2.543 -6.785 1.00 13.41 C ATOM 482 OG SER A 33 -4.030 3.268 -6.979 1.00 12.23 O ATOM 0 H SER A 33 -7.151 1.175 -5.943 1.00 55.02 H new ATOM 0 HA SER A 33 -4.310 1.211 -5.406 1.00 30.20 H new ATOM 0 HB2 SER A 33 -5.356 1.823 -7.593 1.00 13.41 H new ATOM 0 HB3 SER A 33 -6.079 3.223 -6.826 1.00 13.41 H new ATOM 0 HG SER A 33 -4.134 4.174 -6.621 1.00 12.23 H new ATOM 488 N ASP A 34 -6.354 3.178 -3.784 1.00 34.11 N ATOM 489 CA ASP A 34 -6.468 4.050 -2.612 1.00 23.11 C ATOM 490 C ASP A 34 -5.959 3.273 -1.400 1.00 70.55 C ATOM 491 O ASP A 34 -5.274 3.811 -0.514 1.00 75.32 O ATOM 492 CB ASP A 34 -7.935 4.454 -2.409 1.00 20.23 C ATOM 493 CG ASP A 34 -8.165 5.407 -1.250 1.00 11.14 C ATOM 494 OD1 ASP A 34 -8.062 6.646 -1.443 1.00 63.43 O ATOM 495 OD2 ASP A 34 -8.504 4.934 -0.142 1.00 65.23 O ATOM 0 H ASP A 34 -7.248 2.897 -4.186 1.00 34.11 H new ATOM 0 HA ASP A 34 -5.880 4.958 -2.748 1.00 23.11 H new ATOM 0 HB2 ASP A 34 -8.302 4.918 -3.324 1.00 20.23 H new ATOM 0 HB3 ASP A 34 -8.529 3.554 -2.248 1.00 20.23 H new ATOM 500 N ILE A 35 -6.274 1.980 -1.399 1.00 45.11 N ATOM 501 CA ILE A 35 -5.824 1.065 -0.378 1.00 54.45 C ATOM 502 C ILE A 35 -4.302 0.927 -0.412 1.00 13.32 C ATOM 503 O ILE A 35 -3.677 0.848 0.621 1.00 3.13 O ATOM 504 CB ILE A 35 -6.451 -0.338 -0.528 1.00 3.12 C ATOM 505 CG1 ILE A 35 -7.967 -0.291 -0.425 1.00 63.44 C ATOM 506 CG2 ILE A 35 -5.905 -1.252 0.526 1.00 64.31 C ATOM 507 CD1 ILE A 35 -8.612 -1.641 -0.619 1.00 60.52 C ATOM 0 H ILE A 35 -6.854 1.544 -2.116 1.00 45.11 H new ATOM 0 HA ILE A 35 -6.144 1.486 0.575 1.00 54.45 H new ATOM 0 HB ILE A 35 -6.193 -0.714 -1.518 1.00 3.12 H new ATOM 0 HG12 ILE A 35 -8.247 0.103 0.552 1.00 63.44 H new ATOM 0 HG13 ILE A 35 -8.355 0.402 -1.171 1.00 63.44 H new ATOM 0 HG21 ILE A 35 -6.350 -2.241 0.416 1.00 64.31 H new ATOM 0 HG22 ILE A 35 -4.823 -1.327 0.418 1.00 64.31 H new ATOM 0 HG23 ILE A 35 -6.144 -0.854 1.512 1.00 64.31 H new ATOM 0 HD11 ILE A 35 -9.694 -1.543 -0.534 1.00 60.52 H new ATOM 0 HD12 ILE A 35 -8.359 -2.027 -1.607 1.00 60.52 H new ATOM 0 HD13 ILE A 35 -8.249 -2.330 0.143 1.00 60.52 H new ATOM 519 N ALA A 36 -3.723 0.882 -1.605 1.00 44.30 N ATOM 520 CA ALA A 36 -2.266 0.811 -1.773 1.00 52.52 C ATOM 521 C ALA A 36 -1.559 1.925 -1.001 1.00 52.10 C ATOM 522 O ALA A 36 -0.505 1.710 -0.400 1.00 54.24 O ATOM 523 CB ALA A 36 -1.902 0.886 -3.240 1.00 24.41 C ATOM 0 H ALA A 36 -4.242 0.893 -2.483 1.00 44.30 H new ATOM 0 HA ALA A 36 -1.932 -0.144 -1.369 1.00 52.52 H new ATOM 0 HB1 ALA A 36 -0.819 0.832 -3.349 1.00 24.41 H new ATOM 0 HB2 ALA A 36 -2.362 0.053 -3.772 1.00 24.41 H new ATOM 0 HB3 ALA A 36 -2.262 1.827 -3.657 1.00 24.41 H new ATOM 529 N LYS A 37 -2.153 3.104 -1.007 1.00 12.04 N ATOM 530 CA LYS A 37 -1.600 4.235 -0.288 1.00 1.35 C ATOM 531 C LYS A 37 -1.826 3.971 1.237 1.00 73.23 C ATOM 532 O LYS A 37 -0.951 4.203 2.062 1.00 10.54 O ATOM 533 CB LYS A 37 -2.339 5.517 -0.752 1.00 64.40 C ATOM 534 CG LYS A 37 -1.604 6.891 -0.645 1.00 51.45 C ATOM 535 CD LYS A 37 -1.110 7.279 0.750 1.00 21.10 C ATOM 536 CE LYS A 37 0.282 6.735 1.041 1.00 64.23 C ATOM 537 NZ LYS A 37 0.732 7.108 2.385 1.00 73.33 N ATOM 0 H LYS A 37 -3.021 3.303 -1.504 1.00 12.04 H new ATOM 0 HA LYS A 37 -0.535 4.365 -0.479 1.00 1.35 H new ATOM 0 HB2 LYS A 37 -2.623 5.375 -1.795 1.00 64.40 H new ATOM 0 HB3 LYS A 37 -3.263 5.591 -0.178 1.00 64.40 H new ATOM 0 HG2 LYS A 37 -0.749 6.877 -1.321 1.00 51.45 H new ATOM 0 HG3 LYS A 37 -2.278 7.670 -1.000 1.00 51.45 H new ATOM 0 HD2 LYS A 37 -1.100 8.365 0.840 1.00 21.10 H new ATOM 0 HD3 LYS A 37 -1.808 6.904 1.498 1.00 21.10 H new ATOM 0 HE2 LYS A 37 0.277 5.649 0.946 1.00 64.23 H new ATOM 0 HE3 LYS A 37 0.985 7.117 0.301 1.00 64.23 H new ATOM 0 HZ1 LYS A 37 1.683 6.722 2.552 1.00 73.33 H new ATOM 0 HZ2 LYS A 37 0.759 8.144 2.467 1.00 73.33 H new ATOM 0 HZ3 LYS A 37 0.073 6.722 3.091 1.00 73.33 H new ATOM 551 N HIS A 38 -3.013 3.446 1.559 1.00 14.53 N ATOM 552 CA HIS A 38 -3.424 3.100 2.944 1.00 64.12 C ATOM 553 C HIS A 38 -2.442 2.090 3.574 1.00 35.05 C ATOM 554 O HIS A 38 -1.915 2.318 4.647 1.00 34.14 O ATOM 555 CB HIS A 38 -4.835 2.469 2.905 1.00 15.42 C ATOM 556 CG HIS A 38 -5.464 2.135 4.240 1.00 64.02 C ATOM 557 ND1 HIS A 38 -5.032 1.109 5.067 1.00 71.34 N ATOM 558 CD2 HIS A 38 -6.523 2.688 4.868 1.00 71.54 C ATOM 559 CE1 HIS A 38 -5.808 1.056 6.132 1.00 44.34 C ATOM 560 NE2 HIS A 38 -6.715 2.000 6.038 1.00 25.51 N ATOM 0 H HIS A 38 -3.731 3.243 0.864 1.00 14.53 H new ATOM 0 HA HIS A 38 -3.424 4.009 3.546 1.00 64.12 H new ATOM 0 HB2 HIS A 38 -5.500 3.153 2.377 1.00 15.42 H new ATOM 0 HB3 HIS A 38 -4.783 1.554 2.314 1.00 15.42 H new ATOM 0 HD2 HIS A 38 -7.112 3.521 4.513 1.00 71.54 H new ATOM 0 HE1 HIS A 38 -5.713 0.353 6.946 1.00 44.34 H new ATOM 0 HE2 HIS A 38 -7.445 2.191 6.725 1.00 25.51 H new ATOM 569 N VAL A 39 -2.230 0.979 2.878 1.00 34.23 N ATOM 570 CA VAL A 39 -1.361 -0.107 3.328 1.00 35.23 C ATOM 571 C VAL A 39 0.093 0.284 3.397 1.00 70.43 C ATOM 572 O VAL A 39 0.839 -0.259 4.209 1.00 54.45 O ATOM 573 CB VAL A 39 -1.538 -1.386 2.515 1.00 42.40 C ATOM 574 CG1 VAL A 39 -2.934 -1.937 2.751 1.00 41.31 C ATOM 575 CG2 VAL A 39 -1.328 -1.114 1.059 1.00 75.21 C ATOM 0 H VAL A 39 -2.663 0.803 1.971 1.00 34.23 H new ATOM 0 HA VAL A 39 -1.687 -0.317 4.347 1.00 35.23 H new ATOM 0 HB VAL A 39 -0.798 -2.120 2.833 1.00 42.40 H new ATOM 0 HG11 VAL A 39 -3.067 -2.851 2.173 1.00 41.31 H new ATOM 0 HG12 VAL A 39 -3.064 -2.156 3.811 1.00 41.31 H new ATOM 0 HG13 VAL A 39 -3.674 -1.200 2.439 1.00 41.31 H new ATOM 0 HG21 VAL A 39 -1.458 -2.037 0.494 1.00 75.21 H new ATOM 0 HG22 VAL A 39 -2.053 -0.375 0.719 1.00 75.21 H new ATOM 0 HG23 VAL A 39 -0.319 -0.732 0.902 1.00 75.21 H new ATOM 585 N TYR A 40 0.502 1.204 2.515 1.00 63.14 N ATOM 586 CA TYR A 40 1.872 1.726 2.504 1.00 41.45 C ATOM 587 C TYR A 40 2.299 2.167 3.919 1.00 21.30 C ATOM 588 O TYR A 40 3.427 1.876 4.353 1.00 43.11 O ATOM 589 CB TYR A 40 2.003 2.896 1.508 1.00 14.42 C ATOM 590 CG TYR A 40 3.400 3.478 1.409 1.00 11.14 C ATOM 591 CD1 TYR A 40 4.346 2.922 0.559 1.00 3.43 C ATOM 592 CD2 TYR A 40 3.774 4.580 2.173 1.00 21.44 C ATOM 593 CE1 TYR A 40 5.620 3.445 0.472 1.00 53.43 C ATOM 594 CE2 TYR A 40 5.045 5.105 2.092 1.00 52.20 C ATOM 595 CZ TYR A 40 5.963 4.535 1.241 1.00 52.21 C ATOM 596 OH TYR A 40 7.240 5.055 1.167 1.00 14.43 O ATOM 0 H TYR A 40 -0.101 1.604 1.796 1.00 63.14 H new ATOM 0 HA TYR A 40 2.537 0.926 2.180 1.00 41.45 H new ATOM 0 HB2 TYR A 40 1.694 2.553 0.520 1.00 14.42 H new ATOM 0 HB3 TYR A 40 1.313 3.687 1.802 1.00 14.42 H new ATOM 0 HD1 TYR A 40 4.081 2.066 -0.044 1.00 3.43 H new ATOM 0 HD2 TYR A 40 3.055 5.031 2.841 1.00 21.44 H new ATOM 0 HE1 TYR A 40 6.344 3.002 -0.196 1.00 53.43 H new ATOM 0 HE2 TYR A 40 5.319 5.959 2.693 1.00 52.20 H new ATOM 0 HH TYR A 40 7.316 5.822 1.772 1.00 14.43 H new ATOM 870 N LEU A 58 -2.513 6.399 -9.687 1.00 3.14 N ATOM 871 CA LEU A 58 -3.394 5.388 -9.127 1.00 4.42 C ATOM 872 C LEU A 58 -3.590 4.265 -10.120 1.00 1.05 C ATOM 873 O LEU A 58 -4.346 4.407 -11.084 1.00 14.35 O ATOM 874 CB LEU A 58 -4.790 5.935 -8.702 1.00 64.34 C ATOM 875 CG LEU A 58 -4.874 6.967 -7.557 1.00 21.14 C ATOM 876 CD1 LEU A 58 -4.362 8.328 -7.975 1.00 13.25 C ATOM 877 CD2 LEU A 58 -6.297 7.065 -7.027 1.00 64.54 C ATOM 0 HA LEU A 58 -2.901 5.031 -8.223 1.00 4.42 H new ATOM 0 HB2 LEU A 58 -5.250 6.383 -9.583 1.00 64.34 H new ATOM 0 HB3 LEU A 58 -5.406 5.081 -8.421 1.00 64.34 H new ATOM 0 HG LEU A 58 -4.225 6.614 -6.756 1.00 21.14 H new ATOM 0 HD11 LEU A 58 -4.441 9.020 -7.136 1.00 13.25 H new ATOM 0 HD12 LEU A 58 -3.319 8.246 -8.281 1.00 13.25 H new ATOM 0 HD13 LEU A 58 -4.956 8.700 -8.810 1.00 13.25 H new ATOM 0 HD21 LEU A 58 -6.335 7.797 -6.221 1.00 64.54 H new ATOM 0 HD22 LEU A 58 -6.964 7.375 -7.831 1.00 64.54 H new ATOM 0 HD23 LEU A 58 -6.612 6.092 -6.649 1.00 64.54 H new ATOM 889 N ARG A 59 -2.886 3.175 -9.927 1.00 14.41 N ATOM 890 CA ARG A 59 -3.020 2.008 -10.776 1.00 21.21 C ATOM 891 C ARG A 59 -3.037 0.753 -9.920 1.00 60.04 C ATOM 892 O ARG A 59 -2.418 0.710 -8.854 1.00 54.43 O ATOM 893 CB ARG A 59 -1.884 1.922 -11.823 1.00 65.13 C ATOM 894 CG ARG A 59 -1.825 3.071 -12.824 1.00 31.24 C ATOM 895 CD ARG A 59 -3.114 3.165 -13.620 1.00 35.31 C ATOM 896 NE ARG A 59 -3.108 4.262 -14.593 1.00 12.34 N ATOM 897 CZ ARG A 59 -4.008 5.263 -14.607 1.00 4.52 C ATOM 898 NH1 ARG A 59 -4.799 5.466 -13.559 1.00 73.15 N ATOM 899 NH2 ARG A 59 -4.060 6.099 -15.629 1.00 44.12 N ATOM 0 H ARG A 59 -2.203 3.069 -9.177 1.00 14.41 H new ATOM 0 HA ARG A 59 -3.960 2.096 -11.321 1.00 21.21 H new ATOM 0 HB2 ARG A 59 -0.931 1.873 -11.296 1.00 65.13 H new ATOM 0 HB3 ARG A 59 -1.992 0.988 -12.374 1.00 65.13 H new ATOM 0 HG2 ARG A 59 -1.650 4.009 -12.297 1.00 31.24 H new ATOM 0 HG3 ARG A 59 -0.984 2.925 -13.502 1.00 31.24 H new ATOM 0 HD2 ARG A 59 -3.281 2.224 -14.143 1.00 35.31 H new ATOM 0 HD3 ARG A 59 -3.950 3.300 -12.933 1.00 35.31 H new ATOM 0 HE ARG A 59 -2.376 4.267 -15.304 1.00 12.34 H new ATOM 0 HH11 ARG A 59 -4.726 4.862 -12.740 1.00 73.15 H new ATOM 0 HH12 ARG A 59 -5.480 6.226 -13.573 1.00 73.15 H new ATOM 0 HH21 ARG A 59 -3.416 5.988 -16.412 1.00 44.12 H new ATOM 0 HH22 ARG A 59 -4.744 6.856 -15.635 1.00 44.12 H new ATOM 913 N LEU A 60 -3.746 -0.255 -10.362 1.00 70.41 N ATOM 914 CA LEU A 60 -3.822 -1.491 -9.626 1.00 24.24 C ATOM 915 C LEU A 60 -3.553 -2.657 -10.542 1.00 33.34 C ATOM 916 O LEU A 60 -3.990 -2.657 -11.694 1.00 74.05 O ATOM 917 CB LEU A 60 -5.183 -1.611 -8.880 1.00 5.44 C ATOM 918 CG LEU A 60 -6.476 -1.612 -9.718 1.00 61.24 C ATOM 919 CD1 LEU A 60 -6.752 -2.954 -10.380 1.00 31.01 C ATOM 920 CD2 LEU A 60 -7.653 -1.170 -8.901 1.00 72.14 C ATOM 0 H LEU A 60 -4.280 -0.243 -11.231 1.00 70.41 H new ATOM 0 HA LEU A 60 -3.049 -1.500 -8.857 1.00 24.24 H new ATOM 0 HB2 LEU A 60 -5.163 -2.532 -8.298 1.00 5.44 H new ATOM 0 HB3 LEU A 60 -5.247 -0.786 -8.170 1.00 5.44 H new ATOM 0 HG LEU A 60 -6.320 -0.892 -10.521 1.00 61.24 H new ATOM 0 HD11 LEU A 60 -7.675 -2.893 -10.956 1.00 31.01 H new ATOM 0 HD12 LEU A 60 -5.926 -3.209 -11.044 1.00 31.01 H new ATOM 0 HD13 LEU A 60 -6.852 -3.723 -9.615 1.00 31.01 H new ATOM 0 HD21 LEU A 60 -8.550 -1.181 -9.520 1.00 72.14 H new ATOM 0 HD22 LEU A 60 -7.785 -1.848 -8.058 1.00 72.14 H new ATOM 0 HD23 LEU A 60 -7.480 -0.159 -8.531 1.00 72.14 H new ATOM 932 N ILE A 61 -2.823 -3.616 -10.057 1.00 43.24 N ATOM 933 CA ILE A 61 -2.486 -4.776 -10.827 1.00 53.24 C ATOM 934 C ILE A 61 -3.169 -5.996 -10.233 1.00 3.22 C ATOM 935 O ILE A 61 -2.922 -6.374 -9.077 1.00 43.42 O ATOM 936 CB ILE A 61 -0.960 -5.002 -10.834 1.00 1.42 C ATOM 937 CG1 ILE A 61 -0.248 -3.806 -11.446 1.00 4.14 C ATOM 938 CG2 ILE A 61 -0.604 -6.268 -11.587 1.00 54.51 C ATOM 939 CD1 ILE A 61 1.261 -3.894 -11.402 1.00 24.44 C ATOM 0 H ILE A 61 -2.442 -3.616 -9.111 1.00 43.24 H new ATOM 0 HA ILE A 61 -2.824 -4.621 -11.852 1.00 53.24 H new ATOM 0 HB ILE A 61 -0.630 -5.115 -9.801 1.00 1.42 H new ATOM 0 HG12 ILE A 61 -0.565 -3.701 -12.484 1.00 4.14 H new ATOM 0 HG13 ILE A 61 -0.564 -2.903 -10.923 1.00 4.14 H new ATOM 0 HG21 ILE A 61 0.477 -6.405 -11.578 1.00 54.51 H new ATOM 0 HG22 ILE A 61 -1.082 -7.123 -11.108 1.00 54.51 H new ATOM 0 HG23 ILE A 61 -0.951 -6.188 -12.617 1.00 54.51 H new ATOM 0 HD11 ILE A 61 1.691 -3.002 -11.858 1.00 24.44 H new ATOM 0 HD12 ILE A 61 1.591 -3.967 -10.366 1.00 24.44 H new ATOM 0 HD13 ILE A 61 1.590 -4.777 -11.950 1.00 24.44 H new ATOM 951 N TYR A 62 -3.991 -6.627 -11.002 1.00 21.34 N ATOM 952 CA TYR A 62 -4.680 -7.783 -10.526 1.00 2.21 C ATOM 953 C TYR A 62 -3.990 -8.988 -11.090 1.00 52.14 C ATOM 954 O TYR A 62 -4.441 -9.593 -12.058 1.00 34.12 O ATOM 955 CB TYR A 62 -6.169 -7.730 -10.892 1.00 3.42 C ATOM 956 CG TYR A 62 -7.049 -8.828 -10.301 1.00 30.43 C ATOM 957 CD1 TYR A 62 -7.147 -8.990 -8.934 1.00 61.05 C ATOM 958 CD2 TYR A 62 -7.799 -9.672 -11.115 1.00 30.41 C ATOM 959 CE1 TYR A 62 -7.953 -9.958 -8.380 1.00 45.12 C ATOM 960 CE2 TYR A 62 -8.623 -10.643 -10.568 1.00 50.20 C ATOM 961 CZ TYR A 62 -8.690 -10.784 -9.198 1.00 4.44 C ATOM 962 OH TYR A 62 -9.525 -11.737 -8.642 1.00 31.33 O ATOM 0 H TYR A 62 -4.204 -6.363 -11.964 1.00 21.34 H new ATOM 0 HA TYR A 62 -4.648 -7.829 -9.437 1.00 2.21 H new ATOM 0 HB2 TYR A 62 -6.565 -6.766 -10.575 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -6.256 -7.769 -11.978 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -6.578 -8.342 -8.284 1.00 61.05 H new ATOM 0 HD2 TYR A 62 -7.738 -9.569 -12.188 1.00 30.41 H new ATOM 0 HE1 TYR A 62 -8.007 -10.069 -7.307 1.00 45.12 H new ATOM 0 HE2 TYR A 62 -9.208 -11.284 -11.210 1.00 50.20 H new ATOM 0 HH TYR A 62 -10.437 -11.383 -8.590 1.00 31.33 H new ATOM 972 N GLN A 63 -2.825 -9.244 -10.513 1.00 75.13 N ATOM 973 CA GLN A 63 -1.943 -10.334 -10.869 1.00 20.22 C ATOM 974 C GLN A 63 -1.513 -10.271 -12.340 1.00 43.32 C ATOM 975 O GLN A 63 -2.161 -10.833 -13.224 1.00 51.55 O ATOM 976 CB GLN A 63 -2.554 -11.680 -10.489 1.00 13.41 C ATOM 977 CG GLN A 63 -2.900 -11.772 -9.008 1.00 62.12 C ATOM 978 CD GLN A 63 -3.559 -13.072 -8.625 1.00 63.33 C ATOM 979 OE1 GLN A 63 -2.896 -14.040 -8.263 1.00 60.12 O ATOM 980 NE2 GLN A 63 -4.863 -13.111 -8.705 1.00 41.03 N ATOM 0 H GLN A 63 -2.458 -8.671 -9.753 1.00 75.13 H new ATOM 0 HA GLN A 63 -1.028 -10.224 -10.287 1.00 20.22 H new ATOM 0 HB2 GLN A 63 -3.455 -11.845 -11.079 1.00 13.41 H new ATOM 0 HB3 GLN A 63 -1.855 -12.477 -10.745 1.00 13.41 H new ATOM 0 HG2 GLN A 63 -1.989 -11.649 -8.422 1.00 62.12 H new ATOM 0 HG3 GLN A 63 -3.562 -10.947 -8.746 1.00 62.12 H new ATOM 0 HE21 GLN A 63 -5.380 -12.286 -9.010 1.00 41.03 H new ATOM 0 HE22 GLN A 63 -5.363 -13.966 -8.462 1.00 41.03 H new ATOM 989 N GLY A 64 -0.463 -9.522 -12.595 1.00 23.11 N ATOM 990 CA GLY A 64 0.063 -9.404 -13.931 1.00 21.25 C ATOM 991 C GLY A 64 -0.298 -8.096 -14.627 1.00 22.40 C ATOM 992 O GLY A 64 0.585 -7.345 -15.034 1.00 11.11 O ATOM 0 H GLY A 64 0.043 -8.985 -11.890 1.00 23.11 H new ATOM 0 HA2 GLY A 64 1.148 -9.495 -13.892 1.00 21.25 H new ATOM 0 HA3 GLY A 64 -0.306 -10.236 -14.530 1.00 21.25 H new ATOM 996 N ARG A 65 -1.583 -7.808 -14.732 1.00 40.52 N ATOM 997 CA ARG A 65 -2.060 -6.650 -15.519 1.00 1.24 C ATOM 998 C ARG A 65 -2.793 -5.595 -14.680 1.00 22.41 C ATOM 999 O ARG A 65 -3.378 -5.907 -13.631 1.00 21.52 O ATOM 1000 CB ARG A 65 -2.986 -7.145 -16.638 1.00 2.32 C ATOM 1001 CG ARG A 65 -4.135 -7.997 -16.124 1.00 61.41 C ATOM 1002 CD ARG A 65 -5.044 -8.479 -17.234 1.00 2.52 C ATOM 1003 NE ARG A 65 -6.080 -9.370 -16.701 1.00 74.41 N ATOM 1004 CZ ARG A 65 -7.215 -9.714 -17.315 1.00 41.11 C ATOM 1005 NH1 ARG A 65 -7.502 -9.244 -18.522 1.00 62.51 N ATOM 1006 NH2 ARG A 65 -8.058 -10.547 -16.713 1.00 75.23 N ATOM 0 H ARG A 65 -2.325 -8.350 -14.289 1.00 40.52 H new ATOM 0 HA ARG A 65 -1.175 -6.162 -15.927 1.00 1.24 H new ATOM 0 HB2 ARG A 65 -3.389 -6.286 -17.175 1.00 2.32 H new ATOM 0 HB3 ARG A 65 -2.404 -7.724 -17.355 1.00 2.32 H new ATOM 0 HG2 ARG A 65 -3.733 -8.857 -15.589 1.00 61.41 H new ATOM 0 HG3 ARG A 65 -4.718 -7.419 -15.407 1.00 61.41 H new ATOM 0 HD2 ARG A 65 -5.509 -7.625 -17.727 1.00 2.52 H new ATOM 0 HD3 ARG A 65 -4.459 -9.004 -17.989 1.00 2.52 H new ATOM 0 HE ARG A 65 -5.918 -9.764 -15.774 1.00 74.41 H new ATOM 0 HH11 ARG A 65 -6.853 -8.613 -18.991 1.00 62.51 H new ATOM 0 HH12 ARG A 65 -8.372 -9.514 -18.981 1.00 62.51 H new ATOM 0 HH21 ARG A 65 -7.836 -10.918 -15.789 1.00 75.23 H new ATOM 0 HH22 ARG A 65 -8.927 -10.815 -17.175 1.00 75.23 H new ATOM 1020 N PHE A 66 -2.765 -4.351 -15.165 1.00 74.41 N ATOM 1021 CA PHE A 66 -3.475 -3.234 -14.543 1.00 55.21 C ATOM 1022 C PHE A 66 -4.923 -3.262 -15.013 1.00 14.12 C ATOM 1023 O PHE A 66 -5.179 -3.135 -16.207 1.00 4.43 O ATOM 1024 CB PHE A 66 -2.889 -1.876 -14.983 1.00 72.22 C ATOM 1025 CG PHE A 66 -1.438 -1.623 -14.685 1.00 20.44 C ATOM 1026 CD1 PHE A 66 -1.041 -1.169 -13.447 1.00 35.03 C ATOM 1027 CD2 PHE A 66 -0.478 -1.806 -15.663 1.00 43.53 C ATOM 1028 CE1 PHE A 66 0.289 -0.905 -13.186 1.00 14.21 C ATOM 1029 CE2 PHE A 66 0.852 -1.547 -15.405 1.00 74.04 C ATOM 1030 CZ PHE A 66 1.236 -1.095 -14.166 1.00 32.55 C ATOM 0 H PHE A 66 -2.246 -4.091 -16.004 1.00 74.41 H new ATOM 0 HA PHE A 66 -3.384 -3.338 -13.462 1.00 55.21 H new ATOM 0 HB2 PHE A 66 -3.034 -1.778 -16.059 1.00 72.22 H new ATOM 0 HB3 PHE A 66 -3.473 -1.087 -14.509 1.00 72.22 H new ATOM 0 HD1 PHE A 66 -1.778 -1.018 -12.672 1.00 35.03 H new ATOM 0 HD2 PHE A 66 -0.773 -2.156 -16.641 1.00 43.53 H new ATOM 0 HE1 PHE A 66 0.586 -0.549 -12.211 1.00 14.21 H new ATOM 0 HE2 PHE A 66 1.592 -1.700 -16.177 1.00 74.04 H new ATOM 0 HZ PHE A 66 2.276 -0.890 -13.962 1.00 32.55 H new ATOM 1040 N LEU A 67 -5.864 -3.447 -14.114 1.00 11.51 N ATOM 1041 CA LEU A 67 -7.270 -3.473 -14.540 1.00 52.41 C ATOM 1042 C LEU A 67 -7.853 -2.080 -14.731 1.00 35.32 C ATOM 1043 O LEU A 67 -8.467 -1.794 -15.758 1.00 53.35 O ATOM 1044 CB LEU A 67 -8.150 -4.283 -13.600 1.00 21.23 C ATOM 1045 CG LEU A 67 -7.810 -5.759 -13.442 1.00 52.51 C ATOM 1046 CD1 LEU A 67 -8.807 -6.405 -12.521 1.00 71.11 C ATOM 1047 CD2 LEU A 67 -7.787 -6.472 -14.786 1.00 43.34 C ATOM 0 H LEU A 67 -5.705 -3.579 -13.115 1.00 11.51 H new ATOM 0 HA LEU A 67 -7.264 -3.970 -15.510 1.00 52.41 H new ATOM 0 HB2 LEU A 67 -8.112 -3.818 -12.615 1.00 21.23 H new ATOM 0 HB3 LEU A 67 -9.180 -4.207 -13.949 1.00 21.23 H new ATOM 0 HG LEU A 67 -6.811 -5.840 -13.013 1.00 52.51 H new ATOM 0 HD11 LEU A 67 -8.565 -7.462 -12.407 1.00 71.11 H new ATOM 0 HD12 LEU A 67 -8.772 -5.917 -11.547 1.00 71.11 H new ATOM 0 HD13 LEU A 67 -9.808 -6.305 -12.941 1.00 71.11 H new ATOM 0 HD21 LEU A 67 -7.541 -7.523 -14.636 1.00 43.34 H new ATOM 0 HD22 LEU A 67 -8.767 -6.392 -15.257 1.00 43.34 H new ATOM 0 HD23 LEU A 67 -7.037 -6.012 -15.429 1.00 43.34 H new ATOM 1059 N HIS A 68 -7.642 -1.210 -13.760 1.00 3.40 N ATOM 1060 CA HIS A 68 -8.182 0.141 -13.804 1.00 65.03 C ATOM 1061 C HIS A 68 -7.520 0.893 -12.656 1.00 45.02 C ATOM 1062 O HIS A 68 -6.887 0.269 -11.831 1.00 2.32 O ATOM 1063 CB HIS A 68 -9.727 0.075 -13.626 1.00 34.11 C ATOM 1064 CG HIS A 68 -10.496 1.290 -14.061 1.00 61.21 C ATOM 1065 ND1 HIS A 68 -11.510 1.872 -13.319 1.00 30.13 N ATOM 1066 CD2 HIS A 68 -10.442 1.981 -15.210 1.00 62.33 C ATOM 1067 CE1 HIS A 68 -12.032 2.867 -14.010 1.00 43.01 C ATOM 1068 NE2 HIS A 68 -11.402 2.953 -15.156 1.00 21.42 N ATOM 0 H HIS A 68 -7.096 -1.416 -12.923 1.00 3.40 H new ATOM 0 HA HIS A 68 -7.985 0.644 -14.751 1.00 65.03 H new ATOM 0 HB2 HIS A 68 -10.100 -0.784 -14.183 1.00 34.11 H new ATOM 0 HB3 HIS A 68 -9.943 -0.109 -12.574 1.00 34.11 H new ATOM 0 HD2 HIS A 68 -9.762 1.802 -16.030 1.00 62.33 H new ATOM 0 HE1 HIS A 68 -12.842 3.504 -13.686 1.00 43.01 H new ATOM 0 HE2 HIS A 68 -11.596 3.635 -15.889 1.00 21.42 H new ATOM 1077 N GLY A 69 -7.628 2.188 -12.609 1.00 35.14 N ATOM 1078 CA GLY A 69 -6.967 2.953 -11.552 1.00 74.33 C ATOM 1079 C GLY A 69 -7.746 3.088 -10.241 1.00 1.45 C ATOM 1080 O GLY A 69 -7.242 3.659 -9.289 1.00 63.23 O ATOM 0 H GLY A 69 -8.159 2.748 -13.276 1.00 35.14 H new ATOM 0 HA2 GLY A 69 -6.007 2.484 -11.336 1.00 74.33 H new ATOM 0 HA3 GLY A 69 -6.755 3.953 -11.931 1.00 74.33 H new ATOM 1084 N ASN A 70 -8.943 2.538 -10.171 1.00 22.40 N ATOM 1085 CA ASN A 70 -9.828 2.804 -9.027 1.00 51.33 C ATOM 1086 C ASN A 70 -10.972 1.785 -8.987 1.00 2.13 C ATOM 1087 O ASN A 70 -11.999 1.986 -8.367 1.00 11.02 O ATOM 1088 CB ASN A 70 -10.343 4.288 -9.133 1.00 72.24 C ATOM 1089 CG ASN A 70 -11.319 4.739 -8.039 1.00 61.35 C ATOM 1090 OD1 ASN A 70 -10.912 5.154 -6.948 1.00 61.35 O ATOM 1091 ND2 ASN A 70 -12.595 4.723 -8.349 1.00 61.41 N ATOM 0 H ASN A 70 -9.331 1.911 -10.876 1.00 22.40 H new ATOM 0 HA ASN A 70 -9.287 2.693 -8.087 1.00 51.33 H new ATOM 0 HB2 ASN A 70 -9.480 4.953 -9.119 1.00 72.24 H new ATOM 0 HB3 ASN A 70 -10.828 4.415 -10.101 1.00 72.24 H new ATOM 0 HD21 ASN A 70 -13.287 5.060 -7.680 1.00 61.41 H new ATOM 0 HD22 ASN A 70 -12.894 4.373 -9.259 1.00 61.41 H new ATOM 1098 N VAL A 71 -10.757 0.649 -9.601 1.00 42.13 N ATOM 1099 CA VAL A 71 -11.792 -0.348 -9.624 1.00 74.43 C ATOM 1100 C VAL A 71 -11.799 -1.095 -8.279 1.00 11.40 C ATOM 1101 O VAL A 71 -10.733 -1.406 -7.724 1.00 73.15 O ATOM 1102 CB VAL A 71 -11.688 -1.303 -10.873 1.00 34.04 C ATOM 1103 CG1 VAL A 71 -10.395 -2.059 -10.925 1.00 51.34 C ATOM 1104 CG2 VAL A 71 -12.848 -2.248 -10.951 1.00 74.24 C ATOM 0 H VAL A 71 -9.894 0.396 -10.081 1.00 42.13 H new ATOM 0 HA VAL A 71 -12.757 0.144 -9.744 1.00 74.43 H new ATOM 0 HB VAL A 71 -11.716 -0.649 -11.745 1.00 34.04 H new ATOM 0 HG11 VAL A 71 -10.383 -2.699 -11.807 1.00 51.34 H new ATOM 0 HG12 VAL A 71 -9.564 -1.355 -10.976 1.00 51.34 H new ATOM 0 HG13 VAL A 71 -10.296 -2.673 -10.030 1.00 51.34 H new ATOM 0 HG21 VAL A 71 -12.737 -2.888 -11.826 1.00 74.24 H new ATOM 0 HG22 VAL A 71 -12.877 -2.864 -10.052 1.00 74.24 H new ATOM 0 HG23 VAL A 71 -13.775 -1.680 -11.032 1.00 74.24 H new ATOM 1114 N THR A 72 -12.974 -1.329 -7.748 1.00 11.35 N ATOM 1115 CA THR A 72 -13.129 -1.901 -6.437 1.00 35.45 C ATOM 1116 C THR A 72 -12.912 -3.403 -6.452 1.00 14.35 C ATOM 1117 O THR A 72 -13.054 -4.046 -7.490 1.00 4.10 O ATOM 1118 CB THR A 72 -14.525 -1.585 -5.892 1.00 41.44 C ATOM 1119 OG1 THR A 72 -15.511 -2.030 -6.837 1.00 13.40 O ATOM 1120 CG2 THR A 72 -14.681 -0.089 -5.658 1.00 3.10 C ATOM 0 H THR A 72 -13.856 -1.125 -8.219 1.00 11.35 H new ATOM 0 HA THR A 72 -12.372 -1.459 -5.789 1.00 35.45 H new ATOM 0 HB THR A 72 -14.660 -2.101 -4.941 1.00 41.44 H new ATOM 0 HG1 THR A 72 -16.407 -1.832 -6.493 1.00 13.40 H new ATOM 0 HG21 THR A 72 -15.679 0.117 -5.271 1.00 3.10 H new ATOM 0 HG22 THR A 72 -13.936 0.246 -4.937 1.00 3.10 H new ATOM 0 HG23 THR A 72 -14.540 0.443 -6.599 1.00 3.10 H new ATOM 1128 N LEU A 73 -12.594 -3.959 -5.289 1.00 14.53 N ATOM 1129 CA LEU A 73 -12.323 -5.378 -5.140 1.00 64.40 C ATOM 1130 C LEU A 73 -13.565 -6.205 -5.455 1.00 35.12 C ATOM 1131 O LEU A 73 -13.467 -7.365 -5.870 1.00 43.43 O ATOM 1132 CB LEU A 73 -11.849 -5.698 -3.723 1.00 12.23 C ATOM 1133 CG LEU A 73 -10.600 -4.968 -3.182 1.00 2.31 C ATOM 1134 CD1 LEU A 73 -9.449 -5.012 -4.146 1.00 42.31 C ATOM 1135 CD2 LEU A 73 -10.897 -3.556 -2.716 1.00 52.21 C ATOM 0 H LEU A 73 -12.517 -3.432 -4.419 1.00 14.53 H new ATOM 0 HA LEU A 73 -11.534 -5.635 -5.846 1.00 64.40 H new ATOM 0 HB2 LEU A 73 -12.675 -5.491 -3.042 1.00 12.23 H new ATOM 0 HB3 LEU A 73 -11.655 -6.769 -3.672 1.00 12.23 H new ATOM 0 HG LEU A 73 -10.292 -5.523 -2.296 1.00 2.31 H new ATOM 0 HD11 LEU A 73 -8.596 -4.485 -3.718 1.00 42.31 H new ATOM 0 HD12 LEU A 73 -9.175 -6.049 -4.339 1.00 42.31 H new ATOM 0 HD13 LEU A 73 -9.739 -4.534 -5.081 1.00 42.31 H new ATOM 0 HD21 LEU A 73 -9.981 -3.094 -2.347 1.00 52.21 H new ATOM 0 HD22 LEU A 73 -11.287 -2.972 -3.550 1.00 52.21 H new ATOM 0 HD23 LEU A 73 -11.637 -3.585 -1.916 1.00 52.21 H new ATOM 1147 N GLY A 74 -14.733 -5.603 -5.254 1.00 21.32 N ATOM 1148 CA GLY A 74 -15.976 -6.255 -5.592 1.00 12.24 C ATOM 1149 C GLY A 74 -16.071 -6.462 -7.081 1.00 71.33 C ATOM 1150 O GLY A 74 -16.524 -7.513 -7.552 1.00 34.23 O ATOM 0 H GLY A 74 -14.836 -4.668 -4.860 1.00 21.32 H new ATOM 0 HA2 GLY A 74 -16.042 -7.215 -5.080 1.00 12.24 H new ATOM 0 HA3 GLY A 74 -16.816 -5.652 -5.248 1.00 12.24 H new ATOM 1154 N ALA A 75 -15.599 -5.478 -7.821 1.00 12.13 N ATOM 1155 CA ALA A 75 -15.582 -5.543 -9.259 1.00 50.15 C ATOM 1156 C ALA A 75 -14.427 -6.407 -9.728 1.00 41.30 C ATOM 1157 O ALA A 75 -14.392 -6.854 -10.864 1.00 40.43 O ATOM 1158 CB ALA A 75 -15.482 -4.152 -9.852 1.00 53.03 C ATOM 0 H ALA A 75 -15.218 -4.613 -7.437 1.00 12.13 H new ATOM 0 HA ALA A 75 -16.514 -5.993 -9.600 1.00 50.15 H new ATOM 0 HB1 ALA A 75 -15.470 -4.220 -10.940 1.00 53.03 H new ATOM 0 HB2 ALA A 75 -16.340 -3.559 -9.535 1.00 53.03 H new ATOM 0 HB3 ALA A 75 -14.564 -3.675 -9.509 1.00 53.03 H new ATOM 1164 N LEU A 76 -13.479 -6.642 -8.833 1.00 13.10 N ATOM 1165 CA LEU A 76 -12.324 -7.476 -9.112 1.00 23.24 C ATOM 1166 C LEU A 76 -12.626 -8.947 -8.850 1.00 72.41 C ATOM 1167 O LEU A 76 -11.736 -9.798 -8.951 1.00 12.13 O ATOM 1168 CB LEU A 76 -11.157 -7.054 -8.253 1.00 41.21 C ATOM 1169 CG LEU A 76 -10.677 -5.632 -8.412 1.00 15.11 C ATOM 1170 CD1 LEU A 76 -9.551 -5.383 -7.500 1.00 41.03 C ATOM 1171 CD2 LEU A 76 -10.230 -5.407 -9.787 1.00 61.11 C ATOM 0 H LEU A 76 -13.491 -6.257 -7.889 1.00 13.10 H new ATOM 0 HA LEU A 76 -12.075 -7.351 -10.166 1.00 23.24 H new ATOM 0 HB2 LEU A 76 -11.431 -7.206 -7.209 1.00 41.21 H new ATOM 0 HB3 LEU A 76 -10.321 -7.721 -8.464 1.00 41.21 H new ATOM 0 HG LEU A 76 -11.500 -4.956 -8.178 1.00 15.11 H new ATOM 0 HD11 LEU A 76 -9.208 -4.355 -7.618 1.00 41.03 H new ATOM 0 HD12 LEU A 76 -9.874 -5.542 -6.471 1.00 41.03 H new ATOM 0 HD13 LEU A 76 -8.735 -6.067 -7.734 1.00 41.03 H new ATOM 0 HD21 LEU A 76 -9.885 -4.379 -9.894 1.00 61.11 H new ATOM 0 HD22 LEU A 76 -9.413 -6.090 -10.020 1.00 61.11 H new ATOM 0 HD23 LEU A 76 -11.058 -5.585 -10.473 1.00 61.11 H new ATOM 1183 N LYS A 77 -13.880 -9.232 -8.511 1.00 12.25 N ATOM 1184 CA LYS A 77 -14.374 -10.591 -8.269 1.00 43.20 C ATOM 1185 C LYS A 77 -13.799 -11.226 -7.001 1.00 32.45 C ATOM 1186 O LYS A 77 -13.760 -12.454 -6.888 1.00 1.52 O ATOM 1187 CB LYS A 77 -14.187 -11.547 -9.497 1.00 4.33 C ATOM 1188 CG LYS A 77 -14.979 -11.167 -10.760 1.00 40.33 C ATOM 1189 CD LYS A 77 -14.373 -9.983 -11.495 1.00 64.32 C ATOM 1190 CE LYS A 77 -15.289 -9.460 -12.598 1.00 75.32 C ATOM 1191 NZ LYS A 77 -15.650 -10.491 -13.591 1.00 73.50 N ATOM 0 H LYS A 77 -14.596 -8.515 -8.394 1.00 12.25 H new ATOM 0 HA LYS A 77 -15.446 -10.465 -8.115 1.00 43.20 H new ATOM 0 HB2 LYS A 77 -13.127 -11.581 -9.750 1.00 4.33 H new ATOM 0 HB3 LYS A 77 -14.476 -12.555 -9.198 1.00 4.33 H new ATOM 0 HG2 LYS A 77 -15.019 -12.025 -11.431 1.00 40.33 H new ATOM 0 HG3 LYS A 77 -16.006 -10.931 -10.483 1.00 40.33 H new ATOM 0 HD2 LYS A 77 -14.169 -9.182 -10.784 1.00 64.32 H new ATOM 0 HD3 LYS A 77 -13.417 -10.277 -11.928 1.00 64.32 H new ATOM 0 HE2 LYS A 77 -16.199 -9.064 -12.148 1.00 75.32 H new ATOM 0 HE3 LYS A 77 -14.798 -8.631 -13.107 1.00 75.32 H new ATOM 0 HZ1 LYS A 77 -16.216 -10.060 -14.349 1.00 73.50 H new ATOM 0 HZ2 LYS A 77 -14.784 -10.901 -13.996 1.00 73.50 H new ATOM 0 HZ3 LYS A 77 -16.204 -11.240 -13.128 1.00 73.50 H new ATOM 1205 N LEU A 78 -13.387 -10.410 -6.032 1.00 62.21 N ATOM 1206 CA LEU A 78 -12.915 -10.961 -4.759 1.00 54.33 C ATOM 1207 C LEU A 78 -14.071 -11.505 -3.928 1.00 35.14 C ATOM 1208 O LEU A 78 -15.037 -10.783 -3.656 1.00 64.04 O ATOM 1209 CB LEU A 78 -12.081 -9.973 -3.910 1.00 15.11 C ATOM 1210 CG LEU A 78 -10.615 -9.758 -4.311 1.00 22.33 C ATOM 1211 CD1 LEU A 78 -10.476 -9.111 -5.658 1.00 63.53 C ATOM 1212 CD2 LEU A 78 -9.869 -8.971 -3.247 1.00 14.42 C ATOM 0 H LEU A 78 -13.369 -9.392 -6.097 1.00 62.21 H new ATOM 0 HA LEU A 78 -12.245 -11.775 -5.038 1.00 54.33 H new ATOM 0 HB2 LEU A 78 -12.581 -9.005 -3.932 1.00 15.11 H new ATOM 0 HB3 LEU A 78 -12.100 -10.318 -2.876 1.00 15.11 H new ATOM 0 HG LEU A 78 -10.161 -10.746 -4.389 1.00 22.33 H new ATOM 0 HD11 LEU A 78 -9.419 -8.982 -5.892 1.00 63.53 H new ATOM 0 HD12 LEU A 78 -10.941 -9.743 -6.415 1.00 63.53 H new ATOM 0 HD13 LEU A 78 -10.966 -8.138 -5.646 1.00 63.53 H new ATOM 0 HD21 LEU A 78 -8.833 -8.833 -3.556 1.00 14.42 H new ATOM 0 HD22 LEU A 78 -10.342 -7.998 -3.116 1.00 14.42 H new ATOM 0 HD23 LEU A 78 -9.897 -9.517 -2.304 1.00 14.42 H new ATOM 1224 N PRO A 79 -14.011 -12.786 -3.542 1.00 61.13 N ATOM 1225 CA PRO A 79 -15.016 -13.389 -2.691 1.00 65.13 C ATOM 1226 C PRO A 79 -14.782 -13.031 -1.227 1.00 65.33 C ATOM 1227 O PRO A 79 -13.625 -12.890 -0.779 1.00 12.01 O ATOM 1228 CB PRO A 79 -14.838 -14.902 -2.896 1.00 3.23 C ATOM 1229 CG PRO A 79 -13.667 -15.072 -3.819 1.00 2.33 C ATOM 1230 CD PRO A 79 -12.969 -13.746 -3.912 1.00 14.21 C ATOM 0 HA PRO A 79 -16.019 -13.042 -2.940 1.00 65.13 H new ATOM 0 HB2 PRO A 79 -14.659 -15.404 -1.945 1.00 3.23 H new ATOM 0 HB3 PRO A 79 -15.737 -15.344 -3.325 1.00 3.23 H new ATOM 0 HG2 PRO A 79 -12.989 -15.837 -3.441 1.00 2.33 H new ATOM 0 HG3 PRO A 79 -14.000 -15.400 -4.804 1.00 2.33 H new ATOM 0 HD2 PRO A 79 -12.116 -13.693 -3.236 1.00 14.21 H new ATOM 0 HD3 PRO A 79 -12.591 -13.561 -4.917 1.00 14.21 H new ATOM 1238 N PHE A 80 -15.855 -12.905 -0.485 1.00 54.00 N ATOM 1239 CA PHE A 80 -15.778 -12.534 0.906 1.00 12.50 C ATOM 1240 C PHE A 80 -15.266 -13.724 1.684 1.00 22.42 C ATOM 1241 O PHE A 80 -15.610 -14.874 1.376 1.00 10.35 O ATOM 1242 CB PHE A 80 -17.158 -12.161 1.474 1.00 1.44 C ATOM 1243 CG PHE A 80 -17.957 -11.132 0.712 1.00 31.41 C ATOM 1244 CD1 PHE A 80 -17.367 -10.261 -0.180 1.00 31.21 C ATOM 1245 CD2 PHE A 80 -19.317 -11.052 0.910 1.00 20.24 C ATOM 1246 CE1 PHE A 80 -18.120 -9.332 -0.864 1.00 70.25 C ATOM 1247 CE2 PHE A 80 -20.082 -10.126 0.234 1.00 33.31 C ATOM 1248 CZ PHE A 80 -19.483 -9.264 -0.656 1.00 14.14 C ATOM 0 H PHE A 80 -16.804 -13.056 -0.828 1.00 54.00 H new ATOM 0 HA PHE A 80 -15.119 -11.670 0.993 1.00 12.50 H new ATOM 0 HB2 PHE A 80 -17.754 -13.071 1.541 1.00 1.44 H new ATOM 0 HB3 PHE A 80 -17.018 -11.796 2.491 1.00 1.44 H new ATOM 0 HD1 PHE A 80 -16.301 -10.308 -0.344 1.00 31.21 H new ATOM 0 HD2 PHE A 80 -19.793 -11.726 1.607 1.00 20.24 H new ATOM 0 HE1 PHE A 80 -17.645 -8.658 -1.562 1.00 70.25 H new ATOM 0 HE2 PHE A 80 -21.148 -10.077 0.402 1.00 33.31 H new ATOM 0 HZ PHE A 80 -20.077 -8.537 -1.190 1.00 14.14 H new ATOM 1258 N GLY A 81 -14.446 -13.472 2.661 1.00 53.12 N ATOM 1259 CA GLY A 81 -13.915 -14.546 3.479 1.00 1.55 C ATOM 1260 C GLY A 81 -12.730 -15.250 2.856 1.00 10.31 C ATOM 1261 O GLY A 81 -12.131 -16.125 3.480 1.00 52.42 O ATOM 0 H GLY A 81 -14.125 -12.539 2.918 1.00 53.12 H new ATOM 0 HA2 GLY A 81 -13.620 -14.142 4.447 1.00 1.55 H new ATOM 0 HA3 GLY A 81 -14.704 -15.275 3.665 1.00 1.55 H new ATOM 1265 N LYS A 82 -12.378 -14.876 1.649 1.00 3.32 N ATOM 1266 CA LYS A 82 -11.296 -15.519 0.968 1.00 25.45 C ATOM 1267 C LYS A 82 -10.155 -14.559 0.711 1.00 34.13 C ATOM 1268 O LYS A 82 -10.373 -13.358 0.480 1.00 42.44 O ATOM 1269 CB LYS A 82 -11.787 -16.171 -0.308 1.00 61.42 C ATOM 1270 CG LYS A 82 -12.856 -17.214 -0.034 1.00 21.43 C ATOM 1271 CD LYS A 82 -13.265 -17.919 -1.279 1.00 73.15 C ATOM 1272 CE LYS A 82 -14.398 -18.905 -1.004 1.00 43.25 C ATOM 1273 NZ LYS A 82 -14.809 -19.636 -2.217 1.00 41.41 N ATOM 0 H LYS A 82 -12.830 -14.128 1.123 1.00 3.32 H new ATOM 0 HA LYS A 82 -10.904 -16.305 1.613 1.00 25.45 H new ATOM 0 HB2 LYS A 82 -12.187 -15.408 -0.975 1.00 61.42 H new ATOM 0 HB3 LYS A 82 -10.948 -16.638 -0.824 1.00 61.42 H new ATOM 0 HG2 LYS A 82 -12.481 -17.939 0.689 1.00 21.43 H new ATOM 0 HG3 LYS A 82 -13.726 -16.735 0.416 1.00 21.43 H new ATOM 0 HD2 LYS A 82 -13.585 -17.191 -2.025 1.00 73.15 H new ATOM 0 HD3 LYS A 82 -12.410 -18.450 -1.698 1.00 73.15 H new ATOM 0 HE2 LYS A 82 -14.080 -19.618 -0.243 1.00 43.25 H new ATOM 0 HE3 LYS A 82 -15.255 -18.367 -0.599 1.00 43.25 H new ATOM 0 HZ1 LYS A 82 -15.580 -20.293 -1.982 1.00 41.41 H new ATOM 0 HZ2 LYS A 82 -15.138 -18.960 -2.935 1.00 41.41 H new ATOM 0 HZ3 LYS A 82 -14.000 -20.171 -2.591 1.00 41.41 H new ATOM 1287 N THR A 83 -8.952 -15.071 0.766 1.00 73.42 N ATOM 1288 CA THR A 83 -7.775 -14.268 0.606 1.00 14.03 C ATOM 1289 C THR A 83 -7.429 -14.095 -0.866 1.00 11.43 C ATOM 1290 O THR A 83 -7.300 -15.071 -1.607 1.00 41.15 O ATOM 1291 CB THR A 83 -6.580 -14.914 1.330 1.00 52.32 C ATOM 1292 OG1 THR A 83 -6.963 -15.234 2.681 1.00 12.15 O ATOM 1293 CG2 THR A 83 -5.407 -13.943 1.372 1.00 65.32 C ATOM 0 H THR A 83 -8.765 -16.061 0.924 1.00 73.42 H new ATOM 0 HA THR A 83 -7.981 -13.290 1.041 1.00 14.03 H new ATOM 0 HB THR A 83 -6.286 -15.817 0.795 1.00 52.32 H new ATOM 0 HG1 THR A 83 -6.787 -14.465 3.262 1.00 12.15 H new ATOM 0 HG21 THR A 83 -4.567 -14.410 1.886 1.00 65.32 H new ATOM 0 HG22 THR A 83 -5.112 -13.685 0.355 1.00 65.32 H new ATOM 0 HG23 THR A 83 -5.702 -13.039 1.905 1.00 65.32 H new ATOM 1301 N THR A 84 -7.309 -12.868 -1.283 1.00 54.51 N ATOM 1302 CA THR A 84 -6.907 -12.576 -2.632 1.00 23.12 C ATOM 1303 C THR A 84 -5.679 -11.652 -2.613 1.00 52.31 C ATOM 1304 O THR A 84 -5.618 -10.699 -1.828 1.00 14.13 O ATOM 1305 CB THR A 84 -8.057 -11.932 -3.423 1.00 10.20 C ATOM 1306 OG1 THR A 84 -9.229 -12.769 -3.316 1.00 73.42 O ATOM 1307 CG2 THR A 84 -7.681 -11.787 -4.902 1.00 72.30 C ATOM 0 H THR A 84 -7.485 -12.046 -0.705 1.00 54.51 H new ATOM 0 HA THR A 84 -6.646 -13.510 -3.130 1.00 23.12 H new ATOM 0 HB THR A 84 -8.256 -10.943 -3.011 1.00 10.20 H new ATOM 0 HG1 THR A 84 -9.599 -12.929 -4.209 1.00 73.42 H new ATOM 0 HG21 THR A 84 -8.508 -11.329 -5.445 1.00 72.30 H new ATOM 0 HG22 THR A 84 -6.795 -11.158 -4.992 1.00 72.30 H new ATOM 0 HG23 THR A 84 -7.472 -12.771 -5.322 1.00 72.30 H new ATOM 1315 N VAL A 85 -4.709 -11.954 -3.446 1.00 22.20 N ATOM 1316 CA VAL A 85 -3.480 -11.195 -3.507 1.00 64.25 C ATOM 1317 C VAL A 85 -3.457 -10.287 -4.749 1.00 12.15 C ATOM 1318 O VAL A 85 -3.893 -10.690 -5.836 1.00 5.31 O ATOM 1319 CB VAL A 85 -2.249 -12.149 -3.508 1.00 4.14 C ATOM 1320 CG1 VAL A 85 -2.265 -13.070 -4.722 1.00 5.41 C ATOM 1321 CG2 VAL A 85 -0.949 -11.374 -3.431 1.00 73.13 C ATOM 0 H VAL A 85 -4.750 -12.734 -4.102 1.00 22.20 H new ATOM 0 HA VAL A 85 -3.428 -10.562 -2.621 1.00 64.25 H new ATOM 0 HB VAL A 85 -2.317 -12.771 -2.616 1.00 4.14 H new ATOM 0 HG11 VAL A 85 -1.393 -13.724 -4.694 1.00 5.41 H new ATOM 0 HG12 VAL A 85 -3.172 -13.674 -4.708 1.00 5.41 H new ATOM 0 HG13 VAL A 85 -2.241 -12.472 -5.633 1.00 5.41 H new ATOM 0 HG21 VAL A 85 -0.110 -12.070 -3.434 1.00 73.13 H new ATOM 0 HG22 VAL A 85 -0.871 -10.708 -4.290 1.00 73.13 H new ATOM 0 HG23 VAL A 85 -0.930 -10.786 -2.513 1.00 73.13 H new ATOM 1331 N MET A 86 -2.996 -9.062 -4.577 1.00 13.42 N ATOM 1332 CA MET A 86 -2.895 -8.113 -5.671 1.00 1.10 C ATOM 1333 C MET A 86 -1.613 -7.333 -5.601 1.00 21.05 C ATOM 1334 O MET A 86 -1.041 -7.160 -4.535 1.00 0.24 O ATOM 1335 CB MET A 86 -4.067 -7.143 -5.699 1.00 12.25 C ATOM 1336 CG MET A 86 -5.397 -7.785 -5.975 1.00 14.41 C ATOM 1337 SD MET A 86 -6.732 -6.591 -6.090 1.00 52.23 S ATOM 1338 CE MET A 86 -6.172 -5.564 -7.455 1.00 4.31 C ATOM 0 H MET A 86 -2.682 -8.697 -3.678 1.00 13.42 H new ATOM 0 HA MET A 86 -2.911 -8.703 -6.588 1.00 1.10 H new ATOM 0 HB2 MET A 86 -4.118 -6.626 -4.741 1.00 12.25 H new ATOM 0 HB3 MET A 86 -3.878 -6.385 -6.460 1.00 12.25 H new ATOM 0 HG2 MET A 86 -5.338 -8.348 -6.906 1.00 14.41 H new ATOM 0 HG3 MET A 86 -5.622 -8.500 -5.184 1.00 14.41 H new ATOM 0 HE1 MET A 86 -6.969 -4.880 -7.746 1.00 4.31 H new ATOM 0 HE2 MET A 86 -5.298 -4.992 -7.145 1.00 4.31 H new ATOM 0 HE3 MET A 86 -5.909 -6.197 -8.303 1.00 4.31 H new ATOM 1348 N HIS A 87 -1.154 -6.873 -6.738 1.00 43.30 N ATOM 1349 CA HIS A 87 0.029 -6.044 -6.801 1.00 11.23 C ATOM 1350 C HIS A 87 -0.427 -4.638 -7.021 1.00 32.42 C ATOM 1351 O HIS A 87 -1.233 -4.384 -7.899 1.00 71.32 O ATOM 1352 CB HIS A 87 0.967 -6.458 -7.938 1.00 63.14 C ATOM 1353 CG HIS A 87 1.555 -7.837 -7.814 1.00 60.43 C ATOM 1354 ND1 HIS A 87 2.905 -8.071 -7.678 1.00 63.23 N ATOM 1355 CD2 HIS A 87 0.970 -9.057 -7.847 1.00 32.15 C ATOM 1356 CE1 HIS A 87 3.119 -9.371 -7.634 1.00 44.31 C ATOM 1357 NE2 HIS A 87 1.960 -9.984 -7.734 1.00 24.32 N ATOM 0 H HIS A 87 -1.586 -7.060 -7.643 1.00 43.30 H new ATOM 0 HA HIS A 87 0.589 -6.151 -5.872 1.00 11.23 H new ATOM 0 HB2 HIS A 87 0.420 -6.397 -8.879 1.00 63.14 H new ATOM 0 HB3 HIS A 87 1.782 -5.737 -7.996 1.00 63.14 H new ATOM 0 HD2 HIS A 87 -0.087 -9.258 -7.945 1.00 32.15 H new ATOM 0 HE1 HIS A 87 4.081 -9.850 -7.533 1.00 44.31 H new ATOM 0 HE2 HIS A 87 1.824 -10.995 -7.728 1.00 24.32 H new ATOM 1366 N LEU A 88 0.033 -3.735 -6.242 1.00 61.00 N ATOM 1367 CA LEU A 88 -0.436 -2.391 -6.363 1.00 75.14 C ATOM 1368 C LEU A 88 0.689 -1.465 -6.582 1.00 51.12 C ATOM 1369 O LEU A 88 1.763 -1.616 -5.986 1.00 22.01 O ATOM 1370 CB LEU A 88 -1.247 -1.940 -5.133 1.00 22.35 C ATOM 1371 CG LEU A 88 -2.595 -2.639 -4.847 1.00 14.42 C ATOM 1372 CD1 LEU A 88 -3.537 -2.527 -6.018 1.00 3.21 C ATOM 1373 CD2 LEU A 88 -2.415 -4.081 -4.430 1.00 43.44 C ATOM 0 H LEU A 88 0.730 -3.890 -5.514 1.00 61.00 H new ATOM 0 HA LEU A 88 -1.101 -2.368 -7.226 1.00 75.14 H new ATOM 0 HB2 LEU A 88 -0.615 -2.065 -4.254 1.00 22.35 H new ATOM 0 HB3 LEU A 88 -1.442 -0.873 -5.236 1.00 22.35 H new ATOM 0 HG LEU A 88 -3.045 -2.114 -4.004 1.00 14.42 H new ATOM 0 HD11 LEU A 88 -4.474 -3.030 -5.780 1.00 3.21 H new ATOM 0 HD12 LEU A 88 -3.733 -1.476 -6.228 1.00 3.21 H new ATOM 0 HD13 LEU A 88 -3.086 -2.994 -6.894 1.00 3.21 H new ATOM 0 HD21 LEU A 88 -3.390 -4.529 -4.240 1.00 43.44 H new ATOM 0 HD22 LEU A 88 -1.912 -4.630 -5.226 1.00 43.44 H new ATOM 0 HD23 LEU A 88 -1.813 -4.125 -3.523 1.00 43.44 H new ATOM 1385 N VAL A 89 0.480 -0.515 -7.432 1.00 74.44 N ATOM 1386 CA VAL A 89 1.473 0.448 -7.663 1.00 44.34 C ATOM 1387 C VAL A 89 0.948 1.808 -7.291 1.00 4.33 C ATOM 1388 O VAL A 89 -0.189 2.175 -7.609 1.00 5.33 O ATOM 1389 CB VAL A 89 2.013 0.450 -9.135 1.00 1.41 C ATOM 1390 CG1 VAL A 89 2.577 -0.908 -9.514 1.00 44.15 C ATOM 1391 CG2 VAL A 89 0.952 0.868 -10.125 1.00 5.43 C ATOM 0 H VAL A 89 -0.376 -0.395 -7.973 1.00 74.44 H new ATOM 0 HA VAL A 89 2.324 0.187 -7.034 1.00 44.34 H new ATOM 0 HB VAL A 89 2.816 1.186 -9.175 1.00 1.41 H new ATOM 0 HG11 VAL A 89 2.944 -0.876 -10.540 1.00 44.15 H new ATOM 0 HG12 VAL A 89 3.398 -1.161 -8.843 1.00 44.15 H new ATOM 0 HG13 VAL A 89 1.795 -1.663 -9.432 1.00 44.15 H new ATOM 0 HG21 VAL A 89 1.369 0.856 -11.132 1.00 5.43 H new ATOM 0 HG22 VAL A 89 0.112 0.176 -10.072 1.00 5.43 H new ATOM 0 HG23 VAL A 89 0.609 1.875 -9.887 1.00 5.43 H new ATOM 1401 N ALA A 90 1.740 2.509 -6.591 1.00 51.35 N ATOM 1402 CA ALA A 90 1.467 3.845 -6.242 1.00 65.44 C ATOM 1403 C ALA A 90 2.712 4.575 -6.518 1.00 60.20 C ATOM 1404 O ALA A 90 3.806 4.085 -6.194 1.00 64.35 O ATOM 1405 CB ALA A 90 1.066 3.977 -4.778 1.00 24.45 C ATOM 0 H ALA A 90 2.628 2.161 -6.230 1.00 51.35 H new ATOM 0 HA ALA A 90 0.625 4.241 -6.810 1.00 65.44 H new ATOM 0 HB1 ALA A 90 0.864 5.023 -4.549 1.00 24.45 H new ATOM 0 HB2 ALA A 90 0.170 3.385 -4.591 1.00 24.45 H new ATOM 0 HB3 ALA A 90 1.877 3.617 -4.145 1.00 24.45 H new