USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 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 Single : A 9 MET CE :methyl 170:sc= -0.923 (180deg=-1.07) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.87 F(o=-2.2!,f=-0.87) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -106:sc= 0.932 (180deg=0.144) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.2) USER MOD Single : A 27 SER OG : rot -64:sc= 0.941 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -176:sc= 0.934 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.0046) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 120:sc= 0.065 USER MOD Single : A 63 GLN : amide:sc=-0.00396 K(o=-0.004,f=-0.81) USER MOD Single : A 68 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.013) USER MOD Single : A 70 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.097) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0505 (180deg=-0.335) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.0591 (180deg=-0.374) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -120:sc= -0.157 USER MOD Single : A 86 MET CE :methyl 161:sc= -0.158 (180deg=-0.755) USER MOD Single : A 87 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -12.243 -14.502 8.108 1.00 35.42 N ATOM 38 CA VAL A 5 -12.692 -13.387 7.319 1.00 10.01 C ATOM 39 C VAL A 5 -14.211 -13.477 7.155 1.00 31.30 C ATOM 40 O VAL A 5 -14.720 -14.469 6.622 1.00 4.25 O ATOM 41 CB VAL A 5 -12.038 -13.392 5.918 1.00 34.35 C ATOM 42 CG1 VAL A 5 -12.359 -12.103 5.173 1.00 54.32 C ATOM 43 CG2 VAL A 5 -10.540 -13.610 6.009 1.00 1.33 C ATOM 0 HA VAL A 5 -12.409 -12.466 7.830 1.00 10.01 H new ATOM 0 HB VAL A 5 -12.456 -14.226 5.354 1.00 34.35 H new ATOM 0 HG11 VAL A 5 -11.890 -12.125 4.189 1.00 54.32 H new ATOM 0 HG12 VAL A 5 -13.439 -12.008 5.058 1.00 54.32 H new ATOM 0 HG13 VAL A 5 -11.978 -11.252 5.738 1.00 54.32 H new ATOM 0 HG21 VAL A 5 -10.111 -13.608 5.007 1.00 1.33 H new ATOM 0 HG22 VAL A 5 -10.091 -12.810 6.598 1.00 1.33 H new ATOM 0 HG23 VAL A 5 -10.340 -14.569 6.488 1.00 1.33 H new ATOM 53 N PRO A 6 -14.957 -12.471 7.622 1.00 30.14 N ATOM 54 CA PRO A 6 -16.413 -12.473 7.524 1.00 22.22 C ATOM 55 C PRO A 6 -16.878 -12.242 6.101 1.00 44.22 C ATOM 56 O PRO A 6 -16.176 -11.591 5.303 1.00 0.02 O ATOM 57 CB PRO A 6 -16.852 -11.285 8.383 1.00 52.40 C ATOM 58 CG PRO A 6 -15.623 -10.769 9.059 1.00 54.43 C ATOM 59 CD PRO A 6 -14.450 -11.253 8.267 1.00 33.41 C ATOM 0 HA PRO A 6 -16.828 -13.429 7.844 1.00 22.22 H new ATOM 0 HB2 PRO A 6 -17.310 -10.510 7.768 1.00 52.40 H new ATOM 0 HB3 PRO A 6 -17.598 -11.592 9.116 1.00 52.40 H new ATOM 0 HG2 PRO A 6 -15.636 -9.680 9.102 1.00 54.43 H new ATOM 0 HG3 PRO A 6 -15.569 -11.128 10.087 1.00 54.43 H new ATOM 0 HD2 PRO A 6 -14.127 -10.514 7.534 1.00 33.41 H new ATOM 0 HD3 PRO A 6 -13.592 -11.463 8.906 1.00 33.41 H new ATOM 67 N ALA A 7 -18.057 -12.742 5.775 1.00 42.40 N ATOM 68 CA ALA A 7 -18.631 -12.534 4.486 1.00 30.20 C ATOM 69 C ALA A 7 -19.237 -11.149 4.417 1.00 61.11 C ATOM 70 O ALA A 7 -20.451 -10.956 4.490 1.00 62.12 O ATOM 71 CB ALA A 7 -19.628 -13.608 4.126 1.00 33.30 C ATOM 0 H ALA A 7 -18.632 -13.301 6.406 1.00 42.40 H new ATOM 0 HA ALA A 7 -17.839 -12.603 3.741 1.00 30.20 H new ATOM 0 HB1 ALA A 7 -20.038 -13.407 3.136 1.00 33.30 H new ATOM 0 HB2 ALA A 7 -19.132 -14.579 4.123 1.00 33.30 H new ATOM 0 HB3 ALA A 7 -20.435 -13.615 4.858 1.00 33.30 H new ATOM 77 N ASP A 8 -18.347 -10.212 4.383 1.00 51.21 N ATOM 78 CA ASP A 8 -18.618 -8.794 4.320 1.00 34.52 C ATOM 79 C ASP A 8 -17.320 -8.114 3.979 1.00 32.15 C ATOM 80 O ASP A 8 -17.287 -7.059 3.357 1.00 44.41 O ATOM 81 CB ASP A 8 -19.130 -8.279 5.680 1.00 22.21 C ATOM 82 CG ASP A 8 -19.400 -6.786 5.692 1.00 24.15 C ATOM 83 OD1 ASP A 8 -20.409 -6.357 5.112 1.00 13.54 O ATOM 84 OD2 ASP A 8 -18.600 -6.020 6.280 1.00 24.34 O ATOM 0 H ASP A 8 -17.348 -10.418 4.399 1.00 51.21 H new ATOM 0 HA ASP A 8 -19.385 -8.586 3.574 1.00 34.52 H new ATOM 0 HB2 ASP A 8 -20.046 -8.809 5.940 1.00 22.21 H new ATOM 0 HB3 ASP A 8 -18.396 -8.515 6.450 1.00 22.21 H new ATOM 89 N MET A 9 -16.235 -8.758 4.373 1.00 33.44 N ATOM 90 CA MET A 9 -14.909 -8.257 4.129 1.00 4.13 C ATOM 91 C MET A 9 -14.215 -9.175 3.156 1.00 2.24 C ATOM 92 O MET A 9 -14.544 -10.366 3.063 1.00 1.42 O ATOM 93 CB MET A 9 -14.099 -8.255 5.433 1.00 54.33 C ATOM 94 CG MET A 9 -14.745 -7.511 6.576 1.00 61.04 C ATOM 95 SD MET A 9 -14.955 -5.744 6.280 1.00 63.23 S ATOM 96 CE MET A 9 -13.258 -5.199 6.178 1.00 14.31 C ATOM 0 H MET A 9 -16.258 -9.647 4.873 1.00 33.44 H new ATOM 0 HA MET A 9 -14.979 -7.244 3.733 1.00 4.13 H new ATOM 0 HB2 MET A 9 -13.928 -9.287 5.740 1.00 54.33 H new ATOM 0 HB3 MET A 9 -13.122 -7.814 5.237 1.00 54.33 H new ATOM 0 HG2 MET A 9 -15.721 -7.953 6.778 1.00 61.04 H new ATOM 0 HG3 MET A 9 -14.141 -7.649 7.473 1.00 61.04 H new ATOM 0 HE1 MET A 9 -13.227 -4.169 5.824 1.00 14.31 H new ATOM 0 HE2 MET A 9 -12.797 -5.257 7.164 1.00 14.31 H new ATOM 0 HE3 MET A 9 -12.712 -5.838 5.484 1.00 14.31 H new ATOM 106 N ILE A 10 -13.295 -8.646 2.433 1.00 22.25 N ATOM 107 CA ILE A 10 -12.461 -9.441 1.581 1.00 3.14 C ATOM 108 C ILE A 10 -11.018 -9.399 2.085 1.00 63.14 C ATOM 109 O ILE A 10 -10.526 -8.346 2.517 1.00 24.44 O ATOM 110 CB ILE A 10 -12.630 -9.111 0.039 1.00 5.52 C ATOM 111 CG1 ILE A 10 -12.517 -7.624 -0.305 1.00 55.31 C ATOM 112 CG2 ILE A 10 -13.917 -9.648 -0.508 1.00 51.33 C ATOM 113 CD1 ILE A 10 -11.133 -7.071 -0.337 1.00 34.41 C ATOM 0 H ILE A 10 -13.092 -7.647 2.410 1.00 22.25 H new ATOM 0 HA ILE A 10 -12.795 -10.477 1.644 1.00 3.14 H new ATOM 0 HB ILE A 10 -11.787 -9.614 -0.436 1.00 5.52 H new ATOM 0 HG12 ILE A 10 -12.977 -7.459 -1.279 1.00 55.31 H new ATOM 0 HG13 ILE A 10 -13.098 -7.057 0.422 1.00 55.31 H new ATOM 0 HG21 ILE A 10 -13.994 -9.400 -1.567 1.00 51.33 H new ATOM 0 HG22 ILE A 10 -13.941 -10.731 -0.386 1.00 51.33 H new ATOM 0 HG23 ILE A 10 -14.754 -9.204 0.030 1.00 51.33 H new ATOM 0 HD11 ILE A 10 -11.170 -6.012 -0.591 1.00 34.41 H new ATOM 0 HD12 ILE A 10 -10.669 -7.194 0.642 1.00 34.41 H new ATOM 0 HD13 ILE A 10 -10.546 -7.603 -1.086 1.00 34.41 H new ATOM 125 N ASN A 11 -10.369 -10.538 2.098 1.00 53.30 N ATOM 126 CA ASN A 11 -9.018 -10.631 2.623 1.00 53.42 C ATOM 127 C ASN A 11 -8.075 -10.284 1.501 1.00 14.23 C ATOM 128 O ASN A 11 -7.890 -11.058 0.572 1.00 65.34 O ATOM 129 CB ASN A 11 -8.768 -12.059 3.158 1.00 62.52 C ATOM 130 CG ASN A 11 -7.440 -12.296 3.922 1.00 13.24 C ATOM 131 OD1 ASN A 11 -6.401 -11.598 3.580 1.00 41.22 O flip ATOM 132 ND2 ASN A 11 -7.380 -13.131 4.822 1.00 61.11 N flip ATOM 0 H ASN A 11 -10.751 -11.418 1.751 1.00 53.30 H new ATOM 0 HA ASN A 11 -8.862 -9.943 3.454 1.00 53.42 H new ATOM 0 HB2 ASN A 11 -9.593 -12.323 3.820 1.00 62.52 H new ATOM 0 HB3 ASN A 11 -8.803 -12.749 2.315 1.00 62.52 H new ATOM 0 HD21 ASN A 11 -8.209 -13.669 5.075 1.00 61.11 H new ATOM 0 HD22 ASN A 11 -6.501 -13.286 5.316 1.00 61.11 H new ATOM 139 N LEU A 12 -7.486 -9.136 1.587 1.00 35.12 N ATOM 140 CA LEU A 12 -6.683 -8.630 0.517 1.00 63.50 C ATOM 141 C LEU A 12 -5.254 -8.390 0.925 1.00 41.42 C ATOM 142 O LEU A 12 -4.982 -7.813 1.985 1.00 3.15 O ATOM 143 CB LEU A 12 -7.316 -7.338 0.001 1.00 42.22 C ATOM 144 CG LEU A 12 -6.511 -6.513 -1.000 1.00 12.01 C ATOM 145 CD1 LEU A 12 -6.181 -7.291 -2.259 1.00 74.13 C ATOM 146 CD2 LEU A 12 -7.236 -5.233 -1.317 1.00 4.30 C ATOM 0 H LEU A 12 -7.546 -8.522 2.399 1.00 35.12 H new ATOM 0 HA LEU A 12 -6.653 -9.383 -0.271 1.00 63.50 H new ATOM 0 HB2 LEU A 12 -8.270 -7.591 -0.461 1.00 42.22 H new ATOM 0 HB3 LEU A 12 -7.536 -6.704 0.860 1.00 42.22 H new ATOM 0 HG LEU A 12 -5.556 -6.268 -0.535 1.00 12.01 H new ATOM 0 HD11 LEU A 12 -5.608 -6.659 -2.938 1.00 74.13 H new ATOM 0 HD12 LEU A 12 -5.593 -8.171 -1.999 1.00 74.13 H new ATOM 0 HD13 LEU A 12 -7.105 -7.603 -2.747 1.00 74.13 H new ATOM 0 HD21 LEU A 12 -6.653 -4.652 -2.032 1.00 4.30 H new ATOM 0 HD22 LEU A 12 -8.211 -5.464 -1.746 1.00 4.30 H new ATOM 0 HD23 LEU A 12 -7.370 -4.655 -0.403 1.00 4.30 H new ATOM 158 N ARG A 13 -4.346 -8.843 0.094 1.00 55.14 N ATOM 159 CA ARG A 13 -2.970 -8.567 0.290 1.00 21.43 C ATOM 160 C ARG A 13 -2.512 -7.587 -0.757 1.00 34.43 C ATOM 161 O ARG A 13 -2.603 -7.847 -1.962 1.00 32.31 O ATOM 162 CB ARG A 13 -2.142 -9.842 0.236 1.00 53.15 C ATOM 163 CG ARG A 13 -0.672 -9.623 0.550 1.00 0.25 C ATOM 164 CD ARG A 13 0.023 -10.936 0.819 1.00 43.25 C ATOM 165 NE ARG A 13 0.057 -11.831 -0.334 1.00 30.24 N ATOM 166 CZ ARG A 13 -0.556 -13.020 -0.394 1.00 45.44 C ATOM 167 NH1 ARG A 13 -1.437 -13.378 0.543 1.00 73.02 N ATOM 168 NH2 ARG A 13 -0.316 -13.835 -1.413 1.00 13.53 N ATOM 0 H ARG A 13 -4.553 -9.409 -0.729 1.00 55.14 H new ATOM 0 HA ARG A 13 -2.831 -8.132 1.280 1.00 21.43 H new ATOM 0 HB2 ARG A 13 -2.553 -10.563 0.943 1.00 53.15 H new ATOM 0 HB3 ARG A 13 -2.232 -10.282 -0.757 1.00 53.15 H new ATOM 0 HG2 ARG A 13 -0.189 -9.116 -0.285 1.00 0.25 H new ATOM 0 HG3 ARG A 13 -0.575 -8.971 1.418 1.00 0.25 H new ATOM 0 HD2 ARG A 13 1.045 -10.736 1.143 1.00 43.25 H new ATOM 0 HD3 ARG A 13 -0.480 -11.440 1.644 1.00 43.25 H new ATOM 0 HE ARG A 13 0.586 -11.529 -1.152 1.00 30.24 H new ATOM 0 HH11 ARG A 13 -1.648 -12.744 1.313 1.00 73.02 H new ATOM 0 HH12 ARG A 13 -1.899 -14.286 0.489 1.00 73.02 H new ATOM 0 HH21 ARG A 13 0.334 -13.555 -2.148 1.00 13.53 H new ATOM 0 HH22 ARG A 13 -0.781 -14.741 -1.462 1.00 13.53 H new ATOM 182 N LEU A 14 -2.028 -6.489 -0.291 1.00 24.53 N ATOM 183 CA LEU A 14 -1.530 -5.418 -1.134 1.00 73.33 C ATOM 184 C LEU A 14 -0.027 -5.522 -1.196 1.00 55.45 C ATOM 185 O LEU A 14 0.648 -5.493 -0.149 1.00 12.34 O ATOM 186 CB LEU A 14 -1.914 -4.010 -0.573 1.00 53.51 C ATOM 187 CG LEU A 14 -3.405 -3.628 -0.453 1.00 55.51 C ATOM 188 CD1 LEU A 14 -4.116 -3.649 -1.786 1.00 72.14 C ATOM 189 CD2 LEU A 14 -4.145 -4.458 0.569 1.00 42.23 C ATOM 0 H LEU A 14 -1.958 -6.290 0.707 1.00 24.53 H new ATOM 0 HA LEU A 14 -1.979 -5.521 -2.122 1.00 73.33 H new ATOM 0 HB2 LEU A 14 -1.472 -3.920 0.419 1.00 53.51 H new ATOM 0 HB3 LEU A 14 -1.434 -3.263 -1.205 1.00 53.51 H new ATOM 0 HG LEU A 14 -3.412 -2.599 -0.094 1.00 55.51 H new ATOM 0 HD11 LEU A 14 -5.161 -3.373 -1.645 1.00 72.14 H new ATOM 0 HD12 LEU A 14 -3.641 -2.939 -2.463 1.00 72.14 H new ATOM 0 HD13 LEU A 14 -4.059 -4.650 -2.213 1.00 72.14 H new ATOM 0 HD21 LEU A 14 -5.188 -4.143 0.608 1.00 42.23 H new ATOM 0 HD22 LEU A 14 -4.094 -5.510 0.289 1.00 42.23 H new ATOM 0 HD23 LEU A 14 -3.688 -4.321 1.549 1.00 42.23 H new ATOM 201 N ILE A 15 0.518 -5.675 -2.378 1.00 62.20 N ATOM 202 CA ILE A 15 1.939 -5.771 -2.481 1.00 12.33 C ATOM 203 C ILE A 15 2.500 -4.448 -2.936 1.00 11.42 C ATOM 204 O ILE A 15 2.109 -3.927 -3.985 1.00 12.02 O ATOM 205 CB ILE A 15 2.389 -6.868 -3.453 1.00 64.14 C ATOM 206 CG1 ILE A 15 1.662 -8.186 -3.150 1.00 45.31 C ATOM 207 CG2 ILE A 15 3.895 -7.050 -3.309 1.00 41.20 C ATOM 208 CD1 ILE A 15 2.074 -9.332 -4.042 1.00 4.00 C ATOM 0 H ILE A 15 0.007 -5.734 -3.259 1.00 62.20 H new ATOM 0 HA ILE A 15 2.316 -6.034 -1.493 1.00 12.33 H new ATOM 0 HB ILE A 15 2.145 -6.578 -4.475 1.00 64.14 H new ATOM 0 HG12 ILE A 15 1.848 -8.462 -2.112 1.00 45.31 H new ATOM 0 HG13 ILE A 15 0.588 -8.028 -3.250 1.00 45.31 H new ATOM 0 HG21 ILE A 15 4.235 -7.827 -3.993 1.00 41.20 H new ATOM 0 HG22 ILE A 15 4.399 -6.113 -3.545 1.00 41.20 H new ATOM 0 HG23 ILE A 15 4.130 -7.340 -2.285 1.00 41.20 H new ATOM 0 HD11 ILE A 15 1.516 -10.227 -3.766 1.00 4.00 H new ATOM 0 HD12 ILE A 15 1.862 -9.079 -5.081 1.00 4.00 H new ATOM 0 HD13 ILE A 15 3.141 -9.519 -3.925 1.00 4.00 H new ATOM 220 N LEU A 16 3.404 -3.915 -2.160 1.00 35.04 N ATOM 221 CA LEU A 16 4.008 -2.640 -2.455 1.00 15.15 C ATOM 222 C LEU A 16 5.129 -2.807 -3.465 1.00 61.14 C ATOM 223 O LEU A 16 5.606 -3.919 -3.696 1.00 71.01 O ATOM 224 CB LEU A 16 4.561 -2.012 -1.173 1.00 62.21 C ATOM 225 CG LEU A 16 3.554 -1.797 -0.043 1.00 33.54 C ATOM 226 CD1 LEU A 16 4.229 -1.161 1.160 1.00 63.04 C ATOM 227 CD2 LEU A 16 2.382 -0.952 -0.518 1.00 3.14 C ATOM 0 H LEU A 16 3.745 -4.352 -1.303 1.00 35.04 H new ATOM 0 HA LEU A 16 3.246 -1.985 -2.877 1.00 15.15 H new ATOM 0 HB2 LEU A 16 5.366 -2.645 -0.800 1.00 62.21 H new ATOM 0 HB3 LEU A 16 5.004 -1.049 -1.426 1.00 62.21 H new ATOM 0 HG LEU A 16 3.166 -2.770 0.260 1.00 33.54 H new ATOM 0 HD11 LEU A 16 3.496 -1.016 1.954 1.00 63.04 H new ATOM 0 HD12 LEU A 16 5.026 -1.813 1.517 1.00 63.04 H new ATOM 0 HD13 LEU A 16 4.650 -0.197 0.874 1.00 63.04 H new ATOM 0 HD21 LEU A 16 1.678 -0.812 0.302 1.00 3.14 H new ATOM 0 HD22 LEU A 16 2.746 0.019 -0.854 1.00 3.14 H new ATOM 0 HD23 LEU A 16 1.881 -1.457 -1.344 1.00 3.14 H new ATOM 239 N VAL A 17 5.563 -1.703 -4.052 1.00 11.32 N ATOM 240 CA VAL A 17 6.656 -1.721 -5.032 1.00 52.34 C ATOM 241 C VAL A 17 7.992 -2.055 -4.353 1.00 61.03 C ATOM 242 O VAL A 17 8.977 -2.410 -5.007 1.00 62.12 O ATOM 243 CB VAL A 17 6.762 -0.376 -5.800 1.00 1.13 C ATOM 244 CG1 VAL A 17 5.502 -0.124 -6.612 1.00 22.42 C ATOM 245 CG2 VAL A 17 7.013 0.785 -4.843 1.00 25.03 C ATOM 0 H VAL A 17 5.178 -0.776 -3.871 1.00 11.32 H new ATOM 0 HA VAL A 17 6.427 -2.501 -5.758 1.00 52.34 H new ATOM 0 HB VAL A 17 7.610 -0.446 -6.481 1.00 1.13 H new ATOM 0 HG11 VAL A 17 5.595 0.823 -7.143 1.00 22.42 H new ATOM 0 HG12 VAL A 17 5.365 -0.932 -7.331 1.00 22.42 H new ATOM 0 HG13 VAL A 17 4.641 -0.083 -5.945 1.00 22.42 H new ATOM 0 HG21 VAL A 17 7.083 1.714 -5.409 1.00 25.03 H new ATOM 0 HG22 VAL A 17 6.190 0.854 -4.131 1.00 25.03 H new ATOM 0 HG23 VAL A 17 7.946 0.617 -4.304 1.00 25.03 H new ATOM 255 N SER A 18 7.989 -1.964 -3.038 1.00 41.12 N ATOM 256 CA SER A 18 9.127 -2.256 -2.196 1.00 42.10 C ATOM 257 C SER A 18 9.288 -3.777 -2.016 1.00 44.10 C ATOM 258 O SER A 18 10.178 -4.237 -1.296 1.00 44.20 O ATOM 259 CB SER A 18 8.867 -1.598 -0.847 1.00 3.21 C ATOM 260 OG SER A 18 8.434 -0.259 -1.037 1.00 41.02 O ATOM 0 H SER A 18 7.165 -1.675 -2.511 1.00 41.12 H new ATOM 0 HA SER A 18 10.044 -1.876 -2.647 1.00 42.10 H new ATOM 0 HB2 SER A 18 8.111 -2.159 -0.299 1.00 3.21 H new ATOM 0 HB3 SER A 18 9.775 -1.614 -0.244 1.00 3.21 H new ATOM 0 HG SER A 18 8.267 0.158 -0.166 1.00 41.02 H new ATOM 266 N GLY A 19 8.403 -4.548 -2.669 1.00 32.30 N ATOM 267 CA GLY A 19 8.437 -5.994 -2.560 1.00 13.32 C ATOM 268 C GLY A 19 7.998 -6.433 -1.196 1.00 21.45 C ATOM 269 O GLY A 19 8.299 -7.540 -0.748 1.00 33.52 O ATOM 0 H GLY A 19 7.664 -4.186 -3.271 1.00 32.30 H new ATOM 0 HA2 GLY A 19 7.788 -6.436 -3.316 1.00 13.32 H new ATOM 0 HA3 GLY A 19 9.447 -6.355 -2.756 1.00 13.32 H new ATOM 273 N LYS A 20 7.300 -5.554 -0.537 1.00 4.22 N ATOM 274 CA LYS A 20 6.832 -5.773 0.791 1.00 41.03 C ATOM 275 C LYS A 20 5.350 -5.973 0.734 1.00 54.33 C ATOM 276 O LYS A 20 4.651 -5.231 0.031 1.00 13.52 O ATOM 277 CB LYS A 20 7.169 -4.561 1.666 1.00 33.02 C ATOM 278 CG LYS A 20 8.654 -4.208 1.727 1.00 71.20 C ATOM 279 CD LYS A 20 9.471 -5.364 2.249 1.00 75.32 C ATOM 280 CE LYS A 20 10.946 -5.023 2.385 1.00 42.02 C ATOM 281 NZ LYS A 20 11.610 -4.807 1.081 1.00 13.34 N ATOM 0 H LYS A 20 7.037 -4.646 -0.921 1.00 4.22 H new ATOM 0 HA LYS A 20 7.311 -6.652 1.223 1.00 41.03 H new ATOM 0 HB2 LYS A 20 6.620 -3.697 1.292 1.00 33.02 H new ATOM 0 HB3 LYS A 20 6.813 -4.751 2.679 1.00 33.02 H new ATOM 0 HG2 LYS A 20 9.005 -3.931 0.733 1.00 71.20 H new ATOM 0 HG3 LYS A 20 8.797 -3.339 2.369 1.00 71.20 H new ATOM 0 HD2 LYS A 20 9.082 -5.670 3.220 1.00 75.32 H new ATOM 0 HD3 LYS A 20 9.359 -6.216 1.578 1.00 75.32 H new ATOM 0 HE2 LYS A 20 11.051 -4.125 2.994 1.00 42.02 H new ATOM 0 HE3 LYS A 20 11.453 -5.829 2.916 1.00 42.02 H new ATOM 0 HZ1 LYS A 20 12.215 -5.624 0.860 1.00 13.34 H new ATOM 0 HZ2 LYS A 20 10.890 -4.698 0.339 1.00 13.34 H new ATOM 0 HZ3 LYS A 20 12.193 -3.947 1.126 1.00 13.34 H new ATOM 295 N THR A 21 4.861 -6.952 1.421 1.00 62.43 N ATOM 296 CA THR A 21 3.472 -7.234 1.374 1.00 11.21 C ATOM 297 C THR A 21 2.794 -6.852 2.675 1.00 31.52 C ATOM 298 O THR A 21 3.346 -7.062 3.774 1.00 35.14 O ATOM 299 CB THR A 21 3.208 -8.741 1.090 1.00 10.11 C ATOM 300 OG1 THR A 21 3.758 -9.551 2.141 1.00 51.54 O ATOM 301 CG2 THR A 21 3.831 -9.169 -0.225 1.00 61.40 C ATOM 0 H THR A 21 5.407 -7.569 2.022 1.00 62.43 H new ATOM 0 HA THR A 21 3.056 -6.640 0.560 1.00 11.21 H new ATOM 0 HB THR A 21 2.128 -8.878 1.037 1.00 10.11 H new ATOM 0 HG1 THR A 21 3.583 -10.496 1.951 1.00 51.54 H new ATOM 0 HG21 THR A 21 3.630 -10.227 -0.396 1.00 61.40 H new ATOM 0 HG22 THR A 21 3.404 -8.582 -1.038 1.00 61.40 H new ATOM 0 HG23 THR A 21 4.908 -9.006 -0.187 1.00 61.40 H new ATOM 309 N LYS A 22 1.648 -6.258 2.563 1.00 44.51 N ATOM 310 CA LYS A 22 0.800 -6.049 3.712 1.00 25.43 C ATOM 311 C LYS A 22 -0.536 -6.645 3.413 1.00 14.13 C ATOM 312 O LYS A 22 -1.031 -6.522 2.294 1.00 53.14 O ATOM 313 CB LYS A 22 0.625 -4.572 4.135 1.00 73.45 C ATOM 314 CG LYS A 22 1.874 -3.853 4.644 1.00 4.12 C ATOM 315 CD LYS A 22 1.468 -2.561 5.364 1.00 2.14 C ATOM 316 CE LYS A 22 2.657 -1.753 5.891 1.00 22.14 C ATOM 317 NZ LYS A 22 3.464 -1.168 4.804 1.00 62.43 N ATOM 0 H LYS A 22 1.269 -5.904 1.685 1.00 44.51 H new ATOM 0 HA LYS A 22 1.292 -6.530 4.558 1.00 25.43 H new ATOM 0 HB2 LYS A 22 0.237 -4.017 3.281 1.00 73.45 H new ATOM 0 HB3 LYS A 22 -0.135 -4.529 4.915 1.00 73.45 H new ATOM 0 HG2 LYS A 22 2.427 -4.501 5.324 1.00 4.12 H new ATOM 0 HG3 LYS A 22 2.538 -3.623 3.811 1.00 4.12 H new ATOM 0 HD2 LYS A 22 0.892 -1.939 4.679 1.00 2.14 H new ATOM 0 HD3 LYS A 22 0.811 -2.810 6.197 1.00 2.14 H new ATOM 0 HE2 LYS A 22 2.293 -0.956 6.539 1.00 22.14 H new ATOM 0 HE3 LYS A 22 3.289 -2.397 6.503 1.00 22.14 H new ATOM 0 HZ1 LYS A 22 4.067 -0.413 5.187 1.00 62.43 H new ATOM 0 HZ2 LYS A 22 4.061 -1.906 4.379 1.00 62.43 H new ATOM 0 HZ3 LYS A 22 2.833 -0.772 4.078 1.00 62.43 H new ATOM 331 N GLU A 23 -1.123 -7.290 4.364 1.00 14.23 N ATOM 332 CA GLU A 23 -2.385 -7.898 4.130 1.00 11.32 C ATOM 333 C GLU A 23 -3.320 -7.499 5.248 1.00 43.31 C ATOM 334 O GLU A 23 -2.962 -7.598 6.432 1.00 34.45 O ATOM 335 CB GLU A 23 -2.205 -9.407 4.083 1.00 11.32 C ATOM 336 CG GLU A 23 -3.378 -10.161 3.537 1.00 53.32 C ATOM 337 CD GLU A 23 -3.152 -11.645 3.587 1.00 53.25 C ATOM 338 OE1 GLU A 23 -2.396 -12.174 2.748 1.00 13.11 O ATOM 339 OE2 GLU A 23 -3.713 -12.306 4.469 1.00 0.22 O ATOM 0 H GLU A 23 -0.750 -7.409 5.306 1.00 14.23 H new ATOM 0 HA GLU A 23 -2.807 -7.571 3.180 1.00 11.32 H new ATOM 0 HB2 GLU A 23 -1.329 -9.636 3.476 1.00 11.32 H new ATOM 0 HB3 GLU A 23 -1.997 -9.766 5.091 1.00 11.32 H new ATOM 0 HG2 GLU A 23 -4.271 -9.909 4.108 1.00 53.32 H new ATOM 0 HG3 GLU A 23 -3.561 -9.855 2.507 1.00 53.32 H new ATOM 346 N PHE A 24 -4.483 -7.044 4.885 1.00 65.32 N ATOM 347 CA PHE A 24 -5.482 -6.583 5.830 1.00 11.03 C ATOM 348 C PHE A 24 -6.840 -6.925 5.320 1.00 3.22 C ATOM 349 O PHE A 24 -7.011 -7.197 4.123 1.00 74.35 O ATOM 350 CB PHE A 24 -5.419 -5.059 6.055 1.00 23.45 C ATOM 351 CG PHE A 24 -4.150 -4.533 6.661 1.00 54.24 C ATOM 352 CD1 PHE A 24 -3.938 -4.605 8.026 1.00 51.45 C ATOM 353 CD2 PHE A 24 -3.176 -3.956 5.867 1.00 44.40 C ATOM 354 CE1 PHE A 24 -2.778 -4.116 8.587 1.00 31.34 C ATOM 355 CE2 PHE A 24 -2.016 -3.464 6.423 1.00 14.01 C ATOM 356 CZ PHE A 24 -1.815 -3.546 7.784 1.00 60.02 C ATOM 0 H PHE A 24 -4.778 -6.978 3.911 1.00 65.32 H new ATOM 0 HA PHE A 24 -5.279 -7.077 6.780 1.00 11.03 H new ATOM 0 HB2 PHE A 24 -5.572 -4.564 5.096 1.00 23.45 H new ATOM 0 HB3 PHE A 24 -6.251 -4.772 6.698 1.00 23.45 H new ATOM 0 HD1 PHE A 24 -4.691 -5.050 8.660 1.00 51.45 H new ATOM 0 HD2 PHE A 24 -3.327 -3.890 4.800 1.00 44.40 H new ATOM 0 HE1 PHE A 24 -2.624 -4.180 9.654 1.00 31.34 H new ATOM 0 HE2 PHE A 24 -1.264 -3.014 5.792 1.00 14.01 H new ATOM 0 HZ PHE A 24 -0.904 -3.164 8.220 1.00 60.02 H new ATOM 366 N LEU A 25 -7.798 -6.954 6.196 1.00 65.43 N ATOM 367 CA LEU A 25 -9.140 -7.129 5.766 1.00 51.23 C ATOM 368 C LEU A 25 -9.647 -5.784 5.284 1.00 71.24 C ATOM 369 O LEU A 25 -9.576 -4.786 6.009 1.00 44.14 O ATOM 370 CB LEU A 25 -10.034 -7.625 6.912 1.00 51.30 C ATOM 371 CG LEU A 25 -9.633 -8.937 7.587 1.00 64.40 C ATOM 372 CD1 LEU A 25 -10.655 -9.318 8.643 1.00 33.21 C ATOM 373 CD2 LEU A 25 -9.471 -10.046 6.569 1.00 14.40 C ATOM 0 H LEU A 25 -7.671 -6.859 7.204 1.00 65.43 H new ATOM 0 HA LEU A 25 -9.171 -7.875 4.972 1.00 51.23 H new ATOM 0 HB2 LEU A 25 -10.068 -6.848 7.676 1.00 51.30 H new ATOM 0 HB3 LEU A 25 -11.047 -7.738 6.527 1.00 51.30 H new ATOM 0 HG LEU A 25 -8.669 -8.791 8.074 1.00 64.40 H new ATOM 0 HD11 LEU A 25 -10.358 -10.254 9.116 1.00 33.21 H new ATOM 0 HD12 LEU A 25 -10.710 -8.532 9.396 1.00 33.21 H new ATOM 0 HD13 LEU A 25 -11.632 -9.442 8.176 1.00 33.21 H new ATOM 0 HD21 LEU A 25 -9.186 -10.967 7.077 1.00 14.40 H new ATOM 0 HD22 LEU A 25 -10.414 -10.198 6.044 1.00 14.40 H new ATOM 0 HD23 LEU A 25 -8.697 -9.772 5.852 1.00 14.40 H new ATOM 385 N PHE A 26 -10.131 -5.753 4.092 1.00 73.11 N ATOM 386 CA PHE A 26 -10.697 -4.558 3.525 1.00 1.34 C ATOM 387 C PHE A 26 -12.056 -4.893 2.996 1.00 33.41 C ATOM 388 O PHE A 26 -12.403 -6.075 2.879 1.00 60.33 O ATOM 389 CB PHE A 26 -9.804 -3.950 2.417 1.00 14.44 C ATOM 390 CG PHE A 26 -8.498 -3.331 2.899 1.00 5.02 C ATOM 391 CD1 PHE A 26 -8.485 -2.047 3.428 1.00 34.33 C ATOM 392 CD2 PHE A 26 -7.290 -4.015 2.804 1.00 62.01 C ATOM 393 CE1 PHE A 26 -7.304 -1.461 3.848 1.00 22.34 C ATOM 394 CE2 PHE A 26 -6.114 -3.433 3.226 1.00 24.45 C ATOM 395 CZ PHE A 26 -6.116 -2.159 3.748 1.00 3.43 C ATOM 0 H PHE A 26 -10.150 -6.560 3.468 1.00 73.11 H new ATOM 0 HA PHE A 26 -10.769 -3.797 4.302 1.00 1.34 H new ATOM 0 HB2 PHE A 26 -9.571 -4.730 1.692 1.00 14.44 H new ATOM 0 HB3 PHE A 26 -10.376 -3.186 1.891 1.00 14.44 H new ATOM 0 HD1 PHE A 26 -9.411 -1.497 3.513 1.00 34.33 H new ATOM 0 HD2 PHE A 26 -7.274 -5.014 2.395 1.00 62.01 H new ATOM 0 HE1 PHE A 26 -7.311 -0.460 4.253 1.00 22.34 H new ATOM 0 HE2 PHE A 26 -5.186 -3.979 3.147 1.00 24.45 H new ATOM 0 HZ PHE A 26 -5.192 -1.707 4.078 1.00 3.43 H new ATOM 405 N SER A 27 -12.844 -3.917 2.696 1.00 44.10 N ATOM 406 CA SER A 27 -14.139 -4.209 2.210 1.00 1.55 C ATOM 407 C SER A 27 -14.079 -4.251 0.706 1.00 43.02 C ATOM 408 O SER A 27 -13.266 -3.552 0.097 1.00 74.25 O ATOM 409 CB SER A 27 -15.176 -3.180 2.694 1.00 61.40 C ATOM 410 OG SER A 27 -14.942 -1.894 2.162 1.00 0.13 O ATOM 0 H SER A 27 -12.615 -2.926 2.778 1.00 44.10 H new ATOM 0 HA SER A 27 -14.461 -5.175 2.598 1.00 1.55 H new ATOM 0 HB2 SER A 27 -16.174 -3.512 2.410 1.00 61.40 H new ATOM 0 HB3 SER A 27 -15.154 -3.130 3.783 1.00 61.40 H new ATOM 0 HG SER A 27 -14.084 -1.555 2.492 1.00 0.13 H new ATOM 416 N PRO A 28 -14.915 -5.059 0.073 1.00 33.32 N ATOM 417 CA PRO A 28 -14.962 -5.165 -1.382 1.00 3.23 C ATOM 418 C PRO A 28 -15.354 -3.837 -2.049 1.00 44.34 C ATOM 419 O PRO A 28 -15.217 -3.675 -3.268 1.00 4.55 O ATOM 420 CB PRO A 28 -16.020 -6.252 -1.616 1.00 61.44 C ATOM 421 CG PRO A 28 -16.849 -6.217 -0.385 1.00 14.50 C ATOM 422 CD PRO A 28 -15.878 -5.970 0.711 1.00 22.02 C ATOM 0 HA PRO A 28 -13.993 -5.408 -1.818 1.00 3.23 H new ATOM 0 HB2 PRO A 28 -16.616 -6.044 -2.505 1.00 61.44 H new ATOM 0 HB3 PRO A 28 -15.562 -7.230 -1.761 1.00 61.44 H new ATOM 0 HG2 PRO A 28 -17.600 -5.429 -0.435 1.00 14.50 H new ATOM 0 HG3 PRO A 28 -17.382 -7.156 -0.239 1.00 14.50 H new ATOM 0 HD2 PRO A 28 -16.353 -5.516 1.581 1.00 22.02 H new ATOM 0 HD3 PRO A 28 -15.404 -6.891 1.050 1.00 22.02 H new ATOM 430 N ASN A 29 -15.807 -2.892 -1.231 1.00 54.24 N ATOM 431 CA ASN A 29 -16.254 -1.593 -1.701 1.00 75.24 C ATOM 432 C ASN A 29 -15.126 -0.565 -1.667 1.00 14.22 C ATOM 433 O ASN A 29 -15.276 0.547 -2.198 1.00 34.31 O ATOM 434 CB ASN A 29 -17.430 -1.090 -0.860 1.00 74.31 C ATOM 435 CG ASN A 29 -18.641 -1.998 -0.916 1.00 70.45 C ATOM 436 OD1 ASN A 29 -18.885 -2.672 -1.912 1.00 4.42 O ATOM 437 ND2 ASN A 29 -19.399 -2.021 0.147 1.00 44.22 N ATOM 0 H ASN A 29 -15.873 -3.010 -0.220 1.00 54.24 H new ATOM 0 HA ASN A 29 -16.576 -1.717 -2.735 1.00 75.24 H new ATOM 0 HB2 ASN A 29 -17.109 -0.989 0.177 1.00 74.31 H new ATOM 0 HB3 ASN A 29 -17.714 -0.096 -1.204 1.00 74.31 H new ATOM 0 HD21 ASN A 29 -20.228 -2.614 0.169 1.00 44.22 H new ATOM 0 HD22 ASN A 29 -19.162 -1.446 0.955 1.00 44.22 H new ATOM 444 N ASP A 30 -14.003 -0.916 -1.044 1.00 51.43 N ATOM 445 CA ASP A 30 -12.854 0.006 -0.966 1.00 72.12 C ATOM 446 C ASP A 30 -12.145 0.106 -2.303 1.00 22.24 C ATOM 447 O ASP A 30 -12.210 -0.814 -3.124 1.00 1.11 O ATOM 448 CB ASP A 30 -11.834 -0.383 0.131 1.00 54.20 C ATOM 449 CG ASP A 30 -12.344 -0.237 1.543 1.00 42.35 C ATOM 450 OD1 ASP A 30 -12.597 0.905 1.987 1.00 70.12 O ATOM 451 OD2 ASP A 30 -12.467 -1.258 2.256 1.00 41.35 O ATOM 0 H ASP A 30 -13.857 -1.817 -0.589 1.00 51.43 H new ATOM 0 HA ASP A 30 -13.270 0.976 -0.696 1.00 72.12 H new ATOM 0 HB2 ASP A 30 -11.529 -1.418 -0.026 1.00 54.20 H new ATOM 0 HB3 ASP A 30 -10.943 0.234 0.015 1.00 54.20 H new ATOM 456 N SER A 31 -11.493 1.215 -2.540 1.00 73.22 N ATOM 457 CA SER A 31 -10.763 1.408 -3.768 1.00 44.20 C ATOM 458 C SER A 31 -9.354 0.844 -3.584 1.00 74.52 C ATOM 459 O SER A 31 -8.608 1.312 -2.740 1.00 60.44 O ATOM 460 CB SER A 31 -10.702 2.901 -4.091 1.00 33.44 C ATOM 461 OG SER A 31 -12.002 3.477 -4.121 1.00 64.51 O ATOM 0 H SER A 31 -11.452 2.004 -1.894 1.00 73.22 H new ATOM 0 HA SER A 31 -11.256 0.894 -4.593 1.00 44.20 H new ATOM 0 HB2 SER A 31 -10.093 3.412 -3.345 1.00 33.44 H new ATOM 0 HB3 SER A 31 -10.215 3.047 -5.055 1.00 33.44 H new ATOM 0 HG SER A 31 -11.932 4.432 -4.328 1.00 64.51 H new ATOM 467 N ALA A 32 -9.007 -0.154 -4.382 1.00 34.45 N ATOM 468 CA ALA A 32 -7.713 -0.862 -4.293 1.00 50.24 C ATOM 469 C ALA A 32 -6.511 0.090 -4.365 1.00 71.43 C ATOM 470 O ALA A 32 -5.528 -0.085 -3.650 1.00 70.21 O ATOM 471 CB ALA A 32 -7.639 -1.842 -5.422 1.00 41.41 C ATOM 0 H ALA A 32 -9.613 -0.508 -5.122 1.00 34.45 H new ATOM 0 HA ALA A 32 -7.664 -1.361 -3.325 1.00 50.24 H new ATOM 0 HB1 ALA A 32 -6.691 -2.378 -5.377 1.00 41.41 H new ATOM 0 HB2 ALA A 32 -8.461 -2.553 -5.341 1.00 41.41 H new ATOM 0 HB3 ALA A 32 -7.711 -1.310 -6.371 1.00 41.41 H new ATOM 477 N SER A 33 -6.600 1.087 -5.211 1.00 22.53 N ATOM 478 CA SER A 33 -5.527 2.041 -5.388 1.00 62.22 C ATOM 479 C SER A 33 -5.424 3.003 -4.192 1.00 53.32 C ATOM 480 O SER A 33 -4.334 3.447 -3.820 1.00 14.12 O ATOM 481 CB SER A 33 -5.749 2.765 -6.688 1.00 50.01 C ATOM 482 OG SER A 33 -7.100 3.199 -6.783 1.00 63.23 O ATOM 0 H SER A 33 -7.416 1.262 -5.797 1.00 22.53 H new ATOM 0 HA SER A 33 -4.570 1.521 -5.430 1.00 62.22 H new ATOM 0 HB2 SER A 33 -5.078 3.622 -6.755 1.00 50.01 H new ATOM 0 HB3 SER A 33 -5.511 2.108 -7.524 1.00 50.01 H new ATOM 0 HG SER A 33 -7.250 3.613 -7.658 1.00 63.23 H new ATOM 488 N ASP A 34 -6.562 3.301 -3.598 1.00 14.34 N ATOM 489 CA ASP A 34 -6.628 4.116 -2.383 1.00 3.24 C ATOM 490 C ASP A 34 -5.987 3.331 -1.259 1.00 72.12 C ATOM 491 O ASP A 34 -5.173 3.850 -0.478 1.00 4.32 O ATOM 492 CB ASP A 34 -8.094 4.397 -2.044 1.00 52.04 C ATOM 493 CG ASP A 34 -8.292 5.212 -0.784 1.00 14.11 C ATOM 494 OD1 ASP A 34 -8.399 4.612 0.319 1.00 30.33 O ATOM 495 OD2 ASP A 34 -8.395 6.449 -0.881 1.00 73.13 O ATOM 0 H ASP A 34 -7.472 2.989 -3.937 1.00 14.34 H new ATOM 0 HA ASP A 34 -6.108 5.063 -2.526 1.00 3.24 H new ATOM 0 HB2 ASP A 34 -8.555 4.923 -2.880 1.00 52.04 H new ATOM 0 HB3 ASP A 34 -8.619 3.448 -1.936 1.00 52.04 H new ATOM 500 N ILE A 35 -6.335 2.053 -1.217 1.00 1.12 N ATOM 501 CA ILE A 35 -5.794 1.120 -0.256 1.00 11.10 C ATOM 502 C ILE A 35 -4.286 1.010 -0.419 1.00 21.11 C ATOM 503 O ILE A 35 -3.577 0.951 0.561 1.00 61.03 O ATOM 504 CB ILE A 35 -6.402 -0.284 -0.414 1.00 65.54 C ATOM 505 CG1 ILE A 35 -7.906 -0.275 -0.204 1.00 3.44 C ATOM 506 CG2 ILE A 35 -5.757 -1.242 0.551 1.00 53.01 C ATOM 507 CD1 ILE A 35 -8.527 -1.637 -0.389 1.00 21.23 C ATOM 0 H ILE A 35 -7.009 1.636 -1.859 1.00 1.12 H new ATOM 0 HA ILE A 35 -6.045 1.503 0.733 1.00 11.10 H new ATOM 0 HB ILE A 35 -6.209 -0.611 -1.436 1.00 65.54 H new ATOM 0 HG12 ILE A 35 -8.126 0.087 0.800 1.00 3.44 H new ATOM 0 HG13 ILE A 35 -8.362 0.426 -0.903 1.00 3.44 H new ATOM 0 HG21 ILE A 35 -6.196 -2.232 0.429 1.00 53.01 H new ATOM 0 HG22 ILE A 35 -4.686 -1.293 0.352 1.00 53.01 H new ATOM 0 HG23 ILE A 35 -5.921 -0.896 1.572 1.00 53.01 H new ATOM 0 HD11 ILE A 35 -9.603 -1.571 -0.227 1.00 21.23 H new ATOM 0 HD12 ILE A 35 -8.333 -1.991 -1.402 1.00 21.23 H new ATOM 0 HD13 ILE A 35 -8.094 -2.335 0.328 1.00 21.23 H new ATOM 519 N ALA A 36 -3.814 0.966 -1.660 1.00 53.13 N ATOM 520 CA ALA A 36 -2.390 0.935 -1.963 1.00 44.34 C ATOM 521 C ALA A 36 -1.643 2.036 -1.220 1.00 24.24 C ATOM 522 O ALA A 36 -0.567 1.808 -0.710 1.00 74.12 O ATOM 523 CB ALA A 36 -2.159 1.070 -3.459 1.00 52.13 C ATOM 0 H ALA A 36 -4.412 0.951 -2.486 1.00 53.13 H new ATOM 0 HA ALA A 36 -2.002 -0.027 -1.629 1.00 44.34 H new ATOM 0 HB1 ALA A 36 -1.089 1.045 -3.666 1.00 52.13 H new ATOM 0 HB2 ALA A 36 -2.649 0.246 -3.979 1.00 52.13 H new ATOM 0 HB3 ALA A 36 -2.574 2.016 -3.807 1.00 52.13 H new ATOM 529 N LYS A 37 -2.238 3.216 -1.139 1.00 61.04 N ATOM 530 CA LYS A 37 -1.641 4.320 -0.431 1.00 41.32 C ATOM 531 C LYS A 37 -1.728 4.094 1.082 1.00 52.31 C ATOM 532 O LYS A 37 -0.797 4.401 1.829 1.00 23.55 O ATOM 533 CB LYS A 37 -2.315 5.622 -0.845 1.00 30.32 C ATOM 534 CG LYS A 37 -2.154 5.949 -2.329 1.00 42.23 C ATOM 535 CD LYS A 37 -2.726 7.314 -2.681 1.00 32.45 C ATOM 536 CE LYS A 37 -1.975 8.424 -1.977 1.00 55.31 C ATOM 537 NZ LYS A 37 -2.527 9.742 -2.269 1.00 12.22 N ATOM 0 H LYS A 37 -3.142 3.427 -1.562 1.00 61.04 H new ATOM 0 HA LYS A 37 -0.585 4.388 -0.690 1.00 41.32 H new ATOM 0 HB2 LYS A 37 -3.377 5.563 -0.608 1.00 30.32 H new ATOM 0 HB3 LYS A 37 -1.901 6.439 -0.254 1.00 30.32 H new ATOM 0 HG2 LYS A 37 -1.097 5.921 -2.593 1.00 42.23 H new ATOM 0 HG3 LYS A 37 -2.652 5.184 -2.924 1.00 42.23 H new ATOM 0 HD2 LYS A 37 -2.675 7.465 -3.759 1.00 32.45 H new ATOM 0 HD3 LYS A 37 -3.779 7.352 -2.403 1.00 32.45 H new ATOM 0 HE2 LYS A 37 -2.003 8.252 -0.901 1.00 55.31 H new ATOM 0 HE3 LYS A 37 -0.927 8.397 -2.277 1.00 55.31 H new ATOM 0 HZ1 LYS A 37 -1.979 10.468 -1.764 1.00 12.22 H new ATOM 0 HZ2 LYS A 37 -2.477 9.920 -3.292 1.00 12.22 H new ATOM 0 HZ3 LYS A 37 -3.519 9.779 -1.959 1.00 12.22 H new ATOM 551 N HIS A 38 -2.859 3.538 1.502 1.00 51.33 N ATOM 552 CA HIS A 38 -3.150 3.169 2.902 1.00 40.43 C ATOM 553 C HIS A 38 -2.101 2.154 3.419 1.00 1.55 C ATOM 554 O HIS A 38 -1.520 2.326 4.484 1.00 73.55 O ATOM 555 CB HIS A 38 -4.586 2.554 2.943 1.00 0.24 C ATOM 556 CG HIS A 38 -5.099 2.054 4.278 1.00 10.24 C ATOM 557 ND1 HIS A 38 -6.239 2.537 4.872 1.00 53.54 N ATOM 558 CD2 HIS A 38 -4.660 1.061 5.082 1.00 34.21 C ATOM 559 CE1 HIS A 38 -6.470 1.870 5.986 1.00 13.32 C ATOM 560 NE2 HIS A 38 -5.528 0.969 6.136 1.00 42.53 N ATOM 0 H HIS A 38 -3.627 3.321 0.867 1.00 51.33 H new ATOM 0 HA HIS A 38 -3.101 4.046 3.547 1.00 40.43 H new ATOM 0 HB2 HIS A 38 -5.284 3.306 2.576 1.00 0.24 H new ATOM 0 HB3 HIS A 38 -4.615 1.722 2.239 1.00 0.24 H new ATOM 0 HD2 HIS A 38 -3.783 0.451 4.922 1.00 34.21 H new ATOM 0 HE1 HIS A 38 -7.296 2.037 6.661 1.00 13.32 H new ATOM 0 HE2 HIS A 38 -5.455 0.309 6.910 1.00 42.53 H new ATOM 569 N VAL A 39 -1.889 1.114 2.654 1.00 45.20 N ATOM 570 CA VAL A 39 -0.950 0.055 2.985 1.00 43.21 C ATOM 571 C VAL A 39 0.503 0.477 2.755 1.00 53.03 C ATOM 572 O VAL A 39 1.408 -0.018 3.428 1.00 52.01 O ATOM 573 CB VAL A 39 -1.271 -1.258 2.251 1.00 52.22 C ATOM 574 CG1 VAL A 39 -2.632 -1.790 2.707 1.00 43.12 C ATOM 575 CG2 VAL A 39 -1.282 -1.029 0.776 1.00 22.34 C ATOM 0 H VAL A 39 -2.369 0.970 1.766 1.00 45.20 H new ATOM 0 HA VAL A 39 -1.068 -0.133 4.052 1.00 43.21 H new ATOM 0 HB VAL A 39 -0.503 -1.994 2.489 1.00 52.22 H new ATOM 0 HG11 VAL A 39 -2.853 -2.720 2.183 1.00 43.12 H new ATOM 0 HG12 VAL A 39 -2.609 -1.975 3.781 1.00 43.12 H new ATOM 0 HG13 VAL A 39 -3.404 -1.054 2.482 1.00 43.12 H new ATOM 0 HG21 VAL A 39 -1.510 -1.964 0.264 1.00 22.34 H new ATOM 0 HG22 VAL A 39 -2.040 -0.286 0.529 1.00 22.34 H new ATOM 0 HG23 VAL A 39 -0.304 -0.670 0.456 1.00 22.34 H new ATOM 585 N TYR A 40 0.711 1.369 1.775 1.00 71.00 N ATOM 586 CA TYR A 40 2.052 1.904 1.418 1.00 54.22 C ATOM 587 C TYR A 40 2.811 2.343 2.669 1.00 21.00 C ATOM 588 O TYR A 40 3.963 1.960 2.866 1.00 24.33 O ATOM 589 CB TYR A 40 1.893 3.098 0.455 1.00 12.11 C ATOM 590 CG TYR A 40 3.168 3.615 -0.192 1.00 44.30 C ATOM 591 CD1 TYR A 40 3.597 3.091 -1.404 1.00 63.24 C ATOM 592 CD2 TYR A 40 3.922 4.638 0.381 1.00 73.41 C ATOM 593 CE1 TYR A 40 4.736 3.559 -2.027 1.00 1.10 C ATOM 594 CE2 TYR A 40 5.064 5.119 -0.244 1.00 3.12 C ATOM 595 CZ TYR A 40 5.464 4.572 -1.450 1.00 13.54 C ATOM 596 OH TYR A 40 6.592 5.050 -2.091 1.00 64.04 O ATOM 0 H TYR A 40 -0.043 1.747 1.201 1.00 71.00 H new ATOM 0 HA TYR A 40 2.623 1.115 0.929 1.00 54.22 H new ATOM 0 HB2 TYR A 40 1.200 2.810 -0.336 1.00 12.11 H new ATOM 0 HB3 TYR A 40 1.429 3.919 1.002 1.00 12.11 H new ATOM 0 HD1 TYR A 40 3.027 2.300 -1.869 1.00 63.24 H new ATOM 0 HD2 TYR A 40 3.613 5.062 1.325 1.00 73.41 H new ATOM 0 HE1 TYR A 40 5.055 3.130 -2.966 1.00 1.10 H new ATOM 0 HE2 TYR A 40 5.637 5.915 0.208 1.00 3.12 H new ATOM 0 HH TYR A 40 6.994 5.765 -1.555 1.00 64.04 H new ATOM 870 N LEU A 58 -2.340 6.260 -9.317 1.00 11.02 N ATOM 871 CA LEU A 58 -3.226 5.241 -8.788 1.00 34.11 C ATOM 872 C LEU A 58 -3.476 4.167 -9.826 1.00 32.23 C ATOM 873 O LEU A 58 -4.329 4.333 -10.703 1.00 5.42 O ATOM 874 CB LEU A 58 -4.576 5.857 -8.362 1.00 54.25 C ATOM 875 CG LEU A 58 -4.555 6.882 -7.226 1.00 44.35 C ATOM 876 CD1 LEU A 58 -5.939 7.473 -7.029 1.00 70.13 C ATOM 877 CD2 LEU A 58 -4.084 6.237 -5.933 1.00 3.40 C ATOM 0 HA LEU A 58 -2.743 4.799 -7.916 1.00 34.11 H new ATOM 0 HB2 LEU A 58 -5.020 6.332 -9.236 1.00 54.25 H new ATOM 0 HB3 LEU A 58 -5.240 5.044 -8.070 1.00 54.25 H new ATOM 0 HG LEU A 58 -3.860 7.678 -7.495 1.00 44.35 H new ATOM 0 HD11 LEU A 58 -5.912 8.201 -6.218 1.00 70.13 H new ATOM 0 HD12 LEU A 58 -6.259 7.965 -7.948 1.00 70.13 H new ATOM 0 HD13 LEU A 58 -6.642 6.678 -6.780 1.00 70.13 H new ATOM 0 HD21 LEU A 58 -4.076 6.982 -5.137 1.00 3.40 H new ATOM 0 HD22 LEU A 58 -4.760 5.425 -5.664 1.00 3.40 H new ATOM 0 HD23 LEU A 58 -3.078 5.841 -6.070 1.00 3.40 H new ATOM 889 N ARG A 59 -2.685 3.116 -9.779 1.00 15.32 N ATOM 890 CA ARG A 59 -2.838 1.955 -10.658 1.00 52.31 C ATOM 891 C ARG A 59 -2.837 0.690 -9.848 1.00 62.52 C ATOM 892 O ARG A 59 -2.207 0.622 -8.790 1.00 64.50 O ATOM 893 CB ARG A 59 -1.752 1.870 -11.766 1.00 32.14 C ATOM 894 CG ARG A 59 -2.024 2.661 -13.046 1.00 23.11 C ATOM 895 CD ARG A 59 -2.158 4.133 -12.803 1.00 23.33 C ATOM 896 NE ARG A 59 -2.500 4.864 -14.017 1.00 55.45 N ATOM 897 CZ ARG A 59 -3.484 5.770 -14.102 1.00 21.42 C ATOM 898 NH1 ARG A 59 -4.304 5.983 -13.064 1.00 51.15 N ATOM 899 NH2 ARG A 59 -3.654 6.454 -15.223 1.00 71.44 N ATOM 0 H ARG A 59 -1.906 3.034 -9.125 1.00 15.32 H new ATOM 0 HA ARG A 59 -3.795 2.079 -11.165 1.00 52.31 H new ATOM 0 HB2 ARG A 59 -0.807 2.215 -11.346 1.00 32.14 H new ATOM 0 HB3 ARG A 59 -1.618 0.822 -12.034 1.00 32.14 H new ATOM 0 HG2 ARG A 59 -1.214 2.487 -13.754 1.00 23.11 H new ATOM 0 HG3 ARG A 59 -2.938 2.290 -13.510 1.00 23.11 H new ATOM 0 HD2 ARG A 59 -2.925 4.306 -12.049 1.00 23.33 H new ATOM 0 HD3 ARG A 59 -1.222 4.519 -12.400 1.00 23.33 H new ATOM 0 HE ARG A 59 -1.954 4.673 -14.857 1.00 55.45 H new ATOM 0 HH11 ARG A 59 -4.182 5.454 -12.201 1.00 51.15 H new ATOM 0 HH12 ARG A 59 -5.050 6.674 -13.137 1.00 51.15 H new ATOM 0 HH21 ARG A 59 -3.037 6.291 -16.019 1.00 71.44 H new ATOM 0 HH22 ARG A 59 -4.402 7.144 -15.291 1.00 71.44 H new ATOM 913 N LEU A 60 -3.523 -0.307 -10.328 1.00 51.11 N ATOM 914 CA LEU A 60 -3.616 -1.551 -9.621 1.00 45.41 C ATOM 915 C LEU A 60 -3.423 -2.717 -10.549 1.00 14.00 C ATOM 916 O LEU A 60 -3.885 -2.699 -11.684 1.00 54.24 O ATOM 917 CB LEU A 60 -4.945 -1.629 -8.824 1.00 31.51 C ATOM 918 CG LEU A 60 -6.272 -1.472 -9.601 1.00 15.10 C ATOM 919 CD1 LEU A 60 -6.631 -2.709 -10.419 1.00 35.23 C ATOM 920 CD2 LEU A 60 -7.384 -1.128 -8.665 1.00 24.24 C ATOM 0 H LEU A 60 -4.030 -0.281 -11.213 1.00 51.11 H new ATOM 0 HA LEU A 60 -2.807 -1.601 -8.893 1.00 45.41 H new ATOM 0 HB2 LEU A 60 -4.970 -2.591 -8.312 1.00 31.51 H new ATOM 0 HB3 LEU A 60 -4.917 -0.859 -8.053 1.00 31.51 H new ATOM 0 HG LEU A 60 -6.127 -0.657 -10.310 1.00 15.10 H new ATOM 0 HD11 LEU A 60 -7.572 -2.539 -10.942 1.00 35.23 H new ATOM 0 HD12 LEU A 60 -5.843 -2.906 -11.145 1.00 35.23 H new ATOM 0 HD13 LEU A 60 -6.735 -3.567 -9.755 1.00 35.23 H new ATOM 0 HD21 LEU A 60 -8.312 -1.021 -9.226 1.00 24.24 H new ATOM 0 HD22 LEU A 60 -7.497 -1.922 -7.926 1.00 24.24 H new ATOM 0 HD23 LEU A 60 -7.156 -0.190 -8.158 1.00 24.24 H new ATOM 932 N ILE A 61 -2.728 -3.700 -10.085 1.00 63.45 N ATOM 933 CA ILE A 61 -2.478 -4.886 -10.842 1.00 44.43 C ATOM 934 C ILE A 61 -3.194 -6.039 -10.197 1.00 0.42 C ATOM 935 O ILE A 61 -2.967 -6.362 -9.019 1.00 1.35 O ATOM 936 CB ILE A 61 -0.968 -5.179 -10.905 1.00 14.45 C ATOM 937 CG1 ILE A 61 -0.260 -4.038 -11.607 1.00 25.22 C ATOM 938 CG2 ILE A 61 -0.686 -6.504 -11.613 1.00 11.21 C ATOM 939 CD1 ILE A 61 1.250 -4.101 -11.543 1.00 71.31 C ATOM 0 H ILE A 61 -2.310 -3.705 -9.155 1.00 63.45 H new ATOM 0 HA ILE A 61 -2.843 -4.745 -11.859 1.00 44.43 H new ATOM 0 HB ILE A 61 -0.590 -5.267 -9.887 1.00 14.45 H new ATOM 0 HG12 ILE A 61 -0.566 -4.026 -12.653 1.00 25.22 H new ATOM 0 HG13 ILE A 61 -0.590 -3.097 -11.167 1.00 25.22 H new ATOM 0 HG21 ILE A 61 0.389 -6.680 -11.640 1.00 11.21 H new ATOM 0 HG22 ILE A 61 -1.173 -7.316 -11.073 1.00 11.21 H new ATOM 0 HG23 ILE A 61 -1.073 -6.462 -12.631 1.00 11.21 H new ATOM 0 HD11 ILE A 61 1.673 -3.246 -12.071 1.00 71.31 H new ATOM 0 HD12 ILE A 61 1.571 -4.080 -10.502 1.00 71.31 H new ATOM 0 HD13 ILE A 61 1.596 -5.023 -12.010 1.00 71.31 H new ATOM 951 N TYR A 62 -4.033 -6.668 -10.941 1.00 13.52 N ATOM 952 CA TYR A 62 -4.759 -7.774 -10.442 1.00 1.41 C ATOM 953 C TYR A 62 -4.082 -9.012 -10.954 1.00 25.50 C ATOM 954 O TYR A 62 -4.355 -9.494 -12.066 1.00 65.23 O ATOM 955 CB TYR A 62 -6.233 -7.692 -10.853 1.00 75.01 C ATOM 956 CG TYR A 62 -7.128 -8.755 -10.251 1.00 72.31 C ATOM 957 CD1 TYR A 62 -7.143 -8.976 -8.884 1.00 2.10 C ATOM 958 CD2 TYR A 62 -7.965 -9.527 -11.048 1.00 22.12 C ATOM 959 CE1 TYR A 62 -7.956 -9.928 -8.323 1.00 51.32 C ATOM 960 CE2 TYR A 62 -8.788 -10.482 -10.494 1.00 74.42 C ATOM 961 CZ TYR A 62 -8.779 -10.680 -9.130 1.00 74.11 C ATOM 962 OH TYR A 62 -9.602 -11.631 -8.570 1.00 55.54 O ATOM 0 H TYR A 62 -4.233 -6.428 -11.912 1.00 13.52 H new ATOM 0 HA TYR A 62 -4.762 -7.786 -9.352 1.00 1.41 H new ATOM 0 HB2 TYR A 62 -6.619 -6.712 -10.571 1.00 75.01 H new ATOM 0 HB3 TYR A 62 -6.296 -7.759 -11.939 1.00 75.01 H new ATOM 0 HD1 TYR A 62 -6.501 -8.386 -8.246 1.00 2.10 H new ATOM 0 HD2 TYR A 62 -7.970 -9.376 -12.117 1.00 22.12 H new ATOM 0 HE1 TYR A 62 -7.950 -10.086 -7.255 1.00 51.32 H new ATOM 0 HE2 TYR A 62 -9.437 -11.072 -11.124 1.00 74.42 H new ATOM 0 HH TYR A 62 -10.536 -11.418 -8.777 1.00 55.54 H new ATOM 972 N GLN A 63 -3.103 -9.430 -10.166 1.00 3.21 N ATOM 973 CA GLN A 63 -2.244 -10.519 -10.385 1.00 64.24 C ATOM 974 C GLN A 63 -1.253 -10.279 -11.548 1.00 61.43 C ATOM 975 O GLN A 63 -0.041 -10.265 -11.336 1.00 30.53 O ATOM 976 CB GLN A 63 -2.972 -11.821 -10.533 1.00 31.55 C ATOM 977 CG GLN A 63 -2.001 -12.915 -10.565 1.00 21.03 C ATOM 978 CD GLN A 63 -2.608 -14.254 -10.936 1.00 71.23 C ATOM 979 OE1 GLN A 63 -3.590 -14.329 -11.672 1.00 33.53 O ATOM 980 NE2 GLN A 63 -2.040 -15.306 -10.429 1.00 2.21 N ATOM 0 H GLN A 63 -2.895 -8.955 -9.288 1.00 3.21 H new ATOM 0 HA GLN A 63 -1.647 -10.600 -9.477 1.00 64.24 H new ATOM 0 HB2 GLN A 63 -3.666 -11.959 -9.704 1.00 31.55 H new ATOM 0 HB3 GLN A 63 -3.564 -11.818 -11.448 1.00 31.55 H new ATOM 0 HG2 GLN A 63 -1.215 -12.671 -11.280 1.00 21.03 H new ATOM 0 HG3 GLN A 63 -1.528 -12.998 -9.587 1.00 21.03 H new ATOM 0 HE21 GLN A 63 -1.226 -15.204 -9.822 1.00 2.21 H new ATOM 0 HE22 GLN A 63 -2.407 -16.234 -10.638 1.00 2.21 H new ATOM 989 N GLY A 64 -1.763 -10.080 -12.749 1.00 13.43 N ATOM 990 CA GLY A 64 -0.892 -9.912 -13.889 1.00 31.51 C ATOM 991 C GLY A 64 -1.114 -8.627 -14.671 1.00 51.32 C ATOM 992 O GLY A 64 -0.178 -8.112 -15.281 1.00 73.34 O ATOM 0 H GLY A 64 -2.761 -10.032 -12.956 1.00 13.43 H new ATOM 0 HA2 GLY A 64 0.142 -9.939 -13.547 1.00 31.51 H new ATOM 0 HA3 GLY A 64 -1.028 -10.759 -14.561 1.00 31.51 H new ATOM 996 N ARG A 65 -2.322 -8.088 -14.669 1.00 51.13 N ATOM 997 CA ARG A 65 -2.570 -6.881 -15.467 1.00 5.44 C ATOM 998 C ARG A 65 -3.256 -5.796 -14.658 1.00 61.03 C ATOM 999 O ARG A 65 -3.858 -6.073 -13.611 1.00 20.54 O ATOM 1000 CB ARG A 65 -3.378 -7.173 -16.766 1.00 11.44 C ATOM 1001 CG ARG A 65 -4.886 -7.462 -16.606 1.00 42.43 C ATOM 1002 CD ARG A 65 -5.183 -8.682 -15.760 1.00 74.14 C ATOM 1003 NE ARG A 65 -6.621 -8.970 -15.702 1.00 2.30 N ATOM 1004 CZ ARG A 65 -7.193 -9.942 -14.975 1.00 53.44 C ATOM 1005 NH1 ARG A 65 -6.454 -10.715 -14.191 1.00 11.52 N ATOM 1006 NH2 ARG A 65 -8.504 -10.124 -15.024 1.00 55.02 N ATOM 0 H ARG A 65 -3.124 -8.444 -14.148 1.00 51.13 H new ATOM 0 HA ARG A 65 -1.586 -6.519 -15.765 1.00 5.44 H new ATOM 0 HB2 ARG A 65 -3.266 -6.318 -17.433 1.00 11.44 H new ATOM 0 HB3 ARG A 65 -2.921 -8.028 -17.264 1.00 11.44 H new ATOM 0 HG2 ARG A 65 -5.368 -6.593 -16.158 1.00 42.43 H new ATOM 0 HG3 ARG A 65 -5.328 -7.598 -17.593 1.00 42.43 H new ATOM 0 HD2 ARG A 65 -4.656 -9.544 -16.169 1.00 74.14 H new ATOM 0 HD3 ARG A 65 -4.803 -8.525 -14.750 1.00 74.14 H new ATOM 0 HE ARG A 65 -7.238 -8.381 -16.262 1.00 2.30 H new ATOM 0 HH11 ARG A 65 -5.445 -10.572 -14.138 1.00 11.52 H new ATOM 0 HH12 ARG A 65 -6.894 -11.452 -13.641 1.00 11.52 H new ATOM 0 HH21 ARG A 65 -9.080 -9.525 -15.615 1.00 55.02 H new ATOM 0 HH22 ARG A 65 -8.937 -10.863 -14.471 1.00 55.02 H new ATOM 1020 N PHE A 66 -3.176 -4.579 -15.149 1.00 74.23 N ATOM 1021 CA PHE A 66 -3.812 -3.448 -14.516 1.00 10.40 C ATOM 1022 C PHE A 66 -5.286 -3.432 -14.924 1.00 2.21 C ATOM 1023 O PHE A 66 -5.601 -3.311 -16.120 1.00 54.11 O ATOM 1024 CB PHE A 66 -3.154 -2.123 -14.965 1.00 2.33 C ATOM 1025 CG PHE A 66 -1.665 -1.971 -14.697 1.00 14.33 C ATOM 1026 CD1 PHE A 66 -0.733 -2.446 -15.604 1.00 72.35 C ATOM 1027 CD2 PHE A 66 -1.204 -1.323 -13.559 1.00 65.43 C ATOM 1028 CE1 PHE A 66 0.618 -2.283 -15.385 1.00 64.23 C ATOM 1029 CE2 PHE A 66 0.149 -1.163 -13.338 1.00 51.23 C ATOM 1030 CZ PHE A 66 1.059 -1.641 -14.252 1.00 14.24 C ATOM 0 H PHE A 66 -2.666 -4.347 -16.001 1.00 74.23 H new ATOM 0 HA PHE A 66 -3.706 -3.539 -13.435 1.00 10.40 H new ATOM 0 HB2 PHE A 66 -3.320 -2.007 -16.036 1.00 2.33 H new ATOM 0 HB3 PHE A 66 -3.673 -1.302 -14.472 1.00 2.33 H new ATOM 0 HD1 PHE A 66 -1.070 -2.952 -16.497 1.00 72.35 H new ATOM 0 HD2 PHE A 66 -1.912 -0.940 -12.839 1.00 65.43 H new ATOM 0 HE1 PHE A 66 1.331 -2.660 -16.104 1.00 64.23 H new ATOM 0 HE2 PHE A 66 0.494 -0.662 -12.446 1.00 51.23 H new ATOM 0 HZ PHE A 66 2.117 -1.512 -14.080 1.00 14.24 H new ATOM 1040 N LEU A 67 -6.188 -3.580 -13.970 1.00 52.21 N ATOM 1041 CA LEU A 67 -7.623 -3.586 -14.320 1.00 71.35 C ATOM 1042 C LEU A 67 -8.209 -2.203 -14.527 1.00 22.45 C ATOM 1043 O LEU A 67 -8.886 -1.969 -15.533 1.00 55.42 O ATOM 1044 CB LEU A 67 -8.505 -4.388 -13.349 1.00 40.34 C ATOM 1045 CG LEU A 67 -8.354 -5.909 -13.369 1.00 14.14 C ATOM 1046 CD1 LEU A 67 -9.353 -6.539 -12.415 1.00 64.02 C ATOM 1047 CD2 LEU A 67 -8.571 -6.446 -14.771 1.00 51.42 C ATOM 0 H LEU A 67 -5.979 -3.695 -12.978 1.00 52.21 H new ATOM 0 HA LEU A 67 -7.638 -4.103 -15.279 1.00 71.35 H new ATOM 0 HB2 LEU A 67 -8.297 -4.040 -12.337 1.00 40.34 H new ATOM 0 HB3 LEU A 67 -9.547 -4.148 -13.561 1.00 40.34 H new ATOM 0 HG LEU A 67 -7.343 -6.163 -13.051 1.00 14.14 H new ATOM 0 HD11 LEU A 67 -9.240 -7.623 -12.434 1.00 64.02 H new ATOM 0 HD12 LEU A 67 -9.172 -6.173 -11.404 1.00 64.02 H new ATOM 0 HD13 LEU A 67 -10.365 -6.274 -12.721 1.00 64.02 H new ATOM 0 HD21 LEU A 67 -8.460 -7.530 -14.767 1.00 51.42 H new ATOM 0 HD22 LEU A 67 -9.574 -6.186 -15.109 1.00 51.42 H new ATOM 0 HD23 LEU A 67 -7.835 -6.009 -15.446 1.00 51.42 H new ATOM 1059 N HIS A 68 -7.937 -1.292 -13.600 1.00 62.21 N ATOM 1060 CA HIS A 68 -8.462 0.076 -13.650 1.00 14.41 C ATOM 1061 C HIS A 68 -7.967 0.802 -12.410 1.00 33.32 C ATOM 1062 O HIS A 68 -8.068 0.282 -11.322 1.00 63.13 O ATOM 1063 CB HIS A 68 -10.016 0.064 -13.673 1.00 25.51 C ATOM 1064 CG HIS A 68 -10.670 1.392 -13.958 1.00 52.43 C ATOM 1065 ND1 HIS A 68 -11.336 1.660 -15.131 1.00 41.21 N ATOM 1066 CD2 HIS A 68 -10.783 2.513 -13.210 1.00 45.23 C ATOM 1067 CE1 HIS A 68 -11.822 2.880 -15.092 1.00 10.14 C ATOM 1068 NE2 HIS A 68 -11.500 3.419 -13.934 1.00 30.24 N ATOM 0 H HIS A 68 -7.346 -1.477 -12.790 1.00 62.21 H new ATOM 0 HA HIS A 68 -8.120 0.578 -14.555 1.00 14.41 H new ATOM 0 HB2 HIS A 68 -10.346 -0.653 -14.425 1.00 25.51 H new ATOM 0 HB3 HIS A 68 -10.374 -0.298 -12.709 1.00 25.51 H new ATOM 0 HD2 HIS A 68 -10.379 2.663 -12.220 1.00 45.23 H new ATOM 0 HE1 HIS A 68 -12.389 3.359 -15.876 1.00 10.14 H new ATOM 0 HE2 HIS A 68 -11.747 4.360 -13.629 1.00 30.24 H new ATOM 1077 N GLY A 69 -7.486 1.997 -12.598 1.00 11.00 N ATOM 1078 CA GLY A 69 -6.852 2.822 -11.555 1.00 61.54 C ATOM 1079 C GLY A 69 -7.657 3.127 -10.270 1.00 73.11 C ATOM 1080 O GLY A 69 -7.160 3.852 -9.405 1.00 72.51 O ATOM 0 H GLY A 69 -7.515 2.460 -13.507 1.00 11.00 H new ATOM 0 HA2 GLY A 69 -5.926 2.329 -11.258 1.00 61.54 H new ATOM 0 HA3 GLY A 69 -6.575 3.774 -12.007 1.00 61.54 H new ATOM 1084 N ASN A 70 -8.869 2.619 -10.135 1.00 33.32 N ATOM 1085 CA ASN A 70 -9.725 3.009 -9.005 1.00 54.33 C ATOM 1086 C ASN A 70 -10.856 1.986 -8.849 1.00 13.12 C ATOM 1087 O ASN A 70 -11.870 2.245 -8.231 1.00 44.41 O ATOM 1088 CB ASN A 70 -10.292 4.432 -9.279 1.00 70.23 C ATOM 1089 CG ASN A 70 -10.987 5.090 -8.085 1.00 63.41 C ATOM 1090 OD1 ASN A 70 -10.340 5.749 -7.274 1.00 53.25 O ATOM 1091 ND2 ASN A 70 -12.289 4.970 -7.991 1.00 74.33 N ATOM 0 H ASN A 70 -9.287 1.946 -10.777 1.00 33.32 H new ATOM 0 HA ASN A 70 -9.153 3.029 -8.077 1.00 54.33 H new ATOM 0 HB2 ASN A 70 -9.475 5.076 -9.605 1.00 70.23 H new ATOM 0 HB3 ASN A 70 -11.000 4.372 -10.105 1.00 70.23 H new ATOM 0 HD21 ASN A 70 -12.790 5.430 -7.231 1.00 74.33 H new ATOM 0 HD22 ASN A 70 -12.801 4.417 -8.678 1.00 74.33 H new ATOM 1098 N VAL A 71 -10.656 0.801 -9.382 1.00 31.14 N ATOM 1099 CA VAL A 71 -11.694 -0.202 -9.320 1.00 40.22 C ATOM 1100 C VAL A 71 -11.675 -0.900 -7.951 1.00 52.45 C ATOM 1101 O VAL A 71 -10.606 -1.063 -7.333 1.00 64.34 O ATOM 1102 CB VAL A 71 -11.611 -1.210 -10.516 1.00 21.31 C ATOM 1103 CG1 VAL A 71 -10.319 -1.978 -10.541 1.00 2.21 C ATOM 1104 CG2 VAL A 71 -12.782 -2.148 -10.540 1.00 43.33 C ATOM 0 H VAL A 71 -9.800 0.512 -9.855 1.00 31.14 H new ATOM 0 HA VAL A 71 -12.659 0.295 -9.424 1.00 40.22 H new ATOM 0 HB VAL A 71 -11.643 -0.601 -11.420 1.00 21.31 H new ATOM 0 HG11 VAL A 71 -10.318 -2.661 -11.391 1.00 2.21 H new ATOM 0 HG12 VAL A 71 -9.484 -1.283 -10.633 1.00 2.21 H new ATOM 0 HG13 VAL A 71 -10.217 -2.548 -9.618 1.00 2.21 H new ATOM 0 HG21 VAL A 71 -12.685 -2.830 -11.385 1.00 43.33 H new ATOM 0 HG22 VAL A 71 -12.809 -2.721 -9.613 1.00 43.33 H new ATOM 0 HG23 VAL A 71 -13.704 -1.576 -10.640 1.00 43.33 H new ATOM 1114 N THR A 72 -12.844 -1.250 -7.470 1.00 63.50 N ATOM 1115 CA THR A 72 -13.000 -1.854 -6.185 1.00 22.23 C ATOM 1116 C THR A 72 -12.741 -3.356 -6.237 1.00 52.10 C ATOM 1117 O THR A 72 -12.770 -3.964 -7.312 1.00 32.43 O ATOM 1118 CB THR A 72 -14.402 -1.559 -5.635 1.00 5.04 C ATOM 1119 OG1 THR A 72 -15.387 -1.964 -6.601 1.00 3.23 O ATOM 1120 CG2 THR A 72 -14.560 -0.073 -5.353 1.00 10.14 C ATOM 0 H THR A 72 -13.721 -1.118 -7.974 1.00 63.50 H new ATOM 0 HA THR A 72 -12.259 -1.422 -5.513 1.00 22.23 H new ATOM 0 HB THR A 72 -14.539 -2.112 -4.706 1.00 5.04 H new ATOM 0 HG1 THR A 72 -16.284 -1.778 -6.252 1.00 3.23 H new ATOM 0 HG21 THR A 72 -15.560 0.119 -4.964 1.00 10.14 H new ATOM 0 HG22 THR A 72 -13.818 0.239 -4.618 1.00 10.14 H new ATOM 0 HG23 THR A 72 -14.416 0.490 -6.275 1.00 10.14 H new ATOM 1128 N LEU A 73 -12.504 -3.948 -5.078 1.00 3.02 N ATOM 1129 CA LEU A 73 -12.156 -5.348 -4.980 1.00 60.31 C ATOM 1130 C LEU A 73 -13.311 -6.243 -5.389 1.00 14.11 C ATOM 1131 O LEU A 73 -13.105 -7.280 -5.999 1.00 52.21 O ATOM 1132 CB LEU A 73 -11.690 -5.704 -3.574 1.00 11.12 C ATOM 1133 CG LEU A 73 -10.517 -4.902 -2.988 1.00 74.25 C ATOM 1134 CD1 LEU A 73 -9.372 -4.782 -3.957 1.00 73.01 C ATOM 1135 CD2 LEU A 73 -10.936 -3.556 -2.428 1.00 72.41 C ATOM 0 H LEU A 73 -12.549 -3.467 -4.180 1.00 3.02 H new ATOM 0 HA LEU A 73 -11.332 -5.519 -5.673 1.00 60.31 H new ATOM 0 HB2 LEU A 73 -12.540 -5.596 -2.901 1.00 11.12 H new ATOM 0 HB3 LEU A 73 -11.412 -6.758 -3.569 1.00 11.12 H new ATOM 0 HG LEU A 73 -10.156 -5.480 -2.137 1.00 74.25 H new ATOM 0 HD11 LEU A 73 -8.567 -4.208 -3.499 1.00 73.01 H new ATOM 0 HD12 LEU A 73 -9.007 -5.776 -4.214 1.00 73.01 H new ATOM 0 HD13 LEU A 73 -9.711 -4.275 -4.860 1.00 73.01 H new ATOM 0 HD21 LEU A 73 -10.063 -3.040 -2.030 1.00 72.41 H new ATOM 0 HD22 LEU A 73 -11.383 -2.955 -3.220 1.00 72.41 H new ATOM 0 HD23 LEU A 73 -11.664 -3.704 -1.631 1.00 72.41 H new ATOM 1147 N GLY A 74 -14.529 -5.831 -5.068 1.00 72.24 N ATOM 1148 CA GLY A 74 -15.696 -6.602 -5.469 1.00 51.51 C ATOM 1149 C GLY A 74 -15.809 -6.679 -6.981 1.00 73.45 C ATOM 1150 O GLY A 74 -16.220 -7.696 -7.542 1.00 71.05 O ATOM 0 H GLY A 74 -14.733 -4.982 -4.540 1.00 72.24 H new ATOM 0 HA2 GLY A 74 -15.631 -7.608 -5.055 1.00 51.51 H new ATOM 0 HA3 GLY A 74 -16.596 -6.146 -5.057 1.00 51.51 H new ATOM 1154 N ALA A 75 -15.386 -5.619 -7.636 1.00 25.13 N ATOM 1155 CA ALA A 75 -15.423 -5.517 -9.074 1.00 43.14 C ATOM 1156 C ALA A 75 -14.322 -6.367 -9.727 1.00 72.44 C ATOM 1157 O ALA A 75 -14.369 -6.642 -10.931 1.00 22.34 O ATOM 1158 CB ALA A 75 -15.306 -4.080 -9.488 1.00 65.15 C ATOM 0 H ALA A 75 -15.002 -4.794 -7.175 1.00 25.13 H new ATOM 0 HA ALA A 75 -16.380 -5.907 -9.420 1.00 43.14 H new ATOM 0 HB1 ALA A 75 -15.335 -4.011 -10.575 1.00 65.15 H new ATOM 0 HB2 ALA A 75 -16.135 -3.511 -9.066 1.00 65.15 H new ATOM 0 HB3 ALA A 75 -14.363 -3.672 -9.123 1.00 65.15 H new ATOM 1164 N LEU A 76 -13.340 -6.777 -8.935 1.00 32.01 N ATOM 1165 CA LEU A 76 -12.237 -7.617 -9.423 1.00 24.35 C ATOM 1166 C LEU A 76 -12.675 -9.087 -9.380 1.00 14.42 C ATOM 1167 O LEU A 76 -11.945 -9.983 -9.822 1.00 1.20 O ATOM 1168 CB LEU A 76 -11.040 -7.492 -8.488 1.00 74.31 C ATOM 1169 CG LEU A 76 -10.543 -6.101 -8.120 1.00 40.15 C ATOM 1170 CD1 LEU A 76 -9.461 -6.245 -7.111 1.00 40.23 C ATOM 1171 CD2 LEU A 76 -10.001 -5.379 -9.306 1.00 2.53 C ATOM 0 H LEU A 76 -13.279 -6.543 -7.944 1.00 32.01 H new ATOM 0 HA LEU A 76 -11.977 -7.301 -10.433 1.00 24.35 H new ATOM 0 HB2 LEU A 76 -11.288 -8.010 -7.562 1.00 74.31 H new ATOM 0 HB3 LEU A 76 -10.208 -8.031 -8.942 1.00 74.31 H new ATOM 0 HG LEU A 76 -11.381 -5.525 -7.727 1.00 40.15 H new ATOM 0 HD11 LEU A 76 -9.090 -5.259 -6.833 1.00 40.23 H new ATOM 0 HD12 LEU A 76 -9.853 -6.748 -6.227 1.00 40.23 H new ATOM 0 HD13 LEU A 76 -8.646 -6.834 -7.533 1.00 40.23 H new ATOM 0 HD21 LEU A 76 -9.656 -4.390 -9.004 1.00 2.53 H new ATOM 0 HD22 LEU A 76 -9.167 -5.942 -9.725 1.00 2.53 H new ATOM 0 HD23 LEU A 76 -10.783 -5.276 -10.058 1.00 2.53 H new ATOM 1183 N LYS A 77 -13.884 -9.297 -8.861 1.00 73.22 N ATOM 1184 CA LYS A 77 -14.496 -10.611 -8.616 1.00 52.11 C ATOM 1185 C LYS A 77 -13.869 -11.297 -7.405 1.00 44.01 C ATOM 1186 O LYS A 77 -12.985 -12.163 -7.534 1.00 54.14 O ATOM 1187 CB LYS A 77 -14.543 -11.588 -9.836 1.00 72.14 C ATOM 1188 CG LYS A 77 -15.334 -11.137 -11.075 1.00 32.25 C ATOM 1189 CD LYS A 77 -14.650 -10.004 -11.829 1.00 52.11 C ATOM 1190 CE LYS A 77 -15.408 -9.629 -13.093 1.00 62.33 C ATOM 1191 NZ LYS A 77 -15.526 -10.766 -14.035 1.00 54.24 N ATOM 0 H LYS A 77 -14.493 -8.526 -8.587 1.00 73.22 H new ATOM 0 HA LYS A 77 -15.541 -10.375 -8.415 1.00 52.11 H new ATOM 0 HB2 LYS A 77 -13.518 -11.789 -10.146 1.00 72.14 H new ATOM 0 HB3 LYS A 77 -14.964 -12.534 -9.494 1.00 72.14 H new ATOM 0 HG2 LYS A 77 -15.466 -11.986 -11.745 1.00 32.25 H new ATOM 0 HG3 LYS A 77 -16.329 -10.815 -10.768 1.00 32.25 H new ATOM 0 HD2 LYS A 77 -14.571 -9.132 -11.180 1.00 52.11 H new ATOM 0 HD3 LYS A 77 -13.634 -10.302 -12.089 1.00 52.11 H new ATOM 0 HE2 LYS A 77 -16.404 -9.276 -12.826 1.00 62.33 H new ATOM 0 HE3 LYS A 77 -14.899 -8.802 -13.587 1.00 62.33 H new ATOM 0 HZ1 LYS A 77 -15.798 -10.412 -14.974 1.00 54.24 H new ATOM 0 HZ2 LYS A 77 -14.612 -11.258 -14.102 1.00 54.24 H new ATOM 0 HZ3 LYS A 77 -16.251 -11.428 -13.691 1.00 54.24 H new ATOM 1205 N LEU A 78 -14.276 -10.855 -6.237 1.00 23.25 N ATOM 1206 CA LEU A 78 -13.834 -11.432 -4.979 1.00 61.25 C ATOM 1207 C LEU A 78 -15.001 -11.824 -4.128 1.00 61.42 C ATOM 1208 O LEU A 78 -15.758 -10.961 -3.661 1.00 60.04 O ATOM 1209 CB LEU A 78 -12.922 -10.509 -4.141 1.00 74.51 C ATOM 1210 CG LEU A 78 -11.441 -10.393 -4.509 1.00 52.23 C ATOM 1211 CD1 LEU A 78 -11.234 -9.828 -5.878 1.00 22.12 C ATOM 1212 CD2 LEU A 78 -10.722 -9.568 -3.469 1.00 14.45 C ATOM 0 H LEU A 78 -14.929 -10.079 -6.128 1.00 23.25 H new ATOM 0 HA LEU A 78 -13.247 -12.303 -5.271 1.00 61.25 H new ATOM 0 HB2 LEU A 78 -13.349 -9.507 -4.175 1.00 74.51 H new ATOM 0 HB3 LEU A 78 -12.978 -10.844 -3.105 1.00 74.51 H new ATOM 0 HG LEU A 78 -11.022 -11.399 -4.525 1.00 52.23 H new ATOM 0 HD11 LEU A 78 -10.166 -9.767 -6.089 1.00 22.12 H new ATOM 0 HD12 LEU A 78 -11.713 -10.473 -6.614 1.00 22.12 H new ATOM 0 HD13 LEU A 78 -11.672 -8.831 -5.930 1.00 22.12 H new ATOM 0 HD21 LEU A 78 -9.668 -9.487 -3.734 1.00 14.45 H new ATOM 0 HD22 LEU A 78 -11.163 -8.572 -3.426 1.00 14.45 H new ATOM 0 HD23 LEU A 78 -10.816 -10.048 -2.495 1.00 14.45 H new ATOM 1224 N PRO A 79 -15.201 -13.115 -3.947 1.00 2.24 N ATOM 1225 CA PRO A 79 -16.190 -13.613 -3.014 1.00 25.45 C ATOM 1226 C PRO A 79 -15.748 -13.252 -1.594 1.00 64.24 C ATOM 1227 O PRO A 79 -14.539 -13.290 -1.283 1.00 34.31 O ATOM 1228 CB PRO A 79 -16.165 -15.135 -3.211 1.00 21.33 C ATOM 1229 CG PRO A 79 -15.403 -15.363 -4.476 1.00 32.04 C ATOM 1230 CD PRO A 79 -14.494 -14.185 -4.645 1.00 70.31 C ATOM 0 HA PRO A 79 -17.186 -13.198 -3.170 1.00 25.45 H new ATOM 0 HB2 PRO A 79 -15.684 -15.632 -2.368 1.00 21.33 H new ATOM 0 HB3 PRO A 79 -17.175 -15.538 -3.284 1.00 21.33 H new ATOM 0 HG2 PRO A 79 -14.831 -16.289 -4.422 1.00 32.04 H new ATOM 0 HG3 PRO A 79 -16.080 -15.455 -5.325 1.00 32.04 H new ATOM 0 HD2 PRO A 79 -13.512 -14.369 -4.210 1.00 70.31 H new ATOM 0 HD3 PRO A 79 -14.337 -13.945 -5.697 1.00 70.31 H new ATOM 1238 N PHE A 80 -16.687 -12.904 -0.749 1.00 35.50 N ATOM 1239 CA PHE A 80 -16.356 -12.436 0.586 1.00 40.31 C ATOM 1240 C PHE A 80 -15.715 -13.549 1.400 1.00 34.34 C ATOM 1241 O PHE A 80 -16.049 -14.738 1.232 1.00 55.35 O ATOM 1242 CB PHE A 80 -17.592 -11.956 1.332 1.00 33.55 C ATOM 1243 CG PHE A 80 -18.495 -11.034 0.574 1.00 11.40 C ATOM 1244 CD1 PHE A 80 -17.995 -10.001 -0.199 1.00 14.41 C ATOM 1245 CD2 PHE A 80 -19.859 -11.211 0.654 1.00 64.14 C ATOM 1246 CE1 PHE A 80 -18.852 -9.165 -0.889 1.00 34.02 C ATOM 1247 CE2 PHE A 80 -20.719 -10.381 -0.030 1.00 64.24 C ATOM 1248 CZ PHE A 80 -20.214 -9.356 -0.805 1.00 73.25 C ATOM 0 H PHE A 80 -17.685 -12.934 -0.955 1.00 35.50 H new ATOM 0 HA PHE A 80 -15.660 -11.606 0.466 1.00 40.31 H new ATOM 0 HB2 PHE A 80 -18.169 -12.828 1.639 1.00 33.55 H new ATOM 0 HB3 PHE A 80 -17.270 -11.451 2.243 1.00 33.55 H new ATOM 0 HD1 PHE A 80 -16.928 -9.847 -0.263 1.00 14.41 H new ATOM 0 HD2 PHE A 80 -20.259 -12.010 1.260 1.00 64.14 H new ATOM 0 HE1 PHE A 80 -18.455 -8.363 -1.493 1.00 34.02 H new ATOM 0 HE2 PHE A 80 -21.786 -10.532 0.040 1.00 64.24 H new ATOM 0 HZ PHE A 80 -20.886 -8.705 -1.345 1.00 73.25 H new ATOM 1258 N GLY A 81 -14.803 -13.174 2.262 1.00 73.43 N ATOM 1259 CA GLY A 81 -14.155 -14.127 3.125 1.00 50.05 C ATOM 1260 C GLY A 81 -13.004 -14.856 2.472 1.00 44.41 C ATOM 1261 O GLY A 81 -12.417 -15.751 3.077 1.00 63.23 O ATOM 0 H GLY A 81 -14.492 -12.210 2.384 1.00 73.43 H new ATOM 0 HA2 GLY A 81 -13.789 -13.610 4.012 1.00 50.05 H new ATOM 0 HA3 GLY A 81 -14.891 -14.857 3.462 1.00 50.05 H new ATOM 1265 N LYS A 82 -12.669 -14.494 1.253 1.00 23.03 N ATOM 1266 CA LYS A 82 -11.602 -15.171 0.562 1.00 54.44 C ATOM 1267 C LYS A 82 -10.355 -14.338 0.478 1.00 52.44 C ATOM 1268 O LYS A 82 -10.415 -13.102 0.526 1.00 52.55 O ATOM 1269 CB LYS A 82 -12.042 -15.665 -0.795 1.00 42.11 C ATOM 1270 CG LYS A 82 -13.188 -16.627 -0.676 1.00 50.20 C ATOM 1271 CD LYS A 82 -13.493 -17.308 -1.960 1.00 42.20 C ATOM 1272 CE LYS A 82 -14.702 -18.229 -1.809 1.00 51.22 C ATOM 1273 NZ LYS A 82 -14.498 -19.245 -0.746 1.00 42.04 N ATOM 0 H LYS A 82 -13.116 -13.743 0.727 1.00 23.03 H new ATOM 0 HA LYS A 82 -11.348 -16.047 1.159 1.00 54.44 H new ATOM 0 HB2 LYS A 82 -12.337 -14.819 -1.415 1.00 42.11 H new ATOM 0 HB3 LYS A 82 -11.206 -16.152 -1.297 1.00 42.11 H new ATOM 0 HG2 LYS A 82 -12.954 -17.375 0.082 1.00 50.20 H new ATOM 0 HG3 LYS A 82 -14.073 -16.092 -0.333 1.00 50.20 H new ATOM 0 HD2 LYS A 82 -13.690 -16.565 -2.733 1.00 42.20 H new ATOM 0 HD3 LYS A 82 -12.628 -17.886 -2.285 1.00 42.20 H new ATOM 0 HE2 LYS A 82 -15.585 -17.633 -1.576 1.00 51.22 H new ATOM 0 HE3 LYS A 82 -14.896 -18.730 -2.757 1.00 51.22 H new ATOM 0 HZ1 LYS A 82 -15.212 -19.995 -0.841 1.00 42.04 H new ATOM 0 HZ2 LYS A 82 -13.548 -19.657 -0.838 1.00 42.04 H new ATOM 0 HZ3 LYS A 82 -14.592 -18.795 0.187 1.00 42.04 H new ATOM 1287 N THR A 83 -9.235 -15.008 0.362 1.00 34.13 N ATOM 1288 CA THR A 83 -7.951 -14.370 0.316 1.00 2.42 C ATOM 1289 C THR A 83 -7.556 -14.084 -1.121 1.00 11.32 C ATOM 1290 O THR A 83 -7.498 -14.988 -1.959 1.00 40.41 O ATOM 1291 CB THR A 83 -6.878 -15.257 0.991 1.00 14.40 C ATOM 1292 OG1 THR A 83 -7.298 -15.574 2.340 1.00 72.43 O ATOM 1293 CG2 THR A 83 -5.536 -14.538 1.046 1.00 75.12 C ATOM 0 H THR A 83 -9.194 -16.025 0.296 1.00 34.13 H new ATOM 0 HA THR A 83 -8.018 -13.428 0.860 1.00 2.42 H new ATOM 0 HB THR A 83 -6.765 -16.169 0.405 1.00 14.40 H new ATOM 0 HG1 THR A 83 -6.621 -16.137 2.770 1.00 72.43 H new ATOM 0 HG21 THR A 83 -4.798 -15.181 1.525 1.00 75.12 H new ATOM 0 HG22 THR A 83 -5.209 -14.301 0.034 1.00 75.12 H new ATOM 0 HG23 THR A 83 -5.640 -13.617 1.619 1.00 75.12 H new ATOM 1301 N THR A 84 -7.334 -12.839 -1.409 1.00 1.44 N ATOM 1302 CA THR A 84 -6.911 -12.436 -2.714 1.00 50.14 C ATOM 1303 C THR A 84 -5.695 -11.504 -2.621 1.00 61.34 C ATOM 1304 O THR A 84 -5.641 -10.612 -1.771 1.00 2.03 O ATOM 1305 CB THR A 84 -8.063 -11.753 -3.475 1.00 74.34 C ATOM 1306 OG1 THR A 84 -9.190 -12.650 -3.513 1.00 53.11 O ATOM 1307 CG2 THR A 84 -7.656 -11.411 -4.905 1.00 74.22 C ATOM 0 H THR A 84 -7.441 -12.072 -0.745 1.00 1.44 H new ATOM 0 HA THR A 84 -6.619 -13.327 -3.270 1.00 50.14 H new ATOM 0 HB THR A 84 -8.319 -10.828 -2.959 1.00 74.34 H new ATOM 0 HG1 THR A 84 -9.419 -12.848 -4.445 1.00 53.11 H new ATOM 0 HG21 THR A 84 -8.490 -10.930 -5.416 1.00 74.22 H new ATOM 0 HG22 THR A 84 -6.802 -10.734 -4.888 1.00 74.22 H new ATOM 0 HG23 THR A 84 -7.384 -12.324 -5.434 1.00 74.22 H new ATOM 1315 N VAL A 85 -4.725 -11.744 -3.461 1.00 73.14 N ATOM 1316 CA VAL A 85 -3.527 -10.943 -3.505 1.00 52.44 C ATOM 1317 C VAL A 85 -3.501 -10.066 -4.768 1.00 41.30 C ATOM 1318 O VAL A 85 -3.961 -10.487 -5.851 1.00 23.00 O ATOM 1319 CB VAL A 85 -2.253 -11.830 -3.417 1.00 10.24 C ATOM 1320 CG1 VAL A 85 -2.244 -12.879 -4.504 1.00 11.52 C ATOM 1321 CG2 VAL A 85 -0.990 -10.990 -3.490 1.00 44.54 C ATOM 0 H VAL A 85 -4.742 -12.505 -4.140 1.00 73.14 H new ATOM 0 HA VAL A 85 -3.533 -10.285 -2.636 1.00 52.44 H new ATOM 0 HB VAL A 85 -2.274 -12.333 -2.450 1.00 10.24 H new ATOM 0 HG11 VAL A 85 -1.342 -13.484 -4.418 1.00 11.52 H new ATOM 0 HG12 VAL A 85 -3.121 -13.518 -4.400 1.00 11.52 H new ATOM 0 HG13 VAL A 85 -2.263 -12.393 -5.479 1.00 11.52 H new ATOM 0 HG21 VAL A 85 -0.117 -11.639 -3.426 1.00 44.54 H new ATOM 0 HG22 VAL A 85 -0.969 -10.446 -4.434 1.00 44.54 H new ATOM 0 HG23 VAL A 85 -0.976 -10.281 -2.662 1.00 44.54 H new ATOM 1331 N MET A 86 -3.005 -8.850 -4.621 1.00 72.43 N ATOM 1332 CA MET A 86 -2.897 -7.905 -5.712 1.00 2.12 C ATOM 1333 C MET A 86 -1.560 -7.239 -5.679 1.00 22.44 C ATOM 1334 O MET A 86 -0.942 -7.117 -4.628 1.00 61.33 O ATOM 1335 CB MET A 86 -3.963 -6.825 -5.631 1.00 34.24 C ATOM 1336 CG MET A 86 -5.371 -7.310 -5.775 1.00 73.25 C ATOM 1337 SD MET A 86 -6.555 -5.970 -5.652 1.00 23.22 S ATOM 1338 CE MET A 86 -6.118 -4.971 -7.076 1.00 4.24 C ATOM 0 H MET A 86 -2.663 -8.490 -3.730 1.00 72.43 H new ATOM 0 HA MET A 86 -3.029 -8.467 -6.637 1.00 2.12 H new ATOM 0 HB2 MET A 86 -3.868 -6.313 -4.673 1.00 34.24 H new ATOM 0 HB3 MET A 86 -3.769 -6.086 -6.408 1.00 34.24 H new ATOM 0 HG2 MET A 86 -5.486 -7.809 -6.737 1.00 73.25 H new ATOM 0 HG3 MET A 86 -5.580 -8.051 -5.004 1.00 73.25 H new ATOM 0 HE1 MET A 86 -6.949 -4.311 -7.326 1.00 4.24 H new ATOM 0 HE2 MET A 86 -5.237 -4.373 -6.844 1.00 4.24 H new ATOM 0 HE3 MET A 86 -5.902 -5.621 -7.924 1.00 4.24 H new ATOM 1348 N HIS A 87 -1.112 -6.808 -6.816 1.00 73.21 N ATOM 1349 CA HIS A 87 0.139 -6.097 -6.901 1.00 55.34 C ATOM 1350 C HIS A 87 -0.193 -4.640 -7.109 1.00 24.33 C ATOM 1351 O HIS A 87 -0.944 -4.304 -8.010 1.00 13.52 O ATOM 1352 CB HIS A 87 1.016 -6.590 -8.057 1.00 2.33 C ATOM 1353 CG HIS A 87 1.405 -8.049 -8.025 1.00 31.14 C ATOM 1354 ND1 HIS A 87 2.627 -8.487 -7.592 1.00 2.32 N ATOM 1355 CD2 HIS A 87 0.740 -9.166 -8.421 1.00 11.34 C ATOM 1356 CE1 HIS A 87 2.698 -9.789 -7.724 1.00 25.11 C ATOM 1357 NE2 HIS A 87 1.573 -10.219 -8.221 1.00 30.24 N ATOM 0 H HIS A 87 -1.592 -6.934 -7.707 1.00 73.21 H new ATOM 0 HA HIS A 87 0.706 -6.263 -5.985 1.00 55.34 H new ATOM 0 HB2 HIS A 87 0.491 -6.396 -8.992 1.00 2.33 H new ATOM 0 HB3 HIS A 87 1.928 -5.993 -8.074 1.00 2.33 H new ATOM 0 HD2 HIS A 87 -0.263 -9.208 -8.820 1.00 11.34 H new ATOM 0 HE1 HIS A 87 3.548 -10.403 -7.464 1.00 25.11 H new ATOM 0 HE2 HIS A 87 1.353 -11.193 -8.427 1.00 30.24 H new ATOM 1366 N LEU A 88 0.312 -3.785 -6.282 1.00 73.52 N ATOM 1367 CA LEU A 88 -0.034 -2.389 -6.386 1.00 35.42 C ATOM 1368 C LEU A 88 1.165 -1.566 -6.705 1.00 21.24 C ATOM 1369 O LEU A 88 2.279 -1.849 -6.238 1.00 21.30 O ATOM 1370 CB LEU A 88 -0.702 -1.859 -5.095 1.00 64.53 C ATOM 1371 CG LEU A 88 -2.096 -2.414 -4.720 1.00 21.33 C ATOM 1372 CD1 LEU A 88 -3.113 -2.148 -5.814 1.00 50.22 C ATOM 1373 CD2 LEU A 88 -2.046 -3.890 -4.381 1.00 70.45 C ATOM 0 H LEU A 88 0.961 -4.016 -5.530 1.00 73.52 H new ATOM 0 HA LEU A 88 -0.755 -2.304 -7.199 1.00 35.42 H new ATOM 0 HB2 LEU A 88 -0.027 -2.060 -4.263 1.00 64.53 H new ATOM 0 HB3 LEU A 88 -0.786 -0.776 -5.183 1.00 64.53 H new ATOM 0 HG LEU A 88 -2.416 -1.881 -3.824 1.00 21.33 H new ATOM 0 HD11 LEU A 88 -4.081 -2.551 -5.517 1.00 50.22 H new ATOM 0 HD12 LEU A 88 -3.202 -1.074 -5.975 1.00 50.22 H new ATOM 0 HD13 LEU A 88 -2.788 -2.628 -6.737 1.00 50.22 H new ATOM 0 HD21 LEU A 88 -3.046 -4.238 -4.124 1.00 70.45 H new ATOM 0 HD22 LEU A 88 -1.677 -4.449 -5.241 1.00 70.45 H new ATOM 0 HD23 LEU A 88 -1.378 -4.046 -3.534 1.00 70.45 H new ATOM 1385 N VAL A 89 0.965 -0.572 -7.511 1.00 54.44 N ATOM 1386 CA VAL A 89 2.004 0.338 -7.831 1.00 21.51 C ATOM 1387 C VAL A 89 1.589 1.717 -7.341 1.00 33.10 C ATOM 1388 O VAL A 89 0.453 2.141 -7.547 1.00 74.10 O ATOM 1389 CB VAL A 89 2.328 0.356 -9.374 1.00 50.44 C ATOM 1390 CG1 VAL A 89 2.803 -1.009 -9.845 1.00 22.34 C ATOM 1391 CG2 VAL A 89 1.122 0.756 -10.193 1.00 55.01 C ATOM 0 H VAL A 89 0.073 -0.373 -7.964 1.00 54.44 H new ATOM 0 HA VAL A 89 2.922 0.021 -7.337 1.00 21.51 H new ATOM 0 HB VAL A 89 3.118 1.093 -9.519 1.00 50.44 H new ATOM 0 HG11 VAL A 89 3.020 -0.970 -10.912 1.00 22.34 H new ATOM 0 HG12 VAL A 89 3.706 -1.288 -9.301 1.00 22.34 H new ATOM 0 HG13 VAL A 89 2.025 -1.749 -9.660 1.00 22.34 H new ATOM 0 HG21 VAL A 89 1.385 0.757 -11.251 1.00 55.01 H new ATOM 0 HG22 VAL A 89 0.313 0.046 -10.020 1.00 55.01 H new ATOM 0 HG23 VAL A 89 0.797 1.754 -9.899 1.00 55.01 H new ATOM 1401 N ALA A 90 2.477 2.386 -6.667 1.00 42.13 N ATOM 1402 CA ALA A 90 2.194 3.700 -6.163 1.00 3.11 C ATOM 1403 C ALA A 90 3.346 4.607 -6.455 1.00 3.12 C ATOM 1404 O ALA A 90 4.512 4.195 -6.354 1.00 31.23 O ATOM 1405 CB ALA A 90 1.868 3.673 -4.681 1.00 75.12 C ATOM 0 H ALA A 90 3.412 2.041 -6.451 1.00 42.13 H new ATOM 0 HA ALA A 90 1.308 4.084 -6.669 1.00 3.11 H new ATOM 0 HB1 ALA A 90 1.660 4.686 -4.336 1.00 75.12 H new ATOM 0 HB2 ALA A 90 0.993 3.045 -4.512 1.00 75.12 H new ATOM 0 HB3 ALA A 90 2.717 3.269 -4.129 1.00 75.12 H new