USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 688 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 49 GLN : amide:sc= -0.345 K(o=-1.3,f=-4.8!) USER MOD Set 1.2: A 80 HIS : no HE2:sc= -0.969 K(o=-1.3,f=-0.11) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 169:sc= 2.36 (180deg=0.541) USER MOD Set 2.2: A 62 THR OG1 : rot -43:sc= 0.991 USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 22 TYR OH : rot 0:sc= -1.48! USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= -0.0541 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= -0.968 USER MOD Set 6.1: A 12 ASN : amide:sc= -5.23! C(o=-4.7!,f=-7.1!) USER MOD Set 6.2: A 88 ASN : amide:sc= 0.488 K(o=-4.7,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.35 (180deg=0.456) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= -0.413 USER MOD Single : A 10 THR OG1 : rot -18:sc= 0.339 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 168:sc= -1.72 (180deg=-2.21) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 29 ASN : amide:sc= -2.76! C(o=-2.8!,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.07) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 46 MET CE :methyl -156:sc= -0.766 (180deg=-2.14!) USER MOD Single : A 56 GLN : amide:sc= -1.99 K(o=-2,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.976) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.27) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.167 5.718 -0.770 1.00 0.00 N ATOM 2 CA MET A 1 -18.621 4.788 -1.815 1.00 0.00 C ATOM 3 C MET A 1 -18.050 3.423 -1.535 1.00 0.00 C ATOM 4 O MET A 1 -16.903 3.313 -1.106 1.00 0.00 O ATOM 5 CB MET A 1 -18.171 5.244 -3.222 1.00 0.00 C ATOM 6 CG MET A 1 -18.732 6.586 -3.706 1.00 0.00 C ATOM 7 SD MET A 1 -18.199 8.002 -2.717 1.00 0.00 S ATOM 8 CE MET A 1 -19.002 9.344 -3.599 1.00 0.00 C ATOM 0 H1 MET A 1 -18.225 6.694 -1.125 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.772 5.619 0.070 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.183 5.500 -0.515 1.00 0.00 H new ATOM 0 HA MET A 1 -19.711 4.765 -1.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.083 5.303 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.455 4.474 -3.940 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.429 6.743 -4.741 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.821 6.538 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.770 10.291 -3.111 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.643 9.369 -4.628 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.081 9.188 -3.594 1.00 0.00 H new ATOM 18 N THR A 2 -18.828 2.393 -1.771 1.00 0.00 N ATOM 19 CA THR A 2 -18.382 1.046 -1.538 1.00 0.00 C ATOM 20 C THR A 2 -17.659 0.515 -2.780 1.00 0.00 C ATOM 21 O THR A 2 -18.269 0.335 -3.838 1.00 0.00 O ATOM 22 CB THR A 2 -19.580 0.126 -1.229 1.00 0.00 C ATOM 23 OG1 THR A 2 -20.369 0.700 -0.167 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.096 -1.250 -0.793 1.00 0.00 C ATOM 0 H THR A 2 -19.781 2.467 -2.127 1.00 0.00 H new ATOM 0 HA THR A 2 -17.703 1.053 -0.686 1.00 0.00 H new ATOM 0 HB THR A 2 -20.182 0.026 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 2 -21.131 0.115 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.954 -1.887 -0.579 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.503 -1.697 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.484 -1.153 0.103 1.00 0.00 H new ATOM 32 N GLU A 3 -16.374 0.289 -2.645 1.00 0.00 N ATOM 33 CA GLU A 3 -15.559 -0.250 -3.699 1.00 0.00 C ATOM 34 C GLU A 3 -14.317 -0.820 -3.063 1.00 0.00 C ATOM 35 O GLU A 3 -13.790 -0.238 -2.124 1.00 0.00 O ATOM 36 CB GLU A 3 -15.252 0.839 -4.726 1.00 0.00 C ATOM 37 CG GLU A 3 -14.433 0.396 -5.908 1.00 0.00 C ATOM 38 CD GLU A 3 -14.318 1.481 -6.935 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.655 2.492 -6.673 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.929 1.349 -8.023 1.00 0.00 O ATOM 0 H GLU A 3 -15.860 0.479 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.072 -1.045 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.194 1.248 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.726 1.651 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.438 0.104 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.889 -0.486 -6.358 1.00 0.00 H new ATOM 47 N VAL A 4 -13.869 -1.963 -3.533 1.00 0.00 N ATOM 48 CA VAL A 4 -12.785 -2.686 -2.884 1.00 0.00 C ATOM 49 C VAL A 4 -11.809 -3.306 -3.883 1.00 0.00 C ATOM 50 O VAL A 4 -12.144 -3.530 -5.045 1.00 0.00 O ATOM 51 CB VAL A 4 -13.345 -3.819 -1.953 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.080 -3.250 -0.742 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.284 -4.724 -2.735 1.00 0.00 C ATOM 0 H VAL A 4 -14.238 -2.419 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.244 -1.948 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.492 -4.393 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.451 -4.068 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.396 -2.635 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.918 -2.640 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.666 -5.506 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.116 -4.137 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.743 -5.179 -3.565 1.00 0.00 H new ATOM 63 N TYR A 5 -10.606 -3.529 -3.409 1.00 0.00 N ATOM 64 CA TYR A 5 -9.540 -4.225 -4.138 1.00 0.00 C ATOM 65 C TYR A 5 -9.039 -5.380 -3.309 1.00 0.00 C ATOM 66 O TYR A 5 -8.923 -5.265 -2.074 1.00 0.00 O ATOM 67 CB TYR A 5 -8.361 -3.286 -4.440 1.00 0.00 C ATOM 68 CG TYR A 5 -8.674 -2.129 -5.366 1.00 0.00 C ATOM 69 CD1 TYR A 5 -9.077 -2.353 -6.672 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.544 -0.822 -4.942 1.00 0.00 C ATOM 71 CE1 TYR A 5 -9.345 -1.305 -7.527 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.807 0.234 -5.798 1.00 0.00 C ATOM 73 CZ TYR A 5 -9.207 -0.017 -7.087 1.00 0.00 C ATOM 74 OH TYR A 5 -9.469 1.031 -7.943 1.00 0.00 O ATOM 0 H TYR A 5 -10.320 -3.227 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.954 -4.579 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.987 -2.885 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.554 -3.873 -4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.183 -3.367 -7.027 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.233 -0.620 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.663 -1.500 -8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.698 1.252 -5.453 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.152 0.761 -8.592 1.00 0.00 H new ATOM 84 N ASP A 6 -8.778 -6.495 -3.951 1.00 0.00 N ATOM 85 CA ASP A 6 -8.185 -7.627 -3.258 1.00 0.00 C ATOM 86 C ASP A 6 -6.707 -7.449 -3.282 1.00 0.00 C ATOM 87 O ASP A 6 -6.097 -7.390 -4.344 1.00 0.00 O ATOM 88 CB ASP A 6 -8.540 -8.970 -3.887 1.00 0.00 C ATOM 89 CG ASP A 6 -10.020 -9.262 -3.898 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.565 -9.685 -2.861 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.666 -9.070 -4.953 1.00 0.00 O ATOM 0 H ASP A 6 -8.963 -6.647 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.580 -7.647 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.167 -8.992 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.026 -9.763 -3.344 1.00 0.00 H new ATOM 96 N LEU A 7 -6.143 -7.349 -2.147 1.00 0.00 N ATOM 97 CA LEU A 7 -4.757 -7.061 -1.997 1.00 0.00 C ATOM 98 C LEU A 7 -4.068 -8.199 -1.296 1.00 0.00 C ATOM 99 O LEU A 7 -4.700 -8.952 -0.578 1.00 0.00 O ATOM 100 CB LEU A 7 -4.623 -5.801 -1.150 1.00 0.00 C ATOM 101 CG LEU A 7 -5.301 -4.535 -1.687 1.00 0.00 C ATOM 102 CD1 LEU A 7 -5.080 -3.364 -0.745 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.800 -4.198 -3.077 1.00 0.00 C ATOM 0 H LEU A 7 -6.638 -7.467 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.300 -6.920 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.030 -6.011 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.562 -5.590 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.372 -4.730 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.570 -2.477 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.500 -3.599 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.011 -3.174 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.297 -3.296 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.723 -4.031 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.019 -5.025 -3.753 1.00 0.00 H new ATOM 115 N GLU A 8 -2.793 -8.334 -1.498 1.00 0.00 N ATOM 116 CA GLU A 8 -2.038 -9.324 -0.777 1.00 0.00 C ATOM 117 C GLU A 8 -1.149 -8.622 0.200 1.00 0.00 C ATOM 118 O GLU A 8 -0.371 -7.756 -0.171 1.00 0.00 O ATOM 119 CB GLU A 8 -1.212 -10.219 -1.699 1.00 0.00 C ATOM 120 CG GLU A 8 -0.376 -11.235 -0.928 1.00 0.00 C ATOM 121 CD GLU A 8 0.442 -12.121 -1.803 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.451 -11.665 -2.352 1.00 0.00 O ATOM 123 OE2 GLU A 8 0.106 -13.309 -1.932 1.00 0.00 O ATOM 0 H GLU A 8 -2.250 -7.774 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.738 -9.980 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.878 -10.745 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.554 -9.599 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.285 -10.704 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.038 -11.851 -0.319 1.00 0.00 H new ATOM 130 N ILE A 9 -1.285 -8.970 1.439 1.00 0.00 N ATOM 131 CA ILE A 9 -0.535 -8.350 2.476 1.00 0.00 C ATOM 132 C ILE A 9 0.689 -9.171 2.797 1.00 0.00 C ATOM 133 O ILE A 9 0.617 -10.398 2.974 1.00 0.00 O ATOM 134 CB ILE A 9 -1.380 -8.151 3.763 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.641 -7.314 3.471 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.552 -7.517 4.887 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.361 -5.931 2.897 1.00 0.00 C ATOM 0 H ILE A 9 -1.924 -9.697 1.759 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.235 -7.366 2.115 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.697 -9.137 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.272 -7.863 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.210 -7.202 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.175 -7.392 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.292 -8.163 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.184 -6.544 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.303 -5.412 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.758 -5.360 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.821 -6.030 1.955 1.00 0.00 H new ATOM 149 N THR A 10 1.783 -8.496 2.843 1.00 0.00 N ATOM 150 CA THR A 10 3.051 -9.044 3.187 1.00 0.00 C ATOM 151 C THR A 10 3.707 -8.120 4.187 1.00 0.00 C ATOM 152 O THR A 10 3.485 -6.907 4.155 1.00 0.00 O ATOM 153 CB THR A 10 3.960 -9.218 1.951 1.00 0.00 C ATOM 154 OG1 THR A 10 3.981 -8.027 1.157 1.00 0.00 O ATOM 155 CG2 THR A 10 3.546 -10.399 1.117 1.00 0.00 C ATOM 0 H THR A 10 1.822 -7.499 2.632 1.00 0.00 H new ATOM 0 HA THR A 10 2.903 -10.036 3.614 1.00 0.00 H new ATOM 0 HB THR A 10 4.969 -9.407 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.217 -7.461 1.396 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.210 -10.488 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.606 -11.307 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.522 -10.259 0.772 1.00 0.00 H new ATOM 163 N THR A 11 4.500 -8.651 5.051 1.00 0.00 N ATOM 164 CA THR A 11 5.095 -7.870 6.067 1.00 0.00 C ATOM 165 C THR A 11 6.399 -8.516 6.399 1.00 0.00 C ATOM 166 O THR A 11 6.583 -9.704 6.212 1.00 0.00 O ATOM 167 CB THR A 11 4.251 -7.873 7.359 1.00 0.00 C ATOM 168 OG1 THR A 11 2.864 -7.806 7.063 1.00 0.00 O ATOM 169 CG2 THR A 11 4.593 -6.696 8.260 1.00 0.00 C ATOM 0 H THR A 11 4.752 -9.639 5.070 1.00 0.00 H new ATOM 0 HA THR A 11 5.193 -6.844 5.713 1.00 0.00 H new ATOM 0 HB THR A 11 4.484 -8.806 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.351 -7.811 7.898 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.977 -6.735 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.646 -6.745 8.539 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.402 -5.764 7.729 1.00 0.00 H new ATOM 177 N ASN A 12 7.253 -7.749 6.904 1.00 0.00 N ATOM 178 CA ASN A 12 8.572 -8.179 7.300 1.00 0.00 C ATOM 179 C ASN A 12 8.517 -9.044 8.566 1.00 0.00 C ATOM 180 O ASN A 12 9.477 -9.740 8.904 1.00 0.00 O ATOM 181 CB ASN A 12 9.484 -6.965 7.516 1.00 0.00 C ATOM 182 CG ASN A 12 9.153 -6.066 8.730 1.00 0.00 C ATOM 183 OD1 ASN A 12 10.032 -5.479 9.307 1.00 0.00 O ATOM 184 ND2 ASN A 12 7.903 -5.921 9.087 1.00 0.00 N ATOM 0 H ASN A 12 7.079 -6.758 7.074 1.00 0.00 H new ATOM 0 HA ASN A 12 8.985 -8.790 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.508 -7.322 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.454 -6.350 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.663 -5.304 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.169 -6.424 8.589 1.00 0.00 H new ATOM 191 N ALA A 13 7.387 -8.994 9.249 1.00 0.00 N ATOM 192 CA ALA A 13 7.189 -9.725 10.465 1.00 0.00 C ATOM 193 C ALA A 13 6.239 -10.901 10.256 1.00 0.00 C ATOM 194 O ALA A 13 5.973 -11.656 11.181 1.00 0.00 O ATOM 195 CB ALA A 13 6.666 -8.801 11.553 1.00 0.00 C ATOM 0 H ALA A 13 6.581 -8.437 8.964 1.00 0.00 H new ATOM 0 HA ALA A 13 8.152 -10.129 10.779 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.519 -9.368 12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.387 -8.003 11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.716 -8.369 11.238 1.00 0.00 H new ATOM 201 N THR A 14 5.718 -11.046 9.053 1.00 0.00 N ATOM 202 CA THR A 14 4.818 -12.134 8.757 1.00 0.00 C ATOM 203 C THR A 14 5.426 -13.024 7.696 1.00 0.00 C ATOM 204 O THR A 14 6.091 -12.539 6.769 1.00 0.00 O ATOM 205 CB THR A 14 3.421 -11.628 8.301 1.00 0.00 C ATOM 206 OG1 THR A 14 3.556 -10.740 7.178 1.00 0.00 O ATOM 207 CG2 THR A 14 2.704 -10.904 9.432 1.00 0.00 C ATOM 0 H THR A 14 5.905 -10.422 8.268 1.00 0.00 H new ATOM 0 HA THR A 14 4.671 -12.704 9.674 1.00 0.00 H new ATOM 0 HB THR A 14 2.830 -12.497 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.670 -10.429 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.730 -10.561 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.570 -11.585 10.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.298 -10.047 9.750 1.00 0.00 H new ATOM 215 N ASP A 15 5.229 -14.297 7.818 1.00 0.00 N ATOM 216 CA ASP A 15 5.770 -15.222 6.844 1.00 0.00 C ATOM 217 C ASP A 15 4.770 -15.492 5.749 1.00 0.00 C ATOM 218 O ASP A 15 5.105 -15.469 4.567 1.00 0.00 O ATOM 219 CB ASP A 15 6.202 -16.536 7.497 1.00 0.00 C ATOM 220 CG ASP A 15 6.702 -17.539 6.479 1.00 0.00 C ATOM 221 OD1 ASP A 15 7.863 -17.436 6.051 1.00 0.00 O ATOM 222 OD2 ASP A 15 5.936 -18.433 6.083 1.00 0.00 O ATOM 0 H ASP A 15 4.701 -14.730 8.576 1.00 0.00 H new ATOM 0 HA ASP A 15 6.653 -14.755 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.988 -16.337 8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.361 -16.963 8.043 1.00 0.00 H new ATOM 227 N PHE A 16 3.548 -15.703 6.148 1.00 0.00 N ATOM 228 CA PHE A 16 2.489 -16.054 5.235 1.00 0.00 C ATOM 229 C PHE A 16 1.855 -14.811 4.597 1.00 0.00 C ATOM 230 O PHE A 16 1.321 -13.946 5.303 1.00 0.00 O ATOM 231 CB PHE A 16 1.424 -16.882 5.972 1.00 0.00 C ATOM 232 CG PHE A 16 0.246 -17.296 5.131 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.360 -18.322 4.208 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.982 -16.665 5.276 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.723 -18.708 3.446 1.00 0.00 C ATOM 236 CE2 PHE A 16 -2.066 -17.045 4.516 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.937 -18.067 3.600 1.00 0.00 C ATOM 0 H PHE A 16 3.253 -15.637 7.122 1.00 0.00 H new ATOM 0 HA PHE A 16 2.918 -16.649 4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.896 -17.778 6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.060 -16.304 6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.307 -18.825 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.089 -15.866 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.622 -19.510 2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.015 -16.543 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.785 -18.367 3.003 1.00 0.00 H new ATOM 247 N PRO A 17 1.926 -14.702 3.258 1.00 0.00 N ATOM 248 CA PRO A 17 1.265 -13.644 2.512 1.00 0.00 C ATOM 249 C PRO A 17 -0.210 -13.975 2.367 1.00 0.00 C ATOM 250 O PRO A 17 -0.568 -15.078 1.930 1.00 0.00 O ATOM 251 CB PRO A 17 1.937 -13.680 1.128 1.00 0.00 C ATOM 252 CG PRO A 17 3.011 -14.716 1.220 1.00 0.00 C ATOM 253 CD PRO A 17 2.657 -15.601 2.370 1.00 0.00 C ATOM 0 HA PRO A 17 1.345 -12.670 2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.216 -13.933 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.355 -12.706 0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.075 -15.290 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.985 -14.251 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.044 -16.446 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.544 -16.012 2.852 1.00 0.00 H new ATOM 261 N MET A 18 -1.053 -13.054 2.697 1.00 0.00 N ATOM 262 CA MET A 18 -2.468 -13.328 2.686 1.00 0.00 C ATOM 263 C MET A 18 -3.199 -12.307 1.865 1.00 0.00 C ATOM 264 O MET A 18 -2.905 -11.111 1.944 1.00 0.00 O ATOM 265 CB MET A 18 -3.016 -13.366 4.123 1.00 0.00 C ATOM 266 CG MET A 18 -4.505 -13.672 4.228 1.00 0.00 C ATOM 267 SD MET A 18 -5.072 -13.748 5.941 1.00 0.00 S ATOM 268 CE MET A 18 -6.812 -14.092 5.705 1.00 0.00 C ATOM 0 H MET A 18 -0.798 -12.107 2.978 1.00 0.00 H new ATOM 0 HA MET A 18 -2.628 -14.305 2.230 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.464 -14.117 4.688 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.822 -12.404 4.597 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.069 -12.907 3.695 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.714 -14.622 3.736 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.303 -14.168 6.675 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.268 -13.286 5.130 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.927 -15.032 5.166 1.00 0.00 H new ATOM 278 N GLU A 19 -4.128 -12.766 1.069 1.00 0.00 N ATOM 279 CA GLU A 19 -4.925 -11.898 0.270 1.00 0.00 C ATOM 280 C GLU A 19 -6.142 -11.470 1.056 1.00 0.00 C ATOM 281 O GLU A 19 -6.904 -12.302 1.571 1.00 0.00 O ATOM 282 CB GLU A 19 -5.307 -12.503 -1.110 1.00 0.00 C ATOM 283 CG GLU A 19 -6.072 -13.829 -1.085 1.00 0.00 C ATOM 284 CD GLU A 19 -5.243 -15.003 -0.614 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.125 -15.213 0.605 1.00 0.00 O ATOM 286 OE2 GLU A 19 -4.699 -15.733 -1.458 1.00 0.00 O ATOM 0 H GLU A 19 -4.347 -13.756 0.962 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.323 -11.021 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.909 -11.771 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.392 -12.647 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.940 -13.725 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.448 -14.040 -2.086 1.00 0.00 H new ATOM 293 N LYS A 20 -6.304 -10.202 1.166 1.00 0.00 N ATOM 294 CA LYS A 20 -7.350 -9.625 1.931 1.00 0.00 C ATOM 295 C LYS A 20 -7.927 -8.451 1.164 1.00 0.00 C ATOM 296 O LYS A 20 -7.213 -7.764 0.433 1.00 0.00 O ATOM 297 CB LYS A 20 -6.804 -9.207 3.284 1.00 0.00 C ATOM 298 CG LYS A 20 -7.843 -8.711 4.253 1.00 0.00 C ATOM 299 CD LYS A 20 -7.204 -8.425 5.571 1.00 0.00 C ATOM 300 CE LYS A 20 -8.164 -7.802 6.564 1.00 0.00 C ATOM 301 NZ LYS A 20 -7.498 -7.535 7.851 1.00 0.00 N ATOM 0 H LYS A 20 -5.697 -9.518 0.715 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.151 -10.344 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.286 -10.056 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.061 -8.423 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.316 -7.810 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.628 -9.457 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.808 -9.352 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.357 -7.755 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.561 -6.872 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.012 -8.468 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.178 -7.109 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.141 -8.427 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.704 -6.880 7.702 1.00 0.00 H new ATOM 315 N LYS A 21 -9.189 -8.245 1.306 1.00 0.00 N ATOM 316 CA LYS A 21 -9.906 -7.256 0.553 1.00 0.00 C ATOM 317 C LYS A 21 -10.016 -5.940 1.333 1.00 0.00 C ATOM 318 O LYS A 21 -10.413 -5.930 2.500 1.00 0.00 O ATOM 319 CB LYS A 21 -11.267 -7.848 0.239 1.00 0.00 C ATOM 320 CG LYS A 21 -12.190 -7.008 -0.603 1.00 0.00 C ATOM 321 CD LYS A 21 -13.442 -7.804 -0.946 1.00 0.00 C ATOM 322 CE LYS A 21 -14.218 -8.222 0.300 1.00 0.00 C ATOM 323 NZ LYS A 21 -15.383 -9.061 -0.038 1.00 0.00 N ATOM 0 H LYS A 21 -9.772 -8.766 1.961 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.382 -7.009 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.115 -8.800 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.769 -8.066 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.461 -6.099 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.683 -6.698 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.086 -7.205 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.162 -8.692 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.558 -8.770 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.553 -7.333 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.885 -9.325 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.025 -8.529 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.061 -9.921 -0.526 1.00 0.00 H new ATOM 337 N TYR A 22 -9.656 -4.843 0.687 1.00 0.00 N ATOM 338 CA TYR A 22 -9.686 -3.517 1.303 1.00 0.00 C ATOM 339 C TYR A 22 -10.405 -2.521 0.396 1.00 0.00 C ATOM 340 O TYR A 22 -10.402 -2.685 -0.819 1.00 0.00 O ATOM 341 CB TYR A 22 -8.266 -3.009 1.590 1.00 0.00 C ATOM 342 CG TYR A 22 -7.512 -3.779 2.648 1.00 0.00 C ATOM 343 CD1 TYR A 22 -7.662 -3.463 3.989 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.642 -4.802 2.311 1.00 0.00 C ATOM 345 CE1 TYR A 22 -6.968 -4.143 4.961 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.946 -5.489 3.281 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.113 -5.151 4.605 1.00 0.00 C ATOM 348 OH TYR A 22 -5.418 -5.828 5.580 1.00 0.00 O ATOM 0 H TYR A 22 -9.334 -4.842 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.226 -3.604 2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.692 -3.038 0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.325 -1.964 1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.336 -2.669 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.507 -5.065 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.097 -3.883 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.274 -6.288 3.005 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.650 -5.464 6.460 1.00 0.00 H new ATOM 358 N PRO A 23 -11.043 -1.476 0.972 1.00 0.00 N ATOM 359 CA PRO A 23 -11.768 -0.472 0.192 1.00 0.00 C ATOM 360 C PRO A 23 -10.850 0.438 -0.618 1.00 0.00 C ATOM 361 O PRO A 23 -9.799 0.870 -0.147 1.00 0.00 O ATOM 362 CB PRO A 23 -12.542 0.351 1.231 1.00 0.00 C ATOM 363 CG PRO A 23 -12.358 -0.358 2.532 1.00 0.00 C ATOM 364 CD PRO A 23 -11.118 -1.193 2.409 1.00 0.00 C ATOM 0 HA PRO A 23 -12.410 -0.956 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.161 1.371 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.598 0.418 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.261 0.356 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.223 -0.983 2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.236 -0.657 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.190 -2.109 2.996 1.00 0.00 H new ATOM 372 N ALA A 24 -11.291 0.737 -1.819 1.00 0.00 N ATOM 373 CA ALA A 24 -10.563 1.571 -2.768 1.00 0.00 C ATOM 374 C ALA A 24 -10.414 2.999 -2.282 1.00 0.00 C ATOM 375 O ALA A 24 -9.342 3.612 -2.389 1.00 0.00 O ATOM 376 CB ALA A 24 -11.285 1.547 -4.099 1.00 0.00 C ATOM 0 H ALA A 24 -12.185 0.403 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.557 1.165 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.748 2.168 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.331 0.523 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.296 1.933 -3.971 1.00 0.00 H new ATOM 382 N GLY A 25 -11.473 3.501 -1.745 1.00 0.00 N ATOM 383 CA GLY A 25 -11.531 4.878 -1.303 1.00 0.00 C ATOM 384 C GLY A 25 -10.900 5.106 0.052 1.00 0.00 C ATOM 385 O GLY A 25 -10.839 6.240 0.524 1.00 0.00 O ATOM 0 H GLY A 25 -12.334 2.976 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.031 5.508 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.573 5.196 -1.267 1.00 0.00 H new ATOM 389 N MET A 26 -10.432 4.049 0.675 1.00 0.00 N ATOM 390 CA MET A 26 -9.806 4.155 1.977 1.00 0.00 C ATOM 391 C MET A 26 -8.416 4.782 1.847 1.00 0.00 C ATOM 392 O MET A 26 -7.751 4.639 0.811 1.00 0.00 O ATOM 393 CB MET A 26 -9.720 2.771 2.629 1.00 0.00 C ATOM 394 CG MET A 26 -9.140 2.749 4.039 1.00 0.00 C ATOM 395 SD MET A 26 -9.038 1.082 4.723 1.00 0.00 S ATOM 396 CE MET A 26 -7.889 0.322 3.588 1.00 0.00 C ATOM 0 H MET A 26 -10.472 3.101 0.301 1.00 0.00 H new ATOM 0 HA MET A 26 -10.412 4.800 2.613 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.720 2.339 2.659 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.113 2.126 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.145 3.193 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.756 3.368 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.558 -0.635 3.991 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.379 0.161 2.628 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.027 0.975 3.451 1.00 0.00 H new ATOM 406 N SER A 27 -7.993 5.459 2.879 1.00 0.00 N ATOM 407 CA SER A 27 -6.712 6.114 2.910 1.00 0.00 C ATOM 408 C SER A 27 -5.646 5.127 3.285 1.00 0.00 C ATOM 409 O SER A 27 -5.914 4.133 3.986 1.00 0.00 O ATOM 410 CB SER A 27 -6.758 7.231 3.942 1.00 0.00 C ATOM 411 OG SER A 27 -7.212 6.735 5.185 1.00 0.00 O ATOM 0 H SER A 27 -8.536 5.573 3.735 1.00 0.00 H new ATOM 0 HA SER A 27 -6.484 6.525 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.766 7.669 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.419 8.026 3.597 1.00 0.00 H new ATOM 0 HG SER A 27 -7.235 7.464 5.839 1.00 0.00 H new ATOM 417 N LEU A 28 -4.436 5.380 2.820 1.00 0.00 N ATOM 418 CA LEU A 28 -3.311 4.532 3.147 1.00 0.00 C ATOM 419 C LEU A 28 -3.093 4.567 4.669 1.00 0.00 C ATOM 420 O LEU A 28 -2.655 3.598 5.254 1.00 0.00 O ATOM 421 CB LEU A 28 -2.079 5.046 2.402 1.00 0.00 C ATOM 422 CG LEU A 28 -0.867 4.080 2.160 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.198 3.648 3.434 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.291 2.860 1.360 1.00 0.00 C ATOM 0 H LEU A 28 -4.210 6.168 2.214 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.496 3.501 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.412 5.404 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.704 5.911 2.948 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.137 4.652 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.632 2.981 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.177 4.524 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.918 3.125 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.431 2.208 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.065 2.319 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.682 3.177 0.393 1.00 0.00 H new ATOM 436 N ASN A 29 -3.445 5.687 5.306 1.00 0.00 N ATOM 437 CA ASN A 29 -3.277 5.791 6.776 1.00 0.00 C ATOM 438 C ASN A 29 -4.114 4.764 7.535 1.00 0.00 C ATOM 439 O ASN A 29 -3.619 4.140 8.475 1.00 0.00 O ATOM 440 CB ASN A 29 -3.494 7.208 7.378 1.00 0.00 C ATOM 441 CG ASN A 29 -2.428 8.233 6.995 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.358 8.294 7.612 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.739 9.096 6.072 1.00 0.00 N ATOM 0 H ASN A 29 -3.836 6.514 4.855 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.219 5.568 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.468 7.579 7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.526 7.126 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.092 9.850 5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.630 9.019 5.581 1.00 0.00 H new ATOM 450 N ASP A 30 -5.366 4.558 7.121 1.00 0.00 N ATOM 451 CA ASP A 30 -6.236 3.573 7.805 1.00 0.00 C ATOM 452 C ASP A 30 -5.774 2.186 7.441 1.00 0.00 C ATOM 453 O ASP A 30 -5.907 1.258 8.218 1.00 0.00 O ATOM 454 CB ASP A 30 -7.695 3.732 7.391 1.00 0.00 C ATOM 455 CG ASP A 30 -8.661 2.988 8.332 1.00 0.00 C ATOM 456 OD1 ASP A 30 -8.948 1.794 8.127 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.142 3.607 9.302 1.00 0.00 O ATOM 0 H ASP A 30 -5.801 5.042 6.336 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.167 3.740 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.951 4.791 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.823 3.359 6.375 1.00 0.00 H new ATOM 462 N LEU A 31 -5.200 2.077 6.253 1.00 0.00 N ATOM 463 CA LEU A 31 -4.644 0.825 5.746 1.00 0.00 C ATOM 464 C LEU A 31 -3.521 0.406 6.677 1.00 0.00 C ATOM 465 O LEU A 31 -3.463 -0.735 7.132 1.00 0.00 O ATOM 466 CB LEU A 31 -4.142 1.048 4.283 1.00 0.00 C ATOM 467 CG LEU A 31 -3.580 -0.155 3.459 1.00 0.00 C ATOM 468 CD1 LEU A 31 -2.218 -0.610 3.944 1.00 0.00 C ATOM 469 CD2 LEU A 31 -4.555 -1.320 3.456 1.00 0.00 C ATOM 0 H LEU A 31 -5.104 2.859 5.606 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.390 0.031 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.972 1.470 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.362 1.808 4.320 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.456 0.204 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.876 -1.448 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.508 0.213 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.289 -0.923 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.137 -2.142 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.730 -1.651 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.498 -1.004 3.011 1.00 0.00 H new ATOM 481 N LYS A 32 -2.650 1.355 6.970 1.00 0.00 N ATOM 482 CA LYS A 32 -1.552 1.142 7.910 1.00 0.00 C ATOM 483 C LYS A 32 -2.106 0.782 9.253 1.00 0.00 C ATOM 484 O LYS A 32 -1.717 -0.185 9.805 1.00 0.00 O ATOM 485 CB LYS A 32 -0.687 2.392 8.064 1.00 0.00 C ATOM 486 CG LYS A 32 -0.124 2.920 6.777 1.00 0.00 C ATOM 487 CD LYS A 32 0.785 4.131 6.994 1.00 0.00 C ATOM 488 CE LYS A 32 1.990 3.804 7.867 1.00 0.00 C ATOM 489 NZ LYS A 32 2.870 4.972 8.042 1.00 0.00 N ATOM 0 H LYS A 32 -2.679 2.292 6.568 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.933 0.336 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.282 3.175 8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.137 2.168 8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.439 2.131 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.942 3.197 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.129 4.501 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.212 4.934 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.649 3.456 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.554 2.987 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.571 4.771 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.361 5.174 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.301 5.797 8.319 1.00 0.00 H new ATOM 503 N LYS A 33 -3.051 1.567 9.752 1.00 0.00 N ATOM 504 CA LYS A 33 -3.648 1.331 11.014 1.00 0.00 C ATOM 505 C LYS A 33 -4.341 -0.031 11.105 1.00 0.00 C ATOM 506 O LYS A 33 -4.428 -0.620 12.185 1.00 0.00 O ATOM 507 CB LYS A 33 -4.592 2.454 11.317 1.00 0.00 C ATOM 508 CG LYS A 33 -3.874 3.736 11.633 1.00 0.00 C ATOM 509 CD LYS A 33 -4.775 4.763 12.270 1.00 0.00 C ATOM 510 CE LYS A 33 -5.939 5.198 11.387 1.00 0.00 C ATOM 511 NZ LYS A 33 -6.799 6.202 12.070 1.00 0.00 N ATOM 0 H LYS A 33 -3.413 2.389 9.269 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.859 1.299 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.252 2.611 10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.223 2.177 12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.039 3.525 12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.452 4.147 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.170 4.357 13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.182 5.640 12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.554 5.619 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.538 4.328 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.580 6.475 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.186 5.791 12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.233 7.042 12.304 1.00 0.00 H new ATOM 525 N LYS A 34 -4.818 -0.531 9.977 1.00 0.00 N ATOM 526 CA LYS A 34 -5.450 -1.836 9.928 1.00 0.00 C ATOM 527 C LYS A 34 -4.359 -2.885 10.094 1.00 0.00 C ATOM 528 O LYS A 34 -4.505 -3.858 10.842 1.00 0.00 O ATOM 529 CB LYS A 34 -6.131 -2.045 8.569 1.00 0.00 C ATOM 530 CG LYS A 34 -7.526 -2.670 8.633 1.00 0.00 C ATOM 531 CD LYS A 34 -8.619 -1.621 8.880 1.00 0.00 C ATOM 532 CE LYS A 34 -8.455 -0.839 10.171 1.00 0.00 C ATOM 533 NZ LYS A 34 -9.465 0.225 10.277 1.00 0.00 N ATOM 0 H LYS A 34 -4.778 -0.049 9.079 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.200 -1.915 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.204 -1.082 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.493 -2.680 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.731 -3.193 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.553 -3.415 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.630 -0.921 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.588 -2.119 8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.543 -1.514 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.457 -0.403 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.169 0.914 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.562 0.704 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.379 -0.190 10.549 1.00 0.00 H new ATOM 547 N LEU A 35 -3.261 -2.653 9.398 1.00 0.00 N ATOM 548 CA LEU A 35 -2.083 -3.483 9.447 1.00 0.00 C ATOM 549 C LEU A 35 -1.469 -3.448 10.833 1.00 0.00 C ATOM 550 O LEU A 35 -1.159 -4.476 11.407 1.00 0.00 O ATOM 551 CB LEU A 35 -1.083 -2.980 8.399 1.00 0.00 C ATOM 552 CG LEU A 35 -1.470 -3.165 6.935 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.339 -2.710 6.033 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.843 -4.610 6.645 1.00 0.00 C ATOM 0 H LEU A 35 -3.167 -1.858 8.766 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.351 -4.517 9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.913 -1.918 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.132 -3.487 8.566 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.347 -2.550 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.627 -2.847 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.129 -1.656 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.554 -3.299 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.114 -4.712 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.993 -5.256 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.689 -4.899 7.268 1.00 0.00 H new ATOM 566 N GLU A 36 -1.338 -2.262 11.357 1.00 0.00 N ATOM 567 CA GLU A 36 -0.808 -1.993 12.659 1.00 0.00 C ATOM 568 C GLU A 36 -1.585 -2.661 13.753 1.00 0.00 C ATOM 569 O GLU A 36 -1.037 -2.994 14.797 1.00 0.00 O ATOM 570 CB GLU A 36 -0.730 -0.507 12.874 1.00 0.00 C ATOM 571 CG GLU A 36 0.306 0.182 12.007 1.00 0.00 C ATOM 572 CD GLU A 36 1.691 -0.382 12.175 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.922 -1.566 11.849 1.00 0.00 O ATOM 574 OE2 GLU A 36 2.532 0.338 12.650 1.00 0.00 O ATOM 0 H GLU A 36 -1.613 -1.415 10.860 1.00 0.00 H new ATOM 0 HA GLU A 36 0.195 -2.418 12.703 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.708 -0.068 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.501 -0.312 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.010 0.096 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.322 1.245 12.247 1.00 0.00 H new ATOM 581 N LEU A 37 -2.857 -2.832 13.535 1.00 0.00 N ATOM 582 CA LEU A 37 -3.705 -3.525 14.484 1.00 0.00 C ATOM 583 C LEU A 37 -3.282 -4.998 14.576 1.00 0.00 C ATOM 584 O LEU A 37 -3.374 -5.627 15.634 1.00 0.00 O ATOM 585 CB LEU A 37 -5.167 -3.416 14.054 1.00 0.00 C ATOM 586 CG LEU A 37 -6.210 -4.017 15.000 1.00 0.00 C ATOM 587 CD1 LEU A 37 -6.220 -3.281 16.330 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.589 -3.999 14.359 1.00 0.00 C ATOM 0 H LEU A 37 -3.342 -2.500 12.701 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.597 -3.066 15.467 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.403 -2.361 13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.272 -3.897 13.082 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.939 -5.055 15.192 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.969 -3.725 16.986 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.238 -3.358 16.796 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.461 -2.231 16.163 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.316 -4.430 15.047 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.871 -2.971 14.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.570 -4.583 13.439 1.00 0.00 H new ATOM 600 N VAL A 38 -2.800 -5.525 13.471 1.00 0.00 N ATOM 601 CA VAL A 38 -2.354 -6.897 13.416 1.00 0.00 C ATOM 602 C VAL A 38 -0.869 -6.998 13.792 1.00 0.00 C ATOM 603 O VAL A 38 -0.473 -7.879 14.550 1.00 0.00 O ATOM 604 CB VAL A 38 -2.578 -7.499 11.994 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.094 -8.944 11.915 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.047 -7.413 11.603 1.00 0.00 C ATOM 0 H VAL A 38 -2.707 -5.017 12.592 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.943 -7.467 14.135 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.990 -6.910 11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.266 -9.331 10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.029 -8.984 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.641 -9.551 12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.184 -7.837 10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.648 -7.970 12.322 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.362 -6.369 11.599 1.00 0.00 H new ATOM 616 N VAL A 39 -0.065 -6.070 13.296 1.00 0.00 N ATOM 617 CA VAL A 39 1.376 -6.116 13.519 1.00 0.00 C ATOM 618 C VAL A 39 1.767 -5.566 14.894 1.00 0.00 C ATOM 619 O VAL A 39 2.744 -6.016 15.487 1.00 0.00 O ATOM 620 CB VAL A 39 2.161 -5.387 12.383 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.664 -5.571 12.544 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.721 -5.892 11.013 1.00 0.00 C ATOM 0 H VAL A 39 -0.382 -5.277 12.738 1.00 0.00 H new ATOM 0 HA VAL A 39 1.658 -7.169 13.498 1.00 0.00 H new ATOM 0 HB VAL A 39 1.934 -4.323 12.458 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.183 -5.052 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.980 -5.160 13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.907 -6.633 12.507 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.280 -5.371 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.912 -6.963 10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.656 -5.704 10.881 1.00 0.00 H new ATOM 632 N GLY A 40 0.984 -4.654 15.428 1.00 0.00 N ATOM 633 CA GLY A 40 1.293 -4.106 16.738 1.00 0.00 C ATOM 634 C GLY A 40 2.360 -3.011 16.709 1.00 0.00 C ATOM 635 O GLY A 40 2.783 -2.530 17.763 1.00 0.00 O ATOM 0 H GLY A 40 0.143 -4.279 14.988 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.381 -3.701 17.177 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.630 -4.912 17.389 1.00 0.00 H new ATOM 639 N THR A 41 2.796 -2.630 15.527 1.00 0.00 N ATOM 640 CA THR A 41 3.797 -1.562 15.378 1.00 0.00 C ATOM 641 C THR A 41 3.089 -0.162 15.471 1.00 0.00 C ATOM 642 O THR A 41 1.853 -0.089 15.709 1.00 0.00 O ATOM 643 CB THR A 41 4.537 -1.737 14.006 1.00 0.00 C ATOM 644 OG1 THR A 41 4.980 -3.101 13.886 1.00 0.00 O ATOM 645 CG2 THR A 41 5.774 -0.844 13.885 1.00 0.00 C ATOM 0 H THR A 41 2.480 -3.037 14.646 1.00 0.00 H new ATOM 0 HA THR A 41 4.535 -1.622 16.178 1.00 0.00 H new ATOM 0 HB THR A 41 3.830 -1.460 13.224 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.442 -3.221 13.030 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.247 -1.006 12.916 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.478 0.201 13.974 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.479 -1.090 14.679 1.00 0.00 H new ATOM 653 N THR A 42 3.848 0.916 15.341 1.00 0.00 N ATOM 654 CA THR A 42 3.312 2.246 15.325 1.00 0.00 C ATOM 655 C THR A 42 3.408 2.856 13.915 1.00 0.00 C ATOM 656 O THR A 42 4.387 2.623 13.189 1.00 0.00 O ATOM 657 CB THR A 42 3.993 3.139 16.376 1.00 0.00 C ATOM 658 OG1 THR A 42 5.418 3.066 16.222 1.00 0.00 O ATOM 659 CG2 THR A 42 3.609 2.710 17.786 1.00 0.00 C ATOM 0 H THR A 42 4.863 0.879 15.243 1.00 0.00 H new ATOM 0 HA THR A 42 2.257 2.187 15.591 1.00 0.00 H new ATOM 0 HB THR A 42 3.658 4.165 16.224 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.849 3.637 16.892 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.104 3.357 18.511 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.529 2.787 17.908 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.920 1.678 17.950 1.00 0.00 H new ATOM 667 N VAL A 43 2.425 3.688 13.577 1.00 0.00 N ATOM 668 CA VAL A 43 2.227 4.207 12.219 1.00 0.00 C ATOM 669 C VAL A 43 3.453 4.960 11.689 1.00 0.00 C ATOM 670 O VAL A 43 3.845 4.788 10.534 1.00 0.00 O ATOM 671 CB VAL A 43 0.981 5.155 12.175 1.00 0.00 C ATOM 672 CG1 VAL A 43 0.722 5.690 10.774 1.00 0.00 C ATOM 673 CG2 VAL A 43 -0.257 4.450 12.707 1.00 0.00 C ATOM 0 H VAL A 43 1.733 4.027 14.245 1.00 0.00 H new ATOM 0 HA VAL A 43 2.065 3.342 11.576 1.00 0.00 H new ATOM 0 HB VAL A 43 1.205 6.006 12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.151 6.343 10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.591 6.253 10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.540 4.857 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.108 5.129 12.666 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.465 3.570 12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.086 4.144 13.739 1.00 0.00 H new ATOM 683 N ASP A 44 4.066 5.747 12.526 1.00 0.00 N ATOM 684 CA ASP A 44 5.213 6.555 12.111 1.00 0.00 C ATOM 685 C ASP A 44 6.459 5.693 11.839 1.00 0.00 C ATOM 686 O ASP A 44 7.301 6.032 11.004 1.00 0.00 O ATOM 687 CB ASP A 44 5.519 7.615 13.163 1.00 0.00 C ATOM 688 CG ASP A 44 6.673 8.516 12.778 1.00 0.00 C ATOM 689 OD1 ASP A 44 6.455 9.506 12.054 1.00 0.00 O ATOM 690 OD2 ASP A 44 7.812 8.259 13.208 1.00 0.00 O ATOM 0 H ASP A 44 3.802 5.857 13.505 1.00 0.00 H new ATOM 0 HA ASP A 44 4.947 7.045 11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.630 8.223 13.327 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.748 7.124 14.109 1.00 0.00 H new ATOM 695 N SER A 45 6.549 4.567 12.505 1.00 0.00 N ATOM 696 CA SER A 45 7.681 3.714 12.414 1.00 0.00 C ATOM 697 C SER A 45 7.497 2.587 11.398 1.00 0.00 C ATOM 698 O SER A 45 8.391 1.763 11.217 1.00 0.00 O ATOM 699 CB SER A 45 7.904 3.125 13.771 1.00 0.00 C ATOM 700 OG SER A 45 8.194 4.131 14.728 1.00 0.00 O ATOM 0 H SER A 45 5.821 4.224 13.131 1.00 0.00 H new ATOM 0 HA SER A 45 8.533 4.302 12.074 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.017 2.571 14.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.727 2.412 13.729 1.00 0.00 H new ATOM 0 HG SER A 45 8.333 3.717 15.605 1.00 0.00 H new ATOM 706 N MET A 46 6.381 2.563 10.743 1.00 0.00 N ATOM 707 CA MET A 46 6.070 1.463 9.838 1.00 0.00 C ATOM 708 C MET A 46 5.852 1.997 8.414 1.00 0.00 C ATOM 709 O MET A 46 5.037 2.904 8.202 1.00 0.00 O ATOM 710 CB MET A 46 4.798 0.780 10.343 1.00 0.00 C ATOM 711 CG MET A 46 4.522 -0.601 9.785 1.00 0.00 C ATOM 712 SD MET A 46 5.776 -1.800 10.300 1.00 0.00 S ATOM 713 CE MET A 46 5.075 -3.306 9.670 1.00 0.00 C ATOM 0 H MET A 46 5.661 3.282 10.806 1.00 0.00 H new ATOM 0 HA MET A 46 6.895 0.751 9.812 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.855 0.707 11.429 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.948 1.421 10.110 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.540 -0.937 10.118 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.491 -0.553 8.696 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.462 -4.153 10.238 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.990 -3.270 9.766 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.343 -3.421 8.620 1.00 0.00 H new ATOM 723 N ARG A 47 6.574 1.455 7.444 1.00 0.00 N ATOM 724 CA ARG A 47 6.437 1.877 6.062 1.00 0.00 C ATOM 725 C ARG A 47 5.952 0.795 5.157 1.00 0.00 C ATOM 726 O ARG A 47 6.268 -0.372 5.337 1.00 0.00 O ATOM 727 CB ARG A 47 7.649 2.578 5.487 1.00 0.00 C ATOM 728 CG ARG A 47 7.861 3.966 6.036 1.00 0.00 C ATOM 729 CD ARG A 47 8.933 4.713 5.270 1.00 0.00 C ATOM 730 NE ARG A 47 10.234 4.030 5.272 1.00 0.00 N ATOM 731 CZ ARG A 47 11.422 4.641 5.163 1.00 0.00 C ATOM 732 NH1 ARG A 47 11.494 5.961 5.090 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.536 3.917 5.120 1.00 0.00 N ATOM 0 H ARG A 47 7.264 0.718 7.592 1.00 0.00 H new ATOM 0 HA ARG A 47 5.655 2.635 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.536 1.977 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.544 2.637 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.925 4.523 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.142 3.903 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.604 4.850 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.052 5.707 5.702 1.00 0.00 H new ATOM 0 HE ARG A 47 10.233 3.014 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.642 6.520 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.402 6.418 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.485 2.899 5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.442 4.379 5.037 1.00 0.00 H new ATOM 747 N ILE A 48 5.145 1.196 4.211 1.00 0.00 N ATOM 748 CA ILE A 48 4.502 0.280 3.287 1.00 0.00 C ATOM 749 C ILE A 48 5.061 0.424 1.862 1.00 0.00 C ATOM 750 O ILE A 48 5.160 1.526 1.336 1.00 0.00 O ATOM 751 CB ILE A 48 2.927 0.471 3.270 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.234 -0.076 4.551 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.295 -0.131 2.031 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.593 0.622 5.845 1.00 0.00 C ATOM 0 H ILE A 48 4.909 2.176 4.053 1.00 0.00 H new ATOM 0 HA ILE A 48 4.723 -0.725 3.645 1.00 0.00 H new ATOM 0 HB ILE A 48 2.766 1.549 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.155 -0.011 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.480 -1.133 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.216 0.023 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.705 0.350 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.508 -1.199 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.053 0.159 6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.665 0.536 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.320 1.675 5.778 1.00 0.00 H new ATOM 766 N GLN A 49 5.426 -0.689 1.271 1.00 0.00 N ATOM 767 CA GLN A 49 5.865 -0.752 -0.102 1.00 0.00 C ATOM 768 C GLN A 49 4.861 -1.542 -0.910 1.00 0.00 C ATOM 769 O GLN A 49 4.194 -2.419 -0.379 1.00 0.00 O ATOM 770 CB GLN A 49 7.256 -1.406 -0.271 1.00 0.00 C ATOM 771 CG GLN A 49 8.432 -0.647 0.332 1.00 0.00 C ATOM 772 CD GLN A 49 8.430 -0.618 1.835 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.950 -1.542 2.486 1.00 0.00 O ATOM 774 NE2 GLN A 49 8.956 0.423 2.395 1.00 0.00 N ATOM 0 H GLN A 49 5.426 -1.594 1.741 1.00 0.00 H new ATOM 0 HA GLN A 49 5.944 0.277 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.224 -2.400 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.445 -1.541 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.361 -1.102 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.421 0.377 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.345 1.170 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.982 0.497 3.412 1.00 0.00 H new ATOM 783 N LEU A 50 4.736 -1.228 -2.160 1.00 0.00 N ATOM 784 CA LEU A 50 3.858 -1.970 -3.035 1.00 0.00 C ATOM 785 C LEU A 50 4.677 -2.686 -4.068 1.00 0.00 C ATOM 786 O LEU A 50 5.489 -2.067 -4.782 1.00 0.00 O ATOM 787 CB LEU A 50 2.772 -1.044 -3.671 1.00 0.00 C ATOM 788 CG LEU A 50 1.704 -1.661 -4.632 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.591 -0.665 -4.843 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.289 -2.004 -5.993 1.00 0.00 C ATOM 0 H LEU A 50 5.231 -0.458 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 50 3.314 -2.715 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.236 -0.560 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.292 -0.260 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 50 1.340 -2.577 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.156 -1.091 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.127 -0.429 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.996 0.246 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.511 -2.430 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.682 -1.100 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.094 -2.729 -5.871 1.00 0.00 H new ATOM 802 N PHE A 51 4.488 -3.959 -4.132 1.00 0.00 N ATOM 803 CA PHE A 51 5.128 -4.785 -5.097 1.00 0.00 C ATOM 804 C PHE A 51 4.082 -5.283 -6.060 1.00 0.00 C ATOM 805 O PHE A 51 2.906 -5.452 -5.694 1.00 0.00 O ATOM 806 CB PHE A 51 5.850 -5.967 -4.433 1.00 0.00 C ATOM 807 CG PHE A 51 7.020 -5.587 -3.555 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.835 -5.231 -2.232 1.00 0.00 C ATOM 809 CD2 PHE A 51 8.308 -5.603 -4.059 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.914 -4.900 -1.432 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.387 -5.271 -3.265 1.00 0.00 C ATOM 812 CZ PHE A 51 9.188 -4.920 -1.950 1.00 0.00 C ATOM 0 H PHE A 51 3.869 -4.467 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 51 5.883 -4.203 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.130 -6.523 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.204 -6.642 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.837 -5.211 -1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.472 -5.880 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.756 -4.626 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.386 -5.287 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.030 -4.661 -1.326 1.00 0.00 H new ATOM 822 N ASP A 52 4.471 -5.476 -7.271 1.00 0.00 N ATOM 823 CA ASP A 52 3.583 -5.956 -8.275 1.00 0.00 C ATOM 824 C ASP A 52 3.523 -7.470 -8.290 1.00 0.00 C ATOM 825 O ASP A 52 4.092 -8.144 -7.422 1.00 0.00 O ATOM 826 CB ASP A 52 3.970 -5.416 -9.644 1.00 0.00 C ATOM 827 CG ASP A 52 5.417 -5.640 -9.996 1.00 0.00 C ATOM 828 OD1 ASP A 52 5.832 -6.785 -10.134 1.00 0.00 O ATOM 829 OD2 ASP A 52 6.142 -4.655 -10.183 1.00 0.00 O ATOM 0 H ASP A 52 5.422 -5.304 -7.597 1.00 0.00 H new ATOM 0 HA ASP A 52 2.585 -5.591 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.344 -5.888 -10.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.759 -4.347 -9.676 1.00 0.00 H new ATOM 834 N GLY A 53 2.837 -7.999 -9.276 1.00 0.00 N ATOM 835 CA GLY A 53 2.659 -9.421 -9.384 1.00 0.00 C ATOM 836 C GLY A 53 3.847 -10.101 -10.021 1.00 0.00 C ATOM 837 O GLY A 53 3.906 -11.335 -10.086 1.00 0.00 O ATOM 0 H GLY A 53 2.392 -7.458 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.492 -9.840 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.765 -9.629 -9.972 1.00 0.00 H new ATOM 841 N ASP A 54 4.787 -9.317 -10.495 1.00 0.00 N ATOM 842 CA ASP A 54 5.977 -9.841 -11.081 1.00 0.00 C ATOM 843 C ASP A 54 6.979 -10.027 -9.967 1.00 0.00 C ATOM 844 O ASP A 54 7.306 -11.164 -9.599 1.00 0.00 O ATOM 845 CB ASP A 54 6.552 -8.888 -12.160 1.00 0.00 C ATOM 846 CG ASP A 54 5.604 -8.603 -13.315 1.00 0.00 C ATOM 847 OD1 ASP A 54 4.804 -7.638 -13.228 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.658 -9.318 -14.338 1.00 0.00 O ATOM 0 H ASP A 54 4.739 -8.298 -10.480 1.00 0.00 H new ATOM 0 HA ASP A 54 5.757 -10.785 -11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.823 -7.944 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.470 -9.320 -12.558 1.00 0.00 H new ATOM 853 N ASP A 55 7.413 -8.900 -9.376 1.00 0.00 N ATOM 854 CA ASP A 55 8.395 -8.900 -8.279 1.00 0.00 C ATOM 855 C ASP A 55 8.789 -7.491 -7.872 1.00 0.00 C ATOM 856 O ASP A 55 9.028 -7.223 -6.690 1.00 0.00 O ATOM 857 CB ASP A 55 9.677 -9.659 -8.655 1.00 0.00 C ATOM 858 CG ASP A 55 10.680 -9.724 -7.508 1.00 0.00 C ATOM 859 OD1 ASP A 55 10.536 -10.600 -6.629 1.00 0.00 O ATOM 860 OD2 ASP A 55 11.614 -8.898 -7.454 1.00 0.00 O ATOM 0 H ASP A 55 7.095 -7.969 -9.644 1.00 0.00 H new ATOM 0 HA ASP A 55 7.902 -9.401 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.418 -10.672 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.143 -9.174 -9.513 1.00 0.00 H new ATOM 865 N GLN A 56 8.849 -6.608 -8.846 1.00 0.00 N ATOM 866 CA GLN A 56 9.370 -5.259 -8.659 1.00 0.00 C ATOM 867 C GLN A 56 8.565 -4.416 -7.687 1.00 0.00 C ATOM 868 O GLN A 56 7.347 -4.567 -7.532 1.00 0.00 O ATOM 869 CB GLN A 56 9.507 -4.490 -9.977 1.00 0.00 C ATOM 870 CG GLN A 56 10.539 -5.009 -11.001 1.00 0.00 C ATOM 871 CD GLN A 56 10.290 -6.416 -11.507 1.00 0.00 C ATOM 872 OE1 GLN A 56 9.579 -6.619 -12.486 1.00 0.00 O ATOM 873 NE2 GLN A 56 10.901 -7.379 -10.881 1.00 0.00 N ATOM 0 H GLN A 56 8.537 -6.801 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 56 10.358 -5.423 -8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.531 -4.476 -10.461 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.760 -3.457 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.555 -4.330 -11.854 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.529 -4.973 -10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.484 -7.171 -10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.797 -8.342 -11.201 1.00 0.00 H new ATOM 882 N LEU A 57 9.273 -3.551 -7.030 1.00 0.00 N ATOM 883 CA LEU A 57 8.708 -2.590 -6.125 1.00 0.00 C ATOM 884 C LEU A 57 8.267 -1.404 -6.948 1.00 0.00 C ATOM 885 O LEU A 57 9.079 -0.772 -7.625 1.00 0.00 O ATOM 886 CB LEU A 57 9.755 -2.225 -5.031 1.00 0.00 C ATOM 887 CG LEU A 57 9.359 -1.257 -3.879 1.00 0.00 C ATOM 888 CD1 LEU A 57 10.370 -1.378 -2.756 1.00 0.00 C ATOM 889 CD2 LEU A 57 9.365 0.187 -4.335 1.00 0.00 C ATOM 0 H LEU A 57 10.288 -3.489 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 57 7.841 -2.983 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.087 -3.157 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.618 -1.793 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 57 8.355 -1.530 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.097 -0.702 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.381 -2.403 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.361 -1.117 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.083 0.832 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.363 0.455 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.653 0.314 -5.150 1.00 0.00 H new ATOM 901 N LYS A 58 7.008 -1.119 -6.921 1.00 0.00 N ATOM 902 CA LYS A 58 6.474 -0.020 -7.696 1.00 0.00 C ATOM 903 C LYS A 58 6.611 1.298 -6.997 1.00 0.00 C ATOM 904 O LYS A 58 6.828 2.331 -7.636 1.00 0.00 O ATOM 905 CB LYS A 58 5.050 -0.290 -8.145 1.00 0.00 C ATOM 906 CG LYS A 58 4.964 -1.213 -9.355 1.00 0.00 C ATOM 907 CD LYS A 58 5.545 -0.516 -10.593 1.00 0.00 C ATOM 908 CE LYS A 58 5.579 -1.417 -11.815 1.00 0.00 C ATOM 909 NZ LYS A 58 6.497 -2.564 -11.657 1.00 0.00 N ATOM 0 H LYS A 58 6.316 -1.628 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 58 7.084 0.054 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.494 -0.733 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.566 0.657 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.510 -2.136 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.926 -1.490 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.951 0.370 -10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.556 -0.175 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.574 -1.787 -12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.882 -0.832 -12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.758 -2.932 -12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.354 -2.256 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.026 -3.313 -11.110 1.00 0.00 H new ATOM 923 N GLY A 59 6.494 1.275 -5.716 1.00 0.00 N ATOM 924 CA GLY A 59 6.682 2.472 -4.968 1.00 0.00 C ATOM 925 C GLY A 59 6.560 2.249 -3.507 1.00 0.00 C ATOM 926 O GLY A 59 6.077 1.186 -3.068 1.00 0.00 O ATOM 0 H GLY A 59 6.270 0.447 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.666 2.885 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.947 3.213 -5.283 1.00 0.00 H new ATOM 930 N GLU A 60 6.996 3.214 -2.748 1.00 0.00 N ATOM 931 CA GLU A 60 6.891 3.166 -1.340 1.00 0.00 C ATOM 932 C GLU A 60 5.808 4.131 -0.954 1.00 0.00 C ATOM 933 O GLU A 60 5.883 5.324 -1.250 1.00 0.00 O ATOM 934 CB GLU A 60 8.225 3.511 -0.674 1.00 0.00 C ATOM 935 CG GLU A 60 8.206 3.427 0.845 1.00 0.00 C ATOM 936 CD GLU A 60 9.553 3.719 1.456 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.898 4.908 1.593 1.00 0.00 O ATOM 938 OE2 GLU A 60 10.285 2.759 1.796 1.00 0.00 O ATOM 0 H GLU A 60 7.438 4.061 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 60 6.641 2.161 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.993 2.837 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.514 4.520 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.473 4.133 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.882 2.431 1.147 1.00 0.00 H new ATOM 945 N LEU A 61 4.809 3.616 -0.334 1.00 0.00 N ATOM 946 CA LEU A 61 3.645 4.356 0.024 1.00 0.00 C ATOM 947 C LEU A 61 3.862 5.005 1.377 1.00 0.00 C ATOM 948 O LEU A 61 4.994 5.305 1.729 1.00 0.00 O ATOM 949 CB LEU A 61 2.415 3.409 0.059 1.00 0.00 C ATOM 950 CG LEU A 61 2.010 2.710 -1.257 1.00 0.00 C ATOM 951 CD1 LEU A 61 1.763 3.706 -2.367 1.00 0.00 C ATOM 952 CD2 LEU A 61 3.005 1.663 -1.685 1.00 0.00 C ATOM 0 H LEU A 61 4.774 2.637 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 61 3.458 5.136 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.607 2.637 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.559 3.984 0.411 1.00 0.00 H new ATOM 0 HG LEU A 61 1.071 2.195 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.480 3.175 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.959 4.382 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.671 4.280 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.672 1.203 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.979 2.128 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.085 0.900 -0.911 1.00 0.00 H new ATOM 964 N THR A 62 2.763 5.146 2.127 1.00 0.00 N ATOM 965 CA THR A 62 2.636 5.832 3.422 1.00 0.00 C ATOM 966 C THR A 62 1.946 7.186 3.216 1.00 0.00 C ATOM 967 O THR A 62 1.645 7.907 4.164 1.00 0.00 O ATOM 968 CB THR A 62 3.970 5.943 4.285 1.00 0.00 C ATOM 969 OG1 THR A 62 3.632 6.032 5.667 1.00 0.00 O ATOM 970 CG2 THR A 62 4.791 7.197 3.927 1.00 0.00 C ATOM 0 H THR A 62 1.871 4.755 1.823 1.00 0.00 H new ATOM 0 HA THR A 62 2.012 5.191 4.045 1.00 0.00 H new ATOM 0 HB THR A 62 4.566 5.056 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.879 6.649 5.781 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.691 7.230 4.541 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.071 7.160 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.193 8.089 4.112 1.00 0.00 H new ATOM 978 N ASP A 63 1.654 7.489 1.951 1.00 0.00 N ATOM 979 CA ASP A 63 0.911 8.690 1.589 1.00 0.00 C ATOM 980 C ASP A 63 -0.544 8.373 1.763 1.00 0.00 C ATOM 981 O ASP A 63 -1.119 7.651 0.956 1.00 0.00 O ATOM 982 CB ASP A 63 1.110 9.056 0.121 1.00 0.00 C ATOM 983 CG ASP A 63 2.556 9.133 -0.309 1.00 0.00 C ATOM 984 OD1 ASP A 63 3.109 8.102 -0.731 1.00 0.00 O ATOM 985 OD2 ASP A 63 3.157 10.231 -0.247 1.00 0.00 O ATOM 0 H ASP A 63 1.925 6.911 1.155 1.00 0.00 H new ATOM 0 HA ASP A 63 1.255 9.517 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.598 8.319 -0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.635 10.018 -0.069 1.00 0.00 H new ATOM 990 N GLY A 64 -1.137 8.877 2.789 1.00 0.00 N ATOM 991 CA GLY A 64 -2.510 8.527 3.059 1.00 0.00 C ATOM 992 C GLY A 64 -3.473 9.627 2.774 1.00 0.00 C ATOM 993 O GLY A 64 -4.666 9.455 2.959 1.00 0.00 O ATOM 0 H GLY A 64 -0.711 9.524 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.779 7.656 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.603 8.236 4.105 1.00 0.00 H new ATOM 997 N ALA A 65 -2.970 10.757 2.312 1.00 0.00 N ATOM 998 CA ALA A 65 -3.831 11.875 1.947 1.00 0.00 C ATOM 999 C ALA A 65 -4.577 11.541 0.663 1.00 0.00 C ATOM 1000 O ALA A 65 -5.529 12.211 0.271 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.019 13.144 1.788 1.00 0.00 C ATOM 0 H ALA A 65 -1.973 10.928 2.180 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.556 12.045 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.680 13.967 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.519 13.376 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.273 13.003 1.006 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.127 10.491 0.037 1.00 0.00 N ATOM 1008 CA LYS A 66 -4.699 9.964 -1.148 1.00 0.00 C ATOM 1009 C LYS A 66 -5.082 8.509 -0.892 1.00 0.00 C ATOM 1010 O LYS A 66 -4.461 7.839 -0.051 1.00 0.00 O ATOM 1011 CB LYS A 66 -3.709 10.153 -2.301 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.295 9.673 -1.989 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.277 10.152 -3.024 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.586 9.657 -4.418 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.597 10.136 -5.407 1.00 0.00 N ATOM 0 H LYS A 66 -3.316 9.963 0.361 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.611 10.487 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.079 9.618 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.673 11.210 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.002 10.031 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.284 8.584 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.253 11.242 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.283 9.812 -2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.603 8.567 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.582 9.992 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.846 9.774 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.599 11.176 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.350 9.795 -5.144 1.00 0.00 H new ATOM 1029 N SER A 67 -6.101 8.044 -1.560 1.00 0.00 N ATOM 1030 CA SER A 67 -6.633 6.740 -1.315 1.00 0.00 C ATOM 1031 C SER A 67 -5.842 5.683 -2.005 1.00 0.00 C ATOM 1032 O SER A 67 -4.945 5.980 -2.809 1.00 0.00 O ATOM 1033 CB SER A 67 -8.070 6.690 -1.788 1.00 0.00 C ATOM 1034 OG SER A 67 -8.170 7.136 -3.137 1.00 0.00 O ATOM 0 H SER A 67 -6.585 8.564 -2.292 1.00 0.00 H new ATOM 0 HA SER A 67 -6.581 6.548 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.450 5.672 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.692 7.314 -1.146 1.00 0.00 H new ATOM 0 HG SER A 67 -9.105 7.095 -3.427 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.200 4.451 -1.731 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.569 3.308 -2.353 1.00 0.00 C ATOM 1042 C LEU A 68 -5.811 3.363 -3.846 1.00 0.00 C ATOM 1043 O LEU A 68 -4.944 3.023 -4.654 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.153 2.007 -1.791 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.987 1.771 -0.288 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.576 0.428 0.101 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.525 1.842 0.116 1.00 0.00 C ATOM 0 H LEU A 68 -6.938 4.211 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.499 3.332 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.218 1.984 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.693 1.172 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.524 2.559 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.451 0.273 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.637 0.411 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.063 -0.365 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.435 1.671 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.962 1.079 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.127 2.827 -0.129 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.971 3.867 -4.196 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.400 3.948 -5.563 1.00 0.00 C ATOM 1061 C LYS A 69 -6.584 4.982 -6.309 1.00 0.00 C ATOM 1062 O LYS A 69 -6.216 4.779 -7.467 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.885 4.286 -5.613 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.496 4.287 -7.003 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.991 4.514 -6.924 1.00 0.00 C ATOM 1066 CE LYS A 69 -11.642 4.462 -8.291 1.00 0.00 C ATOM 1067 NZ LYS A 69 -13.104 4.592 -8.190 1.00 0.00 N ATOM 0 H LYS A 69 -7.648 4.235 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.245 2.984 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.426 3.570 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.034 5.269 -5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.035 5.067 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.292 3.337 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.440 3.758 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.188 5.483 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.246 5.262 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.391 3.521 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.524 4.536 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.481 3.824 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.342 5.508 -7.760 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.271 6.075 -5.641 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.498 7.149 -6.262 1.00 0.00 C ATOM 1083 C ASP A 70 -4.031 6.765 -6.296 1.00 0.00 C ATOM 1084 O ASP A 70 -3.293 7.136 -7.198 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.681 8.449 -5.499 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.134 9.657 -6.253 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.856 10.227 -7.093 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.994 10.048 -6.024 1.00 0.00 O ATOM 0 H ASP A 70 -6.536 6.249 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.856 7.297 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.741 8.601 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.181 8.372 -4.533 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.634 5.983 -5.315 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.257 5.468 -5.206 1.00 0.00 C ATOM 1095 C LEU A 71 -1.969 4.365 -6.228 1.00 0.00 C ATOM 1096 O LEU A 71 -0.816 3.992 -6.435 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.988 4.919 -3.793 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.804 5.928 -2.655 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.769 5.198 -1.335 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.500 6.682 -2.844 1.00 0.00 C ATOM 0 H LEU A 71 -4.248 5.677 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.596 6.310 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.816 4.262 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.092 4.300 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.636 6.633 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.638 5.916 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.705 4.658 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.939 4.492 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.373 7.399 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.332 5.977 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.521 7.212 -3.796 1.00 0.00 H new ATOM 1112 N GLY A 72 -3.003 3.846 -6.853 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.808 2.808 -7.845 1.00 0.00 C ATOM 1114 C GLY A 72 -2.720 1.441 -7.212 1.00 0.00 C ATOM 1115 O GLY A 72 -2.209 0.486 -7.809 1.00 0.00 O ATOM 0 H GLY A 72 -3.973 4.119 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.632 2.827 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.896 3.008 -8.407 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.213 1.346 -6.004 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.239 0.113 -5.278 1.00 0.00 C ATOM 1121 C VAL A 73 -4.519 -0.593 -5.673 1.00 0.00 C ATOM 1122 O VAL A 73 -5.581 -0.272 -5.175 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.239 0.367 -3.746 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.144 -0.926 -2.975 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.131 1.327 -3.338 1.00 0.00 C ATOM 0 H VAL A 73 -3.611 2.135 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.357 -0.483 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.191 0.836 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.146 -0.713 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.996 -1.560 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.221 -1.441 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.162 1.481 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.165 0.907 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.272 2.282 -3.845 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.418 -1.490 -6.620 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.588 -2.138 -7.171 1.00 0.00 C ATOM 1137 C ARG A 74 -5.563 -3.615 -6.902 1.00 0.00 C ATOM 1138 O ARG A 74 -4.685 -4.102 -6.190 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.675 -1.871 -8.665 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.695 -0.404 -9.001 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.770 -0.164 -10.483 1.00 0.00 C ATOM 1142 NE ARG A 74 -7.015 -0.656 -11.074 1.00 0.00 N ATOM 1143 CZ ARG A 74 -7.830 0.092 -11.831 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -7.582 1.397 -12.000 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -8.904 -0.449 -12.391 1.00 0.00 N ATOM 0 H ARG A 74 -3.534 -1.792 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.471 -1.724 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.826 -2.340 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.576 -2.341 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.549 0.067 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.799 0.071 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.677 0.904 -10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.925 -0.652 -10.969 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.278 -1.626 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.771 1.824 -11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.204 1.964 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.112 -1.437 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.522 0.123 -12.966 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.511 -4.332 -7.488 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.650 -5.772 -7.244 1.00 0.00 C ATOM 1161 C ASP A 75 -5.421 -6.515 -7.646 1.00 0.00 C ATOM 1162 O ASP A 75 -4.824 -6.264 -8.702 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.810 -6.412 -7.991 1.00 0.00 C ATOM 1164 CG ASP A 75 -9.159 -5.830 -7.694 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -9.767 -6.199 -6.660 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -9.653 -5.033 -8.515 1.00 0.00 O ATOM 0 H ASP A 75 -7.198 -3.946 -8.136 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.831 -5.844 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.623 -6.327 -9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.831 -7.476 -7.755 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.060 -7.410 -6.824 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.938 -8.298 -7.089 1.00 0.00 C ATOM 1173 C GLY A 76 -2.577 -7.741 -6.704 1.00 0.00 C ATOM 1174 O GLY A 76 -1.566 -8.456 -6.799 1.00 0.00 O ATOM 0 H GLY A 76 -5.520 -7.574 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.098 -9.232 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.928 -8.540 -8.152 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.523 -6.490 -6.275 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.251 -5.909 -5.890 1.00 0.00 C ATOM 1180 C TYR A 77 -0.815 -6.356 -4.519 1.00 0.00 C ATOM 1181 O TYR A 77 -1.645 -6.696 -3.660 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.212 -4.390 -6.045 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.158 -3.935 -7.488 1.00 0.00 C ATOM 1184 CD1 TYR A 77 0.054 -3.870 -8.158 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -2.300 -3.576 -8.178 1.00 0.00 C ATOM 1186 CE1 TYR A 77 0.124 -3.461 -9.468 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -2.240 -3.163 -9.492 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.028 -3.106 -10.130 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.968 -2.692 -11.438 1.00 0.00 O ATOM 0 H TYR A 77 -3.328 -5.870 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.518 -6.296 -6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.094 -3.961 -5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.342 -4.000 -5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.961 -4.146 -7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.257 -3.620 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.077 -3.419 -9.974 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.143 -2.886 -10.016 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.870 -2.480 -11.756 1.00 0.00 H new ATOM 1199 N ARG A 78 0.478 -6.359 -4.311 1.00 0.00 N ATOM 1200 CA ARG A 78 1.040 -6.861 -3.095 1.00 0.00 C ATOM 1201 C ARG A 78 1.502 -5.697 -2.246 1.00 0.00 C ATOM 1202 O ARG A 78 2.309 -4.873 -2.679 1.00 0.00 O ATOM 1203 CB ARG A 78 2.218 -7.767 -3.427 1.00 0.00 C ATOM 1204 CG ARG A 78 1.893 -8.838 -4.458 1.00 0.00 C ATOM 1205 CD ARG A 78 3.095 -9.699 -4.768 1.00 0.00 C ATOM 1206 NE ARG A 78 3.492 -10.522 -3.625 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.710 -11.010 -3.426 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.685 -10.740 -4.285 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.946 -11.776 -2.366 1.00 0.00 N ATOM 0 H ARG A 78 1.164 -6.013 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 78 0.293 -7.433 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.042 -7.157 -3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.564 -8.248 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.082 -9.465 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.538 -8.366 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.869 -10.344 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.929 -9.063 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 78 2.779 -10.737 -2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.499 -10.156 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.620 -11.116 -4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.193 -11.986 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.880 -12.154 -2.208 1.00 0.00 H new ATOM 1223 N ILE A 79 0.974 -5.615 -1.069 1.00 0.00 N ATOM 1224 CA ILE A 79 1.298 -4.565 -0.153 1.00 0.00 C ATOM 1225 C ILE A 79 2.197 -5.118 0.923 1.00 0.00 C ATOM 1226 O ILE A 79 1.864 -6.098 1.589 1.00 0.00 O ATOM 1227 CB ILE A 79 0.024 -3.881 0.477 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.775 -3.049 -0.561 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.404 -2.994 1.642 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -1.362 -3.826 -1.713 1.00 0.00 C ATOM 0 H ILE A 79 0.294 -6.285 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 79 1.812 -3.781 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.616 -4.691 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.585 -2.537 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.118 -2.278 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.493 -2.535 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.895 -3.592 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.085 -2.215 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.898 -3.146 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.561 -4.316 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.052 -4.579 -1.330 1.00 0.00 H new ATOM 1242 N HIS A 80 3.322 -4.519 1.064 1.00 0.00 N ATOM 1243 CA HIS A 80 4.321 -4.941 1.989 1.00 0.00 C ATOM 1244 C HIS A 80 4.549 -3.895 3.061 1.00 0.00 C ATOM 1245 O HIS A 80 4.739 -2.749 2.763 1.00 0.00 O ATOM 1246 CB HIS A 80 5.619 -5.225 1.219 1.00 0.00 C ATOM 1247 CG HIS A 80 6.802 -5.482 2.077 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.051 -6.687 2.679 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.791 -4.650 2.466 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.130 -6.599 3.408 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.615 -5.367 3.298 1.00 0.00 N ATOM 0 H HIS A 80 3.586 -3.695 0.524 1.00 0.00 H new ATOM 0 HA HIS A 80 3.987 -5.849 2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.461 -6.088 0.572 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.834 -4.376 0.570 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.480 -7.526 2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.911 -3.616 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.557 -7.394 4.001 1.00 0.00 H new ATOM 1260 N ALA A 81 4.530 -4.304 4.294 1.00 0.00 N ATOM 1261 CA ALA A 81 4.819 -3.402 5.386 1.00 0.00 C ATOM 1262 C ALA A 81 6.139 -3.803 6.069 1.00 0.00 C ATOM 1263 O ALA A 81 6.433 -5.009 6.225 1.00 0.00 O ATOM 1264 CB ALA A 81 3.656 -3.364 6.364 1.00 0.00 C ATOM 0 H ALA A 81 4.317 -5.260 4.577 1.00 0.00 H new ATOM 0 HA ALA A 81 4.945 -2.392 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.889 -2.680 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.759 -3.021 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.485 -4.363 6.765 1.00 0.00 H new ATOM 1270 N VAL A 82 6.931 -2.819 6.452 1.00 0.00 N ATOM 1271 CA VAL A 82 8.224 -3.052 7.049 1.00 0.00 C ATOM 1272 C VAL A 82 8.484 -2.033 8.170 1.00 0.00 C ATOM 1273 O VAL A 82 8.041 -0.875 8.090 1.00 0.00 O ATOM 1274 CB VAL A 82 9.350 -2.969 5.971 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.472 -1.571 5.379 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.683 -3.469 6.500 1.00 0.00 C ATOM 0 H VAL A 82 6.690 -1.833 6.355 1.00 0.00 H new ATOM 0 HA VAL A 82 8.230 -4.054 7.477 1.00 0.00 H new ATOM 0 HB VAL A 82 9.055 -3.636 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.267 -1.560 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.529 -1.292 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.707 -0.860 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.437 -3.393 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.985 -2.864 7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.585 -4.510 6.809 1.00 0.00 H new ATOM 1286 N ASP A 83 9.179 -2.476 9.197 1.00 0.00 N ATOM 1287 CA ASP A 83 9.495 -1.639 10.356 1.00 0.00 C ATOM 1288 C ASP A 83 10.730 -0.792 10.083 1.00 0.00 C ATOM 1289 O ASP A 83 11.775 -1.296 9.656 1.00 0.00 O ATOM 1290 CB ASP A 83 9.712 -2.505 11.597 1.00 0.00 C ATOM 1291 CG ASP A 83 10.025 -1.693 12.842 1.00 0.00 C ATOM 1292 OD1 ASP A 83 11.200 -1.343 13.054 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.107 -1.432 13.638 1.00 0.00 O ATOM 0 H ASP A 83 9.545 -3.426 9.260 1.00 0.00 H new ATOM 0 HA ASP A 83 8.651 -0.973 10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.819 -3.104 11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.530 -3.201 11.409 1.00 0.00 H new ATOM 1298 N VAL A 84 10.611 0.481 10.330 1.00 0.00 N ATOM 1299 CA VAL A 84 11.673 1.421 10.048 1.00 0.00 C ATOM 1300 C VAL A 84 12.482 1.765 11.300 1.00 0.00 C ATOM 1301 O VAL A 84 13.682 2.074 11.215 1.00 0.00 O ATOM 1302 CB VAL A 84 11.085 2.719 9.433 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.164 3.742 9.096 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.268 2.390 8.206 1.00 0.00 C ATOM 0 H VAL A 84 9.775 0.904 10.734 1.00 0.00 H new ATOM 0 HA VAL A 84 12.348 0.946 9.336 1.00 0.00 H new ATOM 0 HB VAL A 84 10.440 3.172 10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.701 4.632 8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.704 4.014 10.003 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.860 3.313 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.861 3.308 7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.902 1.900 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.451 1.723 8.481 1.00 0.00 H new ATOM 1314 N THR A 85 11.862 1.659 12.459 1.00 0.00 N ATOM 1315 CA THR A 85 12.512 2.100 13.673 1.00 0.00 C ATOM 1316 C THR A 85 13.607 1.123 14.110 1.00 0.00 C ATOM 1317 O THR A 85 14.625 1.525 14.662 1.00 0.00 O ATOM 1318 CB THR A 85 11.490 2.363 14.816 1.00 0.00 C ATOM 1319 OG1 THR A 85 12.137 2.981 15.931 1.00 0.00 O ATOM 1320 CG2 THR A 85 10.818 1.084 15.282 1.00 0.00 C ATOM 0 H THR A 85 10.924 1.278 12.584 1.00 0.00 H new ATOM 0 HA THR A 85 12.994 3.052 13.451 1.00 0.00 H new ATOM 0 HB THR A 85 10.726 3.027 14.412 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.482 3.142 16.642 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.113 1.314 16.081 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.286 0.628 14.447 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.573 0.391 15.653 1.00 0.00 H new ATOM 1328 N GLY A 86 13.413 -0.137 13.825 1.00 0.00 N ATOM 1329 CA GLY A 86 14.410 -1.129 14.151 1.00 0.00 C ATOM 1330 C GLY A 86 15.390 -1.324 13.024 1.00 0.00 C ATOM 1331 O GLY A 86 16.364 -2.066 13.158 1.00 0.00 O ATOM 0 H GLY A 86 12.577 -0.503 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.945 -0.825 15.051 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.921 -2.077 14.376 1.00 0.00 H new ATOM 1335 N GLY A 87 15.145 -0.647 11.921 1.00 0.00 N ATOM 1336 CA GLY A 87 16.004 -0.765 10.777 1.00 0.00 C ATOM 1337 C GLY A 87 15.833 -2.094 10.085 1.00 0.00 C ATOM 1338 O GLY A 87 16.808 -2.733 9.698 1.00 0.00 O ATOM 0 H GLY A 87 14.357 -0.011 11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.788 0.041 10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.042 -0.648 11.088 1.00 0.00 H new ATOM 1342 N ASN A 88 14.597 -2.510 9.940 1.00 0.00 N ATOM 1343 CA ASN A 88 14.297 -3.762 9.279 1.00 0.00 C ATOM 1344 C ASN A 88 14.420 -3.592 7.790 1.00 0.00 C ATOM 1345 O ASN A 88 13.838 -2.656 7.217 1.00 0.00 O ATOM 1346 CB ASN A 88 12.902 -4.276 9.658 1.00 0.00 C ATOM 1347 CG ASN A 88 12.785 -4.714 11.114 1.00 0.00 C ATOM 1348 OD1 ASN A 88 13.486 -4.217 12.000 1.00 0.00 O ATOM 1349 ND2 ASN A 88 11.890 -5.625 11.379 1.00 0.00 N ATOM 0 H ASN A 88 13.779 -1.999 10.272 1.00 0.00 H new ATOM 0 HA ASN A 88 15.017 -4.509 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.170 -3.492 9.464 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.647 -5.117 9.013 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.756 -5.944 12.338 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.325 -6.018 10.627 1.00 0.00 H new ATOM 1356 N GLU A 89 15.220 -4.474 7.167 1.00 0.00 N ATOM 1357 CA GLU A 89 15.502 -4.450 5.716 1.00 0.00 C ATOM 1358 C GLU A 89 16.221 -3.157 5.324 1.00 0.00 C ATOM 1359 O GLU A 89 16.239 -2.755 4.154 1.00 0.00 O ATOM 1360 CB GLU A 89 14.218 -4.630 4.893 1.00 0.00 C ATOM 1361 CG GLU A 89 13.497 -5.946 5.148 1.00 0.00 C ATOM 1362 CD GLU A 89 14.392 -7.143 4.938 1.00 0.00 C ATOM 1363 OE1 GLU A 89 14.897 -7.338 3.818 1.00 0.00 O ATOM 1364 OE2 GLU A 89 14.616 -7.907 5.890 1.00 0.00 O ATOM 0 H GLU A 89 15.695 -5.232 7.658 1.00 0.00 H new ATOM 0 HA GLU A 89 16.160 -5.290 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.539 -3.807 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.466 -4.563 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.115 -5.956 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.635 -6.019 4.485 1.00 0.00 H new ATOM 1371 N ASP A 90 16.835 -2.549 6.304 1.00 0.00 N ATOM 1372 CA ASP A 90 17.534 -1.303 6.143 1.00 0.00 C ATOM 1373 C ASP A 90 19.021 -1.574 6.201 1.00 0.00 C ATOM 1374 O ASP A 90 19.660 -1.643 5.132 1.00 0.00 O ATOM 1375 CB ASP A 90 17.113 -0.340 7.256 1.00 0.00 C ATOM 1376 CG ASP A 90 17.746 1.022 7.156 1.00 0.00 C ATOM 1377 OD1 ASP A 90 17.166 1.903 6.481 1.00 0.00 O ATOM 1378 OD2 ASP A 90 18.786 1.254 7.792 1.00 0.00 O ATOM 0 H ASP A 90 16.863 -2.914 7.256 1.00 0.00 H new ATOM 0 HA ASP A 90 17.291 -0.847 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.029 -0.228 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 90 17.370 -0.779 8.220 1.00 0.00 H new TER 1383 ASP A 90