USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 10 SER OG : rot 133:sc= 0.846 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.291 K(o=1.1,f=-0.4) USER MOD Set 2.1: A 4 CYS SG : rot 16:sc= 0.151 USER MOD Set 2.2: A 6 MET CE :methyl -141:sc= -0.197 (180deg=0) USER MOD Set 2.3: A 20 CYS SG : rot -40:sc= -0.0898 USER MOD Single : A 2 THR OG1 : rot 13:sc= 0.454 USER MOD Single : A 7 TYR OH : rot 140:sc= 0.104 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 70:sc= -0.589 USER MOD Single : A 15 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.094) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -108:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 40 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.67) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00465) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -124:sc= 0.918 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 88 MET CE :methyl -102:sc= -0.196 (180deg=-1.13) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.0399 (180deg=-0.326) USER MOD Single : A 95 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= -0.088 (180deg=-0.462) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.7!) USER MOD Single : A 102 LYS NZ :NH3+ -115:sc= 0.275 (180deg=-0.108) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= -0.0445 (180deg=-0.353) USER MOD Single : A 108 THR OG1 : rot 25:sc= 0.237 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 -0.790 1.142 -2.251 1.00 0.00 N ATOM 19 CA THR A 2 -1.262 1.154 -3.630 1.00 0.00 C ATOM 20 C THR A 2 -0.980 2.496 -4.296 1.00 0.00 C ATOM 21 O THR A 2 -0.987 3.539 -3.641 1.00 0.00 O ATOM 22 CB THR A 2 -2.773 0.862 -3.709 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.148 -0.059 -2.678 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.143 0.288 -5.068 1.00 0.00 C ATOM 0 HA THR A 2 -0.719 0.369 -4.157 1.00 0.00 H new ATOM 0 HB THR A 2 -3.310 1.800 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.417 -0.140 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.214 0.090 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.883 1.003 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.597 -0.641 -5.231 1.00 0.00 H new ATOM 32 N LEU A 3 -0.734 2.463 -5.601 1.00 0.00 N ATOM 33 CA LEU A 3 -0.450 3.678 -6.357 1.00 0.00 C ATOM 34 C LEU A 3 -1.724 4.243 -6.977 1.00 0.00 C ATOM 35 O LEU A 3 -2.264 3.683 -7.931 1.00 0.00 O ATOM 36 CB LEU A 3 0.580 3.392 -7.451 1.00 0.00 C ATOM 37 CG LEU A 3 2.047 3.516 -7.040 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.375 4.950 -6.656 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.361 2.568 -5.891 1.00 0.00 C ATOM 0 H LEU A 3 -0.725 1.608 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.043 4.419 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.412 2.382 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.397 4.074 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 3 2.668 3.240 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.424 5.018 -6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.190 5.606 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.747 5.255 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.410 2.670 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.732 2.813 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.167 1.542 -6.203 1.00 0.00 H new ATOM 51 N CYS A 4 -2.198 5.357 -6.429 1.00 0.00 N ATOM 52 CA CYS A 4 -3.408 6.000 -6.930 1.00 0.00 C ATOM 53 C CYS A 4 -3.077 7.323 -7.613 1.00 0.00 C ATOM 54 O CYS A 4 -2.168 8.040 -7.195 1.00 0.00 O ATOM 55 CB CYS A 4 -4.395 6.236 -5.786 1.00 0.00 C ATOM 56 SG CYS A 4 -3.885 7.524 -4.624 1.00 0.00 S ATOM 0 H CYS A 4 -1.763 5.833 -5.639 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.865 5.337 -7.664 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.364 6.504 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.532 5.303 -5.240 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.946 8.245 -5.160 1.00 0.00 H new ATOM 62 N ALA A 5 -3.821 7.640 -8.668 1.00 0.00 N ATOM 63 CA ALA A 5 -3.608 8.877 -9.409 1.00 0.00 C ATOM 64 C ALA A 5 -4.800 9.817 -9.263 1.00 0.00 C ATOM 65 O ALA A 5 -5.935 9.374 -9.095 1.00 0.00 O ATOM 66 CB ALA A 5 -3.350 8.574 -10.878 1.00 0.00 C ATOM 0 H ALA A 5 -4.576 7.057 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.733 9.375 -8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.193 9.507 -11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.463 7.947 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.209 8.051 -11.298 1.00 0.00 H new ATOM 72 N MET A 6 -4.533 11.118 -9.327 1.00 0.00 N ATOM 73 CA MET A 6 -5.584 12.120 -9.202 1.00 0.00 C ATOM 74 C MET A 6 -5.797 12.852 -10.523 1.00 0.00 C ATOM 75 O MET A 6 -4.922 13.582 -10.987 1.00 0.00 O ATOM 76 CB MET A 6 -5.234 13.123 -8.101 1.00 0.00 C ATOM 77 CG MET A 6 -5.758 12.728 -6.730 1.00 0.00 C ATOM 78 SD MET A 6 -5.019 11.202 -6.116 1.00 0.00 S ATOM 79 CE MET A 6 -6.451 10.393 -5.407 1.00 0.00 C ATOM 0 H MET A 6 -3.598 11.502 -9.465 1.00 0.00 H new ATOM 0 HA MET A 6 -6.509 11.608 -8.937 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.151 13.230 -8.050 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.639 14.099 -8.368 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.558 13.534 -6.023 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.840 12.608 -6.780 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.166 9.896 -4.480 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.222 11.135 -5.199 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.837 9.655 -6.110 1.00 0.00 H new ATOM 89 N TYR A 7 -6.965 12.651 -11.123 1.00 0.00 N ATOM 90 CA TYR A 7 -7.292 13.290 -12.392 1.00 0.00 C ATOM 91 C TYR A 7 -8.326 14.395 -12.196 1.00 0.00 C ATOM 92 O TYR A 7 -9.504 14.125 -11.971 1.00 0.00 O ATOM 93 CB TYR A 7 -7.818 12.255 -13.388 1.00 0.00 C ATOM 94 CG TYR A 7 -7.597 12.638 -14.834 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.129 13.813 -15.351 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.857 11.825 -15.683 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.930 14.167 -16.671 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.651 12.172 -17.004 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.190 13.343 -17.494 1.00 0.00 C ATOM 100 OH TYR A 7 -6.989 13.691 -18.810 1.00 0.00 O ATOM 0 H TYR A 7 -7.701 12.051 -10.751 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.381 13.737 -12.790 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.332 11.299 -13.196 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.885 12.110 -13.219 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.708 14.461 -14.709 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.435 10.906 -15.304 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.351 15.084 -17.057 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.071 11.530 -17.650 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.068 13.477 -19.068 1.00 0.00 H new ATOM 110 N ASN A 8 -7.873 15.642 -12.284 1.00 0.00 N ATOM 111 CA ASN A 8 -8.758 16.789 -12.116 1.00 0.00 C ATOM 112 C ASN A 8 -9.307 17.254 -13.462 1.00 0.00 C ATOM 113 O ASN A 8 -8.587 17.850 -14.264 1.00 0.00 O ATOM 114 CB ASN A 8 -8.013 17.938 -11.432 1.00 0.00 C ATOM 115 CG ASN A 8 -8.838 19.210 -11.377 1.00 0.00 C ATOM 116 OD1 ASN A 8 -8.433 20.248 -11.901 1.00 0.00 O ATOM 117 ND2 ASN A 8 -10.000 19.134 -10.740 1.00 0.00 N ATOM 0 H ASN A 8 -6.900 15.883 -12.470 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.595 16.482 -11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.742 17.640 -10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.083 18.134 -11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.598 19.957 -10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.295 18.252 -10.321 1.00 0.00 H new ATOM 124 N ILE A 9 -10.584 16.979 -13.700 1.00 0.00 N ATOM 125 CA ILE A 9 -11.230 17.370 -14.947 1.00 0.00 C ATOM 126 C ILE A 9 -12.384 18.333 -14.690 1.00 0.00 C ATOM 127 O ILE A 9 -13.231 18.087 -13.831 1.00 0.00 O ATOM 128 CB ILE A 9 -11.759 16.145 -15.716 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.321 16.572 -17.074 1.00 0.00 C ATOM 130 CG2 ILE A 9 -12.821 15.425 -14.899 1.00 0.00 C ATOM 131 CD1 ILE A 9 -12.872 15.422 -17.888 1.00 0.00 C ATOM 0 H ILE A 9 -11.193 16.487 -13.046 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.472 17.868 -15.552 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.932 15.456 -15.887 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.111 17.307 -16.917 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.535 17.067 -17.644 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.185 14.562 -15.456 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.390 15.092 -13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.650 16.104 -14.700 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.253 15.798 -18.837 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.080 14.697 -18.076 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.680 14.941 -17.337 1.00 0.00 H new ATOM 143 N SER A 10 -12.413 19.428 -15.442 1.00 0.00 N ATOM 144 CA SER A 10 -13.463 20.429 -15.295 1.00 0.00 C ATOM 145 C SER A 10 -14.005 20.852 -16.657 1.00 0.00 C ATOM 146 O SER A 10 -13.358 21.599 -17.390 1.00 0.00 O ATOM 147 CB SER A 10 -12.930 21.651 -14.544 1.00 0.00 C ATOM 148 OG SER A 10 -11.947 21.277 -13.594 1.00 0.00 O ATOM 0 H SER A 10 -11.721 19.645 -16.160 1.00 0.00 H new ATOM 0 HA SER A 10 -14.277 19.985 -14.722 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.503 22.360 -15.253 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.752 22.159 -14.040 1.00 0.00 H new ATOM 0 HG SER A 10 -11.172 21.872 -13.674 1.00 0.00 H new ATOM 154 N MET A 11 -15.198 20.369 -16.987 1.00 0.00 N ATOM 155 CA MET A 11 -15.829 20.697 -18.260 1.00 0.00 C ATOM 156 C MET A 11 -15.862 22.206 -18.478 1.00 0.00 C ATOM 157 O MET A 11 -15.568 22.980 -17.567 1.00 0.00 O ATOM 158 CB MET A 11 -17.251 20.133 -18.310 1.00 0.00 C ATOM 159 CG MET A 11 -17.698 19.735 -19.707 1.00 0.00 C ATOM 160 SD MET A 11 -19.028 18.518 -19.690 1.00 0.00 S ATOM 161 CE MET A 11 -20.145 19.220 -20.902 1.00 0.00 C ATOM 0 H MET A 11 -15.747 19.749 -16.391 1.00 0.00 H new ATOM 0 HA MET A 11 -15.238 20.245 -19.056 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.311 19.263 -17.656 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.942 20.877 -17.914 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.030 20.623 -20.245 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.847 19.330 -20.255 1.00 0.00 H new ATOM 0 HE1 MET A 11 -21.020 18.579 -21.004 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.458 20.212 -20.577 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.637 19.297 -21.863 1.00 0.00 H new ATOM 171 N ALA A 12 -16.219 22.618 -19.690 1.00 0.00 N ATOM 172 CA ALA A 12 -16.291 24.034 -20.026 1.00 0.00 C ATOM 173 C ALA A 12 -17.316 24.753 -19.156 1.00 0.00 C ATOM 174 O ALA A 12 -18.520 24.657 -19.389 1.00 0.00 O ATOM 175 CB ALA A 12 -16.629 24.211 -21.499 1.00 0.00 C ATOM 0 H ALA A 12 -16.463 21.990 -20.456 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.314 24.478 -19.833 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.679 25.274 -21.736 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.858 23.740 -22.108 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.592 23.746 -21.710 1.00 0.00 H new ATOM 181 N GLY A 13 -16.830 25.475 -18.150 1.00 0.00 N ATOM 182 CA GLY A 13 -17.717 26.199 -17.260 1.00 0.00 C ATOM 183 C GLY A 13 -18.749 25.298 -16.611 1.00 0.00 C ATOM 184 O GLY A 13 -19.952 25.513 -16.758 1.00 0.00 O ATOM 0 H GLY A 13 -15.837 25.571 -17.936 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.128 26.689 -16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.225 26.985 -17.819 1.00 0.00 H new ATOM 188 N SER A 14 -18.278 24.285 -15.891 1.00 0.00 N ATOM 189 CA SER A 14 -19.169 23.344 -15.221 1.00 0.00 C ATOM 190 C SER A 14 -18.821 23.227 -13.740 1.00 0.00 C ATOM 191 O SER A 14 -19.480 23.821 -12.887 1.00 0.00 O ATOM 192 CB SER A 14 -19.086 21.969 -15.887 1.00 0.00 C ATOM 193 OG SER A 14 -19.798 21.952 -17.112 1.00 0.00 O ATOM 0 H SER A 14 -17.285 24.095 -15.756 1.00 0.00 H new ATOM 0 HA SER A 14 -20.188 23.721 -15.308 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.042 21.710 -16.066 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.492 21.212 -15.216 1.00 0.00 H new ATOM 0 HG SER A 14 -19.325 22.499 -17.773 1.00 0.00 H new ATOM 199 N HIS A 15 -17.780 22.456 -13.443 1.00 0.00 N ATOM 200 CA HIS A 15 -17.343 22.260 -12.065 1.00 0.00 C ATOM 201 C HIS A 15 -16.175 21.280 -12.000 1.00 0.00 C ATOM 202 O HIS A 15 -15.980 20.449 -12.887 1.00 0.00 O ATOM 203 CB HIS A 15 -18.501 21.749 -11.208 1.00 0.00 C ATOM 204 CG HIS A 15 -19.294 20.659 -11.861 1.00 0.00 C ATOM 205 ND1 HIS A 15 -20.642 20.766 -12.130 1.00 0.00 N ATOM 206 CD2 HIS A 15 -18.920 19.434 -12.301 1.00 0.00 C ATOM 207 CE1 HIS A 15 -21.064 19.655 -12.705 1.00 0.00 C ATOM 208 NE2 HIS A 15 -20.039 18.830 -12.821 1.00 0.00 N ATOM 0 H HIS A 15 -17.224 21.957 -14.137 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.010 23.222 -11.675 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.107 21.382 -10.260 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -19.165 22.581 -10.976 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -17.927 19.011 -12.252 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -22.076 19.455 -13.026 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.073 17.896 -13.230 1.00 0.00 H new ATOM 216 N PRO A 16 -15.379 21.378 -10.925 1.00 0.00 N ATOM 217 CA PRO A 16 -14.217 20.508 -10.719 1.00 0.00 C ATOM 218 C PRO A 16 -14.617 19.069 -10.413 1.00 0.00 C ATOM 219 O PRO A 16 -15.402 18.812 -9.500 1.00 0.00 O ATOM 220 CB PRO A 16 -13.514 21.136 -9.512 1.00 0.00 C ATOM 221 CG PRO A 16 -14.592 21.857 -8.779 1.00 0.00 C ATOM 222 CD PRO A 16 -15.552 22.345 -9.828 1.00 0.00 C ATOM 0 HA PRO A 16 -13.592 20.445 -11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.049 20.375 -8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.723 21.818 -9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.091 21.196 -8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.184 22.690 -8.206 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.578 22.356 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.317 23.361 -10.147 1.00 0.00 H new ATOM 230 N THR A 17 -14.071 18.132 -11.182 1.00 0.00 N ATOM 231 CA THR A 17 -14.372 16.718 -10.993 1.00 0.00 C ATOM 232 C THR A 17 -13.104 15.919 -10.717 1.00 0.00 C ATOM 233 O THR A 17 -12.290 15.694 -11.614 1.00 0.00 O ATOM 234 CB THR A 17 -15.080 16.125 -12.226 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.340 16.776 -12.427 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.297 14.629 -12.058 1.00 0.00 C ATOM 0 H THR A 17 -13.418 18.327 -11.941 1.00 0.00 H new ATOM 0 HA THR A 17 -15.037 16.648 -10.132 1.00 0.00 H new ATOM 0 HB THR A 17 -14.444 16.288 -13.096 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.783 16.395 -13.214 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.798 14.233 -12.941 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.334 14.133 -11.934 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.914 14.447 -11.178 1.00 0.00 H new ATOM 244 N THR A 18 -12.940 15.489 -9.469 1.00 0.00 N ATOM 245 CA THR A 18 -11.771 14.715 -9.074 1.00 0.00 C ATOM 246 C THR A 18 -11.971 13.231 -9.362 1.00 0.00 C ATOM 247 O THR A 18 -12.727 12.551 -8.669 1.00 0.00 O ATOM 248 CB THR A 18 -11.455 14.897 -7.578 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.880 16.193 -7.142 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.966 14.731 -7.315 1.00 0.00 C ATOM 0 H THR A 18 -13.604 15.665 -8.715 1.00 0.00 H new ATOM 0 HA THR A 18 -10.933 15.087 -9.663 1.00 0.00 H new ATOM 0 HB THR A 18 -11.994 14.131 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.677 16.300 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.767 14.864 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.652 13.733 -7.621 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.411 15.477 -7.884 1.00 0.00 H new ATOM 258 N ILE A 19 -11.288 12.736 -10.389 1.00 0.00 N ATOM 259 CA ILE A 19 -11.390 11.332 -10.767 1.00 0.00 C ATOM 260 C ILE A 19 -10.139 10.560 -10.360 1.00 0.00 C ATOM 261 O ILE A 19 -9.082 10.704 -10.975 1.00 0.00 O ATOM 262 CB ILE A 19 -11.609 11.171 -12.283 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.673 12.155 -12.774 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.010 9.741 -12.612 1.00 0.00 C ATOM 265 CD1 ILE A 19 -12.938 12.066 -14.261 1.00 0.00 C ATOM 0 H ILE A 19 -10.659 13.286 -10.974 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.252 10.925 -10.239 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.673 11.392 -12.796 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.603 11.971 -12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.359 13.170 -12.529 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.161 9.644 -13.687 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.221 9.059 -12.293 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.935 9.494 -12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.703 12.792 -14.538 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.020 12.280 -14.808 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.283 11.062 -14.510 1.00 0.00 H new ATOM 277 N CYS A 20 -10.268 9.741 -9.323 1.00 0.00 N ATOM 278 CA CYS A 20 -9.147 8.945 -8.834 1.00 0.00 C ATOM 279 C CYS A 20 -9.022 7.643 -9.619 1.00 0.00 C ATOM 280 O CYS A 20 -9.981 6.880 -9.732 1.00 0.00 O ATOM 281 CB CYS A 20 -9.320 8.643 -7.345 1.00 0.00 C ATOM 282 SG CYS A 20 -9.733 10.089 -6.341 1.00 0.00 S ATOM 0 H CYS A 20 -11.137 9.610 -8.804 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.234 9.523 -8.976 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.104 7.895 -7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.398 8.202 -6.965 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.043 11.112 -6.750 1.00 0.00 H new ATOM 288 N VAL A 21 -7.833 7.396 -10.160 1.00 0.00 N ATOM 289 CA VAL A 21 -7.582 6.187 -10.935 1.00 0.00 C ATOM 290 C VAL A 21 -6.203 5.614 -10.629 1.00 0.00 C ATOM 291 O VAL A 21 -5.202 6.330 -10.657 1.00 0.00 O ATOM 292 CB VAL A 21 -7.690 6.457 -12.447 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.614 5.154 -13.229 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.976 7.204 -12.764 1.00 0.00 C ATOM 0 H VAL A 21 -7.029 8.017 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.345 5.463 -10.648 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.850 7.083 -12.748 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.692 5.365 -14.296 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.663 4.662 -13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.433 4.500 -12.927 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.036 7.386 -13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.831 6.606 -12.449 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.984 8.156 -12.233 1.00 0.00 H new ATOM 304 N VAL A 22 -6.157 4.318 -10.337 1.00 0.00 N ATOM 305 CA VAL A 22 -4.900 3.648 -10.027 1.00 0.00 C ATOM 306 C VAL A 22 -3.912 3.772 -11.181 1.00 0.00 C ATOM 307 O VAL A 22 -4.308 3.891 -12.340 1.00 0.00 O ATOM 308 CB VAL A 22 -5.122 2.156 -9.713 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.911 1.993 -8.423 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.829 1.468 -10.871 1.00 0.00 C ATOM 0 H VAL A 22 -6.976 3.711 -10.309 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.488 4.140 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.150 1.682 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.058 0.933 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.361 2.449 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.881 2.480 -8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.978 0.415 -10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.796 1.942 -11.040 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.221 1.554 -11.771 1.00 0.00 H new ATOM 320 N MET A 23 -2.624 3.744 -10.856 1.00 0.00 N ATOM 321 CA MET A 23 -1.578 3.852 -11.866 1.00 0.00 C ATOM 322 C MET A 23 -1.752 2.787 -12.944 1.00 0.00 C ATOM 323 O MET A 23 -1.451 3.020 -14.115 1.00 0.00 O ATOM 324 CB MET A 23 -0.198 3.718 -11.219 1.00 0.00 C ATOM 325 CG MET A 23 0.951 3.872 -12.202 1.00 0.00 C ATOM 326 SD MET A 23 2.398 2.901 -11.737 1.00 0.00 S ATOM 327 CE MET A 23 2.000 1.322 -12.484 1.00 0.00 C ATOM 0 H MET A 23 -2.279 3.647 -9.901 1.00 0.00 H new ATOM 0 HA MET A 23 -1.658 4.834 -12.333 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.098 4.469 -10.436 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.125 2.743 -10.737 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.618 3.568 -13.194 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.230 4.924 -12.267 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.802 0.612 -12.284 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.068 0.945 -12.063 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.887 1.447 -13.561 1.00 0.00 H new ATOM 337 N ASP A 24 -2.240 1.618 -12.542 1.00 0.00 N ATOM 338 CA ASP A 24 -2.455 0.518 -13.474 1.00 0.00 C ATOM 339 C ASP A 24 -3.534 0.871 -14.493 1.00 0.00 C ATOM 340 O ASP A 24 -3.569 0.317 -15.592 1.00 0.00 O ATOM 341 CB ASP A 24 -2.847 -0.751 -12.716 1.00 0.00 C ATOM 342 CG ASP A 24 -1.670 -1.387 -12.003 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.545 -1.325 -12.542 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.874 -1.947 -10.906 1.00 0.00 O ATOM 0 H ASP A 24 -2.494 1.408 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.522 0.339 -14.008 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.622 -0.511 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.276 -1.470 -13.414 1.00 0.00 H new ATOM 349 N ARG A 25 -4.413 1.796 -14.120 1.00 0.00 N ATOM 350 CA ARG A 25 -5.494 2.221 -15.000 1.00 0.00 C ATOM 351 C ARG A 25 -5.316 3.679 -15.415 1.00 0.00 C ATOM 352 O ARG A 25 -6.265 4.331 -15.852 1.00 0.00 O ATOM 353 CB ARG A 25 -6.846 2.038 -14.307 1.00 0.00 C ATOM 354 CG ARG A 25 -7.268 0.585 -14.169 1.00 0.00 C ATOM 355 CD ARG A 25 -8.726 0.465 -13.755 1.00 0.00 C ATOM 356 NE ARG A 25 -9.309 -0.810 -14.165 1.00 0.00 N ATOM 357 CZ ARG A 25 -9.068 -1.961 -13.548 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.259 -1.997 -12.498 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.635 -3.079 -13.981 1.00 0.00 N ATOM 0 H ARG A 25 -4.397 2.265 -13.214 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.465 1.600 -15.896 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.801 2.490 -13.316 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.609 2.577 -14.869 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.114 0.069 -15.117 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.637 0.090 -13.430 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.805 0.568 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.296 1.283 -14.196 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.936 -0.817 -14.970 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.820 -1.139 -12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.075 -2.882 -12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.257 -3.056 -14.789 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.449 -3.962 -13.506 1.00 0.00 H new ATOM 373 N PHE A 26 -4.095 4.183 -15.274 1.00 0.00 N ATOM 374 CA PHE A 26 -3.793 5.564 -15.632 1.00 0.00 C ATOM 375 C PHE A 26 -4.001 5.796 -17.126 1.00 0.00 C ATOM 376 O PHE A 26 -4.762 6.677 -17.529 1.00 0.00 O ATOM 377 CB PHE A 26 -2.353 5.910 -15.246 1.00 0.00 C ATOM 378 CG PHE A 26 -2.180 7.329 -14.785 1.00 0.00 C ATOM 379 CD1 PHE A 26 -2.806 8.369 -15.452 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.393 7.622 -13.683 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.648 9.676 -15.030 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.232 8.927 -13.256 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.861 9.955 -13.929 1.00 0.00 C ATOM 0 H PHE A 26 -3.299 3.656 -14.915 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.475 6.213 -15.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.026 5.237 -14.454 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.703 5.733 -16.103 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.425 8.157 -16.311 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.900 6.822 -13.151 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.139 10.478 -15.560 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.614 9.142 -12.396 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.738 10.975 -13.596 1.00 0.00 H new ATOM 393 N LEU A 27 -3.318 5.001 -17.943 1.00 0.00 N ATOM 394 CA LEU A 27 -3.427 5.119 -19.392 1.00 0.00 C ATOM 395 C LEU A 27 -4.876 4.968 -19.844 1.00 0.00 C ATOM 396 O LEU A 27 -5.372 5.762 -20.643 1.00 0.00 O ATOM 397 CB LEU A 27 -2.555 4.064 -20.076 1.00 0.00 C ATOM 398 CG LEU A 27 -2.426 4.182 -21.595 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.016 5.593 -21.988 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.425 3.166 -22.126 1.00 0.00 C ATOM 0 H LEU A 27 -2.683 4.268 -17.626 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.079 6.111 -19.678 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.556 4.110 -19.642 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.959 3.079 -19.841 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.398 3.971 -22.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.929 5.658 -23.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.769 6.301 -21.641 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.055 5.833 -21.532 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.346 3.265 -23.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.450 3.345 -21.673 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.761 2.160 -21.877 1.00 0.00 H new ATOM 412 N GLU A 28 -5.549 3.946 -19.326 1.00 0.00 N ATOM 413 CA GLU A 28 -6.942 3.693 -19.676 1.00 0.00 C ATOM 414 C GLU A 28 -7.811 4.906 -19.358 1.00 0.00 C ATOM 415 O GLU A 28 -8.644 5.315 -20.166 1.00 0.00 O ATOM 416 CB GLU A 28 -7.464 2.466 -18.926 1.00 0.00 C ATOM 417 CG GLU A 28 -8.730 1.879 -19.527 1.00 0.00 C ATOM 418 CD GLU A 28 -8.936 0.425 -19.148 1.00 0.00 C ATOM 419 OE1 GLU A 28 -9.396 0.167 -18.016 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.637 -0.454 -19.983 1.00 0.00 O ATOM 0 H GLU A 28 -5.153 3.280 -18.663 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.993 3.503 -20.748 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.688 1.700 -18.915 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.657 2.740 -17.889 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.589 2.462 -19.196 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.686 1.965 -20.613 1.00 0.00 H new ATOM 427 N SER A 29 -7.611 5.476 -18.173 1.00 0.00 N ATOM 428 CA SER A 29 -8.380 6.639 -17.746 1.00 0.00 C ATOM 429 C SER A 29 -8.184 7.804 -18.711 1.00 0.00 C ATOM 430 O SER A 29 -9.150 8.414 -19.169 1.00 0.00 O ATOM 431 CB SER A 29 -7.967 7.057 -16.333 1.00 0.00 C ATOM 432 OG SER A 29 -8.258 8.425 -16.101 1.00 0.00 O ATOM 0 H SER A 29 -6.924 5.151 -17.493 1.00 0.00 H new ATOM 0 HA SER A 29 -9.435 6.366 -17.744 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.489 6.441 -15.601 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.900 6.880 -16.195 1.00 0.00 H new ATOM 0 HG SER A 29 -7.423 8.938 -16.083 1.00 0.00 H new ATOM 438 N PHE A 30 -6.927 8.108 -19.015 1.00 0.00 N ATOM 439 CA PHE A 30 -6.602 9.200 -19.925 1.00 0.00 C ATOM 440 C PHE A 30 -7.204 8.955 -21.306 1.00 0.00 C ATOM 441 O PHE A 30 -7.739 9.869 -21.933 1.00 0.00 O ATOM 442 CB PHE A 30 -5.085 9.364 -20.038 1.00 0.00 C ATOM 443 CG PHE A 30 -4.649 10.789 -20.229 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.891 11.448 -21.423 1.00 0.00 C ATOM 445 CD2 PHE A 30 -3.996 11.469 -19.214 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.492 12.759 -21.602 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.594 12.780 -19.386 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.841 13.425 -20.582 1.00 0.00 C ATOM 0 H PHE A 30 -6.116 7.613 -18.644 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.030 10.117 -19.520 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.616 8.967 -19.138 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.724 8.767 -20.875 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.398 10.931 -22.224 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.799 10.969 -18.277 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.689 13.262 -22.537 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.087 13.300 -18.586 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.526 14.449 -20.720 1.00 0.00 H new ATOM 458 N SER A 31 -7.110 7.714 -21.773 1.00 0.00 N ATOM 459 CA SER A 31 -7.641 7.348 -23.081 1.00 0.00 C ATOM 460 C SER A 31 -9.136 7.640 -23.162 1.00 0.00 C ATOM 461 O SER A 31 -9.596 8.327 -24.073 1.00 0.00 O ATOM 462 CB SER A 31 -7.383 5.867 -23.363 1.00 0.00 C ATOM 463 OG SER A 31 -8.340 5.346 -24.269 1.00 0.00 O ATOM 0 H SER A 31 -6.671 6.946 -21.265 1.00 0.00 H new ATOM 0 HA SER A 31 -7.130 7.948 -23.834 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.382 5.741 -23.775 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.417 5.305 -22.430 1.00 0.00 H new ATOM 0 HG SER A 31 -8.152 4.398 -24.434 1.00 0.00 H new ATOM 469 N GLU A 32 -9.889 7.112 -22.202 1.00 0.00 N ATOM 470 CA GLU A 32 -11.332 7.315 -22.165 1.00 0.00 C ATOM 471 C GLU A 32 -11.669 8.792 -21.981 1.00 0.00 C ATOM 472 O GLU A 32 -12.671 9.281 -22.505 1.00 0.00 O ATOM 473 CB GLU A 32 -11.956 6.493 -21.036 1.00 0.00 C ATOM 474 CG GLU A 32 -13.443 6.237 -21.219 1.00 0.00 C ATOM 475 CD GLU A 32 -13.724 4.969 -22.003 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.988 3.979 -21.812 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.679 4.968 -22.807 1.00 0.00 O ATOM 0 H GLU A 32 -9.524 6.541 -21.440 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.745 6.982 -23.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.437 5.537 -20.965 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.799 7.012 -20.090 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.919 6.168 -20.241 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.893 7.086 -21.734 1.00 0.00 H new ATOM 484 N LEU A 33 -10.827 9.495 -21.233 1.00 0.00 N ATOM 485 CA LEU A 33 -11.035 10.917 -20.978 1.00 0.00 C ATOM 486 C LEU A 33 -10.968 11.718 -22.275 1.00 0.00 C ATOM 487 O LEU A 33 -11.808 12.582 -22.526 1.00 0.00 O ATOM 488 CB LEU A 33 -9.989 11.436 -19.990 1.00 0.00 C ATOM 489 CG LEU A 33 -10.402 12.645 -19.149 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.690 13.842 -20.041 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.615 12.310 -18.294 1.00 0.00 C ATOM 0 H LEU A 33 -9.994 9.105 -20.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.028 11.042 -20.546 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.721 10.623 -19.315 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.089 11.697 -20.548 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.576 12.902 -18.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.982 14.693 -19.425 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.795 14.096 -20.609 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.499 13.597 -20.729 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.895 13.182 -17.702 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.447 12.026 -18.938 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.373 11.482 -17.628 1.00 0.00 H new ATOM 503 N TYR A 34 -9.965 11.424 -23.095 1.00 0.00 N ATOM 504 CA TYR A 34 -9.789 12.116 -24.365 1.00 0.00 C ATOM 505 C TYR A 34 -11.022 11.955 -25.250 1.00 0.00 C ATOM 506 O TYR A 34 -11.259 12.754 -26.156 1.00 0.00 O ATOM 507 CB TYR A 34 -8.553 11.585 -25.093 1.00 0.00 C ATOM 508 CG TYR A 34 -8.427 12.081 -26.515 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.307 13.438 -26.790 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.430 11.194 -27.585 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.192 13.897 -28.088 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.314 11.644 -28.886 1.00 0.00 C ATOM 513 CZ TYR A 34 -8.196 12.996 -29.132 1.00 0.00 C ATOM 514 OH TYR A 34 -8.082 13.448 -30.427 1.00 0.00 O ATOM 0 H TYR A 34 -9.262 10.711 -22.902 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.651 13.177 -24.154 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.662 11.874 -24.536 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.586 10.496 -25.099 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.304 14.146 -25.975 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.525 10.135 -27.396 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.100 14.955 -28.284 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.316 10.941 -29.706 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.101 12.686 -31.042 1.00 0.00 H new ATOM 524 N ASP A 35 -11.804 10.916 -24.979 1.00 0.00 N ATOM 525 CA ASP A 35 -13.014 10.649 -25.748 1.00 0.00 C ATOM 526 C ASP A 35 -14.205 11.405 -25.166 1.00 0.00 C ATOM 527 O ASP A 35 -14.799 12.254 -25.833 1.00 0.00 O ATOM 528 CB ASP A 35 -13.309 9.149 -25.770 1.00 0.00 C ATOM 529 CG ASP A 35 -12.845 8.487 -27.053 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.815 8.924 -27.608 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.512 7.532 -27.502 1.00 0.00 O ATOM 0 H ASP A 35 -11.622 10.245 -24.233 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.850 10.994 -26.769 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.819 8.673 -24.921 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.381 8.990 -25.650 1.00 0.00 H new ATOM 536 N ILE A 36 -14.548 11.091 -23.922 1.00 0.00 N ATOM 537 CA ILE A 36 -15.668 11.741 -23.252 1.00 0.00 C ATOM 538 C ILE A 36 -15.512 13.258 -23.266 1.00 0.00 C ATOM 539 O ILE A 36 -16.491 13.992 -23.403 1.00 0.00 O ATOM 540 CB ILE A 36 -15.805 11.264 -21.794 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.989 11.957 -21.117 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.519 11.531 -21.026 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.240 11.482 -19.703 1.00 0.00 C ATOM 0 H ILE A 36 -14.067 10.391 -23.357 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.568 11.466 -23.802 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.989 10.190 -21.795 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.811 13.032 -21.104 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.886 11.789 -21.713 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.632 11.188 -19.997 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.695 10.996 -21.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.307 12.600 -21.031 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.094 12.016 -19.286 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.450 10.412 -19.710 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.358 11.675 -19.092 1.00 0.00 H new ATOM 555 N ILE A 37 -14.274 13.721 -23.126 1.00 0.00 N ATOM 556 CA ILE A 37 -13.989 15.151 -23.126 1.00 0.00 C ATOM 557 C ILE A 37 -14.385 15.790 -24.453 1.00 0.00 C ATOM 558 O ILE A 37 -14.720 16.973 -24.508 1.00 0.00 O ATOM 559 CB ILE A 37 -12.498 15.428 -22.859 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.284 16.905 -22.522 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.661 15.028 -24.065 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.390 17.208 -21.044 1.00 0.00 C ATOM 0 H ILE A 37 -13.453 13.127 -23.011 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.580 15.591 -22.323 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.179 14.830 -22.005 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.301 17.212 -22.878 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.019 17.503 -23.061 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.609 15.230 -23.861 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.795 13.965 -24.264 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.979 15.603 -24.935 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.227 18.273 -20.878 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.382 16.932 -20.686 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.637 16.637 -20.501 1.00 0.00 H new ATOM 574 N ASP A 38 -14.344 14.999 -25.519 1.00 0.00 N ATOM 575 CA ASP A 38 -14.701 15.487 -26.847 1.00 0.00 C ATOM 576 C ASP A 38 -16.201 15.746 -26.945 1.00 0.00 C ATOM 577 O ASP A 38 -16.634 16.696 -27.597 1.00 0.00 O ATOM 578 CB ASP A 38 -14.274 14.479 -27.915 1.00 0.00 C ATOM 579 CG ASP A 38 -14.107 15.118 -29.280 1.00 0.00 C ATOM 580 OD1 ASP A 38 -15.123 15.555 -29.858 1.00 0.00 O ATOM 581 OD2 ASP A 38 -12.959 15.181 -29.769 1.00 0.00 O ATOM 0 H ASP A 38 -14.067 14.018 -25.490 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.176 16.427 -27.015 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.334 14.014 -27.617 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.017 13.684 -27.978 1.00 0.00 H new ATOM 586 N GLU A 39 -16.988 14.896 -26.294 1.00 0.00 N ATOM 587 CA GLU A 39 -18.439 15.033 -26.311 1.00 0.00 C ATOM 588 C GLU A 39 -18.928 15.795 -25.082 1.00 0.00 C ATOM 589 O GLU A 39 -18.234 15.870 -24.069 1.00 0.00 O ATOM 590 CB GLU A 39 -19.104 13.656 -26.367 1.00 0.00 C ATOM 591 CG GLU A 39 -18.720 12.845 -27.593 1.00 0.00 C ATOM 592 CD GLU A 39 -18.883 11.352 -27.380 1.00 0.00 C ATOM 593 OE1 GLU A 39 -17.916 10.710 -26.920 1.00 0.00 O ATOM 594 OE2 GLU A 39 -19.977 10.827 -27.674 1.00 0.00 O ATOM 0 H GLU A 39 -16.645 14.105 -25.748 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.714 15.598 -27.202 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.835 13.095 -25.472 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.186 13.783 -26.350 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.335 13.157 -28.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.684 13.060 -27.856 1.00 0.00 H new ATOM 601 N ASN A 40 -20.127 16.360 -25.182 1.00 0.00 N ATOM 602 CA ASN A 40 -20.708 17.118 -24.080 1.00 0.00 C ATOM 603 C ASN A 40 -21.770 16.296 -23.355 1.00 0.00 C ATOM 604 O ASN A 40 -22.876 16.774 -23.105 1.00 0.00 O ATOM 605 CB ASN A 40 -21.322 18.421 -24.597 1.00 0.00 C ATOM 606 CG ASN A 40 -22.147 18.213 -25.852 1.00 0.00 C ATOM 607 OD1 ASN A 40 -21.610 18.141 -26.958 1.00 0.00 O ATOM 608 ND2 ASN A 40 -23.461 18.115 -25.687 1.00 0.00 N ATOM 0 H ASN A 40 -20.715 16.307 -26.014 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.911 17.354 -23.375 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.951 18.857 -23.820 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.527 19.138 -24.803 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -24.067 17.974 -26.495 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -23.864 18.180 -24.752 1.00 0.00 H new ATOM 615 N ASP A 41 -21.424 15.058 -23.019 1.00 0.00 N ATOM 616 CA ASP A 41 -22.346 14.170 -22.321 1.00 0.00 C ATOM 617 C ASP A 41 -22.234 14.349 -20.810 1.00 0.00 C ATOM 618 O ASP A 41 -21.254 13.928 -20.194 1.00 0.00 O ATOM 619 CB ASP A 41 -22.067 12.714 -22.696 1.00 0.00 C ATOM 620 CG ASP A 41 -22.135 12.478 -24.192 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.088 12.975 -24.828 1.00 0.00 O ATOM 622 OD2 ASP A 41 -21.237 11.796 -24.728 1.00 0.00 O ATOM 0 H ASP A 41 -20.512 14.647 -23.219 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.360 14.428 -22.625 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.080 12.431 -22.331 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.789 12.068 -22.196 1.00 0.00 H new ATOM 627 N THR A 42 -23.244 14.978 -20.217 1.00 0.00 N ATOM 628 CA THR A 42 -23.258 15.215 -18.779 1.00 0.00 C ATOM 629 C THR A 42 -23.721 13.975 -18.022 1.00 0.00 C ATOM 630 O THR A 42 -23.059 13.525 -17.087 1.00 0.00 O ATOM 631 CB THR A 42 -24.175 16.397 -18.414 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.819 17.550 -19.185 1.00 0.00 O ATOM 633 CG2 THR A 42 -24.075 16.722 -16.931 1.00 0.00 C ATOM 0 H THR A 42 -24.063 15.332 -20.711 1.00 0.00 H new ATOM 0 HA THR A 42 -22.235 15.454 -18.488 1.00 0.00 H new ATOM 0 HB THR A 42 -25.203 16.113 -18.639 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.408 18.297 -18.948 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.732 17.560 -16.697 1.00 0.00 H new ATOM 0 HG22 THR A 42 -24.375 15.852 -16.347 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.047 16.987 -16.685 1.00 0.00 H new ATOM 641 N ASP A 43 -24.859 13.428 -18.433 1.00 0.00 N ATOM 642 CA ASP A 43 -25.410 12.238 -17.794 1.00 0.00 C ATOM 643 C ASP A 43 -24.395 11.098 -17.801 1.00 0.00 C ATOM 644 O ASP A 43 -24.435 10.212 -16.948 1.00 0.00 O ATOM 645 CB ASP A 43 -26.693 11.800 -18.501 1.00 0.00 C ATOM 646 CG ASP A 43 -27.750 12.886 -18.507 1.00 0.00 C ATOM 647 OD1 ASP A 43 -28.115 13.365 -17.413 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.213 13.257 -19.606 1.00 0.00 O ATOM 0 H ASP A 43 -25.418 13.789 -19.206 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.643 12.487 -16.759 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.460 11.518 -19.528 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -27.091 10.913 -18.009 1.00 0.00 H new ATOM 653 N VAL A 44 -23.488 11.128 -18.772 1.00 0.00 N ATOM 654 CA VAL A 44 -22.463 10.098 -18.891 1.00 0.00 C ATOM 655 C VAL A 44 -21.274 10.398 -17.985 1.00 0.00 C ATOM 656 O VAL A 44 -20.531 9.495 -17.601 1.00 0.00 O ATOM 657 CB VAL A 44 -21.966 9.965 -20.344 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.888 8.897 -20.444 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.127 9.653 -21.276 1.00 0.00 C ATOM 0 H VAL A 44 -23.442 11.854 -19.487 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.922 9.158 -18.584 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.530 10.916 -20.650 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.549 8.817 -21.477 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.047 9.168 -19.806 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -21.294 7.939 -20.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.759 9.562 -22.298 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.594 8.716 -20.974 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.861 10.457 -21.225 1.00 0.00 H new ATOM 669 N MET A 45 -21.101 11.671 -17.647 1.00 0.00 N ATOM 670 CA MET A 45 -20.003 12.090 -16.783 1.00 0.00 C ATOM 671 C MET A 45 -20.033 11.333 -15.460 1.00 0.00 C ATOM 672 O MET A 45 -19.032 10.749 -15.045 1.00 0.00 O ATOM 673 CB MET A 45 -20.075 13.596 -16.525 1.00 0.00 C ATOM 674 CG MET A 45 -18.873 14.142 -15.772 1.00 0.00 C ATOM 675 SD MET A 45 -18.415 15.802 -16.306 1.00 0.00 S ATOM 676 CE MET A 45 -16.635 15.640 -16.429 1.00 0.00 C ATOM 0 H MET A 45 -21.707 12.431 -17.958 1.00 0.00 H new ATOM 0 HA MET A 45 -19.066 11.860 -17.291 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.162 14.116 -17.479 1.00 0.00 H new ATOM 0 HB3 MET A 45 -20.979 13.816 -15.958 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.093 14.156 -14.705 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.025 13.472 -15.914 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.205 16.589 -16.750 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.226 15.367 -15.456 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.389 14.866 -17.156 1.00 0.00 H new ATOM 686 N MET A 46 -21.187 11.347 -14.801 1.00 0.00 N ATOM 687 CA MET A 46 -21.347 10.661 -13.524 1.00 0.00 C ATOM 688 C MET A 46 -20.954 9.192 -13.644 1.00 0.00 C ATOM 689 O MET A 46 -20.084 8.711 -12.918 1.00 0.00 O ATOM 690 CB MET A 46 -22.792 10.776 -13.036 1.00 0.00 C ATOM 691 CG MET A 46 -22.991 10.296 -11.608 1.00 0.00 C ATOM 692 SD MET A 46 -22.224 11.388 -10.395 1.00 0.00 S ATOM 693 CE MET A 46 -23.132 10.943 -8.916 1.00 0.00 C ATOM 0 H MET A 46 -22.025 11.826 -15.130 1.00 0.00 H new ATOM 0 HA MET A 46 -20.688 11.138 -12.799 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.110 11.816 -13.109 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.437 10.199 -13.698 1.00 0.00 H new ATOM 0 HG2 MET A 46 -24.058 10.220 -11.400 1.00 0.00 H new ATOM 0 HG3 MET A 46 -22.574 9.294 -11.504 1.00 0.00 H new ATOM 0 HE1 MET A 46 -22.771 11.535 -8.075 1.00 0.00 H new ATOM 0 HE2 MET A 46 -24.194 11.138 -9.068 1.00 0.00 H new ATOM 0 HE3 MET A 46 -22.985 9.884 -8.703 1.00 0.00 H new ATOM 703 N ASP A 47 -21.601 8.484 -14.564 1.00 0.00 N ATOM 704 CA ASP A 47 -21.318 7.070 -14.779 1.00 0.00 C ATOM 705 C ASP A 47 -19.836 6.849 -15.063 1.00 0.00 C ATOM 706 O ASP A 47 -19.255 5.848 -14.642 1.00 0.00 O ATOM 707 CB ASP A 47 -22.158 6.530 -15.938 1.00 0.00 C ATOM 708 CG ASP A 47 -23.474 5.938 -15.473 1.00 0.00 C ATOM 709 OD1 ASP A 47 -23.443 4.944 -14.718 1.00 0.00 O ATOM 710 OD2 ASP A 47 -24.535 6.469 -15.865 1.00 0.00 O ATOM 0 H ASP A 47 -22.325 8.866 -15.172 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.579 6.530 -13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.355 7.335 -16.646 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.589 5.769 -16.471 1.00 0.00 H new ATOM 715 N PHE A 48 -19.229 7.790 -15.779 1.00 0.00 N ATOM 716 CA PHE A 48 -17.815 7.697 -16.122 1.00 0.00 C ATOM 717 C PHE A 48 -16.943 7.843 -14.877 1.00 0.00 C ATOM 718 O PHE A 48 -15.990 7.089 -14.682 1.00 0.00 O ATOM 719 CB PHE A 48 -17.445 8.771 -17.146 1.00 0.00 C ATOM 720 CG PHE A 48 -15.964 8.929 -17.341 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.238 7.977 -18.038 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.297 10.030 -16.827 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.875 8.119 -18.218 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.935 10.178 -17.005 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.223 9.222 -17.702 1.00 0.00 C ATOM 0 H PHE A 48 -19.695 8.626 -16.133 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.636 6.714 -16.557 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.905 8.523 -18.103 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.865 9.725 -16.828 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.743 7.114 -18.446 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.849 10.781 -16.281 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.320 7.368 -18.761 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.428 11.041 -16.599 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.158 9.336 -17.843 1.00 0.00 H new ATOM 735 N ILE A 49 -17.278 8.819 -14.040 1.00 0.00 N ATOM 736 CA ILE A 49 -16.527 9.065 -12.815 1.00 0.00 C ATOM 737 C ILE A 49 -16.593 7.862 -11.880 1.00 0.00 C ATOM 738 O ILE A 49 -15.596 7.488 -11.261 1.00 0.00 O ATOM 739 CB ILE A 49 -17.052 10.308 -12.072 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.939 11.546 -12.963 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.286 10.511 -10.774 1.00 0.00 C ATOM 742 CD1 ILE A 49 -18.077 12.526 -12.783 1.00 0.00 C ATOM 0 H ILE A 49 -18.064 9.452 -14.188 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.492 9.238 -13.109 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.103 10.152 -11.830 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.997 12.052 -12.750 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.903 11.231 -14.006 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.668 11.393 -10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.413 9.636 -10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.227 10.650 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.931 13.379 -13.446 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.020 12.036 -13.024 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -18.101 12.870 -11.749 1.00 0.00 H new ATOM 754 N SER A 50 -17.773 7.259 -11.782 1.00 0.00 N ATOM 755 CA SER A 50 -17.970 6.099 -10.921 1.00 0.00 C ATOM 756 C SER A 50 -17.426 4.835 -11.579 1.00 0.00 C ATOM 757 O SER A 50 -17.052 3.879 -10.899 1.00 0.00 O ATOM 758 CB SER A 50 -19.456 5.921 -10.601 1.00 0.00 C ATOM 759 OG SER A 50 -19.903 6.911 -9.691 1.00 0.00 O ATOM 0 H SER A 50 -18.608 7.555 -12.288 1.00 0.00 H new ATOM 0 HA SER A 50 -17.423 6.269 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.039 5.978 -11.520 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.624 4.931 -10.178 1.00 0.00 H new ATOM 0 HG SER A 50 -20.856 6.777 -9.504 1.00 0.00 H new ATOM 765 N ARG A 51 -17.384 4.837 -12.907 1.00 0.00 N ATOM 766 CA ARG A 51 -16.887 3.691 -13.659 1.00 0.00 C ATOM 767 C ARG A 51 -15.378 3.542 -13.487 1.00 0.00 C ATOM 768 O ARG A 51 -14.879 2.450 -13.212 1.00 0.00 O ATOM 769 CB ARG A 51 -17.229 3.839 -15.142 1.00 0.00 C ATOM 770 CG ARG A 51 -16.595 2.775 -16.023 1.00 0.00 C ATOM 771 CD ARG A 51 -17.326 2.642 -17.350 1.00 0.00 C ATOM 772 NE ARG A 51 -16.930 1.437 -18.074 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.314 1.168 -19.317 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.098 2.014 -19.971 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.912 0.051 -19.909 1.00 0.00 N ATOM 0 H ARG A 51 -17.688 5.620 -13.485 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.371 2.795 -13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.312 3.800 -15.262 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.906 4.822 -15.484 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.550 3.027 -16.206 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.605 1.817 -15.503 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.401 2.621 -17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.122 3.518 -17.966 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.326 0.766 -17.600 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.408 2.875 -19.520 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.391 1.804 -20.925 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.308 -0.602 -19.410 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.207 -0.155 -20.863 1.00 0.00 H new ATOM 789 N PHE A 52 -14.657 4.646 -13.650 1.00 0.00 N ATOM 790 CA PHE A 52 -13.205 4.638 -13.515 1.00 0.00 C ATOM 791 C PHE A 52 -12.792 4.887 -12.067 1.00 0.00 C ATOM 792 O PHE A 52 -11.976 4.155 -11.508 1.00 0.00 O ATOM 793 CB PHE A 52 -12.580 5.697 -14.425 1.00 0.00 C ATOM 794 CG PHE A 52 -12.531 5.293 -15.870 1.00 0.00 C ATOM 795 CD1 PHE A 52 -13.681 5.288 -16.642 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.333 4.917 -16.457 1.00 0.00 C ATOM 797 CE1 PHE A 52 -13.639 4.916 -17.972 1.00 0.00 C ATOM 798 CE2 PHE A 52 -11.285 4.545 -17.787 1.00 0.00 C ATOM 799 CZ PHE A 52 -12.439 4.543 -18.546 1.00 0.00 C ATOM 0 H PHE A 52 -15.054 5.558 -13.876 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.843 3.654 -13.814 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.148 6.623 -14.334 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.568 5.908 -14.081 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.622 5.578 -16.199 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.427 4.915 -15.869 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.543 4.917 -18.562 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.345 4.256 -18.233 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.403 4.251 -19.585 1.00 0.00 H new ATOM 809 N ALA A 53 -13.362 5.926 -11.466 1.00 0.00 N ATOM 810 CA ALA A 53 -13.056 6.272 -10.084 1.00 0.00 C ATOM 811 C ALA A 53 -14.048 5.626 -9.123 1.00 0.00 C ATOM 812 O ALA A 53 -15.229 5.483 -9.440 1.00 0.00 O ATOM 813 CB ALA A 53 -13.053 7.783 -9.906 1.00 0.00 C ATOM 0 H ALA A 53 -14.039 6.543 -11.915 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.063 5.888 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.823 8.027 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.300 8.225 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.034 8.182 -10.163 1.00 0.00 H new ATOM 819 N ARG A 54 -13.561 5.238 -7.949 1.00 0.00 N ATOM 820 CA ARG A 54 -14.406 4.605 -6.943 1.00 0.00 C ATOM 821 C ARG A 54 -15.311 5.632 -6.270 1.00 0.00 C ATOM 822 O ARG A 54 -16.192 5.280 -5.485 1.00 0.00 O ATOM 823 CB ARG A 54 -13.545 3.902 -5.893 1.00 0.00 C ATOM 824 CG ARG A 54 -14.270 2.787 -5.157 1.00 0.00 C ATOM 825 CD ARG A 54 -14.178 1.470 -5.911 1.00 0.00 C ATOM 826 NE ARG A 54 -15.261 1.315 -6.877 1.00 0.00 N ATOM 827 CZ ARG A 54 -15.328 0.318 -7.752 1.00 0.00 C ATOM 828 NH1 ARG A 54 -14.379 -0.608 -7.782 1.00 0.00 N ATOM 829 NH2 ARG A 54 -16.346 0.245 -8.600 1.00 0.00 N ATOM 0 H ARG A 54 -12.586 5.351 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.033 3.866 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.660 3.490 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.198 4.638 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.842 2.668 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.317 3.059 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.220 1.415 -6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.205 0.643 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.007 2.010 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.595 -0.556 -7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.433 -1.372 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.078 0.955 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.396 -0.521 -9.272 1.00 0.00 H new ATOM 961 N LYS A 63 -0.732 5.912 -1.947 1.00 0.00 N ATOM 962 CA LYS A 63 0.218 6.957 -2.311 1.00 0.00 C ATOM 963 C LYS A 63 -0.074 7.495 -3.708 1.00 0.00 C ATOM 964 O LYS A 63 -0.555 6.766 -4.577 1.00 0.00 O ATOM 965 CB LYS A 63 1.649 6.419 -2.249 1.00 0.00 C ATOM 966 CG LYS A 63 2.710 7.486 -2.455 1.00 0.00 C ATOM 967 CD LYS A 63 4.098 6.963 -2.124 1.00 0.00 C ATOM 968 CE LYS A 63 4.376 7.028 -0.630 1.00 0.00 C ATOM 969 NZ LYS A 63 4.818 8.386 -0.207 1.00 0.00 N ATOM 0 HA LYS A 63 0.113 7.774 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.808 5.943 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.771 5.646 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.686 7.829 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.486 8.349 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.192 5.933 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.846 7.547 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.476 6.751 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.144 6.299 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.997 8.389 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.691 8.640 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.075 9.078 -0.430 1.00 0.00 H new ATOM 983 N THR A 64 0.221 8.773 -3.919 1.00 0.00 N ATOM 984 CA THR A 64 -0.009 9.408 -5.211 1.00 0.00 C ATOM 985 C THR A 64 1.011 8.940 -6.243 1.00 0.00 C ATOM 986 O THR A 64 2.214 8.935 -5.984 1.00 0.00 O ATOM 987 CB THR A 64 0.055 10.943 -5.102 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.242 11.352 -3.763 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.924 11.595 -6.066 1.00 0.00 C ATOM 0 H THR A 64 0.620 9.390 -3.211 1.00 0.00 H new ATOM 0 HA THR A 64 -1.008 9.116 -5.533 1.00 0.00 H new ATOM 0 HB THR A 64 1.064 11.262 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.197 12.329 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.861 12.679 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.677 11.305 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.937 11.269 -5.832 1.00 0.00 H new ATOM 997 N VAL A 65 0.522 8.547 -7.415 1.00 0.00 N ATOM 998 CA VAL A 65 1.392 8.079 -8.488 1.00 0.00 C ATOM 999 C VAL A 65 1.519 9.126 -9.589 1.00 0.00 C ATOM 1000 O VAL A 65 2.480 9.121 -10.357 1.00 0.00 O ATOM 1001 CB VAL A 65 0.870 6.766 -9.101 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.439 7.004 -9.838 1.00 0.00 C ATOM 1003 CG2 VAL A 65 1.912 6.161 -10.030 1.00 0.00 C ATOM 0 H VAL A 65 -0.472 8.543 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 65 2.372 7.901 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 65 0.681 6.058 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.792 6.065 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.184 7.389 -9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.280 7.728 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.527 5.234 -10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.134 6.863 -10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.823 5.952 -9.468 1.00 0.00 H new ATOM 1013 N GLY A 66 0.541 10.024 -9.660 1.00 0.00 N ATOM 1014 CA GLY A 66 0.563 11.066 -10.670 1.00 0.00 C ATOM 1015 C GLY A 66 -0.696 11.910 -10.659 1.00 0.00 C ATOM 1016 O GLY A 66 -1.754 11.454 -10.226 1.00 0.00 O ATOM 0 H GLY A 66 -0.266 10.048 -9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.429 11.708 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.684 10.612 -11.654 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.582 13.146 -11.134 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.719 14.058 -11.175 1.00 0.00 C ATOM 1022 C PHE A 67 -1.880 14.665 -12.566 1.00 0.00 C ATOM 1023 O PHE A 67 -0.902 15.058 -13.201 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.546 15.169 -10.138 1.00 0.00 C ATOM 1025 CG PHE A 67 -2.806 15.944 -9.874 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -3.300 16.830 -10.816 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -3.495 15.785 -8.682 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -4.459 17.544 -10.576 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -4.655 16.496 -8.437 1.00 0.00 C ATOM 1030 CZ PHE A 67 -5.137 17.378 -9.385 1.00 0.00 C ATOM 0 H PHE A 67 0.287 13.539 -11.496 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.618 13.488 -10.940 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.196 14.731 -9.203 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.771 15.856 -10.479 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.774 16.965 -11.749 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.122 15.098 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.834 18.231 -11.320 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.184 16.362 -7.505 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.042 17.936 -9.195 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.122 14.737 -13.033 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.413 15.296 -14.348 1.00 0.00 C ATOM 1042 C VAL A 68 -4.417 16.439 -14.249 1.00 0.00 C ATOM 1043 O VAL A 68 -5.545 16.251 -13.794 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.966 14.223 -15.304 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.272 14.827 -16.666 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.985 13.067 -15.433 1.00 0.00 C ATOM 0 H VAL A 68 -3.943 14.415 -12.520 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.472 15.676 -14.746 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.896 13.836 -14.888 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.662 14.054 -17.328 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.014 15.617 -16.555 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.360 15.244 -17.093 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.392 12.318 -16.112 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.037 13.436 -15.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.821 12.618 -14.454 1.00 0.00 H new ATOM 1056 N VAL A 69 -3.999 17.625 -14.680 1.00 0.00 N ATOM 1057 CA VAL A 69 -4.862 18.800 -14.642 1.00 0.00 C ATOM 1058 C VAL A 69 -5.563 19.010 -15.979 1.00 0.00 C ATOM 1059 O VAL A 69 -4.929 18.996 -17.034 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.066 20.070 -14.287 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.006 21.246 -14.068 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.203 19.831 -13.057 1.00 0.00 C ATOM 0 H VAL A 69 -3.068 17.798 -15.060 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.608 18.620 -13.868 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.409 20.311 -15.123 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.426 22.134 -13.818 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.577 21.430 -14.978 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.690 21.018 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.647 20.738 -12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.839 19.564 -12.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.504 19.019 -13.255 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.877 19.206 -15.928 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.665 19.422 -17.135 1.00 0.00 C ATOM 1074 C VAL A 70 -8.830 20.368 -16.869 1.00 0.00 C ATOM 1075 O VAL A 70 -9.783 20.017 -16.175 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.214 18.094 -17.691 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.068 18.344 -18.924 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.074 17.138 -18.008 1.00 0.00 C ATOM 0 H VAL A 70 -7.418 19.220 -15.063 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.999 19.869 -17.872 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.843 17.634 -16.929 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.447 17.395 -19.303 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.906 18.990 -18.662 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.464 18.826 -19.693 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.480 16.205 -18.400 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.417 17.589 -18.752 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.507 16.934 -17.100 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.747 21.572 -17.427 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.795 22.571 -17.250 1.00 0.00 C ATOM 1090 C ASN A 71 -10.205 23.172 -18.590 1.00 0.00 C ATOM 1091 O ASN A 71 -9.434 23.894 -19.221 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.319 23.678 -16.306 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.978 23.153 -14.925 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -9.819 23.148 -14.026 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -7.739 22.709 -14.750 1.00 0.00 N ATOM 0 H ASN A 71 -7.965 21.879 -18.005 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.663 22.078 -16.812 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.442 24.164 -16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.095 24.438 -16.221 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.451 22.345 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.075 22.732 -15.524 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.426 22.868 -19.020 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.941 23.380 -20.284 1.00 0.00 C ATOM 1104 C ALA A 72 -12.343 24.846 -20.159 1.00 0.00 C ATOM 1105 O ALA A 72 -12.363 25.580 -21.147 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.123 22.544 -20.749 1.00 0.00 C ATOM 0 H ALA A 72 -12.077 22.270 -18.511 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.147 23.311 -21.027 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.498 22.937 -21.694 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.806 21.510 -20.887 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.914 22.584 -20.000 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.663 25.265 -18.940 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.065 26.644 -18.687 1.00 0.00 C ATOM 1114 C ASP A 73 -11.863 27.580 -18.748 1.00 0.00 C ATOM 1115 O ASP A 73 -11.875 28.579 -19.469 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.746 26.756 -17.322 1.00 0.00 C ATOM 1117 CG ASP A 73 -14.838 27.808 -17.304 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -15.526 27.966 -18.335 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -15.006 28.471 -16.260 1.00 0.00 O ATOM 0 H ASP A 73 -12.652 24.670 -18.112 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.772 26.939 -19.463 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.172 25.790 -17.051 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.000 26.998 -16.566 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.824 27.252 -17.986 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.613 28.063 -17.953 1.00 0.00 C ATOM 1126 C LYS A 74 -8.635 27.625 -19.039 1.00 0.00 C ATOM 1127 O LYS A 74 -7.539 28.173 -19.160 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.945 27.963 -16.580 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.784 28.538 -15.452 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.902 30.049 -15.559 1.00 0.00 C ATOM 1131 CE LYS A 74 -10.130 30.689 -14.198 1.00 0.00 C ATOM 1132 NZ LYS A 74 -10.272 32.168 -14.297 1.00 0.00 N ATOM 0 H LYS A 74 -10.797 26.430 -17.383 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.895 29.099 -18.139 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.731 26.916 -16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.988 28.484 -16.612 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.778 28.092 -15.473 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.337 28.274 -14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.994 30.455 -16.005 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.726 30.304 -16.225 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.027 30.268 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.296 30.448 -13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.426 32.566 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.406 32.573 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.083 32.399 -14.905 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.039 26.635 -19.828 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.200 26.124 -20.906 1.00 0.00 C ATOM 1148 C LYS A 75 -6.809 25.770 -20.391 1.00 0.00 C ATOM 1149 O LYS A 75 -5.800 26.203 -20.950 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.092 27.158 -22.029 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.436 27.580 -22.598 1.00 0.00 C ATOM 1152 CD LYS A 75 -9.318 28.851 -23.422 1.00 0.00 C ATOM 1153 CE LYS A 75 -10.520 29.038 -24.334 1.00 0.00 C ATOM 1154 NZ LYS A 75 -10.443 28.166 -25.539 1.00 0.00 N ATOM 0 H LYS A 75 -9.943 26.170 -19.741 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.665 25.219 -21.297 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.574 28.039 -21.651 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.480 26.748 -22.832 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.837 26.779 -23.219 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.144 27.737 -21.784 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.228 29.710 -22.757 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.408 28.814 -24.021 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.433 28.815 -23.782 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.582 30.081 -24.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.263 28.348 -26.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.568 28.373 -26.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.444 27.168 -25.246 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.761 24.979 -19.325 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.492 24.565 -18.736 1.00 0.00 C ATOM 1170 C LEU A 76 -5.368 23.045 -18.722 1.00 0.00 C ATOM 1171 O LEU A 76 -6.215 22.349 -18.163 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.365 25.112 -17.312 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.194 26.626 -17.188 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.689 27.109 -15.833 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -3.739 27.017 -17.396 1.00 0.00 C ATOM 0 H LEU A 76 -7.586 24.611 -18.851 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.686 24.971 -19.348 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.253 24.820 -16.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.513 24.630 -16.834 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.792 27.105 -17.963 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.560 28.189 -15.762 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.745 26.862 -15.722 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.118 26.623 -15.042 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.636 28.098 -17.304 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.120 26.528 -16.644 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.417 26.705 -18.389 1.00 0.00 H new ATOM 1187 N MET A 77 -4.307 22.537 -19.340 1.00 0.00 N ATOM 1188 CA MET A 77 -4.071 21.099 -19.395 1.00 0.00 C ATOM 1189 C MET A 77 -2.639 20.767 -18.988 1.00 0.00 C ATOM 1190 O MET A 77 -1.683 21.257 -19.589 1.00 0.00 O ATOM 1191 CB MET A 77 -4.349 20.569 -20.803 1.00 0.00 C ATOM 1192 CG MET A 77 -5.618 21.131 -21.424 1.00 0.00 C ATOM 1193 SD MET A 77 -6.628 19.860 -22.210 1.00 0.00 S ATOM 1194 CE MET A 77 -8.209 20.697 -22.307 1.00 0.00 C ATOM 0 H MET A 77 -3.597 23.099 -19.810 1.00 0.00 H new ATOM 0 HA MET A 77 -4.751 20.617 -18.692 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.502 20.809 -21.446 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.423 19.482 -20.765 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.205 21.631 -20.653 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.352 21.887 -22.163 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.942 20.038 -22.772 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.543 20.961 -21.304 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.105 21.603 -22.905 1.00 0.00 H new ATOM 1204 N SER A 78 -2.498 19.932 -17.963 1.00 0.00 N ATOM 1205 CA SER A 78 -1.182 19.538 -17.474 1.00 0.00 C ATOM 1206 C SER A 78 -1.166 18.062 -17.089 1.00 0.00 C ATOM 1207 O SER A 78 -2.200 17.484 -16.753 1.00 0.00 O ATOM 1208 CB SER A 78 -0.785 20.395 -16.270 1.00 0.00 C ATOM 1209 OG SER A 78 -1.331 21.699 -16.370 1.00 0.00 O ATOM 0 H SER A 78 -3.279 19.516 -17.456 1.00 0.00 H new ATOM 0 HA SER A 78 -0.461 19.695 -18.276 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.133 19.921 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.301 20.456 -16.206 1.00 0.00 H new ATOM 0 HG SER A 78 -0.611 22.361 -16.310 1.00 0.00 H new ATOM 1215 N VAL A 79 0.017 17.457 -17.140 1.00 0.00 N ATOM 1216 CA VAL A 79 0.171 16.049 -16.796 1.00 0.00 C ATOM 1217 C VAL A 79 1.432 15.819 -15.971 1.00 0.00 C ATOM 1218 O VAL A 79 2.507 16.313 -16.310 1.00 0.00 O ATOM 1219 CB VAL A 79 0.227 15.166 -18.057 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -0.586 13.896 -17.856 1.00 0.00 C ATOM 1221 CG2 VAL A 79 -0.267 15.939 -19.270 1.00 0.00 C ATOM 0 H VAL A 79 0.883 17.921 -17.416 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.702 15.771 -16.205 1.00 0.00 H new ATOM 0 HB VAL A 79 1.264 14.880 -18.234 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.535 13.285 -18.757 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.182 13.335 -17.013 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.625 14.157 -17.653 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.221 15.300 -20.152 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.297 16.256 -19.105 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.362 16.816 -19.424 1.00 0.00 H new ATOM 1231 N SER A 80 1.293 15.064 -14.886 1.00 0.00 N ATOM 1232 CA SER A 80 2.421 14.770 -14.009 1.00 0.00 C ATOM 1233 C SER A 80 2.442 13.294 -13.627 1.00 0.00 C ATOM 1234 O SER A 80 1.735 12.866 -12.715 1.00 0.00 O ATOM 1235 CB SER A 80 2.353 15.634 -12.749 1.00 0.00 C ATOM 1236 OG SER A 80 1.761 16.892 -13.023 1.00 0.00 O ATOM 0 H SER A 80 0.411 14.645 -14.593 1.00 0.00 H new ATOM 0 HA SER A 80 3.339 15.000 -14.549 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.777 15.117 -11.981 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.357 15.780 -12.350 1.00 0.00 H new ATOM 0 HG SER A 80 1.728 17.424 -12.201 1.00 0.00 H new ATOM 1242 N PHE A 81 3.260 12.518 -14.332 1.00 0.00 N ATOM 1243 CA PHE A 81 3.374 11.089 -14.068 1.00 0.00 C ATOM 1244 C PHE A 81 4.574 10.794 -13.174 1.00 0.00 C ATOM 1245 O PHE A 81 5.665 11.323 -13.387 1.00 0.00 O ATOM 1246 CB PHE A 81 3.501 10.315 -15.382 1.00 0.00 C ATOM 1247 CG PHE A 81 2.178 9.966 -16.003 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.216 10.941 -16.210 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.898 8.662 -16.379 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.002 10.622 -16.780 1.00 0.00 C ATOM 1251 CE2 PHE A 81 0.681 8.337 -16.950 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.269 9.319 -17.151 1.00 0.00 C ATOM 0 H PHE A 81 3.853 12.855 -15.090 1.00 0.00 H new ATOM 0 HA PHE A 81 2.470 10.768 -13.550 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.080 10.909 -16.089 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.062 9.398 -15.201 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.420 11.962 -15.923 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.638 7.891 -16.224 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.744 11.391 -16.935 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.474 7.317 -17.238 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.220 9.068 -17.598 1.00 0.00 H new ATOM 1262 N SER A 82 4.364 9.948 -12.171 1.00 0.00 N ATOM 1263 CA SER A 82 5.427 9.586 -11.240 1.00 0.00 C ATOM 1264 C SER A 82 5.578 8.071 -11.150 1.00 0.00 C ATOM 1265 O SER A 82 4.596 7.347 -10.984 1.00 0.00 O ATOM 1266 CB SER A 82 5.138 10.164 -9.854 1.00 0.00 C ATOM 1267 OG SER A 82 6.339 10.408 -9.142 1.00 0.00 O ATOM 0 H SER A 82 3.467 9.500 -11.982 1.00 0.00 H new ATOM 0 HA SER A 82 6.361 10.005 -11.613 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.576 11.092 -9.954 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.512 9.471 -9.291 1.00 0.00 H new ATOM 0 HG SER A 82 6.127 10.779 -8.260 1.00 0.00 H new ATOM 1273 N ASP A 83 6.814 7.598 -11.261 1.00 0.00 N ATOM 1274 CA ASP A 83 7.095 6.169 -11.191 1.00 0.00 C ATOM 1275 C ASP A 83 6.391 5.421 -12.319 1.00 0.00 C ATOM 1276 O ASP A 83 5.526 4.579 -12.074 1.00 0.00 O ATOM 1277 CB ASP A 83 6.657 5.606 -9.838 1.00 0.00 C ATOM 1278 CG ASP A 83 6.891 6.582 -8.702 1.00 0.00 C ATOM 1279 OD1 ASP A 83 8.060 6.956 -8.473 1.00 0.00 O ATOM 1280 OD2 ASP A 83 5.905 6.973 -8.042 1.00 0.00 O ATOM 0 H ASP A 83 7.638 8.183 -11.400 1.00 0.00 H new ATOM 0 HA ASP A 83 8.170 6.030 -11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.599 5.349 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.201 4.683 -9.638 1.00 0.00 H new ATOM 1285 N ILE A 84 6.767 5.734 -13.555 1.00 0.00 N ATOM 1286 CA ILE A 84 6.171 5.091 -14.720 1.00 0.00 C ATOM 1287 C ILE A 84 7.245 4.595 -15.683 1.00 0.00 C ATOM 1288 O ILE A 84 8.439 4.783 -15.448 1.00 0.00 O ATOM 1289 CB ILE A 84 5.227 6.049 -15.470 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.981 7.310 -15.900 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.036 6.411 -14.596 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.473 7.905 -17.194 1.00 0.00 C ATOM 0 H ILE A 84 7.481 6.428 -13.775 1.00 0.00 H new ATOM 0 HA ILE A 84 5.596 4.241 -14.352 1.00 0.00 H new ATOM 0 HB ILE A 84 4.858 5.546 -16.364 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.903 8.057 -15.110 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.039 7.071 -16.010 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.378 7.089 -15.140 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.488 5.506 -14.334 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.387 6.898 -13.686 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.053 8.795 -17.437 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.576 7.174 -17.996 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.423 8.175 -17.083 1.00 0.00 H new ATOM 1304 N ASP A 85 6.812 3.963 -16.768 1.00 0.00 N ATOM 1305 CA ASP A 85 7.735 3.443 -17.769 1.00 0.00 C ATOM 1306 C ASP A 85 7.868 4.411 -18.941 1.00 0.00 C ATOM 1307 O ASP A 85 7.010 5.267 -19.150 1.00 0.00 O ATOM 1308 CB ASP A 85 7.261 2.078 -18.270 1.00 0.00 C ATOM 1309 CG ASP A 85 8.401 1.224 -18.790 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.303 0.890 -17.994 1.00 0.00 O ATOM 1311 OD2 ASP A 85 8.390 0.890 -19.993 1.00 0.00 O ATOM 0 H ASP A 85 5.827 3.798 -16.977 1.00 0.00 H new ATOM 0 HA ASP A 85 8.713 3.330 -17.302 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.757 1.552 -17.459 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.527 2.220 -19.063 1.00 0.00 H new ATOM 1316 N GLU A 86 8.950 4.267 -19.701 1.00 0.00 N ATOM 1317 CA GLU A 86 9.195 5.131 -20.850 1.00 0.00 C ATOM 1318 C GLU A 86 8.289 4.753 -22.018 1.00 0.00 C ATOM 1319 O GLU A 86 7.760 5.619 -22.712 1.00 0.00 O ATOM 1320 CB GLU A 86 10.661 5.042 -21.279 1.00 0.00 C ATOM 1321 CG GLU A 86 11.104 3.635 -21.644 1.00 0.00 C ATOM 1322 CD GLU A 86 12.584 3.554 -21.965 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.403 3.840 -21.067 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.923 3.205 -23.115 1.00 0.00 O ATOM 0 H GLU A 86 9.669 3.562 -19.542 1.00 0.00 H new ATOM 0 HA GLU A 86 8.971 6.156 -20.556 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.821 5.698 -22.135 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.291 5.414 -20.471 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.878 2.961 -20.818 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.530 3.289 -22.504 1.00 0.00 H new ATOM 1331 N ASN A 87 8.115 3.452 -22.227 1.00 0.00 N ATOM 1332 CA ASN A 87 7.274 2.958 -23.312 1.00 0.00 C ATOM 1333 C ASN A 87 5.866 3.539 -23.215 1.00 0.00 C ATOM 1334 O ASN A 87 5.344 4.089 -24.184 1.00 0.00 O ATOM 1335 CB ASN A 87 7.210 1.429 -23.280 1.00 0.00 C ATOM 1336 CG ASN A 87 8.357 0.788 -24.036 1.00 0.00 C ATOM 1337 OD1 ASN A 87 9.577 1.006 -23.557 1.00 0.00 O flip ATOM 1338 ND2 ASN A 87 8.149 0.104 -25.038 1.00 0.00 N flip ATOM 0 H ASN A 87 8.545 2.721 -21.660 1.00 0.00 H new ATOM 0 HA ASN A 87 7.716 3.277 -24.256 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.225 1.089 -22.245 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.265 1.098 -23.710 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.195 -0.037 -25.370 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.931 -0.322 -25.536 1.00 0.00 H new ATOM 1345 N MET A 88 5.258 3.411 -22.040 1.00 0.00 N ATOM 1346 CA MET A 88 3.912 3.925 -21.817 1.00 0.00 C ATOM 1347 C MET A 88 3.860 5.432 -22.046 1.00 0.00 C ATOM 1348 O MET A 88 2.820 5.980 -22.411 1.00 0.00 O ATOM 1349 CB MET A 88 3.447 3.597 -20.397 1.00 0.00 C ATOM 1350 CG MET A 88 1.935 3.511 -20.257 1.00 0.00 C ATOM 1351 SD MET A 88 1.312 1.834 -20.483 1.00 0.00 S ATOM 1352 CE MET A 88 0.198 1.697 -19.086 1.00 0.00 C ATOM 0 H MET A 88 5.676 2.956 -21.228 1.00 0.00 H new ATOM 0 HA MET A 88 3.244 3.444 -22.531 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.887 2.648 -20.090 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.824 4.359 -19.715 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.644 3.873 -19.271 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.468 4.170 -20.989 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.674 1.115 -18.297 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.038 2.692 -18.710 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.720 1.200 -19.400 1.00 0.00 H new ATOM 1362 N LYS A 89 4.990 6.098 -21.830 1.00 0.00 N ATOM 1363 CA LYS A 89 5.074 7.542 -22.014 1.00 0.00 C ATOM 1364 C LYS A 89 4.671 7.935 -23.431 1.00 0.00 C ATOM 1365 O LYS A 89 4.124 9.015 -23.656 1.00 0.00 O ATOM 1366 CB LYS A 89 6.494 8.032 -21.722 1.00 0.00 C ATOM 1367 CG LYS A 89 6.554 9.469 -21.234 1.00 0.00 C ATOM 1368 CD LYS A 89 7.988 9.961 -21.123 1.00 0.00 C ATOM 1369 CE LYS A 89 8.475 10.558 -22.435 1.00 0.00 C ATOM 1370 NZ LYS A 89 9.959 10.676 -22.473 1.00 0.00 N ATOM 0 H LYS A 89 5.860 5.660 -21.527 1.00 0.00 H new ATOM 0 HA LYS A 89 4.382 8.013 -21.315 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.946 7.383 -20.972 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.095 7.939 -22.627 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.000 10.110 -21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.066 9.545 -20.262 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.057 10.709 -20.334 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.637 9.134 -20.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.139 9.936 -23.264 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.029 11.543 -22.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.251 11.087 -23.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.278 11.290 -21.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.385 9.733 -22.366 1.00 0.00 H new ATOM 1384 N LYS A 90 4.942 7.051 -24.385 1.00 0.00 N ATOM 1385 CA LYS A 90 4.606 7.303 -25.781 1.00 0.00 C ATOM 1386 C LYS A 90 3.102 7.495 -25.952 1.00 0.00 C ATOM 1387 O LYS A 90 2.652 8.509 -26.484 1.00 0.00 O ATOM 1388 CB LYS A 90 5.086 6.146 -26.660 1.00 0.00 C ATOM 1389 CG LYS A 90 5.330 6.541 -28.106 1.00 0.00 C ATOM 1390 CD LYS A 90 6.280 5.576 -28.796 1.00 0.00 C ATOM 1391 CE LYS A 90 7.733 5.930 -28.517 1.00 0.00 C ATOM 1392 NZ LYS A 90 8.667 5.163 -29.387 1.00 0.00 N ATOM 0 H LYS A 90 5.394 6.152 -24.216 1.00 0.00 H new ATOM 0 HA LYS A 90 5.110 8.219 -26.090 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.008 5.742 -26.242 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.345 5.347 -26.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.381 6.565 -28.642 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.743 7.549 -28.144 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.080 4.560 -28.455 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.100 5.593 -29.871 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.884 6.998 -28.675 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.962 5.727 -27.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.647 5.432 -29.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.541 4.145 -29.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.466 5.376 -30.385 1.00 0.00 H new ATOM 1406 N VAL A 91 2.329 6.514 -25.496 1.00 0.00 N ATOM 1407 CA VAL A 91 0.876 6.576 -25.596 1.00 0.00 C ATOM 1408 C VAL A 91 0.317 7.727 -24.767 1.00 0.00 C ATOM 1409 O VAL A 91 -0.477 8.530 -25.258 1.00 0.00 O ATOM 1410 CB VAL A 91 0.225 5.260 -25.133 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -1.286 5.323 -25.300 1.00 0.00 C ATOM 1412 CG2 VAL A 91 0.805 4.080 -25.898 1.00 0.00 C ATOM 0 H VAL A 91 2.685 5.667 -25.054 1.00 0.00 H new ATOM 0 HA VAL A 91 0.638 6.740 -26.647 1.00 0.00 H new ATOM 0 HB VAL A 91 0.444 5.120 -24.074 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.728 4.384 -24.968 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.684 6.143 -24.703 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.530 5.487 -26.350 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.333 3.158 -25.558 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.619 4.211 -26.964 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.879 4.024 -25.721 1.00 0.00 H new ATOM 1422 N ILE A 92 0.737 7.800 -23.509 1.00 0.00 N ATOM 1423 CA ILE A 92 0.279 8.854 -22.612 1.00 0.00 C ATOM 1424 C ILE A 92 0.547 10.234 -23.203 1.00 0.00 C ATOM 1425 O ILE A 92 -0.344 11.083 -23.257 1.00 0.00 O ATOM 1426 CB ILE A 92 0.961 8.757 -21.234 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.658 7.405 -20.586 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.504 9.896 -20.335 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.734 6.939 -19.630 1.00 0.00 C ATOM 0 H ILE A 92 1.393 7.143 -23.088 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.795 8.717 -22.487 1.00 0.00 H new ATOM 0 HB ILE A 92 2.039 8.840 -21.372 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.289 7.472 -20.050 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.529 6.657 -21.368 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.995 9.813 -19.365 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.766 10.849 -20.794 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.576 9.842 -20.201 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.453 5.974 -19.208 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.678 6.839 -20.165 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.847 7.667 -18.827 1.00 0.00 H new ATOM 1441 N LYS A 93 1.780 10.452 -23.647 1.00 0.00 N ATOM 1442 CA LYS A 93 2.167 11.728 -24.238 1.00 0.00 C ATOM 1443 C LYS A 93 1.307 12.045 -25.458 1.00 0.00 C ATOM 1444 O LYS A 93 0.767 13.144 -25.579 1.00 0.00 O ATOM 1445 CB LYS A 93 3.644 11.702 -24.635 1.00 0.00 C ATOM 1446 CG LYS A 93 4.145 13.020 -25.201 1.00 0.00 C ATOM 1447 CD LYS A 93 4.681 13.928 -24.107 1.00 0.00 C ATOM 1448 CE LYS A 93 6.129 13.604 -23.773 1.00 0.00 C ATOM 1449 NZ LYS A 93 7.050 13.967 -24.885 1.00 0.00 N ATOM 0 H LYS A 93 2.529 9.761 -23.609 1.00 0.00 H new ATOM 0 HA LYS A 93 2.011 12.508 -23.493 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.242 11.441 -23.762 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.799 10.916 -25.374 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.930 12.828 -25.933 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.334 13.523 -25.728 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.604 14.968 -24.425 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.068 13.822 -23.212 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.422 14.139 -22.870 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.222 12.540 -23.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.019 14.056 -24.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.023 13.226 -25.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.753 14.873 -25.300 1.00 0.00 H new ATOM 1463 N ALA A 94 1.184 11.075 -26.358 1.00 0.00 N ATOM 1464 CA ALA A 94 0.387 11.251 -27.566 1.00 0.00 C ATOM 1465 C ALA A 94 -1.031 11.698 -27.228 1.00 0.00 C ATOM 1466 O ALA A 94 -1.548 12.653 -27.809 1.00 0.00 O ATOM 1467 CB ALA A 94 0.358 9.960 -28.371 1.00 0.00 C ATOM 0 H ALA A 94 1.626 10.160 -26.274 1.00 0.00 H new ATOM 0 HA ALA A 94 0.852 12.032 -28.168 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.240 10.105 -29.270 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.374 9.684 -28.652 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.081 9.165 -27.768 1.00 0.00 H new ATOM 1473 N THR A 95 -1.658 11.001 -26.284 1.00 0.00 N ATOM 1474 CA THR A 95 -3.017 11.325 -25.870 1.00 0.00 C ATOM 1475 C THR A 95 -3.106 12.754 -25.346 1.00 0.00 C ATOM 1476 O THR A 95 -3.925 13.546 -25.812 1.00 0.00 O ATOM 1477 CB THR A 95 -3.518 10.359 -24.781 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.028 9.037 -25.035 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.038 10.341 -24.730 1.00 0.00 C ATOM 0 H THR A 95 -1.245 10.208 -25.792 1.00 0.00 H new ATOM 0 HA THR A 95 -3.649 11.224 -26.753 1.00 0.00 H new ATOM 0 HB THR A 95 -3.143 10.706 -23.818 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.094 8.973 -24.746 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.368 9.651 -23.953 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.406 11.342 -24.507 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.431 10.017 -25.694 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.258 13.078 -24.376 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.240 14.412 -23.791 1.00 0.00 C ATOM 1489 C ALA A 96 -1.929 15.470 -24.845 1.00 0.00 C ATOM 1490 O ALA A 96 -2.321 16.628 -24.708 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.225 14.479 -22.659 1.00 0.00 C ATOM 0 H ALA A 96 -1.574 12.434 -23.979 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.232 14.618 -23.388 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.223 15.482 -22.231 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.492 13.756 -21.888 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.233 14.247 -23.046 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.222 15.063 -25.894 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.859 15.977 -26.970 1.00 0.00 C ATOM 1499 C GLU A 97 -2.062 16.276 -27.860 1.00 0.00 C ATOM 1500 O GLU A 97 -2.282 17.419 -28.263 1.00 0.00 O ATOM 1501 CB GLU A 97 0.276 15.386 -27.810 1.00 0.00 C ATOM 1502 CG GLU A 97 1.129 16.434 -28.504 1.00 0.00 C ATOM 1503 CD GLU A 97 1.787 15.909 -29.766 1.00 0.00 C ATOM 1504 OE1 GLU A 97 2.070 14.694 -29.825 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.019 16.713 -30.693 1.00 0.00 O ATOM 0 H GLU A 97 -0.889 14.107 -26.022 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.521 16.911 -26.520 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.913 14.778 -27.168 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.148 14.720 -28.561 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.509 17.295 -28.753 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.899 16.784 -27.816 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.838 15.241 -28.163 1.00 0.00 N ATOM 1513 CA LYS A 98 -4.020 15.391 -29.004 1.00 0.00 C ATOM 1514 C LYS A 98 -4.965 16.442 -28.432 1.00 0.00 C ATOM 1515 O LYS A 98 -5.695 17.103 -29.171 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.749 14.052 -29.137 1.00 0.00 C ATOM 1517 CG LYS A 98 -5.200 13.743 -30.554 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.016 13.551 -31.487 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.693 12.078 -31.682 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.781 11.363 -32.404 1.00 0.00 N ATOM 0 H LYS A 98 -2.670 14.289 -27.839 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.694 15.720 -29.991 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.091 13.254 -28.792 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.619 14.055 -28.480 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.813 12.842 -30.553 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.827 14.555 -30.923 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.234 14.007 -32.452 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.145 14.065 -31.081 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.762 11.981 -32.240 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.533 11.610 -30.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.383 10.547 -32.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.492 11.032 -31.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.229 12.009 -33.085 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.946 16.593 -27.112 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.801 17.565 -26.441 1.00 0.00 C ATOM 1536 C PHE A 99 -5.552 18.971 -26.978 1.00 0.00 C ATOM 1537 O PHE A 99 -6.416 19.844 -26.891 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.558 17.534 -24.931 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.452 16.574 -24.199 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -6.072 15.254 -24.016 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.672 16.992 -23.693 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.893 14.369 -23.344 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.498 16.111 -23.020 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.107 14.798 -22.844 1.00 0.00 C ATOM 0 H PHE A 99 -4.348 16.054 -26.486 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.838 17.297 -26.641 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.519 17.265 -24.744 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.705 18.535 -24.527 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.123 14.913 -24.403 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.981 18.018 -23.826 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.586 13.342 -23.210 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.448 16.449 -22.632 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.749 14.108 -22.317 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.365 19.184 -27.535 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.000 20.483 -28.088 1.00 0.00 C ATOM 1556 C LYS A 100 -5.072 20.986 -29.049 1.00 0.00 C ATOM 1557 O LYS A 100 -5.278 22.191 -29.188 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.654 20.392 -28.812 1.00 0.00 C ATOM 1559 CG LYS A 100 -2.063 21.745 -29.169 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.043 21.630 -30.289 1.00 0.00 C ATOM 1561 CE LYS A 100 -1.713 21.349 -31.626 1.00 0.00 C ATOM 1562 NZ LYS A 100 -0.773 21.531 -32.766 1.00 0.00 N ATOM 0 H LYS A 100 -3.638 18.473 -27.616 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.916 21.190 -27.263 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.948 19.851 -28.182 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.780 19.808 -29.724 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.861 22.423 -29.471 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.590 22.180 -28.289 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.468 22.554 -30.356 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.337 20.832 -30.059 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.098 20.329 -31.632 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.568 22.013 -31.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.267 21.330 -33.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.425 22.511 -32.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.030 20.879 -32.661 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.754 20.054 -29.708 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.807 20.404 -30.654 1.00 0.00 C ATOM 1578 C ASN A 101 -7.816 21.356 -30.019 1.00 0.00 C ATOM 1579 O ASN A 101 -8.281 22.302 -30.655 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.519 19.143 -31.147 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.722 18.406 -32.206 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.850 18.982 -32.856 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -7.019 17.123 -32.384 1.00 0.00 N ATOM 0 H ASN A 101 -5.596 19.052 -29.604 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.344 20.907 -31.503 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.699 18.477 -30.303 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.494 19.414 -31.553 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.516 16.575 -33.082 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.750 16.686 -31.822 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.151 21.099 -28.759 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.103 21.932 -28.034 1.00 0.00 C ATOM 1592 C LYS A 102 -8.514 22.405 -26.709 1.00 0.00 C ATOM 1593 O LYS A 102 -9.245 22.693 -25.762 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.400 21.159 -27.782 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.365 21.192 -28.953 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.122 20.037 -29.910 1.00 0.00 C ATOM 1597 CE LYS A 102 -11.722 20.312 -31.280 1.00 0.00 C ATOM 1598 NZ LYS A 102 -10.933 21.323 -32.038 1.00 0.00 N ATOM 0 H LYS A 102 -7.777 20.319 -28.218 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.322 22.807 -28.646 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.156 20.122 -27.552 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.894 21.572 -26.903 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.389 21.149 -28.583 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.258 22.136 -29.487 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.050 19.865 -30.009 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.555 19.125 -29.499 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.766 19.384 -31.850 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.747 20.664 -31.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.510 22.176 -32.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.079 21.572 -31.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.658 20.929 -32.960 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.188 22.483 -26.650 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.525 22.923 -25.436 1.00 0.00 C ATOM 1614 C GLY A 103 -5.105 23.392 -25.689 1.00 0.00 C ATOM 1615 O GLY A 103 -4.152 22.633 -25.510 1.00 0.00 O ATOM 0 H GLY A 103 -6.562 22.250 -27.420 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.098 23.734 -24.986 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.511 22.105 -24.716 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.963 24.645 -26.108 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.650 25.213 -26.388 1.00 0.00 C ATOM 1621 C PHE A 104 -2.703 25.000 -25.211 1.00 0.00 C ATOM 1622 O PHE A 104 -1.584 24.513 -25.379 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.772 26.707 -26.696 1.00 0.00 C ATOM 1624 CG PHE A 104 -4.076 26.999 -28.138 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -3.139 26.735 -29.124 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -5.298 27.538 -28.506 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -3.416 27.003 -30.452 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -5.580 27.807 -29.832 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.638 27.540 -30.806 1.00 0.00 C ATOM 0 H PHE A 104 -5.741 25.286 -26.261 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.239 24.702 -27.259 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.558 27.135 -26.073 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.841 27.204 -26.421 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.182 26.315 -28.852 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.038 27.750 -27.749 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.678 26.793 -31.211 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.537 28.226 -30.106 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.857 27.751 -31.842 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.158 25.370 -24.019 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.354 25.221 -22.812 1.00 0.00 C ATOM 1641 C LYS A 105 -2.211 23.750 -22.432 1.00 0.00 C ATOM 1642 O LYS A 105 -3.010 23.217 -21.662 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.985 25.998 -21.654 1.00 0.00 C ATOM 1644 CG LYS A 105 -1.972 26.521 -20.650 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.521 25.429 -19.694 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.475 25.943 -18.716 1.00 0.00 C ATOM 1647 NZ LYS A 105 0.730 26.467 -19.416 1.00 0.00 N ATOM 0 H LYS A 105 -4.081 25.776 -23.863 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.362 25.625 -23.015 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.552 26.837 -22.057 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.695 25.352 -21.138 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.108 26.923 -21.179 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.410 27.343 -20.084 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.381 25.049 -19.143 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.111 24.593 -20.261 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.909 26.731 -18.101 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.182 25.138 -18.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.510 26.569 -18.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.011 25.805 -20.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.513 27.394 -19.835 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.187 23.100 -22.976 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.938 21.692 -22.692 1.00 0.00 C ATOM 1663 C VAL A 106 0.513 21.462 -22.282 1.00 0.00 C ATOM 1664 O VAL A 106 1.437 21.825 -23.008 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.262 20.807 -23.911 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.466 21.260 -25.126 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -0.984 19.345 -23.597 1.00 0.00 C ATOM 0 H VAL A 106 -0.517 23.526 -23.616 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.594 21.415 -21.867 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.322 20.910 -24.141 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.708 20.624 -25.977 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.719 22.294 -25.362 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.600 21.188 -24.910 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.218 18.735 -24.469 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.068 19.222 -23.340 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.602 19.029 -22.757 1.00 0.00 H new ATOM 1677 N GLU A 107 0.703 20.856 -21.115 1.00 0.00 N ATOM 1678 CA GLU A 107 2.042 20.578 -20.608 1.00 0.00 C ATOM 1679 C GLU A 107 2.139 19.149 -20.083 1.00 0.00 C ATOM 1680 O GLU A 107 1.443 18.772 -19.139 1.00 0.00 O ATOM 1681 CB GLU A 107 2.407 21.567 -19.499 1.00 0.00 C ATOM 1682 CG GLU A 107 1.437 21.555 -18.330 1.00 0.00 C ATOM 1683 CD GLU A 107 1.554 22.792 -17.461 1.00 0.00 C ATOM 1684 OE1 GLU A 107 1.998 23.839 -17.978 1.00 0.00 O ATOM 1685 OE2 GLU A 107 1.203 22.714 -16.266 1.00 0.00 O ATOM 0 H GLU A 107 -0.052 20.548 -20.503 1.00 0.00 H new ATOM 0 HA GLU A 107 2.746 20.692 -21.432 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.407 21.336 -19.133 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.445 22.572 -19.918 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.418 21.477 -18.709 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.619 20.669 -17.721 1.00 0.00 H new ATOM 1692 N THR A 108 3.008 18.355 -20.702 1.00 0.00 N ATOM 1693 CA THR A 108 3.196 16.967 -20.300 1.00 0.00 C ATOM 1694 C THR A 108 4.557 16.764 -19.644 1.00 0.00 C ATOM 1695 O THR A 108 5.596 16.947 -20.279 1.00 0.00 O ATOM 1696 CB THR A 108 3.070 16.012 -21.502 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.094 16.295 -22.462 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.704 16.142 -22.156 1.00 0.00 C ATOM 0 H THR A 108 3.593 18.650 -21.484 1.00 0.00 H new ATOM 0 HA THR A 108 2.411 16.738 -19.580 1.00 0.00 H new ATOM 0 HB THR A 108 3.185 14.990 -21.140 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.855 16.720 -22.013 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.639 15.458 -23.002 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.928 15.897 -21.431 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.564 17.165 -22.505 1.00 0.00 H new ATOM 1706 N ASP A 109 4.544 16.385 -18.371 1.00 0.00 N ATOM 1707 CA ASP A 109 5.779 16.155 -17.629 1.00 0.00 C ATOM 1708 C ASP A 109 6.544 14.966 -18.202 1.00 0.00 C ATOM 1709 O ASP A 109 6.213 13.812 -17.928 1.00 0.00 O ATOM 1710 CB ASP A 109 5.473 15.916 -16.150 1.00 0.00 C ATOM 1711 CG ASP A 109 6.727 15.881 -15.298 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.833 16.008 -15.864 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.602 15.728 -14.065 1.00 0.00 O ATOM 0 H ASP A 109 3.693 16.230 -17.831 1.00 0.00 H new ATOM 0 HA ASP A 109 6.402 17.044 -17.724 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.812 16.703 -15.787 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.936 14.974 -16.041 1.00 0.00 H new