USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1120 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 92 SER OG : rot -87:sc= -0.113 USER MOD Set 1.2: A 142 LYS NZ :NH3+ -155:sc= 2.69 (180deg=1.32) USER MOD Set 2.1: A 90 SER OG : rot 180:sc= -0.572 USER MOD Set 2.2: A 93 LYS NZ :NH3+ -115:sc= 0.153 (180deg=0) USER MOD Set 3.1: A 18 HIS : no HE2:sc= -0.547 K(o=0.73,f=-5!) USER MOD Set 3.2: A 74 SER OG : rot -175:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.952 (180deg=0.193) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 6 ASN : amide:sc= 0.00451 K(o=0.0045,f=-0.78) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.06) USER MOD Single : A 21 ASN : amide:sc= -2.74! C(o=-2.7!,f=-2.1!) USER MOD Single : A 24 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.42) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.586! C(o=0.59!,f=-4.2!) USER MOD Single : A 38 ASN : amide:sc= -2.2 K(o=-2.2,f=-6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 48 THR OG1 : rot -110:sc= 0.978 USER MOD Single : A 49 MET CE :methyl 155:sc= -5.57! (180deg=-6.59!) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0.834 (180deg=0.813) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.18) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 70 MET CE :methyl 144:sc= -0.31 (180deg=-2.26) USER MOD Single : A 72 SER OG : rot -88:sc= 1.27 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -160:sc= -0.123 (180deg=-0.727) USER MOD Single : A 77 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 78 GLN : amide:sc= -0.0449 K(o=-0.045,f=-2.7!) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.0513 (180deg=-0.42) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= 0.372 (180deg=0.0544) USER MOD Single : A 87 THR OG1 : rot 138:sc= 0.0762 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00475 USER MOD Single : A 98 MET CE :methyl -142:sc= 0 (180deg=-1.27) USER MOD Single : A 99 MET CE :methyl 163:sc= -0.12 (180deg=-0.625) USER MOD Single : A 100 GLN : amide:sc= 0.0529 X(o=0.053,f=-0.087) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= -0.0017 (180deg=-0.0937) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -52:sc= 0.18 USER MOD Single : A 117 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.17) USER MOD Single : A 120 SER OG : rot -26:sc= 0.0898 USER MOD Single : A 121 LYS NZ :NH3+ 165:sc= -0.0175 (180deg=-0.256) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 35:sc= -0.454 USER MOD Single : A 132 SER OG : rot 82:sc= 1.16 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -165:sc= -0.0958 (180deg=-0.476) USER MOD Single : A 147 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.927 -17.599 17.078 1.00 0.00 N ATOM 2 CA MET A 1 -3.889 -17.507 15.954 1.00 0.00 C ATOM 3 C MET A 1 -5.315 -17.586 16.476 1.00 0.00 C ATOM 4 O MET A 1 -6.184 -16.816 16.061 1.00 0.00 O ATOM 5 CB MET A 1 -3.661 -18.634 14.935 1.00 0.00 C ATOM 6 CG MET A 1 -2.303 -18.599 14.249 1.00 0.00 C ATOM 7 SD MET A 1 -0.952 -19.088 15.337 1.00 0.00 S ATOM 8 CE MET A 1 0.449 -18.914 14.233 1.00 0.00 C ATOM 0 H1 MET A 1 -2.428 -16.693 17.183 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.439 -17.816 17.957 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.238 -18.353 16.884 1.00 0.00 H new ATOM 0 HA MET A 1 -3.730 -16.549 15.459 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.774 -19.593 15.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.440 -18.582 14.174 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.322 -19.261 13.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.116 -17.592 13.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.364 -19.182 14.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.320 -19.573 13.374 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.516 -17.881 13.891 1.00 0.00 H new ATOM 20 N SER A 2 -5.550 -18.521 17.388 1.00 0.00 N ATOM 21 CA SER A 2 -6.865 -18.708 17.975 1.00 0.00 C ATOM 22 C SER A 2 -7.213 -17.548 18.908 1.00 0.00 C ATOM 23 O SER A 2 -6.669 -17.432 20.010 1.00 0.00 O ATOM 24 CB SER A 2 -6.903 -20.035 18.733 1.00 0.00 C ATOM 25 OG SER A 2 -6.450 -21.098 17.907 1.00 0.00 O ATOM 0 H SER A 2 -4.840 -19.164 17.737 1.00 0.00 H new ATOM 0 HA SER A 2 -7.607 -18.730 17.177 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.279 -19.969 19.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.919 -20.238 19.071 1.00 0.00 H new ATOM 0 HG SER A 2 -6.480 -21.939 18.410 1.00 0.00 H new ATOM 31 N PHE A 3 -8.093 -16.677 18.437 1.00 0.00 N ATOM 32 CA PHE A 3 -8.548 -15.531 19.215 1.00 0.00 C ATOM 33 C PHE A 3 -9.811 -14.959 18.586 1.00 0.00 C ATOM 34 O PHE A 3 -10.923 -15.240 19.037 1.00 0.00 O ATOM 35 CB PHE A 3 -7.452 -14.458 19.289 1.00 0.00 C ATOM 36 CG PHE A 3 -7.819 -13.255 20.118 1.00 0.00 C ATOM 37 CD1 PHE A 3 -7.906 -13.347 21.498 1.00 0.00 C ATOM 38 CD2 PHE A 3 -8.079 -12.033 19.516 1.00 0.00 C ATOM 39 CE1 PHE A 3 -8.243 -12.245 22.261 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.417 -10.928 20.274 1.00 0.00 C ATOM 41 CZ PHE A 3 -8.500 -11.034 21.648 1.00 0.00 C ATOM 0 H PHE A 3 -8.511 -16.743 17.509 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.770 -15.857 20.231 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -6.548 -14.906 19.701 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.213 -14.129 18.278 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -7.708 -14.291 21.983 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.017 -11.944 18.442 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -8.305 -12.331 23.336 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -8.616 -9.982 19.792 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.765 -10.172 22.242 1.00 0.00 H new ATOM 51 N ASN A 4 -9.627 -14.182 17.530 1.00 0.00 N ATOM 52 CA ASN A 4 -10.735 -13.588 16.798 1.00 0.00 C ATOM 53 C ASN A 4 -10.196 -12.861 15.581 1.00 0.00 C ATOM 54 O ASN A 4 -9.167 -12.193 15.659 1.00 0.00 O ATOM 55 CB ASN A 4 -11.517 -12.604 17.676 1.00 0.00 C ATOM 56 CG ASN A 4 -12.718 -12.021 16.958 1.00 0.00 C ATOM 57 OD1 ASN A 4 -13.331 -12.672 16.112 1.00 0.00 O ATOM 58 ND2 ASN A 4 -13.059 -10.788 17.286 1.00 0.00 N ATOM 0 H ASN A 4 -8.708 -13.946 17.157 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.413 -14.385 16.492 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.849 -13.113 18.581 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.856 -11.796 17.989 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.856 -10.342 16.833 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.525 -10.282 17.992 1.00 0.00 H new ATOM 65 N ALA A 5 -10.872 -13.005 14.457 1.00 0.00 N ATOM 66 CA ALA A 5 -10.465 -12.317 13.251 1.00 0.00 C ATOM 67 C ALA A 5 -11.225 -11.006 13.106 1.00 0.00 C ATOM 68 O ALA A 5 -12.375 -10.983 12.668 1.00 0.00 O ATOM 69 CB ALA A 5 -10.662 -13.204 12.031 1.00 0.00 C ATOM 0 H ALA A 5 -11.702 -13.590 14.356 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.402 -12.086 13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -10.350 -12.666 11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.063 -14.109 12.138 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.714 -13.474 11.943 1.00 0.00 H new ATOM 75 N ASN A 6 -10.575 -9.917 13.493 1.00 0.00 N ATOM 76 CA ASN A 6 -11.156 -8.581 13.371 1.00 0.00 C ATOM 77 C ASN A 6 -11.007 -8.078 11.940 1.00 0.00 C ATOM 78 O ASN A 6 -11.277 -6.917 11.635 1.00 0.00 O ATOM 79 CB ASN A 6 -10.478 -7.616 14.354 1.00 0.00 C ATOM 80 CG ASN A 6 -8.985 -7.484 14.109 1.00 0.00 C ATOM 81 OD1 ASN A 6 -8.199 -8.318 14.557 1.00 0.00 O ATOM 82 ND2 ASN A 6 -8.581 -6.425 13.424 1.00 0.00 N ATOM 0 H ASN A 6 -9.639 -9.930 13.897 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.217 -8.632 13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.944 -6.634 14.272 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.646 -7.965 15.373 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.586 -6.278 13.251 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -9.264 -5.756 13.069 1.00 0.00 H new ATOM 89 N LEU A 7 -10.587 -8.979 11.066 1.00 0.00 N ATOM 90 CA LEU A 7 -10.399 -8.667 9.663 1.00 0.00 C ATOM 91 C LEU A 7 -11.732 -8.743 8.930 1.00 0.00 C ATOM 92 O LEU A 7 -11.972 -7.991 7.992 1.00 0.00 O ATOM 93 CB LEU A 7 -9.394 -9.638 9.035 1.00 0.00 C ATOM 94 CG LEU A 7 -9.083 -9.394 7.555 1.00 0.00 C ATOM 95 CD1 LEU A 7 -8.402 -8.046 7.360 1.00 0.00 C ATOM 96 CD2 LEU A 7 -8.219 -10.519 7.003 1.00 0.00 C ATOM 0 H LEU A 7 -10.368 -9.945 11.311 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.006 -7.654 9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.462 -9.585 9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.776 -10.653 9.146 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.023 -9.379 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.191 -7.895 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.058 -7.252 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.469 -8.025 7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.006 -10.332 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.283 -10.566 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.748 -11.467 7.103 1.00 0.00 H new ATOM 108 N ASP A 8 -12.601 -9.643 9.389 1.00 0.00 N ATOM 109 CA ASP A 8 -13.924 -9.830 8.787 1.00 0.00 C ATOM 110 C ASP A 8 -14.699 -8.524 8.754 1.00 0.00 C ATOM 111 O ASP A 8 -15.263 -8.147 7.728 1.00 0.00 O ATOM 112 CB ASP A 8 -14.730 -10.870 9.569 1.00 0.00 C ATOM 113 CG ASP A 8 -14.179 -12.271 9.430 1.00 0.00 C ATOM 114 OD1 ASP A 8 -13.158 -12.577 10.077 1.00 0.00 O ATOM 115 OD2 ASP A 8 -14.778 -13.083 8.692 1.00 0.00 O ATOM 0 H ASP A 8 -12.412 -10.258 10.180 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.772 -10.179 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.743 -10.594 10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.763 -10.856 9.223 1.00 0.00 H new ATOM 120 N THR A 9 -14.710 -7.829 9.879 1.00 0.00 N ATOM 121 CA THR A 9 -15.413 -6.564 9.981 1.00 0.00 C ATOM 122 C THR A 9 -14.673 -5.479 9.211 1.00 0.00 C ATOM 123 O THR A 9 -15.284 -4.624 8.575 1.00 0.00 O ATOM 124 CB THR A 9 -15.576 -6.141 11.455 1.00 0.00 C ATOM 125 OG1 THR A 9 -14.343 -6.349 12.159 1.00 0.00 O ATOM 126 CG2 THR A 9 -16.692 -6.931 12.127 1.00 0.00 C ATOM 0 H THR A 9 -14.239 -8.121 10.735 1.00 0.00 H new ATOM 0 HA THR A 9 -16.404 -6.696 9.546 1.00 0.00 H new ATOM 0 HB THR A 9 -15.838 -5.083 11.482 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.451 -6.077 13.094 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.787 -6.615 13.166 1.00 0.00 H new ATOM 0 HG22 THR A 9 -17.631 -6.750 11.605 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.457 -7.995 12.092 1.00 0.00 H new ATOM 134 N LEU A 10 -13.351 -5.553 9.242 1.00 0.00 N ATOM 135 CA LEU A 10 -12.504 -4.550 8.618 1.00 0.00 C ATOM 136 C LEU A 10 -12.590 -4.615 7.093 1.00 0.00 C ATOM 137 O LEU A 10 -12.890 -3.621 6.445 1.00 0.00 O ATOM 138 CB LEU A 10 -11.059 -4.745 9.103 1.00 0.00 C ATOM 139 CG LEU A 10 -10.036 -3.701 8.637 1.00 0.00 C ATOM 140 CD1 LEU A 10 -8.938 -3.542 9.678 1.00 0.00 C ATOM 141 CD2 LEU A 10 -9.419 -4.101 7.304 1.00 0.00 C ATOM 0 H LEU A 10 -12.838 -6.307 9.699 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.852 -3.559 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.063 -4.756 10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.718 -5.727 8.775 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.557 -2.752 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.218 -2.799 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.376 -3.216 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.433 -4.497 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.697 -3.345 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.915 -5.062 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.202 -4.184 6.551 1.00 0.00 H new ATOM 153 N TYR A 11 -12.361 -5.794 6.527 1.00 0.00 N ATOM 154 CA TYR A 11 -12.241 -5.936 5.083 1.00 0.00 C ATOM 155 C TYR A 11 -13.590 -5.762 4.400 1.00 0.00 C ATOM 156 O TYR A 11 -13.655 -5.245 3.292 1.00 0.00 O ATOM 157 CB TYR A 11 -11.596 -7.285 4.704 1.00 0.00 C ATOM 158 CG TYR A 11 -12.563 -8.428 4.447 1.00 0.00 C ATOM 159 CD1 TYR A 11 -13.056 -9.203 5.488 1.00 0.00 C ATOM 160 CD2 TYR A 11 -12.970 -8.740 3.153 1.00 0.00 C ATOM 161 CE1 TYR A 11 -13.925 -10.253 5.251 1.00 0.00 C ATOM 162 CE2 TYR A 11 -13.840 -9.786 2.909 1.00 0.00 C ATOM 163 CZ TYR A 11 -14.314 -10.538 3.961 1.00 0.00 C ATOM 164 OH TYR A 11 -15.180 -11.584 3.724 1.00 0.00 O ATOM 0 H TYR A 11 -12.255 -6.665 7.047 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.583 -5.144 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.990 -7.139 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.918 -7.580 5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.756 -8.982 6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.599 -8.154 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.296 -10.846 6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.147 -10.012 1.898 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.356 -11.652 2.762 1.00 0.00 H new ATOM 174 N ARG A 12 -14.669 -6.167 5.062 1.00 0.00 N ATOM 175 CA ARG A 12 -15.994 -5.982 4.489 1.00 0.00 C ATOM 176 C ARG A 12 -16.341 -4.502 4.429 1.00 0.00 C ATOM 177 O ARG A 12 -17.059 -4.061 3.534 1.00 0.00 O ATOM 178 CB ARG A 12 -17.059 -6.770 5.256 1.00 0.00 C ATOM 179 CG ARG A 12 -17.053 -8.252 4.918 1.00 0.00 C ATOM 180 CD ARG A 12 -18.300 -8.965 5.422 1.00 0.00 C ATOM 181 NE ARG A 12 -18.308 -9.146 6.874 1.00 0.00 N ATOM 182 CZ ARG A 12 -18.091 -10.318 7.477 1.00 0.00 C ATOM 183 NH1 ARG A 12 -17.810 -11.400 6.760 1.00 0.00 N ATOM 184 NH2 ARG A 12 -18.173 -10.416 8.795 1.00 0.00 N ATOM 0 H ARG A 12 -14.653 -6.617 5.977 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.978 -6.375 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -16.896 -6.646 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -18.042 -6.355 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.978 -8.376 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.169 -8.718 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -19.181 -8.395 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -18.375 -9.940 4.940 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.490 -8.331 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.759 -11.339 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.645 -12.292 7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.403 -9.594 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.006 -11.313 9.251 1.00 0.00 H new ATOM 198 N GLN A 13 -15.808 -3.734 5.373 1.00 0.00 N ATOM 199 CA GLN A 13 -15.950 -2.286 5.334 1.00 0.00 C ATOM 200 C GLN A 13 -14.970 -1.681 4.333 1.00 0.00 C ATOM 201 O GLN A 13 -15.312 -0.742 3.615 1.00 0.00 O ATOM 202 CB GLN A 13 -15.745 -1.672 6.721 1.00 0.00 C ATOM 203 CG GLN A 13 -16.883 -1.960 7.685 1.00 0.00 C ATOM 204 CD GLN A 13 -16.694 -1.290 9.029 1.00 0.00 C ATOM 205 OE1 GLN A 13 -15.569 -1.104 9.493 1.00 0.00 O ATOM 206 NE2 GLN A 13 -17.796 -0.904 9.653 1.00 0.00 N ATOM 0 H GLN A 13 -15.277 -4.088 6.169 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.966 -2.057 5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.816 -2.053 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.630 -0.593 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.821 -1.623 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.968 -3.037 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.708 -1.079 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.733 -0.432 10.555 1.00 0.00 H new ATOM 215 N VAL A 14 -13.757 -2.233 4.271 1.00 0.00 N ATOM 216 CA VAL A 14 -12.758 -1.758 3.315 1.00 0.00 C ATOM 217 C VAL A 14 -13.237 -1.968 1.882 1.00 0.00 C ATOM 218 O VAL A 14 -13.177 -1.058 1.062 1.00 0.00 O ATOM 219 CB VAL A 14 -11.387 -2.444 3.518 1.00 0.00 C ATOM 220 CG1 VAL A 14 -10.430 -2.104 2.385 1.00 0.00 C ATOM 221 CG2 VAL A 14 -10.781 -2.028 4.847 1.00 0.00 C ATOM 0 H VAL A 14 -13.446 -3.001 4.865 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.628 -0.691 3.497 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.549 -3.522 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.474 -2.600 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.852 -2.443 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.277 -1.025 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.816 -2.519 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.643 -0.947 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.448 -2.320 5.658 1.00 0.00 H new ATOM 231 N ILE A 15 -13.735 -3.163 1.593 1.00 0.00 N ATOM 232 CA ILE A 15 -14.253 -3.479 0.265 1.00 0.00 C ATOM 233 C ILE A 15 -15.463 -2.605 -0.063 1.00 0.00 C ATOM 234 O ILE A 15 -15.639 -2.176 -1.206 1.00 0.00 O ATOM 235 CB ILE A 15 -14.635 -4.975 0.151 1.00 0.00 C ATOM 236 CG1 ILE A 15 -13.390 -5.854 0.315 1.00 0.00 C ATOM 237 CG2 ILE A 15 -15.324 -5.270 -1.175 1.00 0.00 C ATOM 238 CD1 ILE A 15 -12.287 -5.542 -0.674 1.00 0.00 C ATOM 0 H ILE A 15 -13.792 -3.932 2.261 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.461 -3.273 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.338 -5.206 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.003 -5.734 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.678 -6.900 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.580 -6.328 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.233 -4.673 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.653 -5.020 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.440 -6.204 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.656 -5.690 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.970 -4.506 -0.551 1.00 0.00 H new ATOM 250 N MET A 16 -16.273 -2.327 0.953 1.00 0.00 N ATOM 251 CA MET A 16 -17.446 -1.472 0.800 1.00 0.00 C ATOM 252 C MET A 16 -17.035 -0.059 0.400 1.00 0.00 C ATOM 253 O MET A 16 -17.517 0.480 -0.596 1.00 0.00 O ATOM 254 CB MET A 16 -18.246 -1.436 2.105 1.00 0.00 C ATOM 255 CG MET A 16 -19.456 -0.519 2.067 1.00 0.00 C ATOM 256 SD MET A 16 -20.342 -0.480 3.636 1.00 0.00 S ATOM 257 CE MET A 16 -21.640 0.693 3.255 1.00 0.00 C ATOM 0 H MET A 16 -16.137 -2.684 1.899 1.00 0.00 H new ATOM 0 HA MET A 16 -18.072 -1.886 0.010 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.577 -2.447 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.588 -1.117 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 16 -19.135 0.490 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 16 -20.133 -0.849 1.279 1.00 0.00 H new ATOM 0 HE1 MET A 16 -22.277 0.827 4.129 1.00 0.00 H new ATOM 0 HE2 MET A 16 -21.196 1.650 2.979 1.00 0.00 H new ATOM 0 HE3 MET A 16 -22.238 0.317 2.424 1.00 0.00 H new ATOM 267 N ASP A 17 -16.124 0.531 1.165 1.00 0.00 N ATOM 268 CA ASP A 17 -15.663 1.888 0.888 1.00 0.00 C ATOM 269 C ASP A 17 -14.827 1.914 -0.390 1.00 0.00 C ATOM 270 O ASP A 17 -14.766 2.925 -1.086 1.00 0.00 O ATOM 271 CB ASP A 17 -14.853 2.434 2.065 1.00 0.00 C ATOM 272 CG ASP A 17 -14.615 3.930 1.962 1.00 0.00 C ATOM 273 OD1 ASP A 17 -13.619 4.338 1.336 1.00 0.00 O ATOM 274 OD2 ASP A 17 -15.432 4.707 2.511 1.00 0.00 O ATOM 0 H ASP A 17 -15.691 0.094 1.979 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.536 2.525 0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.378 2.216 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.894 1.919 2.112 1.00 0.00 H new ATOM 279 N HIS A 18 -14.202 0.782 -0.704 1.00 0.00 N ATOM 280 CA HIS A 18 -13.417 0.644 -1.928 1.00 0.00 C ATOM 281 C HIS A 18 -14.329 0.555 -3.148 1.00 0.00 C ATOM 282 O HIS A 18 -13.892 0.767 -4.270 1.00 0.00 O ATOM 283 CB HIS A 18 -12.504 -0.587 -1.856 1.00 0.00 C ATOM 284 CG HIS A 18 -11.608 -0.744 -3.046 1.00 0.00 C ATOM 285 ND1 HIS A 18 -11.643 -1.847 -3.869 1.00 0.00 N ATOM 286 CD2 HIS A 18 -10.646 0.065 -3.544 1.00 0.00 C ATOM 287 CE1 HIS A 18 -10.738 -1.711 -4.821 1.00 0.00 C ATOM 288 NE2 HIS A 18 -10.121 -0.560 -4.646 1.00 0.00 N ATOM 0 H HIS A 18 -14.224 -0.057 -0.124 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.792 1.531 -2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.891 -0.521 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.121 -1.480 -1.757 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.270 -2.644 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.347 1.024 -3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.538 -2.422 -5.609 1.00 0.00 H new ATOM 297 N TYR A 19 -15.589 0.219 -2.924 1.00 0.00 N ATOM 298 CA TYR A 19 -16.577 0.212 -3.996 1.00 0.00 C ATOM 299 C TYR A 19 -17.097 1.627 -4.207 1.00 0.00 C ATOM 300 O TYR A 19 -17.603 1.979 -5.273 1.00 0.00 O ATOM 301 CB TYR A 19 -17.724 -0.729 -3.643 1.00 0.00 C ATOM 302 CG TYR A 19 -18.786 -0.839 -4.714 1.00 0.00 C ATOM 303 CD1 TYR A 19 -18.532 -1.508 -5.904 1.00 0.00 C ATOM 304 CD2 TYR A 19 -20.040 -0.263 -4.538 1.00 0.00 C ATOM 305 CE1 TYR A 19 -19.499 -1.605 -6.885 1.00 0.00 C ATOM 306 CE2 TYR A 19 -21.010 -0.356 -5.514 1.00 0.00 C ATOM 307 CZ TYR A 19 -20.735 -1.024 -6.685 1.00 0.00 C ATOM 308 OH TYR A 19 -21.700 -1.117 -7.663 1.00 0.00 O ATOM 0 H TYR A 19 -15.954 -0.053 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.114 -0.141 -4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.318 -1.721 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.190 -0.386 -2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.564 -1.959 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.258 0.266 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.289 -2.133 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.980 0.093 -5.360 1.00 0.00 H new ATOM 0 HH TYR A 19 -22.512 -0.657 -7.366 1.00 0.00 H new ATOM 318 N LYS A 20 -16.957 2.428 -3.162 1.00 0.00 N ATOM 319 CA LYS A 20 -17.329 3.834 -3.197 1.00 0.00 C ATOM 320 C LYS A 20 -16.328 4.627 -4.036 1.00 0.00 C ATOM 321 O LYS A 20 -16.621 5.732 -4.498 1.00 0.00 O ATOM 322 CB LYS A 20 -17.363 4.383 -1.767 1.00 0.00 C ATOM 323 CG LYS A 20 -17.791 5.836 -1.658 1.00 0.00 C ATOM 324 CD LYS A 20 -17.397 6.424 -0.314 1.00 0.00 C ATOM 325 CE LYS A 20 -15.888 6.575 -0.198 1.00 0.00 C ATOM 326 NZ LYS A 20 -15.477 7.052 1.147 1.00 0.00 N ATOM 0 H LYS A 20 -16.582 2.121 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 20 -18.315 3.933 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.043 3.772 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.372 4.276 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.332 6.414 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.871 5.911 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.873 7.396 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.763 5.782 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.411 5.617 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.535 7.276 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.536 7.490 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.164 7.753 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.443 6.248 1.805 1.00 0.00 H new ATOM 340 N ASN A 21 -15.149 4.055 -4.235 1.00 0.00 N ATOM 341 CA ASN A 21 -14.075 4.756 -4.932 1.00 0.00 C ATOM 342 C ASN A 21 -13.442 3.852 -5.997 1.00 0.00 C ATOM 343 O ASN A 21 -13.843 2.698 -6.132 1.00 0.00 O ATOM 344 CB ASN A 21 -13.028 5.266 -3.921 1.00 0.00 C ATOM 345 CG ASN A 21 -12.052 4.204 -3.438 1.00 0.00 C ATOM 346 OD1 ASN A 21 -10.995 4.003 -4.029 1.00 0.00 O ATOM 347 ND2 ASN A 21 -12.376 3.543 -2.339 1.00 0.00 N ATOM 0 H ASN A 21 -14.910 3.113 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.492 5.622 -5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.464 6.079 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.547 5.684 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.739 2.842 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.262 3.734 -1.872 1.00 0.00 H new ATOM 354 N PRO A 22 -12.492 4.380 -6.808 1.00 0.00 N ATOM 355 CA PRO A 22 -11.769 3.595 -7.823 1.00 0.00 C ATOM 356 C PRO A 22 -11.347 2.197 -7.358 1.00 0.00 C ATOM 357 O PRO A 22 -10.847 2.009 -6.248 1.00 0.00 O ATOM 358 CB PRO A 22 -10.540 4.454 -8.095 1.00 0.00 C ATOM 359 CG PRO A 22 -11.016 5.852 -7.907 1.00 0.00 C ATOM 360 CD PRO A 22 -12.077 5.800 -6.836 1.00 0.00 C ATOM 0 HA PRO A 22 -12.399 3.398 -8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -9.728 4.215 -7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.160 4.296 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.195 6.505 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.421 6.253 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.685 6.120 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.915 6.456 -7.073 1.00 0.00 H new ATOM 368 N ARG A 23 -11.543 1.222 -8.233 1.00 0.00 N ATOM 369 CA ARG A 23 -11.215 -0.163 -7.936 1.00 0.00 C ATOM 370 C ARG A 23 -9.996 -0.614 -8.735 1.00 0.00 C ATOM 371 O ARG A 23 -9.379 0.181 -9.448 1.00 0.00 O ATOM 372 CB ARG A 23 -12.406 -1.068 -8.246 1.00 0.00 C ATOM 373 CG ARG A 23 -13.615 -0.821 -7.362 1.00 0.00 C ATOM 374 CD ARG A 23 -14.832 -1.580 -7.862 1.00 0.00 C ATOM 375 NE ARG A 23 -14.601 -3.025 -7.936 1.00 0.00 N ATOM 376 CZ ARG A 23 -15.351 -3.859 -8.660 1.00 0.00 C ATOM 377 NH1 ARG A 23 -16.324 -3.382 -9.433 1.00 0.00 N ATOM 378 NH2 ARG A 23 -15.113 -5.165 -8.631 1.00 0.00 N ATOM 0 H ARG A 23 -11.932 1.368 -9.164 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.980 -0.237 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.695 -0.927 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.097 -2.108 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.389 -1.126 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.836 0.246 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.676 -1.384 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.108 -1.208 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.823 -3.416 -7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.498 -2.378 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.896 -4.021 -9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.356 -5.533 -8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.687 -5.800 -9.185 1.00 0.00 H new ATOM 392 N ASN A 24 -9.675 -1.896 -8.639 1.00 0.00 N ATOM 393 CA ASN A 24 -8.452 -2.429 -9.217 1.00 0.00 C ATOM 394 C ASN A 24 -8.607 -2.718 -10.706 1.00 0.00 C ATOM 395 O ASN A 24 -9.035 -3.803 -11.100 1.00 0.00 O ATOM 396 CB ASN A 24 -8.018 -3.696 -8.479 1.00 0.00 C ATOM 397 CG ASN A 24 -7.523 -3.424 -7.071 1.00 0.00 C ATOM 398 OD1 ASN A 24 -7.941 -2.470 -6.417 1.00 0.00 O ATOM 399 ND2 ASN A 24 -6.642 -4.281 -6.583 1.00 0.00 N ATOM 0 H ASN A 24 -10.250 -2.590 -8.162 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.681 -1.667 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.858 -4.389 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.228 -4.188 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.286 -4.162 -5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.318 -5.061 -7.155 1.00 0.00 H new ATOM 406 N LYS A 25 -8.292 -1.719 -11.517 1.00 0.00 N ATOM 407 CA LYS A 25 -8.240 -1.871 -12.969 1.00 0.00 C ATOM 408 C LYS A 25 -7.464 -0.713 -13.591 1.00 0.00 C ATOM 409 O LYS A 25 -7.580 -0.444 -14.786 1.00 0.00 O ATOM 410 CB LYS A 25 -9.647 -1.919 -13.572 1.00 0.00 C ATOM 411 CG LYS A 25 -10.462 -0.655 -13.339 1.00 0.00 C ATOM 412 CD LYS A 25 -11.598 -0.527 -14.342 1.00 0.00 C ATOM 413 CE LYS A 25 -12.536 -1.721 -14.294 1.00 0.00 C ATOM 414 NZ LYS A 25 -13.594 -1.632 -15.332 1.00 0.00 N ATOM 0 H LYS A 25 -8.065 -0.780 -11.190 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.735 -2.812 -13.187 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.566 -2.095 -14.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.184 -2.768 -13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.869 -0.665 -12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.811 0.216 -13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.160 0.384 -14.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.186 -0.430 -15.346 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.964 -2.638 -14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.998 -1.781 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.214 -2.464 -15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.155 -0.769 -15.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.154 -1.600 -16.274 1.00 0.00 H new ATOM 428 N GLY A 26 -6.656 -0.044 -12.780 1.00 0.00 N ATOM 429 CA GLY A 26 -5.990 1.160 -13.234 1.00 0.00 C ATOM 430 C GLY A 26 -4.566 0.918 -13.692 1.00 0.00 C ATOM 431 O GLY A 26 -3.741 0.409 -12.935 1.00 0.00 O ATOM 0 H GLY A 26 -6.450 -0.313 -11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.560 1.595 -14.055 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.986 1.892 -12.426 1.00 0.00 H new ATOM 435 N VAL A 27 -4.279 1.290 -14.931 1.00 0.00 N ATOM 436 CA VAL A 27 -2.931 1.203 -15.468 1.00 0.00 C ATOM 437 C VAL A 27 -2.469 2.574 -15.962 1.00 0.00 C ATOM 438 O VAL A 27 -2.802 2.989 -17.074 1.00 0.00 O ATOM 439 CB VAL A 27 -2.836 0.191 -16.635 1.00 0.00 C ATOM 440 CG1 VAL A 27 -1.397 0.056 -17.115 1.00 0.00 C ATOM 441 CG2 VAL A 27 -3.392 -1.164 -16.224 1.00 0.00 C ATOM 0 H VAL A 27 -4.968 1.658 -15.587 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.287 0.857 -14.659 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.439 0.570 -17.460 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.353 -0.660 -17.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.036 1.025 -17.459 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.771 -0.294 -16.294 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.314 -1.858 -17.061 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.822 -1.550 -15.378 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.438 -1.056 -15.938 1.00 0.00 H new ATOM 451 N LEU A 28 -1.722 3.281 -15.127 1.00 0.00 N ATOM 452 CA LEU A 28 -1.206 4.592 -15.494 1.00 0.00 C ATOM 453 C LEU A 28 0.186 4.452 -16.097 1.00 0.00 C ATOM 454 O LEU A 28 1.191 4.468 -15.387 1.00 0.00 O ATOM 455 CB LEU A 28 -1.171 5.519 -14.276 1.00 0.00 C ATOM 456 CG LEU A 28 -0.714 6.951 -14.554 1.00 0.00 C ATOM 457 CD1 LEU A 28 -1.652 7.629 -15.540 1.00 0.00 C ATOM 458 CD2 LEU A 28 -0.649 7.738 -13.257 1.00 0.00 C ATOM 0 H LEU A 28 -1.460 2.970 -14.192 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.870 5.033 -16.237 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.168 5.553 -13.838 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.509 5.083 -13.528 1.00 0.00 H new ATOM 0 HG LEU A 28 0.282 6.920 -14.996 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.311 8.647 -15.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.659 7.072 -16.477 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.660 7.654 -15.125 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.322 8.757 -13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.636 7.761 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.058 7.262 -12.578 1.00 0.00 H new ATOM 470 N ASN A 29 0.230 4.303 -17.409 1.00 0.00 N ATOM 471 CA ASN A 29 1.479 4.067 -18.129 1.00 0.00 C ATOM 472 C ASN A 29 2.285 5.354 -18.313 1.00 0.00 C ATOM 473 O ASN A 29 2.719 5.675 -19.418 1.00 0.00 O ATOM 474 CB ASN A 29 1.178 3.418 -19.490 1.00 0.00 C ATOM 475 CG ASN A 29 0.054 4.102 -20.267 1.00 0.00 C ATOM 476 OD1 ASN A 29 -0.687 3.447 -20.999 1.00 0.00 O ATOM 477 ND2 ASN A 29 -0.083 5.411 -20.124 1.00 0.00 N ATOM 0 H ASN A 29 -0.594 4.341 -18.009 1.00 0.00 H new ATOM 0 HA ASN A 29 2.090 3.390 -17.532 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.084 3.430 -20.095 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.913 2.372 -19.332 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.819 5.905 -20.628 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.548 5.926 -19.509 1.00 0.00 H new ATOM 484 N ASP A 30 2.501 6.077 -17.223 1.00 0.00 N ATOM 485 CA ASP A 30 3.197 7.355 -17.289 1.00 0.00 C ATOM 486 C ASP A 30 4.523 7.320 -16.533 1.00 0.00 C ATOM 487 O ASP A 30 5.565 7.011 -17.111 1.00 0.00 O ATOM 488 CB ASP A 30 2.311 8.481 -16.743 1.00 0.00 C ATOM 489 CG ASP A 30 1.296 8.982 -17.754 1.00 0.00 C ATOM 490 OD1 ASP A 30 0.594 8.152 -18.369 1.00 0.00 O ATOM 491 OD2 ASP A 30 1.202 10.213 -17.943 1.00 0.00 O ATOM 0 H ASP A 30 2.206 5.802 -16.286 1.00 0.00 H new ATOM 0 HA ASP A 30 3.416 7.549 -18.339 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.787 8.125 -15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.942 9.312 -16.428 1.00 0.00 H new ATOM 496 N SER A 31 4.471 7.602 -15.237 1.00 0.00 N ATOM 497 CA SER A 31 5.680 7.781 -14.447 1.00 0.00 C ATOM 498 C SER A 31 6.115 6.472 -13.787 1.00 0.00 C ATOM 499 O SER A 31 6.998 5.779 -14.291 1.00 0.00 O ATOM 500 CB SER A 31 5.450 8.880 -13.399 1.00 0.00 C ATOM 501 OG SER A 31 6.602 9.110 -12.607 1.00 0.00 O ATOM 0 H SER A 31 3.604 7.711 -14.712 1.00 0.00 H new ATOM 0 HA SER A 31 6.489 8.087 -15.111 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.165 9.805 -13.901 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.618 8.597 -12.754 1.00 0.00 H new ATOM 0 HG SER A 31 6.415 9.817 -11.955 1.00 0.00 H new ATOM 507 N ILE A 32 5.485 6.130 -12.673 1.00 0.00 N ATOM 508 CA ILE A 32 5.859 4.939 -11.923 1.00 0.00 C ATOM 509 C ILE A 32 5.096 3.719 -12.420 1.00 0.00 C ATOM 510 O ILE A 32 3.878 3.761 -12.563 1.00 0.00 O ATOM 511 CB ILE A 32 5.593 5.118 -10.415 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.411 6.287 -9.866 1.00 0.00 C ATOM 513 CG2 ILE A 32 5.908 3.837 -9.651 1.00 0.00 C ATOM 514 CD1 ILE A 32 6.194 6.528 -8.390 1.00 0.00 C ATOM 0 H ILE A 32 4.713 6.660 -12.268 1.00 0.00 H new ATOM 0 HA ILE A 32 6.927 4.787 -12.080 1.00 0.00 H new ATOM 0 HB ILE A 32 4.535 5.340 -10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.469 6.096 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.153 7.192 -10.416 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.712 3.989 -8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.280 3.027 -10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.957 3.577 -9.793 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.804 7.371 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.142 6.750 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.479 5.637 -7.830 1.00 0.00 H new ATOM 526 N VAL A 33 5.820 2.642 -12.687 1.00 0.00 N ATOM 527 CA VAL A 33 5.207 1.392 -13.111 1.00 0.00 C ATOM 528 C VAL A 33 5.774 0.226 -12.302 1.00 0.00 C ATOM 529 O VAL A 33 6.816 -0.336 -12.645 1.00 0.00 O ATOM 530 CB VAL A 33 5.422 1.114 -14.620 1.00 0.00 C ATOM 531 CG1 VAL A 33 4.673 -0.143 -15.047 1.00 0.00 C ATOM 532 CG2 VAL A 33 4.990 2.307 -15.465 1.00 0.00 C ATOM 0 H VAL A 33 6.837 2.609 -12.617 1.00 0.00 H new ATOM 0 HA VAL A 33 4.136 1.488 -12.935 1.00 0.00 H new ATOM 0 HB VAL A 33 6.488 0.954 -14.783 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.837 -0.321 -16.110 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.039 -0.996 -14.476 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.607 -0.012 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.152 2.084 -16.519 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.932 2.509 -15.295 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.576 3.182 -15.185 1.00 0.00 H new ATOM 542 N VAL A 34 5.108 -0.110 -11.209 1.00 0.00 N ATOM 543 CA VAL A 34 5.523 -1.232 -10.377 1.00 0.00 C ATOM 544 C VAL A 34 4.527 -2.376 -10.512 1.00 0.00 C ATOM 545 O VAL A 34 3.347 -2.215 -10.217 1.00 0.00 O ATOM 546 CB VAL A 34 5.646 -0.827 -8.891 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.086 -2.010 -8.042 1.00 0.00 C ATOM 548 CG2 VAL A 34 6.617 0.333 -8.731 1.00 0.00 C ATOM 0 H VAL A 34 4.277 0.378 -10.876 1.00 0.00 H new ATOM 0 HA VAL A 34 6.506 -1.553 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 34 4.663 -0.506 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.166 -1.700 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.353 -2.812 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.056 -2.367 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.690 0.604 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.600 0.038 -9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.258 1.189 -9.302 1.00 0.00 H new ATOM 558 N ASP A 35 4.998 -3.518 -10.982 1.00 0.00 N ATOM 559 CA ASP A 35 4.128 -4.665 -11.200 1.00 0.00 C ATOM 560 C ASP A 35 4.647 -5.888 -10.455 1.00 0.00 C ATOM 561 O ASP A 35 5.859 -6.097 -10.354 1.00 0.00 O ATOM 562 CB ASP A 35 4.021 -4.960 -12.697 1.00 0.00 C ATOM 563 CG ASP A 35 3.186 -6.187 -12.994 1.00 0.00 C ATOM 564 OD1 ASP A 35 1.947 -6.065 -13.086 1.00 0.00 O ATOM 565 OD2 ASP A 35 3.768 -7.278 -13.154 1.00 0.00 O ATOM 0 H ASP A 35 5.977 -3.678 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 35 3.137 -4.428 -10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.585 -4.098 -13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.021 -5.098 -13.108 1.00 0.00 H new ATOM 570 N MET A 36 3.730 -6.695 -9.945 1.00 0.00 N ATOM 571 CA MET A 36 4.069 -7.870 -9.195 1.00 0.00 C ATOM 572 C MET A 36 2.952 -8.880 -9.377 1.00 0.00 C ATOM 573 O MET A 36 1.823 -8.518 -9.704 1.00 0.00 O ATOM 574 CB MET A 36 4.268 -7.524 -7.711 1.00 0.00 C ATOM 575 CG MET A 36 4.659 -8.709 -6.839 1.00 0.00 C ATOM 576 SD MET A 36 6.157 -9.529 -7.417 1.00 0.00 S ATOM 577 CE MET A 36 6.324 -10.826 -6.193 1.00 0.00 C ATOM 0 H MET A 36 2.727 -6.543 -10.047 1.00 0.00 H new ATOM 0 HA MET A 36 5.008 -8.291 -9.555 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.038 -6.757 -7.629 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.345 -7.092 -7.324 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.808 -8.368 -5.814 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.840 -9.428 -6.820 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.209 -11.423 -6.414 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.424 -10.381 -5.203 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.441 -11.464 -6.216 1.00 0.00 H new ATOM 587 N ASN A 37 3.283 -10.130 -9.214 1.00 0.00 N ATOM 588 CA ASN A 37 2.318 -11.210 -9.369 1.00 0.00 C ATOM 589 C ASN A 37 2.549 -12.335 -8.364 1.00 0.00 C ATOM 590 O ASN A 37 3.686 -12.703 -8.068 1.00 0.00 O ATOM 591 CB ASN A 37 2.339 -11.758 -10.808 1.00 0.00 C ATOM 592 CG ASN A 37 3.736 -11.992 -11.375 1.00 0.00 C ATOM 593 OD1 ASN A 37 3.966 -11.798 -12.571 1.00 0.00 O ATOM 594 ND2 ASN A 37 4.670 -12.432 -10.547 1.00 0.00 N ATOM 0 H ASN A 37 4.224 -10.440 -8.971 1.00 0.00 H new ATOM 0 HA ASN A 37 1.332 -10.791 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.788 -12.698 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.809 -11.060 -11.457 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.611 -12.620 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.449 -12.583 -9.563 1.00 0.00 H new ATOM 601 N ASN A 38 1.454 -12.852 -7.830 1.00 0.00 N ATOM 602 CA ASN A 38 1.473 -14.018 -6.955 1.00 0.00 C ATOM 603 C ASN A 38 0.363 -14.954 -7.416 1.00 0.00 C ATOM 604 O ASN A 38 -0.795 -14.757 -7.064 1.00 0.00 O ATOM 605 CB ASN A 38 1.281 -13.599 -5.480 1.00 0.00 C ATOM 606 CG ASN A 38 1.301 -14.758 -4.483 1.00 0.00 C ATOM 607 OD1 ASN A 38 0.916 -15.883 -4.800 1.00 0.00 O ATOM 608 ND2 ASN A 38 1.746 -14.487 -3.254 1.00 0.00 N ATOM 0 H ASN A 38 0.521 -12.474 -7.991 1.00 0.00 H new ATOM 0 HA ASN A 38 2.436 -14.526 -7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.066 -12.892 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.331 -13.072 -5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.773 -15.223 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.059 -13.544 -3.021 1.00 0.00 H new ATOM 615 N PRO A 39 0.725 -15.973 -8.221 1.00 0.00 N ATOM 616 CA PRO A 39 -0.201 -16.827 -8.975 1.00 0.00 C ATOM 617 C PRO A 39 -1.617 -16.937 -8.397 1.00 0.00 C ATOM 618 O PRO A 39 -2.586 -16.492 -9.020 1.00 0.00 O ATOM 619 CB PRO A 39 0.511 -18.172 -8.926 1.00 0.00 C ATOM 620 CG PRO A 39 1.970 -17.837 -8.940 1.00 0.00 C ATOM 621 CD PRO A 39 2.113 -16.412 -8.446 1.00 0.00 C ATOM 0 HA PRO A 39 -0.390 -16.424 -9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.242 -18.729 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.240 -18.794 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.527 -18.522 -8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.377 -17.937 -9.946 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.701 -16.364 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.617 -15.783 -9.180 1.00 0.00 H new ATOM 629 N THR A 40 -1.739 -17.506 -7.209 1.00 0.00 N ATOM 630 CA THR A 40 -3.048 -17.811 -6.652 1.00 0.00 C ATOM 631 C THR A 40 -3.409 -16.914 -5.467 1.00 0.00 C ATOM 632 O THR A 40 -4.437 -17.114 -4.819 1.00 0.00 O ATOM 633 CB THR A 40 -3.099 -19.282 -6.210 1.00 0.00 C ATOM 634 OG1 THR A 40 -1.918 -19.594 -5.454 1.00 0.00 O ATOM 635 CG2 THR A 40 -3.206 -20.209 -7.413 1.00 0.00 C ATOM 0 H THR A 40 -0.952 -17.765 -6.614 1.00 0.00 H new ATOM 0 HA THR A 40 -3.778 -17.624 -7.439 1.00 0.00 H new ATOM 0 HB THR A 40 -3.983 -19.430 -5.589 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.950 -20.531 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.240 -21.244 -7.073 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.115 -19.980 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.340 -20.068 -8.059 1.00 0.00 H new ATOM 643 N CYS A 41 -2.580 -15.921 -5.181 1.00 0.00 N ATOM 644 CA CYS A 41 -2.807 -15.077 -4.016 1.00 0.00 C ATOM 645 C CYS A 41 -2.700 -13.588 -4.360 1.00 0.00 C ATOM 646 O CYS A 41 -2.807 -12.714 -3.469 1.00 0.00 O ATOM 647 CB CYS A 41 -1.813 -15.442 -2.919 1.00 0.00 C ATOM 648 SG CYS A 41 -2.047 -14.515 -1.390 1.00 0.00 S ATOM 0 H CYS A 41 -1.755 -15.681 -5.731 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.823 -15.254 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.898 -16.507 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.801 -15.270 -3.286 1.00 0.00 H new ATOM 654 N GLY A 42 -2.509 -13.305 -5.634 1.00 0.00 N ATOM 655 CA GLY A 42 -2.316 -11.946 -6.098 1.00 0.00 C ATOM 656 C GLY A 42 -1.826 -11.927 -7.531 1.00 0.00 C ATOM 657 O GLY A 42 -0.755 -11.403 -7.818 1.00 0.00 O ATOM 0 H GLY A 42 -2.483 -14.007 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.254 -11.396 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.596 -11.438 -5.457 1.00 0.00 H new ATOM 661 N ASP A 43 -2.625 -12.537 -8.400 1.00 0.00 N ATOM 662 CA ASP A 43 -2.336 -12.703 -9.832 1.00 0.00 C ATOM 663 C ASP A 43 -1.658 -11.489 -10.464 1.00 0.00 C ATOM 664 O ASP A 43 -0.742 -11.637 -11.270 1.00 0.00 O ATOM 665 CB ASP A 43 -3.648 -12.996 -10.565 1.00 0.00 C ATOM 666 CG ASP A 43 -3.469 -13.200 -12.056 1.00 0.00 C ATOM 667 OD1 ASP A 43 -3.031 -14.297 -12.463 1.00 0.00 O ATOM 668 OD2 ASP A 43 -3.783 -12.274 -12.832 1.00 0.00 O ATOM 0 H ASP A 43 -3.519 -12.944 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.632 -13.530 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.105 -13.888 -10.136 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.341 -12.171 -10.399 1.00 0.00 H new ATOM 673 N ARG A 44 -2.104 -10.300 -10.099 1.00 0.00 N ATOM 674 CA ARG A 44 -1.562 -9.082 -10.676 1.00 0.00 C ATOM 675 C ARG A 44 -1.621 -7.948 -9.659 1.00 0.00 C ATOM 676 O ARG A 44 -2.580 -7.851 -8.901 1.00 0.00 O ATOM 677 CB ARG A 44 -2.380 -8.705 -11.917 1.00 0.00 C ATOM 678 CG ARG A 44 -1.817 -7.548 -12.729 1.00 0.00 C ATOM 679 CD ARG A 44 -0.921 -8.029 -13.860 1.00 0.00 C ATOM 680 NE ARG A 44 0.461 -8.263 -13.436 1.00 0.00 N ATOM 681 CZ ARG A 44 1.104 -9.420 -13.587 1.00 0.00 C ATOM 682 NH1 ARG A 44 0.460 -10.492 -14.023 1.00 0.00 N ATOM 683 NH2 ARG A 44 2.396 -9.500 -13.304 1.00 0.00 N ATOM 0 H ARG A 44 -2.839 -10.152 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.522 -9.248 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.457 -9.580 -12.563 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.392 -8.451 -11.603 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.638 -6.961 -13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.250 -6.887 -12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.330 -8.951 -14.272 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.929 -7.290 -14.662 1.00 0.00 H new ATOM 0 HE ARG A 44 0.963 -7.491 -12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.534 -10.435 -14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.958 -11.375 -14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.897 -8.676 -12.971 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.889 -10.385 -13.419 1.00 0.00 H new ATOM 697 N ILE A 45 -0.589 -7.124 -9.612 1.00 0.00 N ATOM 698 CA ILE A 45 -0.669 -5.862 -8.900 1.00 0.00 C ATOM 699 C ILE A 45 0.179 -4.822 -9.617 1.00 0.00 C ATOM 700 O ILE A 45 1.403 -4.778 -9.481 1.00 0.00 O ATOM 701 CB ILE A 45 -0.272 -5.975 -7.403 1.00 0.00 C ATOM 702 CG1 ILE A 45 -0.233 -4.582 -6.758 1.00 0.00 C ATOM 703 CG2 ILE A 45 1.056 -6.694 -7.232 1.00 0.00 C ATOM 704 CD1 ILE A 45 0.155 -4.591 -5.295 1.00 0.00 C ATOM 0 H ILE A 45 0.311 -7.306 -10.057 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.714 -5.551 -8.903 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.030 -6.572 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.473 -3.959 -7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.214 -4.118 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.303 -6.755 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.981 -7.700 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.838 -6.144 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.159 -3.570 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.564 -5.186 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.149 -5.024 -5.185 1.00 0.00 H new ATOM 716 N ARG A 46 -0.478 -4.028 -10.438 1.00 0.00 N ATOM 717 CA ARG A 46 0.196 -3.005 -11.201 1.00 0.00 C ATOM 718 C ARG A 46 -0.072 -1.642 -10.589 1.00 0.00 C ATOM 719 O ARG A 46 -1.170 -1.095 -10.701 1.00 0.00 O ATOM 720 CB ARG A 46 -0.254 -3.057 -12.659 1.00 0.00 C ATOM 721 CG ARG A 46 0.644 -2.281 -13.604 1.00 0.00 C ATOM 722 CD ARG A 46 0.611 -2.886 -14.994 1.00 0.00 C ATOM 723 NE ARG A 46 1.027 -4.290 -14.980 1.00 0.00 N ATOM 724 CZ ARG A 46 1.110 -5.061 -16.063 1.00 0.00 C ATOM 725 NH1 ARG A 46 0.817 -4.571 -17.257 1.00 0.00 N ATOM 726 NH2 ARG A 46 1.496 -6.321 -15.943 1.00 0.00 N ATOM 0 H ARG A 46 -1.485 -4.075 -10.592 1.00 0.00 H new ATOM 0 HA ARG A 46 1.271 -3.183 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.292 -4.098 -12.981 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.268 -2.664 -12.731 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.322 -1.241 -13.647 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.666 -2.283 -13.226 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.397 -2.808 -15.401 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.266 -2.318 -15.654 1.00 0.00 H new ATOM 0 HE ARG A 46 1.269 -4.705 -14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.526 -3.598 -17.352 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.882 -5.166 -18.083 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.728 -6.698 -15.024 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.561 -6.915 -16.769 1.00 0.00 H new ATOM 740 N LEU A 47 0.944 -1.122 -9.934 1.00 0.00 N ATOM 741 CA LEU A 47 0.873 0.130 -9.223 1.00 0.00 C ATOM 742 C LEU A 47 1.538 1.204 -10.058 1.00 0.00 C ATOM 743 O LEU A 47 2.764 1.255 -10.174 1.00 0.00 O ATOM 744 CB LEU A 47 1.575 -0.009 -7.872 1.00 0.00 C ATOM 745 CG LEU A 47 1.570 1.239 -6.997 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.147 1.617 -6.622 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.418 1.008 -5.756 1.00 0.00 C ATOM 0 H LEU A 47 1.859 -1.569 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.167 0.405 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.103 -0.821 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.610 -0.303 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 47 2.001 2.068 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.160 2.510 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.427 1.816 -7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.315 0.797 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.409 1.905 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.012 0.171 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.442 0.782 -6.052 1.00 0.00 H new ATOM 759 N THR A 48 0.726 2.034 -10.664 1.00 0.00 N ATOM 760 CA THR A 48 1.216 3.033 -11.578 1.00 0.00 C ATOM 761 C THR A 48 0.902 4.436 -11.072 1.00 0.00 C ATOM 762 O THR A 48 -0.248 4.859 -11.061 1.00 0.00 O ATOM 763 CB THR A 48 0.609 2.793 -12.967 1.00 0.00 C ATOM 764 OG1 THR A 48 -0.753 2.360 -12.828 1.00 0.00 O ATOM 765 CG2 THR A 48 1.400 1.742 -13.732 1.00 0.00 C ATOM 0 H THR A 48 -0.286 2.036 -10.538 1.00 0.00 H new ATOM 0 HA THR A 48 2.301 2.952 -11.649 1.00 0.00 H new ATOM 0 HB THR A 48 0.646 3.728 -13.526 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.824 1.417 -13.085 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.950 1.590 -14.713 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.430 2.079 -13.854 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.388 0.803 -13.178 1.00 0.00 H new ATOM 773 N MET A 49 1.931 5.147 -10.637 1.00 0.00 N ATOM 774 CA MET A 49 1.745 6.448 -10.007 1.00 0.00 C ATOM 775 C MET A 49 2.263 7.563 -10.901 1.00 0.00 C ATOM 776 O MET A 49 3.035 7.319 -11.831 1.00 0.00 O ATOM 777 CB MET A 49 2.467 6.505 -8.661 1.00 0.00 C ATOM 778 CG MET A 49 1.944 5.513 -7.638 1.00 0.00 C ATOM 779 SD MET A 49 2.806 5.633 -6.061 1.00 0.00 S ATOM 780 CE MET A 49 1.934 4.398 -5.101 1.00 0.00 C ATOM 0 H MET A 49 2.903 4.847 -10.708 1.00 0.00 H new ATOM 0 HA MET A 49 0.676 6.587 -9.848 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.529 6.320 -8.822 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.377 7.512 -8.254 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.879 5.685 -7.481 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.049 4.501 -8.030 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.582 4.033 -4.304 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.038 4.841 -4.666 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.651 3.567 -5.748 1.00 0.00 H new ATOM 790 N LYS A 50 1.847 8.788 -10.610 1.00 0.00 N ATOM 791 CA LYS A 50 2.307 9.940 -11.350 1.00 0.00 C ATOM 792 C LYS A 50 2.779 11.004 -10.383 1.00 0.00 C ATOM 793 O LYS A 50 1.986 11.808 -9.891 1.00 0.00 O ATOM 794 CB LYS A 50 1.197 10.489 -12.251 1.00 0.00 C ATOM 795 CG LYS A 50 1.630 11.648 -13.137 1.00 0.00 C ATOM 796 CD LYS A 50 0.542 12.018 -14.133 1.00 0.00 C ATOM 797 CE LYS A 50 -0.695 12.588 -13.450 1.00 0.00 C ATOM 798 NZ LYS A 50 -0.497 13.997 -13.006 1.00 0.00 N ATOM 0 H LYS A 50 1.188 9.003 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 50 3.137 9.640 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.825 9.682 -12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.365 10.815 -11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.869 12.513 -12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.540 11.379 -13.673 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.933 12.749 -14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.263 11.135 -14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.540 12.541 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.949 11.970 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.352 14.330 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.314 14.046 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.314 14.599 -13.834 1.00 0.00 H new ATOM 812 N LEU A 51 4.057 10.965 -10.065 1.00 0.00 N ATOM 813 CA LEU A 51 4.644 11.980 -9.228 1.00 0.00 C ATOM 814 C LEU A 51 5.283 13.022 -10.127 1.00 0.00 C ATOM 815 O LEU A 51 6.223 12.737 -10.869 1.00 0.00 O ATOM 816 CB LEU A 51 5.648 11.364 -8.229 1.00 0.00 C ATOM 817 CG LEU A 51 7.044 11.001 -8.753 1.00 0.00 C ATOM 818 CD1 LEU A 51 8.026 12.138 -8.498 1.00 0.00 C ATOM 819 CD2 LEU A 51 7.538 9.725 -8.095 1.00 0.00 C ATOM 0 H LEU A 51 4.705 10.241 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 51 3.878 12.461 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.772 12.064 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.199 10.460 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 51 6.975 10.839 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.010 11.861 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.681 13.038 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.090 12.330 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.529 9.479 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.589 9.869 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.850 8.910 -8.320 1.00 0.00 H new ATOM 831 N ASP A 52 4.723 14.212 -10.117 1.00 0.00 N ATOM 832 CA ASP A 52 5.236 15.278 -10.967 1.00 0.00 C ATOM 833 C ASP A 52 5.792 16.397 -10.113 1.00 0.00 C ATOM 834 O ASP A 52 5.214 17.476 -10.010 1.00 0.00 O ATOM 835 CB ASP A 52 4.156 15.802 -11.916 1.00 0.00 C ATOM 836 CG ASP A 52 4.683 16.844 -12.885 1.00 0.00 C ATOM 837 OD1 ASP A 52 5.826 16.697 -13.366 1.00 0.00 O ATOM 838 OD2 ASP A 52 3.954 17.819 -13.170 1.00 0.00 O ATOM 0 H ASP A 52 3.922 14.470 -9.540 1.00 0.00 H new ATOM 0 HA ASP A 52 6.039 14.871 -11.581 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.737 14.968 -12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.343 16.233 -11.332 1.00 0.00 H new ATOM 843 N GLY A 53 6.889 16.098 -9.450 1.00 0.00 N ATOM 844 CA GLY A 53 7.515 17.058 -8.578 1.00 0.00 C ATOM 845 C GLY A 53 8.136 16.383 -7.381 1.00 0.00 C ATOM 846 O GLY A 53 9.164 15.719 -7.491 1.00 0.00 O ATOM 0 H GLY A 53 7.363 15.196 -9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.280 17.607 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.776 17.787 -8.245 1.00 0.00 H new ATOM 850 N ASP A 54 7.484 16.530 -6.239 1.00 0.00 N ATOM 851 CA ASP A 54 7.966 15.946 -4.991 1.00 0.00 C ATOM 852 C ASP A 54 6.811 15.282 -4.260 1.00 0.00 C ATOM 853 O ASP A 54 6.907 14.952 -3.077 1.00 0.00 O ATOM 854 CB ASP A 54 8.585 17.025 -4.092 1.00 0.00 C ATOM 855 CG ASP A 54 9.726 17.773 -4.755 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.462 18.798 -5.427 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.890 17.349 -4.608 1.00 0.00 O ATOM 0 H ASP A 54 6.613 17.052 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 54 8.730 15.205 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.811 17.737 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.948 16.561 -3.175 1.00 0.00 H new ATOM 862 N ILE A 55 5.724 15.062 -4.982 1.00 0.00 N ATOM 863 CA ILE A 55 4.492 14.618 -4.395 1.00 0.00 C ATOM 864 C ILE A 55 4.014 13.364 -5.085 1.00 0.00 C ATOM 865 O ILE A 55 4.747 12.734 -5.838 1.00 0.00 O ATOM 866 CB ILE A 55 3.402 15.711 -4.524 1.00 0.00 C ATOM 867 CG1 ILE A 55 3.511 16.461 -5.871 1.00 0.00 C ATOM 868 CG2 ILE A 55 3.496 16.691 -3.367 1.00 0.00 C ATOM 869 CD1 ILE A 55 3.385 15.585 -7.108 1.00 0.00 C ATOM 0 H ILE A 55 5.682 15.190 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 55 4.672 14.413 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 55 2.431 15.218 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.736 17.227 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.471 16.976 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.724 17.453 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.355 16.158 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.477 17.166 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.475 16.202 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.176 14.835 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.414 15.089 -7.105 1.00 0.00 H new ATOM 881 N VAL A 56 2.782 13.034 -4.825 1.00 0.00 N ATOM 882 CA VAL A 56 2.083 11.983 -5.540 1.00 0.00 C ATOM 883 C VAL A 56 0.776 12.550 -6.074 1.00 0.00 C ATOM 884 O VAL A 56 -0.151 12.813 -5.309 1.00 0.00 O ATOM 885 CB VAL A 56 1.778 10.758 -4.650 1.00 0.00 C ATOM 886 CG1 VAL A 56 1.171 9.635 -5.483 1.00 0.00 C ATOM 887 CG2 VAL A 56 3.031 10.278 -3.927 1.00 0.00 C ATOM 0 H VAL A 56 2.220 13.487 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 56 2.730 11.641 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 56 1.053 11.060 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.962 8.779 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.244 9.981 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.873 9.341 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.786 9.415 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.788 9.996 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.416 11.079 -3.296 1.00 0.00 H new ATOM 897 N GLU A 57 0.708 12.772 -7.377 1.00 0.00 N ATOM 898 CA GLU A 57 -0.477 13.375 -7.962 1.00 0.00 C ATOM 899 C GLU A 57 -1.492 12.307 -8.265 1.00 0.00 C ATOM 900 O GLU A 57 -2.644 12.379 -7.832 1.00 0.00 O ATOM 901 CB GLU A 57 -0.154 14.119 -9.252 1.00 0.00 C ATOM 902 CG GLU A 57 0.726 15.334 -9.077 1.00 0.00 C ATOM 903 CD GLU A 57 0.916 16.062 -10.381 1.00 0.00 C ATOM 904 OE1 GLU A 57 1.099 15.387 -11.415 1.00 0.00 O ATOM 905 OE2 GLU A 57 0.852 17.305 -10.388 1.00 0.00 O ATOM 0 H GLU A 57 1.449 12.547 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.872 14.089 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.335 13.429 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.088 14.428 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.280 16.006 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.696 15.030 -8.683 1.00 0.00 H new ATOM 912 N ASP A 58 -1.061 11.308 -9.006 1.00 0.00 N ATOM 913 CA ASP A 58 -1.974 10.267 -9.428 1.00 0.00 C ATOM 914 C ASP A 58 -1.402 8.896 -9.129 1.00 0.00 C ATOM 915 O ASP A 58 -0.203 8.756 -8.885 1.00 0.00 O ATOM 916 CB ASP A 58 -2.288 10.404 -10.915 1.00 0.00 C ATOM 917 CG ASP A 58 -3.683 9.921 -11.247 1.00 0.00 C ATOM 918 OD1 ASP A 58 -4.292 9.220 -10.408 1.00 0.00 O ATOM 919 OD2 ASP A 58 -4.185 10.251 -12.338 1.00 0.00 O ATOM 0 H ASP A 58 -0.099 11.195 -9.325 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.902 10.378 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.185 11.448 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.560 9.835 -11.493 1.00 0.00 H new ATOM 924 N ALA A 59 -2.267 7.899 -9.150 1.00 0.00 N ATOM 925 CA ALA A 59 -1.887 6.526 -8.873 1.00 0.00 C ATOM 926 C ALA A 59 -3.000 5.592 -9.318 1.00 0.00 C ATOM 927 O ALA A 59 -4.171 5.834 -9.022 1.00 0.00 O ATOM 928 CB ALA A 59 -1.598 6.338 -7.391 1.00 0.00 C ATOM 0 H ALA A 59 -3.258 8.019 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.978 6.291 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.315 5.302 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.782 6.997 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.490 6.580 -6.813 1.00 0.00 H new ATOM 934 N LYS A 60 -2.649 4.543 -10.040 1.00 0.00 N ATOM 935 CA LYS A 60 -3.629 3.589 -10.502 1.00 0.00 C ATOM 936 C LYS A 60 -3.196 2.187 -10.123 1.00 0.00 C ATOM 937 O LYS A 60 -2.004 1.871 -10.118 1.00 0.00 O ATOM 938 CB LYS A 60 -3.851 3.694 -12.014 1.00 0.00 C ATOM 939 CG LYS A 60 -4.809 4.805 -12.434 1.00 0.00 C ATOM 940 CD LYS A 60 -4.111 6.150 -12.556 1.00 0.00 C ATOM 941 CE LYS A 60 -5.083 7.247 -12.972 1.00 0.00 C ATOM 942 NZ LYS A 60 -5.957 7.677 -11.849 1.00 0.00 N ATOM 0 H LYS A 60 -1.690 4.334 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.579 3.816 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.889 3.857 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.235 2.742 -12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.266 4.547 -13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.616 4.881 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.652 6.411 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.306 6.079 -13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.523 8.105 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.701 6.889 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.555 8.470 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.561 6.883 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.368 7.980 -11.047 1.00 0.00 H new ATOM 956 N PHE A 61 -4.167 1.363 -9.791 1.00 0.00 N ATOM 957 CA PHE A 61 -3.902 0.025 -9.306 1.00 0.00 C ATOM 958 C PHE A 61 -4.689 -1.009 -10.097 1.00 0.00 C ATOM 959 O PHE A 61 -5.915 -1.065 -10.021 1.00 0.00 O ATOM 960 CB PHE A 61 -4.246 -0.064 -7.813 1.00 0.00 C ATOM 961 CG PHE A 61 -5.268 0.952 -7.369 1.00 0.00 C ATOM 962 CD1 PHE A 61 -6.609 0.805 -7.691 1.00 0.00 C ATOM 963 CD2 PHE A 61 -4.879 2.064 -6.638 1.00 0.00 C ATOM 964 CE1 PHE A 61 -7.537 1.748 -7.293 1.00 0.00 C ATOM 965 CE2 PHE A 61 -5.805 3.009 -6.238 1.00 0.00 C ATOM 966 CZ PHE A 61 -7.135 2.850 -6.566 1.00 0.00 C ATOM 0 H PHE A 61 -5.157 1.600 -9.849 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.842 -0.189 -9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.620 -1.064 -7.594 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.335 0.070 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.931 -0.055 -8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.839 2.194 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.578 1.623 -7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.487 3.871 -5.669 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.861 3.587 -6.254 1.00 0.00 H new ATOM 976 N GLU A 62 -3.984 -1.792 -10.890 1.00 0.00 N ATOM 977 CA GLU A 62 -4.579 -2.934 -11.562 1.00 0.00 C ATOM 978 C GLU A 62 -4.140 -4.183 -10.820 1.00 0.00 C ATOM 979 O GLU A 62 -3.026 -4.666 -11.010 1.00 0.00 O ATOM 980 CB GLU A 62 -4.142 -2.990 -13.032 1.00 0.00 C ATOM 981 CG GLU A 62 -5.103 -3.735 -13.954 1.00 0.00 C ATOM 982 CD GLU A 62 -5.194 -5.223 -13.671 1.00 0.00 C ATOM 983 OE1 GLU A 62 -4.378 -5.991 -14.230 1.00 0.00 O ATOM 984 OE2 GLU A 62 -6.094 -5.633 -12.908 1.00 0.00 O ATOM 0 H GLU A 62 -2.992 -1.658 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.666 -2.853 -11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.022 -1.971 -13.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.163 -3.466 -13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.096 -3.295 -13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.787 -3.590 -14.987 1.00 0.00 H new ATOM 991 N GLY A 63 -4.992 -4.677 -9.942 1.00 0.00 N ATOM 992 CA GLY A 63 -4.589 -5.755 -9.075 1.00 0.00 C ATOM 993 C GLY A 63 -5.653 -6.807 -8.904 1.00 0.00 C ATOM 994 O GLY A 63 -6.750 -6.517 -8.434 1.00 0.00 O ATOM 0 H GLY A 63 -5.951 -4.353 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.689 -6.220 -9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.328 -5.349 -8.098 1.00 0.00 H new ATOM 998 N GLU A 64 -5.318 -8.030 -9.266 1.00 0.00 N ATOM 999 CA GLU A 64 -6.224 -9.145 -9.110 1.00 0.00 C ATOM 1000 C GLU A 64 -5.619 -10.129 -8.121 1.00 0.00 C ATOM 1001 O GLU A 64 -4.401 -10.159 -7.940 1.00 0.00 O ATOM 1002 CB GLU A 64 -6.471 -9.823 -10.456 1.00 0.00 C ATOM 1003 CG GLU A 64 -7.877 -10.371 -10.604 1.00 0.00 C ATOM 1004 CD GLU A 64 -8.924 -9.273 -10.570 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -9.126 -8.612 -11.610 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -9.546 -9.061 -9.507 1.00 0.00 O ATOM 0 H GLU A 64 -4.416 -8.275 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.183 -8.790 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.282 -9.107 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.757 -10.637 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.956 -10.917 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.074 -11.084 -9.803 1.00 0.00 H new ATOM 1013 N GLY A 65 -6.451 -10.919 -7.473 1.00 0.00 N ATOM 1014 CA GLY A 65 -5.946 -11.838 -6.483 1.00 0.00 C ATOM 1015 C GLY A 65 -6.979 -12.183 -5.441 1.00 0.00 C ATOM 1016 O GLY A 65 -8.117 -12.497 -5.772 1.00 0.00 O ATOM 0 H GLY A 65 -7.461 -10.942 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.611 -12.751 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.074 -11.401 -5.996 1.00 0.00 H new ATOM 1020 N CYS A 66 -6.586 -12.109 -4.178 1.00 0.00 N ATOM 1021 CA CYS A 66 -7.475 -12.474 -3.095 1.00 0.00 C ATOM 1022 C CYS A 66 -7.992 -11.218 -2.415 1.00 0.00 C ATOM 1023 O CYS A 66 -7.395 -10.147 -2.564 1.00 0.00 O ATOM 1024 CB CYS A 66 -6.772 -13.407 -2.098 1.00 0.00 C ATOM 1025 SG CYS A 66 -5.162 -12.823 -1.496 1.00 0.00 S ATOM 0 H CYS A 66 -5.660 -11.800 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.325 -13.022 -3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.429 -13.559 -1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.634 -14.380 -2.570 1.00 0.00 H new ATOM 1031 N SER A 67 -9.073 -11.373 -1.659 1.00 0.00 N ATOM 1032 CA SER A 67 -9.817 -10.261 -1.071 1.00 0.00 C ATOM 1033 C SER A 67 -8.901 -9.205 -0.453 1.00 0.00 C ATOM 1034 O SER A 67 -9.025 -8.017 -0.742 1.00 0.00 O ATOM 1035 CB SER A 67 -10.772 -10.806 -0.007 1.00 0.00 C ATOM 1036 OG SER A 67 -11.475 -11.941 -0.493 1.00 0.00 O ATOM 0 H SER A 67 -9.464 -12.287 -1.433 1.00 0.00 H new ATOM 0 HA SER A 67 -10.373 -9.772 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.211 -11.076 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.481 -10.031 0.283 1.00 0.00 H new ATOM 0 HG SER A 67 -12.079 -12.275 0.203 1.00 0.00 H new ATOM 1042 N ILE A 68 -7.952 -9.647 0.360 1.00 0.00 N ATOM 1043 CA ILE A 68 -7.111 -8.722 1.103 1.00 0.00 C ATOM 1044 C ILE A 68 -6.054 -8.059 0.220 1.00 0.00 C ATOM 1045 O ILE A 68 -5.606 -6.960 0.515 1.00 0.00 O ATOM 1046 CB ILE A 68 -6.448 -9.404 2.326 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -5.835 -10.765 1.965 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -7.463 -9.566 3.446 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -4.514 -10.673 1.234 1.00 0.00 C ATOM 0 H ILE A 68 -7.747 -10.633 0.521 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.772 -7.937 1.469 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.636 -8.759 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.693 -11.341 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.542 -11.318 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.988 -10.046 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.838 -8.586 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.293 -10.182 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.148 -11.676 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.652 -10.126 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.789 -10.150 1.858 1.00 0.00 H new ATOM 1061 N SER A 69 -5.688 -8.704 -0.885 1.00 0.00 N ATOM 1062 CA SER A 69 -4.636 -8.174 -1.755 1.00 0.00 C ATOM 1063 C SER A 69 -5.185 -7.005 -2.551 1.00 0.00 C ATOM 1064 O SER A 69 -4.531 -5.981 -2.728 1.00 0.00 O ATOM 1065 CB SER A 69 -4.124 -9.269 -2.696 1.00 0.00 C ATOM 1066 OG SER A 69 -3.915 -10.467 -1.968 1.00 0.00 O ATOM 0 H SER A 69 -6.097 -9.584 -1.198 1.00 0.00 H new ATOM 0 HA SER A 69 -3.800 -7.831 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.844 -9.440 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.194 -8.951 -3.167 1.00 0.00 H new ATOM 1072 N MET A 70 -6.420 -7.174 -2.988 1.00 0.00 N ATOM 1073 CA MET A 70 -7.139 -6.138 -3.706 1.00 0.00 C ATOM 1074 C MET A 70 -7.499 -5.009 -2.755 1.00 0.00 C ATOM 1075 O MET A 70 -7.639 -3.853 -3.158 1.00 0.00 O ATOM 1076 CB MET A 70 -8.410 -6.726 -4.329 1.00 0.00 C ATOM 1077 CG MET A 70 -9.332 -5.685 -4.942 1.00 0.00 C ATOM 1078 SD MET A 70 -10.894 -6.384 -5.507 1.00 0.00 S ATOM 1079 CE MET A 70 -11.506 -7.122 -3.993 1.00 0.00 C ATOM 0 H MET A 70 -6.953 -8.034 -2.855 1.00 0.00 H new ATOM 0 HA MET A 70 -6.505 -5.744 -4.500 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.127 -7.445 -5.098 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.957 -7.277 -3.564 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.532 -4.906 -4.207 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.827 -5.208 -5.782 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.590 -7.017 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.242 -8.179 -3.971 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.058 -6.619 -3.136 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.613 -5.350 -1.478 1.00 0.00 N ATOM 1090 CA ALA A 71 -8.074 -4.398 -0.483 1.00 0.00 C ATOM 1091 C ALA A 71 -6.930 -3.537 0.024 1.00 0.00 C ATOM 1092 O ALA A 71 -6.973 -2.313 -0.075 1.00 0.00 O ATOM 1093 CB ALA A 71 -8.740 -5.123 0.675 1.00 0.00 C ATOM 0 H ALA A 71 -7.393 -6.276 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.805 -3.744 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.080 -4.396 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.593 -5.692 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.025 -5.802 1.139 1.00 0.00 H new ATOM 1099 N SER A 72 -5.895 -4.190 0.532 1.00 0.00 N ATOM 1100 CA SER A 72 -4.805 -3.491 1.197 1.00 0.00 C ATOM 1101 C SER A 72 -4.021 -2.620 0.221 1.00 0.00 C ATOM 1102 O SER A 72 -3.724 -1.461 0.515 1.00 0.00 O ATOM 1103 CB SER A 72 -3.877 -4.498 1.880 1.00 0.00 C ATOM 1104 OG SER A 72 -3.458 -5.504 0.973 1.00 0.00 O ATOM 0 H SER A 72 -5.787 -5.204 0.496 1.00 0.00 H new ATOM 0 HA SER A 72 -5.236 -2.833 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.006 -3.980 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.392 -4.957 2.724 1.00 0.00 H new ATOM 0 HG SER A 72 -4.105 -6.240 0.979 1.00 0.00 H new ATOM 1110 N ALA A 73 -3.713 -3.175 -0.946 1.00 0.00 N ATOM 1111 CA ALA A 73 -2.911 -2.476 -1.937 1.00 0.00 C ATOM 1112 C ALA A 73 -3.590 -1.191 -2.378 1.00 0.00 C ATOM 1113 O ALA A 73 -3.017 -0.109 -2.273 1.00 0.00 O ATOM 1114 CB ALA A 73 -2.646 -3.375 -3.133 1.00 0.00 C ATOM 0 H ALA A 73 -4.009 -4.110 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.957 -2.214 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.045 -2.837 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.110 -4.266 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.594 -3.667 -3.585 1.00 0.00 H new ATOM 1120 N SER A 74 -4.826 -1.311 -2.842 1.00 0.00 N ATOM 1121 CA SER A 74 -5.559 -0.170 -3.358 1.00 0.00 C ATOM 1122 C SER A 74 -5.837 0.855 -2.260 1.00 0.00 C ATOM 1123 O SER A 74 -5.769 2.062 -2.501 1.00 0.00 O ATOM 1124 CB SER A 74 -6.869 -0.639 -3.983 1.00 0.00 C ATOM 1125 OG SER A 74 -7.603 0.448 -4.516 1.00 0.00 O ATOM 0 H SER A 74 -5.341 -2.191 -2.870 1.00 0.00 H new ATOM 0 HA SER A 74 -4.946 0.314 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.660 -1.361 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.469 -1.153 -3.232 1.00 0.00 H new ATOM 0 HG SER A 74 -8.475 0.131 -4.832 1.00 0.00 H new ATOM 1131 N MET A 75 -6.125 0.374 -1.055 1.00 0.00 N ATOM 1132 CA MET A 75 -6.489 1.257 0.046 1.00 0.00 C ATOM 1133 C MET A 75 -5.273 2.059 0.494 1.00 0.00 C ATOM 1134 O MET A 75 -5.355 3.269 0.704 1.00 0.00 O ATOM 1135 CB MET A 75 -7.050 0.454 1.220 1.00 0.00 C ATOM 1136 CG MET A 75 -8.026 1.240 2.081 1.00 0.00 C ATOM 1137 SD MET A 75 -9.515 1.709 1.174 1.00 0.00 S ATOM 1138 CE MET A 75 -10.434 2.568 2.450 1.00 0.00 C ATOM 0 H MET A 75 -6.113 -0.618 -0.817 1.00 0.00 H new ATOM 0 HA MET A 75 -7.261 1.943 -0.302 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.551 -0.435 0.836 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.224 0.110 1.843 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.305 0.642 2.949 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.534 2.137 2.457 1.00 0.00 H new ATOM 0 HE1 MET A 75 -11.382 2.919 2.042 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.626 1.888 3.280 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.854 3.420 2.805 1.00 0.00 H new ATOM 1148 N MET A 76 -4.134 1.387 0.610 1.00 0.00 N ATOM 1149 CA MET A 76 -2.898 2.060 0.998 1.00 0.00 C ATOM 1150 C MET A 76 -2.437 3.017 -0.097 1.00 0.00 C ATOM 1151 O MET A 76 -1.838 4.055 0.181 1.00 0.00 O ATOM 1152 CB MET A 76 -1.803 1.042 1.306 1.00 0.00 C ATOM 1153 CG MET A 76 -2.020 0.279 2.602 1.00 0.00 C ATOM 1154 SD MET A 76 -1.994 1.346 4.056 1.00 0.00 S ATOM 1155 CE MET A 76 -0.337 2.021 3.959 1.00 0.00 C ATOM 0 H MET A 76 -4.039 0.385 0.443 1.00 0.00 H new ATOM 0 HA MET A 76 -3.098 2.638 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.740 0.330 0.483 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.844 1.558 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.977 -0.241 2.556 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.247 -0.483 2.703 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.041 2.401 4.937 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.357 1.240 3.649 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.317 2.833 3.232 1.00 0.00 H new ATOM 1165 N THR A 77 -2.737 2.672 -1.345 1.00 0.00 N ATOM 1166 CA THR A 77 -2.412 3.533 -2.476 1.00 0.00 C ATOM 1167 C THR A 77 -3.280 4.792 -2.466 1.00 0.00 C ATOM 1168 O THR A 77 -2.926 5.811 -3.053 1.00 0.00 O ATOM 1169 CB THR A 77 -2.595 2.788 -3.815 1.00 0.00 C ATOM 1170 OG1 THR A 77 -1.796 1.600 -3.826 1.00 0.00 O ATOM 1171 CG2 THR A 77 -2.203 3.665 -4.995 1.00 0.00 C ATOM 0 H THR A 77 -3.205 1.802 -1.599 1.00 0.00 H new ATOM 0 HA THR A 77 -1.365 3.821 -2.378 1.00 0.00 H new ATOM 0 HB THR A 77 -3.650 2.529 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.211 0.921 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.344 3.111 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.828 4.558 -5.008 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.157 3.955 -4.901 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.401 4.725 -1.762 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.326 5.843 -1.694 1.00 0.00 C ATOM 1181 C GLN A 78 -4.758 6.905 -0.769 1.00 0.00 C ATOM 1182 O GLN A 78 -4.850 8.101 -1.044 1.00 0.00 O ATOM 1183 CB GLN A 78 -6.704 5.372 -1.210 1.00 0.00 C ATOM 1184 CG GLN A 78 -7.781 6.445 -1.282 1.00 0.00 C ATOM 1185 CD GLN A 78 -8.108 7.066 0.066 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -7.264 7.141 0.960 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -9.341 7.521 0.216 1.00 0.00 N ATOM 0 H GLN A 78 -4.691 3.905 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.454 6.270 -2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.016 4.517 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.618 5.025 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.456 7.230 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.688 6.011 -1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.011 7.440 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.622 7.953 1.096 1.00 0.00 H new ATOM 1196 N ALA A 79 -4.146 6.450 0.318 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.444 7.347 1.223 1.00 0.00 C ATOM 1198 C ALA A 79 -2.220 7.938 0.532 1.00 0.00 C ATOM 1199 O ALA A 79 -1.828 9.074 0.796 1.00 0.00 O ATOM 1200 CB ALA A 79 -3.038 6.614 2.494 1.00 0.00 C ATOM 0 H ALA A 79 -4.123 5.468 0.592 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.116 8.160 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.514 7.301 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.928 6.233 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.380 5.783 2.240 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.630 7.161 -0.371 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.467 7.620 -1.126 1.00 0.00 C ATOM 1208 C ILE A 80 -0.885 8.602 -2.213 1.00 0.00 C ATOM 1209 O ILE A 80 -0.164 9.554 -2.514 1.00 0.00 O ATOM 1210 CB ILE A 80 0.316 6.436 -1.741 1.00 0.00 C ATOM 1211 CG1 ILE A 80 1.052 5.681 -0.636 1.00 0.00 C ATOM 1212 CG2 ILE A 80 1.300 6.916 -2.802 1.00 0.00 C ATOM 1213 CD1 ILE A 80 2.006 6.563 0.141 1.00 0.00 C ATOM 0 H ILE A 80 -1.936 6.215 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 80 0.196 8.131 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.394 5.766 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.324 5.249 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.607 4.852 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.835 6.061 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.757 7.424 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.013 7.607 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.500 5.973 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.754 6.975 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.451 7.377 0.607 1.00 0.00 H new ATOM 1225 N LYS A 81 -2.072 8.379 -2.765 1.00 0.00 N ATOM 1226 CA LYS A 81 -2.650 9.255 -3.781 1.00 0.00 C ATOM 1227 C LYS A 81 -2.725 10.695 -3.278 1.00 0.00 C ATOM 1228 O LYS A 81 -2.812 11.638 -4.064 1.00 0.00 O ATOM 1229 CB LYS A 81 -4.054 8.758 -4.153 1.00 0.00 C ATOM 1230 CG LYS A 81 -4.784 9.643 -5.150 1.00 0.00 C ATOM 1231 CD LYS A 81 -6.236 9.217 -5.316 1.00 0.00 C ATOM 1232 CE LYS A 81 -7.000 10.193 -6.194 1.00 0.00 C ATOM 1233 NZ LYS A 81 -7.042 11.557 -5.600 1.00 0.00 N ATOM 0 H LYS A 81 -2.663 7.584 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.010 9.233 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.974 7.753 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.653 8.682 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.744 10.680 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.279 9.600 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.277 8.220 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.713 9.154 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.532 10.239 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.017 9.830 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.803 12.107 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.221 11.485 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.131 12.033 -5.760 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.679 10.858 -1.967 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.771 12.178 -1.388 1.00 0.00 C ATOM 1249 C GLY A 82 -1.610 12.475 -0.471 1.00 0.00 C ATOM 1250 O GLY A 82 -1.790 13.046 0.605 1.00 0.00 O ATOM 0 H GLY A 82 -2.579 10.099 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.804 12.922 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.704 12.266 -0.832 1.00 0.00 H new ATOM 1254 N LYS A 83 -0.413 12.086 -0.881 1.00 0.00 N ATOM 1255 CA LYS A 83 0.756 12.299 -0.057 1.00 0.00 C ATOM 1256 C LYS A 83 1.913 12.875 -0.866 1.00 0.00 C ATOM 1257 O LYS A 83 1.718 13.467 -1.928 1.00 0.00 O ATOM 1258 CB LYS A 83 1.173 10.996 0.623 1.00 0.00 C ATOM 1259 CG LYS A 83 1.657 11.204 2.048 1.00 0.00 C ATOM 1260 CD LYS A 83 0.522 11.662 2.955 1.00 0.00 C ATOM 1261 CE LYS A 83 0.859 12.942 3.711 1.00 0.00 C ATOM 1262 NZ LYS A 83 0.810 14.151 2.841 1.00 0.00 N ATOM 0 H LYS A 83 -0.231 11.625 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 83 0.495 13.028 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.328 10.308 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.965 10.525 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.079 10.275 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.456 11.945 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.375 11.823 2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.291 10.872 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.160 13.066 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.855 12.852 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.912 15.004 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.584 14.112 2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.101 14.182 2.341 1.00 0.00 H new ATOM 1276 N ASP A 84 3.119 12.667 -0.363 1.00 0.00 N ATOM 1277 CA ASP A 84 4.301 13.291 -0.873 1.00 0.00 C ATOM 1278 C ASP A 84 5.393 12.253 -0.837 1.00 0.00 C ATOM 1279 O ASP A 84 5.401 11.388 0.039 1.00 0.00 O ATOM 1280 CB ASP A 84 4.723 14.481 0.002 1.00 0.00 C ATOM 1281 CG ASP A 84 3.565 15.362 0.435 1.00 0.00 C ATOM 1282 OD1 ASP A 84 2.876 15.010 1.418 1.00 0.00 O ATOM 1283 OD2 ASP A 84 3.343 16.417 -0.189 1.00 0.00 O ATOM 0 H ASP A 84 3.293 12.045 0.427 1.00 0.00 H new ATOM 0 HA ASP A 84 4.117 13.663 -1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.233 14.105 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.443 15.087 -0.548 1.00 0.00 H new ATOM 1288 N ILE A 85 6.294 12.332 -1.774 1.00 0.00 N ATOM 1289 CA ILE A 85 7.434 11.425 -1.821 1.00 0.00 C ATOM 1290 C ILE A 85 8.276 11.593 -0.564 1.00 0.00 C ATOM 1291 O ILE A 85 8.823 10.628 -0.028 1.00 0.00 O ATOM 1292 CB ILE A 85 8.295 11.661 -3.080 1.00 0.00 C ATOM 1293 CG1 ILE A 85 7.429 11.529 -4.332 1.00 0.00 C ATOM 1294 CG2 ILE A 85 9.464 10.687 -3.135 1.00 0.00 C ATOM 1295 CD1 ILE A 85 6.588 10.268 -4.356 1.00 0.00 C ATOM 0 H ILE A 85 6.271 13.018 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 85 7.055 10.404 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 85 8.705 12.670 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.772 12.396 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.072 11.544 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.053 10.876 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.091 10.821 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.085 9.665 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.999 10.241 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.240 9.395 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.919 10.260 -3.495 1.00 0.00 H new ATOM 1307 N GLU A 86 8.333 12.825 -0.079 1.00 0.00 N ATOM 1308 CA GLU A 86 9.012 13.138 1.167 1.00 0.00 C ATOM 1309 C GLU A 86 8.411 12.323 2.308 1.00 0.00 C ATOM 1310 O GLU A 86 9.125 11.709 3.105 1.00 0.00 O ATOM 1311 CB GLU A 86 8.869 14.628 1.475 1.00 0.00 C ATOM 1312 CG GLU A 86 9.208 15.535 0.302 1.00 0.00 C ATOM 1313 CD GLU A 86 10.631 15.359 -0.177 1.00 0.00 C ATOM 1314 OE1 GLU A 86 11.548 15.914 0.460 1.00 0.00 O ATOM 1315 OE2 GLU A 86 10.837 14.666 -1.194 1.00 0.00 O ATOM 0 H GLU A 86 7.911 13.632 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 86 10.068 12.889 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.845 14.827 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.517 14.879 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.524 15.329 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.053 16.574 0.594 1.00 0.00 H new ATOM 1322 N THR A 87 7.087 12.306 2.364 1.00 0.00 N ATOM 1323 CA THR A 87 6.372 11.615 3.422 1.00 0.00 C ATOM 1324 C THR A 87 6.370 10.103 3.190 1.00 0.00 C ATOM 1325 O THR A 87 6.173 9.331 4.120 1.00 0.00 O ATOM 1326 CB THR A 87 4.919 12.112 3.512 1.00 0.00 C ATOM 1327 OG1 THR A 87 4.873 13.523 3.268 1.00 0.00 O ATOM 1328 CG2 THR A 87 4.327 11.815 4.882 1.00 0.00 C ATOM 0 H THR A 87 6.484 12.767 1.683 1.00 0.00 H new ATOM 0 HA THR A 87 6.888 11.831 4.358 1.00 0.00 H new ATOM 0 HB THR A 87 4.331 11.588 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.107 13.731 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.299 12.176 4.920 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.341 10.740 5.059 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.917 12.316 5.650 1.00 0.00 H new ATOM 1336 N ALA A 88 6.596 9.688 1.949 1.00 0.00 N ATOM 1337 CA ALA A 88 6.605 8.272 1.601 1.00 0.00 C ATOM 1338 C ALA A 88 7.824 7.572 2.194 1.00 0.00 C ATOM 1339 O ALA A 88 7.711 6.540 2.853 1.00 0.00 O ATOM 1340 CB ALA A 88 6.576 8.103 0.092 1.00 0.00 C ATOM 0 H ALA A 88 6.776 10.314 1.164 1.00 0.00 H new ATOM 0 HA ALA A 88 5.713 7.810 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.583 7.041 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.673 8.563 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.452 8.583 -0.345 1.00 0.00 H new ATOM 1346 N LEU A 89 8.994 8.144 1.983 1.00 0.00 N ATOM 1347 CA LEU A 89 10.212 7.598 2.561 1.00 0.00 C ATOM 1348 C LEU A 89 10.152 7.709 4.083 1.00 0.00 C ATOM 1349 O LEU A 89 10.705 6.879 4.805 1.00 0.00 O ATOM 1350 CB LEU A 89 11.448 8.316 2.003 1.00 0.00 C ATOM 1351 CG LEU A 89 11.880 7.886 0.591 1.00 0.00 C ATOM 1352 CD1 LEU A 89 10.820 8.220 -0.450 1.00 0.00 C ATOM 1353 CD2 LEU A 89 13.204 8.531 0.222 1.00 0.00 C ATOM 0 H LEU A 89 9.129 8.983 1.419 1.00 0.00 H new ATOM 0 HA LEU A 89 10.294 6.545 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.251 9.388 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.282 8.151 2.685 1.00 0.00 H new ATOM 0 HG LEU A 89 12.003 6.803 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.163 7.901 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.892 7.703 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.645 9.296 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.495 8.216 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.099 9.616 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.969 8.225 0.935 1.00 0.00 H new ATOM 1365 N SER A 90 9.427 8.713 4.549 1.00 0.00 N ATOM 1366 CA SER A 90 9.220 8.930 5.967 1.00 0.00 C ATOM 1367 C SER A 90 8.171 7.957 6.503 1.00 0.00 C ATOM 1368 O SER A 90 8.123 7.692 7.700 1.00 0.00 O ATOM 1369 CB SER A 90 8.784 10.380 6.217 1.00 0.00 C ATOM 1370 OG SER A 90 8.827 10.708 7.596 1.00 0.00 O ATOM 0 H SER A 90 8.966 9.400 3.952 1.00 0.00 H new ATOM 0 HA SER A 90 10.158 8.751 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.433 11.057 5.661 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.772 10.527 5.839 1.00 0.00 H new ATOM 0 HG SER A 90 8.545 11.638 7.720 1.00 0.00 H new ATOM 1376 N MET A 91 7.344 7.408 5.614 1.00 0.00 N ATOM 1377 CA MET A 91 6.309 6.469 6.029 1.00 0.00 C ATOM 1378 C MET A 91 6.931 5.106 6.291 1.00 0.00 C ATOM 1379 O MET A 91 6.373 4.291 7.014 1.00 0.00 O ATOM 1380 CB MET A 91 5.176 6.352 4.992 1.00 0.00 C ATOM 1381 CG MET A 91 5.386 5.266 3.944 1.00 0.00 C ATOM 1382 SD MET A 91 4.028 5.163 2.764 1.00 0.00 S ATOM 1383 CE MET A 91 4.644 3.893 1.660 1.00 0.00 C ATOM 0 H MET A 91 7.371 7.596 4.612 1.00 0.00 H new ATOM 0 HA MET A 91 5.861 6.852 6.946 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.240 6.157 5.516 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.064 7.311 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.314 5.460 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.502 4.304 4.443 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.915 3.712 0.870 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.585 4.221 1.217 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.808 2.972 2.220 1.00 0.00 H new ATOM 1393 N SER A 92 8.093 4.864 5.698 1.00 0.00 N ATOM 1394 CA SER A 92 8.846 3.667 5.996 1.00 0.00 C ATOM 1395 C SER A 92 9.710 3.938 7.216 1.00 0.00 C ATOM 1396 O SER A 92 9.994 3.040 8.011 1.00 0.00 O ATOM 1397 CB SER A 92 9.694 3.247 4.797 1.00 0.00 C ATOM 1398 OG SER A 92 10.167 1.919 4.941 1.00 0.00 O ATOM 0 H SER A 92 8.527 5.481 5.012 1.00 0.00 H new ATOM 0 HA SER A 92 8.166 2.842 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.103 3.328 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.539 3.927 4.691 1.00 0.00 H new ATOM 0 HG SER A 92 11.010 1.924 5.440 1.00 0.00 H new ATOM 1404 N LYS A 93 10.099 5.204 7.376 1.00 0.00 N ATOM 1405 CA LYS A 93 10.804 5.626 8.573 1.00 0.00 C ATOM 1406 C LYS A 93 9.898 5.434 9.781 1.00 0.00 C ATOM 1407 O LYS A 93 10.280 4.812 10.767 1.00 0.00 O ATOM 1408 CB LYS A 93 11.227 7.093 8.470 1.00 0.00 C ATOM 1409 CG LYS A 93 11.992 7.593 9.687 1.00 0.00 C ATOM 1410 CD LYS A 93 12.077 9.110 9.710 1.00 0.00 C ATOM 1411 CE LYS A 93 10.697 9.739 9.829 1.00 0.00 C ATOM 1412 NZ LYS A 93 10.754 11.225 9.845 1.00 0.00 N ATOM 0 H LYS A 93 9.936 5.945 6.694 1.00 0.00 H new ATOM 0 HA LYS A 93 11.703 5.020 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.847 7.222 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.339 7.710 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.502 7.242 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.997 7.172 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.698 9.429 10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.563 9.463 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.077 9.410 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.217 9.386 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.425 11.575 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.733 11.537 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.143 11.604 9.093 1.00 0.00 H new ATOM 1426 N ILE A 94 8.679 5.955 9.680 1.00 0.00 N ATOM 1427 CA ILE A 94 7.701 5.801 10.744 1.00 0.00 C ATOM 1428 C ILE A 94 7.237 4.349 10.824 1.00 0.00 C ATOM 1429 O ILE A 94 6.883 3.873 11.898 1.00 0.00 O ATOM 1430 CB ILE A 94 6.479 6.742 10.568 1.00 0.00 C ATOM 1431 CG1 ILE A 94 5.552 6.656 11.785 1.00 0.00 C ATOM 1432 CG2 ILE A 94 5.709 6.410 9.300 1.00 0.00 C ATOM 1433 CD1 ILE A 94 4.320 7.528 11.677 1.00 0.00 C ATOM 0 H ILE A 94 8.349 6.485 8.874 1.00 0.00 H new ATOM 0 HA ILE A 94 8.192 6.082 11.676 1.00 0.00 H new ATOM 0 HB ILE A 94 6.855 7.762 10.483 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.242 5.620 11.921 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.111 6.941 12.676 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.859 7.085 9.203 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.364 6.525 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.352 5.381 9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.713 7.413 12.575 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.620 8.571 11.572 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.738 7.229 10.805 1.00 0.00 H new ATOM 1445 N PHE A 95 7.270 3.638 9.689 1.00 0.00 N ATOM 1446 CA PHE A 95 6.888 2.225 9.669 1.00 0.00 C ATOM 1447 C PHE A 95 7.698 1.437 10.695 1.00 0.00 C ATOM 1448 O PHE A 95 7.150 0.636 11.452 1.00 0.00 O ATOM 1449 CB PHE A 95 7.092 1.629 8.272 1.00 0.00 C ATOM 1450 CG PHE A 95 6.638 0.203 8.141 1.00 0.00 C ATOM 1451 CD1 PHE A 95 5.290 -0.102 8.058 1.00 0.00 C ATOM 1452 CD2 PHE A 95 7.560 -0.830 8.091 1.00 0.00 C ATOM 1453 CE1 PHE A 95 4.868 -1.411 7.929 1.00 0.00 C ATOM 1454 CE2 PHE A 95 7.145 -2.142 7.964 1.00 0.00 C ATOM 1455 CZ PHE A 95 5.797 -2.433 7.881 1.00 0.00 C ATOM 0 H PHE A 95 7.554 4.015 8.785 1.00 0.00 H new ATOM 0 HA PHE A 95 5.831 2.156 9.927 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.553 2.239 7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.150 1.687 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.560 0.693 8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.615 -0.607 8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.813 -1.635 7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.873 -2.939 7.930 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.470 -3.457 7.779 1.00 0.00 H new ATOM 1465 N SER A 96 8.998 1.685 10.731 1.00 0.00 N ATOM 1466 CA SER A 96 9.875 1.006 11.669 1.00 0.00 C ATOM 1467 C SER A 96 9.890 1.722 13.021 1.00 0.00 C ATOM 1468 O SER A 96 9.988 1.086 14.072 1.00 0.00 O ATOM 1469 CB SER A 96 11.288 0.920 11.089 1.00 0.00 C ATOM 1470 OG SER A 96 11.753 2.198 10.686 1.00 0.00 O ATOM 0 H SER A 96 9.469 2.353 10.120 1.00 0.00 H new ATOM 0 HA SER A 96 9.497 -0.003 11.831 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.965 0.501 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.294 0.242 10.236 1.00 0.00 H new ATOM 0 HG SER A 96 12.658 2.116 10.320 1.00 0.00 H new ATOM 1476 N ASP A 97 9.773 3.046 12.983 1.00 0.00 N ATOM 1477 CA ASP A 97 9.832 3.865 14.193 1.00 0.00 C ATOM 1478 C ASP A 97 8.674 3.558 15.136 1.00 0.00 C ATOM 1479 O ASP A 97 8.872 3.404 16.338 1.00 0.00 O ATOM 1480 CB ASP A 97 9.827 5.353 13.837 1.00 0.00 C ATOM 1481 CG ASP A 97 9.972 6.242 15.058 1.00 0.00 C ATOM 1482 OD1 ASP A 97 11.120 6.520 15.462 1.00 0.00 O ATOM 1483 OD2 ASP A 97 8.941 6.672 15.614 1.00 0.00 O ATOM 0 H ASP A 97 9.636 3.578 12.124 1.00 0.00 H new ATOM 0 HA ASP A 97 10.763 3.620 14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.641 5.560 13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.898 5.597 13.322 1.00 0.00 H new ATOM 1488 N MET A 98 7.467 3.445 14.587 1.00 0.00 N ATOM 1489 CA MET A 98 6.282 3.176 15.402 1.00 0.00 C ATOM 1490 C MET A 98 6.374 1.803 16.065 1.00 0.00 C ATOM 1491 O MET A 98 5.699 1.540 17.060 1.00 0.00 O ATOM 1492 CB MET A 98 5.000 3.270 14.565 1.00 0.00 C ATOM 1493 CG MET A 98 4.875 2.199 13.493 1.00 0.00 C ATOM 1494 SD MET A 98 3.347 2.340 12.549 1.00 0.00 S ATOM 1495 CE MET A 98 3.534 0.980 11.398 1.00 0.00 C ATOM 0 H MET A 98 7.283 3.535 13.588 1.00 0.00 H new ATOM 0 HA MET A 98 6.242 3.938 16.181 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.139 3.204 15.231 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.961 4.250 14.090 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.725 2.268 12.814 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.920 1.215 13.960 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.145 1.273 10.423 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.589 0.724 11.306 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.981 0.115 11.764 1.00 0.00 H new ATOM 1505 N MET A 99 7.227 0.937 15.525 1.00 0.00 N ATOM 1506 CA MET A 99 7.431 -0.394 16.087 1.00 0.00 C ATOM 1507 C MET A 99 8.375 -0.329 17.286 1.00 0.00 C ATOM 1508 O MET A 99 8.612 -1.332 17.960 1.00 0.00 O ATOM 1509 CB MET A 99 7.994 -1.352 15.029 1.00 0.00 C ATOM 1510 CG MET A 99 7.062 -1.588 13.850 1.00 0.00 C ATOM 1511 SD MET A 99 7.757 -2.719 12.629 1.00 0.00 S ATOM 1512 CE MET A 99 7.906 -4.221 13.596 1.00 0.00 C ATOM 0 H MET A 99 7.789 1.134 14.697 1.00 0.00 H new ATOM 0 HA MET A 99 6.464 -0.772 16.419 1.00 0.00 H new ATOM 0 HB2 MET A 99 8.938 -0.953 14.658 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.215 -2.309 15.501 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.116 -1.989 14.214 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.840 -0.634 13.371 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.029 -5.073 12.928 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.773 -4.147 14.252 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.007 -4.358 14.197 1.00 0.00 H new ATOM 1522 N GLN A 100 8.921 0.857 17.534 1.00 0.00 N ATOM 1523 CA GLN A 100 9.819 1.077 18.661 1.00 0.00 C ATOM 1524 C GLN A 100 9.258 2.138 19.599 1.00 0.00 C ATOM 1525 O GLN A 100 9.301 1.993 20.819 1.00 0.00 O ATOM 1526 CB GLN A 100 11.198 1.504 18.156 1.00 0.00 C ATOM 1527 CG GLN A 100 11.966 0.394 17.460 1.00 0.00 C ATOM 1528 CD GLN A 100 12.361 -0.719 18.411 1.00 0.00 C ATOM 1529 OE1 GLN A 100 13.438 -0.688 19.008 1.00 0.00 O ATOM 1530 NE2 GLN A 100 11.495 -1.705 18.563 1.00 0.00 N ATOM 0 H GLN A 100 8.755 1.687 16.964 1.00 0.00 H new ATOM 0 HA GLN A 100 9.913 0.142 19.214 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.079 2.339 17.466 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.787 1.868 18.998 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.356 -0.018 16.656 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.862 0.809 16.999 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.614 -1.693 18.050 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.708 -2.478 19.193 1.00 0.00 H new ATOM 1539 N GLY A 101 8.720 3.200 19.018 1.00 0.00 N ATOM 1540 CA GLY A 101 8.190 4.287 19.811 1.00 0.00 C ATOM 1541 C GLY A 101 6.775 4.031 20.291 1.00 0.00 C ATOM 1542 O GLY A 101 6.326 4.665 21.247 1.00 0.00 O ATOM 0 H GLY A 101 8.641 3.327 18.009 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.837 4.450 20.673 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.208 5.203 19.221 1.00 0.00 H new ATOM 1546 N LYS A 102 6.074 3.116 19.616 1.00 0.00 N ATOM 1547 CA LYS A 102 4.678 2.777 19.932 1.00 0.00 C ATOM 1548 C LYS A 102 3.719 3.882 19.502 1.00 0.00 C ATOM 1549 O LYS A 102 2.611 3.610 19.049 1.00 0.00 O ATOM 1550 CB LYS A 102 4.496 2.450 21.421 1.00 0.00 C ATOM 1551 CG LYS A 102 4.667 0.975 21.740 1.00 0.00 C ATOM 1552 CD LYS A 102 3.538 0.150 21.138 1.00 0.00 C ATOM 1553 CE LYS A 102 3.720 -1.335 21.400 1.00 0.00 C ATOM 1554 NZ LYS A 102 4.894 -1.891 20.678 1.00 0.00 N ATOM 0 H LYS A 102 6.457 2.587 18.833 1.00 0.00 H new ATOM 0 HA LYS A 102 4.435 1.881 19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.216 3.026 22.002 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.503 2.770 21.737 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.624 0.625 21.353 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.689 0.834 22.821 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.586 0.478 21.555 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.493 0.326 20.063 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.841 -1.501 22.470 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.821 -1.869 21.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.893 -2.928 20.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.843 -1.623 19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.769 -1.511 21.093 1.00 0.00 H new ATOM 1568 N GLU A 103 4.145 5.123 19.656 1.00 0.00 N ATOM 1569 CA GLU A 103 3.390 6.257 19.168 1.00 0.00 C ATOM 1570 C GLU A 103 3.841 6.594 17.752 1.00 0.00 C ATOM 1571 O GLU A 103 4.958 6.260 17.357 1.00 0.00 O ATOM 1572 CB GLU A 103 3.557 7.450 20.110 1.00 0.00 C ATOM 1573 CG GLU A 103 5.001 7.851 20.353 1.00 0.00 C ATOM 1574 CD GLU A 103 5.139 8.805 21.519 1.00 0.00 C ATOM 1575 OE1 GLU A 103 4.654 9.950 21.422 1.00 0.00 O ATOM 1576 OE2 GLU A 103 5.724 8.409 22.550 1.00 0.00 O ATOM 0 H GLU A 103 5.019 5.370 20.120 1.00 0.00 H new ATOM 0 HA GLU A 103 2.329 6.008 19.141 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.019 8.303 19.697 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.091 7.212 21.066 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.597 6.959 20.543 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.403 8.318 19.454 1.00 0.00 H new ATOM 1583 N TYR A 104 2.981 7.251 16.999 1.00 0.00 N ATOM 1584 CA TYR A 104 3.204 7.470 15.590 1.00 0.00 C ATOM 1585 C TYR A 104 3.241 8.963 15.315 1.00 0.00 C ATOM 1586 O TYR A 104 3.554 9.755 16.203 1.00 0.00 O ATOM 1587 CB TYR A 104 2.086 6.785 14.785 1.00 0.00 C ATOM 1588 CG TYR A 104 1.058 6.092 15.653 1.00 0.00 C ATOM 1589 CD1 TYR A 104 1.233 4.775 16.062 1.00 0.00 C ATOM 1590 CD2 TYR A 104 -0.078 6.765 16.078 1.00 0.00 C ATOM 1591 CE1 TYR A 104 0.300 4.152 16.867 1.00 0.00 C ATOM 1592 CE2 TYR A 104 -1.012 6.151 16.885 1.00 0.00 C ATOM 1593 CZ TYR A 104 -0.820 4.842 17.278 1.00 0.00 C ATOM 1594 OH TYR A 104 -1.750 4.225 18.087 1.00 0.00 O ATOM 0 H TYR A 104 2.109 7.647 17.350 1.00 0.00 H new ATOM 0 HA TYR A 104 4.159 7.040 15.287 1.00 0.00 H new ATOM 0 HB2 TYR A 104 1.585 7.530 14.166 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.531 6.055 14.108 1.00 0.00 H new ATOM 0 HD1 TYR A 104 2.111 4.231 15.746 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.234 7.789 15.771 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.447 3.127 17.174 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -1.889 6.692 17.208 1.00 0.00 H new ATOM 0 HH TYR A 104 -2.477 4.851 18.286 1.00 0.00 H new ATOM 1604 N ASP A 105 2.916 9.346 14.098 1.00 0.00 N ATOM 1605 CA ASP A 105 2.927 10.746 13.717 1.00 0.00 C ATOM 1606 C ASP A 105 1.534 11.184 13.313 1.00 0.00 C ATOM 1607 O ASP A 105 1.094 10.919 12.196 1.00 0.00 O ATOM 1608 CB ASP A 105 3.917 11.006 12.580 1.00 0.00 C ATOM 1609 CG ASP A 105 3.952 12.466 12.166 1.00 0.00 C ATOM 1610 OD1 ASP A 105 4.012 13.342 13.055 1.00 0.00 O ATOM 1611 OD2 ASP A 105 3.943 12.748 10.949 1.00 0.00 O ATOM 0 H ASP A 105 2.640 8.707 13.353 1.00 0.00 H new ATOM 0 HA ASP A 105 3.250 11.330 14.579 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.914 10.696 12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.647 10.394 11.720 1.00 0.00 H new ATOM 1616 N ASP A 106 0.818 11.731 14.290 1.00 0.00 N ATOM 1617 CA ASP A 106 -0.470 12.394 14.090 1.00 0.00 C ATOM 1618 C ASP A 106 -1.575 11.356 14.129 1.00 0.00 C ATOM 1619 O ASP A 106 -2.758 11.686 14.097 1.00 0.00 O ATOM 1620 CB ASP A 106 -0.498 13.175 12.762 1.00 0.00 C ATOM 1621 CG ASP A 106 -1.527 14.293 12.731 1.00 0.00 C ATOM 1622 OD1 ASP A 106 -2.741 14.007 12.730 1.00 0.00 O ATOM 1623 OD2 ASP A 106 -1.118 15.472 12.705 1.00 0.00 O ATOM 0 H ASP A 106 1.121 11.727 15.264 1.00 0.00 H new ATOM 0 HA ASP A 106 -0.623 13.117 14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.490 13.598 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.704 12.481 11.947 1.00 0.00 H new ATOM 1628 N SER A 107 -1.159 10.089 14.231 1.00 0.00 N ATOM 1629 CA SER A 107 -2.074 8.962 14.165 1.00 0.00 C ATOM 1630 C SER A 107 -2.692 8.944 12.782 1.00 0.00 C ATOM 1631 O SER A 107 -3.790 8.425 12.576 1.00 0.00 O ATOM 1632 CB SER A 107 -3.145 9.063 15.255 1.00 0.00 C ATOM 1633 OG SER A 107 -2.547 9.258 16.529 1.00 0.00 O ATOM 0 H SER A 107 -0.182 9.825 14.361 1.00 0.00 H new ATOM 0 HA SER A 107 -1.537 8.030 14.340 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.819 9.890 15.034 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.747 8.155 15.265 1.00 0.00 H new ATOM 0 HG SER A 107 -1.870 8.567 16.682 1.00 0.00 H new ATOM 1639 N ILE A 108 -1.926 9.506 11.845 1.00 0.00 N ATOM 1640 CA ILE A 108 -2.371 9.709 10.458 1.00 0.00 C ATOM 1641 C ILE A 108 -3.158 8.519 9.904 1.00 0.00 C ATOM 1642 O ILE A 108 -4.308 8.667 9.487 1.00 0.00 O ATOM 1643 CB ILE A 108 -1.183 10.015 9.515 1.00 0.00 C ATOM 1644 CG1 ILE A 108 -0.003 9.077 9.806 1.00 0.00 C ATOM 1645 CG2 ILE A 108 -0.766 11.472 9.643 1.00 0.00 C ATOM 1646 CD1 ILE A 108 1.174 9.260 8.869 1.00 0.00 C ATOM 0 H ILE A 108 -0.977 9.835 12.023 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.038 10.570 10.492 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.503 9.841 8.488 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.332 9.239 10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.348 8.045 9.743 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.071 11.671 8.973 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.605 12.115 9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.465 11.675 10.671 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.966 8.562 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.856 9.069 7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.547 10.281 8.949 1.00 0.00 H new ATOM 1658 N ASP A 109 -2.544 7.348 9.902 1.00 0.00 N ATOM 1659 CA ASP A 109 -3.212 6.141 9.431 1.00 0.00 C ATOM 1660 C ASP A 109 -2.826 4.974 10.316 1.00 0.00 C ATOM 1661 O ASP A 109 -1.668 4.860 10.716 1.00 0.00 O ATOM 1662 CB ASP A 109 -2.856 5.836 7.974 1.00 0.00 C ATOM 1663 CG ASP A 109 -3.782 4.794 7.376 1.00 0.00 C ATOM 1664 OD1 ASP A 109 -3.615 3.597 7.679 1.00 0.00 O ATOM 1665 OD2 ASP A 109 -4.705 5.182 6.624 1.00 0.00 O ATOM 0 H ASP A 109 -1.586 7.205 10.220 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.289 6.302 9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.912 6.752 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.826 5.483 7.917 1.00 0.00 H new ATOM 1670 N LEU A 110 -3.790 4.117 10.627 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.569 3.036 11.578 1.00 0.00 C ATOM 1672 C LEU A 110 -4.400 1.807 11.223 1.00 0.00 C ATOM 1673 O LEU A 110 -3.863 0.711 11.047 1.00 0.00 O ATOM 1674 CB LEU A 110 -3.918 3.510 12.994 1.00 0.00 C ATOM 1675 CG LEU A 110 -3.058 4.660 13.525 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -3.649 5.229 14.801 1.00 0.00 C ATOM 1677 CD2 LEU A 110 -1.630 4.188 13.762 1.00 0.00 C ATOM 0 H LEU A 110 -4.731 4.150 10.235 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.516 2.756 11.535 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.963 3.821 13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.828 2.664 13.676 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.043 5.451 12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.022 6.045 15.160 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.653 5.604 14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.698 4.448 15.559 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.031 5.017 14.139 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.631 3.379 14.492 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.205 3.830 12.824 1.00 0.00 H new ATOM 1689 N GLY A 111 -5.711 2.004 11.107 1.00 0.00 N ATOM 1690 CA GLY A 111 -6.628 0.897 10.875 1.00 0.00 C ATOM 1691 C GLY A 111 -6.347 0.128 9.595 1.00 0.00 C ATOM 1692 O GLY A 111 -6.527 -1.090 9.546 1.00 0.00 O ATOM 0 H GLY A 111 -6.159 2.918 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.575 0.210 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.647 1.282 10.840 1.00 0.00 H new ATOM 1696 N ASP A 112 -5.899 0.830 8.566 1.00 0.00 N ATOM 1697 CA ASP A 112 -5.650 0.212 7.263 1.00 0.00 C ATOM 1698 C ASP A 112 -4.399 -0.655 7.318 1.00 0.00 C ATOM 1699 O ASP A 112 -4.311 -1.691 6.656 1.00 0.00 O ATOM 1700 CB ASP A 112 -5.510 1.285 6.176 1.00 0.00 C ATOM 1701 CG ASP A 112 -6.774 2.110 5.996 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -7.426 2.440 7.010 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -7.127 2.434 4.844 1.00 0.00 O ATOM 0 H ASP A 112 -5.699 1.829 8.603 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.501 -0.421 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.683 1.947 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.256 0.806 5.230 1.00 0.00 H new ATOM 1708 N ILE A 113 -3.446 -0.236 8.137 1.00 0.00 N ATOM 1709 CA ILE A 113 -2.213 -0.980 8.340 1.00 0.00 C ATOM 1710 C ILE A 113 -2.501 -2.275 9.098 1.00 0.00 C ATOM 1711 O ILE A 113 -1.801 -3.279 8.933 1.00 0.00 O ATOM 1712 CB ILE A 113 -1.180 -0.140 9.127 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.950 1.205 8.432 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.136 -0.894 9.271 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.022 2.130 9.192 1.00 0.00 C ATOM 0 H ILE A 113 -3.506 0.627 8.678 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.796 -1.214 7.361 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.578 0.044 10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.537 1.025 7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.910 1.701 8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.846 -0.283 9.828 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.036 -1.828 9.806 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.541 -1.111 8.283 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.094 3.063 8.640 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.443 2.340 10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.951 1.654 9.308 1.00 0.00 H new ATOM 1727 N GLU A 114 -3.561 -2.257 9.903 1.00 0.00 N ATOM 1728 CA GLU A 114 -3.961 -3.431 10.674 1.00 0.00 C ATOM 1729 C GLU A 114 -4.371 -4.573 9.746 1.00 0.00 C ATOM 1730 O GLU A 114 -4.355 -5.742 10.139 1.00 0.00 O ATOM 1731 CB GLU A 114 -5.108 -3.094 11.633 1.00 0.00 C ATOM 1732 CG GLU A 114 -4.766 -2.003 12.637 1.00 0.00 C ATOM 1733 CD GLU A 114 -5.846 -1.809 13.680 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -6.853 -1.130 13.389 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -5.694 -2.338 14.800 1.00 0.00 O ATOM 0 H GLU A 114 -4.159 -1.442 10.038 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.102 -3.750 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.976 -2.782 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.395 -3.996 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.828 -2.253 13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.606 -1.064 12.107 1.00 0.00 H new ATOM 1742 N ALA A 115 -4.728 -4.227 8.512 1.00 0.00 N ATOM 1743 CA ALA A 115 -5.059 -5.221 7.504 1.00 0.00 C ATOM 1744 C ALA A 115 -3.795 -5.887 6.966 1.00 0.00 C ATOM 1745 O ALA A 115 -3.776 -7.092 6.714 1.00 0.00 O ATOM 1746 CB ALA A 115 -5.847 -4.586 6.368 1.00 0.00 C ATOM 0 H ALA A 115 -4.795 -3.262 8.189 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.678 -5.987 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.086 -5.345 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.770 -4.159 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.250 -3.799 5.906 1.00 0.00 H new ATOM 1752 N LEU A 116 -2.729 -5.104 6.819 1.00 0.00 N ATOM 1753 CA LEU A 116 -1.463 -5.629 6.301 1.00 0.00 C ATOM 1754 C LEU A 116 -0.786 -6.494 7.353 1.00 0.00 C ATOM 1755 O LEU A 116 -0.103 -7.469 7.038 1.00 0.00 O ATOM 1756 CB LEU A 116 -0.526 -4.493 5.877 1.00 0.00 C ATOM 1757 CG LEU A 116 -0.842 -3.857 4.522 1.00 0.00 C ATOM 1758 CD1 LEU A 116 0.059 -2.657 4.272 1.00 0.00 C ATOM 1759 CD2 LEU A 116 -0.677 -4.878 3.406 1.00 0.00 C ATOM 0 H LEU A 116 -2.713 -4.110 7.049 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.683 -6.236 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.555 -3.716 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.494 -4.876 5.851 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.878 -3.517 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.180 -2.218 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.097 -1.915 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.101 -2.977 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.905 -4.410 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.350 -5.243 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.357 -5.713 3.573 1.00 0.00 H new ATOM 1771 N GLN A 117 -1.007 -6.120 8.602 1.00 0.00 N ATOM 1772 CA GLN A 117 -0.483 -6.836 9.758 1.00 0.00 C ATOM 1773 C GLN A 117 -0.856 -8.324 9.727 1.00 0.00 C ATOM 1774 O GLN A 117 -0.069 -9.178 10.136 1.00 0.00 O ATOM 1775 CB GLN A 117 -1.045 -6.170 11.012 1.00 0.00 C ATOM 1776 CG GLN A 117 -0.809 -6.925 12.307 1.00 0.00 C ATOM 1777 CD GLN A 117 -1.644 -6.357 13.437 1.00 0.00 C ATOM 1778 OE1 GLN A 117 -1.264 -6.420 14.606 1.00 0.00 O ATOM 1779 NE2 GLN A 117 -2.792 -5.793 13.087 1.00 0.00 N ATOM 0 H GLN A 117 -1.562 -5.300 8.847 1.00 0.00 H new ATOM 0 HA GLN A 117 0.606 -6.789 9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.606 -5.177 11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.118 -6.033 10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.053 -7.978 12.166 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.247 -6.875 12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.067 -5.763 12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.400 -5.389 13.800 1.00 0.00 H new ATOM 1788 N GLY A 118 -2.046 -8.626 9.222 1.00 0.00 N ATOM 1789 CA GLY A 118 -2.541 -9.991 9.241 1.00 0.00 C ATOM 1790 C GLY A 118 -1.786 -10.926 8.310 1.00 0.00 C ATOM 1791 O GLY A 118 -1.406 -12.029 8.704 1.00 0.00 O ATOM 0 H GLY A 118 -2.679 -7.948 8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.479 -10.377 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.595 -9.990 8.964 1.00 0.00 H new ATOM 1795 N VAL A 119 -1.570 -10.491 7.075 1.00 0.00 N ATOM 1796 CA VAL A 119 -0.948 -11.339 6.058 1.00 0.00 C ATOM 1797 C VAL A 119 0.578 -11.275 6.124 1.00 0.00 C ATOM 1798 O VAL A 119 1.263 -12.159 5.616 1.00 0.00 O ATOM 1799 CB VAL A 119 -1.417 -10.953 4.637 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -2.913 -11.181 4.491 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -1.065 -9.506 4.316 1.00 0.00 C ATOM 0 H VAL A 119 -1.815 -9.556 6.750 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.264 -12.360 6.270 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.895 -11.592 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.227 -10.904 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.139 -12.233 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.447 -10.570 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.407 -9.263 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.551 -8.845 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.015 -9.373 4.374 1.00 0.00 H new ATOM 1811 N SER A 120 1.077 -10.238 6.784 1.00 0.00 N ATOM 1812 CA SER A 120 2.498 -9.861 6.798 1.00 0.00 C ATOM 1813 C SER A 120 3.489 -11.020 7.039 1.00 0.00 C ATOM 1814 O SER A 120 4.673 -10.881 6.729 1.00 0.00 O ATOM 1815 CB SER A 120 2.709 -8.773 7.857 1.00 0.00 C ATOM 1816 OG SER A 120 4.026 -8.245 7.815 1.00 0.00 O ATOM 0 H SER A 120 0.494 -9.614 7.342 1.00 0.00 H new ATOM 0 HA SER A 120 2.722 -9.504 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.990 -7.969 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.514 -9.186 8.847 1.00 0.00 H new ATOM 0 HG SER A 120 4.636 -8.916 7.443 1.00 0.00 H new ATOM 1822 N LYS A 121 3.039 -12.162 7.552 1.00 0.00 N ATOM 1823 CA LYS A 121 3.975 -13.132 8.100 1.00 0.00 C ATOM 1824 C LYS A 121 3.298 -14.487 8.259 1.00 0.00 C ATOM 1825 O LYS A 121 3.687 -15.311 9.094 1.00 0.00 O ATOM 1826 CB LYS A 121 4.508 -12.625 9.446 1.00 0.00 C ATOM 1827 CG LYS A 121 5.825 -13.259 9.868 1.00 0.00 C ATOM 1828 CD LYS A 121 6.361 -12.624 11.141 1.00 0.00 C ATOM 1829 CE LYS A 121 7.706 -13.208 11.541 1.00 0.00 C ATOM 1830 NZ LYS A 121 8.743 -13.002 10.496 1.00 0.00 N ATOM 0 H LYS A 121 2.057 -12.432 7.599 1.00 0.00 H new ATOM 0 HA LYS A 121 4.814 -13.254 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.638 -11.544 9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.761 -12.816 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.683 -14.328 10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.557 -13.149 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.461 -11.548 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.646 -12.772 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.036 -12.749 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.594 -14.275 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.684 -13.180 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.576 -13.659 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.695 -12.023 10.148 1.00 0.00 H new ATOM 1844 N PHE A 122 2.291 -14.719 7.437 1.00 0.00 N ATOM 1845 CA PHE A 122 1.595 -15.989 7.425 1.00 0.00 C ATOM 1846 C PHE A 122 2.224 -16.867 6.357 1.00 0.00 C ATOM 1847 O PHE A 122 2.576 -16.363 5.289 1.00 0.00 O ATOM 1848 CB PHE A 122 0.107 -15.774 7.137 1.00 0.00 C ATOM 1849 CG PHE A 122 -0.804 -16.397 8.155 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -1.037 -15.772 9.369 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -1.434 -17.603 7.893 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -1.881 -16.337 10.303 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -2.279 -18.174 8.825 1.00 0.00 C ATOM 1854 CZ PHE A 122 -2.503 -17.541 10.032 1.00 0.00 C ATOM 0 H PHE A 122 1.936 -14.038 6.765 1.00 0.00 H new ATOM 0 HA PHE A 122 1.680 -16.473 8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.093 -14.704 7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -0.126 -16.185 6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.553 -14.832 9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.263 -18.102 6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.055 -15.839 11.245 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -2.764 -19.115 8.610 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.163 -17.986 10.762 1.00 0.00 H new ATOM 1864 N PRO A 123 2.379 -18.176 6.630 1.00 0.00 N ATOM 1865 CA PRO A 123 3.052 -19.118 5.725 1.00 0.00 C ATOM 1866 C PRO A 123 2.697 -18.909 4.255 1.00 0.00 C ATOM 1867 O PRO A 123 3.559 -18.964 3.380 1.00 0.00 O ATOM 1868 CB PRO A 123 2.537 -20.471 6.207 1.00 0.00 C ATOM 1869 CG PRO A 123 2.321 -20.288 7.669 1.00 0.00 C ATOM 1870 CD PRO A 123 1.915 -18.849 7.862 1.00 0.00 C ATOM 0 HA PRO A 123 4.135 -19.003 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.612 -20.747 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.258 -21.264 6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.547 -20.962 8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.230 -20.513 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.837 -18.752 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.379 -18.419 8.750 1.00 0.00 H new ATOM 1878 N ALA A 124 1.424 -18.660 3.985 1.00 0.00 N ATOM 1879 CA ALA A 124 0.968 -18.495 2.619 1.00 0.00 C ATOM 1880 C ALA A 124 0.516 -17.067 2.317 1.00 0.00 C ATOM 1881 O ALA A 124 -0.051 -16.819 1.255 1.00 0.00 O ATOM 1882 CB ALA A 124 -0.163 -19.470 2.332 1.00 0.00 C ATOM 0 H ALA A 124 0.694 -18.569 4.692 1.00 0.00 H new ATOM 0 HA ALA A 124 1.817 -18.705 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.502 -19.342 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.192 -20.491 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.991 -19.277 3.014 1.00 0.00 H new ATOM 1888 N ARG A 125 0.756 -16.111 3.218 1.00 0.00 N ATOM 1889 CA ARG A 125 0.249 -14.772 2.996 1.00 0.00 C ATOM 1890 C ARG A 125 1.386 -13.766 3.066 1.00 0.00 C ATOM 1891 O ARG A 125 1.182 -12.567 2.905 1.00 0.00 O ATOM 1892 CB ARG A 125 -0.849 -14.461 4.018 1.00 0.00 C ATOM 1893 CG ARG A 125 -1.993 -15.467 3.970 1.00 0.00 C ATOM 1894 CD ARG A 125 -3.025 -15.238 5.059 1.00 0.00 C ATOM 1895 NE ARG A 125 -4.061 -16.273 5.032 1.00 0.00 N ATOM 1896 CZ ARG A 125 -5.145 -16.276 5.810 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -5.322 -15.324 6.717 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -6.047 -17.240 5.685 1.00 0.00 N ATOM 0 H ARG A 125 1.283 -16.241 4.081 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.189 -14.704 2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -0.418 -14.454 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.241 -13.461 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.480 -15.410 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.589 -16.475 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.535 -15.235 6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.483 -14.257 4.929 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.946 -17.044 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.627 -14.585 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.153 -15.332 7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.912 -17.978 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.876 -17.243 6.279 1.00 0.00 H new ATOM 1912 N ILE A 126 2.598 -14.284 3.222 1.00 0.00 N ATOM 1913 CA ILE A 126 3.775 -13.447 3.410 1.00 0.00 C ATOM 1914 C ILE A 126 4.291 -12.985 2.055 1.00 0.00 C ATOM 1915 O ILE A 126 4.838 -11.892 1.918 1.00 0.00 O ATOM 1916 CB ILE A 126 4.886 -14.193 4.194 1.00 0.00 C ATOM 1917 CG1 ILE A 126 6.091 -13.273 4.425 1.00 0.00 C ATOM 1918 CG2 ILE A 126 5.304 -15.463 3.463 1.00 0.00 C ATOM 1919 CD1 ILE A 126 7.191 -13.905 5.251 1.00 0.00 C ATOM 0 H ILE A 126 2.791 -15.286 3.222 1.00 0.00 H new ATOM 0 HA ILE A 126 3.489 -12.579 4.004 1.00 0.00 H new ATOM 0 HB ILE A 126 4.486 -14.481 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 126 6.500 -12.975 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 126 5.753 -12.364 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 126 6.084 -15.970 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 126 4.443 -16.123 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.684 -15.205 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.009 -13.195 5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.799 -14.178 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 126 7.558 -14.798 4.746 1.00 0.00 H new ATOM 1931 N LYS A 127 4.066 -13.819 1.045 1.00 0.00 N ATOM 1932 CA LYS A 127 4.355 -13.452 -0.332 1.00 0.00 C ATOM 1933 C LYS A 127 3.292 -12.475 -0.813 1.00 0.00 C ATOM 1934 O LYS A 127 3.469 -11.766 -1.798 1.00 0.00 O ATOM 1935 CB LYS A 127 4.385 -14.695 -1.226 1.00 0.00 C ATOM 1936 CG LYS A 127 5.441 -15.715 -0.826 1.00 0.00 C ATOM 1937 CD LYS A 127 6.850 -15.153 -0.959 1.00 0.00 C ATOM 1938 CE LYS A 127 7.899 -16.184 -0.571 1.00 0.00 C ATOM 1939 NZ LYS A 127 9.284 -15.659 -0.712 1.00 0.00 N ATOM 0 H LYS A 127 3.683 -14.757 1.158 1.00 0.00 H new ATOM 0 HA LYS A 127 5.336 -12.980 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 127 3.405 -15.172 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 127 4.564 -14.386 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.271 -16.029 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 127 5.344 -16.603 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.019 -14.829 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.953 -14.272 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.734 -16.497 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.783 -17.070 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.964 -16.396 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.452 -15.384 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.405 -14.829 -0.097 1.00 0.00 H new ATOM 1953 N CYS A 128 2.171 -12.464 -0.104 1.00 0.00 N ATOM 1954 CA CYS A 128 1.101 -11.521 -0.369 1.00 0.00 C ATOM 1955 C CYS A 128 1.371 -10.222 0.383 1.00 0.00 C ATOM 1956 O CYS A 128 0.823 -9.171 0.053 1.00 0.00 O ATOM 1957 CB CYS A 128 -0.250 -12.115 0.046 1.00 0.00 C ATOM 1958 SG CYS A 128 -1.689 -11.149 -0.481 1.00 0.00 S ATOM 0 H CYS A 128 1.982 -13.106 0.666 1.00 0.00 H new ATOM 0 HA CYS A 128 1.063 -11.311 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -0.333 -13.121 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -0.272 -12.213 1.131 1.00 0.00 H new ATOM 1964 N ALA A 129 2.221 -10.311 1.397 1.00 0.00 N ATOM 1965 CA ALA A 129 2.636 -9.143 2.154 1.00 0.00 C ATOM 1966 C ALA A 129 3.706 -8.386 1.389 1.00 0.00 C ATOM 1967 O ALA A 129 3.652 -7.166 1.276 1.00 0.00 O ATOM 1968 CB ALA A 129 3.149 -9.552 3.522 1.00 0.00 C ATOM 0 H ALA A 129 2.637 -11.187 1.714 1.00 0.00 H new ATOM 0 HA ALA A 129 1.775 -8.489 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 129 3.456 -8.665 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.358 -10.066 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 129 4.002 -10.220 3.406 1.00 0.00 H new ATOM 1974 N THR A 130 4.672 -9.121 0.855 1.00 0.00 N ATOM 1975 CA THR A 130 5.691 -8.527 0.006 1.00 0.00 C ATOM 1976 C THR A 130 5.056 -8.013 -1.280 1.00 0.00 C ATOM 1977 O THR A 130 5.509 -7.033 -1.869 1.00 0.00 O ATOM 1978 CB THR A 130 6.810 -9.536 -0.312 1.00 0.00 C ATOM 1979 OG1 THR A 130 6.249 -10.843 -0.502 1.00 0.00 O ATOM 1980 CG2 THR A 130 7.833 -9.580 0.809 1.00 0.00 C ATOM 0 H THR A 130 4.770 -10.127 0.995 1.00 0.00 H new ATOM 0 HA THR A 130 6.141 -7.692 0.542 1.00 0.00 H new ATOM 0 HB THR A 130 7.309 -9.216 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 130 5.372 -10.763 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.613 -10.300 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.277 -8.593 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.344 -9.879 1.736 1.00 0.00 H new ATOM 1988 N LEU A 131 3.994 -8.690 -1.691 1.00 0.00 N ATOM 1989 CA LEU A 131 3.156 -8.242 -2.792 1.00 0.00 C ATOM 1990 C LEU A 131 2.631 -6.836 -2.503 1.00 0.00 C ATOM 1991 O LEU A 131 3.031 -5.868 -3.142 1.00 0.00 O ATOM 1992 CB LEU A 131 1.994 -9.239 -2.962 1.00 0.00 C ATOM 1993 CG LEU A 131 1.055 -9.044 -4.164 1.00 0.00 C ATOM 1994 CD1 LEU A 131 0.302 -10.336 -4.434 1.00 0.00 C ATOM 1995 CD2 LEU A 131 0.050 -7.927 -3.917 1.00 0.00 C ATOM 0 H LEU A 131 3.689 -9.567 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 131 3.733 -8.203 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.418 -10.241 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.389 -9.207 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 131 1.667 -8.771 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.364 -10.198 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.013 -11.132 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.284 -10.606 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.596 -7.819 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.556 -8.169 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.581 -6.992 -3.742 1.00 0.00 H new ATOM 2007 N SER A 132 1.775 -6.732 -1.498 1.00 0.00 N ATOM 2008 CA SER A 132 1.068 -5.493 -1.213 1.00 0.00 C ATOM 2009 C SER A 132 2.009 -4.424 -0.650 1.00 0.00 C ATOM 2010 O SER A 132 2.134 -3.332 -1.205 1.00 0.00 O ATOM 2011 CB SER A 132 -0.062 -5.777 -0.225 1.00 0.00 C ATOM 2012 OG SER A 132 -0.733 -6.984 -0.557 1.00 0.00 O ATOM 0 H SER A 132 1.552 -7.497 -0.862 1.00 0.00 H new ATOM 0 HA SER A 132 0.657 -5.106 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.341 -5.846 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.771 -4.949 -0.229 1.00 0.00 H new ATOM 0 HG SER A 132 -0.228 -7.747 -0.205 1.00 0.00 H new ATOM 2018 N TRP A 133 2.692 -4.756 0.437 1.00 0.00 N ATOM 2019 CA TRP A 133 3.520 -3.790 1.146 1.00 0.00 C ATOM 2020 C TRP A 133 4.799 -3.461 0.378 1.00 0.00 C ATOM 2021 O TRP A 133 5.094 -2.294 0.136 1.00 0.00 O ATOM 2022 CB TRP A 133 3.854 -4.313 2.554 1.00 0.00 C ATOM 2023 CG TRP A 133 5.093 -3.709 3.154 1.00 0.00 C ATOM 2024 CD1 TRP A 133 5.283 -2.408 3.527 1.00 0.00 C ATOM 2025 CD2 TRP A 133 6.317 -4.392 3.450 1.00 0.00 C ATOM 2026 NE1 TRP A 133 6.556 -2.240 4.022 1.00 0.00 N ATOM 2027 CE2 TRP A 133 7.206 -3.445 3.991 1.00 0.00 C ATOM 2028 CE3 TRP A 133 6.744 -5.713 3.311 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 8.499 -3.778 4.386 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 8.028 -6.042 3.704 1.00 0.00 C ATOM 2031 CH2 TRP A 133 8.890 -5.079 4.240 1.00 0.00 C ATOM 0 H TRP A 133 2.689 -5.690 0.848 1.00 0.00 H new ATOM 0 HA TRP A 133 2.950 -2.865 1.233 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.009 -4.114 3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 133 3.975 -5.395 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.542 -1.626 3.445 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.951 -1.361 4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.084 -6.465 2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 9.169 -3.035 4.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 8.372 -7.060 3.595 1.00 0.00 H new ATOM 0 HH2 TRP A 133 9.885 -5.370 4.544 1.00 0.00 H new ATOM 2042 N LYS A 134 5.542 -4.480 -0.029 1.00 0.00 N ATOM 2043 CA LYS A 134 6.885 -4.258 -0.548 1.00 0.00 C ATOM 2044 C LYS A 134 6.855 -3.694 -1.966 1.00 0.00 C ATOM 2045 O LYS A 134 7.813 -3.060 -2.401 1.00 0.00 O ATOM 2046 CB LYS A 134 7.712 -5.545 -0.481 1.00 0.00 C ATOM 2047 CG LYS A 134 9.213 -5.323 -0.594 1.00 0.00 C ATOM 2048 CD LYS A 134 9.986 -6.546 -0.123 1.00 0.00 C ATOM 2049 CE LYS A 134 11.481 -6.271 -0.044 1.00 0.00 C ATOM 2050 NZ LYS A 134 12.117 -6.193 -1.386 1.00 0.00 N ATOM 0 H LYS A 134 5.244 -5.455 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 134 7.365 -3.512 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 134 7.500 -6.052 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.392 -6.212 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.474 -5.101 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.501 -4.456 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.620 -6.853 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.804 -7.376 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.647 -5.335 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.962 -7.058 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.134 -6.004 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.983 -7.095 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.679 -5.425 -1.934 1.00 0.00 H new ATOM 2064 N ALA A 135 5.760 -3.909 -2.692 1.00 0.00 N ATOM 2065 CA ALA A 135 5.613 -3.287 -4.002 1.00 0.00 C ATOM 2066 C ALA A 135 5.134 -1.846 -3.858 1.00 0.00 C ATOM 2067 O ALA A 135 5.422 -0.998 -4.700 1.00 0.00 O ATOM 2068 CB ALA A 135 4.664 -4.083 -4.885 1.00 0.00 C ATOM 0 H ALA A 135 4.978 -4.496 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 135 6.591 -3.281 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.574 -3.595 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.054 -5.092 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.683 -4.133 -4.412 1.00 0.00 H new ATOM 2074 N LEU A 136 4.426 -1.569 -2.769 1.00 0.00 N ATOM 2075 CA LEU A 136 3.917 -0.232 -2.511 1.00 0.00 C ATOM 2076 C LEU A 136 5.026 0.647 -1.958 1.00 0.00 C ATOM 2077 O LEU A 136 5.251 1.762 -2.430 1.00 0.00 O ATOM 2078 CB LEU A 136 2.759 -0.287 -1.513 1.00 0.00 C ATOM 2079 CG LEU A 136 2.114 1.060 -1.183 1.00 0.00 C ATOM 2080 CD1 LEU A 136 1.249 1.539 -2.338 1.00 0.00 C ATOM 2081 CD2 LEU A 136 1.301 0.962 0.094 1.00 0.00 C ATOM 0 H LEU A 136 4.193 -2.255 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 136 3.556 0.190 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.991 -0.951 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.120 -0.734 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 136 2.907 1.792 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.800 2.499 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.864 1.653 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.462 0.810 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.850 1.930 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 136 0.517 0.215 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.952 0.670 0.918 1.00 0.00 H new ATOM 2093 N GLU A 137 5.729 0.118 -0.963 1.00 0.00 N ATOM 2094 CA GLU A 137 6.801 0.845 -0.302 1.00 0.00 C ATOM 2095 C GLU A 137 7.957 1.088 -1.270 1.00 0.00 C ATOM 2096 O GLU A 137 8.693 2.064 -1.144 1.00 0.00 O ATOM 2097 CB GLU A 137 7.287 0.064 0.927 1.00 0.00 C ATOM 2098 CG GLU A 137 8.224 0.856 1.825 1.00 0.00 C ATOM 2099 CD GLU A 137 8.774 0.044 2.981 1.00 0.00 C ATOM 2100 OE1 GLU A 137 9.803 -0.638 2.797 1.00 0.00 O ATOM 2101 OE2 GLU A 137 8.204 0.112 4.091 1.00 0.00 O ATOM 0 H GLU A 137 5.572 -0.820 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 137 6.418 1.812 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.422 -0.254 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.796 -0.840 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 137 9.054 1.235 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.693 1.723 2.219 1.00 0.00 H new ATOM 2108 N LYS A 138 8.106 0.205 -2.253 1.00 0.00 N ATOM 2109 CA LYS A 138 9.191 0.340 -3.219 1.00 0.00 C ATOM 2110 C LYS A 138 8.773 1.220 -4.396 1.00 0.00 C ATOM 2111 O LYS A 138 9.615 1.692 -5.162 1.00 0.00 O ATOM 2112 CB LYS A 138 9.638 -1.027 -3.740 1.00 0.00 C ATOM 2113 CG LYS A 138 10.937 -0.968 -4.524 1.00 0.00 C ATOM 2114 CD LYS A 138 11.130 -2.189 -5.402 1.00 0.00 C ATOM 2115 CE LYS A 138 12.446 -2.117 -6.159 1.00 0.00 C ATOM 2116 NZ LYS A 138 12.607 -0.827 -6.880 1.00 0.00 N ATOM 0 H LYS A 138 7.498 -0.601 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 138 10.026 0.813 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.759 -1.709 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.855 -1.441 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.945 -0.071 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.774 -0.884 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 138 11.109 -3.089 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 138 10.304 -2.266 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 138 13.273 -2.247 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 138 12.499 -2.939 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 13.376 -0.912 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.721 -0.591 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.837 -0.075 -6.199 1.00 0.00 H new ATOM 2130 N GLY A 139 7.472 1.449 -4.522 1.00 0.00 N ATOM 2131 CA GLY A 139 6.945 2.199 -5.647 1.00 0.00 C ATOM 2132 C GLY A 139 7.538 3.589 -5.755 1.00 0.00 C ATOM 2133 O GLY A 139 7.912 4.030 -6.842 1.00 0.00 O ATOM 0 H GLY A 139 6.767 1.126 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.144 1.651 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 139 5.862 2.277 -5.550 1.00 0.00 H new ATOM 2137 N VAL A 140 7.649 4.264 -4.621 1.00 0.00 N ATOM 2138 CA VAL A 140 8.163 5.621 -4.579 1.00 0.00 C ATOM 2139 C VAL A 140 9.471 5.659 -3.807 1.00 0.00 C ATOM 2140 O VAL A 140 9.983 6.734 -3.488 1.00 0.00 O ATOM 2141 CB VAL A 140 7.148 6.572 -3.915 1.00 0.00 C ATOM 2142 CG1 VAL A 140 5.923 6.748 -4.798 1.00 0.00 C ATOM 2143 CG2 VAL A 140 6.740 6.037 -2.551 1.00 0.00 C ATOM 0 H VAL A 140 7.387 3.888 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 140 8.334 5.951 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 140 7.622 7.545 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.218 7.423 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.224 7.167 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.448 5.780 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.023 6.718 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 140 6.284 5.054 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.621 5.955 -1.914 1.00 0.00 H new ATOM 2153 N ALA A 141 10.006 4.464 -3.542 1.00 0.00 N ATOM 2154 CA ALA A 141 11.193 4.281 -2.706 1.00 0.00 C ATOM 2155 C ALA A 141 10.882 4.595 -1.245 1.00 0.00 C ATOM 2156 O ALA A 141 9.794 5.070 -0.912 1.00 0.00 O ATOM 2157 CB ALA A 141 12.365 5.120 -3.202 1.00 0.00 C ATOM 0 H ALA A 141 9.624 3.591 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 141 11.485 3.233 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.228 4.958 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 141 12.615 4.828 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 141 12.091 6.175 -3.183 1.00 0.00 H new ATOM 2163 N LYS A 142 11.837 4.316 -0.374 1.00 0.00 N ATOM 2164 CA LYS A 142 11.665 4.536 1.054 1.00 0.00 C ATOM 2165 C LYS A 142 13.008 4.838 1.705 1.00 0.00 C ATOM 2166 O LYS A 142 14.002 5.025 1.002 1.00 0.00 O ATOM 2167 CB LYS A 142 10.984 3.322 1.711 1.00 0.00 C ATOM 2168 CG LYS A 142 11.439 1.958 1.193 1.00 0.00 C ATOM 2169 CD LYS A 142 12.866 1.626 1.598 1.00 0.00 C ATOM 2170 CE LYS A 142 12.949 0.322 2.376 1.00 0.00 C ATOM 2171 NZ LYS A 142 12.243 0.402 3.682 1.00 0.00 N ATOM 0 H LYS A 142 12.747 3.934 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 142 11.016 5.399 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.164 3.363 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.907 3.407 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 142 10.769 1.187 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.360 1.941 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 142 13.489 1.556 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 142 13.268 2.437 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 142 12.518 -0.483 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 142 13.995 0.068 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.652 -0.291 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.349 1.359 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.233 0.195 3.544 1.00 0.00 H new ATOM 2185 N GLU A 143 13.035 4.908 3.034 1.00 0.00 N ATOM 2186 CA GLU A 143 14.286 5.144 3.759 1.00 0.00 C ATOM 2187 C GLU A 143 15.256 3.962 3.602 1.00 0.00 C ATOM 2188 O GLU A 143 15.098 3.125 2.714 1.00 0.00 O ATOM 2189 CB GLU A 143 13.991 5.430 5.240 1.00 0.00 C ATOM 2190 CG GLU A 143 12.983 4.480 5.876 1.00 0.00 C ATOM 2191 CD GLU A 143 13.533 3.091 6.117 1.00 0.00 C ATOM 2192 OE1 GLU A 143 14.154 2.873 7.178 1.00 0.00 O ATOM 2193 OE2 GLU A 143 13.354 2.216 5.243 1.00 0.00 O ATOM 0 H GLU A 143 12.213 4.806 3.629 1.00 0.00 H new ATOM 0 HA GLU A 143 14.774 6.018 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 143 14.924 5.378 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 143 13.619 6.450 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 143 12.648 4.900 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 143 12.106 4.409 5.232 1.00 0.00 H new ATOM 2200 N GLU A 144 16.276 3.896 4.440 1.00 0.00 N ATOM 2201 CA GLU A 144 17.219 2.790 4.367 1.00 0.00 C ATOM 2202 C GLU A 144 17.037 1.853 5.549 1.00 0.00 C ATOM 2203 O GLU A 144 17.785 1.913 6.527 1.00 0.00 O ATOM 2204 CB GLU A 144 18.659 3.291 4.309 1.00 0.00 C ATOM 2205 CG GLU A 144 18.942 4.189 3.119 1.00 0.00 C ATOM 2206 CD GLU A 144 20.420 4.433 2.918 1.00 0.00 C ATOM 2207 OE1 GLU A 144 21.131 4.674 3.915 1.00 0.00 O ATOM 2208 OE2 GLU A 144 20.885 4.371 1.760 1.00 0.00 O ATOM 0 H GLU A 144 16.472 4.582 5.168 1.00 0.00 H new ATOM 0 HA GLU A 144 17.014 2.241 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 144 18.883 3.836 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 144 19.332 2.434 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 144 18.526 3.736 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 144 18.435 5.144 3.259 1.00 0.00 H new ATOM 2215 N GLY A 145 16.008 1.027 5.472 1.00 0.00 N ATOM 2216 CA GLY A 145 15.741 0.063 6.514 1.00 0.00 C ATOM 2217 C GLY A 145 15.149 -1.210 5.954 1.00 0.00 C ATOM 2218 O GLY A 145 14.259 -1.168 5.103 1.00 0.00 O ATOM 0 H GLY A 145 15.346 1.008 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 145 16.665 -0.167 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 145 15.055 0.494 7.243 1.00 0.00 H new ATOM 2222 N GLY A 146 15.648 -2.341 6.424 1.00 0.00 N ATOM 2223 CA GLY A 146 15.170 -3.621 5.952 1.00 0.00 C ATOM 2224 C GLY A 146 16.172 -4.717 6.225 1.00 0.00 C ATOM 2225 O GLY A 146 17.143 -4.869 5.484 1.00 0.00 O ATOM 0 H GLY A 146 16.382 -2.395 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 146 14.225 -3.860 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 146 14.972 -3.565 4.882 1.00 0.00 H new ATOM 2229 N ASN A 147 15.942 -5.466 7.300 1.00 0.00 N ATOM 2230 CA ASN A 147 16.848 -6.540 7.716 1.00 0.00 C ATOM 2231 C ASN A 147 18.240 -5.989 8.025 1.00 0.00 C ATOM 2232 O ASN A 147 18.377 -4.891 8.583 1.00 0.00 O ATOM 2233 CB ASN A 147 16.940 -7.635 6.641 1.00 0.00 C ATOM 2234 CG ASN A 147 15.615 -8.341 6.403 1.00 0.00 C ATOM 2235 OD1 ASN A 147 14.794 -8.473 7.313 1.00 0.00 O ATOM 2236 ND2 ASN A 147 15.394 -8.800 5.180 1.00 0.00 N ATOM 0 H ASN A 147 15.129 -5.349 7.905 1.00 0.00 H new ATOM 0 HA ASN A 147 16.439 -6.983 8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 147 17.283 -7.192 5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.689 -8.369 6.940 1.00 0.00 H new ATOM 0 HD21 ASN A 147 14.521 -9.281 4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 147 16.097 -8.672 4.452 1.00 0.00 H new TER 2243 ASN A 147 HETATM 2244 ZN ZN A 150 -2.999 -12.280 -1.904 1.00 0.00 ZN