USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 932 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 27 GLN : amide:sc= -0.0362 K(o=0.0036,f=-3.2!) USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.477 K(o=0.0036,f=0.76) USER MOD Set 1.3: A 47 CYS SG : rot -109:sc= 0.517 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 53:sc= 1.1 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -170:sc= -0.0671 (180deg=-0.438) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.062 USER MOD Single : A 40 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 56 THR OG1 : rot 70:sc= 0.763 USER MOD Single : A 58 CYS SG : rot 160:sc= -0.82 USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.095 (180deg=-0.475) USER MOD Single : A 62 TYR OH : rot -101:sc= 0.0335 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0011 X(o=-0.0011,f=-0.27) USER MOD Single : A 67 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.0937 X(o=0.094,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0951 (180deg=-0.339) USER MOD Single : A 74 ASN : amide:sc= -0.0704 K(o=-0.07,f=-1.2!) USER MOD Single : A 80 SER OG : rot -170:sc= -0.243 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00138) USER MOD Single : A 91 HIS : no HE2:sc= 0.256 K(o=0.26,f=-2.6!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= -0.444 K(o=-0.44,f=-4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.405 K(o=-0.4,f=-2) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.396 -2.595 -14.386 1.00 1.25 N ATOM 2 CA GLY A 1 -13.859 -2.600 -14.454 1.00 24.31 C ATOM 3 C GLY A 1 -14.445 -1.985 -13.200 1.00 74.41 C ATOM 4 O GLY A 1 -14.475 -0.765 -13.126 1.00 72.14 O ATOM 0 H1 GLY A 1 -12.007 -3.019 -15.252 1.00 1.25 H new ATOM 0 H2 GLY A 1 -12.056 -1.616 -14.297 1.00 1.25 H new ATOM 0 H3 GLY A 1 -12.085 -3.146 -13.561 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -14.191 -2.043 -15.330 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -14.221 -3.622 -14.570 1.00 24.31 H new ATOM 8 N PRO A 2 -14.839 -2.772 -12.181 1.00 21.13 N ATOM 9 CA PRO A 2 -15.795 -2.298 -11.180 1.00 33.10 C ATOM 10 C PRO A 2 -15.230 -1.364 -10.109 1.00 31.23 C ATOM 11 O PRO A 2 -16.014 -0.822 -9.336 1.00 32.32 O ATOM 12 CB PRO A 2 -16.381 -3.565 -10.546 1.00 20.42 C ATOM 13 CG PRO A 2 -15.274 -4.601 -10.729 1.00 53.34 C ATOM 14 CD PRO A 2 -14.698 -4.220 -12.090 1.00 51.34 C ATOM 0 HA PRO A 2 -16.537 -1.673 -11.678 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -16.619 -3.414 -9.493 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -17.303 -3.871 -11.040 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -14.526 -4.541 -9.939 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -15.664 -5.619 -10.722 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -13.653 -4.518 -12.171 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -15.235 -4.718 -12.897 1.00 51.34 H new ATOM 22 N LEU A 3 -13.906 -1.207 -10.000 1.00 33.52 N ATOM 23 CA LEU A 3 -13.233 -0.478 -8.914 1.00 53.12 C ATOM 24 C LEU A 3 -13.659 -0.960 -7.505 1.00 21.41 C ATOM 25 O LEU A 3 -13.461 -0.251 -6.517 1.00 21.53 O ATOM 26 CB LEU A 3 -13.338 1.056 -9.117 1.00 51.24 C ATOM 27 CG LEU A 3 -12.307 1.654 -10.102 1.00 72.34 C ATOM 28 CD1 LEU A 3 -12.547 1.232 -11.556 1.00 44.30 C ATOM 29 CD2 LEU A 3 -12.309 3.185 -10.032 1.00 70.30 C ATOM 0 H LEU A 3 -13.253 -1.593 -10.682 1.00 33.52 H new ATOM 0 HA LEU A 3 -12.172 -0.720 -8.968 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -14.340 1.293 -9.474 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -13.221 1.545 -8.150 1.00 51.24 H new ATOM 0 HG LEU A 3 -11.340 1.259 -9.790 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -11.790 1.685 -12.196 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -12.486 0.147 -11.635 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -13.536 1.564 -11.873 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -11.576 3.582 -10.734 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -13.299 3.560 -10.291 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -12.053 3.503 -9.021 1.00 70.30 H new ATOM 41 N GLY A 4 -14.191 -2.182 -7.383 1.00 55.33 N ATOM 42 CA GLY A 4 -14.537 -2.821 -6.122 1.00 41.35 C ATOM 43 C GLY A 4 -14.711 -4.321 -6.349 1.00 40.13 C ATOM 44 O GLY A 4 -15.570 -4.723 -7.139 1.00 43.23 O ATOM 0 H GLY A 4 -14.397 -2.768 -8.192 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -13.756 -2.641 -5.383 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -15.457 -2.392 -5.724 1.00 41.35 H new ATOM 48 N SER A 5 -13.870 -5.152 -5.726 1.00 42.54 N ATOM 49 CA SER A 5 -13.944 -6.607 -5.823 1.00 3.44 C ATOM 50 C SER A 5 -13.153 -7.231 -4.671 1.00 4.11 C ATOM 51 O SER A 5 -11.958 -7.504 -4.805 1.00 1.13 O ATOM 52 CB SER A 5 -13.454 -7.049 -7.216 1.00 3.10 C ATOM 53 OG SER A 5 -13.608 -8.434 -7.472 1.00 33.13 O ATOM 0 H SER A 5 -13.108 -4.825 -5.132 1.00 42.54 H new ATOM 0 HA SER A 5 -14.971 -6.957 -5.725 1.00 3.44 H new ATOM 0 HB2 SER A 5 -13.998 -6.488 -7.975 1.00 3.10 H new ATOM 0 HB3 SER A 5 -12.401 -6.787 -7.319 1.00 3.10 H new ATOM 0 HG SER A 5 -13.278 -8.639 -8.372 1.00 33.13 H new ATOM 59 N LEU A 6 -13.812 -7.443 -3.533 1.00 13.12 N ATOM 60 CA LEU A 6 -13.315 -8.151 -2.356 1.00 4.11 C ATOM 61 C LEU A 6 -14.514 -8.877 -1.754 1.00 45.43 C ATOM 62 O LEU A 6 -15.560 -8.253 -1.567 1.00 60.30 O ATOM 63 CB LEU A 6 -12.738 -7.164 -1.317 1.00 72.24 C ATOM 64 CG LEU A 6 -11.392 -6.524 -1.706 1.00 35.44 C ATOM 65 CD1 LEU A 6 -11.058 -5.316 -0.825 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.245 -7.532 -1.606 1.00 61.12 C ATOM 0 H LEU A 6 -14.765 -7.104 -3.401 1.00 13.12 H new ATOM 0 HA LEU A 6 -12.516 -8.839 -2.633 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.466 -6.370 -1.149 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.614 -7.688 -0.370 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.500 -6.194 -2.739 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -10.101 -4.895 -1.133 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.838 -4.562 -0.931 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.997 -5.631 0.217 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.310 -7.048 -1.887 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.171 -7.898 -0.582 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.437 -8.369 -2.277 1.00 61.12 H new ATOM 78 N ASP A 7 -14.398 -10.172 -1.457 1.00 75.13 N ATOM 79 CA ASP A 7 -15.492 -10.896 -0.810 1.00 1.34 C ATOM 80 C ASP A 7 -15.718 -10.391 0.619 1.00 50.11 C ATOM 81 O ASP A 7 -14.932 -9.601 1.143 1.00 25.20 O ATOM 82 CB ASP A 7 -15.254 -12.403 -0.780 1.00 22.15 C ATOM 83 CG ASP A 7 -16.602 -13.099 -0.818 1.00 51.25 C ATOM 84 OD1 ASP A 7 -17.201 -13.185 -1.913 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -17.084 -13.488 0.258 1.00 12.54 O ATOM 0 H ASP A 7 -13.569 -10.734 -1.651 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.382 -10.704 -1.410 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.645 -12.708 -1.631 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.707 -12.683 0.120 1.00 22.15 H new ATOM 90 N GLN A 8 -16.759 -10.870 1.294 1.00 35.03 N ATOM 91 CA GLN A 8 -17.092 -10.510 2.662 1.00 31.00 C ATOM 92 C GLN A 8 -15.907 -10.785 3.604 1.00 15.44 C ATOM 93 O GLN A 8 -15.452 -9.899 4.328 1.00 42.40 O ATOM 94 CB GLN A 8 -18.415 -11.214 3.025 1.00 11.40 C ATOM 95 CG GLN A 8 -18.337 -12.709 3.366 1.00 73.15 C ATOM 96 CD GLN A 8 -19.690 -13.412 3.280 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.226 -13.639 2.197 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.260 -13.819 4.401 1.00 23.44 N ATOM 0 H GLN A 8 -17.412 -11.540 0.888 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.263 -9.440 2.776 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.853 -10.694 3.877 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -19.104 -11.092 2.189 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -17.637 -13.195 2.686 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -17.936 -12.826 4.373 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -19.813 -13.630 5.298 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.146 -14.323 4.369 1.00 23.44 H new ATOM 107 N LYS A 9 -15.361 -12.002 3.557 1.00 54.03 N ATOM 108 CA LYS A 9 -14.253 -12.444 4.391 1.00 31.31 C ATOM 109 C LYS A 9 -12.957 -11.775 3.964 1.00 71.23 C ATOM 110 O LYS A 9 -12.195 -11.333 4.822 1.00 2.24 O ATOM 111 CB LYS A 9 -14.172 -13.960 4.235 1.00 54.31 C ATOM 112 CG LYS A 9 -13.375 -14.703 5.302 1.00 72.00 C ATOM 113 CD LYS A 9 -13.341 -16.184 4.894 1.00 23.34 C ATOM 114 CE LYS A 9 -13.053 -17.103 6.084 1.00 1.24 C ATOM 115 NZ LYS A 9 -14.188 -18.012 6.352 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.691 -12.725 2.917 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.411 -12.172 5.435 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -15.187 -14.358 4.225 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -13.733 -14.182 3.262 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -12.365 -14.301 5.377 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -13.839 -14.584 6.281 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.297 -16.459 4.448 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -12.578 -16.332 4.130 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -12.156 -17.688 5.884 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -12.850 -16.501 6.970 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -13.961 -18.621 7.164 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -15.038 -17.452 6.566 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -14.365 -18.603 5.515 1.00 21.22 H new ATOM 129 N THR A 10 -12.704 -11.708 2.657 1.00 74.25 N ATOM 130 CA THR A 10 -11.505 -11.129 2.077 1.00 13.54 C ATOM 131 C THR A 10 -11.382 -9.674 2.525 1.00 52.52 C ATOM 132 O THR A 10 -10.351 -9.292 3.074 1.00 61.23 O ATOM 133 CB THR A 10 -11.580 -11.264 0.547 1.00 0.01 C ATOM 134 OG1 THR A 10 -12.113 -12.525 0.197 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.222 -11.095 -0.133 1.00 21.15 C ATOM 0 H THR A 10 -13.352 -12.068 1.956 1.00 74.25 H new ATOM 0 HA THR A 10 -10.612 -11.653 2.417 1.00 13.54 H new ATOM 0 HB THR A 10 -12.228 -10.461 0.197 1.00 0.01 H new ATOM 0 HG1 THR A 10 -12.159 -12.601 -0.779 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.339 -11.201 -1.211 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.822 -10.106 0.093 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.534 -11.857 0.234 1.00 21.15 H new ATOM 143 N PHE A 11 -12.454 -8.892 2.356 1.00 2.31 N ATOM 144 CA PHE A 11 -12.563 -7.511 2.794 1.00 54.43 C ATOM 145 C PHE A 11 -12.197 -7.405 4.269 1.00 2.41 C ATOM 146 O PHE A 11 -11.383 -6.560 4.636 1.00 32.02 O ATOM 147 CB PHE A 11 -13.993 -7.018 2.531 1.00 25.32 C ATOM 148 CG PHE A 11 -14.239 -5.551 2.818 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.884 -4.587 1.856 1.00 32.05 C ATOM 150 CD2 PHE A 11 -14.808 -5.144 4.042 1.00 71.24 C ATOM 151 CE1 PHE A 11 -14.054 -3.220 2.130 1.00 20.31 C ATOM 152 CE2 PHE A 11 -14.984 -3.772 4.312 1.00 72.32 C ATOM 153 CZ PHE A 11 -14.591 -2.811 3.362 1.00 65.24 C ATOM 0 H PHE A 11 -13.299 -9.225 1.891 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.870 -6.881 2.237 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.240 -7.213 1.487 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.680 -7.609 3.137 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.480 -4.899 0.904 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -15.108 -5.882 4.771 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -13.772 -2.483 1.393 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -15.421 -3.458 5.249 1.00 72.32 H new ATOM 0 HZ PHE A 11 -14.702 -1.759 3.580 1.00 65.24 H new ATOM 163 N SER A 12 -12.781 -8.260 5.109 1.00 52.41 N ATOM 164 CA SER A 12 -12.526 -8.271 6.541 1.00 3.30 C ATOM 165 C SER A 12 -11.026 -8.424 6.833 1.00 51.11 C ATOM 166 O SER A 12 -10.475 -7.654 7.625 1.00 3.04 O ATOM 167 CB SER A 12 -13.364 -9.381 7.185 1.00 34.53 C ATOM 168 OG SER A 12 -13.544 -9.102 8.557 1.00 33.32 O ATOM 0 H SER A 12 -13.450 -8.969 4.807 1.00 52.41 H new ATOM 0 HA SER A 12 -12.823 -7.318 6.978 1.00 3.30 H new ATOM 0 HB2 SER A 12 -14.332 -9.455 6.688 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.868 -10.344 7.061 1.00 34.53 H new ATOM 0 HG SER A 12 -14.081 -9.811 8.967 1.00 33.32 H new ATOM 174 N ILE A 13 -10.366 -9.379 6.170 1.00 45.32 N ATOM 175 CA ILE A 13 -8.947 -9.683 6.341 1.00 14.50 C ATOM 176 C ILE A 13 -8.088 -8.484 5.914 1.00 34.12 C ATOM 177 O ILE A 13 -7.080 -8.204 6.568 1.00 34.35 O ATOM 178 CB ILE A 13 -8.599 -10.992 5.586 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.294 -12.192 6.264 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.083 -11.256 5.530 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.408 -13.451 5.394 1.00 3.22 C ATOM 0 H ILE A 13 -10.820 -9.978 5.480 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.723 -9.856 7.394 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.955 -10.872 4.563 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -8.746 -12.444 7.172 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.295 -11.888 6.570 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.895 -12.184 4.991 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.589 -10.431 5.016 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.691 -11.339 6.543 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -9.910 -14.238 5.957 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.984 -13.223 4.497 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.411 -13.788 5.109 1.00 3.22 H new ATOM 193 N CYS A 14 -8.479 -7.740 4.869 1.00 42.43 N ATOM 194 CA CYS A 14 -7.762 -6.525 4.476 1.00 71.02 C ATOM 195 C CYS A 14 -7.601 -5.555 5.652 1.00 75.44 C ATOM 196 O CYS A 14 -6.494 -5.079 5.910 1.00 53.24 O ATOM 197 CB CYS A 14 -8.457 -5.785 3.329 1.00 61.45 C ATOM 198 SG CYS A 14 -8.820 -6.840 1.905 1.00 44.54 S ATOM 0 H CYS A 14 -9.285 -7.960 4.284 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.781 -6.860 4.140 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -9.387 -5.352 3.697 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.826 -4.957 3.006 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.480 -7.888 2.299 1.00 44.54 H new ATOM 204 N LYS A 15 -8.694 -5.267 6.367 1.00 61.20 N ATOM 205 CA LYS A 15 -8.677 -4.364 7.523 1.00 71.41 C ATOM 206 C LYS A 15 -7.721 -4.865 8.595 1.00 64.32 C ATOM 207 O LYS A 15 -7.022 -4.052 9.201 1.00 53.44 O ATOM 208 CB LYS A 15 -10.072 -4.180 8.152 1.00 2.12 C ATOM 209 CG LYS A 15 -11.176 -3.988 7.112 1.00 72.43 C ATOM 210 CD LYS A 15 -12.507 -3.474 7.675 1.00 54.23 C ATOM 211 CE LYS A 15 -12.576 -1.949 7.538 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.799 -1.387 8.147 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.615 -5.653 6.161 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.340 -3.399 7.143 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.306 -5.050 8.765 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.053 -3.317 8.818 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.824 -3.289 6.354 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.353 -4.939 6.610 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.339 -3.934 7.142 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.603 -3.759 8.723 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -11.700 -1.504 8.010 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.541 -1.679 6.483 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -13.802 -0.354 8.030 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.636 -1.791 7.680 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -13.821 -1.621 9.160 1.00 53.52 H new ATOM 226 N GLU A 16 -7.709 -6.175 8.841 1.00 32.01 N ATOM 227 CA GLU A 16 -6.857 -6.793 9.848 1.00 34.41 C ATOM 228 C GLU A 16 -5.379 -6.690 9.449 1.00 35.03 C ATOM 229 O GLU A 16 -4.540 -6.441 10.314 1.00 3.44 O ATOM 230 CB GLU A 16 -7.290 -8.248 10.086 1.00 11.31 C ATOM 231 CG GLU A 16 -8.681 -8.336 10.724 1.00 11.31 C ATOM 232 CD GLU A 16 -9.059 -9.776 11.057 1.00 44.31 C ATOM 233 OE1 GLU A 16 -9.373 -10.565 10.130 1.00 55.10 O1- ATOM 234 OE2 GLU A 16 -9.071 -10.164 12.242 1.00 73.22 O ATOM 0 H GLU A 16 -8.298 -6.841 8.340 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.971 -6.255 10.789 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.291 -8.786 9.138 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.563 -8.742 10.731 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.703 -7.734 11.633 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.421 -7.914 10.044 1.00 11.31 H new ATOM 241 N ARG A 17 -5.042 -6.819 8.158 1.00 63.14 N ATOM 242 CA ARG A 17 -3.674 -6.597 7.680 1.00 23.14 C ATOM 243 C ARG A 17 -3.283 -5.138 7.843 1.00 53.13 C ATOM 244 O ARG A 17 -2.212 -4.849 8.373 1.00 22.52 O ATOM 245 CB ARG A 17 -3.502 -7.019 6.209 1.00 51.25 C ATOM 246 CG ARG A 17 -3.001 -8.457 6.067 1.00 12.51 C ATOM 247 CD ARG A 17 -4.067 -9.502 6.372 1.00 23.13 C ATOM 248 NE ARG A 17 -3.481 -10.847 6.284 1.00 4.42 N ATOM 249 CZ ARG A 17 -3.492 -11.800 7.222 1.00 41.23 C ATOM 250 NH1 ARG A 17 -4.161 -11.638 8.359 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.850 -12.933 6.983 1.00 54.34 N ATOM 0 H ARG A 17 -5.703 -7.077 7.425 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.017 -7.220 8.288 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.456 -6.917 5.691 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.800 -6.343 5.720 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.635 -8.608 5.051 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -2.154 -8.607 6.737 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -4.477 -9.338 7.369 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -4.894 -9.408 5.668 1.00 23.13 H new ATOM 0 HE ARG A 17 -3.013 -11.080 5.408 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -4.678 -10.775 8.528 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -4.157 -12.377 9.063 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.361 -13.065 6.098 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -2.845 -13.674 7.684 1.00 54.34 H new ATOM 265 N MET A 18 -4.122 -4.206 7.391 1.00 71.35 N ATOM 266 CA MET A 18 -3.862 -2.772 7.478 1.00 21.12 C ATOM 267 C MET A 18 -4.133 -2.246 8.901 1.00 10.24 C ATOM 268 O MET A 18 -4.835 -1.248 9.086 1.00 60.01 O ATOM 269 CB MET A 18 -4.694 -2.026 6.424 1.00 35.41 C ATOM 270 CG MET A 18 -4.324 -2.300 4.962 1.00 63.51 C ATOM 271 SD MET A 18 -2.654 -1.868 4.435 1.00 62.02 S ATOM 272 CE MET A 18 -1.909 -3.501 4.511 1.00 72.55 C ATOM 0 H MET A 18 -5.013 -4.431 6.948 1.00 71.35 H new ATOM 0 HA MET A 18 -2.808 -2.589 7.269 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.743 -2.285 6.568 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.602 -0.956 6.607 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.474 -3.362 4.770 1.00 63.51 H new ATOM 0 HG3 MET A 18 -5.028 -1.759 4.329 1.00 63.51 H new ATOM 0 HE1 MET A 18 -0.829 -3.414 4.391 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.131 -3.958 5.476 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.314 -4.123 3.713 1.00 72.55 H new ATOM 282 N ARG A 19 -3.594 -2.909 9.924 1.00 70.53 N ATOM 283 CA ARG A 19 -3.700 -2.527 11.328 1.00 32.31 C ATOM 284 C ARG A 19 -2.548 -1.592 11.678 1.00 1.35 C ATOM 285 O ARG A 19 -2.832 -0.443 12.031 1.00 33.22 O ATOM 286 CB ARG A 19 -3.720 -3.770 12.242 1.00 55.31 C ATOM 287 CG ARG A 19 -5.120 -4.306 12.570 1.00 70.22 C ATOM 288 CD ARG A 19 -5.870 -3.356 13.505 1.00 11.33 C ATOM 289 NE ARG A 19 -7.024 -3.995 14.156 1.00 22.22 N ATOM 290 CZ ARG A 19 -7.826 -3.387 15.036 1.00 44.22 C ATOM 291 NH1 ARG A 19 -7.729 -2.070 15.229 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -8.761 -4.074 15.675 1.00 44.53 N ATOM 0 H ARG A 19 -3.050 -3.761 9.789 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.642 -2.003 11.490 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.145 -4.564 11.765 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.212 -3.526 13.175 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.687 -4.437 11.649 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.037 -5.288 13.035 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.185 -2.988 14.269 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -6.211 -2.489 12.939 1.00 11.33 H new ATOM 0 HE ARG A 19 -7.226 -4.967 13.920 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -7.043 -1.527 14.705 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -8.341 -1.607 15.900 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -8.872 -5.072 15.497 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -9.370 -3.605 16.345 1.00 44.53 H new ATOM 306 N PRO A 20 -1.270 -1.996 11.541 1.00 55.23 N ATOM 307 CA PRO A 20 -0.151 -1.131 11.881 1.00 5.31 C ATOM 308 C PRO A 20 -0.138 0.144 11.040 1.00 5.24 C ATOM 309 O PRO A 20 0.074 1.227 11.579 1.00 22.40 O ATOM 310 CB PRO A 20 1.101 -1.991 11.704 1.00 24.21 C ATOM 311 CG PRO A 20 0.683 -3.089 10.739 1.00 41.52 C ATOM 312 CD PRO A 20 -0.762 -3.310 11.158 1.00 62.13 C ATOM 0 HA PRO A 20 -0.217 -0.764 12.905 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.929 -1.406 11.304 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.434 -2.406 12.655 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.767 -2.777 9.698 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.287 -3.989 10.852 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.346 -3.732 10.340 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.825 -4.011 11.990 1.00 62.13 H new ATOM 320 N VAL A 21 -0.469 0.052 9.753 1.00 53.43 N ATOM 321 CA VAL A 21 -0.398 1.177 8.824 1.00 65.33 C ATOM 322 C VAL A 21 -1.670 2.044 8.800 1.00 34.13 C ATOM 323 O VAL A 21 -1.766 2.935 7.960 1.00 65.24 O ATOM 324 CB VAL A 21 0.061 0.682 7.433 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.557 0.357 7.472 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.692 -0.558 6.935 1.00 41.14 C ATOM 0 H VAL A 21 -0.797 -0.813 9.323 1.00 53.43 H new ATOM 0 HA VAL A 21 0.360 1.869 9.190 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.158 1.493 6.738 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.879 0.008 6.491 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.117 1.253 7.741 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.741 -0.422 8.212 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.313 -0.844 5.954 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.543 -1.380 7.635 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.756 -0.333 6.862 1.00 41.14 H new ATOM 336 N LYS A 22 -2.646 1.849 9.707 1.00 4.01 N ATOM 337 CA LYS A 22 -3.909 2.614 9.699 1.00 52.15 C ATOM 338 C LYS A 22 -3.688 4.124 9.556 1.00 32.24 C ATOM 339 O LYS A 22 -4.338 4.769 8.727 1.00 35.14 O ATOM 340 CB LYS A 22 -4.749 2.349 10.966 1.00 14.31 C ATOM 341 CG LYS A 22 -6.020 1.526 10.698 1.00 51.24 C ATOM 342 CD LYS A 22 -7.086 1.871 11.751 1.00 4.42 C ATOM 343 CE LYS A 22 -8.349 1.014 11.616 1.00 30.13 C ATOM 344 NZ LYS A 22 -9.425 1.512 12.500 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.583 1.163 10.460 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.453 2.261 8.823 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.134 1.825 11.697 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.031 3.303 11.412 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.399 1.738 9.698 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.791 0.461 10.733 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.664 1.735 12.747 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.354 2.923 11.659 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.690 1.024 10.581 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -8.118 -0.022 11.866 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -10.269 0.915 12.390 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.105 1.480 13.489 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -9.659 2.492 12.244 1.00 62.13 H new ATOM 358 N ALA A 23 -2.793 4.691 10.370 1.00 3.10 N ATOM 359 CA ALA A 23 -2.508 6.117 10.332 1.00 60.23 C ATOM 360 C ALA A 23 -2.029 6.537 8.941 1.00 22.25 C ATOM 361 O ALA A 23 -2.492 7.568 8.454 1.00 61.41 O ATOM 362 CB ALA A 23 -1.493 6.489 11.418 1.00 13.54 C ATOM 0 H ALA A 23 -2.254 4.175 11.065 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.428 6.664 10.538 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.291 7.559 11.376 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.898 6.235 12.397 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.567 5.938 11.254 1.00 13.54 H new ATOM 368 N ALA A 24 -1.153 5.741 8.311 1.00 33.30 N ATOM 369 CA ALA A 24 -0.628 5.985 6.973 1.00 54.32 C ATOM 370 C ALA A 24 -1.728 5.938 5.914 1.00 25.33 C ATOM 371 O ALA A 24 -1.726 6.800 5.037 1.00 41.25 O ATOM 372 CB ALA A 24 0.507 5.006 6.649 1.00 1.31 C ATOM 0 H ALA A 24 -0.785 4.889 8.735 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.218 6.995 6.957 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.884 5.206 5.646 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.313 5.132 7.372 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.131 3.984 6.699 1.00 1.31 H new ATOM 378 N LEU A 25 -2.668 4.980 6.001 1.00 62.25 N ATOM 379 CA LEU A 25 -3.804 4.950 5.075 1.00 63.42 C ATOM 380 C LEU A 25 -4.561 6.264 5.180 1.00 64.02 C ATOM 381 O LEU A 25 -4.778 6.939 4.179 1.00 34.33 O ATOM 382 CB LEU A 25 -4.817 3.812 5.320 1.00 1.32 C ATOM 383 CG LEU A 25 -4.452 2.456 4.697 1.00 2.24 C ATOM 384 CD1 LEU A 25 -3.552 1.657 5.639 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.733 1.656 4.411 1.00 60.44 C ATOM 0 H LEU A 25 -2.661 4.230 6.692 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.369 4.781 4.090 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -4.934 3.678 6.395 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -5.787 4.122 4.930 1.00 1.32 H new ATOM 0 HG LEU A 25 -3.915 2.635 3.766 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -3.304 0.700 5.180 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -2.636 2.217 5.829 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -4.073 1.484 6.581 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -5.471 0.695 3.969 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -6.275 1.491 5.342 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -6.363 2.214 3.718 1.00 60.44 H new ATOM 397 N LYS A 26 -5.007 6.636 6.384 1.00 54.00 N ATOM 398 CA LYS A 26 -5.806 7.842 6.534 1.00 74.52 C ATOM 399 C LYS A 26 -5.027 9.077 6.075 1.00 13.22 C ATOM 400 O LYS A 26 -5.577 9.900 5.354 1.00 65.43 O ATOM 401 CB LYS A 26 -6.333 7.932 7.968 1.00 21.25 C ATOM 402 CG LYS A 26 -7.689 7.191 8.068 1.00 45.03 C ATOM 403 CD LYS A 26 -8.388 7.296 9.429 1.00 54.44 C ATOM 404 CE LYS A 26 -8.895 8.707 9.758 1.00 30.32 C ATOM 405 NZ LYS A 26 -10.206 9.072 9.175 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.830 6.126 7.250 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.678 7.797 5.882 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.614 7.492 8.659 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.455 8.976 8.257 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.358 7.584 7.302 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -7.528 6.137 7.840 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.230 6.604 9.449 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -7.695 6.978 10.208 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.960 8.806 10.842 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -8.153 9.428 9.416 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -10.454 10.042 9.458 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.152 9.017 8.138 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -10.934 8.414 9.519 1.00 3.34 H new ATOM 419 N GLN A 27 -3.739 9.168 6.394 1.00 44.31 N ATOM 420 CA GLN A 27 -2.838 10.207 5.891 1.00 45.20 C ATOM 421 C GLN A 27 -2.841 10.332 4.360 1.00 75.11 C ATOM 422 O GLN A 27 -2.813 11.457 3.866 1.00 3.23 O ATOM 423 CB GLN A 27 -1.416 9.982 6.439 1.00 63.33 C ATOM 424 CG GLN A 27 -1.322 10.466 7.898 1.00 62.13 C ATOM 425 CD GLN A 27 -0.310 9.737 8.790 1.00 71.01 C ATOM 426 OE1 GLN A 27 0.379 8.791 8.415 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.218 10.162 10.038 1.00 1.20 N ATOM 0 H GLN A 27 -3.280 8.509 7.023 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.215 11.162 6.258 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.161 8.924 6.383 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -0.693 10.518 5.824 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -1.071 11.527 7.891 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -2.308 10.375 8.353 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.788 10.947 10.353 1.00 1.20 H new ATOM 0 HE22 GLN A 27 0.423 9.705 10.686 1.00 1.20 H new ATOM 436 N LEU A 28 -2.906 9.234 3.600 1.00 32.11 N ATOM 437 CA LEU A 28 -2.890 9.255 2.128 1.00 1.43 C ATOM 438 C LEU A 28 -4.213 9.723 1.496 1.00 13.42 C ATOM 439 O LEU A 28 -4.350 9.702 0.268 1.00 2.11 O ATOM 440 CB LEU A 28 -2.460 7.867 1.596 1.00 33.02 C ATOM 441 CG LEU A 28 -1.032 7.822 1.020 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.900 8.645 -0.267 1.00 34.30 C ATOM 443 CD2 LEU A 28 0.011 8.270 2.051 1.00 62.12 C ATOM 0 H LEU A 28 -2.972 8.294 3.991 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.159 10.004 1.825 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.535 7.141 2.406 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.161 7.555 0.822 1.00 33.02 H new ATOM 0 HG LEU A 28 -0.837 6.780 0.769 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.124 8.583 -0.635 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.582 8.252 -1.022 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.149 9.686 -0.060 1.00 34.30 H new ATOM 0 HD21 LEU A 28 1.005 8.224 1.606 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.201 9.293 2.362 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.029 7.612 2.919 1.00 62.12 H new ATOM 455 N ASP A 29 -5.195 10.112 2.312 1.00 4.35 N ATOM 456 CA ASP A 29 -6.514 10.611 1.919 1.00 23.20 C ATOM 457 C ASP A 29 -6.809 11.945 2.602 1.00 70.54 C ATOM 458 O ASP A 29 -7.091 12.940 1.941 1.00 54.23 O ATOM 459 CB ASP A 29 -7.550 9.552 2.295 1.00 44.14 C ATOM 460 CG ASP A 29 -8.988 10.061 2.370 1.00 22.52 C ATOM 461 OD1 ASP A 29 -9.474 10.739 1.439 1.00 42.44 O ATOM 462 OD2 ASP A 29 -9.636 9.779 3.398 1.00 31.42 O1- ATOM 0 H ASP A 29 -5.084 10.085 3.326 1.00 4.35 H new ATOM 0 HA ASP A 29 -6.548 10.790 0.844 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.503 8.743 1.566 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.279 9.126 3.261 1.00 44.14 H new ATOM 467 N ARG A 30 -6.713 11.989 3.929 1.00 1.15 N ATOM 468 CA ARG A 30 -6.941 13.164 4.756 1.00 60.23 C ATOM 469 C ARG A 30 -5.868 13.186 5.854 1.00 21.12 C ATOM 470 O ARG A 30 -6.087 12.632 6.940 1.00 42.23 O ATOM 471 CB ARG A 30 -8.406 13.169 5.225 1.00 12.30 C ATOM 472 CG ARG A 30 -8.714 14.163 6.351 1.00 32.22 C ATOM 473 CD ARG A 30 -10.193 14.556 6.319 1.00 61.42 C ATOM 474 NE ARG A 30 -10.560 15.338 7.505 1.00 74.33 N ATOM 475 CZ ARG A 30 -10.324 16.632 7.731 1.00 54.25 C ATOM 476 NH1 ARG A 30 -9.611 17.366 6.882 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -10.792 17.189 8.840 1.00 42.22 N ATOM 0 H ARG A 30 -6.463 11.167 4.479 1.00 1.15 H new ATOM 0 HA ARG A 30 -6.826 14.105 4.218 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -9.046 13.397 4.372 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.669 12.166 5.562 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -8.469 13.718 7.316 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -8.092 15.051 6.242 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.398 15.136 5.420 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.809 13.659 6.267 1.00 61.42 H new ATOM 0 HE ARG A 30 -11.053 14.834 8.242 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -9.231 16.942 6.036 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -9.444 18.353 7.077 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -11.324 16.629 9.506 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -10.620 18.177 9.026 1.00 42.22 H new ATOM 491 N PRO A 31 -4.677 13.748 5.581 1.00 42.22 N ATOM 492 CA PRO A 31 -3.659 13.968 6.593 1.00 54.35 C ATOM 493 C PRO A 31 -4.108 15.086 7.538 1.00 4.11 C ATOM 494 O PRO A 31 -5.141 15.727 7.329 1.00 74.21 O ATOM 495 CB PRO A 31 -2.389 14.322 5.809 1.00 32.13 C ATOM 496 CG PRO A 31 -2.924 15.039 4.572 1.00 42.02 C ATOM 497 CD PRO A 31 -4.282 14.379 4.331 1.00 44.54 C ATOM 0 HA PRO A 31 -3.481 13.099 7.227 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -1.725 14.963 6.389 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -1.820 13.431 5.542 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -3.024 16.111 4.742 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -2.260 14.913 3.717 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.021 15.119 4.022 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.216 13.642 3.531 1.00 44.54 H new ATOM 505 N GLU A 32 -3.297 15.342 8.564 1.00 1.13 N ATOM 506 CA GLU A 32 -3.585 16.263 9.668 1.00 30.44 C ATOM 507 C GLU A 32 -3.834 17.710 9.259 1.00 4.33 C ATOM 508 O GLU A 32 -4.417 18.485 10.021 1.00 30.13 O ATOM 509 CB GLU A 32 -2.412 16.130 10.645 1.00 33.11 C ATOM 510 CG GLU A 32 -2.254 17.190 11.742 1.00 14.44 C ATOM 511 CD GLU A 32 -1.135 16.855 12.733 1.00 31.31 C ATOM 512 OE1 GLU A 32 -0.586 15.735 12.690 1.00 41.22 O ATOM 513 OE2 GLU A 32 -0.754 17.718 13.552 1.00 23.13 O1- ATOM 0 H GLU A 32 -2.384 14.896 8.654 1.00 1.13 H new ATOM 0 HA GLU A 32 -4.535 15.984 10.124 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -2.494 15.158 11.132 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -1.492 16.118 10.060 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -2.048 18.156 11.281 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -3.195 17.290 12.283 1.00 14.44 H new ATOM 520 N LYS A 33 -3.454 18.044 8.032 1.00 52.24 N ATOM 521 CA LYS A 33 -3.630 19.344 7.388 1.00 32.14 C ATOM 522 C LYS A 33 -3.248 20.461 8.370 1.00 2.41 C ATOM 523 O LYS A 33 -4.043 21.319 8.752 1.00 0.40 O ATOM 524 CB LYS A 33 -5.059 19.411 6.799 1.00 62.42 C ATOM 525 CG LYS A 33 -5.122 20.197 5.486 1.00 63.41 C ATOM 526 CD LYS A 33 -5.315 21.703 5.690 1.00 51.51 C ATOM 527 CE LYS A 33 -6.763 22.043 6.032 1.00 43.22 C ATOM 528 NZ LYS A 33 -7.455 22.606 4.862 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.986 17.375 7.421 1.00 52.24 H new ATOM 0 HA LYS A 33 -2.959 19.488 6.541 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -5.425 18.398 6.629 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -5.726 19.873 7.527 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -4.203 20.028 4.925 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -5.941 19.812 4.879 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -4.661 22.049 6.490 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -5.020 22.234 4.785 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -7.282 21.146 6.371 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -6.790 22.757 6.855 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -8.438 22.831 5.115 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -6.970 23.473 4.556 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -7.447 21.913 4.087 1.00 43.21 H new ATOM 542 N GLY A 34 -2.011 20.362 8.843 1.00 62.23 N ATOM 543 CA GLY A 34 -1.457 21.139 9.931 1.00 43.33 C ATOM 544 C GLY A 34 -0.010 20.727 10.115 1.00 1.12 C ATOM 545 O GLY A 34 0.423 20.480 11.232 1.00 35.04 O ATOM 0 H GLY A 34 -1.338 19.702 8.454 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.524 22.204 9.711 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -2.021 20.967 10.848 1.00 43.33 H new ATOM 549 N LEU A 35 0.705 20.532 9.009 1.00 20.30 N ATOM 550 CA LEU A 35 2.154 20.504 8.979 1.00 75.01 C ATOM 551 C LEU A 35 2.558 21.531 7.903 1.00 50.32 C ATOM 552 O LEU A 35 1.689 22.081 7.203 1.00 62.14 O ATOM 553 CB LEU A 35 2.673 19.099 8.593 1.00 30.55 C ATOM 554 CG LEU A 35 2.439 17.924 9.565 1.00 75.10 C ATOM 555 CD1 LEU A 35 0.976 17.453 9.628 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.273 16.729 9.085 1.00 10.10 C ATOM 0 H LEU A 35 0.279 20.387 8.094 1.00 20.30 H new ATOM 0 HA LEU A 35 2.577 20.739 9.956 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.221 18.832 7.638 1.00 30.55 H new ATOM 0 HB3 LEU A 35 3.747 19.179 8.426 1.00 30.55 H new ATOM 0 HG LEU A 35 2.720 18.280 10.556 1.00 75.10 H new ATOM 0 HD11 LEU A 35 0.890 16.625 10.332 1.00 74.41 H new ATOM 0 HD12 LEU A 35 0.343 18.276 9.958 1.00 74.41 H new ATOM 0 HD13 LEU A 35 0.657 17.123 8.639 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.122 15.886 9.759 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.962 16.449 8.079 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.328 17.002 9.076 1.00 10.10 H new ATOM 568 N SER A 36 3.861 21.663 7.650 1.00 13.30 N ATOM 569 CA SER A 36 4.417 22.582 6.664 1.00 21.20 C ATOM 570 C SER A 36 4.335 22.012 5.243 1.00 65.31 C ATOM 571 O SER A 36 4.011 20.839 5.039 1.00 60.15 O ATOM 572 CB SER A 36 5.842 23.012 7.064 1.00 50.44 C ATOM 573 OG SER A 36 6.875 22.335 6.367 1.00 62.23 O ATOM 0 H SER A 36 4.573 21.120 8.138 1.00 13.30 H new ATOM 0 HA SER A 36 3.806 23.484 6.653 1.00 21.20 H new ATOM 0 HB2 SER A 36 5.947 24.083 6.893 1.00 50.44 H new ATOM 0 HB3 SER A 36 5.972 22.846 8.133 1.00 50.44 H new ATOM 0 HG SER A 36 7.746 22.663 6.674 1.00 62.23 H new ATOM 579 N GLU A 37 4.704 22.811 4.241 1.00 43.12 N ATOM 580 CA GLU A 37 4.648 22.412 2.841 1.00 23.33 C ATOM 581 C GLU A 37 5.622 21.263 2.565 1.00 0.42 C ATOM 582 O GLU A 37 5.256 20.299 1.886 1.00 53.05 O ATOM 583 CB GLU A 37 4.948 23.613 1.917 1.00 4.24 C ATOM 584 CG GLU A 37 3.707 24.198 1.226 1.00 51.34 C ATOM 585 CD GLU A 37 2.849 25.052 2.155 1.00 10.03 C ATOM 586 OE1 GLU A 37 2.397 24.525 3.193 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 2.597 26.229 1.819 1.00 20.55 O ATOM 0 H GLU A 37 5.052 23.759 4.383 1.00 43.12 H new ATOM 0 HA GLU A 37 3.638 22.062 2.629 1.00 23.33 H new ATOM 0 HB2 GLU A 37 5.428 24.397 2.502 1.00 4.24 H new ATOM 0 HB3 GLU A 37 5.662 23.302 1.155 1.00 4.24 H new ATOM 0 HG2 GLU A 37 4.023 24.803 0.376 1.00 51.34 H new ATOM 0 HG3 GLU A 37 3.102 23.383 0.830 1.00 51.34 H new ATOM 594 N ARG A 38 6.876 21.366 3.027 1.00 21.15 N ATOM 595 CA ARG A 38 7.853 20.294 2.817 1.00 61.30 C ATOM 596 C ARG A 38 7.505 19.086 3.667 1.00 25.54 C ATOM 597 O ARG A 38 7.691 17.958 3.216 1.00 2.34 O ATOM 598 CB ARG A 38 9.275 20.773 3.132 1.00 12.35 C ATOM 599 CG ARG A 38 10.300 19.625 2.982 1.00 63.40 C ATOM 600 CD ARG A 38 11.752 20.087 2.829 1.00 71.42 C ATOM 601 NE ARG A 38 12.078 20.470 1.437 1.00 64.41 N ATOM 602 CZ ARG A 38 12.691 19.716 0.512 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.095 18.488 0.804 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 12.888 20.180 -0.719 1.00 51.23 N ATOM 0 H ARG A 38 7.233 22.171 3.542 1.00 21.15 H new ATOM 0 HA ARG A 38 7.817 20.007 1.766 1.00 61.30 H new ATOM 0 HB2 ARG A 38 9.542 21.591 2.463 1.00 12.35 H new ATOM 0 HB3 ARG A 38 9.312 21.166 4.148 1.00 12.35 H new ATOM 0 HG2 ARG A 38 10.229 18.975 3.854 1.00 63.40 H new ATOM 0 HG3 ARG A 38 10.030 19.024 2.114 1.00 63.40 H new ATOM 0 HD2 ARG A 38 11.932 20.936 3.488 1.00 71.42 H new ATOM 0 HD3 ARG A 38 12.420 19.288 3.149 1.00 71.42 H new ATOM 0 HE ARG A 38 11.807 21.410 1.149 1.00 64.41 H new ATOM 0 HH11 ARG A 38 12.941 18.109 1.738 1.00 14.30 H new ATOM 0 HH12 ARG A 38 13.560 17.922 0.094 1.00 14.30 H new ATOM 0 HH21 ARG A 38 12.572 21.117 -0.967 1.00 51.23 H new ATOM 0 HH22 ARG A 38 13.355 19.598 -1.415 1.00 51.23 H new ATOM 618 N GLU A 39 7.031 19.321 4.886 1.00 34.32 N ATOM 619 CA GLU A 39 6.723 18.265 5.834 1.00 22.23 C ATOM 620 C GLU A 39 5.657 17.365 5.236 1.00 4.10 C ATOM 621 O GLU A 39 5.845 16.159 5.183 1.00 34.05 O ATOM 622 CB GLU A 39 6.229 18.895 7.136 1.00 71.25 C ATOM 623 CG GLU A 39 7.327 19.691 7.845 1.00 31.04 C ATOM 624 CD GLU A 39 8.231 18.841 8.732 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.406 17.625 8.478 1.00 73.33 O ATOM 626 OE2 GLU A 39 8.825 19.441 9.652 1.00 14.54 O1- ATOM 0 H GLU A 39 6.849 20.259 5.243 1.00 34.32 H new ATOM 0 HA GLU A 39 7.610 17.669 6.047 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.386 19.552 6.923 1.00 71.25 H new ATOM 0 HB3 GLU A 39 5.863 18.112 7.801 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.938 20.194 7.096 1.00 31.04 H new ATOM 0 HG3 GLU A 39 6.864 20.468 8.453 1.00 31.04 H new ATOM 633 N GLN A 40 4.579 17.953 4.711 1.00 75.44 N ATOM 634 CA GLN A 40 3.512 17.218 4.038 1.00 33.21 C ATOM 635 C GLN A 40 4.078 16.365 2.900 1.00 45.12 C ATOM 636 O GLN A 40 3.731 15.184 2.776 1.00 73.12 O ATOM 637 CB GLN A 40 2.464 18.210 3.511 1.00 44.22 C ATOM 638 CG GLN A 40 1.623 18.881 4.606 1.00 34.02 C ATOM 639 CD GLN A 40 0.485 18.018 5.147 1.00 3.44 C ATOM 640 OE1 GLN A 40 -0.683 18.301 4.905 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.763 17.012 5.958 1.00 2.34 N ATOM 0 H GLN A 40 4.424 18.961 4.743 1.00 75.44 H new ATOM 0 HA GLN A 40 3.036 16.544 4.750 1.00 33.21 H new ATOM 0 HB2 GLN A 40 2.971 18.983 2.933 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.797 17.686 2.826 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.278 19.156 5.432 1.00 34.02 H new ATOM 0 HG3 GLN A 40 1.204 19.806 4.210 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.734 16.774 6.161 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.007 16.474 6.381 1.00 2.34 H new ATOM 650 N LEU A 41 4.958 16.966 2.096 1.00 41.12 N ATOM 651 CA LEU A 41 5.607 16.331 0.962 1.00 15.34 C ATOM 652 C LEU A 41 6.320 15.070 1.434 1.00 23.34 C ATOM 653 O LEU A 41 6.048 13.989 0.918 1.00 52.42 O ATOM 654 CB LEU A 41 6.570 17.328 0.272 1.00 21.03 C ATOM 655 CG LEU A 41 6.553 17.349 -1.267 1.00 0.11 C ATOM 656 CD1 LEU A 41 7.027 16.047 -1.921 1.00 22.31 C ATOM 657 CD2 LEU A 41 5.176 17.732 -1.811 1.00 65.33 C ATOM 0 H LEU A 41 5.243 17.937 2.226 1.00 41.12 H new ATOM 0 HA LEU A 41 4.865 16.039 0.219 1.00 15.34 H new ATOM 0 HB2 LEU A 41 6.336 18.331 0.629 1.00 21.03 H new ATOM 0 HB3 LEU A 41 7.585 17.103 0.599 1.00 21.03 H new ATOM 0 HG LEU A 41 7.279 18.116 -1.539 1.00 0.11 H new ATOM 0 HD11 LEU A 41 6.983 16.148 -3.005 1.00 22.31 H new ATOM 0 HD12 LEU A 41 8.053 15.839 -1.617 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.382 15.226 -1.607 1.00 22.31 H new ATOM 0 HD21 LEU A 41 5.204 17.736 -2.901 1.00 65.33 H new ATOM 0 HD22 LEU A 41 4.436 17.009 -1.469 1.00 65.33 H new ATOM 0 HD23 LEU A 41 4.906 18.725 -1.451 1.00 65.33 H new ATOM 669 N GLU A 42 7.236 15.199 2.400 1.00 33.24 N ATOM 670 CA GLU A 42 8.020 14.081 2.915 1.00 33.03 C ATOM 671 C GLU A 42 7.143 13.046 3.610 1.00 40.42 C ATOM 672 O GLU A 42 7.405 11.843 3.488 1.00 21.43 O ATOM 673 CB GLU A 42 9.163 14.585 3.807 1.00 30.51 C ATOM 674 CG GLU A 42 10.048 13.403 4.225 1.00 14.32 C ATOM 675 CD GLU A 42 11.450 13.843 4.618 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.717 14.114 5.808 1.00 44.20 O ATOM 677 OE2 GLU A 42 12.343 13.836 3.737 1.00 2.14 O1- ATOM 0 H GLU A 42 7.452 16.090 2.847 1.00 33.24 H new ATOM 0 HA GLU A 42 8.475 13.567 2.068 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.757 15.325 3.271 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.758 15.079 4.690 1.00 30.51 H new ATOM 0 HG2 GLU A 42 9.584 12.883 5.063 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.110 12.690 3.403 1.00 14.32 H new ATOM 684 N HIS A 43 6.087 13.492 4.287 1.00 44.33 N ATOM 685 CA HIS A 43 5.165 12.614 4.973 1.00 44.01 C ATOM 686 C HIS A 43 4.507 11.664 3.985 1.00 54.41 C ATOM 687 O HIS A 43 4.426 10.470 4.263 1.00 14.03 O ATOM 688 CB HIS A 43 4.114 13.422 5.737 1.00 30.04 C ATOM 689 CG HIS A 43 3.587 12.698 6.943 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.263 12.542 7.269 1.00 21.13 N ATOM 691 CD2 HIS A 43 4.341 12.158 7.952 1.00 25.41 C ATOM 692 CE1 HIS A 43 2.224 11.933 8.465 1.00 13.25 C ATOM 693 NE2 HIS A 43 3.460 11.630 8.902 1.00 71.41 N ATOM 0 H HIS A 43 5.853 14.481 4.371 1.00 44.33 H new ATOM 0 HA HIS A 43 5.724 12.022 5.698 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.549 14.371 6.050 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.285 13.656 5.068 1.00 30.04 H new ATOM 0 HD2 HIS A 43 5.420 12.143 8.004 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.316 11.714 9.007 1.00 13.25 H new ATOM 0 HE2 HIS A 43 3.704 11.120 9.751 1.00 71.41 H new ATOM 701 N THR A 44 4.080 12.154 2.818 1.00 62.13 N ATOM 702 CA THR A 44 3.455 11.271 1.830 1.00 71.14 C ATOM 703 C THR A 44 4.422 10.154 1.423 1.00 32.51 C ATOM 704 O THR A 44 4.018 8.993 1.332 1.00 73.14 O ATOM 705 CB THR A 44 3.021 12.079 0.598 1.00 22.00 C ATOM 706 OG1 THR A 44 2.299 13.224 0.987 1.00 22.10 O ATOM 707 CG2 THR A 44 2.136 11.264 -0.351 1.00 62.22 C ATOM 0 H THR A 44 4.152 13.132 2.538 1.00 62.13 H new ATOM 0 HA THR A 44 2.572 10.815 2.278 1.00 71.14 H new ATOM 0 HB THR A 44 3.937 12.357 0.077 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.032 13.728 0.190 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.856 11.880 -1.206 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.685 10.389 -0.698 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.237 10.943 0.175 1.00 62.22 H new ATOM 715 N ARG A 45 5.703 10.477 1.200 1.00 24.01 N ATOM 716 CA ARG A 45 6.706 9.474 0.845 1.00 72.21 C ATOM 717 C ARG A 45 6.845 8.441 1.961 1.00 64.44 C ATOM 718 O ARG A 45 6.788 7.233 1.687 1.00 71.53 O ATOM 719 CB ARG A 45 8.069 10.132 0.540 1.00 64.22 C ATOM 720 CG ARG A 45 8.128 10.900 -0.792 1.00 11.44 C ATOM 721 CD ARG A 45 8.405 12.388 -0.571 1.00 54.04 C ATOM 722 NE ARG A 45 9.820 12.681 -0.252 1.00 4.24 N ATOM 723 CZ ARG A 45 10.310 13.885 0.077 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.491 14.921 0.173 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 11.605 14.077 0.296 1.00 0.40 N ATOM 0 H ARG A 45 6.066 11.428 1.260 1.00 24.01 H new ATOM 0 HA ARG A 45 6.371 8.966 -0.059 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.316 10.818 1.351 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.837 9.359 0.532 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.907 10.474 -1.424 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.184 10.780 -1.324 1.00 11.44 H new ATOM 0 HD2 ARG A 45 8.120 12.940 -1.467 1.00 54.04 H new ATOM 0 HD3 ARG A 45 7.775 12.751 0.241 1.00 54.04 H new ATOM 0 HE ARG A 45 10.478 11.902 -0.285 1.00 4.24 H new ATOM 0 HH11 ARG A 45 8.494 14.801 -0.003 1.00 25.00 H new ATOM 0 HH12 ARG A 45 9.858 15.839 0.423 1.00 25.00 H new ATOM 0 HH21 ARG A 45 12.257 13.297 0.215 1.00 0.40 H new ATOM 0 HH22 ARG A 45 11.948 15.005 0.545 1.00 0.40 H new ATOM 739 N GLN A 46 7.025 8.928 3.195 1.00 54.25 N ATOM 740 CA GLN A 46 7.174 8.128 4.400 1.00 14.35 C ATOM 741 C GLN A 46 6.018 7.139 4.535 1.00 34.32 C ATOM 742 O GLN A 46 6.258 5.959 4.788 1.00 63.33 O ATOM 743 CB GLN A 46 7.223 9.039 5.642 1.00 1.03 C ATOM 744 CG GLN A 46 8.575 9.726 5.901 1.00 71.03 C ATOM 745 CD GLN A 46 9.189 9.274 7.223 1.00 64.21 C ATOM 746 OE1 GLN A 46 9.355 8.075 7.441 1.00 2.51 O ATOM 747 NE2 GLN A 46 9.470 10.165 8.156 1.00 72.22 N ATOM 0 H GLN A 46 7.072 9.930 3.380 1.00 54.25 H new ATOM 0 HA GLN A 46 8.108 7.571 4.326 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.457 9.808 5.539 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.962 8.445 6.518 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.261 9.501 5.084 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.438 10.807 5.913 1.00 71.03 H new ATOM 0 HE21 GLN A 46 9.331 11.158 7.971 1.00 72.22 H new ATOM 0 HE22 GLN A 46 9.826 9.860 9.062 1.00 72.22 H new ATOM 756 N CYS A 47 4.787 7.630 4.400 1.00 43.24 N ATOM 757 CA CYS A 47 3.556 6.878 4.509 1.00 44.42 C ATOM 758 C CYS A 47 3.458 5.828 3.397 1.00 2.22 C ATOM 759 O CYS A 47 3.191 4.666 3.699 1.00 63.24 O ATOM 760 CB CYS A 47 2.408 7.894 4.480 1.00 3.33 C ATOM 761 SG CYS A 47 2.416 8.874 6.017 1.00 22.35 S ATOM 0 H CYS A 47 4.622 8.617 4.201 1.00 43.24 H new ATOM 0 HA CYS A 47 3.513 6.313 5.440 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.513 8.552 3.617 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.455 7.377 4.372 1.00 3.33 H new ATOM 0 HG CYS A 47 1.396 8.539 6.750 1.00 22.35 H new ATOM 767 N LEU A 48 3.700 6.196 2.132 1.00 4.13 N ATOM 768 CA LEU A 48 3.611 5.257 1.012 1.00 3.12 C ATOM 769 C LEU A 48 4.546 4.075 1.216 1.00 50.02 C ATOM 770 O LEU A 48 4.089 2.934 1.073 1.00 33.14 O ATOM 771 CB LEU A 48 3.959 5.956 -0.315 1.00 72.14 C ATOM 772 CG LEU A 48 2.717 6.495 -1.043 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.142 7.549 -2.065 1.00 73.51 C ATOM 774 CD2 LEU A 48 1.955 5.372 -1.762 1.00 44.04 C ATOM 0 H LEU A 48 3.960 7.144 1.860 1.00 4.13 H new ATOM 0 HA LEU A 48 2.584 4.895 0.970 1.00 3.12 H new ATOM 0 HB2 LEU A 48 4.646 6.779 -0.118 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.481 5.254 -0.965 1.00 72.14 H new ATOM 0 HG LEU A 48 2.054 6.936 -0.298 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.261 7.931 -2.581 1.00 73.51 H new ATOM 0 HD12 LEU A 48 3.647 8.369 -1.554 1.00 73.51 H new ATOM 0 HD13 LEU A 48 3.821 7.100 -2.790 1.00 73.51 H new ATOM 0 HD21 LEU A 48 1.083 5.789 -2.266 1.00 44.04 H new ATOM 0 HD22 LEU A 48 2.608 4.902 -2.497 1.00 44.04 H new ATOM 0 HD23 LEU A 48 1.632 4.628 -1.034 1.00 44.04 H new ATOM 786 N ILE A 49 5.835 4.309 1.514 1.00 4.15 N ATOM 787 CA ILE A 49 6.737 3.184 1.714 1.00 22.35 C ATOM 788 C ILE A 49 6.283 2.293 2.872 1.00 73.31 C ATOM 789 O ILE A 49 6.350 1.075 2.725 1.00 54.42 O ATOM 790 CB ILE A 49 8.223 3.586 1.792 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.557 4.475 3.008 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.646 4.232 0.453 1.00 45.11 C ATOM 793 CD1 ILE A 49 10.057 4.725 3.188 1.00 33.54 C ATOM 0 H ILE A 49 6.255 5.233 1.617 1.00 4.15 H new ATOM 0 HA ILE A 49 6.673 2.576 0.811 1.00 22.35 H new ATOM 0 HB ILE A 49 8.808 2.680 1.951 1.00 2.24 H new ATOM 0 HG12 ILE A 49 8.048 5.432 2.899 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.164 4.006 3.910 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.697 4.518 0.503 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.503 3.517 -0.357 1.00 45.11 H new ATOM 0 HG23 ILE A 49 8.037 5.117 0.268 1.00 45.11 H new ATOM 0 HD11 ILE A 49 10.218 5.357 4.061 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.570 3.774 3.329 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.452 5.222 2.302 1.00 33.54 H new ATOM 805 N LYS A 50 5.736 2.870 3.949 1.00 54.03 N ATOM 806 CA LYS A 50 5.181 2.125 5.064 1.00 10.45 C ATOM 807 C LYS A 50 4.150 1.138 4.545 1.00 65.14 C ATOM 808 O LYS A 50 4.262 -0.052 4.822 1.00 21.01 O ATOM 809 CB LYS A 50 4.563 3.099 6.088 1.00 64.21 C ATOM 810 CG LYS A 50 5.138 2.953 7.498 1.00 11.34 C ATOM 811 CD LYS A 50 6.561 3.512 7.574 1.00 30.02 C ATOM 812 CE LYS A 50 7.046 3.507 9.025 1.00 53.21 C ATOM 813 NZ LYS A 50 8.402 4.074 9.144 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.670 3.881 4.063 1.00 54.03 H new ATOM 0 HA LYS A 50 5.969 1.566 5.568 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.720 4.122 5.745 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.486 2.938 6.126 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.500 3.476 8.210 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.141 1.902 7.786 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.230 2.913 6.956 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.584 4.527 7.177 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.355 4.081 9.643 1.00 53.21 H new ATOM 0 HE3 LYS A 50 7.043 2.486 9.407 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 8.700 4.055 10.140 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 9.065 3.511 8.574 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.399 5.056 8.802 1.00 51.25 H new ATOM 827 N ILE A 51 3.149 1.625 3.814 1.00 24.51 N ATOM 828 CA ILE A 51 2.022 0.811 3.403 1.00 1.44 C ATOM 829 C ILE A 51 2.529 -0.318 2.503 1.00 1.23 C ATOM 830 O ILE A 51 2.223 -1.484 2.752 1.00 42.41 O ATOM 831 CB ILE A 51 0.935 1.682 2.732 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.422 2.833 3.636 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.261 0.794 2.405 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.250 3.966 2.848 1.00 62.13 C ATOM 0 H ILE A 51 3.102 2.592 3.494 1.00 24.51 H new ATOM 0 HA ILE A 51 1.545 0.356 4.271 1.00 1.44 H new ATOM 0 HB ILE A 51 1.389 2.127 1.847 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.288 2.430 4.358 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.258 3.240 4.204 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.039 1.392 1.930 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.050 -0.001 1.727 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.650 0.355 3.324 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.587 4.739 3.538 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.464 4.393 2.144 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.106 3.571 2.301 1.00 62.13 H new ATOM 846 N GLY A 52 3.288 0.009 1.454 1.00 60.25 N ATOM 847 CA GLY A 52 3.671 -0.981 0.461 1.00 12.12 C ATOM 848 C GLY A 52 4.559 -2.075 1.056 1.00 41.42 C ATOM 849 O GLY A 52 4.486 -3.244 0.641 1.00 1.12 O ATOM 0 H GLY A 52 3.645 0.948 1.276 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.775 -1.433 0.035 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.199 -0.490 -0.356 1.00 12.12 H new ATOM 853 N ASP A 53 5.395 -1.703 2.020 1.00 15.43 N ATOM 854 CA ASP A 53 6.316 -2.621 2.664 1.00 23.03 C ATOM 855 C ASP A 53 5.565 -3.548 3.620 1.00 4.51 C ATOM 856 O ASP A 53 5.745 -4.758 3.524 1.00 64.45 O ATOM 857 CB ASP A 53 7.418 -1.817 3.351 1.00 51.04 C ATOM 858 CG ASP A 53 8.721 -2.588 3.518 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.119 -3.291 2.551 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.491 -2.214 4.419 1.00 2.34 O ATOM 0 H ASP A 53 5.450 -0.749 2.376 1.00 15.43 H new ATOM 0 HA ASP A 53 6.789 -3.268 1.925 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.612 -0.914 2.773 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.066 -1.498 4.332 1.00 51.04 H new ATOM 865 N HIS A 54 4.630 -3.029 4.433 1.00 4.14 N ATOM 866 CA HIS A 54 3.819 -3.871 5.318 1.00 61.14 C ATOM 867 C HIS A 54 2.933 -4.818 4.512 1.00 71.00 C ATOM 868 O HIS A 54 2.684 -5.941 4.954 1.00 13.33 O ATOM 869 CB HIS A 54 2.921 -3.028 6.231 1.00 31.12 C ATOM 870 CG HIS A 54 3.646 -2.380 7.378 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.471 -1.294 7.269 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.542 -2.692 8.708 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.834 -0.935 8.503 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.275 -1.736 9.422 1.00 52.53 N ATOM 0 H HIS A 54 4.420 -2.033 4.493 1.00 4.14 H new ATOM 0 HA HIS A 54 4.517 -4.445 5.928 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.441 -2.252 5.634 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.128 -3.662 6.628 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.757 -0.840 6.401 1.00 41.41 H new ATOM 0 HD2 HIS A 54 2.995 -3.523 9.129 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.491 -0.109 8.731 1.00 33.05 H new ATOM 882 N ILE A 55 2.429 -4.385 3.350 1.00 14.30 N ATOM 883 CA ILE A 55 1.746 -5.278 2.425 1.00 11.25 C ATOM 884 C ILE A 55 2.720 -6.403 2.073 1.00 40.53 C ATOM 885 O ILE A 55 2.356 -7.570 2.217 1.00 21.05 O ATOM 886 CB ILE A 55 1.198 -4.508 1.206 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.002 -3.639 1.636 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.751 -5.427 0.061 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.586 -2.757 0.530 1.00 63.25 C ATOM 0 H ILE A 55 2.485 -3.417 3.033 1.00 14.30 H new ATOM 0 HA ILE A 55 0.860 -5.722 2.879 1.00 11.25 H new ATOM 0 HB ILE A 55 2.018 -3.894 0.835 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.789 -4.292 2.013 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.308 -3.001 2.464 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.376 -4.823 -0.765 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.598 -6.022 -0.280 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.039 -6.090 0.414 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.424 -2.184 0.926 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.181 -2.074 0.166 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.932 -3.385 -0.291 1.00 63.25 H new ATOM 901 N THR A 56 3.935 -6.070 1.621 1.00 5.22 N ATOM 902 CA THR A 56 4.902 -7.099 1.258 1.00 13.14 C ATOM 903 C THR A 56 5.142 -8.092 2.414 1.00 44.41 C ATOM 904 O THR A 56 5.146 -9.299 2.171 1.00 3.10 O ATOM 905 CB THR A 56 6.212 -6.484 0.732 1.00 23.42 C ATOM 906 OG1 THR A 56 5.952 -5.541 -0.302 1.00 70.12 O ATOM 907 CG2 THR A 56 7.106 -7.580 0.140 1.00 44.22 C ATOM 0 H THR A 56 4.263 -5.112 1.501 1.00 5.22 H new ATOM 0 HA THR A 56 4.474 -7.675 0.438 1.00 13.14 H new ATOM 0 HB THR A 56 6.703 -5.992 1.572 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.523 -4.747 0.080 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.030 -7.136 -0.229 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.339 -8.315 0.911 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.585 -8.070 -0.683 1.00 44.22 H new ATOM 915 N GLU A 57 5.310 -7.616 3.650 1.00 33.02 N ATOM 916 CA GLU A 57 5.654 -8.451 4.801 1.00 24.11 C ATOM 917 C GLU A 57 4.520 -9.413 5.173 1.00 32.24 C ATOM 918 O GLU A 57 4.777 -10.538 5.598 1.00 3.40 O ATOM 919 CB GLU A 57 6.009 -7.561 5.998 1.00 61.11 C ATOM 920 CG GLU A 57 7.367 -6.863 5.806 1.00 73.54 C ATOM 921 CD GLU A 57 7.730 -5.915 6.954 1.00 61.31 C ATOM 922 OE1 GLU A 57 6.875 -5.644 7.830 1.00 1.40 O ATOM 923 OE2 GLU A 57 8.894 -5.450 6.989 1.00 10.24 O1- ATOM 0 H GLU A 57 5.210 -6.628 3.881 1.00 33.02 H new ATOM 0 HA GLU A 57 6.516 -9.058 4.526 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.231 -6.811 6.137 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.035 -8.165 6.905 1.00 61.11 H new ATOM 0 HG2 GLU A 57 8.146 -7.619 5.709 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.350 -6.301 4.872 1.00 73.54 H new ATOM 930 N CYS A 58 3.262 -9.006 4.993 1.00 11.34 N ATOM 931 CA CYS A 58 2.117 -9.893 5.170 1.00 0.31 C ATOM 932 C CYS A 58 2.096 -10.969 4.089 1.00 73.23 C ATOM 933 O CYS A 58 1.917 -12.152 4.372 1.00 13.34 O ATOM 934 CB CYS A 58 0.826 -9.079 5.103 1.00 31.54 C ATOM 935 SG CYS A 58 0.520 -8.364 6.734 1.00 43.24 S ATOM 0 H CYS A 58 3.012 -8.055 4.721 1.00 11.34 H new ATOM 0 HA CYS A 58 2.200 -10.378 6.143 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.912 -8.292 4.354 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.008 -9.714 4.804 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.292 -7.355 6.620 1.00 43.24 H new ATOM 941 N LEU A 59 2.251 -10.569 2.829 1.00 64.12 N ATOM 942 CA LEU A 59 2.220 -11.490 1.695 1.00 53.20 C ATOM 943 C LEU A 59 3.423 -12.433 1.715 1.00 72.32 C ATOM 944 O LEU A 59 3.381 -13.478 1.068 1.00 72.00 O ATOM 945 CB LEU A 59 2.239 -10.707 0.382 1.00 14.43 C ATOM 946 CG LEU A 59 1.117 -9.678 0.232 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.505 -8.688 -0.864 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.188 -10.386 -0.099 1.00 3.53 C ATOM 0 H LEU A 59 2.402 -9.595 2.565 1.00 64.12 H new ATOM 0 HA LEU A 59 1.304 -12.076 1.773 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.197 -10.194 0.295 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.179 -11.413 -0.446 1.00 14.43 H new ATOM 0 HG LEU A 59 0.973 -9.132 1.165 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.714 -7.948 -0.982 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.433 -8.187 -0.589 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.646 -9.222 -1.804 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.985 -9.650 -0.205 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.076 -10.937 -1.033 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.439 -11.080 0.703 1.00 3.53 H new ATOM 960 N LYS A 60 4.502 -12.088 2.423 1.00 42.43 N ATOM 961 CA LYS A 60 5.629 -12.970 2.676 1.00 35.12 C ATOM 962 C LYS A 60 5.250 -14.184 3.505 1.00 40.54 C ATOM 963 O LYS A 60 6.034 -15.136 3.526 1.00 41.41 O ATOM 964 CB LYS A 60 6.733 -12.195 3.418 1.00 54.12 C ATOM 965 CG LYS A 60 8.037 -12.130 2.627 1.00 34.15 C ATOM 966 CD LYS A 60 8.196 -10.808 1.869 1.00 11.14 C ATOM 967 CE LYS A 60 9.579 -10.675 1.216 1.00 52.11 C ATOM 968 NZ LYS A 60 10.675 -10.835 2.195 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.612 -11.165 2.843 1.00 42.43 H new ATOM 0 HA LYS A 60 5.979 -13.323 1.706 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.386 -11.182 3.623 1.00 54.12 H new ATOM 0 HB3 LYS A 60 6.920 -12.669 4.381 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.878 -12.259 3.308 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.071 -12.958 1.919 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.426 -10.737 1.101 1.00 11.14 H new ATOM 0 HD3 LYS A 60 8.039 -9.976 2.556 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.682 -11.425 0.431 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.661 -9.699 0.737 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.554 -10.446 1.798 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.435 -10.327 3.070 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.807 -11.845 2.406 1.00 72.35 H new ATOM 982 N GLU A 61 4.104 -14.168 4.182 1.00 54.21 N ATOM 983 CA GLU A 61 3.654 -15.310 4.941 1.00 54.40 C ATOM 984 C GLU A 61 3.311 -16.446 3.990 1.00 62.01 C ATOM 985 O GLU A 61 3.665 -17.602 4.236 1.00 3.42 O ATOM 986 CB GLU A 61 2.409 -14.934 5.748 1.00 64.41 C ATOM 987 CG GLU A 61 2.243 -15.935 6.890 1.00 21.14 C ATOM 988 CD GLU A 61 0.873 -15.918 7.569 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.019 -15.057 7.236 1.00 3.14 O ATOM 990 OE2 GLU A 61 0.641 -16.782 8.438 1.00 63.12 O1- ATOM 0 H GLU A 61 3.474 -13.367 4.214 1.00 54.21 H new ATOM 0 HA GLU A 61 4.446 -15.626 5.620 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.506 -13.923 6.143 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.527 -14.942 5.107 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.428 -16.938 6.504 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.007 -15.736 7.642 1.00 21.14 H new ATOM 997 N TYR A 62 2.580 -16.131 2.918 1.00 60.23 N ATOM 998 CA TYR A 62 1.857 -17.200 2.254 1.00 13.04 C ATOM 999 C TYR A 62 2.806 -18.037 1.398 1.00 13.02 C ATOM 1000 O TYR A 62 3.784 -17.533 0.837 1.00 51.53 O ATOM 1001 CB TYR A 62 0.686 -16.668 1.442 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.252 -15.725 2.164 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.976 -16.198 3.270 1.00 21.24 C ATOM 1004 CD2 TYR A 62 -0.453 -14.410 1.701 1.00 33.43 C ATOM 1005 CE1 TYR A 62 -1.967 -15.407 3.864 1.00 62.34 C ATOM 1006 CE2 TYR A 62 -1.417 -13.596 2.323 1.00 41.42 C ATOM 1007 CZ TYR A 62 -2.200 -14.101 3.387 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.167 -13.331 3.959 1.00 10.34 O ATOM 0 H TYR A 62 2.479 -15.200 2.515 1.00 60.23 H new ATOM 0 HA TYR A 62 1.436 -17.849 3.022 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.082 -16.154 0.566 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.107 -17.517 1.079 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.767 -17.181 3.666 1.00 21.24 H new ATOM 0 HD2 TYR A 62 0.129 -14.029 0.874 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -2.551 -15.796 4.685 1.00 62.34 H new ATOM 0 HE2 TYR A 62 -1.560 -12.580 1.986 1.00 41.42 H new ATOM 0 HH TYR A 62 -3.969 -13.341 3.396 1.00 10.34 H new ATOM 1018 N THR A 63 2.478 -19.319 1.262 1.00 43.11 N ATOM 1019 CA THR A 63 3.341 -20.308 0.631 1.00 35.33 C ATOM 1020 C THR A 63 2.799 -20.738 -0.739 1.00 12.01 C ATOM 1021 O THR A 63 3.595 -21.055 -1.623 1.00 41.13 O ATOM 1022 CB THR A 63 3.698 -21.421 1.635 1.00 2.33 C ATOM 1023 OG1 THR A 63 4.319 -22.538 1.036 1.00 32.45 O ATOM 1024 CG2 THR A 63 2.497 -21.888 2.434 1.00 31.03 C ATOM 0 H THR A 63 1.593 -19.703 1.592 1.00 43.11 H new ATOM 0 HA THR A 63 4.305 -19.871 0.371 1.00 35.33 H new ATOM 0 HB THR A 63 4.416 -20.957 2.311 1.00 2.33 H new ATOM 0 HG1 THR A 63 4.522 -23.207 1.723 1.00 32.45 H new ATOM 0 HG21 THR A 63 2.803 -22.672 3.126 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.085 -21.049 2.995 1.00 31.03 H new ATOM 0 HG23 THR A 63 1.738 -22.279 1.756 1.00 31.03 H new ATOM 1032 N ASN A 64 1.477 -20.714 -0.960 1.00 22.12 N ATOM 1033 CA ASN A 64 0.919 -21.086 -2.262 1.00 20.34 C ATOM 1034 C ASN A 64 1.044 -19.937 -3.259 1.00 62.22 C ATOM 1035 O ASN A 64 0.911 -18.774 -2.866 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.557 -21.502 -2.143 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.703 -23.006 -2.016 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.148 -23.694 -1.460 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.780 -23.565 -2.517 1.00 53.22 N ATOM 0 H ASN A 64 0.784 -20.444 -0.262 1.00 22.12 H new ATOM 0 HA ASN A 64 1.494 -21.938 -2.624 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -1.004 -21.018 -1.275 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -1.105 -21.155 -3.019 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.912 -24.574 -2.445 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.485 -22.990 -2.978 1.00 53.22 H new ATOM 1046 N PRO A 65 1.187 -20.247 -4.562 1.00 2.25 N ATOM 1047 CA PRO A 65 1.307 -19.238 -5.602 1.00 15.53 C ATOM 1048 C PRO A 65 0.022 -18.420 -5.697 1.00 14.03 C ATOM 1049 O PRO A 65 0.071 -17.192 -5.724 1.00 64.50 O ATOM 1050 CB PRO A 65 1.615 -20.006 -6.893 1.00 31.12 C ATOM 1051 CG PRO A 65 1.053 -21.403 -6.643 1.00 31.01 C ATOM 1052 CD PRO A 65 1.264 -21.584 -5.142 1.00 54.11 C ATOM 0 HA PRO A 65 2.098 -18.517 -5.395 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.145 -19.537 -7.757 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.686 -20.038 -7.091 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.000 -21.471 -6.915 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.581 -22.162 -7.221 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.503 -22.238 -4.717 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.231 -22.044 -4.936 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.137 -19.081 -5.733 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.417 -18.397 -5.835 1.00 32.01 C ATOM 1062 C GLU A 66 -2.654 -17.498 -4.625 1.00 34.31 C ATOM 1063 O GLU A 66 -3.170 -16.401 -4.806 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.558 -19.399 -6.052 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.609 -19.773 -7.537 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.715 -20.775 -7.871 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -4.519 -21.986 -7.620 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -5.726 -20.346 -8.479 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.209 -20.098 -5.692 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.394 -17.749 -6.711 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.400 -20.289 -5.444 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.507 -18.964 -5.739 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.757 -18.869 -8.127 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.647 -20.192 -7.832 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.211 -17.887 -3.425 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.299 -17.050 -2.241 1.00 44.41 C ATOM 1077 C GLN A 67 -1.501 -15.764 -2.454 1.00 71.14 C ATOM 1078 O GLN A 67 -2.087 -14.681 -2.384 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.754 -17.805 -1.021 1.00 53.35 C ATOM 1080 CG GLN A 67 -2.782 -18.151 0.054 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.154 -19.009 1.157 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -1.364 -19.916 0.912 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.454 -18.722 2.404 1.00 3.24 N ATOM 0 H GLN A 67 -1.781 -18.796 -3.255 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.344 -16.797 -2.063 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.290 -18.729 -1.366 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -0.967 -17.204 -0.566 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.185 -17.235 0.486 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.618 -18.686 -0.396 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -3.110 -17.969 2.610 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.031 -19.252 3.165 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.178 -15.866 -2.670 1.00 1.22 N ATOM 1093 CA ILE A 68 0.665 -14.678 -2.768 1.00 12.50 C ATOM 1094 C ILE A 68 0.160 -13.777 -3.906 1.00 71.12 C ATOM 1095 O ILE A 68 0.060 -12.565 -3.718 1.00 55.41 O ATOM 1096 CB ILE A 68 2.183 -15.000 -2.802 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.739 -15.943 -3.883 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.598 -15.621 -1.465 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.847 -15.316 -5.264 1.00 33.44 C ATOM 0 H ILE A 68 0.319 -16.750 -2.778 1.00 1.22 H new ATOM 0 HA ILE A 68 0.570 -14.102 -1.847 1.00 12.50 H new ATOM 0 HB ILE A 68 2.601 -14.020 -3.034 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.726 -16.288 -3.575 1.00 13.11 H new ATOM 0 HG13 ILE A 68 2.099 -16.823 -3.945 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.664 -15.849 -1.485 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.392 -14.918 -0.658 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.034 -16.539 -1.299 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.247 -16.048 -5.966 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.859 -14.997 -5.597 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.512 -14.453 -5.221 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.258 -14.344 -5.047 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.788 -13.570 -6.169 1.00 12.30 C ATOM 1113 C LYS A 69 -2.087 -12.877 -5.787 1.00 53.31 C ATOM 1114 O LYS A 69 -2.175 -11.667 -6.003 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.979 -14.458 -7.411 1.00 34.45 C ATOM 1116 CG LYS A 69 0.357 -14.650 -8.148 1.00 41.45 C ATOM 1117 CD LYS A 69 0.509 -16.026 -8.804 1.00 30.22 C ATOM 1118 CE LYS A 69 0.043 -15.976 -10.255 1.00 41.34 C ATOM 1119 NZ LYS A 69 0.108 -17.303 -10.879 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.237 -15.350 -5.214 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.059 -12.799 -6.419 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.379 -15.427 -7.114 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.709 -14.004 -8.081 1.00 34.45 H new ATOM 0 HG2 LYS A 69 0.453 -13.880 -8.914 1.00 41.45 H new ATOM 0 HG3 LYS A 69 1.175 -14.502 -7.443 1.00 41.45 H new ATOM 0 HD2 LYS A 69 1.551 -16.344 -8.760 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.073 -16.765 -8.253 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -0.979 -15.600 -10.299 1.00 41.34 H new ATOM 0 HE3 LYS A 69 0.664 -15.277 -10.815 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -0.215 -17.239 -11.866 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 1.088 -17.649 -10.857 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -0.504 -17.962 -10.357 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.071 -13.614 -5.269 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.401 -13.110 -4.957 1.00 72.22 C ATOM 1135 C GLN A 70 -4.286 -11.982 -3.941 1.00 73.44 C ATOM 1136 O GLN A 70 -4.717 -10.858 -4.194 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.274 -14.267 -4.447 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.733 -13.874 -4.205 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.212 -14.317 -2.827 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -8.084 -15.170 -2.682 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -6.619 -13.786 -1.768 1.00 61.54 N ATOM 0 H GLN A 70 -2.957 -14.604 -5.051 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.879 -12.703 -5.848 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.241 -15.082 -5.170 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -4.850 -14.648 -3.518 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -6.840 -12.793 -4.298 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.364 -14.324 -4.972 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -5.895 -13.078 -1.890 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -6.886 -14.085 -0.830 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.698 -12.280 -2.783 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.586 -11.320 -1.706 1.00 1.41 C ATOM 1152 C TRP A 71 -2.774 -10.099 -2.121 1.00 43.13 C ATOM 1153 O TRP A 71 -3.115 -8.994 -1.701 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.016 -12.012 -0.473 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.975 -12.940 0.195 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.871 -14.277 0.348 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.198 -12.559 0.869 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.955 -14.743 1.072 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.809 -13.714 1.427 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.830 -11.320 1.062 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -7.012 -13.629 2.147 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -7.018 -11.215 1.795 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.613 -12.368 2.334 1.00 10.30 C ATOM 0 H TRP A 71 -3.290 -13.191 -2.574 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.578 -10.942 -1.458 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.125 -12.570 -0.761 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.699 -11.254 0.244 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.067 -14.888 -0.035 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.105 -15.723 1.314 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.391 -10.430 0.636 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.471 -14.519 2.552 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.477 -10.249 1.946 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.533 -12.288 2.893 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.752 -10.255 -2.977 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.951 -9.117 -3.415 1.00 44.24 C ATOM 1176 C ARG A 72 -1.846 -8.067 -4.074 1.00 25.40 C ATOM 1177 O ARG A 72 -1.695 -6.878 -3.800 1.00 72.43 O ATOM 1178 CB ARG A 72 0.190 -9.560 -4.338 1.00 20.22 C ATOM 1179 CG ARG A 72 1.029 -8.367 -4.820 1.00 24.51 C ATOM 1180 CD ARG A 72 2.338 -8.827 -5.459 1.00 4.10 C ATOM 1181 NE ARG A 72 2.123 -9.558 -6.719 1.00 14.41 N ATOM 1182 CZ ARG A 72 3.105 -9.920 -7.549 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.376 -9.719 -7.227 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 2.817 -10.474 -8.723 1.00 74.24 N ATOM 0 H ARG A 72 -1.468 -11.151 -3.372 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.486 -8.661 -2.541 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.831 -10.266 -3.810 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.222 -10.086 -5.199 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.455 -7.785 -5.541 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.245 -7.709 -3.979 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.970 -7.960 -5.649 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.876 -9.466 -4.759 1.00 4.10 H new ATOM 0 HE ARG A 72 1.166 -9.803 -6.973 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.614 -9.283 -6.336 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.116 -10.000 -7.870 1.00 54.04 H new ATOM 0 HH21 ARG A 72 1.844 -10.623 -8.992 1.00 74.24 H new ATOM 0 HH22 ARG A 72 3.569 -10.750 -9.355 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.765 -8.492 -4.949 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.736 -7.596 -5.564 1.00 2.53 C ATOM 1200 C LYS A 73 -4.678 -7.078 -4.492 1.00 1.23 C ATOM 1201 O LYS A 73 -4.855 -5.871 -4.382 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.530 -8.265 -6.702 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.646 -9.004 -7.717 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.350 -9.265 -9.058 1.00 42.23 C ATOM 1205 CE LYS A 73 -4.478 -8.024 -9.955 1.00 22.32 C ATOM 1206 NZ LYS A 73 -3.165 -7.407 -10.250 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.852 -9.464 -5.246 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.188 -6.770 -6.018 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.242 -8.970 -6.272 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.111 -7.505 -7.224 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -2.743 -8.420 -7.896 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -3.330 -9.955 -7.289 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -3.801 -10.036 -9.599 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -5.346 -9.661 -8.861 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -4.964 -8.303 -10.890 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -5.120 -7.291 -9.468 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -3.257 -6.770 -11.067 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -2.842 -6.866 -9.423 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -2.473 -8.152 -10.468 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.278 -7.974 -3.709 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.371 -7.617 -2.814 1.00 31.13 C ATOM 1222 C ASN A 74 -5.972 -6.532 -1.818 1.00 50.53 C ATOM 1223 O ASN A 74 -6.761 -5.619 -1.582 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.920 -8.856 -2.090 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.712 -9.787 -2.991 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.195 -9.392 -4.047 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.873 -11.042 -2.612 1.00 4.44 N ATOM 0 H ASN A 74 -5.020 -8.960 -3.679 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.166 -7.203 -3.434 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.089 -9.408 -1.652 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.557 -8.533 -1.267 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.401 -11.688 -3.199 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.469 -11.365 -1.733 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.762 -6.586 -1.246 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.315 -5.536 -0.328 1.00 4.53 C ATOM 1236 C LEU A 75 -4.138 -4.204 -1.073 1.00 24.52 C ATOM 1237 O LEU A 75 -4.640 -3.176 -0.615 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.058 -5.963 0.451 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.277 -7.169 1.397 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -1.948 -7.615 2.013 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -4.262 -6.904 2.554 1.00 54.21 C ATOM 0 H LEU A 75 -4.086 -7.334 -1.401 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.091 -5.378 0.422 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.270 -6.212 -0.260 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.702 -5.116 1.037 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.711 -7.942 0.763 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -2.120 -8.463 2.675 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -1.259 -7.907 1.220 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -1.517 -6.792 2.583 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -4.355 -7.802 3.165 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -3.890 -6.084 3.168 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -5.238 -6.639 2.147 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.488 -4.212 -2.241 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.361 -3.025 -3.077 1.00 2.42 C ATOM 1255 C TRP A 76 -4.727 -2.397 -3.389 1.00 30.11 C ATOM 1256 O TRP A 76 -4.886 -1.185 -3.257 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.566 -3.366 -4.354 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.083 -3.165 -4.240 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.122 -4.084 -4.482 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.375 -1.956 -3.833 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.123 -3.531 -4.253 1.00 61.30 N ATOM 1262 CE2 TRP A 76 1.028 -2.215 -3.844 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.792 -0.668 -3.441 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.963 -1.236 -3.465 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.139 0.313 -3.046 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.506 0.020 -3.047 1.00 33.11 C ATOM 0 H TRP A 76 -3.038 -5.041 -2.628 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.804 -2.268 -2.525 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.759 -4.405 -4.619 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.940 -2.753 -5.174 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.301 -5.099 -4.806 1.00 3.24 H new ATOM 0 HE1 TRP A 76 2.003 -4.032 -4.371 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.845 -0.428 -3.443 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.021 -1.450 -3.496 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.203 1.291 -2.742 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.215 0.768 -2.723 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.712 -3.203 -3.784 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.051 -2.758 -4.180 1.00 32.02 C ATOM 1279 C ILE A 77 -7.820 -2.260 -2.953 1.00 35.11 C ATOM 1280 O ILE A 77 -8.605 -1.316 -3.054 1.00 41.01 O ATOM 1281 CB ILE A 77 -7.766 -3.917 -4.920 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -6.983 -4.200 -6.224 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.231 -3.599 -5.264 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.375 -5.480 -6.970 1.00 32.44 C ATOM 0 H ILE A 77 -5.598 -4.215 -3.840 1.00 1.43 H new ATOM 0 HA ILE A 77 -6.993 -1.915 -4.869 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.783 -4.783 -4.259 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.117 -3.353 -6.897 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -5.921 -4.252 -5.984 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -9.676 -4.449 -5.781 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.785 -3.401 -4.347 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.271 -2.721 -5.909 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -6.765 -5.579 -7.868 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.213 -6.342 -6.323 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -8.427 -5.430 -7.251 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.580 -2.857 -1.787 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.140 -2.381 -0.526 1.00 71.52 C ATOM 1298 C PHE A 78 -7.666 -0.962 -0.220 1.00 63.24 C ATOM 1299 O PHE A 78 -8.471 -0.132 0.189 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.793 -3.317 0.641 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.221 -2.763 1.989 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.591 -2.612 2.266 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.270 -2.358 2.952 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.009 -2.030 3.473 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.703 -1.798 4.169 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.069 -1.643 4.436 1.00 25.55 C ATOM 0 H PHE A 78 -6.991 -3.685 -1.691 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.224 -2.373 -0.640 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.273 -4.282 0.481 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.717 -3.494 0.651 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.325 -2.945 1.547 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.215 -2.478 2.755 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.062 -1.880 3.660 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -6.975 -1.485 4.903 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.395 -1.228 5.378 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.372 -0.692 -0.376 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.816 0.618 -0.046 1.00 72.11 C ATOM 1318 C VAL A 79 -6.204 1.641 -1.110 1.00 63.14 C ATOM 1319 O VAL A 79 -6.546 2.765 -0.746 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.296 0.538 0.167 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.740 1.913 0.547 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.959 -0.425 1.315 1.00 22.13 C ATOM 0 H VAL A 79 -5.689 -1.363 -0.729 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.243 0.954 0.899 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.854 0.187 -0.765 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.662 1.842 0.695 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.950 2.624 -0.252 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.211 2.254 1.469 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.878 -0.467 1.449 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.425 -0.072 2.235 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.334 -1.420 1.077 1.00 22.13 H new ATOM 1332 N SER A 80 -6.253 1.232 -2.382 1.00 34.12 N ATOM 1333 CA SER A 80 -6.604 2.066 -3.532 1.00 61.41 C ATOM 1334 C SER A 80 -7.827 2.931 -3.214 1.00 21.53 C ATOM 1335 O SER A 80 -7.833 4.134 -3.463 1.00 43.34 O ATOM 1336 CB SER A 80 -6.886 1.089 -4.690 1.00 54.34 C ATOM 1337 OG SER A 80 -7.118 1.652 -5.961 1.00 43.03 O ATOM 0 H SER A 80 -6.040 0.270 -2.647 1.00 34.12 H new ATOM 0 HA SER A 80 -5.802 2.757 -3.794 1.00 61.41 H new ATOM 0 HB2 SER A 80 -6.040 0.407 -4.771 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.755 0.488 -4.422 1.00 54.34 H new ATOM 0 HG SER A 80 -7.438 0.957 -6.573 1.00 43.03 H new ATOM 1343 N LYS A 81 -8.845 2.324 -2.604 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.145 2.962 -2.417 1.00 53.15 C ATOM 1345 C LYS A 81 -10.238 3.848 -1.183 1.00 44.31 C ATOM 1346 O LYS A 81 -11.237 4.550 -0.992 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.223 1.886 -2.522 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.111 0.644 -1.620 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.688 0.824 -0.215 1.00 70.23 C ATOM 1350 CE LYS A 81 -13.213 0.670 -0.325 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.963 1.368 0.736 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.790 1.378 -2.227 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.305 3.688 -3.214 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -12.184 2.358 -2.318 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -11.250 1.543 -3.556 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -11.622 -0.188 -2.105 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.060 0.367 -1.534 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.275 0.082 0.468 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.428 1.804 0.184 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.537 1.048 -1.294 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -13.464 -0.390 -0.296 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -14.983 1.219 0.596 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.682 0.992 1.664 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.753 2.386 0.697 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.220 3.833 -0.334 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.004 4.911 0.628 1.00 3.11 C ATOM 1367 C PHE A 82 -8.531 6.178 -0.075 1.00 61.04 C ATOM 1368 O PHE A 82 -8.976 7.254 0.317 1.00 45.15 O ATOM 1369 CB PHE A 82 -7.999 4.538 1.728 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.538 3.585 2.767 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -8.955 2.303 2.384 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -8.644 3.979 4.114 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -9.529 1.441 3.320 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -9.180 3.094 5.065 1.00 43.31 C ATOM 1375 CZ PHE A 82 -9.643 1.828 4.666 1.00 61.24 C ATOM 0 H PHE A 82 -8.528 3.085 -0.290 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.968 5.088 1.104 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.120 4.091 1.264 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.668 5.450 2.225 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -8.832 1.981 1.361 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -8.313 4.962 4.417 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -9.887 0.471 3.008 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -9.236 3.387 6.103 1.00 43.31 H new ATOM 0 HZ PHE A 82 -10.083 1.157 5.389 1.00 61.24 H new ATOM 1385 N THR A 83 -7.638 6.077 -1.057 1.00 61.12 N ATOM 1386 CA THR A 83 -6.840 7.204 -1.504 1.00 12.22 C ATOM 1387 C THR A 83 -7.354 7.745 -2.844 1.00 51.24 C ATOM 1388 O THR A 83 -8.267 7.213 -3.483 1.00 21.11 O ATOM 1389 CB THR A 83 -5.343 6.806 -1.460 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.488 7.887 -1.789 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.006 5.599 -2.333 1.00 21.44 C ATOM 0 H THR A 83 -7.451 5.210 -1.561 1.00 61.12 H new ATOM 0 HA THR A 83 -6.942 8.056 -0.832 1.00 12.22 H new ATOM 0 HB THR A 83 -5.166 6.520 -0.423 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.458 8.519 -1.041 1.00 14.11 H new ATOM 0 HG21 THR A 83 -3.942 5.378 -2.253 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.582 4.736 -1.999 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.253 5.820 -3.371 1.00 21.44 H new ATOM 1399 N GLU A 84 -6.735 8.839 -3.268 1.00 33.14 N ATOM 1400 CA GLU A 84 -6.892 9.488 -4.555 1.00 74.01 C ATOM 1401 C GLU A 84 -6.165 8.691 -5.656 1.00 43.32 C ATOM 1402 O GLU A 84 -6.367 8.953 -6.845 1.00 63.43 O ATOM 1403 CB GLU A 84 -6.296 10.903 -4.430 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.907 11.757 -3.289 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.167 13.086 -3.071 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -5.233 13.410 -3.849 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -6.520 13.867 -2.158 1.00 3.33 O ATOM 0 H GLU A 84 -6.063 9.328 -2.676 1.00 33.14 H new ATOM 0 HA GLU A 84 -7.945 9.538 -4.832 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -5.221 10.818 -4.268 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -6.436 11.428 -5.375 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -7.953 11.963 -3.517 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -6.890 11.182 -2.363 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.296 7.749 -5.272 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.436 6.968 -6.144 1.00 60.43 C ATOM 1416 C PHE A 85 -5.025 5.581 -6.392 1.00 31.05 C ATOM 1417 O PHE A 85 -4.910 4.694 -5.549 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.037 6.876 -5.528 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.260 8.175 -5.529 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.988 8.824 -6.748 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -1.772 8.710 -4.322 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -1.200 9.987 -6.762 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -0.985 9.874 -4.336 1.00 63.20 C ATOM 1424 CZ PHE A 85 -0.690 10.504 -5.557 1.00 71.12 C ATOM 0 H PHE A 85 -5.174 7.504 -4.289 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.362 7.464 -7.112 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.129 6.524 -4.500 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.464 6.125 -6.072 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -2.385 8.428 -7.671 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -2.003 8.226 -3.385 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -0.986 10.484 -7.697 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -0.608 10.283 -3.411 1.00 63.20 H new ATOM 0 HZ PHE A 85 -0.070 11.388 -5.570 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.613 5.384 -7.573 1.00 63.21 N ATOM 1435 CA ASP A 86 -6.011 4.037 -8.000 1.00 42.44 C ATOM 1436 C ASP A 86 -4.793 3.106 -8.036 1.00 50.23 C ATOM 1437 O ASP A 86 -3.651 3.550 -8.159 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.751 4.063 -9.346 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.527 2.822 -10.209 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -5.507 2.753 -10.921 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -7.345 1.875 -10.135 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.823 6.124 -8.243 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.714 3.643 -7.267 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -7.819 4.173 -9.158 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -6.433 4.943 -9.905 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.047 1.801 -7.988 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.047 0.751 -7.845 1.00 54.34 C ATOM 1448 C ALA A 87 -2.939 0.799 -8.914 1.00 42.15 C ATOM 1449 O ALA A 87 -1.804 0.403 -8.623 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.738 -0.616 -7.800 1.00 13.05 C ATOM 0 H ALA A 87 -5.996 1.433 -8.050 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.530 0.925 -6.901 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.988 -1.400 -7.693 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.422 -0.650 -6.952 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.296 -0.772 -8.723 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.217 1.289 -10.132 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.189 1.529 -11.148 1.00 71.23 C ATOM 1458 C ARG A 88 -1.216 2.576 -10.628 1.00 35.22 C ATOM 1459 O ARG A 88 -0.013 2.319 -10.637 1.00 74.21 O ATOM 1460 CB ARG A 88 -2.802 1.988 -12.486 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.671 0.918 -13.163 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.841 -0.076 -13.986 1.00 12.42 C ATOM 1463 NE ARG A 88 -3.580 -1.331 -14.212 1.00 52.53 N ATOM 1464 CZ ARG A 88 -3.520 -2.160 -15.258 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -2.936 -1.794 -16.393 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -4.045 -3.373 -15.147 1.00 13.42 N ATOM 0 H ARG A 88 -4.160 1.529 -10.437 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.665 0.592 -11.339 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.406 2.879 -12.313 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -1.999 2.275 -13.165 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -4.233 0.376 -12.402 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.400 1.403 -13.812 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -2.579 0.372 -14.944 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -1.906 -0.290 -13.467 1.00 12.42 H new ATOM 0 HE ARG A 88 -4.224 -1.603 -13.470 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -2.523 -0.865 -16.478 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -2.901 -2.442 -17.180 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -4.486 -3.660 -14.273 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -4.008 -4.019 -15.936 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.725 3.717 -10.158 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.933 4.782 -9.559 1.00 14.14 C ATOM 1482 C LYS A 89 -0.244 4.225 -8.314 1.00 2.34 C ATOM 1483 O LYS A 89 0.980 4.208 -8.279 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.781 6.030 -9.230 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.493 6.732 -10.404 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.776 6.038 -10.888 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.605 6.932 -11.821 1.00 13.54 C ATOM 1488 NZ LYS A 89 -5.324 8.018 -11.115 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.723 3.926 -10.186 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.185 5.117 -10.277 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.538 5.741 -8.501 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.133 6.759 -8.744 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.739 7.751 -10.104 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.798 6.805 -11.241 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.514 5.117 -11.409 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.381 5.756 -10.026 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.946 7.371 -12.571 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -5.328 6.315 -12.354 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -5.876 8.572 -11.801 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -5.964 7.607 -10.406 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -4.637 8.639 -10.642 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.994 3.758 -7.311 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.480 3.358 -5.997 1.00 62.33 C ATOM 1504 C LEU A 90 0.745 2.453 -6.126 1.00 70.22 C ATOM 1505 O LEU A 90 1.805 2.757 -5.579 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.573 2.637 -5.176 1.00 42.24 C ATOM 1507 CG LEU A 90 -2.128 3.373 -3.942 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.998 2.413 -3.122 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -1.099 4.059 -3.039 1.00 43.35 C ATOM 0 H LEU A 90 -2.004 3.645 -7.393 1.00 2.34 H new ATOM 0 HA LEU A 90 -0.183 4.269 -5.477 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.407 2.419 -5.843 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.171 1.680 -4.845 1.00 42.24 H new ATOM 0 HG LEU A 90 -2.713 4.198 -4.349 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -3.391 2.934 -2.249 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.826 2.058 -3.736 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.397 1.564 -2.798 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -1.610 4.542 -2.206 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -0.400 3.316 -2.654 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -0.553 4.808 -3.613 1.00 43.35 H new ATOM 1521 N HIS A 91 0.619 1.346 -6.867 1.00 11.24 N ATOM 1522 CA HIS A 91 1.692 0.361 -6.915 1.00 44.30 C ATOM 1523 C HIS A 91 2.949 0.928 -7.593 1.00 65.40 C ATOM 1524 O HIS A 91 4.064 0.596 -7.184 1.00 62.10 O ATOM 1525 CB HIS A 91 1.212 -0.952 -7.564 1.00 74.21 C ATOM 1526 CG HIS A 91 1.505 -1.063 -9.041 1.00 23.33 C ATOM 1527 ND1 HIS A 91 1.062 -0.218 -10.037 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.455 -1.881 -9.587 1.00 63.15 C ATOM 1529 CE1 HIS A 91 1.775 -0.483 -11.144 1.00 30.45 C ATOM 1530 NE2 HIS A 91 2.596 -1.526 -10.934 1.00 10.32 N ATOM 0 H HIS A 91 -0.200 1.117 -7.430 1.00 11.24 H new ATOM 0 HA HIS A 91 1.976 0.122 -5.890 1.00 44.30 H new ATOM 0 HB2 HIS A 91 1.682 -1.790 -7.049 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.137 -1.046 -7.411 1.00 74.21 H new ATOM 0 HD1 HIS A 91 0.325 0.482 -9.949 1.00 12.20 H new ATOM 0 HD2 HIS A 91 2.998 -2.660 -9.072 1.00 63.15 H new ATOM 0 HE1 HIS A 91 1.699 0.065 -12.072 1.00 30.45 H new ATOM 1538 N LYS A 92 2.796 1.770 -8.632 1.00 0.33 N ATOM 1539 CA LYS A 92 3.954 2.308 -9.338 1.00 62.41 C ATOM 1540 C LYS A 92 4.580 3.398 -8.487 1.00 4.02 C ATOM 1541 O LYS A 92 5.802 3.454 -8.411 1.00 61.24 O ATOM 1542 CB LYS A 92 3.644 2.753 -10.783 1.00 22.30 C ATOM 1543 CG LYS A 92 2.934 4.111 -10.927 1.00 2.40 C ATOM 1544 CD LYS A 92 2.682 4.531 -12.376 1.00 24.33 C ATOM 1545 CE LYS A 92 3.994 4.817 -13.114 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.776 5.488 -14.408 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.894 2.083 -8.990 1.00 0.33 H new ATOM 0 HA LYS A 92 4.683 1.509 -9.474 1.00 62.41 H new ATOM 0 HB2 LYS A 92 4.580 2.793 -11.340 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.025 1.989 -11.254 1.00 22.30 H new ATOM 0 HG2 LYS A 92 1.980 4.068 -10.401 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.535 4.877 -10.437 1.00 2.40 H new ATOM 0 HD2 LYS A 92 2.136 3.743 -12.895 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.052 5.420 -12.394 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.632 5.441 -12.487 1.00 65.23 H new ATOM 0 HE3 LYS A 92 4.527 3.880 -13.279 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 4.692 5.660 -14.869 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 3.190 4.883 -15.018 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 3.292 6.395 -14.252 1.00 43.32 H new ATOM 1560 N LEU A 93 3.769 4.218 -7.809 1.00 63.33 N ATOM 1561 CA LEU A 93 4.228 5.218 -6.859 1.00 20.11 C ATOM 1562 C LEU A 93 5.143 4.535 -5.858 1.00 43.43 C ATOM 1563 O LEU A 93 6.284 4.969 -5.720 1.00 62.13 O ATOM 1564 CB LEU A 93 3.057 5.921 -6.140 1.00 1.11 C ATOM 1565 CG LEU A 93 2.746 7.311 -6.718 1.00 52.21 C ATOM 1566 CD1 LEU A 93 2.130 7.246 -8.119 1.00 23.33 C ATOM 1567 CD2 LEU A 93 1.788 8.049 -5.784 1.00 24.41 C ATOM 0 H LEU A 93 2.755 4.198 -7.913 1.00 63.33 H new ATOM 0 HA LEU A 93 4.767 5.997 -7.398 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.167 5.296 -6.211 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.294 6.019 -5.081 1.00 1.11 H new ATOM 0 HG LEU A 93 3.694 7.843 -6.801 1.00 52.21 H new ATOM 0 HD11 LEU A 93 1.932 8.256 -8.476 1.00 23.33 H new ATOM 0 HD12 LEU A 93 2.823 6.750 -8.799 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.196 6.685 -8.080 1.00 23.33 H new ATOM 0 HD21 LEU A 93 1.567 9.035 -6.194 1.00 24.41 H new ATOM 0 HD22 LEU A 93 0.863 7.480 -5.688 1.00 24.41 H new ATOM 0 HD23 LEU A 93 2.249 8.159 -4.803 1.00 24.41 H new ATOM 1579 N TYR A 94 4.678 3.469 -5.202 1.00 62.42 N ATOM 1580 CA TYR A 94 5.480 2.706 -4.260 1.00 42.52 C ATOM 1581 C TYR A 94 6.724 2.096 -4.917 1.00 73.20 C ATOM 1582 O TYR A 94 7.822 2.293 -4.401 1.00 63.02 O ATOM 1583 CB TYR A 94 4.624 1.645 -3.572 1.00 5.32 C ATOM 1584 CG TYR A 94 5.422 0.721 -2.675 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.006 1.203 -1.486 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.628 -0.614 -3.061 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.821 0.368 -0.694 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.400 -1.464 -2.260 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.034 -0.972 -1.099 1.00 54.02 C ATOM 1590 OH TYR A 94 7.850 -1.821 -0.421 1.00 52.45 O ATOM 0 H TYR A 94 3.728 3.114 -5.314 1.00 62.42 H new ATOM 0 HA TYR A 94 5.846 3.396 -3.499 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.853 2.138 -2.980 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.113 1.052 -4.331 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.827 2.223 -1.178 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.191 -0.985 -3.976 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.277 0.746 0.209 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.511 -2.503 -2.532 1.00 73.21 H new ATOM 0 HH TYR A 94 7.856 -2.694 -0.866 1.00 52.45 H new ATOM 1600 N LYS A 95 6.605 1.364 -6.034 1.00 41.45 N ATOM 1601 CA LYS A 95 7.779 0.681 -6.587 1.00 54.30 C ATOM 1602 C LYS A 95 8.834 1.688 -7.056 1.00 22.23 C ATOM 1603 O LYS A 95 10.011 1.528 -6.742 1.00 35.23 O ATOM 1604 CB LYS A 95 7.396 -0.360 -7.653 1.00 32.21 C ATOM 1605 CG LYS A 95 8.563 -1.349 -7.857 1.00 61.25 C ATOM 1606 CD LYS A 95 8.134 -2.699 -8.454 1.00 54.15 C ATOM 1607 CE LYS A 95 9.288 -3.705 -8.306 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.908 -5.072 -8.722 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.739 1.233 -6.556 1.00 41.45 H new ATOM 0 HA LYS A 95 8.244 0.106 -5.786 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.500 -0.898 -7.344 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.160 0.138 -8.593 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.304 -0.892 -8.512 1.00 61.25 H new ATOM 0 HG3 LYS A 95 9.050 -1.525 -6.898 1.00 61.25 H new ATOM 0 HD2 LYS A 95 7.245 -3.070 -7.945 1.00 54.15 H new ATOM 0 HD3 LYS A 95 7.872 -2.579 -9.505 1.00 54.15 H new ATOM 0 HE2 LYS A 95 10.136 -3.370 -8.903 1.00 22.41 H new ATOM 0 HE3 LYS A 95 9.618 -3.724 -7.267 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 9.721 -5.710 -8.602 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 8.117 -5.406 -8.136 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 8.619 -5.063 -9.721 1.00 12.11 H new ATOM 1622 N HIS A 96 8.431 2.768 -7.730 1.00 2.14 N ATOM 1623 CA HIS A 96 9.325 3.867 -8.079 1.00 2.00 C ATOM 1624 C HIS A 96 9.855 4.563 -6.820 1.00 64.43 C ATOM 1625 O HIS A 96 10.976 5.070 -6.836 1.00 42.32 O ATOM 1626 CB HIS A 96 8.608 4.901 -8.963 1.00 24.51 C ATOM 1627 CG HIS A 96 8.120 4.397 -10.300 1.00 14.41 C ATOM 1628 ND1 HIS A 96 8.797 3.590 -11.188 1.00 42.35 N ATOM 1629 CD2 HIS A 96 6.930 4.737 -10.881 1.00 62.44 C ATOM 1630 CE1 HIS A 96 8.020 3.426 -12.271 1.00 43.34 C ATOM 1631 NE2 HIS A 96 6.874 4.119 -12.135 1.00 62.31 N ATOM 0 H HIS A 96 7.471 2.902 -8.049 1.00 2.14 H new ATOM 0 HA HIS A 96 10.162 3.441 -8.633 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.754 5.294 -8.410 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.287 5.736 -9.136 1.00 24.51 H new ATOM 0 HD1 HIS A 96 9.724 3.188 -11.048 1.00 42.35 H new ATOM 0 HD2 HIS A 96 6.169 5.370 -10.449 1.00 62.44 H new ATOM 0 HE1 HIS A 96 8.278 2.824 -13.129 1.00 43.34 H new ATOM 1639 N ALA A 97 9.073 4.640 -5.738 1.00 74.32 N ATOM 1640 CA ALA A 97 9.469 5.308 -4.508 1.00 62.11 C ATOM 1641 C ALA A 97 10.602 4.557 -3.832 1.00 21.45 C ATOM 1642 O ALA A 97 11.564 5.200 -3.407 1.00 62.01 O ATOM 1643 CB ALA A 97 8.303 5.425 -3.525 1.00 12.11 C ATOM 0 H ALA A 97 8.138 4.234 -5.698 1.00 74.32 H new ATOM 0 HA ALA A 97 9.798 6.310 -4.785 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.640 5.930 -2.619 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.498 6.000 -3.982 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.939 4.429 -3.272 1.00 12.11 H new ATOM 1649 N ILE A 98 10.474 3.235 -3.689 1.00 4.01 N ATOM 1650 CA ILE A 98 11.537 2.438 -3.107 1.00 65.43 C ATOM 1651 C ILE A 98 12.735 2.447 -4.053 1.00 70.52 C ATOM 1652 O ILE A 98 13.824 2.761 -3.598 1.00 31.14 O ATOM 1653 CB ILE A 98 11.046 1.040 -2.679 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.088 0.296 -1.819 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.629 0.148 -3.849 1.00 12.03 C ATOM 1656 CD1 ILE A 98 12.327 0.958 -0.457 1.00 25.45 C ATOM 0 H ILE A 98 9.649 2.705 -3.968 1.00 4.01 H new ATOM 0 HA ILE A 98 11.873 2.881 -2.169 1.00 65.43 H new ATOM 0 HB ILE A 98 10.156 1.236 -2.081 1.00 34.23 H new ATOM 0 HG12 ILE A 98 11.756 -0.731 -1.664 1.00 72.03 H new ATOM 0 HG13 ILE A 98 13.031 0.247 -2.363 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.296 -0.818 -3.469 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.815 0.623 -4.397 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.479 0.002 -4.516 1.00 12.03 H new ATOM 0 HD11 ILE A 98 13.070 0.387 0.100 1.00 25.45 H new ATOM 0 HD12 ILE A 98 12.688 1.976 -0.605 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.393 0.983 0.104 1.00 25.45 H new ATOM 1668 N LYS A 99 12.551 2.232 -5.361 1.00 65.44 N ATOM 1669 CA LYS A 99 13.649 2.284 -6.331 1.00 2.32 C ATOM 1670 C LYS A 99 14.446 3.586 -6.230 1.00 44.52 C ATOM 1671 O LYS A 99 15.666 3.550 -6.077 1.00 12.43 O ATOM 1672 CB LYS A 99 13.127 2.042 -7.753 1.00 70.12 C ATOM 1673 CG LYS A 99 12.976 0.543 -8.057 1.00 70.31 C ATOM 1674 CD LYS A 99 12.805 0.326 -9.564 1.00 52.12 C ATOM 1675 CE LYS A 99 12.802 -1.169 -9.899 1.00 11.33 C ATOM 1676 NZ LYS A 99 13.383 -1.417 -11.233 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.643 2.019 -5.774 1.00 65.44 H new ATOM 0 HA LYS A 99 14.344 1.480 -6.087 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.164 2.537 -7.876 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.811 2.492 -8.473 1.00 70.12 H new ATOM 0 HG2 LYS A 99 13.853 0.002 -7.701 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.115 0.141 -7.524 1.00 70.31 H new ATOM 0 HD2 LYS A 99 11.872 0.781 -9.898 1.00 52.12 H new ATOM 0 HD3 LYS A 99 13.613 0.823 -10.102 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.369 -1.715 -9.145 1.00 11.33 H new ATOM 0 HE3 LYS A 99 11.781 -1.550 -9.867 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 13.368 -2.437 -11.434 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 12.826 -0.914 -11.953 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 14.365 -1.074 -11.253 1.00 60.11 H new ATOM 1690 N LYS A 100 13.769 4.738 -6.183 1.00 42.13 N ATOM 1691 CA LYS A 100 14.389 6.056 -6.020 1.00 4.50 C ATOM 1692 C LYS A 100 15.412 6.097 -4.883 1.00 64.53 C ATOM 1693 O LYS A 100 16.419 6.789 -5.013 1.00 65.31 O ATOM 1694 CB LYS A 100 13.273 7.111 -5.878 1.00 23.44 C ATOM 1695 CG LYS A 100 13.717 8.527 -5.473 1.00 42.32 C ATOM 1696 CD LYS A 100 13.788 8.741 -3.949 1.00 74.15 C ATOM 1697 CE LYS A 100 13.981 10.229 -3.653 1.00 14.21 C ATOM 1698 NZ LYS A 100 14.075 10.512 -2.204 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.753 4.780 -6.259 1.00 42.13 H new ATOM 0 HA LYS A 100 14.976 6.287 -6.909 1.00 4.50 H new ATOM 0 HB2 LYS A 100 12.743 7.178 -6.828 1.00 23.44 H new ATOM 0 HB3 LYS A 100 12.557 6.753 -5.138 1.00 23.44 H new ATOM 0 HG2 LYS A 100 14.697 8.729 -5.905 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.024 9.252 -5.901 1.00 42.32 H new ATOM 0 HD2 LYS A 100 12.874 8.381 -3.477 1.00 74.15 H new ATOM 0 HD3 LYS A 100 14.612 8.165 -3.528 1.00 74.15 H new ATOM 0 HE2 LYS A 100 14.887 10.580 -4.148 1.00 14.21 H new ATOM 0 HE3 LYS A 100 13.149 10.791 -4.076 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 14.205 11.533 -2.057 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 13.201 10.203 -1.733 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 14.885 9.999 -1.802 1.00 55.41 H new ATOM 1712 N ARG A 101 15.209 5.367 -3.783 1.00 13.00 N ATOM 1713 CA ARG A 101 16.107 5.362 -2.624 1.00 21.24 C ATOM 1714 C ARG A 101 16.932 4.072 -2.510 1.00 32.44 C ATOM 1715 O ARG A 101 17.977 4.081 -1.868 1.00 41.23 O ATOM 1716 CB ARG A 101 15.292 5.673 -1.352 1.00 43.10 C ATOM 1717 CG ARG A 101 14.154 4.677 -1.066 1.00 13.42 C ATOM 1718 CD ARG A 101 13.095 5.173 -0.074 1.00 31.55 C ATOM 1719 NE ARG A 101 13.602 5.340 1.292 1.00 14.22 N ATOM 1720 CZ ARG A 101 13.832 4.376 2.190 1.00 32.10 C ATOM 1721 NH1 ARG A 101 13.721 3.095 1.855 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 14.157 4.712 3.425 1.00 74.22 N ATOM 0 H ARG A 101 14.403 4.752 -3.670 1.00 13.00 H new ATOM 0 HA ARG A 101 16.852 6.146 -2.758 1.00 21.24 H new ATOM 0 HB2 ARG A 101 15.968 5.689 -0.497 1.00 43.10 H new ATOM 0 HB3 ARG A 101 14.869 6.673 -1.442 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.662 4.430 -2.007 1.00 13.42 H new ATOM 0 HG3 ARG A 101 14.587 3.754 -0.681 1.00 13.42 H new ATOM 0 HD2 ARG A 101 12.699 6.126 -0.425 1.00 31.55 H new ATOM 0 HD3 ARG A 101 12.264 4.468 -0.060 1.00 31.55 H new ATOM 0 HE ARG A 101 13.801 6.295 1.589 1.00 14.22 H new ATOM 0 HH11 ARG A 101 13.458 2.838 0.904 1.00 32.33 H new ATOM 0 HH12 ARG A 101 13.899 2.369 2.549 1.00 32.33 H new ATOM 0 HH21 ARG A 101 14.230 5.696 3.683 1.00 74.22 H new ATOM 0 HH22 ARG A 101 14.335 3.988 4.121 1.00 74.22 H new ATOM 1736 N GLN A 102 16.494 2.983 -3.132 1.00 34.41 N ATOM 1737 CA GLN A 102 16.976 1.621 -2.986 1.00 70.10 C ATOM 1738 C GLN A 102 16.662 0.910 -4.309 1.00 61.44 C ATOM 1739 O GLN A 102 15.655 0.207 -4.429 1.00 72.53 O ATOM 1740 CB GLN A 102 16.284 0.996 -1.750 1.00 2.55 C ATOM 1741 CG GLN A 102 16.506 -0.512 -1.547 1.00 72.35 C ATOM 1742 CD GLN A 102 16.267 -0.926 -0.093 1.00 41.42 C ATOM 1743 OE1 GLN A 102 15.143 -1.223 0.324 1.00 50.15 O ATOM 1744 NE2 GLN A 102 17.314 -0.959 0.709 1.00 20.33 N ATOM 0 H GLN A 102 15.730 3.039 -3.806 1.00 34.41 H new ATOM 0 HA GLN A 102 18.048 1.544 -2.807 1.00 70.10 H new ATOM 0 HB2 GLN A 102 16.633 1.518 -0.859 1.00 2.55 H new ATOM 0 HB3 GLN A 102 15.212 1.179 -1.827 1.00 2.55 H new ATOM 0 HG2 GLN A 102 15.835 -1.070 -2.200 1.00 72.35 H new ATOM 0 HG3 GLN A 102 17.524 -0.773 -1.838 1.00 72.35 H new ATOM 0 HE21 GLN A 102 18.237 -0.712 0.353 1.00 20.33 H new ATOM 0 HE22 GLN A 102 17.200 -1.232 1.685 1.00 20.33 H new ATOM 1753 N GLU A 103 17.500 1.115 -5.330 1.00 12.25 N ATOM 1754 CA GLU A 103 17.384 0.430 -6.619 1.00 25.11 C ATOM 1755 C GLU A 103 17.700 -1.066 -6.452 1.00 60.21 C ATOM 1756 O GLU A 103 18.016 -1.544 -5.351 1.00 74.11 O ATOM 1757 CB GLU A 103 18.331 1.075 -7.656 1.00 24.43 C ATOM 1758 CG GLU A 103 17.885 2.453 -8.176 1.00 2.13 C ATOM 1759 CD GLU A 103 16.570 2.419 -8.969 1.00 32.20 C ATOM 1760 OE1 GLU A 103 16.119 1.317 -9.354 1.00 44.44 O1- ATOM 1761 OE2 GLU A 103 15.988 3.499 -9.220 1.00 72.01 O ATOM 0 H GLU A 103 18.284 1.766 -5.284 1.00 12.25 H new ATOM 0 HA GLU A 103 16.361 0.530 -6.981 1.00 25.11 H new ATOM 0 HB2 GLU A 103 19.320 1.175 -7.209 1.00 24.43 H new ATOM 0 HB3 GLU A 103 18.431 0.398 -8.505 1.00 24.43 H new ATOM 0 HG2 GLU A 103 17.771 3.131 -7.330 1.00 2.13 H new ATOM 0 HG3 GLU A 103 18.671 2.864 -8.810 1.00 2.13 H new ATOM 1768 N SER A 104 17.629 -1.818 -7.548 1.00 64.23 N ATOM 1769 CA SER A 104 18.067 -3.200 -7.658 1.00 2.21 C ATOM 1770 C SER A 104 19.107 -3.332 -8.779 1.00 64.02 C ATOM 1771 O SER A 104 19.421 -2.343 -9.458 1.00 13.35 O ATOM 1772 CB SER A 104 16.837 -4.093 -7.853 1.00 15.03 C ATOM 1773 OG SER A 104 16.976 -5.267 -7.081 1.00 22.12 O ATOM 0 H SER A 104 17.246 -1.460 -8.423 1.00 64.23 H new ATOM 0 HA SER A 104 18.564 -3.529 -6.746 1.00 2.21 H new ATOM 0 HB2 SER A 104 15.935 -3.556 -7.558 1.00 15.03 H new ATOM 0 HB3 SER A 104 16.725 -4.350 -8.906 1.00 15.03 H new ATOM 0 HG SER A 104 16.188 -5.836 -7.206 1.00 22.12 H new ATOM 1779 N GLN A 105 19.677 -4.533 -8.915 1.00 14.34 N ATOM 1780 CA GLN A 105 20.762 -4.854 -9.837 1.00 24.32 C ATOM 1781 C GLN A 105 20.214 -5.641 -11.025 1.00 1.12 C ATOM 1782 O GLN A 105 20.392 -5.217 -12.165 1.00 74.43 O ATOM 1783 CB GLN A 105 21.851 -5.609 -9.058 1.00 3.52 C ATOM 1784 CG GLN A 105 23.104 -5.935 -9.881 1.00 44.01 C ATOM 1785 CD GLN A 105 24.262 -6.267 -8.942 1.00 2.34 C ATOM 1786 OE1 GLN A 105 24.376 -7.374 -8.423 1.00 35.04 O ATOM 1787 NE2 GLN A 105 25.117 -5.303 -8.644 1.00 3.01 N ATOM 0 H GLN A 105 19.381 -5.338 -8.362 1.00 14.34 H new ATOM 0 HA GLN A 105 21.214 -3.952 -10.250 1.00 24.32 H new ATOM 0 HB2 GLN A 105 22.143 -5.012 -8.194 1.00 3.52 H new ATOM 0 HB3 GLN A 105 21.430 -6.539 -8.676 1.00 3.52 H new ATOM 0 HG2 GLN A 105 22.907 -6.778 -10.544 1.00 44.01 H new ATOM 0 HG3 GLN A 105 23.367 -5.087 -10.513 1.00 44.01 H new ATOM 0 HE21 GLN A 105 25.021 -4.384 -9.076 1.00 3.01 H new ATOM 0 HE22 GLN A 105 25.873 -5.478 -7.982 1.00 3.01 H new ATOM 1796 N GLN A 106 19.492 -6.732 -10.747 1.00 52.33 N ATOM 1797 CA GLN A 106 18.838 -7.608 -11.719 1.00 11.21 C ATOM 1798 C GLN A 106 19.737 -8.015 -12.904 1.00 2.01 C ATOM 1799 O GLN A 106 20.962 -7.991 -12.800 1.00 54.13 O ATOM 1800 CB GLN A 106 17.435 -7.097 -12.104 1.00 23.02 C ATOM 1801 CG GLN A 106 17.388 -5.938 -13.114 1.00 32.41 C ATOM 1802 CD GLN A 106 17.518 -4.537 -12.527 1.00 50.04 C ATOM 1803 OE1 GLN A 106 17.243 -4.296 -11.351 1.00 40.21 O ATOM 1804 NE2 GLN A 106 17.863 -3.582 -13.364 1.00 32.23 N ATOM 0 H GLN A 106 19.342 -7.042 -9.787 1.00 52.33 H new ATOM 0 HA GLN A 106 18.666 -8.559 -11.214 1.00 11.21 H new ATOM 0 HB2 GLN A 106 16.867 -7.932 -12.514 1.00 23.02 H new ATOM 0 HB3 GLN A 106 16.924 -6.780 -11.195 1.00 23.02 H new ATOM 0 HG2 GLN A 106 18.188 -6.082 -13.840 1.00 32.41 H new ATOM 0 HG3 GLN A 106 16.447 -5.996 -13.661 1.00 32.41 H new ATOM 0 HE21 GLN A 106 18.086 -3.809 -14.333 1.00 32.23 H new ATOM 0 HE22 GLN A 106 17.908 -2.615 -13.044 1.00 32.23 H new ATOM 1813 N ASN A 107 19.125 -8.526 -13.979 1.00 32.25 N ATOM 1814 CA ASN A 107 19.783 -9.131 -15.137 1.00 60.35 C ATOM 1815 C ASN A 107 19.486 -8.395 -16.452 1.00 23.12 C ATOM 1816 O ASN A 107 19.773 -8.942 -17.514 1.00 75.20 O ATOM 1817 CB ASN A 107 19.368 -10.609 -15.240 1.00 44.30 C ATOM 1818 CG ASN A 107 19.740 -11.437 -14.020 1.00 2.23 C ATOM 1819 OD1 ASN A 107 18.876 -12.023 -13.366 1.00 42.51 O ATOM 1820 ND2 ASN A 107 21.011 -11.493 -13.669 1.00 50.11 N ATOM 0 H ASN A 107 18.109 -8.528 -14.066 1.00 32.25 H new ATOM 0 HA ASN A 107 20.859 -9.051 -14.982 1.00 60.35 H new ATOM 0 HB2 ASN A 107 18.290 -10.664 -15.390 1.00 44.30 H new ATOM 0 HB3 ASN A 107 19.836 -11.047 -16.122 1.00 44.30 H new ATOM 0 HD21 ASN A 107 21.290 -12.027 -12.846 1.00 50.11 H new ATOM 0 HD22 ASN A 107 21.715 -11.002 -14.221 1.00 50.11 H new ATOM 1827 N SER A 108 18.878 -7.205 -16.421 1.00 10.55 N ATOM 1828 CA SER A 108 18.646 -6.354 -17.584 1.00 41.44 C ATOM 1829 C SER A 108 18.430 -4.933 -17.072 1.00 63.20 C ATOM 1830 O SER A 108 18.034 -4.047 -17.853 1.00 75.32 O ATOM 1831 CB SER A 108 17.445 -6.872 -18.401 1.00 45.42 C ATOM 1832 OG SER A 108 17.773 -6.993 -19.777 1.00 34.25 O ATOM 0 H SER A 108 18.524 -6.798 -15.556 1.00 10.55 H new ATOM 0 HA SER A 108 19.501 -6.368 -18.260 1.00 41.44 H new ATOM 0 HB2 SER A 108 17.129 -7.841 -18.013 1.00 45.42 H new ATOM 0 HB3 SER A 108 16.602 -6.191 -18.284 1.00 45.42 H new ATOM 0 HG SER A 108 16.994 -7.325 -20.271 1.00 34.25 H new TER 1838 SER A 108