USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 842 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 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 THR OG1 : rot -128:sc= -0.477 USER MOD Set 1.3: A 74 LYS NZ :NH3+ -175:sc= -0.141 (180deg=-0.305) USER MOD Set 2.1: A 46 MET CE :methyl -130:sc= -0.835 (180deg=-2.05!) USER MOD Set 2.2: A 91 SER OG : rot 115:sc= -0.947 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= -0.115 USER MOD Set 3.2: A 30 TYR OH : rot 44:sc= 1.18 USER MOD Set 3.3: A 40 SER OG : rot 180:sc= 1.13 USER MOD Set 4.1: A 9 THR OG1 : rot -172:sc= 1.04 USER MOD Set 4.2: A 13 THR OG1 : rot 131:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.197 (180deg=-0.205) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 1.27 (180deg=0.941) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -140:sc= 0.00864 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.113 K(o=0.11,f=-2.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.9) USER MOD Single : A 24 ASN : amide:sc=-0.00399 K(o=-0.004,f=-0.61) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 81:sc= 1.2 USER MOD Single : A 33 GLN :FLIP amide:sc= 1.09 F(o=0,f=1.1) USER MOD Single : A 37 CYS SG : rot -28:sc= 0.0647 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 1 (180deg=0.874) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 0.73 (180deg=0.522) USER MOD Single : A 43 SER OG : rot 180:sc= -0.298 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.328 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 0.886! (180deg=0.068!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 55 SER OG : rot 41:sc= 0.526 USER MOD Single : A 58 ASN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 61 MET CE :methyl 166:sc= 0 (180deg=-0.239) USER MOD Single : A 69 GLN : amide:sc= -0.0637 K(o=-0.064,f=-1.5) USER MOD Single : A 70 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.074) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -138:sc= 0 (180deg=-0.0685) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 82 GLN : amide:sc= -0.026 K(o=-0.026,f=-0.56) USER MOD Single : A 90 SER OG : rot -93:sc= 0.616 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 134:sc= 0.912 USER MOD Single : A 98 THR OG1 : rot 26:sc= 0.809 USER MOD Single : A 100 THR OG1 : rot 81:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -15.223 1.818 8.477 1.00 0.00 N ATOM 2 CA GLY A -7 -14.406 2.089 7.270 1.00 0.00 C ATOM 3 C GLY A -7 -13.532 3.310 7.460 1.00 0.00 C ATOM 4 O GLY A -7 -12.939 3.479 8.525 1.00 0.00 O ATOM 0 H1 GLY A -7 -15.258 0.793 8.649 1.00 0.00 H new ATOM 0 H2 GLY A -7 -14.797 2.293 9.298 1.00 0.00 H new ATOM 0 H3 GLY A -7 -16.188 2.178 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -13.782 1.223 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -15.060 2.238 6.411 1.00 0.00 H new ATOM 10 N PRO A -6 -13.432 4.187 6.448 1.00 0.00 N ATOM 11 CA PRO A -6 -12.653 5.424 6.550 1.00 0.00 C ATOM 12 C PRO A -6 -13.244 6.371 7.589 1.00 0.00 C ATOM 13 O PRO A -6 -14.431 6.289 7.917 1.00 0.00 O ATOM 14 CB PRO A -6 -12.741 6.038 5.147 1.00 0.00 C ATOM 15 CG PRO A -6 -13.207 4.933 4.264 1.00 0.00 C ATOM 16 CD PRO A -6 -14.060 4.047 5.126 1.00 0.00 C ATOM 0 HA PRO A -6 -11.627 5.238 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -13.436 6.877 5.128 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -11.773 6.419 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -13.777 5.322 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -12.363 4.381 3.852 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -15.101 4.370 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -14.050 3.013 4.780 1.00 0.00 H new ATOM 24 N LEU A -5 -12.420 7.265 8.109 1.00 0.00 N ATOM 25 CA LEU A -5 -12.848 8.152 9.178 1.00 0.00 C ATOM 26 C LEU A -5 -13.526 9.385 8.590 1.00 0.00 C ATOM 27 O LEU A -5 -12.858 10.306 8.118 1.00 0.00 O ATOM 28 CB LEU A -5 -11.646 8.546 10.054 1.00 0.00 C ATOM 29 CG LEU A -5 -11.968 9.005 11.490 1.00 0.00 C ATOM 30 CD1 LEU A -5 -12.684 10.348 11.504 1.00 0.00 C ATOM 31 CD2 LEU A -5 -12.804 7.957 12.212 1.00 0.00 C ATOM 0 H LEU A -5 -11.454 7.396 7.810 1.00 0.00 H new ATOM 0 HA LEU A -5 -13.569 7.633 9.809 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -10.970 7.693 10.111 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -11.105 9.348 9.552 1.00 0.00 H new ATOM 0 HG LEU A -5 -11.020 9.126 12.014 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -12.894 10.638 12.534 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -12.051 11.103 11.037 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -13.620 10.267 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -13.021 8.299 13.224 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -13.739 7.802 11.673 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -12.251 7.018 12.257 1.00 0.00 H new ATOM 43 N GLY A -4 -14.852 9.380 8.595 1.00 0.00 N ATOM 44 CA GLY A -4 -15.603 10.526 8.125 1.00 0.00 C ATOM 45 C GLY A -4 -15.696 10.572 6.615 1.00 0.00 C ATOM 46 O GLY A -4 -16.608 9.998 6.027 1.00 0.00 O ATOM 0 H GLY A -4 -15.423 8.599 8.918 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -16.607 10.498 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -15.131 11.440 8.486 1.00 0.00 H new ATOM 50 N SER A -3 -14.738 11.237 5.989 1.00 0.00 N ATOM 51 CA SER A -3 -14.730 11.393 4.544 1.00 0.00 C ATOM 52 C SER A -3 -13.301 11.553 4.006 1.00 0.00 C ATOM 53 O SER A -3 -12.962 10.946 2.992 1.00 0.00 O ATOM 54 CB SER A -3 -15.612 12.579 4.126 1.00 0.00 C ATOM 55 OG SER A -3 -15.709 12.678 2.716 1.00 0.00 O ATOM 0 H SER A -3 -13.951 11.680 6.463 1.00 0.00 H new ATOM 0 HA SER A -3 -15.144 10.485 4.105 1.00 0.00 H new ATOM 0 HB2 SER A -3 -16.608 12.463 4.554 1.00 0.00 H new ATOM 0 HB3 SER A -3 -15.198 13.503 4.530 1.00 0.00 H new ATOM 0 HG SER A -3 -16.277 13.441 2.480 1.00 0.00 H new ATOM 61 N PRO A -2 -12.439 12.384 4.640 1.00 0.00 N ATOM 62 CA PRO A -2 -11.023 12.457 4.266 1.00 0.00 C ATOM 63 C PRO A -2 -10.296 11.136 4.532 1.00 0.00 C ATOM 64 O PRO A -2 -9.768 10.911 5.622 1.00 0.00 O ATOM 65 CB PRO A -2 -10.458 13.574 5.153 1.00 0.00 C ATOM 66 CG PRO A -2 -11.419 13.692 6.283 1.00 0.00 C ATOM 67 CD PRO A -2 -12.764 13.344 5.715 1.00 0.00 C ATOM 0 HA PRO A -2 -10.893 12.652 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -9.458 13.327 5.510 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -10.378 14.512 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -11.151 13.017 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -11.417 14.702 6.694 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -13.416 12.900 6.467 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.277 14.224 5.327 1.00 0.00 H new ATOM 75 N GLU A -1 -10.291 10.264 3.531 1.00 0.00 N ATOM 76 CA GLU A -1 -9.648 8.962 3.642 1.00 0.00 C ATOM 77 C GLU A -1 -8.140 9.115 3.466 1.00 0.00 C ATOM 78 O GLU A -1 -7.616 8.939 2.365 1.00 0.00 O ATOM 79 CB GLU A -1 -10.205 8.006 2.577 1.00 0.00 C ATOM 80 CG GLU A -1 -11.722 8.015 2.473 1.00 0.00 C ATOM 81 CD GLU A -1 -12.221 7.432 1.166 1.00 0.00 C ATOM 82 OE1 GLU A -1 -12.283 8.179 0.165 1.00 0.00 O ATOM 83 OE2 GLU A -1 -12.561 6.231 1.130 1.00 0.00 O ATOM 0 H GLU A -1 -10.729 10.438 2.626 1.00 0.00 H new ATOM 0 HA GLU A -1 -9.853 8.547 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -9.783 8.272 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -9.872 6.993 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -12.143 7.448 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -12.083 9.039 2.571 1.00 0.00 H new ATOM 90 N PHE A 0 -7.453 9.463 4.548 1.00 0.00 N ATOM 91 CA PHE A 0 -6.012 9.677 4.507 1.00 0.00 C ATOM 92 C PHE A 0 -5.287 8.702 5.430 1.00 0.00 C ATOM 93 O PHE A 0 -5.669 8.519 6.586 1.00 0.00 O ATOM 94 CB PHE A 0 -5.672 11.119 4.903 1.00 0.00 C ATOM 95 CG PHE A 0 -4.200 11.431 4.856 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.570 11.676 3.646 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.450 11.479 6.021 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.219 11.964 3.599 1.00 0.00 C ATOM 99 CE2 PHE A 0 -2.098 11.766 5.979 1.00 0.00 C ATOM 100 CZ PHE A 0 -1.483 12.008 4.767 1.00 0.00 C ATOM 0 H PHE A 0 -7.873 9.603 5.467 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.677 9.500 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.200 11.803 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -6.041 11.306 5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.141 11.641 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.927 11.290 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -1.739 12.154 2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -1.524 11.801 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.427 12.232 4.732 1.00 0.00 H new ATOM 110 N MET A 1 -4.248 8.075 4.895 1.00 0.00 N ATOM 111 CA MET A 1 -3.410 7.150 5.654 1.00 0.00 C ATOM 112 C MET A 1 -1.942 7.333 5.257 1.00 0.00 C ATOM 113 O MET A 1 -1.650 7.567 4.087 1.00 0.00 O ATOM 114 CB MET A 1 -3.865 5.708 5.395 1.00 0.00 C ATOM 115 CG MET A 1 -2.963 4.654 6.012 1.00 0.00 C ATOM 116 SD MET A 1 -2.881 4.748 7.807 1.00 0.00 S ATOM 117 CE MET A 1 -1.636 3.502 8.128 1.00 0.00 C ATOM 0 H MET A 1 -3.961 8.192 3.923 1.00 0.00 H new ATOM 0 HA MET A 1 -3.509 7.360 6.719 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.875 5.581 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.917 5.542 4.319 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.321 3.666 5.723 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.958 4.762 5.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.436 3.455 9.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.994 2.532 7.782 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.719 3.760 7.599 1.00 0.00 H new ATOM 127 N GLU A 2 -1.026 7.236 6.215 1.00 0.00 N ATOM 128 CA GLU A 2 0.395 7.408 5.923 1.00 0.00 C ATOM 129 C GLU A 2 1.230 6.358 6.653 1.00 0.00 C ATOM 130 O GLU A 2 0.792 5.793 7.656 1.00 0.00 O ATOM 131 CB GLU A 2 0.860 8.816 6.320 1.00 0.00 C ATOM 132 CG GLU A 2 0.854 9.062 7.819 1.00 0.00 C ATOM 133 CD GLU A 2 1.280 10.469 8.192 1.00 0.00 C ATOM 134 OE1 GLU A 2 2.440 10.841 7.920 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.464 11.202 8.787 1.00 0.00 O ATOM 0 H GLU A 2 -1.238 7.041 7.193 1.00 0.00 H new ATOM 0 HA GLU A 2 0.536 7.280 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.868 8.977 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.216 9.551 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.147 8.877 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.520 8.347 8.301 1.00 0.00 H new ATOM 142 N GLY A 3 2.424 6.091 6.135 1.00 0.00 N ATOM 143 CA GLY A 3 3.323 5.146 6.772 1.00 0.00 C ATOM 144 C GLY A 3 4.247 4.489 5.768 1.00 0.00 C ATOM 145 O GLY A 3 4.258 4.868 4.597 1.00 0.00 O ATOM 0 H GLY A 3 2.787 6.515 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.915 5.660 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.742 4.381 7.287 1.00 0.00 H new ATOM 149 N VAL A 4 5.027 3.510 6.209 1.00 0.00 N ATOM 150 CA VAL A 4 5.916 2.802 5.300 1.00 0.00 C ATOM 151 C VAL A 4 5.515 1.334 5.208 1.00 0.00 C ATOM 152 O VAL A 4 4.860 0.801 6.109 1.00 0.00 O ATOM 153 CB VAL A 4 7.412 2.901 5.709 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.706 4.208 6.428 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.853 1.706 6.543 1.00 0.00 C ATOM 0 H VAL A 4 5.062 3.192 7.178 1.00 0.00 H new ATOM 0 HA VAL A 4 5.812 3.286 4.329 1.00 0.00 H new ATOM 0 HB VAL A 4 7.995 2.888 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.761 4.244 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.471 5.045 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.097 4.272 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.905 1.815 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.254 1.656 7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.717 0.790 5.967 1.00 0.00 H new ATOM 165 N LEU A 5 5.904 0.697 4.117 1.00 0.00 N ATOM 166 CA LEU A 5 5.639 -0.719 3.905 1.00 0.00 C ATOM 167 C LEU A 5 6.910 -1.397 3.412 1.00 0.00 C ATOM 168 O LEU A 5 7.760 -0.756 2.786 1.00 0.00 O ATOM 169 CB LEU A 5 4.516 -0.946 2.876 1.00 0.00 C ATOM 170 CG LEU A 5 3.072 -0.667 3.334 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.759 -1.376 4.645 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.808 0.823 3.445 1.00 0.00 C ATOM 0 H LEU A 5 6.412 1.144 3.353 1.00 0.00 H new ATOM 0 HA LEU A 5 5.316 -1.145 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.722 -0.319 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.570 -1.982 2.541 1.00 0.00 H new ATOM 0 HG LEU A 5 2.404 -1.068 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.733 -1.158 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.879 -2.452 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.441 -1.026 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.781 0.987 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.493 1.261 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.961 1.293 2.473 1.00 0.00 H new ATOM 184 N TYR A 6 7.045 -2.679 3.718 1.00 0.00 N ATOM 185 CA TYR A 6 8.172 -3.467 3.229 1.00 0.00 C ATOM 186 C TYR A 6 8.044 -3.695 1.727 1.00 0.00 C ATOM 187 O TYR A 6 7.292 -4.568 1.292 1.00 0.00 O ATOM 188 CB TYR A 6 8.233 -4.838 3.919 1.00 0.00 C ATOM 189 CG TYR A 6 8.573 -4.824 5.401 1.00 0.00 C ATOM 190 CD1 TYR A 6 7.953 -3.951 6.287 1.00 0.00 C ATOM 191 CD2 TYR A 6 9.509 -5.716 5.912 1.00 0.00 C ATOM 192 CE1 TYR A 6 8.252 -3.967 7.634 1.00 0.00 C ATOM 193 CE2 TYR A 6 9.817 -5.735 7.259 1.00 0.00 C ATOM 194 CZ TYR A 6 9.186 -4.858 8.116 1.00 0.00 C ATOM 195 OH TYR A 6 9.477 -4.882 9.458 1.00 0.00 O ATOM 0 H TYR A 6 6.389 -3.198 4.302 1.00 0.00 H new ATOM 0 HA TYR A 6 9.081 -2.908 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.268 -5.329 3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.973 -5.450 3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.224 -3.247 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.004 -6.406 5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.756 -3.284 8.308 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.548 -6.433 7.639 1.00 0.00 H new ATOM 0 HH TYR A 6 10.155 -5.568 9.634 1.00 0.00 H new ATOM 205 N LYS A 7 8.767 -2.920 0.936 1.00 0.00 N ATOM 206 CA LYS A 7 8.730 -3.082 -0.506 1.00 0.00 C ATOM 207 C LYS A 7 9.929 -3.894 -0.978 1.00 0.00 C ATOM 208 O LYS A 7 11.080 -3.481 -0.818 1.00 0.00 O ATOM 209 CB LYS A 7 8.698 -1.713 -1.199 1.00 0.00 C ATOM 210 CG LYS A 7 8.746 -1.775 -2.724 1.00 0.00 C ATOM 211 CD LYS A 7 7.633 -2.647 -3.296 1.00 0.00 C ATOM 212 CE LYS A 7 7.603 -2.612 -4.819 1.00 0.00 C ATOM 213 NZ LYS A 7 8.933 -2.913 -5.416 1.00 0.00 N ATOM 0 H LYS A 7 9.383 -2.177 1.266 1.00 0.00 H new ATOM 0 HA LYS A 7 7.821 -3.622 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.791 -1.188 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.542 -1.121 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.662 -0.767 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.713 -2.167 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.769 -3.675 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.672 -2.309 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.872 -3.334 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.272 -1.628 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.834 -3.028 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.588 -2.130 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.308 -3.791 -5.004 1.00 0.00 H new ATOM 227 N TRP A 8 9.647 -5.060 -1.543 1.00 0.00 N ATOM 228 CA TRP A 8 10.687 -5.905 -2.108 1.00 0.00 C ATOM 229 C TRP A 8 11.276 -5.232 -3.340 1.00 0.00 C ATOM 230 O TRP A 8 10.540 -4.720 -4.190 1.00 0.00 O ATOM 231 CB TRP A 8 10.118 -7.281 -2.479 1.00 0.00 C ATOM 232 CG TRP A 8 11.153 -8.235 -2.998 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.548 -8.391 -4.297 1.00 0.00 C ATOM 234 CD2 TRP A 8 11.923 -9.167 -2.230 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.520 -9.356 -4.381 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.766 -9.849 -3.127 1.00 0.00 C ATOM 237 CE3 TRP A 8 11.984 -9.489 -0.871 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.658 -10.830 -2.709 1.00 0.00 C ATOM 239 CZ3 TRP A 8 12.869 -10.467 -0.458 1.00 0.00 C ATOM 240 CH2 TRP A 8 13.697 -11.125 -1.375 1.00 0.00 C ATOM 0 H TRP A 8 8.704 -5.442 -1.622 1.00 0.00 H new ATOM 0 HA TRP A 8 11.471 -6.047 -1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.641 -7.717 -1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.342 -7.153 -3.234 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.153 -7.836 -5.135 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.984 -9.657 -5.238 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.351 -8.983 -0.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.298 -11.341 -3.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.923 -10.728 0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.381 -11.882 -1.021 1.00 0.00 H new ATOM 251 N THR A 9 12.595 -5.222 -3.427 1.00 0.00 N ATOM 252 CA THR A 9 13.281 -4.594 -4.542 1.00 0.00 C ATOM 253 C THR A 9 14.112 -5.616 -5.309 1.00 0.00 C ATOM 254 O THR A 9 13.855 -5.891 -6.480 1.00 0.00 O ATOM 255 CB THR A 9 14.180 -3.441 -4.057 1.00 0.00 C ATOM 256 OG1 THR A 9 14.886 -3.836 -2.870 1.00 0.00 O ATOM 257 CG2 THR A 9 13.352 -2.199 -3.769 1.00 0.00 C ATOM 0 H THR A 9 13.214 -5.644 -2.735 1.00 0.00 H new ATOM 0 HA THR A 9 12.524 -4.185 -5.211 1.00 0.00 H new ATOM 0 HB THR A 9 14.896 -3.209 -4.845 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.356 -3.062 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.006 -1.397 -3.428 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.837 -1.886 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.618 -2.423 -2.995 1.00 0.00 H new ATOM 265 N ASN A 10 15.101 -6.178 -4.634 1.00 0.00 N ATOM 266 CA ASN A 10 15.960 -7.196 -5.219 1.00 0.00 C ATOM 267 C ASN A 10 16.463 -8.088 -4.103 1.00 0.00 C ATOM 268 O ASN A 10 16.411 -7.708 -2.944 1.00 0.00 O ATOM 269 CB ASN A 10 17.136 -6.534 -5.946 1.00 0.00 C ATOM 270 CG ASN A 10 18.003 -7.512 -6.719 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.547 -8.571 -7.144 1.00 0.00 O ATOM 272 ND2 ASN A 10 19.260 -7.149 -6.917 1.00 0.00 N ATOM 0 H ASN A 10 15.331 -5.943 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 10 15.404 -7.789 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.750 -5.782 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.755 -6.011 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 10 19.890 -7.757 -7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 10 19.599 -6.261 -6.547 1.00 0.00 H new ATOM 279 N TYR A 11 16.955 -9.265 -4.446 1.00 0.00 N ATOM 280 CA TYR A 11 17.380 -10.230 -3.436 1.00 0.00 C ATOM 281 C TYR A 11 18.714 -9.834 -2.811 1.00 0.00 C ATOM 282 O TYR A 11 19.080 -10.331 -1.747 1.00 0.00 O ATOM 283 CB TYR A 11 17.448 -11.645 -4.021 1.00 0.00 C ATOM 284 CG TYR A 11 18.143 -11.736 -5.358 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.519 -11.596 -5.463 1.00 0.00 C ATOM 286 CD2 TYR A 11 17.418 -11.976 -6.516 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.152 -11.684 -6.683 1.00 0.00 C ATOM 288 CE2 TYR A 11 18.043 -12.066 -7.740 1.00 0.00 C ATOM 289 CZ TYR A 11 19.411 -11.921 -7.820 1.00 0.00 C ATOM 290 OH TYR A 11 20.040 -12.014 -9.039 1.00 0.00 O ATOM 0 H TYR A 11 17.072 -9.579 -5.410 1.00 0.00 H new ATOM 0 HA TYR A 11 16.631 -10.227 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.964 -12.293 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.434 -12.031 -4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.104 -11.415 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.346 -12.094 -6.457 1.00 0.00 H new ATOM 0 HE1 TYR A 11 21.224 -11.568 -6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.464 -12.249 -8.633 1.00 0.00 H new ATOM 0 HH TYR A 11 19.375 -12.185 -9.738 1.00 0.00 H new ATOM 300 N LEU A 12 19.442 -8.945 -3.483 1.00 0.00 N ATOM 301 CA LEU A 12 20.682 -8.402 -2.939 1.00 0.00 C ATOM 302 C LEU A 12 20.374 -7.415 -1.821 1.00 0.00 C ATOM 303 O LEU A 12 21.041 -7.395 -0.789 1.00 0.00 O ATOM 304 CB LEU A 12 21.497 -7.705 -4.035 1.00 0.00 C ATOM 305 CG LEU A 12 21.976 -8.608 -5.171 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.746 -7.800 -6.202 1.00 0.00 C ATOM 307 CD2 LEU A 12 22.842 -9.733 -4.632 1.00 0.00 C ATOM 0 H LEU A 12 19.194 -8.586 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 12 21.271 -9.228 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.892 -6.905 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.367 -7.237 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 12 21.101 -9.045 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.080 -8.458 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.099 -7.025 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.612 -7.337 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.173 -10.365 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.711 -9.313 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.265 -10.330 -3.926 1.00 0.00 H new ATOM 319 N THR A 13 19.351 -6.607 -2.040 1.00 0.00 N ATOM 320 CA THR A 13 18.940 -5.601 -1.080 1.00 0.00 C ATOM 321 C THR A 13 17.946 -6.167 -0.068 1.00 0.00 C ATOM 322 O THR A 13 17.882 -5.719 1.078 1.00 0.00 O ATOM 323 CB THR A 13 18.307 -4.407 -1.814 1.00 0.00 C ATOM 324 OG1 THR A 13 17.445 -4.886 -2.855 1.00 0.00 O ATOM 325 CG2 THR A 13 19.378 -3.514 -2.413 1.00 0.00 C ATOM 0 H THR A 13 18.784 -6.631 -2.887 1.00 0.00 H new ATOM 0 HA THR A 13 19.827 -5.273 -0.537 1.00 0.00 H new ATOM 0 HB THR A 13 17.731 -3.824 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.577 -4.436 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.907 -2.676 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.023 -3.137 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.974 -4.087 -3.123 1.00 0.00 H new ATOM 333 N GLY A 14 17.173 -7.149 -0.502 1.00 0.00 N ATOM 334 CA GLY A 14 16.161 -7.734 0.345 1.00 0.00 C ATOM 335 C GLY A 14 14.884 -6.927 0.298 1.00 0.00 C ATOM 336 O GLY A 14 14.101 -7.041 -0.646 1.00 0.00 O ATOM 0 H GLY A 14 17.231 -7.554 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.961 -8.757 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.525 -7.786 1.371 1.00 0.00 H new ATOM 340 N TRP A 15 14.694 -6.078 1.291 1.00 0.00 N ATOM 341 CA TRP A 15 13.513 -5.240 1.350 1.00 0.00 C ATOM 342 C TRP A 15 13.922 -3.800 1.624 1.00 0.00 C ATOM 343 O TRP A 15 14.950 -3.547 2.259 1.00 0.00 O ATOM 344 CB TRP A 15 12.549 -5.744 2.436 1.00 0.00 C ATOM 345 CG TRP A 15 12.898 -5.291 3.826 1.00 0.00 C ATOM 346 CD1 TRP A 15 13.839 -5.819 4.667 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.288 -4.212 4.532 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.849 -5.122 5.853 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.904 -4.128 5.792 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.279 -3.304 4.213 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.537 -3.170 6.736 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.914 -2.357 5.144 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.542 -2.292 6.393 1.00 0.00 C ATOM 0 H TRP A 15 15.343 -5.951 2.067 1.00 0.00 H new ATOM 0 HA TRP A 15 12.996 -5.285 0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.541 -5.405 2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.532 -6.834 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.478 -6.658 4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.459 -5.313 6.648 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.791 -3.343 3.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.019 -3.122 7.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.130 -1.653 4.906 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.237 -1.535 7.100 1.00 0.00 H new ATOM 364 N GLN A 16 13.137 -2.864 1.125 1.00 0.00 N ATOM 365 CA GLN A 16 13.385 -1.455 1.371 1.00 0.00 C ATOM 366 C GLN A 16 12.108 -0.768 1.826 1.00 0.00 C ATOM 367 O GLN A 16 11.084 -0.835 1.142 1.00 0.00 O ATOM 368 CB GLN A 16 13.933 -0.781 0.109 1.00 0.00 C ATOM 369 CG GLN A 16 15.377 -1.148 -0.190 1.00 0.00 C ATOM 370 CD GLN A 16 16.330 -0.647 0.877 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.094 0.390 1.493 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.407 -1.378 1.111 1.00 0.00 N ATOM 0 H GLN A 16 12.320 -3.054 0.545 1.00 0.00 H new ATOM 0 HA GLN A 16 14.130 -1.365 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.311 -1.059 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.856 0.301 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.465 -2.231 -0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.663 -0.730 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.569 -2.233 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.076 -1.087 1.824 1.00 0.00 H new ATOM 381 N PRO A 17 12.140 -0.127 3.004 1.00 0.00 N ATOM 382 CA PRO A 17 10.996 0.624 3.522 1.00 0.00 C ATOM 383 C PRO A 17 10.689 1.846 2.672 1.00 0.00 C ATOM 384 O PRO A 17 11.495 2.769 2.576 1.00 0.00 O ATOM 385 CB PRO A 17 11.442 1.052 4.921 1.00 0.00 C ATOM 386 CG PRO A 17 12.931 1.026 4.869 1.00 0.00 C ATOM 387 CD PRO A 17 13.283 -0.097 3.936 1.00 0.00 C ATOM 0 HA PRO A 17 10.084 0.027 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.072 2.047 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.061 0.372 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.327 1.975 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.355 0.860 5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.223 0.090 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.395 -1.042 4.467 1.00 0.00 H new ATOM 395 N ARG A 18 9.529 1.847 2.052 1.00 0.00 N ATOM 396 CA ARG A 18 9.120 2.966 1.228 1.00 0.00 C ATOM 397 C ARG A 18 7.898 3.631 1.828 1.00 0.00 C ATOM 398 O ARG A 18 7.110 2.982 2.518 1.00 0.00 O ATOM 399 CB ARG A 18 8.841 2.521 -0.210 1.00 0.00 C ATOM 400 CG ARG A 18 10.103 2.224 -1.006 1.00 0.00 C ATOM 401 CD ARG A 18 11.023 3.438 -1.047 1.00 0.00 C ATOM 402 NE ARG A 18 12.187 3.230 -1.910 1.00 0.00 N ATOM 403 CZ ARG A 18 13.120 4.158 -2.130 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.068 5.317 -1.485 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.113 3.919 -2.980 1.00 0.00 N ATOM 0 H ARG A 18 8.852 1.086 2.102 1.00 0.00 H new ATOM 0 HA ARG A 18 9.937 3.687 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.214 1.630 -0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.274 3.300 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.629 1.380 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.836 1.931 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.462 4.303 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.360 3.669 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 18 12.291 2.325 -2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.315 5.498 -0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.781 6.027 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.164 3.024 -3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.825 4.631 -3.146 1.00 0.00 H new ATOM 419 N TRP A 19 7.739 4.917 1.557 1.00 0.00 N ATOM 420 CA TRP A 19 6.676 5.696 2.164 1.00 0.00 C ATOM 421 C TRP A 19 5.463 5.725 1.251 1.00 0.00 C ATOM 422 O TRP A 19 5.560 6.106 0.084 1.00 0.00 O ATOM 423 CB TRP A 19 7.161 7.122 2.449 1.00 0.00 C ATOM 424 CG TRP A 19 6.193 7.933 3.253 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.205 8.742 2.777 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.124 8.015 4.681 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.523 9.318 3.822 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.068 8.884 5.000 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.852 7.433 5.717 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.722 9.186 6.314 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.510 7.731 7.020 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.452 8.598 7.309 1.00 0.00 C ATOM 0 H TRP A 19 8.336 5.443 0.918 1.00 0.00 H new ATOM 0 HA TRP A 19 6.393 5.229 3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.112 7.074 2.980 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.349 7.629 1.503 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.989 8.906 1.732 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.738 9.964 3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.670 6.760 5.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.908 9.859 6.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.069 7.287 7.830 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.206 8.808 8.340 1.00 0.00 H new ATOM 443 N PHE A 20 4.330 5.307 1.788 1.00 0.00 N ATOM 444 CA PHE A 20 3.091 5.269 1.034 1.00 0.00 C ATOM 445 C PHE A 20 2.033 6.112 1.733 1.00 0.00 C ATOM 446 O PHE A 20 2.011 6.199 2.961 1.00 0.00 O ATOM 447 CB PHE A 20 2.578 3.829 0.899 1.00 0.00 C ATOM 448 CG PHE A 20 3.486 2.903 0.135 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.531 2.247 0.769 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.284 2.678 -1.215 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.357 1.389 0.068 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.105 1.821 -1.920 1.00 0.00 C ATOM 453 CZ PHE A 20 5.143 1.175 -1.279 1.00 0.00 C ATOM 0 H PHE A 20 4.244 4.987 2.753 1.00 0.00 H new ATOM 0 HA PHE A 20 3.287 5.669 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.421 3.419 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.606 3.850 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.701 2.409 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.474 3.179 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.169 0.887 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.935 1.656 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.786 0.504 -1.830 1.00 0.00 H new ATOM 463 N VAL A 21 1.172 6.743 0.954 1.00 0.00 N ATOM 464 CA VAL A 21 0.052 7.485 1.505 1.00 0.00 C ATOM 465 C VAL A 21 -1.233 7.143 0.762 1.00 0.00 C ATOM 466 O VAL A 21 -1.253 7.044 -0.468 1.00 0.00 O ATOM 467 CB VAL A 21 0.270 9.020 1.487 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.437 9.421 2.373 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.480 9.537 0.075 1.00 0.00 C ATOM 0 H VAL A 21 1.227 6.756 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.029 7.183 2.549 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.637 9.476 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.564 10.503 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.238 9.111 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.347 8.937 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.629 10.616 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.358 9.060 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.396 9.307 -0.531 1.00 0.00 H new ATOM 479 N LEU A 22 -2.298 6.941 1.514 1.00 0.00 N ATOM 480 CA LEU A 22 -3.601 6.683 0.932 1.00 0.00 C ATOM 481 C LEU A 22 -4.400 7.967 1.019 1.00 0.00 C ATOM 482 O LEU A 22 -4.611 8.497 2.109 1.00 0.00 O ATOM 483 CB LEU A 22 -4.312 5.541 1.688 1.00 0.00 C ATOM 484 CG LEU A 22 -5.563 4.927 1.020 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.752 5.875 1.068 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.276 4.529 -0.421 1.00 0.00 C ATOM 0 H LEU A 22 -2.286 6.951 2.534 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.503 6.370 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.589 4.742 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.602 5.914 2.670 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.818 4.033 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.611 5.406 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.995 6.101 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.503 6.798 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.174 4.100 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.975 5.410 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.473 3.792 -0.442 1.00 0.00 H new ATOM 498 N ASP A 23 -4.811 8.473 -0.125 1.00 0.00 N ATOM 499 CA ASP A 23 -5.549 9.723 -0.182 1.00 0.00 C ATOM 500 C ASP A 23 -6.727 9.606 -1.136 1.00 0.00 C ATOM 501 O ASP A 23 -6.550 9.518 -2.353 1.00 0.00 O ATOM 502 CB ASP A 23 -4.624 10.862 -0.623 1.00 0.00 C ATOM 503 CG ASP A 23 -5.313 12.216 -0.644 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.286 12.921 0.389 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.855 12.598 -1.705 1.00 0.00 O ATOM 0 H ASP A 23 -4.647 8.038 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.932 9.944 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.767 10.907 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.237 10.643 -1.618 1.00 0.00 H new ATOM 510 N ASN A 24 -7.920 9.558 -0.555 1.00 0.00 N ATOM 511 CA ASN A 24 -9.177 9.609 -1.302 1.00 0.00 C ATOM 512 C ASN A 24 -9.246 8.550 -2.403 1.00 0.00 C ATOM 513 O ASN A 24 -9.629 8.839 -3.538 1.00 0.00 O ATOM 514 CB ASN A 24 -9.368 11.011 -1.892 1.00 0.00 C ATOM 515 CG ASN A 24 -9.630 12.060 -0.825 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.304 11.795 0.175 1.00 0.00 O ATOM 517 ND2 ASN A 24 -9.076 13.249 -1.012 1.00 0.00 N ATOM 0 H ASN A 24 -8.046 9.482 0.454 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.986 9.389 -0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.479 11.288 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.201 10.996 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.200 13.984 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.526 13.429 -1.852 1.00 0.00 H new ATOM 524 N GLY A 25 -8.872 7.322 -2.066 1.00 0.00 N ATOM 525 CA GLY A 25 -8.973 6.231 -3.018 1.00 0.00 C ATOM 526 C GLY A 25 -7.711 6.028 -3.833 1.00 0.00 C ATOM 527 O GLY A 25 -7.615 5.083 -4.619 1.00 0.00 O ATOM 0 H GLY A 25 -8.501 7.062 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.203 5.310 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.807 6.423 -3.694 1.00 0.00 H new ATOM 531 N ILE A 26 -6.740 6.912 -3.672 1.00 0.00 N ATOM 532 CA ILE A 26 -5.491 6.791 -4.405 1.00 0.00 C ATOM 533 C ILE A 26 -4.342 6.469 -3.456 1.00 0.00 C ATOM 534 O ILE A 26 -4.174 7.123 -2.432 1.00 0.00 O ATOM 535 CB ILE A 26 -5.160 8.078 -5.194 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.329 8.476 -6.107 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.889 7.884 -6.008 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.765 7.381 -7.060 1.00 0.00 C ATOM 0 H ILE A 26 -6.791 7.715 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.616 5.976 -5.118 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.998 8.886 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.178 8.765 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.043 9.355 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.667 8.798 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.060 7.653 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.028 7.062 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.594 7.739 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.931 7.107 -7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.084 6.508 -6.490 1.00 0.00 H new ATOM 550 N LEU A 27 -3.567 5.454 -3.794 1.00 0.00 N ATOM 551 CA LEU A 27 -2.435 5.051 -2.976 1.00 0.00 C ATOM 552 C LEU A 27 -1.149 5.455 -3.685 1.00 0.00 C ATOM 553 O LEU A 27 -0.797 4.888 -4.711 1.00 0.00 O ATOM 554 CB LEU A 27 -2.498 3.526 -2.731 1.00 0.00 C ATOM 555 CG LEU A 27 -1.568 2.955 -1.646 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.121 2.928 -2.110 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.700 3.751 -0.356 1.00 0.00 C ATOM 0 H LEU A 27 -3.701 4.891 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.463 5.546 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.524 3.267 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.272 3.022 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.874 1.926 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.507 2.519 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.036 2.304 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.205 3.941 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.035 3.333 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.430 4.791 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.729 3.701 -0.001 1.00 0.00 H new ATOM 569 N SER A 28 -0.449 6.435 -3.143 1.00 0.00 N ATOM 570 CA SER A 28 0.745 6.947 -3.794 1.00 0.00 C ATOM 571 C SER A 28 1.992 6.651 -2.967 1.00 0.00 C ATOM 572 O SER A 28 1.931 6.578 -1.738 1.00 0.00 O ATOM 573 CB SER A 28 0.602 8.446 -4.058 1.00 0.00 C ATOM 574 OG SER A 28 0.028 9.112 -2.948 1.00 0.00 O ATOM 0 H SER A 28 -0.683 6.890 -2.261 1.00 0.00 H new ATOM 0 HA SER A 28 0.859 6.439 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.581 8.874 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.018 8.604 -4.940 1.00 0.00 H new ATOM 0 HG SER A 28 -0.050 10.069 -3.145 1.00 0.00 H new ATOM 580 N TYR A 29 3.115 6.465 -3.646 1.00 0.00 N ATOM 581 CA TYR A 29 4.365 6.134 -2.980 1.00 0.00 C ATOM 582 C TYR A 29 5.407 7.217 -3.218 1.00 0.00 C ATOM 583 O TYR A 29 5.395 7.889 -4.253 1.00 0.00 O ATOM 584 CB TYR A 29 4.891 4.773 -3.457 1.00 0.00 C ATOM 585 CG TYR A 29 5.070 4.654 -4.956 1.00 0.00 C ATOM 586 CD1 TYR A 29 6.256 5.040 -5.564 1.00 0.00 C ATOM 587 CD2 TYR A 29 4.057 4.144 -5.759 1.00 0.00 C ATOM 588 CE1 TYR A 29 6.429 4.926 -6.929 1.00 0.00 C ATOM 589 CE2 TYR A 29 4.223 4.027 -7.126 1.00 0.00 C ATOM 590 CZ TYR A 29 5.410 4.421 -7.705 1.00 0.00 C ATOM 591 OH TYR A 29 5.585 4.300 -9.065 1.00 0.00 O ATOM 0 H TYR A 29 3.185 6.538 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 29 4.170 6.073 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.849 4.579 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.203 3.996 -3.124 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.058 5.437 -4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.126 3.834 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.359 5.231 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.427 3.629 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 29 4.773 3.926 -9.467 1.00 0.00 H new ATOM 601 N TYR A 30 6.292 7.389 -2.250 1.00 0.00 N ATOM 602 CA TYR A 30 7.364 8.368 -2.348 1.00 0.00 C ATOM 603 C TYR A 30 8.687 7.739 -1.939 1.00 0.00 C ATOM 604 O TYR A 30 8.716 6.596 -1.473 1.00 0.00 O ATOM 605 CB TYR A 30 7.072 9.577 -1.457 1.00 0.00 C ATOM 606 CG TYR A 30 5.782 10.285 -1.795 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.756 11.316 -2.723 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.590 9.919 -1.184 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.577 11.964 -3.030 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.408 10.563 -1.486 1.00 0.00 C ATOM 611 CZ TYR A 30 3.407 11.583 -2.410 1.00 0.00 C ATOM 612 OH TYR A 30 2.231 12.223 -2.719 1.00 0.00 O ATOM 0 H TYR A 30 6.289 6.858 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 30 7.429 8.702 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.035 9.250 -0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.897 10.285 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.671 11.616 -3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.588 9.117 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.571 12.766 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.489 10.269 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 30 2.165 12.336 -3.690 1.00 0.00 H new ATOM 622 N ASP A 31 9.776 8.470 -2.104 1.00 0.00 N ATOM 623 CA ASP A 31 11.083 7.962 -1.703 1.00 0.00 C ATOM 624 C ASP A 31 11.207 7.931 -0.183 1.00 0.00 C ATOM 625 O ASP A 31 11.710 6.964 0.392 1.00 0.00 O ATOM 626 CB ASP A 31 12.196 8.828 -2.297 1.00 0.00 C ATOM 627 CG ASP A 31 13.558 8.513 -1.705 1.00 0.00 C ATOM 628 OD1 ASP A 31 14.241 7.597 -2.213 1.00 0.00 O ATOM 629 OD2 ASP A 31 13.951 9.181 -0.725 1.00 0.00 O ATOM 0 H ASP A 31 9.786 9.407 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 31 11.183 6.945 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.230 8.680 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.964 9.879 -2.126 1.00 0.00 H new ATOM 634 N SER A 32 10.681 8.966 0.456 1.00 0.00 N ATOM 635 CA SER A 32 10.775 9.127 1.901 1.00 0.00 C ATOM 636 C SER A 32 9.626 9.999 2.402 1.00 0.00 C ATOM 637 O SER A 32 8.784 10.425 1.611 1.00 0.00 O ATOM 638 CB SER A 32 12.110 9.779 2.284 1.00 0.00 C ATOM 639 OG SER A 32 13.220 8.980 1.911 1.00 0.00 O ATOM 0 H SER A 32 10.177 9.719 -0.012 1.00 0.00 H new ATOM 0 HA SER A 32 10.716 8.141 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.188 10.754 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.133 9.951 3.360 1.00 0.00 H new ATOM 0 HG SER A 32 13.411 9.110 0.959 1.00 0.00 H new ATOM 645 N GLN A 33 9.600 10.280 3.702 1.00 0.00 N ATOM 646 CA GLN A 33 8.574 11.153 4.267 1.00 0.00 C ATOM 647 C GLN A 33 8.709 12.566 3.699 1.00 0.00 C ATOM 648 O GLN A 33 7.723 13.194 3.318 1.00 0.00 O ATOM 649 CB GLN A 33 8.668 11.174 5.799 1.00 0.00 C ATOM 650 CG GLN A 33 7.646 12.086 6.467 1.00 0.00 C ATOM 651 CD GLN A 33 7.621 11.937 7.980 1.00 0.00 C ATOM 652 OE1 GLN A 33 8.447 12.707 8.671 1.00 0.00 O flip ATOM 653 NE2 GLN A 33 6.865 11.131 8.523 1.00 0.00 N flip ATOM 0 H GLN A 33 10.272 9.919 4.380 1.00 0.00 H new ATOM 0 HA GLN A 33 7.595 10.762 3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.536 10.160 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.669 11.494 6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.870 13.122 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.655 11.867 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.242 10.555 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.861 11.040 9.539 1.00 0.00 H new ATOM 662 N ASP A 34 9.945 13.046 3.615 1.00 0.00 N ATOM 663 CA ASP A 34 10.228 14.378 3.078 1.00 0.00 C ATOM 664 C ASP A 34 9.877 14.464 1.594 1.00 0.00 C ATOM 665 O ASP A 34 9.513 15.526 1.085 1.00 0.00 O ATOM 666 CB ASP A 34 11.708 14.718 3.274 1.00 0.00 C ATOM 667 CG ASP A 34 12.089 16.058 2.669 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.914 17.093 3.344 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.583 16.075 1.524 1.00 0.00 O ATOM 0 H ASP A 34 10.773 12.531 3.913 1.00 0.00 H new ATOM 0 HA ASP A 34 9.611 15.095 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.936 14.728 4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.319 13.935 2.825 1.00 0.00 H new ATOM 674 N ASP A 35 9.957 13.326 0.913 1.00 0.00 N ATOM 675 CA ASP A 35 9.758 13.272 -0.535 1.00 0.00 C ATOM 676 C ASP A 35 8.300 13.536 -0.900 1.00 0.00 C ATOM 677 O ASP A 35 7.980 13.847 -2.046 1.00 0.00 O ATOM 678 CB ASP A 35 10.210 11.916 -1.084 1.00 0.00 C ATOM 679 CG ASP A 35 10.212 11.870 -2.602 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.992 12.627 -3.221 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.452 11.065 -3.176 1.00 0.00 O ATOM 0 H ASP A 35 10.159 12.423 1.341 1.00 0.00 H new ATOM 0 HA ASP A 35 10.365 14.055 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.212 11.696 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.552 11.136 -0.702 1.00 0.00 H new ATOM 686 N VAL A 36 7.421 13.441 0.088 1.00 0.00 N ATOM 687 CA VAL A 36 6.008 13.737 -0.112 1.00 0.00 C ATOM 688 C VAL A 36 5.827 15.178 -0.577 1.00 0.00 C ATOM 689 O VAL A 36 4.983 15.474 -1.423 1.00 0.00 O ATOM 690 CB VAL A 36 5.199 13.518 1.183 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.749 13.943 1.003 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.270 12.065 1.615 1.00 0.00 C ATOM 0 H VAL A 36 7.662 13.161 1.039 1.00 0.00 H new ATOM 0 HA VAL A 36 5.637 13.054 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 36 5.641 14.139 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.203 13.777 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.710 15.001 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.294 13.356 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.694 11.929 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.858 11.431 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.309 11.790 1.796 1.00 0.00 H new ATOM 702 N CYS A 37 6.648 16.064 -0.032 1.00 0.00 N ATOM 703 CA CYS A 37 6.570 17.480 -0.347 1.00 0.00 C ATOM 704 C CYS A 37 7.075 17.751 -1.761 1.00 0.00 C ATOM 705 O CYS A 37 6.732 18.766 -2.370 1.00 0.00 O ATOM 706 CB CYS A 37 7.399 18.280 0.659 1.00 0.00 C ATOM 707 SG CYS A 37 7.301 20.075 0.452 1.00 0.00 S ATOM 0 H CYS A 37 7.381 15.823 0.635 1.00 0.00 H new ATOM 0 HA CYS A 37 5.526 17.789 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.070 18.025 1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.442 17.974 0.577 1.00 0.00 H new ATOM 0 HG CYS A 37 7.049 20.355 -0.792 1.00 0.00 H new ATOM 713 N LYS A 38 7.889 16.835 -2.281 1.00 0.00 N ATOM 714 CA LYS A 38 8.503 17.006 -3.588 1.00 0.00 C ATOM 715 C LYS A 38 7.480 16.871 -4.714 1.00 0.00 C ATOM 716 O LYS A 38 7.772 17.191 -5.866 1.00 0.00 O ATOM 717 CB LYS A 38 9.621 15.981 -3.805 1.00 0.00 C ATOM 718 CG LYS A 38 10.596 15.845 -2.644 1.00 0.00 C ATOM 719 CD LYS A 38 11.133 17.184 -2.195 1.00 0.00 C ATOM 720 CE LYS A 38 12.640 17.136 -1.991 1.00 0.00 C ATOM 721 NZ LYS A 38 13.058 16.074 -1.033 1.00 0.00 N ATOM 0 H LYS A 38 8.137 15.964 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 38 8.920 18.013 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.170 15.008 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.179 16.257 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.097 15.356 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.425 15.203 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.889 17.944 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.647 17.479 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.127 16.965 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.984 18.104 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.056 16.213 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.468 16.126 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.942 15.141 -1.477 1.00 0.00 H new ATOM 735 N GLY A 39 6.295 16.372 -4.388 1.00 0.00 N ATOM 736 CA GLY A 39 5.281 16.188 -5.396 1.00 0.00 C ATOM 737 C GLY A 39 5.258 14.768 -5.905 1.00 0.00 C ATOM 738 O GLY A 39 6.305 14.202 -6.219 1.00 0.00 O ATOM 0 H GLY A 39 6.023 16.093 -3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.305 16.443 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.464 16.870 -6.226 1.00 0.00 H new ATOM 742 N SER A 40 4.068 14.195 -5.961 1.00 0.00 N ATOM 743 CA SER A 40 3.881 12.817 -6.405 1.00 0.00 C ATOM 744 C SER A 40 4.447 12.592 -7.806 1.00 0.00 C ATOM 745 O SER A 40 4.237 13.401 -8.711 1.00 0.00 O ATOM 746 CB SER A 40 2.396 12.460 -6.406 1.00 0.00 C ATOM 747 OG SER A 40 1.744 12.952 -5.243 1.00 0.00 O ATOM 0 H SER A 40 3.203 14.668 -5.701 1.00 0.00 H new ATOM 0 HA SER A 40 4.420 12.176 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.921 12.876 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.280 11.377 -6.459 1.00 0.00 H new ATOM 0 HG SER A 40 0.795 12.709 -5.273 1.00 0.00 H new ATOM 753 N LYS A 41 5.168 11.490 -7.971 1.00 0.00 N ATOM 754 CA LYS A 41 5.683 11.099 -9.279 1.00 0.00 C ATOM 755 C LYS A 41 4.859 9.963 -9.851 1.00 0.00 C ATOM 756 O LYS A 41 4.819 9.753 -11.062 1.00 0.00 O ATOM 757 CB LYS A 41 7.148 10.667 -9.206 1.00 0.00 C ATOM 758 CG LYS A 41 8.117 11.810 -9.384 1.00 0.00 C ATOM 759 CD LYS A 41 8.103 12.730 -8.189 1.00 0.00 C ATOM 760 CE LYS A 41 8.718 14.061 -8.535 1.00 0.00 C ATOM 761 NZ LYS A 41 8.887 14.927 -7.340 1.00 0.00 N ATOM 0 H LYS A 41 5.410 10.850 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 41 5.613 11.973 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.332 10.191 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.337 9.917 -9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.123 11.417 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.859 12.372 -10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.078 12.875 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.652 12.273 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.688 13.900 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.090 14.571 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.001 15.916 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.048 14.845 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.730 14.627 -6.810 1.00 0.00 H new ATOM 775 N GLY A 42 4.202 9.234 -8.967 1.00 0.00 N ATOM 776 CA GLY A 42 3.444 8.078 -9.376 1.00 0.00 C ATOM 777 C GLY A 42 2.480 7.645 -8.301 1.00 0.00 C ATOM 778 O GLY A 42 2.828 7.628 -7.116 1.00 0.00 O ATOM 0 H GLY A 42 4.181 9.426 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.895 8.306 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.124 7.259 -9.609 1.00 0.00 H new ATOM 782 N SER A 43 1.276 7.297 -8.706 1.00 0.00 N ATOM 783 CA SER A 43 0.241 6.916 -7.769 1.00 0.00 C ATOM 784 C SER A 43 -0.466 5.657 -8.244 1.00 0.00 C ATOM 785 O SER A 43 -0.482 5.355 -9.437 1.00 0.00 O ATOM 786 CB SER A 43 -0.759 8.061 -7.616 1.00 0.00 C ATOM 787 OG SER A 43 -0.106 9.259 -7.234 1.00 0.00 O ATOM 0 H SER A 43 0.990 7.270 -9.685 1.00 0.00 H new ATOM 0 HA SER A 43 0.696 6.708 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.287 8.215 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.508 7.797 -6.869 1.00 0.00 H new ATOM 0 HG SER A 43 -0.767 9.977 -7.144 1.00 0.00 H new ATOM 793 N ILE A 44 -1.048 4.936 -7.307 1.00 0.00 N ATOM 794 CA ILE A 44 -1.755 3.708 -7.605 1.00 0.00 C ATOM 795 C ILE A 44 -3.245 3.904 -7.375 1.00 0.00 C ATOM 796 O ILE A 44 -3.679 4.273 -6.282 1.00 0.00 O ATOM 797 CB ILE A 44 -1.249 2.539 -6.726 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.223 2.248 -7.028 1.00 0.00 C ATOM 799 CG2 ILE A 44 -2.103 1.298 -6.942 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.836 1.192 -6.132 1.00 0.00 C ATOM 0 H ILE A 44 -1.044 5.185 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.569 3.458 -8.649 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.334 2.828 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.314 1.928 -8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.794 3.171 -6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.732 0.487 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.137 1.517 -6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.053 1.000 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.880 1.042 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.778 1.518 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.292 0.255 -6.249 1.00 0.00 H new ATOM 812 N LYS A 45 -4.016 3.676 -8.419 1.00 0.00 N ATOM 813 CA LYS A 45 -5.460 3.791 -8.347 1.00 0.00 C ATOM 814 C LYS A 45 -6.050 2.540 -7.714 1.00 0.00 C ATOM 815 O LYS A 45 -6.011 1.466 -8.304 1.00 0.00 O ATOM 816 CB LYS A 45 -6.039 4.003 -9.750 1.00 0.00 C ATOM 817 CG LYS A 45 -7.534 3.752 -9.837 1.00 0.00 C ATOM 818 CD LYS A 45 -8.061 3.962 -11.244 1.00 0.00 C ATOM 819 CE LYS A 45 -7.875 5.396 -11.696 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.481 5.646 -13.031 1.00 0.00 N ATOM 0 H LYS A 45 -3.662 3.407 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.719 4.651 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.832 5.025 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.527 3.341 -10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.750 2.733 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.055 4.420 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.544 3.292 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.119 3.702 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.323 6.067 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.811 5.629 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.330 6.639 -13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.036 5.024 -13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.501 5.449 -12.991 1.00 0.00 H new ATOM 834 N MET A 46 -6.595 2.687 -6.513 1.00 0.00 N ATOM 835 CA MET A 46 -7.181 1.559 -5.796 1.00 0.00 C ATOM 836 C MET A 46 -8.391 1.009 -6.540 1.00 0.00 C ATOM 837 O MET A 46 -8.715 -0.164 -6.429 1.00 0.00 O ATOM 838 CB MET A 46 -7.579 1.963 -4.378 1.00 0.00 C ATOM 839 CG MET A 46 -6.391 2.230 -3.469 1.00 0.00 C ATOM 840 SD MET A 46 -5.279 0.821 -3.356 1.00 0.00 S ATOM 841 CE MET A 46 -6.386 -0.404 -2.669 1.00 0.00 C ATOM 0 H MET A 46 -6.644 3.575 -6.014 1.00 0.00 H new ATOM 0 HA MET A 46 -6.425 0.776 -5.737 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.200 2.858 -4.424 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.190 1.173 -3.942 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.840 3.094 -3.841 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.751 2.486 -2.472 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.916 -0.876 -1.806 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.314 0.077 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.604 -1.161 -3.423 1.00 0.00 H new ATOM 851 N ALA A 47 -9.039 1.866 -7.320 1.00 0.00 N ATOM 852 CA ALA A 47 -10.218 1.473 -8.090 1.00 0.00 C ATOM 853 C ALA A 47 -9.855 0.524 -9.232 1.00 0.00 C ATOM 854 O ALA A 47 -10.732 -0.069 -9.860 1.00 0.00 O ATOM 855 CB ALA A 47 -10.925 2.708 -8.631 1.00 0.00 C ATOM 0 H ALA A 47 -8.768 2.842 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.892 0.939 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.802 2.404 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.235 3.342 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.245 3.263 -9.277 1.00 0.00 H new ATOM 861 N VAL A 48 -8.566 0.397 -9.512 1.00 0.00 N ATOM 862 CA VAL A 48 -8.099 -0.494 -10.564 1.00 0.00 C ATOM 863 C VAL A 48 -7.059 -1.468 -10.004 1.00 0.00 C ATOM 864 O VAL A 48 -6.498 -2.297 -10.721 1.00 0.00 O ATOM 865 CB VAL A 48 -7.500 0.312 -11.737 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.152 0.898 -11.364 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.396 -0.534 -12.992 1.00 0.00 C ATOM 0 H VAL A 48 -7.824 0.900 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.950 -1.062 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.179 1.138 -11.950 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.753 1.460 -12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.268 1.563 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.464 0.093 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.971 0.063 -13.799 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.754 -1.394 -12.799 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.388 -0.880 -13.281 1.00 0.00 H new ATOM 877 N CYS A 49 -6.813 -1.360 -8.708 1.00 0.00 N ATOM 878 CA CYS A 49 -5.804 -2.171 -8.048 1.00 0.00 C ATOM 879 C CYS A 49 -6.416 -2.939 -6.889 1.00 0.00 C ATOM 880 O CYS A 49 -7.138 -2.375 -6.070 1.00 0.00 O ATOM 881 CB CYS A 49 -4.663 -1.284 -7.542 1.00 0.00 C ATOM 882 SG CYS A 49 -3.364 -2.173 -6.653 1.00 0.00 S ATOM 0 H CYS A 49 -7.303 -0.714 -8.089 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.406 -2.884 -8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.217 -0.767 -8.392 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.078 -0.519 -6.885 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.228 -1.563 -6.820 1.00 0.00 H new ATOM 888 N GLU A 50 -6.121 -4.223 -6.809 1.00 0.00 N ATOM 889 CA GLU A 50 -6.645 -5.036 -5.733 1.00 0.00 C ATOM 890 C GLU A 50 -5.702 -4.995 -4.544 1.00 0.00 C ATOM 891 O GLU A 50 -4.495 -5.192 -4.685 1.00 0.00 O ATOM 892 CB GLU A 50 -6.822 -6.493 -6.166 1.00 0.00 C ATOM 893 CG GLU A 50 -7.397 -6.680 -7.557 1.00 0.00 C ATOM 894 CD GLU A 50 -7.537 -8.146 -7.914 1.00 0.00 C ATOM 895 OE1 GLU A 50 -6.685 -8.954 -7.482 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.501 -8.502 -8.621 1.00 0.00 O ATOM 0 H GLU A 50 -5.526 -4.720 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.618 -4.629 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.854 -6.991 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.473 -6.993 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.372 -6.197 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.753 -6.188 -8.286 1.00 0.00 H new ATOM 903 N ILE A 51 -6.255 -4.714 -3.382 1.00 0.00 N ATOM 904 CA ILE A 51 -5.533 -4.881 -2.138 1.00 0.00 C ATOM 905 C ILE A 51 -5.958 -6.200 -1.521 1.00 0.00 C ATOM 906 O ILE A 51 -7.121 -6.392 -1.164 1.00 0.00 O ATOM 907 CB ILE A 51 -5.792 -3.704 -1.164 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.307 -4.012 0.262 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.268 -3.333 -1.147 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.804 -4.096 0.414 1.00 0.00 C ATOM 0 H ILE A 51 -7.208 -4.367 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.461 -4.887 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.215 -2.856 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.684 -3.241 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.745 -4.957 0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.427 -2.505 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.580 -3.036 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.855 -4.192 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.555 -4.317 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.417 -4.887 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.356 -3.145 0.128 1.00 0.00 H new ATOM 922 N LYS A 52 -5.025 -7.122 -1.425 1.00 0.00 N ATOM 923 CA LYS A 52 -5.360 -8.471 -1.007 1.00 0.00 C ATOM 924 C LYS A 52 -5.354 -8.547 0.512 1.00 0.00 C ATOM 925 O LYS A 52 -4.301 -8.465 1.147 1.00 0.00 O ATOM 926 CB LYS A 52 -4.383 -9.479 -1.619 1.00 0.00 C ATOM 927 CG LYS A 52 -4.048 -9.184 -3.078 1.00 0.00 C ATOM 928 CD LYS A 52 -5.269 -9.230 -3.996 1.00 0.00 C ATOM 929 CE LYS A 52 -5.574 -10.641 -4.464 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.639 -10.670 -5.505 1.00 0.00 N ATOM 0 H LYS A 52 -4.037 -6.968 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.359 -8.724 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.462 -9.483 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.810 -10.479 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.587 -8.199 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.311 -9.906 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.134 -8.828 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.097 -8.590 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.666 -11.094 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.885 -11.246 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.640 -11.598 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.564 -10.506 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.457 -9.926 -6.209 1.00 0.00 H new ATOM 944 N VAL A 53 -6.539 -8.688 1.089 1.00 0.00 N ATOM 945 CA VAL A 53 -6.699 -8.636 2.532 1.00 0.00 C ATOM 946 C VAL A 53 -7.389 -9.892 3.067 1.00 0.00 C ATOM 947 O VAL A 53 -8.545 -10.164 2.754 1.00 0.00 O ATOM 948 CB VAL A 53 -7.478 -7.357 2.950 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.902 -7.416 4.409 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.618 -6.123 2.708 1.00 0.00 C ATOM 0 H VAL A 53 -7.407 -8.840 0.575 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.704 -8.595 2.975 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.380 -7.298 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.444 -6.506 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.548 -8.280 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.019 -7.504 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.170 -5.231 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.704 -6.195 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.363 -6.059 1.650 1.00 0.00 H new ATOM 960 N HIS A 54 -6.642 -10.675 3.841 1.00 0.00 N ATOM 961 CA HIS A 54 -7.178 -11.855 4.519 1.00 0.00 C ATOM 962 C HIS A 54 -6.780 -11.848 5.992 1.00 0.00 C ATOM 963 O HIS A 54 -5.659 -11.472 6.342 1.00 0.00 O ATOM 964 CB HIS A 54 -6.675 -13.147 3.867 1.00 0.00 C ATOM 965 CG HIS A 54 -7.378 -13.512 2.595 1.00 0.00 C ATOM 966 ND1 HIS A 54 -6.715 -13.918 1.458 1.00 0.00 N ATOM 967 CD2 HIS A 54 -8.697 -13.565 2.296 1.00 0.00 C ATOM 968 CE1 HIS A 54 -7.595 -14.203 0.517 1.00 0.00 C ATOM 969 NE2 HIS A 54 -8.805 -14.002 1.000 1.00 0.00 N ATOM 0 H HIS A 54 -5.651 -10.511 4.016 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.264 -11.819 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.609 -13.046 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.787 -13.966 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.513 -13.310 2.956 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.363 -14.544 -0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -9.678 -14.147 0.493 1.00 0.00 H new ATOM 978 N SER A 55 -7.697 -12.266 6.847 1.00 0.00 N ATOM 979 CA SER A 55 -7.463 -12.300 8.282 1.00 0.00 C ATOM 980 C SER A 55 -6.850 -13.636 8.699 1.00 0.00 C ATOM 981 O SER A 55 -7.553 -14.642 8.805 1.00 0.00 O ATOM 982 CB SER A 55 -8.783 -12.073 9.021 1.00 0.00 C ATOM 983 OG SER A 55 -9.771 -12.988 8.574 1.00 0.00 O ATOM 0 H SER A 55 -8.623 -12.591 6.568 1.00 0.00 H new ATOM 0 HA SER A 55 -6.761 -11.508 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.630 -12.191 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.126 -11.051 8.858 1.00 0.00 H new ATOM 0 HG SER A 55 -9.368 -13.874 8.458 1.00 0.00 H new ATOM 989 N ALA A 56 -5.541 -13.639 8.925 1.00 0.00 N ATOM 990 CA ALA A 56 -4.836 -14.849 9.330 1.00 0.00 C ATOM 991 C ALA A 56 -3.480 -14.510 9.948 1.00 0.00 C ATOM 992 O ALA A 56 -3.302 -14.583 11.165 1.00 0.00 O ATOM 993 CB ALA A 56 -4.660 -15.784 8.141 1.00 0.00 C ATOM 0 H ALA A 56 -4.946 -12.815 8.834 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.436 -15.355 10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.132 -16.683 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.638 -16.059 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.084 -15.281 7.365 1.00 0.00 H new ATOM 999 N ASP A 57 -2.531 -14.121 9.105 1.00 0.00 N ATOM 1000 CA ASP A 57 -1.188 -13.778 9.566 1.00 0.00 C ATOM 1001 C ASP A 57 -1.132 -12.299 9.959 1.00 0.00 C ATOM 1002 O ASP A 57 -2.121 -11.579 9.800 1.00 0.00 O ATOM 1003 CB ASP A 57 -0.160 -14.093 8.473 1.00 0.00 C ATOM 1004 CG ASP A 57 1.259 -14.208 9.001 1.00 0.00 C ATOM 1005 OD1 ASP A 57 1.974 -13.189 9.034 1.00 0.00 O ATOM 1006 OD2 ASP A 57 1.669 -15.329 9.367 1.00 0.00 O ATOM 0 H ASP A 57 -2.665 -14.035 8.098 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.946 -14.376 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.435 -15.027 7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.196 -13.312 7.714 1.00 0.00 H new ATOM 1011 N ASN A 58 0.020 -11.847 10.442 1.00 0.00 N ATOM 1012 CA ASN A 58 0.152 -10.504 11.009 1.00 0.00 C ATOM 1013 C ASN A 58 0.049 -9.412 9.949 1.00 0.00 C ATOM 1014 O ASN A 58 -1.009 -8.827 9.757 1.00 0.00 O ATOM 1015 CB ASN A 58 1.484 -10.349 11.748 1.00 0.00 C ATOM 1016 CG ASN A 58 1.612 -11.253 12.953 1.00 0.00 C ATOM 1017 OD1 ASN A 58 2.080 -12.382 12.843 1.00 0.00 O ATOM 1018 ND2 ASN A 58 1.212 -10.756 14.110 1.00 0.00 N ATOM 0 H ASN A 58 0.882 -12.392 10.453 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.677 -10.387 11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.301 -10.559 11.057 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.595 -9.313 12.067 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.286 -11.317 14.959 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.829 -9.812 14.154 1.00 0.00 H new ATOM 1025 N THR A 59 1.161 -9.154 9.269 1.00 0.00 N ATOM 1026 CA THR A 59 1.289 -8.029 8.346 1.00 0.00 C ATOM 1027 C THR A 59 1.393 -8.513 6.894 1.00 0.00 C ATOM 1028 O THR A 59 2.488 -8.622 6.346 1.00 0.00 O ATOM 1029 CB THR A 59 2.546 -7.224 8.717 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.676 -8.099 8.851 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.334 -6.493 10.025 1.00 0.00 C ATOM 0 H THR A 59 2.005 -9.722 9.342 1.00 0.00 H new ATOM 0 HA THR A 59 0.401 -7.403 8.428 1.00 0.00 H new ATOM 0 HB THR A 59 2.735 -6.503 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.113 -7.940 9.714 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.232 -5.927 10.275 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.490 -5.810 9.927 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.127 -7.214 10.816 1.00 0.00 H new ATOM 1039 N ARG A 60 0.254 -8.818 6.275 1.00 0.00 N ATOM 1040 CA ARG A 60 0.253 -9.457 4.959 1.00 0.00 C ATOM 1041 C ARG A 60 -0.761 -8.810 4.008 1.00 0.00 C ATOM 1042 O ARG A 60 -1.965 -9.032 4.142 1.00 0.00 O ATOM 1043 CB ARG A 60 -0.089 -10.942 5.128 1.00 0.00 C ATOM 1044 CG ARG A 60 0.649 -11.617 6.276 1.00 0.00 C ATOM 1045 CD ARG A 60 2.125 -11.811 5.967 1.00 0.00 C ATOM 1046 NE ARG A 60 2.337 -12.718 4.840 1.00 0.00 N ATOM 1047 CZ ARG A 60 3.524 -13.221 4.500 1.00 0.00 C ATOM 1048 NH1 ARG A 60 4.608 -12.920 5.205 1.00 0.00 N ATOM 1049 NH2 ARG A 60 3.626 -14.032 3.456 1.00 0.00 N ATOM 0 H ARG A 60 -0.673 -8.635 6.659 1.00 0.00 H new ATOM 0 HA ARG A 60 1.244 -9.334 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.162 -11.042 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.143 -11.466 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.543 -11.015 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.191 -12.585 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.578 -10.845 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.631 -12.205 6.849 1.00 0.00 H new ATOM 0 HE ARG A 60 1.527 -12.982 4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.536 -12.301 6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.513 -13.308 4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.796 -14.271 2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.534 -14.417 3.196 1.00 0.00 H new ATOM 1063 N MET A 61 -0.288 -7.991 3.065 1.00 0.00 N ATOM 1064 CA MET A 61 -1.164 -7.426 2.030 1.00 0.00 C ATOM 1065 C MET A 61 -0.430 -7.333 0.689 1.00 0.00 C ATOM 1066 O MET A 61 0.766 -7.045 0.649 1.00 0.00 O ATOM 1067 CB MET A 61 -1.674 -6.028 2.425 1.00 0.00 C ATOM 1068 CG MET A 61 -2.021 -5.888 3.893 1.00 0.00 C ATOM 1069 SD MET A 61 -0.671 -5.195 4.868 1.00 0.00 S ATOM 1070 CE MET A 61 -0.916 -3.445 4.564 1.00 0.00 C ATOM 0 H MET A 61 0.689 -7.705 2.995 1.00 0.00 H new ATOM 0 HA MET A 61 -2.018 -8.096 1.932 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.913 -5.290 2.171 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.557 -5.794 1.830 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.900 -5.252 3.995 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.287 -6.866 4.293 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.332 -2.866 5.279 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.593 -3.203 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.972 -3.201 4.676 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.149 -7.582 -0.402 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.584 -7.452 -1.743 1.00 0.00 C ATOM 1082 C GLU A 62 -1.374 -6.428 -2.549 1.00 0.00 C ATOM 1083 O GLU A 62 -2.600 -6.376 -2.460 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.588 -8.802 -2.477 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.156 -8.706 -3.939 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.115 -10.053 -4.639 1.00 0.00 C ATOM 1087 OE1 GLU A 62 0.727 -10.895 -4.268 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -0.923 -10.280 -5.565 1.00 0.00 O ATOM 0 H GLU A 62 -2.126 -7.875 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 62 0.448 -7.116 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.076 -9.491 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.590 -9.228 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.842 -8.047 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.831 -8.247 -3.990 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.666 -5.598 -3.301 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.290 -4.649 -4.208 1.00 0.00 C ATOM 1097 C LEU A 63 -1.066 -5.115 -5.645 1.00 0.00 C ATOM 1098 O LEU A 63 0.077 -5.264 -6.091 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.685 -3.250 -4.016 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.261 -2.401 -2.871 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.643 -1.868 -3.221 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.319 -3.199 -1.577 1.00 0.00 C ATOM 0 H LEU A 63 0.353 -5.564 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.358 -4.597 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.387 -3.362 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.808 -2.695 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.593 -1.552 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.024 -1.272 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.578 -1.247 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.318 -2.703 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.730 -2.575 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.954 -4.074 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.314 -3.520 -1.302 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.148 -5.345 -6.364 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.064 -5.819 -7.737 1.00 0.00 C ATOM 1116 C ILE A 64 -2.869 -4.923 -8.683 1.00 0.00 C ATOM 1117 O ILE A 64 -4.091 -4.825 -8.588 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.514 -7.307 -7.837 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.979 -7.682 -9.253 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.597 -7.617 -6.819 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.862 -7.742 -10.268 1.00 0.00 C ATOM 0 H ILE A 64 -3.099 -5.212 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.021 -5.766 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.639 -7.917 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.476 -8.651 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.720 -6.956 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.893 -8.662 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.215 -7.434 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.461 -6.978 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.270 -8.013 -11.242 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.379 -6.767 -10.335 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.131 -8.489 -9.960 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.150 -4.275 -9.595 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.729 -3.380 -10.583 1.00 0.00 C ATOM 1135 C ILE A 65 -2.207 -3.767 -11.968 1.00 0.00 C ATOM 1136 O ILE A 65 -1.007 -3.694 -12.222 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.388 -1.895 -10.239 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.297 -0.995 -11.482 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -1.080 -1.816 -9.460 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.538 -0.955 -12.341 1.00 0.00 C ATOM 0 H ILE A 65 -1.136 -4.360 -9.667 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.815 -3.473 -10.577 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.212 -1.525 -9.629 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.065 0.020 -11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.461 -1.333 -12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.857 -0.775 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.174 -2.382 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.273 -2.235 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.371 -0.293 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.763 -1.959 -12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.377 -0.584 -11.752 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.105 -4.202 -12.870 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.728 -4.697 -14.202 1.00 0.00 C ATOM 1154 C PRO A 66 -1.858 -3.709 -14.972 1.00 0.00 C ATOM 1155 O PRO A 66 -2.287 -2.602 -15.300 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.070 -4.890 -14.906 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.048 -5.085 -13.802 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.567 -4.217 -12.676 1.00 0.00 C ATOM 0 HA PRO A 66 -2.130 -5.606 -14.139 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.327 -4.023 -15.515 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.048 -5.752 -15.573 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.053 -4.800 -14.114 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.093 -6.131 -13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.992 -3.214 -12.729 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.841 -4.628 -11.704 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.628 -4.117 -15.233 1.00 0.00 N ATOM 1167 CA GLY A 67 0.307 -3.276 -15.950 1.00 0.00 C ATOM 1168 C GLY A 67 1.588 -3.075 -15.171 1.00 0.00 C ATOM 1169 O GLY A 67 2.673 -3.419 -15.640 1.00 0.00 O ATOM 0 H GLY A 67 -0.256 -5.026 -14.958 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.535 -3.726 -16.916 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.153 -2.308 -16.150 1.00 0.00 H new ATOM 1173 N GLU A 68 1.461 -2.530 -13.972 1.00 0.00 N ATOM 1174 CA GLU A 68 2.617 -2.294 -13.119 1.00 0.00 C ATOM 1175 C GLU A 68 2.712 -3.397 -12.067 1.00 0.00 C ATOM 1176 O GLU A 68 3.628 -4.217 -12.112 1.00 0.00 O ATOM 1177 CB GLU A 68 2.507 -0.911 -12.477 1.00 0.00 C ATOM 1178 CG GLU A 68 2.264 0.182 -13.507 1.00 0.00 C ATOM 1179 CD GLU A 68 2.276 1.581 -12.924 1.00 0.00 C ATOM 1180 OE1 GLU A 68 3.374 2.123 -12.691 1.00 0.00 O ATOM 1181 OE2 GLU A 68 1.181 2.153 -12.732 1.00 0.00 O ATOM 0 H GLU A 68 0.570 -2.243 -13.567 1.00 0.00 H new ATOM 0 HA GLU A 68 3.530 -2.317 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.693 -0.912 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.423 -0.693 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.027 0.114 -14.283 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.302 0.007 -13.990 1.00 0.00 H new ATOM 1188 N GLN A 69 1.750 -3.396 -11.140 1.00 0.00 N ATOM 1189 CA GLN A 69 1.501 -4.502 -10.191 1.00 0.00 C ATOM 1190 C GLN A 69 2.749 -5.014 -9.457 1.00 0.00 C ATOM 1191 O GLN A 69 3.805 -4.381 -9.456 1.00 0.00 O ATOM 1192 CB GLN A 69 0.798 -5.665 -10.909 1.00 0.00 C ATOM 1193 CG GLN A 69 1.632 -6.356 -11.982 1.00 0.00 C ATOM 1194 CD GLN A 69 0.817 -7.282 -12.862 1.00 0.00 C ATOM 1195 OE1 GLN A 69 -0.368 -7.047 -13.109 1.00 0.00 O ATOM 1196 NE2 GLN A 69 1.447 -8.341 -13.342 1.00 0.00 N ATOM 0 H GLN A 69 1.106 -2.614 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 69 0.859 -4.082 -9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.503 -6.406 -10.166 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.117 -5.290 -11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.111 -5.600 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.428 -6.926 -11.504 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.428 -8.498 -13.113 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.951 -9.001 -13.942 1.00 0.00 H new ATOM 1205 N HIS A 70 2.574 -6.160 -8.788 1.00 0.00 N ATOM 1206 CA HIS A 70 3.643 -6.839 -8.057 1.00 0.00 C ATOM 1207 C HIS A 70 4.151 -5.971 -6.907 1.00 0.00 C ATOM 1208 O HIS A 70 5.351 -5.918 -6.625 1.00 0.00 O ATOM 1209 CB HIS A 70 4.790 -7.225 -9.002 1.00 0.00 C ATOM 1210 CG HIS A 70 5.715 -8.271 -8.443 1.00 0.00 C ATOM 1211 ND1 HIS A 70 6.885 -8.654 -9.060 1.00 0.00 N ATOM 1212 CD2 HIS A 70 5.618 -9.030 -7.326 1.00 0.00 C ATOM 1213 CE1 HIS A 70 7.468 -9.600 -8.347 1.00 0.00 C ATOM 1214 NE2 HIS A 70 6.720 -9.849 -7.287 1.00 0.00 N ATOM 0 H HIS A 70 1.677 -6.644 -8.740 1.00 0.00 H new ATOM 0 HA HIS A 70 3.234 -7.755 -7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.369 -7.590 -9.939 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.368 -6.332 -9.239 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.820 -8.997 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.400 -10.088 -8.590 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.926 -10.535 -6.561 1.00 0.00 H new ATOM 1223 N PHE A 71 3.231 -5.299 -6.236 1.00 0.00 N ATOM 1224 CA PHE A 71 3.581 -4.499 -5.075 1.00 0.00 C ATOM 1225 C PHE A 71 3.214 -5.248 -3.805 1.00 0.00 C ATOM 1226 O PHE A 71 2.038 -5.443 -3.507 1.00 0.00 O ATOM 1227 CB PHE A 71 2.865 -3.145 -5.098 1.00 0.00 C ATOM 1228 CG PHE A 71 3.214 -2.287 -6.280 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.414 -1.595 -6.321 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.337 -2.169 -7.346 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.732 -0.800 -7.403 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.652 -1.376 -8.433 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.851 -0.691 -8.461 1.00 0.00 C ATOM 0 H PHE A 71 2.239 -5.291 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 71 4.656 -4.318 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.788 -3.315 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.107 -2.602 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.108 -1.679 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.398 -2.702 -7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.669 -0.263 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.962 -1.292 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.099 -0.071 -9.309 1.00 0.00 H new ATOM 1243 N TYR A 72 4.219 -5.670 -3.061 1.00 0.00 N ATOM 1244 CA TYR A 72 3.988 -6.348 -1.800 1.00 0.00 C ATOM 1245 C TYR A 72 4.055 -5.348 -0.663 1.00 0.00 C ATOM 1246 O TYR A 72 4.881 -4.435 -0.676 1.00 0.00 O ATOM 1247 CB TYR A 72 5.015 -7.464 -1.580 1.00 0.00 C ATOM 1248 CG TYR A 72 4.848 -8.187 -0.258 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.847 -9.137 -0.081 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.687 -7.913 0.815 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.690 -9.789 1.129 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.534 -8.560 2.026 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.536 -9.497 2.176 1.00 0.00 C ATOM 1254 OH TYR A 72 4.381 -10.142 3.383 1.00 0.00 O ATOM 0 H TYR A 72 5.202 -5.555 -3.308 1.00 0.00 H new ATOM 0 HA TYR A 72 2.997 -6.801 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.935 -8.186 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.018 -7.039 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.183 -9.369 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.473 -7.181 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.908 -10.523 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.193 -8.332 2.850 1.00 0.00 H new ATOM 0 HH TYR A 72 5.059 -9.822 4.014 1.00 0.00 H new ATOM 1264 N MET A 73 3.174 -5.507 0.306 1.00 0.00 N ATOM 1265 CA MET A 73 3.181 -4.654 1.478 1.00 0.00 C ATOM 1266 C MET A 73 3.315 -5.481 2.742 1.00 0.00 C ATOM 1267 O MET A 73 2.673 -6.523 2.894 1.00 0.00 O ATOM 1268 CB MET A 73 1.900 -3.819 1.562 1.00 0.00 C ATOM 1269 CG MET A 73 1.918 -2.551 0.724 1.00 0.00 C ATOM 1270 SD MET A 73 0.444 -1.542 0.993 1.00 0.00 S ATOM 1271 CE MET A 73 0.944 0.006 0.242 1.00 0.00 C ATOM 0 H MET A 73 2.444 -6.219 0.304 1.00 0.00 H new ATOM 0 HA MET A 73 4.037 -3.985 1.387 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.058 -4.436 1.247 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.725 -3.549 2.603 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.806 -1.968 0.968 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.989 -2.815 -0.331 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.623 0.836 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.029 0.027 0.139 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.485 0.098 -0.742 1.00 0.00 H new ATOM 1281 N LYS A 74 4.157 -5.012 3.644 1.00 0.00 N ATOM 1282 CA LYS A 74 4.203 -5.542 4.987 1.00 0.00 C ATOM 1283 C LYS A 74 4.237 -4.383 5.954 1.00 0.00 C ATOM 1284 O LYS A 74 5.111 -3.523 5.871 1.00 0.00 O ATOM 1285 CB LYS A 74 5.417 -6.445 5.207 1.00 0.00 C ATOM 1286 CG LYS A 74 5.477 -7.015 6.614 1.00 0.00 C ATOM 1287 CD LYS A 74 6.787 -7.731 6.891 1.00 0.00 C ATOM 1288 CE LYS A 74 6.851 -8.237 8.327 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.629 -7.148 9.323 1.00 0.00 N ATOM 0 H LYS A 74 4.822 -4.259 3.465 1.00 0.00 H new ATOM 0 HA LYS A 74 3.317 -6.156 5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.390 -7.264 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.327 -5.878 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.347 -6.209 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.649 -7.709 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.898 -8.569 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.620 -7.053 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.101 -9.015 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.824 -8.696 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.766 -7.523 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.307 -6.378 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.660 -6.783 9.228 1.00 0.00 H new ATOM 1303 N ALA A 75 3.262 -4.334 6.831 1.00 0.00 N ATOM 1304 CA ALA A 75 3.199 -3.290 7.824 1.00 0.00 C ATOM 1305 C ALA A 75 4.146 -3.590 8.983 1.00 0.00 C ATOM 1306 O ALA A 75 4.768 -4.655 9.022 1.00 0.00 O ATOM 1307 CB ALA A 75 1.771 -3.136 8.310 1.00 0.00 C ATOM 0 H ALA A 75 2.499 -5.009 6.876 1.00 0.00 H new ATOM 0 HA ALA A 75 3.518 -2.350 7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.725 -2.347 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.127 -2.876 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.433 -4.074 8.750 1.00 0.00 H new ATOM 1313 N VAL A 76 4.266 -2.655 9.914 1.00 0.00 N ATOM 1314 CA VAL A 76 5.113 -2.851 11.084 1.00 0.00 C ATOM 1315 C VAL A 76 4.541 -3.962 11.960 1.00 0.00 C ATOM 1316 O VAL A 76 5.136 -5.033 12.105 1.00 0.00 O ATOM 1317 CB VAL A 76 5.241 -1.553 11.912 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.205 -1.740 13.074 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.689 -0.398 11.032 1.00 0.00 C ATOM 0 H VAL A 76 3.789 -1.754 9.883 1.00 0.00 H new ATOM 0 HA VAL A 76 6.106 -3.132 10.734 1.00 0.00 H new ATOM 0 HB VAL A 76 4.258 -1.317 12.320 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.277 -0.811 13.640 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.841 -2.535 13.725 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.189 -2.008 12.691 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.773 0.507 11.634 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.658 -0.631 10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.958 -0.240 10.239 1.00 0.00 H new ATOM 1329 N ASN A 77 3.362 -3.708 12.507 1.00 0.00 N ATOM 1330 CA ASN A 77 2.674 -4.681 13.341 1.00 0.00 C ATOM 1331 C ASN A 77 1.353 -5.051 12.695 1.00 0.00 C ATOM 1332 O ASN A 77 0.886 -4.331 11.810 1.00 0.00 O ATOM 1333 CB ASN A 77 2.406 -4.128 14.739 1.00 0.00 C ATOM 1334 CG ASN A 77 3.661 -3.815 15.524 1.00 0.00 C ATOM 1335 OD1 ASN A 77 4.683 -4.488 15.395 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.583 -2.788 16.354 1.00 0.00 N ATOM 0 H ASN A 77 2.859 -2.829 12.387 1.00 0.00 H new ATOM 0 HA ASN A 77 3.314 -5.559 13.435 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.808 -3.221 14.652 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.810 -4.850 15.297 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.391 -2.526 16.919 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.715 -2.258 16.429 1.00 0.00 H new ATOM 1343 N ALA A 78 0.759 -6.163 13.107 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.557 -6.552 12.603 1.00 0.00 C ATOM 1345 C ALA A 78 -1.547 -5.404 12.798 1.00 0.00 C ATOM 1346 O ALA A 78 -2.373 -5.123 11.929 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.052 -7.797 13.320 1.00 0.00 C ATOM 0 H ALA A 78 1.162 -6.810 13.785 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.474 -6.775 11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.033 -8.074 12.933 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.352 -8.616 13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.127 -7.596 14.389 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.427 -4.730 13.940 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.235 -3.561 14.249 1.00 0.00 C ATOM 1355 C ALA A 79 -2.008 -2.447 13.236 1.00 0.00 C ATOM 1356 O ALA A 79 -2.952 -1.818 12.761 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.882 -3.066 15.631 1.00 0.00 C ATOM 0 H ALA A 79 -0.766 -4.982 14.675 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.286 -3.847 14.207 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.485 -2.189 15.868 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.080 -3.851 16.360 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.826 -2.800 15.663 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.745 -2.213 12.904 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.392 -1.185 11.941 1.00 0.00 C ATOM 1365 C GLU A 80 -0.896 -1.566 10.555 1.00 0.00 C ATOM 1366 O GLU A 80 -1.274 -0.710 9.756 1.00 0.00 O ATOM 1367 CB GLU A 80 1.113 -0.966 11.927 1.00 0.00 C ATOM 1368 CG GLU A 80 1.630 -0.406 13.237 1.00 0.00 C ATOM 1369 CD GLU A 80 0.906 0.858 13.658 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.148 1.922 13.050 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.089 0.787 14.602 1.00 0.00 O ATOM 0 H GLU A 80 0.050 -2.723 13.289 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.869 -0.250 12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.613 -1.912 11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.370 -0.283 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.522 -1.159 14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.695 -0.196 13.143 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.901 -2.867 10.287 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.486 -3.397 9.063 1.00 0.00 C ATOM 1380 C ARG A 81 -2.977 -3.102 9.024 1.00 0.00 C ATOM 1381 O ARG A 81 -3.508 -2.729 7.985 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.267 -4.907 8.952 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.040 -5.523 7.802 1.00 0.00 C ATOM 1384 CD ARG A 81 -1.958 -7.025 7.833 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.782 -7.649 6.808 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.388 -8.820 6.965 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -3.216 -9.516 8.084 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.145 -9.303 5.992 1.00 0.00 N ATOM 0 H ARG A 81 -0.505 -3.576 10.904 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.992 -2.911 8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.204 -5.108 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.568 -5.384 9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.083 -5.212 7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.644 -5.154 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.921 -7.332 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.271 -7.383 8.814 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.900 -7.160 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.617 -9.151 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.683 -10.415 8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.261 -8.776 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.612 -10.202 6.108 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.641 -3.271 10.166 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.071 -3.004 10.274 1.00 0.00 C ATOM 1404 C GLN A 82 -5.367 -1.557 9.896 1.00 0.00 C ATOM 1405 O GLN A 82 -6.394 -1.267 9.296 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.569 -3.293 11.698 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.056 -3.039 11.901 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.934 -3.918 11.029 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.571 -5.044 10.686 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -9.105 -3.411 10.672 1.00 0.00 N ATOM 0 H GLN A 82 -3.208 -3.593 11.032 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.598 -3.663 9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.352 -4.333 11.943 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.007 -2.677 12.400 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.308 -3.208 12.948 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.273 -1.992 11.686 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.369 -2.474 10.977 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.742 -3.958 10.093 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.448 -0.660 10.230 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.586 0.746 9.865 1.00 0.00 C ATOM 1421 C ARG A 83 -4.607 0.914 8.344 1.00 0.00 C ATOM 1422 O ARG A 83 -5.438 1.650 7.798 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.452 1.567 10.481 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.601 1.783 11.978 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.404 2.518 12.563 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.711 3.089 13.874 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.837 3.741 14.638 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -0.545 3.772 14.324 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -2.254 4.318 15.756 1.00 0.00 N ATOM 0 H ARG A 83 -3.600 -0.880 10.752 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.534 1.112 10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.504 1.065 10.287 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.406 2.537 9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.509 2.353 12.175 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.715 0.820 12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.563 1.831 12.653 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.096 3.312 11.883 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.661 2.980 14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.212 3.292 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.113 4.276 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.236 4.260 16.024 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.592 4.820 16.348 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.712 0.210 7.659 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.708 0.199 6.199 1.00 0.00 C ATOM 1445 C TRP A 84 -4.942 -0.515 5.678 1.00 0.00 C ATOM 1446 O TRP A 84 -5.529 -0.116 4.685 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.442 -0.465 5.653 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.225 0.383 5.825 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.251 0.247 6.771 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.857 1.511 5.027 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.689 1.236 6.622 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.340 2.022 5.556 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.426 2.144 3.916 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.976 3.135 5.016 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.792 3.247 3.381 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.397 3.732 3.932 1.00 0.00 C ATOM 0 H TRP A 84 -2.982 -0.359 8.089 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.721 1.233 5.853 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.290 -1.418 6.159 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.580 -0.685 4.594 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.224 -0.525 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.513 1.365 7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.345 1.776 3.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.895 3.514 5.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.222 3.743 2.523 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.869 4.598 3.491 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.338 -1.561 6.380 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.521 -2.335 6.033 1.00 0.00 C ATOM 1469 C LEU A 85 -7.791 -1.496 6.135 1.00 0.00 C ATOM 1470 O LEU A 85 -8.746 -1.729 5.410 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.621 -3.581 6.910 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.074 -4.866 6.288 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.725 -4.622 5.626 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.952 -5.936 7.358 1.00 0.00 C ATOM 0 H LEU A 85 -4.849 -1.900 7.209 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.420 -2.649 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.088 -3.393 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.668 -3.740 7.169 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.767 -5.203 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.359 -5.552 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.835 -3.874 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.014 -4.265 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.562 -6.852 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.273 -5.594 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.933 -6.132 7.790 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.815 -0.549 7.058 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.937 0.365 7.170 1.00 0.00 C ATOM 1488 C VAL A 86 -9.064 1.221 5.909 1.00 0.00 C ATOM 1489 O VAL A 86 -10.136 1.296 5.312 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.776 1.279 8.402 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.797 2.409 8.385 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.895 0.467 9.682 1.00 0.00 C ATOM 0 H VAL A 86 -7.071 -0.394 7.739 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.842 -0.231 7.287 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.783 1.727 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.660 3.037 9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.660 3.010 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.803 1.990 8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.779 1.126 10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.874 -0.011 9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.117 -0.296 9.702 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.963 1.847 5.498 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.984 2.718 4.324 1.00 0.00 C ATOM 1504 C ALA A 87 -8.084 1.920 3.021 1.00 0.00 C ATOM 1505 O ALA A 87 -8.914 2.206 2.162 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.739 3.598 4.299 1.00 0.00 C ATOM 0 H ALA A 87 -7.054 1.769 5.955 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.873 3.345 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.766 4.242 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.710 4.213 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.850 2.969 4.260 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.218 0.928 2.881 1.00 0.00 N ATOM 1513 CA LEU A 88 -7.149 0.107 1.677 1.00 0.00 C ATOM 1514 C LEU A 88 -8.313 -0.885 1.594 1.00 0.00 C ATOM 1515 O LEU A 88 -8.881 -1.109 0.527 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.817 -0.643 1.643 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.570 0.248 1.685 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.343 -0.575 2.037 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.371 0.952 0.349 1.00 0.00 C ATOM 0 H LEU A 88 -6.542 0.667 3.599 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.223 0.770 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.783 -1.330 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.782 -1.249 0.738 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.713 1.005 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.466 0.072 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.483 -1.036 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.199 -1.352 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.481 1.580 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.248 0.209 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.241 1.572 0.131 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.658 -1.476 2.730 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.635 -2.552 2.760 1.00 0.00 C ATOM 1533 C GLY A 89 -11.032 -2.099 2.400 1.00 0.00 C ATOM 1534 O GLY A 89 -11.774 -2.836 1.748 1.00 0.00 O ATOM 0 H GLY A 89 -8.275 -1.227 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.325 -3.335 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.649 -2.994 3.756 1.00 0.00 H new ATOM 1538 N SER A 90 -11.395 -0.888 2.812 1.00 0.00 N ATOM 1539 CA SER A 90 -12.688 -0.324 2.464 1.00 0.00 C ATOM 1540 C SER A 90 -12.798 -0.158 0.953 1.00 0.00 C ATOM 1541 O SER A 90 -13.891 -0.182 0.388 1.00 0.00 O ATOM 1542 CB SER A 90 -12.873 1.014 3.171 1.00 0.00 C ATOM 1543 OG SER A 90 -11.765 1.864 2.945 1.00 0.00 O ATOM 0 H SER A 90 -10.810 -0.281 3.387 1.00 0.00 H new ATOM 0 HA SER A 90 -13.477 -1.002 2.790 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.784 1.495 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.998 0.850 4.241 1.00 0.00 H new ATOM 0 HG SER A 90 -11.119 1.760 3.674 1.00 0.00 H new ATOM 1549 N SER A 91 -11.650 0.002 0.307 1.00 0.00 N ATOM 1550 CA SER A 91 -11.595 0.081 -1.135 1.00 0.00 C ATOM 1551 C SER A 91 -11.929 -1.277 -1.747 1.00 0.00 C ATOM 1552 O SER A 91 -12.748 -1.359 -2.652 1.00 0.00 O ATOM 1553 CB SER A 91 -10.216 0.560 -1.595 1.00 0.00 C ATOM 1554 OG SER A 91 -10.180 0.761 -2.996 1.00 0.00 O ATOM 0 H SER A 91 -10.743 0.079 0.768 1.00 0.00 H new ATOM 0 HA SER A 91 -12.335 0.806 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.964 1.490 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.461 -0.173 -1.312 1.00 0.00 H new ATOM 0 HG SER A 91 -10.039 1.712 -3.187 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.305 -2.348 -1.243 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.550 -3.678 -1.761 1.00 0.00 C ATOM 1562 C LYS A 92 -13.012 -4.069 -1.590 1.00 0.00 C ATOM 1563 O LYS A 92 -13.610 -4.688 -2.474 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.686 -4.674 -1.020 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.207 -5.815 -1.886 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.396 -7.162 -1.203 1.00 0.00 C ATOM 1567 CE LYS A 92 -11.874 -7.497 -1.064 1.00 0.00 C ATOM 1568 NZ LYS A 92 -12.103 -8.835 -0.459 1.00 0.00 N ATOM 0 H LYS A 92 -10.630 -2.309 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.307 -3.681 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.822 -4.156 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.250 -5.078 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.751 -5.807 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.153 -5.673 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.895 -7.940 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.929 -7.144 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.359 -6.737 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.345 -7.461 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.125 -9.013 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.665 -9.565 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.679 -8.864 0.490 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.566 -3.724 -0.434 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.935 -4.059 -0.097 1.00 0.00 C ATOM 1584 C ALA A 93 -15.924 -3.225 -0.909 1.00 0.00 C ATOM 1585 O ALA A 93 -16.134 -2.043 -0.629 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.155 -3.873 1.398 1.00 0.00 C ATOM 0 H ALA A 93 -13.075 -3.204 0.293 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.112 -5.104 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.185 -4.126 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.477 -4.525 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.960 -2.835 1.668 1.00 0.00 H new ATOM 1592 N SER A 94 -16.510 -3.862 -1.918 1.00 0.00 N ATOM 1593 CA SER A 94 -17.484 -3.226 -2.801 1.00 0.00 C ATOM 1594 C SER A 94 -16.857 -2.076 -3.590 1.00 0.00 C ATOM 1595 O SER A 94 -17.106 -0.898 -3.325 1.00 0.00 O ATOM 1596 CB SER A 94 -18.708 -2.754 -2.007 1.00 0.00 C ATOM 1597 OG SER A 94 -19.386 -3.858 -1.420 1.00 0.00 O ATOM 0 H SER A 94 -16.322 -4.838 -2.148 1.00 0.00 H new ATOM 0 HA SER A 94 -17.816 -3.971 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.396 -2.058 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.387 -2.213 -2.665 1.00 0.00 H new ATOM 0 HG SER A 94 -20.162 -3.535 -0.917 1.00 0.00 H new ATOM 1603 N LEU A 95 -16.032 -2.438 -4.559 1.00 0.00 N ATOM 1604 CA LEU A 95 -15.402 -1.476 -5.447 1.00 0.00 C ATOM 1605 C LEU A 95 -15.904 -1.707 -6.871 1.00 0.00 C ATOM 1606 O LEU A 95 -16.949 -2.334 -7.069 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.883 -1.645 -5.371 1.00 0.00 C ATOM 1608 CG LEU A 95 -13.039 -0.440 -5.799 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -13.434 0.809 -5.024 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -11.565 -0.748 -5.596 1.00 0.00 C ATOM 0 H LEU A 95 -15.780 -3.408 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 95 -15.656 -0.459 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.619 -1.899 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.603 -2.496 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 95 -13.222 -0.247 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.819 1.648 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -14.484 1.036 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -13.283 0.639 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.968 0.111 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.380 -0.963 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.288 -1.614 -6.197 1.00 0.00 H new ATOM 1622 N THR A 96 -15.173 -1.201 -7.848 1.00 0.00 N ATOM 1623 CA THR A 96 -15.501 -1.400 -9.246 1.00 0.00 C ATOM 1624 C THR A 96 -15.368 -2.865 -9.668 1.00 0.00 C ATOM 1625 O THR A 96 -15.018 -3.735 -8.865 1.00 0.00 O ATOM 1626 CB THR A 96 -14.598 -0.513 -10.116 1.00 0.00 C ATOM 1627 OG1 THR A 96 -13.423 -0.161 -9.368 1.00 0.00 O ATOM 1628 CG2 THR A 96 -15.329 0.752 -10.544 1.00 0.00 C ATOM 0 H THR A 96 -14.335 -0.640 -7.693 1.00 0.00 H new ATOM 0 HA THR A 96 -16.545 -1.119 -9.387 1.00 0.00 H new ATOM 0 HB THR A 96 -14.320 -1.067 -11.012 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.629 -0.287 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.669 1.363 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.215 0.483 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.628 1.316 -9.661 1.00 0.00 H new ATOM 1636 N ASP A 97 -15.673 -3.126 -10.928 1.00 0.00 N ATOM 1637 CA ASP A 97 -15.620 -4.472 -11.483 1.00 0.00 C ATOM 1638 C ASP A 97 -14.209 -5.050 -11.480 1.00 0.00 C ATOM 1639 O ASP A 97 -13.241 -4.370 -11.141 1.00 0.00 O ATOM 1640 CB ASP A 97 -16.180 -4.481 -12.907 1.00 0.00 C ATOM 1641 CG ASP A 97 -17.692 -4.409 -12.929 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -18.237 -3.287 -12.925 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -18.335 -5.483 -12.938 1.00 0.00 O ATOM 0 H ASP A 97 -15.964 -2.413 -11.596 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.233 -5.104 -10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.770 -3.637 -13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.854 -5.387 -13.418 1.00 0.00 H new ATOM 1648 N THR A 98 -14.124 -6.319 -11.874 1.00 0.00 N ATOM 1649 CA THR A 98 -12.872 -7.079 -11.930 1.00 0.00 C ATOM 1650 C THR A 98 -12.110 -7.038 -10.608 1.00 0.00 C ATOM 1651 O THR A 98 -11.090 -6.361 -10.477 1.00 0.00 O ATOM 1652 CB THR A 98 -11.948 -6.648 -13.104 1.00 0.00 C ATOM 1653 OG1 THR A 98 -11.814 -5.224 -13.170 1.00 0.00 O ATOM 1654 CG2 THR A 98 -12.484 -7.168 -14.428 1.00 0.00 C ATOM 0 H THR A 98 -14.937 -6.860 -12.169 1.00 0.00 H new ATOM 0 HA THR A 98 -13.172 -8.110 -12.117 1.00 0.00 H new ATOM 0 HB THR A 98 -10.965 -7.080 -12.917 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.958 -4.840 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.823 -6.855 -15.236 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.532 -8.257 -14.399 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.482 -6.766 -14.600 1.00 0.00 H new ATOM 1662 N ARG A 99 -12.625 -7.774 -9.630 1.00 0.00 N ATOM 1663 CA ARG A 99 -11.975 -7.907 -8.332 1.00 0.00 C ATOM 1664 C ARG A 99 -11.836 -9.379 -7.957 1.00 0.00 C ATOM 1665 O ARG A 99 -12.787 -10.155 -8.099 1.00 0.00 O ATOM 1666 CB ARG A 99 -12.766 -7.175 -7.248 1.00 0.00 C ATOM 1667 CG ARG A 99 -12.690 -5.661 -7.333 1.00 0.00 C ATOM 1668 CD ARG A 99 -13.559 -5.008 -6.267 1.00 0.00 C ATOM 1669 NE ARG A 99 -14.984 -5.262 -6.492 1.00 0.00 N ATOM 1670 CZ ARG A 99 -15.833 -5.684 -5.553 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -15.422 -5.850 -4.302 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -17.100 -5.918 -5.864 1.00 0.00 N ATOM 0 H ARG A 99 -13.499 -8.292 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.984 -7.458 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.811 -7.479 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.400 -7.491 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.656 -5.338 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.013 -5.332 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.274 -5.385 -5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.379 -3.933 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.352 -5.106 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.452 -5.655 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.076 -6.173 -3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.425 -5.775 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.750 -6.241 -5.147 1.00 0.00 H new ATOM 1686 N THR A 100 -10.653 -9.756 -7.493 1.00 0.00 N ATOM 1687 CA THR A 100 -10.388 -11.125 -7.085 1.00 0.00 C ATOM 1688 C THR A 100 -10.316 -11.237 -5.560 1.00 0.00 C ATOM 1689 O THR A 100 -9.235 -10.955 -4.992 1.00 0.00 O ATOM 1690 CB THR A 100 -9.061 -11.620 -7.683 1.00 0.00 C ATOM 1691 OG1 THR A 100 -8.923 -11.145 -9.029 1.00 0.00 O ATOM 1692 CG2 THR A 100 -8.991 -13.139 -7.668 1.00 0.00 C ATOM 1693 OXT THR A 100 -11.332 -11.616 -4.940 1.00 0.00 O ATOM 0 H THR A 100 -9.857 -9.126 -7.390 1.00 0.00 H new ATOM 0 HA THR A 100 -11.208 -11.742 -7.453 1.00 0.00 H new ATOM 0 HB THR A 100 -8.246 -11.229 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.608 -10.217 -9.018 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.043 -13.464 -8.096 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.067 -13.497 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.813 -13.547 -8.256 1.00 0.00 H new TER 1701 THR A 100