USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 911 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 97 LYS NZ :NH3+ -148:sc= -0.17 (180deg=-1.01) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc=-0.00653 USER MOD Set 2.1: A 75 HIS : no HD1:sc=-0.00348 X(o=-0.0061,f=-0.027) USER MOD Set 2.2: A 79 THR OG1 : rot -110:sc=-0.00258 USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.0767 (180deg=-0.105) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 44:sc= 0.027 USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.425 F(o=-1.7,f=-0.42) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 10 THR OG1 : rot -130:sc= -1.02 USER MOD Single : A 11 MET CE :methyl -117:sc= -0.514 (180deg=-1.34) USER MOD Single : A 23 GLN : amide:sc=-0.00256 K(o=-0.0026,f=-0.71) USER MOD Single : A 25 CYS SG : rot 76:sc= -1.44 USER MOD Single : A 27 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.24 K(o=-0.24,f=-2!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.584 F(o=-1.9,f=-0.58) USER MOD Single : A 39 THR OG1 : rot 83:sc= 0.891 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.7) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc=0.000537 (180deg=-0.0126) USER MOD Single : A 56 GLN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 137:sc= 0.00315 USER MOD Single : A 63 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.0039) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0101 F(o=-2.4!,f=-0.01) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS :FLIP no HD1:sc=-0.000687 F(o=-0.64,f=-0.00069) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.986 23.477 1.008 1.00 14.04 N ATOM 2 CA GLY A 1 -3.055 22.575 2.191 1.00 13.85 C ATOM 3 C GLY A 1 -1.948 22.843 3.190 1.00 13.29 C ATOM 4 O GLY A 1 -1.991 22.348 4.317 1.00 13.45 O ATOM 0 H1 GLY A 1 -3.811 23.312 0.397 1.00 14.04 H new ATOM 0 H2 GLY A 1 -2.984 24.467 1.326 1.00 14.04 H new ATOM 0 H3 GLY A 1 -2.115 23.283 0.474 1.00 14.04 H new ATOM 0 HA2 GLY A 1 -4.020 22.698 2.682 1.00 13.85 H new ATOM 0 HA3 GLY A 1 -2.996 21.539 1.858 1.00 13.85 H new ATOM 10 N SER A 2 -0.955 23.628 2.772 1.00 12.81 N ATOM 11 CA SER A 2 0.180 23.970 3.628 1.00 12.44 C ATOM 12 C SER A 2 1.006 22.733 3.967 1.00 11.66 C ATOM 13 O SER A 2 0.485 21.753 4.500 1.00 11.62 O ATOM 14 CB SER A 2 -0.298 24.651 4.914 1.00 13.00 C ATOM 15 OG SER A 2 0.339 25.902 5.096 1.00 13.39 O ATOM 0 H SER A 2 -0.914 24.041 1.840 1.00 12.81 H new ATOM 0 HA SER A 2 0.813 24.665 3.076 1.00 12.44 H new ATOM 0 HB2 SER A 2 -1.378 24.792 4.875 1.00 13.00 H new ATOM 0 HB3 SER A 2 -0.092 24.007 5.769 1.00 13.00 H new ATOM 0 HG SER A 2 0.015 26.317 5.923 1.00 13.39 H new ATOM 21 N HIS A 3 2.299 22.790 3.653 1.00 11.24 N ATOM 22 CA HIS A 3 3.210 21.680 3.920 1.00 10.68 C ATOM 23 C HIS A 3 2.789 20.428 3.156 1.00 9.83 C ATOM 24 O HIS A 3 1.823 19.758 3.522 1.00 9.74 O ATOM 25 CB HIS A 3 3.267 21.383 5.421 1.00 11.22 C ATOM 26 CG HIS A 3 4.565 20.780 5.861 1.00 11.78 C ATOM 27 ND1 HIS A 3 5.559 21.504 6.486 1.00 12.09 N ATOM 28 CD2 HIS A 3 5.031 19.511 5.764 1.00 12.30 C ATOM 29 CE1 HIS A 3 6.580 20.709 6.752 1.00 12.74 C ATOM 30 NE2 HIS A 3 6.284 19.494 6.325 1.00 12.87 N ATOM 0 H HIS A 3 2.740 23.597 3.212 1.00 11.24 H new ATOM 0 HA HIS A 3 4.203 21.973 3.578 1.00 10.68 H new ATOM 0 HB2 HIS A 3 3.099 22.308 5.973 1.00 11.22 H new ATOM 0 HB3 HIS A 3 2.454 20.705 5.680 1.00 11.22 H new ATOM 0 HD1 HIS A 3 5.513 22.498 6.708 1.00 12.09 H new ATOM 0 HD2 HIS A 3 4.513 18.670 5.327 1.00 12.30 H new ATOM 0 HE1 HIS A 3 7.500 21.002 7.236 1.00 12.74 H new ATOM 39 N MET A 4 3.523 20.116 2.092 1.00 9.43 N ATOM 40 CA MET A 4 3.227 18.944 1.274 1.00 8.83 C ATOM 41 C MET A 4 3.988 17.722 1.778 1.00 8.04 C ATOM 42 O MET A 4 3.400 16.807 2.355 1.00 8.16 O ATOM 43 CB MET A 4 3.582 19.212 -0.189 1.00 9.24 C ATOM 44 CG MET A 4 2.968 20.488 -0.742 1.00 9.89 C ATOM 45 SD MET A 4 3.829 21.094 -2.206 1.00 10.81 S ATOM 46 CE MET A 4 2.946 22.622 -2.509 1.00 11.46 C ATOM 0 H MET A 4 4.327 20.658 1.776 1.00 9.43 H new ATOM 0 HA MET A 4 2.159 18.741 1.349 1.00 8.83 H new ATOM 0 HB2 MET A 4 4.666 19.269 -0.286 1.00 9.24 H new ATOM 0 HB3 MET A 4 3.252 18.368 -0.795 1.00 9.24 H new ATOM 0 HG2 MET A 4 1.922 20.306 -0.989 1.00 9.89 H new ATOM 0 HG3 MET A 4 2.984 21.258 0.029 1.00 9.89 H new ATOM 0 HE1 MET A 4 3.363 23.116 -3.387 1.00 11.46 H new ATOM 0 HE2 MET A 4 1.892 22.405 -2.682 1.00 11.46 H new ATOM 0 HE3 MET A 4 3.044 23.277 -1.643 1.00 11.46 H new ATOM 56 N SER A 5 5.299 17.712 1.554 1.00 7.48 N ATOM 57 CA SER A 5 6.141 16.602 1.983 1.00 6.96 C ATOM 58 C SER A 5 7.302 17.097 2.841 1.00 5.97 C ATOM 59 O SER A 5 8.146 17.862 2.377 1.00 5.85 O ATOM 60 CB SER A 5 6.676 15.843 0.767 1.00 7.28 C ATOM 61 OG SER A 5 7.105 16.738 -0.244 1.00 7.75 O ATOM 0 H SER A 5 5.801 18.461 1.077 1.00 7.48 H new ATOM 0 HA SER A 5 5.532 15.928 2.585 1.00 6.96 H new ATOM 0 HB2 SER A 5 7.507 15.205 1.069 1.00 7.28 H new ATOM 0 HB3 SER A 5 5.899 15.189 0.372 1.00 7.28 H new ATOM 0 HG SER A 5 7.613 17.471 0.162 1.00 7.75 H new ATOM 67 N HIS A 6 7.333 16.653 4.094 1.00 5.62 N ATOM 68 CA HIS A 6 8.392 17.051 5.021 1.00 5.03 C ATOM 69 C HIS A 6 9.761 16.618 4.506 1.00 4.34 C ATOM 70 O HIS A 6 10.550 17.444 4.046 1.00 4.70 O ATOM 71 CB HIS A 6 8.147 16.462 6.416 1.00 5.60 C ATOM 72 CG HIS A 6 7.193 15.306 6.437 1.00 6.21 C ATOM 73 ND1 HIS A 6 7.326 14.036 5.983 1.00 6.80 N flip ATOM 74 CD2 HIS A 6 5.925 15.386 6.973 1.00 6.70 C flip ATOM 75 CE1 HIS A 6 6.150 13.382 6.251 1.00 7.53 C flip ATOM 76 NE2 HIS A 6 5.321 14.218 6.850 1.00 7.49 N flip ATOM 0 H HIS A 6 6.640 16.019 4.492 1.00 5.62 H new ATOM 0 HA HIS A 6 8.376 18.139 5.093 1.00 5.03 H new ATOM 0 HB2 HIS A 6 9.100 16.139 6.834 1.00 5.60 H new ATOM 0 HB3 HIS A 6 7.763 17.247 7.067 1.00 5.60 H new ATOM 0 HD2 HIS A 6 5.493 16.267 7.424 1.00 6.70 H new ATOM 0 HE1 HIS A 6 5.937 12.351 6.011 1.00 7.53 H new ATOM 0 HE2 HIS A 6 4.376 13.999 7.164 1.00 7.49 H new ATOM 85 N LEU A 7 10.038 15.321 4.588 1.00 3.79 N ATOM 86 CA LEU A 7 11.314 14.781 4.132 1.00 3.54 C ATOM 87 C LEU A 7 11.131 13.396 3.519 1.00 3.05 C ATOM 88 O LEU A 7 10.065 12.792 3.639 1.00 3.39 O ATOM 89 CB LEU A 7 12.312 14.714 5.293 1.00 4.07 C ATOM 90 CG LEU A 7 11.687 14.639 6.688 1.00 4.94 C ATOM 91 CD1 LEU A 7 12.420 13.620 7.547 1.00 5.66 C ATOM 92 CD2 LEU A 7 11.701 16.007 7.353 1.00 5.67 C ATOM 0 H LEU A 7 9.396 14.624 4.966 1.00 3.79 H new ATOM 0 HA LEU A 7 11.708 15.448 3.365 1.00 3.54 H new ATOM 0 HB2 LEU A 7 12.951 13.842 5.152 1.00 4.07 H new ATOM 0 HB3 LEU A 7 12.956 15.592 5.248 1.00 4.07 H new ATOM 0 HG LEU A 7 10.651 14.318 6.584 1.00 4.94 H new ATOM 0 HD11 LEU A 7 11.962 13.580 8.535 1.00 5.66 H new ATOM 0 HD12 LEU A 7 12.358 12.638 7.079 1.00 5.66 H new ATOM 0 HD13 LEU A 7 13.466 13.911 7.644 1.00 5.66 H new ATOM 0 HD21 LEU A 7 11.253 15.934 8.344 1.00 5.67 H new ATOM 0 HD22 LEU A 7 12.729 16.357 7.445 1.00 5.67 H new ATOM 0 HD23 LEU A 7 11.131 16.712 6.748 1.00 5.67 H new ATOM 104 N ASP A 8 12.178 12.902 2.862 1.00 2.65 N ATOM 105 CA ASP A 8 12.137 11.589 2.224 1.00 2.38 C ATOM 106 C ASP A 8 10.997 11.511 1.212 1.00 2.22 C ATOM 107 O ASP A 8 9.895 11.068 1.536 1.00 2.74 O ATOM 108 CB ASP A 8 11.981 10.487 3.276 1.00 2.57 C ATOM 109 CG ASP A 8 13.235 10.301 4.109 1.00 3.32 C ATOM 110 OD1 ASP A 8 13.623 11.253 4.817 1.00 3.86 O ATOM 111 OD2 ASP A 8 13.826 9.203 4.053 1.00 3.77 O ATOM 0 H ASP A 8 13.066 13.392 2.758 1.00 2.65 H new ATOM 0 HA ASP A 8 13.079 11.442 1.695 1.00 2.38 H new ATOM 0 HB2 ASP A 8 11.145 10.730 3.932 1.00 2.57 H new ATOM 0 HB3 ASP A 8 11.735 9.548 2.781 1.00 2.57 H new ATOM 116 N ASN A 9 11.272 11.946 -0.014 1.00 1.98 N ATOM 117 CA ASN A 9 10.271 11.931 -1.075 1.00 2.16 C ATOM 118 C ASN A 9 10.425 10.694 -1.955 1.00 1.77 C ATOM 119 O ASN A 9 11.473 10.480 -2.565 1.00 2.00 O ATOM 120 CB ASN A 9 10.384 13.196 -1.928 1.00 2.89 C ATOM 121 CG ASN A 9 9.460 13.167 -3.129 1.00 3.63 C ATOM 122 OD1 ASN A 9 8.304 12.756 -3.029 1.00 4.06 O ATOM 123 ND2 ASN A 9 9.968 13.606 -4.276 1.00 4.31 N ATOM 0 H ASN A 9 12.180 12.313 -0.297 1.00 1.98 H new ATOM 0 HA ASN A 9 9.286 11.901 -0.609 1.00 2.16 H new ATOM 0 HB2 ASN A 9 10.151 14.067 -1.315 1.00 2.89 H new ATOM 0 HB3 ASN A 9 11.413 13.311 -2.268 1.00 2.89 H new ATOM 0 HD21 ASN A 9 9.394 13.611 -5.119 1.00 4.31 H new ATOM 0 HD22 ASN A 9 10.932 13.938 -4.313 1.00 4.31 H new ATOM 130 N THR A 10 9.373 9.881 -2.017 1.00 1.51 N ATOM 131 CA THR A 10 9.388 8.667 -2.825 1.00 1.25 C ATOM 132 C THR A 10 8.432 8.785 -4.007 1.00 1.22 C ATOM 133 O THR A 10 7.570 9.662 -4.034 1.00 1.93 O ATOM 134 CB THR A 10 9.001 7.431 -1.991 1.00 1.11 C ATOM 135 OG1 THR A 10 8.864 7.794 -0.612 1.00 1.23 O ATOM 136 CG2 THR A 10 10.045 6.334 -2.131 1.00 1.18 C ATOM 0 H THR A 10 8.499 10.042 -1.516 1.00 1.51 H new ATOM 0 HA THR A 10 10.407 8.544 -3.192 1.00 1.25 H new ATOM 0 HB THR A 10 8.049 7.053 -2.363 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.378 7.171 -0.057 1.00 1.23 H new ATOM 0 HG21 THR A 10 9.749 5.472 -1.533 1.00 1.18 H new ATOM 0 HG22 THR A 10 10.125 6.039 -3.177 1.00 1.18 H new ATOM 0 HG23 THR A 10 11.010 6.703 -1.783 1.00 1.18 H new ATOM 144 N MET A 11 8.594 7.895 -4.984 1.00 0.77 N ATOM 145 CA MET A 11 7.745 7.900 -6.171 1.00 0.68 C ATOM 146 C MET A 11 6.273 7.772 -5.788 1.00 0.61 C ATOM 147 O MET A 11 5.891 6.865 -5.048 1.00 0.63 O ATOM 148 CB MET A 11 8.142 6.767 -7.120 1.00 0.70 C ATOM 149 CG MET A 11 8.086 5.385 -6.488 1.00 0.72 C ATOM 150 SD MET A 11 8.613 4.084 -7.620 1.00 1.23 S ATOM 151 CE MET A 11 7.045 3.310 -8.008 1.00 0.74 C ATOM 0 H MET A 11 9.304 7.163 -4.976 1.00 0.77 H new ATOM 0 HA MET A 11 7.887 8.852 -6.682 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.483 6.786 -7.988 1.00 0.70 H new ATOM 0 HB3 MET A 11 9.153 6.949 -7.484 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.720 5.369 -5.601 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.068 5.182 -6.156 1.00 0.72 H new ATOM 0 HE1 MET A 11 7.052 2.278 -7.658 1.00 0.74 H new ATOM 0 HE2 MET A 11 6.239 3.854 -7.516 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.888 3.327 -9.087 1.00 0.74 H new ATOM 161 N ALA A 12 5.455 8.693 -6.291 1.00 0.57 N ATOM 162 CA ALA A 12 4.025 8.681 -6.011 1.00 0.56 C ATOM 163 C ALA A 12 3.419 7.316 -6.308 1.00 0.48 C ATOM 164 O ALA A 12 3.841 6.627 -7.238 1.00 0.46 O ATOM 165 CB ALA A 12 3.320 9.761 -6.817 1.00 0.62 C ATOM 0 H ALA A 12 5.760 9.457 -6.895 1.00 0.57 H new ATOM 0 HA ALA A 12 3.886 8.887 -4.950 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.252 9.740 -6.598 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.726 10.737 -6.551 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.475 9.581 -7.881 1.00 0.62 H new ATOM 171 N ILE A 13 2.433 6.933 -5.510 1.00 0.46 N ATOM 172 CA ILE A 13 1.762 5.652 -5.678 1.00 0.44 C ATOM 173 C ILE A 13 1.204 5.515 -7.094 1.00 0.43 C ATOM 174 O ILE A 13 1.056 4.405 -7.610 1.00 0.45 O ATOM 175 CB ILE A 13 0.633 5.490 -4.633 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.164 4.760 -3.398 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.566 4.748 -5.212 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.405 5.084 -2.130 1.00 0.58 C ATOM 0 H ILE A 13 2.078 7.494 -4.736 1.00 0.46 H new ATOM 0 HA ILE A 13 2.494 4.860 -5.521 1.00 0.44 H new ATOM 0 HB ILE A 13 0.296 6.486 -4.345 1.00 0.48 H new ATOM 0 HG12 ILE A 13 1.119 3.685 -3.574 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.214 5.016 -3.258 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.339 4.653 -4.449 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.962 5.304 -6.062 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.256 3.756 -5.540 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.837 4.531 -1.296 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.471 6.153 -1.929 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.641 4.802 -2.250 1.00 0.58 H new ATOM 190 N ARG A 14 0.906 6.651 -7.719 1.00 0.47 N ATOM 191 CA ARG A 14 0.375 6.664 -9.077 1.00 0.53 C ATOM 192 C ARG A 14 1.295 5.894 -10.021 1.00 0.51 C ATOM 193 O ARG A 14 0.831 5.183 -10.913 1.00 0.66 O ATOM 194 CB ARG A 14 0.205 8.109 -9.562 1.00 0.62 C ATOM 195 CG ARG A 14 0.097 8.247 -11.073 1.00 1.28 C ATOM 196 CD ARG A 14 1.389 8.776 -11.676 1.00 1.42 C ATOM 197 NE ARG A 14 1.643 8.222 -13.004 1.00 1.82 N ATOM 198 CZ ARG A 14 2.022 8.954 -14.049 1.00 2.23 C ATOM 199 NH1 ARG A 14 2.186 10.264 -13.921 1.00 2.63 N ATOM 200 NH2 ARG A 14 2.238 8.375 -15.223 1.00 2.82 N ATOM 0 H ARG A 14 1.024 7.576 -7.305 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.600 6.176 -9.073 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.689 8.532 -9.104 1.00 0.62 H new ATOM 0 HB3 ARG A 14 1.052 8.700 -9.213 1.00 0.62 H new ATOM 0 HG2 ARG A 14 -0.141 7.278 -11.512 1.00 1.28 H new ATOM 0 HG3 ARG A 14 -0.724 8.920 -11.321 1.00 1.28 H new ATOM 0 HD2 ARG A 14 1.340 9.863 -11.740 1.00 1.42 H new ATOM 0 HD3 ARG A 14 2.222 8.533 -11.017 1.00 1.42 H new ATOM 0 HE ARG A 14 1.523 7.218 -13.138 1.00 1.82 H new ATOM 0 HH11 ARG A 14 2.022 10.713 -13.020 1.00 2.63 H new ATOM 0 HH12 ARG A 14 2.477 10.822 -14.724 1.00 2.63 H new ATOM 0 HH21 ARG A 14 2.114 7.368 -15.325 1.00 2.82 H new ATOM 0 HH22 ARG A 14 2.528 8.937 -16.023 1.00 2.82 H new ATOM 214 N LEU A 15 2.600 6.045 -9.817 1.00 0.43 N ATOM 215 CA LEU A 15 3.588 5.364 -10.645 1.00 0.46 C ATOM 216 C LEU A 15 3.454 3.851 -10.513 1.00 0.42 C ATOM 217 O LEU A 15 3.576 3.121 -11.496 1.00 0.44 O ATOM 218 CB LEU A 15 5.001 5.796 -10.247 1.00 0.54 C ATOM 219 CG LEU A 15 5.688 6.749 -11.227 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.274 7.943 -10.489 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.771 6.019 -12.005 1.00 1.51 C ATOM 0 H LEU A 15 2.998 6.633 -9.085 1.00 0.43 H new ATOM 0 HA LEU A 15 3.409 5.640 -11.684 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.956 6.276 -9.269 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.619 4.905 -10.137 1.00 0.54 H new ATOM 0 HG LEU A 15 4.942 7.115 -11.933 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.759 8.610 -11.202 1.00 1.44 H new ATOM 0 HD12 LEU A 15 5.477 8.480 -9.974 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.007 7.596 -9.761 1.00 1.44 H new ATOM 0 HD21 LEU A 15 7.250 6.711 -12.698 1.00 1.51 H new ATOM 0 HD22 LEU A 15 7.515 5.626 -11.312 1.00 1.51 H new ATOM 0 HD23 LEU A 15 6.326 5.196 -12.564 1.00 1.51 H new ATOM 233 N LEU A 16 3.207 3.391 -9.288 1.00 0.38 N ATOM 234 CA LEU A 16 3.054 1.965 -9.017 1.00 0.38 C ATOM 235 C LEU A 16 2.037 1.331 -9.966 1.00 0.36 C ATOM 236 O LEU A 16 0.837 1.579 -9.851 1.00 0.35 O ATOM 237 CB LEU A 16 2.614 1.747 -7.565 1.00 0.39 C ATOM 238 CG LEU A 16 3.335 0.618 -6.822 1.00 0.67 C ATOM 239 CD1 LEU A 16 3.069 -0.722 -7.491 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.830 0.893 -6.751 1.00 0.93 C ATOM 0 H LEU A 16 3.109 3.987 -8.466 1.00 0.38 H new ATOM 0 HA LEU A 16 4.020 1.486 -9.178 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.765 2.676 -7.014 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.544 1.540 -7.555 1.00 0.39 H new ATOM 0 HG LEU A 16 2.945 0.575 -5.805 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.590 -1.510 -6.947 1.00 0.92 H new ATOM 0 HD12 LEU A 16 1.998 -0.925 -7.486 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.428 -0.693 -8.520 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.325 0.080 -6.220 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.235 0.966 -7.760 1.00 0.93 H new ATOM 0 HD23 LEU A 16 5.003 1.830 -6.222 1.00 0.93 H new ATOM 252 N PRO A 17 2.503 0.501 -10.923 1.00 0.38 N ATOM 253 CA PRO A 17 1.617 -0.162 -11.887 1.00 0.40 C ATOM 254 C PRO A 17 0.473 -0.906 -11.206 1.00 0.35 C ATOM 255 O PRO A 17 0.695 -1.700 -10.293 1.00 0.35 O ATOM 256 CB PRO A 17 2.542 -1.147 -12.607 1.00 0.46 C ATOM 257 CG PRO A 17 3.906 -0.566 -12.465 1.00 0.48 C ATOM 258 CD PRO A 17 3.921 0.149 -11.144 1.00 0.43 C ATOM 0 HA PRO A 17 1.135 0.553 -12.554 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.487 -2.140 -12.160 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.265 -1.254 -13.656 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.667 -1.346 -12.494 1.00 0.48 H new ATOM 0 HG3 PRO A 17 4.123 0.122 -13.282 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.305 -0.489 -10.347 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.554 1.036 -11.175 1.00 0.43 H new ATOM 266 N LEU A 18 -0.750 -0.641 -11.657 1.00 0.40 N ATOM 267 CA LEU A 18 -1.933 -1.285 -11.093 1.00 0.41 C ATOM 268 C LEU A 18 -1.902 -2.804 -11.296 1.00 0.36 C ATOM 269 O LEU A 18 -2.114 -3.554 -10.344 1.00 0.37 O ATOM 270 CB LEU A 18 -3.208 -0.698 -11.707 1.00 0.51 C ATOM 271 CG LEU A 18 -4.299 -0.310 -10.703 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.700 -1.504 -9.848 1.00 1.36 C ATOM 273 CD2 LEU A 18 -3.828 0.841 -9.824 1.00 1.64 C ATOM 0 H LEU A 18 -0.948 0.016 -12.412 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.931 -1.090 -10.021 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -2.939 0.185 -12.286 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.622 -1.424 -12.407 1.00 0.51 H new ATOM 0 HG LEU A 18 -5.176 0.016 -11.263 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.475 -1.203 -9.144 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -5.081 -2.299 -10.489 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -3.831 -1.866 -9.298 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -4.615 1.104 -9.117 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -2.935 0.539 -9.277 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.597 1.705 -10.448 1.00 1.64 H new ATOM 285 N PRO A 19 -1.647 -3.288 -12.534 1.00 0.36 N ATOM 286 CA PRO A 19 -1.603 -4.729 -12.816 1.00 0.41 C ATOM 287 C PRO A 19 -0.649 -5.474 -11.886 1.00 0.39 C ATOM 288 O PRO A 19 -0.863 -6.647 -11.575 1.00 0.44 O ATOM 289 CB PRO A 19 -1.115 -4.814 -14.270 1.00 0.49 C ATOM 290 CG PRO A 19 -0.607 -3.451 -14.604 1.00 0.59 C ATOM 291 CD PRO A 19 -1.384 -2.497 -13.748 1.00 0.40 C ATOM 0 HA PRO A 19 -2.576 -5.195 -12.661 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.329 -5.562 -14.377 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -1.925 -5.105 -14.939 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.462 -3.373 -14.403 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -0.749 -3.230 -15.662 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -0.813 -1.595 -13.527 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.308 -2.180 -14.232 1.00 0.40 H new ATOM 299 N VAL A 20 0.401 -4.789 -11.446 1.00 0.38 N ATOM 300 CA VAL A 20 1.381 -5.387 -10.547 1.00 0.44 C ATOM 301 C VAL A 20 0.939 -5.247 -9.094 1.00 0.42 C ATOM 302 O VAL A 20 1.140 -6.152 -8.284 1.00 0.46 O ATOM 303 CB VAL A 20 2.771 -4.743 -10.717 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.803 -5.457 -9.856 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.189 -4.753 -12.180 1.00 0.56 C ATOM 0 H VAL A 20 0.595 -3.820 -11.697 1.00 0.38 H new ATOM 0 HA VAL A 20 1.450 -6.443 -10.806 1.00 0.44 H new ATOM 0 HB VAL A 20 2.712 -3.706 -10.386 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.777 -4.987 -9.991 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.510 -5.392 -8.808 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.862 -6.504 -10.152 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.173 -4.294 -12.280 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.229 -5.781 -12.540 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.465 -4.191 -12.769 1.00 0.56 H new ATOM 315 N ARG A 21 0.338 -4.104 -8.775 1.00 0.42 N ATOM 316 CA ARG A 21 -0.139 -3.840 -7.422 1.00 0.46 C ATOM 317 C ARG A 21 -1.195 -4.862 -7.011 1.00 0.39 C ATOM 318 O ARG A 21 -1.279 -5.245 -5.843 1.00 0.38 O ATOM 319 CB ARG A 21 -0.719 -2.427 -7.331 1.00 0.54 C ATOM 320 CG ARG A 21 -0.923 -1.943 -5.905 1.00 1.17 C ATOM 321 CD ARG A 21 -0.643 -0.454 -5.776 1.00 0.77 C ATOM 322 NE ARG A 21 -1.871 0.337 -5.779 1.00 1.75 N ATOM 323 CZ ARG A 21 -2.041 1.434 -6.512 1.00 2.57 C ATOM 324 NH1 ARG A 21 -1.065 1.868 -7.301 1.00 2.82 N ATOM 325 NH2 ARG A 21 -3.186 2.100 -6.456 1.00 3.62 N ATOM 0 H ARG A 21 0.170 -3.346 -9.436 1.00 0.42 H new ATOM 0 HA ARG A 21 0.708 -3.923 -6.741 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.053 -1.736 -7.848 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.675 -2.401 -7.855 1.00 0.54 H new ATOM 0 HG2 ARG A 21 -1.946 -2.150 -5.592 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -0.266 -2.497 -5.234 1.00 1.17 H new ATOM 0 HD2 ARG A 21 -0.094 -0.267 -4.853 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.003 -0.133 -6.598 1.00 0.77 H new ATOM 0 HE ARG A 21 -2.642 0.031 -5.185 1.00 1.75 H new ATOM 0 HH11 ARG A 21 -0.182 1.360 -7.346 1.00 2.82 H new ATOM 0 HH12 ARG A 21 -1.199 2.709 -7.862 1.00 2.82 H new ATOM 0 HH21 ARG A 21 -3.938 1.771 -5.850 1.00 3.62 H new ATOM 0 HH22 ARG A 21 -3.315 2.941 -7.019 1.00 3.62 H new ATOM 339 N ALA A 22 -1.996 -5.294 -7.979 1.00 0.40 N ATOM 340 CA ALA A 22 -3.049 -6.272 -7.726 1.00 0.40 C ATOM 341 C ALA A 22 -2.481 -7.550 -7.119 1.00 0.35 C ATOM 342 O ALA A 22 -3.189 -8.294 -6.441 1.00 0.37 O ATOM 343 CB ALA A 22 -3.797 -6.584 -9.014 1.00 0.48 C ATOM 0 H ALA A 22 -1.936 -4.982 -8.948 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.746 -5.841 -7.007 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.580 -7.315 -8.812 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.245 -5.671 -9.405 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.102 -6.990 -9.749 1.00 0.48 H new ATOM 349 N GLN A 23 -1.199 -7.798 -7.366 1.00 0.36 N ATOM 350 CA GLN A 23 -0.536 -8.986 -6.839 1.00 0.39 C ATOM 351 C GLN A 23 -0.428 -8.910 -5.321 1.00 0.34 C ATOM 352 O GLN A 23 -0.730 -9.876 -4.618 1.00 0.42 O ATOM 353 CB GLN A 23 0.856 -9.138 -7.454 1.00 0.49 C ATOM 354 CG GLN A 23 1.409 -10.550 -7.366 1.00 0.96 C ATOM 355 CD GLN A 23 0.846 -11.464 -8.437 1.00 1.44 C ATOM 356 OE1 GLN A 23 -0.291 -11.924 -8.342 1.00 2.14 O ATOM 357 NE2 GLN A 23 1.644 -11.732 -9.464 1.00 2.10 N ATOM 0 H GLN A 23 -0.599 -7.193 -7.927 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.136 -9.857 -7.104 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.816 -8.837 -8.501 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.542 -8.456 -6.952 1.00 0.49 H new ATOM 0 HG2 GLN A 23 2.495 -10.517 -7.455 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.182 -10.965 -6.384 1.00 0.96 H new ATOM 0 HE21 GLN A 23 2.580 -11.328 -9.502 1.00 2.10 H new ATOM 0 HE22 GLN A 23 1.321 -12.342 -10.215 1.00 2.10 H new ATOM 366 N LEU A 24 0.002 -7.757 -4.821 1.00 0.29 N ATOM 367 CA LEU A 24 0.145 -7.553 -3.385 1.00 0.30 C ATOM 368 C LEU A 24 -1.221 -7.430 -2.721 1.00 0.30 C ATOM 369 O LEU A 24 -1.430 -7.928 -1.616 1.00 0.31 O ATOM 370 CB LEU A 24 0.978 -6.300 -3.105 1.00 0.38 C ATOM 371 CG LEU A 24 1.295 -6.040 -1.629 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.000 -7.237 -1.007 1.00 1.51 C ATOM 373 CD2 LEU A 24 2.143 -4.786 -1.483 1.00 1.40 C ATOM 0 H LEU A 24 0.258 -6.949 -5.389 1.00 0.29 H new ATOM 0 HA LEU A 24 0.658 -8.419 -2.967 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.917 -6.378 -3.653 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.448 -5.435 -3.503 1.00 0.38 H new ATOM 0 HG LEU A 24 0.355 -5.888 -1.099 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.215 -7.029 0.041 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.358 -8.115 -1.078 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.933 -7.426 -1.538 1.00 1.51 H new ATOM 0 HD21 LEU A 24 2.360 -4.614 -0.429 1.00 1.40 H new ATOM 0 HD22 LEU A 24 3.077 -4.913 -2.030 1.00 1.40 H new ATOM 0 HD23 LEU A 24 1.600 -3.931 -1.886 1.00 1.40 H new ATOM 385 N CYS A 25 -2.151 -6.770 -3.405 1.00 0.34 N ATOM 386 CA CYS A 25 -3.498 -6.588 -2.878 1.00 0.39 C ATOM 387 C CYS A 25 -4.152 -7.941 -2.628 1.00 0.39 C ATOM 388 O CYS A 25 -4.857 -8.130 -1.636 1.00 0.42 O ATOM 389 CB CYS A 25 -4.345 -5.766 -3.850 1.00 0.47 C ATOM 390 SG CYS A 25 -3.835 -4.037 -3.990 1.00 0.55 S ATOM 0 H CYS A 25 -1.996 -6.354 -4.323 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.431 -6.049 -1.933 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.299 -6.228 -4.836 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.386 -5.802 -3.529 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.752 -3.961 -4.704 1.00 0.55 H new ATOM 396 N ALA A 26 -3.913 -8.877 -3.541 1.00 0.40 N ATOM 397 CA ALA A 26 -4.456 -10.222 -3.421 1.00 0.45 C ATOM 398 C ALA A 26 -3.942 -10.894 -2.155 1.00 0.42 C ATOM 399 O ALA A 26 -4.691 -11.553 -1.435 1.00 0.46 O ATOM 400 CB ALA A 26 -4.082 -11.045 -4.642 1.00 0.52 C ATOM 0 H ALA A 26 -3.345 -8.726 -4.374 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.542 -10.155 -3.359 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.493 -12.050 -4.543 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.488 -10.573 -5.537 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -2.997 -11.103 -4.723 1.00 0.52 H new ATOM 406 N HIS A 27 -2.650 -10.719 -1.900 1.00 0.37 N ATOM 407 CA HIS A 27 -2.010 -11.294 -0.724 1.00 0.37 C ATOM 408 C HIS A 27 -2.660 -10.771 0.553 1.00 0.38 C ATOM 409 O HIS A 27 -3.047 -11.545 1.429 1.00 0.44 O ATOM 410 CB HIS A 27 -0.519 -10.953 -0.733 1.00 0.37 C ATOM 411 CG HIS A 27 0.195 -11.321 0.532 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.239 -12.608 1.023 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.901 -10.563 1.405 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.939 -12.627 2.145 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.352 -11.399 2.397 1.00 0.68 N ATOM 0 H HIS A 27 -2.022 -10.180 -2.497 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.133 -12.377 -0.751 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.044 -11.466 -1.569 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.402 -9.883 -0.907 1.00 0.37 H new ATOM 0 HD2 HIS A 27 1.076 -9.500 1.334 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.139 -13.498 2.751 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.915 -11.116 3.199 1.00 0.68 H new ATOM 424 N LEU A 28 -2.772 -9.451 0.647 1.00 0.37 N ATOM 425 CA LEU A 28 -3.371 -8.808 1.811 1.00 0.45 C ATOM 426 C LEU A 28 -4.813 -9.268 2.011 1.00 0.49 C ATOM 427 O LEU A 28 -5.272 -9.428 3.143 1.00 0.51 O ATOM 428 CB LEU A 28 -3.324 -7.286 1.654 1.00 0.51 C ATOM 429 CG LEU A 28 -2.004 -6.618 2.061 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.745 -6.799 3.549 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.842 -7.170 1.245 1.00 0.99 C ATOM 0 H LEU A 28 -2.454 -8.802 -0.073 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.796 -9.096 2.691 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.529 -7.040 0.612 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -4.128 -6.852 2.248 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.089 -5.551 1.855 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.804 -6.318 3.816 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.558 -6.347 4.117 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.687 -7.862 3.782 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.083 -6.681 1.552 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.758 -8.244 1.412 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.019 -6.981 0.186 1.00 0.99 H new ATOM 443 N ASP A 29 -5.521 -9.479 0.905 1.00 0.60 N ATOM 444 CA ASP A 29 -6.912 -9.919 0.958 1.00 0.69 C ATOM 445 C ASP A 29 -7.021 -11.304 1.588 1.00 0.57 C ATOM 446 O ASP A 29 -8.005 -11.615 2.262 1.00 0.55 O ATOM 447 CB ASP A 29 -7.519 -9.937 -0.446 1.00 0.94 C ATOM 448 CG ASP A 29 -8.918 -10.523 -0.463 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.879 -9.773 -0.187 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.052 -11.730 -0.751 1.00 1.12 O ATOM 0 H ASP A 29 -5.155 -9.352 -0.039 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.466 -9.212 1.576 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.549 -8.921 -0.839 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -6.877 -10.517 -1.109 1.00 0.94 H new ATOM 455 N ALA A 30 -6.006 -12.132 1.363 1.00 0.56 N ATOM 456 CA ALA A 30 -5.987 -13.484 1.907 1.00 0.58 C ATOM 457 C ALA A 30 -5.837 -13.464 3.424 1.00 0.46 C ATOM 458 O ALA A 30 -6.467 -14.252 4.131 1.00 0.54 O ATOM 459 CB ALA A 30 -4.862 -14.289 1.275 1.00 0.68 C ATOM 0 H ALA A 30 -5.186 -11.890 0.807 1.00 0.56 H new ATOM 0 HA ALA A 30 -6.939 -13.959 1.669 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -4.858 -15.297 1.690 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.013 -14.341 0.197 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -3.907 -13.807 1.485 1.00 0.68 H new ATOM 465 N LEU A 31 -4.998 -12.560 3.919 1.00 0.37 N ATOM 466 CA LEU A 31 -4.761 -12.435 5.353 1.00 0.40 C ATOM 467 C LEU A 31 -5.972 -11.832 6.058 1.00 0.40 C ATOM 468 O LEU A 31 -6.038 -11.811 7.288 1.00 0.45 O ATOM 469 CB LEU A 31 -3.526 -11.576 5.613 1.00 0.45 C ATOM 470 CG LEU A 31 -2.226 -12.359 5.804 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.094 -11.690 5.047 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.887 -12.478 7.281 1.00 1.16 C ATOM 0 H LEU A 31 -4.470 -11.902 3.347 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.592 -13.434 5.755 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.399 -10.887 4.778 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -3.703 -10.971 6.502 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.363 -13.364 5.404 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.175 -12.257 5.191 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -1.337 -11.656 3.985 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -0.957 -10.675 5.420 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.959 -13.038 7.397 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.766 -11.482 7.708 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.693 -12.999 7.798 1.00 1.16 H new ATOM 484 N ASP A 32 -6.926 -11.341 5.272 1.00 0.40 N ATOM 485 CA ASP A 32 -8.136 -10.733 5.817 1.00 0.46 C ATOM 486 C ASP A 32 -7.792 -9.606 6.787 1.00 0.46 C ATOM 487 O ASP A 32 -8.196 -9.627 7.951 1.00 0.57 O ATOM 488 CB ASP A 32 -8.995 -11.787 6.520 1.00 0.52 C ATOM 489 CG ASP A 32 -10.470 -11.436 6.505 1.00 1.20 C ATOM 490 OD1 ASP A 32 -10.821 -10.329 6.968 1.00 2.03 O ATOM 491 OD2 ASP A 32 -11.274 -12.266 6.031 1.00 1.57 O ATOM 0 H ASP A 32 -6.884 -11.352 4.253 1.00 0.40 H new ATOM 0 HA ASP A 32 -8.703 -10.311 4.987 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -8.849 -12.752 6.035 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -8.661 -11.895 7.552 1.00 0.52 H new ATOM 496 N VAL A 33 -7.040 -8.625 6.300 1.00 0.42 N ATOM 497 CA VAL A 33 -6.639 -7.488 7.119 1.00 0.43 C ATOM 498 C VAL A 33 -6.800 -6.179 6.352 1.00 0.42 C ATOM 499 O VAL A 33 -6.049 -5.226 6.566 1.00 0.52 O ATOM 500 CB VAL A 33 -5.179 -7.620 7.590 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.041 -8.752 8.595 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.252 -7.834 6.403 1.00 0.50 C ATOM 0 H VAL A 33 -6.696 -8.595 5.340 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.292 -7.479 7.992 1.00 0.43 H new ATOM 0 HB VAL A 33 -4.891 -6.692 8.083 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.002 -8.829 8.916 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.674 -8.550 9.459 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.348 -9.690 8.132 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.225 -7.925 6.755 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.538 -8.746 5.878 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.329 -6.985 5.724 1.00 0.50 H new ATOM 512 N TRP A 34 -7.783 -6.139 5.458 1.00 0.39 N ATOM 513 CA TRP A 34 -8.041 -4.948 4.658 1.00 0.38 C ATOM 514 C TRP A 34 -8.608 -3.825 5.522 1.00 0.33 C ATOM 515 O TRP A 34 -8.308 -2.650 5.306 1.00 0.34 O ATOM 516 CB TRP A 34 -9.005 -5.276 3.514 1.00 0.40 C ATOM 517 CG TRP A 34 -10.415 -5.521 3.964 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.956 -6.711 4.357 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.461 -4.549 4.069 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.276 -6.539 4.700 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.609 -5.220 4.531 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.539 -3.176 3.817 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.819 -4.564 4.747 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -12.740 -2.527 4.031 1.00 0.45 C ATOM 525 CH2 TRP A 34 -13.866 -3.220 4.492 1.00 0.50 C ATOM 0 H TRP A 34 -8.414 -6.918 5.270 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.095 -4.609 4.236 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -8.999 -4.453 2.799 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.643 -6.159 2.987 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -10.425 -7.651 4.393 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.905 -7.273 5.027 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -10.676 -2.632 3.461 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.689 -5.097 5.103 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -12.811 -1.467 3.839 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -14.790 -2.683 4.650 1.00 0.50 H new ATOM 536 N GLN A 35 -9.429 -4.196 6.500 1.00 0.32 N ATOM 537 CA GLN A 35 -10.039 -3.224 7.399 1.00 0.33 C ATOM 538 C GLN A 35 -8.976 -2.502 8.221 1.00 0.32 C ATOM 539 O GLN A 35 -9.149 -1.342 8.595 1.00 0.35 O ATOM 540 CB GLN A 35 -11.036 -3.917 8.330 1.00 0.38 C ATOM 541 CG GLN A 35 -12.230 -3.051 8.696 1.00 1.12 C ATOM 542 CD GLN A 35 -13.527 -3.835 8.754 1.00 1.61 C ATOM 543 OE1 GLN A 35 -13.662 -4.885 8.124 1.00 2.15 O ATOM 544 NE2 GLN A 35 -14.491 -3.326 9.513 1.00 2.32 N ATOM 0 H GLN A 35 -9.687 -5.164 6.690 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.568 -2.487 6.794 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.393 -4.830 7.852 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.521 -4.215 9.243 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.050 -2.582 9.663 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.328 -2.248 7.966 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -14.336 -2.453 10.018 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -15.387 -3.808 9.591 1.00 2.32 H new ATOM 553 N GLN A 36 -7.877 -3.197 8.495 1.00 0.33 N ATOM 554 CA GLN A 36 -6.784 -2.624 9.271 1.00 0.38 C ATOM 555 C GLN A 36 -6.031 -1.580 8.458 1.00 0.37 C ATOM 556 O GLN A 36 -5.475 -0.635 9.015 1.00 0.46 O ATOM 557 CB GLN A 36 -5.825 -3.724 9.731 1.00 0.45 C ATOM 558 CG GLN A 36 -6.265 -4.418 11.010 1.00 1.54 C ATOM 559 CD GLN A 36 -7.567 -5.177 10.844 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.632 -6.029 9.827 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -8.505 -5.000 11.621 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.720 -4.158 8.191 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.210 -2.136 10.148 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.730 -4.466 8.939 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -4.836 -3.292 9.883 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.485 -5.108 11.331 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -6.379 -3.676 11.800 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -8.412 -4.336 12.389 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -9.375 -5.518 11.497 1.00 2.41 H new ATOM 570 N LEU A 37 -6.017 -1.755 7.142 1.00 0.37 N ATOM 571 CA LEU A 37 -5.338 -0.817 6.256 1.00 0.40 C ATOM 572 C LEU A 37 -6.028 0.542 6.297 1.00 0.38 C ATOM 573 O LEU A 37 -5.413 1.552 6.643 1.00 0.42 O ATOM 574 CB LEU A 37 -5.320 -1.353 4.824 1.00 0.43 C ATOM 575 CG LEU A 37 -4.295 -2.457 4.558 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.758 -3.350 3.416 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.932 -1.855 4.246 1.00 0.65 C ATOM 0 H LEU A 37 -6.467 -2.536 6.665 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.310 -0.701 6.598 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.312 -1.734 4.582 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.123 -0.524 4.144 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.204 -3.067 5.457 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.017 -4.130 3.240 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.712 -3.808 3.676 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.877 -2.752 2.512 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.215 -2.655 4.059 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.008 -1.222 3.362 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.596 -1.257 5.093 1.00 0.65 H new ATOM 589 N ALA A 38 -7.307 0.556 5.933 1.00 0.36 N ATOM 590 CA ALA A 38 -8.096 1.783 5.934 1.00 0.37 C ATOM 591 C ALA A 38 -7.982 2.511 7.270 1.00 0.36 C ATOM 592 O ALA A 38 -7.663 3.699 7.317 1.00 0.41 O ATOM 593 CB ALA A 38 -9.552 1.471 5.624 1.00 0.39 C ATOM 0 H ALA A 38 -7.821 -0.272 5.632 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.701 2.440 5.159 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.131 2.395 5.628 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.623 1.002 4.642 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.947 0.792 6.380 1.00 0.39 H new ATOM 599 N THR A 39 -8.251 1.789 8.353 1.00 0.33 N ATOM 600 CA THR A 39 -8.181 2.359 9.694 1.00 0.36 C ATOM 601 C THR A 39 -6.773 2.848 10.018 1.00 0.37 C ATOM 602 O THR A 39 -6.601 3.855 10.704 1.00 0.40 O ATOM 603 CB THR A 39 -8.617 1.337 10.761 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.871 0.749 10.393 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.744 1.999 12.125 1.00 0.51 C ATOM 0 H THR A 39 -8.520 0.805 8.328 1.00 0.33 H new ATOM 0 HA THR A 39 -8.866 3.207 9.710 1.00 0.36 H new ATOM 0 HB THR A 39 -7.855 0.560 10.821 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.715 0.012 9.766 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.053 1.258 12.862 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.782 2.421 12.416 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.488 2.794 12.076 1.00 0.51 H new ATOM 613 N ALA A 40 -5.768 2.126 9.527 1.00 0.38 N ATOM 614 CA ALA A 40 -4.374 2.495 9.766 1.00 0.43 C ATOM 615 C ALA A 40 -4.095 3.917 9.292 1.00 0.42 C ATOM 616 O ALA A 40 -3.281 4.629 9.882 1.00 0.47 O ATOM 617 CB ALA A 40 -3.437 1.515 9.076 1.00 0.47 C ATOM 0 H ALA A 40 -5.892 1.285 8.963 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.195 2.453 10.840 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.403 1.805 9.265 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.609 0.512 9.465 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.626 1.525 8.003 1.00 0.47 H new ATOM 623 N VAL A 41 -4.774 4.325 8.224 1.00 0.38 N ATOM 624 CA VAL A 41 -4.603 5.666 7.680 1.00 0.40 C ATOM 625 C VAL A 41 -5.779 6.556 8.068 1.00 0.41 C ATOM 626 O VAL A 41 -5.844 7.724 7.684 1.00 0.47 O ATOM 627 CB VAL A 41 -4.461 5.643 6.143 1.00 0.42 C ATOM 628 CG1 VAL A 41 -3.222 4.861 5.734 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.707 5.057 5.494 1.00 0.45 C ATOM 0 H VAL A 41 -5.446 3.747 7.720 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.684 6.071 8.104 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.350 6.670 5.794 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -3.138 4.855 4.647 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.337 5.330 6.164 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -3.302 3.836 6.097 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.584 5.051 4.411 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.856 4.037 5.848 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.574 5.663 5.758 1.00 0.45 H new ATOM 639 N LYS A 42 -6.707 5.985 8.836 1.00 0.38 N ATOM 640 CA LYS A 42 -7.889 6.709 9.295 1.00 0.41 C ATOM 641 C LYS A 42 -8.707 7.236 8.122 1.00 0.43 C ATOM 642 O LYS A 42 -8.455 8.330 7.616 1.00 0.53 O ATOM 643 CB LYS A 42 -7.484 7.863 10.214 1.00 0.51 C ATOM 644 CG LYS A 42 -8.225 7.871 11.542 1.00 0.77 C ATOM 645 CD LYS A 42 -9.535 8.634 11.443 1.00 1.05 C ATOM 646 CE LYS A 42 -10.730 7.695 11.444 1.00 1.32 C ATOM 647 NZ LYS A 42 -12.005 8.416 11.718 1.00 2.14 N ATOM 0 H LYS A 42 -6.661 5.017 9.154 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.511 6.010 9.854 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.412 7.805 10.405 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.666 8.807 9.700 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.422 6.846 11.856 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -7.596 8.324 12.308 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -9.616 9.329 12.279 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.541 9.231 10.531 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -10.797 7.193 10.479 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.582 6.921 12.197 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -12.795 7.740 11.710 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -11.951 8.874 12.650 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -12.160 9.138 10.986 1.00 2.14 H new ATOM 661 N LEU A 43 -9.690 6.449 7.697 1.00 0.41 N ATOM 662 CA LEU A 43 -10.553 6.837 6.587 1.00 0.49 C ATOM 663 C LEU A 43 -12.002 6.959 7.048 1.00 0.49 C ATOM 664 O LEU A 43 -12.401 6.347 8.039 1.00 0.52 O ATOM 665 CB LEU A 43 -10.450 5.819 5.449 1.00 0.56 C ATOM 666 CG LEU A 43 -9.172 5.907 4.610 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.136 4.789 3.580 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.071 7.264 3.928 1.00 1.03 C ATOM 0 H LEU A 43 -9.909 5.540 8.104 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.221 7.809 6.222 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.520 4.817 5.872 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.308 5.947 4.789 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.315 5.793 5.274 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.222 4.866 2.992 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -9.161 3.825 4.088 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -10.000 4.874 2.921 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -8.156 7.307 3.337 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -9.932 7.408 3.275 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.052 8.050 4.683 1.00 1.03 H new ATOM 680 N TYR A 44 -12.785 7.750 6.321 1.00 0.50 N ATOM 681 CA TYR A 44 -14.189 7.951 6.658 1.00 0.53 C ATOM 682 C TYR A 44 -14.998 6.681 6.395 1.00 0.48 C ATOM 683 O TYR A 44 -14.926 6.112 5.307 1.00 0.48 O ATOM 684 CB TYR A 44 -14.768 9.109 5.843 1.00 0.60 C ATOM 685 CG TYR A 44 -13.990 10.400 5.976 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.034 11.142 7.149 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.208 10.873 4.928 1.00 0.91 C ATOM 688 CE1 TYR A 44 -13.323 12.320 7.275 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.495 12.050 5.048 1.00 1.10 C ATOM 690 CZ TYR A 44 -12.560 12.773 6.217 1.00 1.16 C ATOM 691 OH TYR A 44 -11.845 13.941 6.344 1.00 1.41 O ATOM 0 H TYR A 44 -12.471 8.261 5.496 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.252 8.191 7.719 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.799 8.821 4.792 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.797 9.282 6.157 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -14.634 10.793 7.976 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -13.157 10.312 4.007 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -13.364 12.883 8.196 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -11.888 12.402 4.227 1.00 1.10 H new ATOM 0 HH TYR A 44 -11.360 14.120 5.511 1.00 1.41 H new ATOM 701 N PRO A 45 -15.784 6.216 7.389 1.00 0.62 N ATOM 702 CA PRO A 45 -16.602 5.005 7.244 1.00 0.65 C ATOM 703 C PRO A 45 -17.524 5.067 6.030 1.00 0.65 C ATOM 704 O PRO A 45 -17.938 4.036 5.500 1.00 0.70 O ATOM 705 CB PRO A 45 -17.422 4.968 8.536 1.00 0.86 C ATOM 706 CG PRO A 45 -16.620 5.748 9.518 1.00 1.32 C ATOM 707 CD PRO A 45 -15.939 6.826 8.724 1.00 0.87 C ATOM 0 HA PRO A 45 -15.987 4.118 7.089 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.408 5.409 8.391 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.578 3.944 8.877 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.257 6.176 10.292 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -15.891 5.112 10.021 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.538 7.736 8.684 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -14.976 7.097 9.157 1.00 0.87 H new ATOM 715 N ASP A 46 -17.842 6.283 5.594 1.00 0.67 N ATOM 716 CA ASP A 46 -18.713 6.476 4.441 1.00 0.74 C ATOM 717 C ASP A 46 -17.991 6.108 3.150 1.00 0.69 C ATOM 718 O ASP A 46 -18.586 5.536 2.236 1.00 0.76 O ATOM 719 CB ASP A 46 -19.193 7.926 4.374 1.00 0.89 C ATOM 720 CG ASP A 46 -20.551 8.116 5.022 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.601 8.262 6.261 1.00 1.77 O ATOM 722 OD2 ASP A 46 -21.563 8.121 4.290 1.00 2.01 O ATOM 0 H ASP A 46 -17.510 7.147 6.022 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.577 5.821 4.555 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -18.465 8.570 4.867 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -19.243 8.241 3.332 1.00 0.89 H new ATOM 727 N GLN A 47 -16.706 6.438 3.082 1.00 0.63 N ATOM 728 CA GLN A 47 -15.900 6.142 1.904 1.00 0.68 C ATOM 729 C GLN A 47 -15.481 4.673 1.887 1.00 0.61 C ATOM 730 O GLN A 47 -15.415 4.050 0.828 1.00 0.65 O ATOM 731 CB GLN A 47 -14.672 7.065 1.860 1.00 0.75 C ATOM 732 CG GLN A 47 -13.346 6.353 2.074 1.00 0.78 C ATOM 733 CD GLN A 47 -12.171 7.310 2.113 1.00 1.21 C ATOM 734 OE1 GLN A 47 -12.154 8.258 2.899 1.00 1.94 O ATOM 735 NE2 GLN A 47 -11.180 7.068 1.264 1.00 1.56 N ATOM 0 H GLN A 47 -16.200 6.911 3.830 1.00 0.63 H new ATOM 0 HA GLN A 47 -16.503 6.325 1.014 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -14.647 7.572 0.895 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -14.784 7.836 2.622 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -13.385 5.793 3.008 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.193 5.628 1.274 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.235 6.271 0.630 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -10.363 7.679 1.246 1.00 1.56 H new ATOM 744 N VAL A 48 -15.199 4.127 3.068 1.00 0.57 N ATOM 745 CA VAL A 48 -14.794 2.731 3.188 1.00 0.57 C ATOM 746 C VAL A 48 -15.924 1.798 2.768 1.00 0.55 C ATOM 747 O VAL A 48 -15.687 0.661 2.360 1.00 0.51 O ATOM 748 CB VAL A 48 -14.366 2.390 4.629 1.00 0.61 C ATOM 749 CG1 VAL A 48 -13.717 1.014 4.686 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.424 3.452 5.173 1.00 0.75 C ATOM 0 H VAL A 48 -15.244 4.631 3.954 1.00 0.57 H new ATOM 0 HA VAL A 48 -13.941 2.589 2.524 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.258 2.371 5.255 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -13.422 0.793 5.712 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -14.427 0.262 4.342 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -12.836 1.000 4.045 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.133 3.193 6.191 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.535 3.506 4.544 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -13.927 4.419 5.174 1.00 0.75 H new ATOM 760 N GLU A 49 -17.155 2.290 2.873 1.00 0.60 N ATOM 761 CA GLU A 49 -18.330 1.507 2.506 1.00 0.63 C ATOM 762 C GLU A 49 -18.271 1.086 1.042 1.00 0.57 C ATOM 763 O GLU A 49 -18.757 0.017 0.673 1.00 0.57 O ATOM 764 CB GLU A 49 -19.604 2.314 2.765 1.00 0.73 C ATOM 765 CG GLU A 49 -20.835 1.454 2.991 1.00 0.87 C ATOM 766 CD GLU A 49 -22.085 2.277 3.231 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.133 3.002 4.247 1.00 1.73 O ATOM 768 OE2 GLU A 49 -23.017 2.196 2.403 1.00 2.44 O ATOM 0 H GLU A 49 -17.365 3.230 3.210 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.343 0.608 3.122 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.450 2.949 3.637 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -19.784 2.975 1.917 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -20.989 0.811 2.124 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.665 0.800 3.847 1.00 0.87 H new ATOM 775 N GLN A 50 -17.673 1.936 0.211 1.00 0.56 N ATOM 776 CA GLN A 50 -17.547 1.653 -1.214 1.00 0.55 C ATOM 777 C GLN A 50 -16.765 0.364 -1.448 1.00 0.48 C ATOM 778 O GLN A 50 -17.032 -0.374 -2.397 1.00 0.56 O ATOM 779 CB GLN A 50 -16.855 2.817 -1.926 1.00 0.59 C ATOM 780 CG GLN A 50 -17.820 3.815 -2.543 1.00 0.91 C ATOM 781 CD GLN A 50 -17.120 4.828 -3.428 1.00 1.33 C ATOM 782 OE1 GLN A 50 -17.360 4.887 -4.634 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.248 5.632 -2.831 1.00 1.46 N ATOM 0 H GLN A 50 -17.268 2.826 0.501 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.550 1.527 -1.623 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -16.214 3.337 -1.214 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.207 2.420 -2.708 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.566 3.279 -3.130 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.354 4.338 -1.749 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -16.080 5.548 -1.828 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.746 6.334 -3.375 1.00 1.46 H new ATOM 792 N ILE A 51 -15.798 0.099 -0.576 1.00 0.40 N ATOM 793 CA ILE A 51 -14.973 -1.098 -0.687 1.00 0.38 C ATOM 794 C ILE A 51 -15.732 -2.339 -0.227 1.00 0.41 C ATOM 795 O ILE A 51 -15.792 -3.340 -0.941 1.00 0.47 O ATOM 796 CB ILE A 51 -13.678 -0.966 0.137 1.00 0.35 C ATOM 797 CG1 ILE A 51 -12.923 0.305 -0.260 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.797 -2.191 -0.053 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.148 0.929 0.880 1.00 0.42 C ATOM 0 H ILE A 51 -15.566 0.698 0.216 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.716 -1.206 -1.741 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.944 -0.896 1.192 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.234 0.070 -1.071 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.634 1.034 -0.647 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.887 -2.080 0.537 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.335 -3.081 0.275 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.537 -2.292 -1.107 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.638 1.825 0.526 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.834 1.196 1.684 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.412 0.216 1.253 1.00 0.42 H new ATOM 811 N SER A 52 -16.304 -2.268 0.972 1.00 0.43 N ATOM 812 CA SER A 52 -17.059 -3.386 1.531 1.00 0.50 C ATOM 813 C SER A 52 -18.160 -3.843 0.577 1.00 0.52 C ATOM 814 O SER A 52 -18.360 -5.041 0.372 1.00 0.59 O ATOM 815 CB SER A 52 -17.668 -2.993 2.879 1.00 0.57 C ATOM 816 OG SER A 52 -19.049 -3.303 2.929 1.00 1.42 O ATOM 0 H SER A 52 -16.259 -1.447 1.576 1.00 0.43 H new ATOM 0 HA SER A 52 -16.368 -4.216 1.677 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.147 -3.514 3.682 1.00 0.57 H new ATOM 0 HB3 SER A 52 -17.526 -1.925 3.047 1.00 0.57 H new ATOM 0 HG SER A 52 -19.411 -3.043 3.802 1.00 1.42 H new ATOM 822 N SER A 53 -18.871 -2.880 0.000 1.00 0.54 N ATOM 823 CA SER A 53 -19.957 -3.177 -0.929 1.00 0.60 C ATOM 824 C SER A 53 -19.462 -3.991 -2.121 1.00 0.63 C ATOM 825 O SER A 53 -19.961 -5.085 -2.388 1.00 0.70 O ATOM 826 CB SER A 53 -20.602 -1.879 -1.419 1.00 0.68 C ATOM 827 OG SER A 53 -21.379 -2.103 -2.582 1.00 0.93 O ATOM 0 H SER A 53 -18.715 -1.885 0.159 1.00 0.54 H new ATOM 0 HA SER A 53 -20.699 -3.772 -0.396 1.00 0.60 H new ATOM 0 HB2 SER A 53 -21.231 -1.462 -0.632 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.827 -1.142 -1.632 1.00 0.68 H new ATOM 0 HG SER A 53 -21.782 -1.259 -2.874 1.00 0.93 H new ATOM 833 N GLN A 54 -18.478 -3.450 -2.834 1.00 0.67 N ATOM 834 CA GLN A 54 -17.917 -4.120 -4.000 1.00 0.80 C ATOM 835 C GLN A 54 -17.286 -5.456 -3.608 1.00 0.81 C ATOM 836 O GLN A 54 -17.235 -6.388 -4.411 1.00 0.97 O ATOM 837 CB GLN A 54 -16.891 -3.197 -4.676 1.00 0.94 C ATOM 838 CG GLN A 54 -15.670 -3.907 -5.243 1.00 1.35 C ATOM 839 CD GLN A 54 -15.886 -4.408 -6.659 1.00 1.75 C ATOM 840 OE1 GLN A 54 -16.994 -5.108 -6.878 1.00 2.48 O flip ATOM 841 NE2 GLN A 54 -15.067 -4.169 -7.545 1.00 2.07 N flip ATOM 0 H GLN A 54 -18.053 -2.547 -2.623 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.717 -4.334 -4.709 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -17.386 -2.656 -5.482 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.558 -2.454 -3.951 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -14.820 -3.225 -5.230 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.414 -4.749 -4.600 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -14.229 -3.627 -7.332 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -15.226 -4.513 -8.492 1.00 2.07 H new ATOM 850 N LYS A 55 -16.807 -5.537 -2.371 1.00 0.68 N ATOM 851 CA LYS A 55 -16.173 -6.753 -1.871 1.00 0.73 C ATOM 852 C LYS A 55 -17.141 -7.932 -1.903 1.00 0.86 C ATOM 853 O LYS A 55 -16.736 -9.073 -2.130 1.00 1.12 O ATOM 854 CB LYS A 55 -15.667 -6.535 -0.445 1.00 0.65 C ATOM 855 CG LYS A 55 -14.547 -7.481 -0.046 1.00 0.74 C ATOM 856 CD LYS A 55 -14.827 -8.140 1.296 1.00 0.76 C ATOM 857 CE LYS A 55 -14.606 -7.172 2.446 1.00 1.36 C ATOM 858 NZ LYS A 55 -15.505 -7.462 3.598 1.00 1.77 N ATOM 0 H LYS A 55 -16.846 -4.774 -1.695 1.00 0.68 H new ATOM 0 HA LYS A 55 -15.330 -6.985 -2.522 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -15.316 -5.508 -0.346 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.499 -6.656 0.249 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.427 -8.248 -0.811 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.607 -6.932 0.006 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -15.854 -8.504 1.317 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.179 -9.008 1.419 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -13.568 -7.228 2.773 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -14.777 -6.153 2.100 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -15.201 -6.908 4.424 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -16.482 -7.205 3.349 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -15.461 -8.476 3.826 1.00 1.77 H new ATOM 872 N GLN A 56 -18.420 -7.651 -1.675 1.00 0.79 N ATOM 873 CA GLN A 56 -19.447 -8.687 -1.676 1.00 0.97 C ATOM 874 C GLN A 56 -19.516 -9.394 -3.027 1.00 1.12 C ATOM 875 O GLN A 56 -20.135 -10.450 -3.156 1.00 1.37 O ATOM 876 CB GLN A 56 -20.811 -8.082 -1.337 1.00 0.96 C ATOM 877 CG GLN A 56 -21.602 -8.895 -0.326 1.00 1.58 C ATOM 878 CD GLN A 56 -22.595 -8.054 0.451 1.00 2.14 C ATOM 879 OE1 GLN A 56 -23.807 -8.222 0.317 1.00 2.41 O ATOM 880 NE2 GLN A 56 -22.085 -7.141 1.269 1.00 3.02 N ATOM 0 H GLN A 56 -18.771 -6.712 -1.487 1.00 0.79 H new ATOM 0 HA GLN A 56 -19.181 -9.423 -0.917 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.666 -7.075 -0.947 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -21.395 -7.988 -2.252 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -22.134 -9.693 -0.844 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.912 -9.372 0.370 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -21.074 -7.036 1.349 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -22.705 -6.545 1.817 1.00 3.02 H new ATOM 889 N ARG A 57 -18.878 -8.802 -4.033 1.00 1.15 N ATOM 890 CA ARG A 57 -18.868 -9.373 -5.374 1.00 1.46 C ATOM 891 C ARG A 57 -17.572 -9.029 -6.102 1.00 1.58 C ATOM 892 O ARG A 57 -17.466 -7.981 -6.740 1.00 1.74 O ATOM 893 CB ARG A 57 -20.068 -8.863 -6.175 1.00 1.66 C ATOM 894 CG ARG A 57 -20.405 -7.406 -5.906 1.00 1.38 C ATOM 895 CD ARG A 57 -20.791 -6.677 -7.183 1.00 1.67 C ATOM 896 NE ARG A 57 -19.770 -6.806 -8.219 1.00 1.89 N ATOM 897 CZ ARG A 57 -20.002 -6.605 -9.513 1.00 2.38 C ATOM 898 NH1 ARG A 57 -21.214 -6.262 -9.928 1.00 2.83 N ATOM 899 NH2 ARG A 57 -19.020 -6.745 -10.394 1.00 2.99 N ATOM 0 H ARG A 57 -18.361 -7.927 -3.944 1.00 1.15 H new ATOM 0 HA ARG A 57 -18.935 -10.457 -5.282 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -19.865 -8.990 -7.238 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -20.938 -9.477 -5.941 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -21.225 -7.348 -5.191 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -19.548 -6.912 -5.449 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -21.736 -7.073 -7.555 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -20.952 -5.622 -6.963 1.00 1.67 H new ATOM 0 HE ARG A 57 -18.825 -7.065 -7.934 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -21.972 -6.152 -9.254 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -21.389 -6.109 -10.921 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -18.086 -7.007 -10.079 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -19.199 -6.591 -11.386 1.00 2.99 H new ATOM 913 N GLY A 58 -16.587 -9.915 -6.000 1.00 1.74 N ATOM 914 CA GLY A 58 -15.313 -9.686 -6.655 1.00 2.05 C ATOM 915 C GLY A 58 -14.139 -9.805 -5.703 1.00 1.56 C ATOM 916 O GLY A 58 -13.014 -10.068 -6.128 1.00 1.61 O ATOM 0 H GLY A 58 -16.648 -10.788 -5.475 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -15.192 -10.403 -7.467 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.313 -8.693 -7.104 1.00 2.05 H new ATOM 920 N ARG A 59 -14.403 -9.610 -4.413 1.00 1.40 N ATOM 921 CA ARG A 59 -13.360 -9.695 -3.395 1.00 1.48 C ATOM 922 C ARG A 59 -12.223 -8.722 -3.700 1.00 1.02 C ATOM 923 O ARG A 59 -12.417 -7.729 -4.403 1.00 1.47 O ATOM 924 CB ARG A 59 -12.820 -11.125 -3.305 1.00 2.32 C ATOM 925 CG ARG A 59 -13.787 -12.097 -2.650 1.00 3.01 C ATOM 926 CD ARG A 59 -13.627 -12.107 -1.138 1.00 3.79 C ATOM 927 NE ARG A 59 -14.570 -13.018 -0.494 1.00 4.29 N ATOM 928 CZ ARG A 59 -14.590 -13.256 0.814 1.00 4.87 C ATOM 929 NH1 ARG A 59 -13.721 -12.655 1.616 1.00 5.10 N ATOM 930 NH2 ARG A 59 -15.480 -14.097 1.322 1.00 5.55 N ATOM 0 H ARG A 59 -15.330 -9.392 -4.048 1.00 1.40 H new ATOM 0 HA ARG A 59 -13.798 -9.422 -2.435 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -12.584 -11.480 -4.308 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -11.887 -11.118 -2.742 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -14.810 -11.823 -2.907 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -13.618 -13.100 -3.042 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -12.608 -12.400 -0.883 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -13.775 -11.099 -0.751 1.00 3.79 H new ATOM 0 HE ARG A 59 -15.252 -13.499 -1.081 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -13.034 -12.007 1.230 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -13.740 -12.840 2.619 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -16.150 -14.562 0.709 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -15.495 -14.279 2.325 1.00 5.55 H new ATOM 944 N SER A 60 -11.037 -9.013 -3.167 1.00 0.87 N ATOM 945 CA SER A 60 -9.868 -8.166 -3.381 1.00 0.54 C ATOM 946 C SER A 60 -10.139 -6.740 -2.911 1.00 0.42 C ATOM 947 O SER A 60 -9.985 -5.782 -3.669 1.00 0.40 O ATOM 948 CB SER A 60 -9.471 -8.171 -4.860 1.00 0.77 C ATOM 949 OG SER A 60 -8.065 -8.255 -5.009 1.00 1.51 O ATOM 0 H SER A 60 -10.862 -9.831 -2.583 1.00 0.87 H new ATOM 0 HA SER A 60 -9.042 -8.569 -2.794 1.00 0.54 H new ATOM 0 HB2 SER A 60 -9.944 -9.013 -5.364 1.00 0.77 H new ATOM 0 HB3 SER A 60 -9.838 -7.264 -5.341 1.00 0.77 H new ATOM 0 HG SER A 60 -7.837 -8.258 -5.962 1.00 1.51 H new ATOM 955 N ALA A 61 -10.545 -6.610 -1.651 1.00 0.38 N ATOM 956 CA ALA A 61 -10.839 -5.305 -1.072 1.00 0.33 C ATOM 957 C ALA A 61 -9.605 -4.410 -1.076 1.00 0.29 C ATOM 958 O ALA A 61 -9.714 -3.186 -1.151 1.00 0.27 O ATOM 959 CB ALA A 61 -11.373 -5.467 0.342 1.00 0.39 C ATOM 0 H ALA A 61 -10.678 -7.394 -1.012 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.602 -4.825 -1.685 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.589 -4.485 0.764 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.286 -6.062 0.320 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.627 -5.970 0.957 1.00 0.39 H new ATOM 965 N SER A 62 -8.431 -5.029 -0.989 1.00 0.33 N ATOM 966 CA SER A 62 -7.174 -4.291 -0.981 1.00 0.34 C ATOM 967 C SER A 62 -6.953 -3.570 -2.308 1.00 0.31 C ATOM 968 O SER A 62 -6.412 -2.465 -2.343 1.00 0.31 O ATOM 969 CB SER A 62 -6.006 -5.238 -0.700 1.00 0.42 C ATOM 970 OG SER A 62 -6.316 -6.131 0.357 1.00 0.66 O ATOM 0 H SER A 62 -8.325 -6.041 -0.923 1.00 0.33 H new ATOM 0 HA SER A 62 -7.227 -3.543 -0.190 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.768 -5.804 -1.601 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.118 -4.660 -0.443 1.00 0.42 H new ATOM 0 HG SER A 62 -6.008 -7.032 0.125 1.00 0.66 H new ATOM 976 N ASN A 63 -7.371 -4.206 -3.399 1.00 0.32 N ATOM 977 CA ASN A 63 -7.221 -3.629 -4.731 1.00 0.32 C ATOM 978 C ASN A 63 -7.985 -2.313 -4.845 1.00 0.31 C ATOM 979 O ASN A 63 -7.424 -1.290 -5.240 1.00 0.33 O ATOM 980 CB ASN A 63 -7.706 -4.619 -5.795 1.00 0.35 C ATOM 981 CG ASN A 63 -8.297 -3.929 -7.010 1.00 0.92 C ATOM 982 OD1 ASN A 63 -9.482 -4.082 -7.310 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.473 -3.166 -7.717 1.00 1.79 N ATOM 0 H ASN A 63 -7.817 -5.123 -3.386 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.163 -3.423 -4.896 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -6.872 -5.247 -6.109 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.455 -5.279 -5.357 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -7.814 -2.678 -8.545 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -6.499 -3.067 -7.432 1.00 1.79 H new ATOM 990 N GLU A 64 -9.269 -2.348 -4.500 1.00 0.31 N ATOM 991 CA GLU A 64 -10.112 -1.159 -4.566 1.00 0.33 C ATOM 992 C GLU A 64 -9.630 -0.095 -3.585 1.00 0.31 C ATOM 993 O GLU A 64 -9.585 1.091 -3.912 1.00 0.34 O ATOM 994 CB GLU A 64 -11.565 -1.524 -4.263 1.00 0.37 C ATOM 995 CG GLU A 64 -12.376 -1.872 -5.499 1.00 0.87 C ATOM 996 CD GLU A 64 -12.750 -0.650 -6.315 1.00 1.10 C ATOM 997 OE1 GLU A 64 -12.989 0.416 -5.711 1.00 1.72 O ATOM 998 OE2 GLU A 64 -12.801 -0.759 -7.559 1.00 1.66 O ATOM 0 H GLU A 64 -9.748 -3.187 -4.172 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.047 -0.753 -5.576 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.582 -2.371 -3.577 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -12.041 -0.688 -3.750 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -11.804 -2.559 -6.122 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -13.284 -2.395 -5.198 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.270 -0.531 -2.382 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.790 0.377 -1.346 1.00 0.29 C ATOM 1007 C PHE A 65 -7.585 1.173 -1.839 1.00 0.30 C ATOM 1008 O PHE A 65 -7.498 2.382 -1.626 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.426 -0.412 -0.084 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.507 0.320 0.853 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.992 1.333 1.666 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -6.162 -0.001 0.920 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -7.152 2.010 2.529 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.317 0.673 1.781 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.803 1.671 2.584 1.00 0.48 C ATOM 0 H PHE A 65 -9.302 -1.511 -2.100 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.588 1.080 -1.107 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.342 -0.668 0.449 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.956 -1.350 -0.378 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -9.039 1.596 1.624 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.769 -0.787 0.292 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.540 2.798 3.158 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.270 0.412 1.821 1.00 0.42 H new ATOM 0 HZ PHE A 65 -5.141 2.194 3.258 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.658 0.486 -2.496 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.455 1.126 -3.018 1.00 0.35 C ATOM 1027 C LEU A 66 -5.796 2.130 -4.115 1.00 0.37 C ATOM 1028 O LEU A 66 -5.133 3.157 -4.258 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.487 0.070 -3.562 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.233 -0.170 -2.715 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.424 1.112 -2.575 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.610 -0.717 -1.346 1.00 0.61 C ATOM 0 H LEU A 66 -6.716 -0.516 -2.680 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.979 1.664 -2.198 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.024 -0.873 -3.662 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.177 0.368 -4.564 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.614 -0.910 -3.223 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.538 0.919 -1.970 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.120 1.460 -3.562 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -3.034 1.876 -2.092 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.707 -0.881 -0.758 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.252 -0.001 -0.832 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.142 -1.661 -1.465 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.830 1.825 -4.892 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.255 2.696 -5.984 1.00 0.42 C ATOM 1046 C ASN A 67 -7.732 4.053 -5.469 1.00 0.41 C ATOM 1047 O ASN A 67 -7.267 5.097 -5.926 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.368 2.028 -6.791 1.00 0.47 C ATOM 1049 CG ASN A 67 -7.836 1.268 -7.990 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -6.935 0.325 -7.741 1.00 1.10 O flip ATOM 1051 ND2 ASN A 67 -8.230 1.526 -9.128 1.00 1.48 N flip ATOM 0 H ASN A 67 -7.391 0.980 -4.786 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.391 2.864 -6.627 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.920 1.344 -6.146 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.074 2.787 -7.129 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.924 2.259 -9.273 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -7.862 1.006 -9.925 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.661 4.029 -4.518 1.00 0.33 N ATOM 1059 CA ILE A 68 -9.215 5.256 -3.953 1.00 0.35 C ATOM 1060 C ILE A 68 -8.198 5.991 -3.081 1.00 0.35 C ATOM 1061 O ILE A 68 -7.982 7.191 -3.246 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.479 4.963 -3.120 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.500 4.195 -3.962 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -11.085 6.257 -2.594 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.999 2.928 -3.303 1.00 0.52 C ATOM 0 H ILE A 68 -9.047 3.172 -4.122 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.477 5.896 -4.796 1.00 0.35 H new ATOM 0 HB ILE A 68 -10.198 4.347 -2.266 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -12.350 4.845 -4.170 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -11.050 3.942 -4.922 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.976 6.030 -2.009 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -10.358 6.770 -1.964 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.355 6.899 -3.432 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.719 2.437 -3.957 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.159 2.258 -3.120 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.479 3.175 -2.356 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.576 5.266 -2.156 1.00 0.35 N ATOM 1078 CA TRP A 69 -6.590 5.861 -1.257 1.00 0.38 C ATOM 1079 C TRP A 69 -5.315 6.229 -2.010 1.00 0.45 C ATOM 1080 O TRP A 69 -4.952 7.402 -2.098 1.00 0.62 O ATOM 1081 CB TRP A 69 -6.265 4.894 -0.115 1.00 0.42 C ATOM 1082 CG TRP A 69 -5.131 5.348 0.754 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -5.138 6.390 1.638 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.821 4.772 0.823 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.913 6.495 2.252 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -3.088 5.513 1.769 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -3.198 3.700 0.178 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.764 5.216 2.085 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.884 3.407 0.491 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -1.180 4.161 1.437 1.00 0.63 C ATOM 0 H TRP A 69 -7.736 4.269 -2.009 1.00 0.35 H new ATOM 0 HA TRP A 69 -7.017 6.774 -0.841 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -7.154 4.762 0.502 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -6.021 3.918 -0.535 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.982 7.036 1.827 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.659 7.191 2.953 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -3.734 3.111 -0.552 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -1.219 5.797 2.814 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -1.392 2.582 -0.003 1.00 0.62 H new ATOM 0 HH2 TRP A 69 -0.155 3.905 1.660 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.640 5.221 -2.551 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.415 5.463 -3.289 1.00 0.74 C ATOM 1103 C GLY A 70 -3.672 5.851 -4.731 1.00 0.86 C ATOM 1104 O GLY A 70 -3.694 4.995 -5.616 1.00 1.08 O ATOM 0 H GLY A 70 -4.919 4.242 -2.492 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.850 6.255 -2.798 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -2.796 4.566 -3.262 1.00 0.74 H new ATOM 1108 N GLY A 71 -3.866 7.145 -4.968 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.119 7.621 -6.315 1.00 1.16 C ATOM 1110 C GLY A 71 -4.810 8.970 -6.334 1.00 1.26 C ATOM 1111 O GLY A 71 -4.570 9.786 -7.223 1.00 1.54 O ATOM 0 H GLY A 71 -3.852 7.871 -4.252 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -3.175 7.692 -6.855 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -4.735 6.894 -6.844 1.00 1.16 H new ATOM 1115 N GLN A 72 -5.673 9.204 -5.349 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.402 10.463 -5.254 1.00 1.31 C ATOM 1117 C GLN A 72 -5.704 11.429 -4.303 1.00 1.31 C ATOM 1118 O GLN A 72 -5.637 12.630 -4.561 1.00 1.64 O ATOM 1119 CB GLN A 72 -7.835 10.213 -4.780 1.00 1.35 C ATOM 1120 CG GLN A 72 -8.607 9.241 -5.656 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.106 9.455 -5.582 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.668 9.626 -4.500 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -10.763 9.447 -6.737 1.00 1.99 N ATOM 0 H GLN A 72 -5.884 8.538 -4.606 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.426 10.913 -6.247 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.809 9.828 -3.761 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.369 11.163 -4.749 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.279 9.349 -6.690 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.374 8.220 -5.353 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.257 9.302 -7.611 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.773 9.586 -6.750 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.185 10.894 -3.202 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.492 11.707 -2.209 1.00 1.16 C ATOM 1134 C TYR A 73 -3.053 11.982 -2.637 1.00 1.24 C ATOM 1135 O TYR A 73 -2.317 12.687 -1.946 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.507 11.010 -0.848 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.887 10.894 -0.238 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -6.415 11.921 0.533 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.660 9.757 -0.434 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -7.675 11.819 1.091 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.922 9.647 0.120 1.00 0.97 C ATOM 1142 CZ TYR A 73 -8.423 10.679 0.886 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.680 10.575 1.435 1.00 1.38 O ATOM 0 H TYR A 73 -5.231 9.901 -2.975 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.016 12.660 -2.128 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.082 10.012 -0.956 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.861 11.558 -0.162 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -5.831 12.814 0.699 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.269 8.945 -1.029 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -8.072 12.629 1.685 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.512 8.758 -0.046 1.00 0.97 H new ATOM 0 HH TYR A 73 -10.072 9.710 1.194 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.660 11.421 -3.779 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.308 11.603 -4.299 1.00 1.34 C ATOM 1155 C ASN A 74 -0.270 11.180 -3.263 1.00 0.95 C ATOM 1156 O ASN A 74 0.697 11.896 -3.005 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.083 13.062 -4.703 1.00 1.91 C ATOM 1158 CG ASN A 74 0.024 13.216 -5.727 1.00 2.53 C ATOM 1159 OD1 ASN A 74 0.982 12.445 -5.744 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -0.103 14.219 -6.589 1.00 3.10 N ATOM 0 H ASN A 74 -3.260 10.837 -4.361 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.195 10.972 -5.181 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -2.009 13.470 -5.109 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.838 13.648 -3.817 1.00 1.91 H new ATOM 0 HD21 ASN A 74 0.611 14.373 -7.301 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -0.915 14.835 -6.539 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.481 10.005 -2.676 1.00 0.64 N ATOM 1168 CA HIS A 75 0.424 9.475 -1.664 1.00 0.65 C ATOM 1169 C HIS A 75 1.691 8.913 -2.303 1.00 0.56 C ATOM 1170 O HIS A 75 1.989 9.198 -3.463 1.00 1.01 O ATOM 1171 CB HIS A 75 -0.284 8.386 -0.853 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.424 8.716 0.601 1.00 1.69 C ATOM 1173 ND1 HIS A 75 0.576 8.494 1.523 1.00 2.23 N ATOM 1174 CD2 HIS A 75 -1.457 9.254 1.290 1.00 2.43 C ATOM 1175 CE1 HIS A 75 0.164 8.881 2.718 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -1.066 9.345 2.604 1.00 2.80 N ATOM 0 H HIS A 75 -1.275 9.400 -2.886 1.00 0.64 H new ATOM 0 HA HIS A 75 0.712 10.290 -1.000 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -1.274 8.216 -1.275 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.270 7.452 -0.953 1.00 1.06 H new ATOM 0 HD2 HIS A 75 -2.411 9.556 0.883 1.00 2.43 H new ATOM 0 HE1 HIS A 75 0.737 8.827 3.632 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -1.634 9.712 3.367 1.00 2.80 H new ATOM 1185 N THR A 76 2.435 8.115 -1.539 1.00 0.64 N ATOM 1186 CA THR A 76 3.669 7.512 -2.032 1.00 0.64 C ATOM 1187 C THR A 76 3.845 6.102 -1.475 1.00 0.51 C ATOM 1188 O THR A 76 3.215 5.732 -0.485 1.00 0.43 O ATOM 1189 CB THR A 76 4.904 8.353 -1.657 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.041 8.415 -0.233 1.00 1.17 O ATOM 1191 CG2 THR A 76 4.798 9.763 -2.222 1.00 1.07 C ATOM 0 H THR A 76 2.203 7.872 -0.576 1.00 0.64 H new ATOM 0 HA THR A 76 3.587 7.471 -3.118 1.00 0.64 H new ATOM 0 HB THR A 76 5.783 7.873 -2.088 1.00 0.89 H new ATOM 0 HG1 THR A 76 5.829 8.950 -0.003 1.00 1.17 H new ATOM 0 HG21 THR A 76 5.683 10.335 -1.942 1.00 1.07 H new ATOM 0 HG22 THR A 76 4.726 9.715 -3.309 1.00 1.07 H new ATOM 0 HG23 THR A 76 3.909 10.250 -1.820 1.00 1.07 H new ATOM 1199 N VAL A 77 4.707 5.324 -2.121 1.00 0.53 N ATOM 1200 CA VAL A 77 4.967 3.950 -1.702 1.00 0.49 C ATOM 1201 C VAL A 77 5.599 3.891 -0.314 1.00 0.40 C ATOM 1202 O VAL A 77 5.644 2.831 0.310 1.00 0.39 O ATOM 1203 CB VAL A 77 5.889 3.230 -2.703 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.203 3.088 -4.052 1.00 1.22 C ATOM 1205 CG2 VAL A 77 7.210 3.973 -2.844 1.00 1.25 C ATOM 0 H VAL A 77 5.239 5.622 -2.939 1.00 0.53 H new ATOM 0 HA VAL A 77 4.001 3.447 -1.670 1.00 0.49 H new ATOM 0 HB VAL A 77 6.100 2.231 -2.321 1.00 0.61 H new ATOM 0 HG11 VAL A 77 5.869 2.577 -4.747 1.00 1.22 H new ATOM 0 HG12 VAL A 77 4.287 2.509 -3.935 1.00 1.22 H new ATOM 0 HG13 VAL A 77 4.960 4.076 -4.443 1.00 1.22 H new ATOM 0 HG21 VAL A 77 7.848 3.449 -3.556 1.00 1.25 H new ATOM 0 HG22 VAL A 77 7.022 4.985 -3.202 1.00 1.25 H new ATOM 0 HG23 VAL A 77 7.707 4.018 -1.875 1.00 1.25 H new ATOM 1215 N GLN A 78 6.085 5.032 0.162 1.00 0.42 N ATOM 1216 CA GLN A 78 6.718 5.103 1.475 1.00 0.42 C ATOM 1217 C GLN A 78 5.753 4.673 2.574 1.00 0.37 C ATOM 1218 O GLN A 78 6.029 3.737 3.324 1.00 0.35 O ATOM 1219 CB GLN A 78 7.214 6.523 1.750 1.00 0.54 C ATOM 1220 CG GLN A 78 8.544 6.566 2.481 1.00 1.05 C ATOM 1221 CD GLN A 78 8.383 6.519 3.987 1.00 1.49 C ATOM 1222 OE1 GLN A 78 8.215 5.449 4.573 1.00 2.24 O ATOM 1223 NE2 GLN A 78 8.432 7.683 4.624 1.00 1.87 N ATOM 0 H GLN A 78 6.053 5.919 -0.340 1.00 0.42 H new ATOM 0 HA GLN A 78 7.567 4.419 1.474 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.310 7.056 0.804 1.00 0.54 H new ATOM 0 HB3 GLN A 78 6.466 7.053 2.340 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.159 5.726 2.159 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.077 7.476 2.205 1.00 1.05 H new ATOM 0 HE21 GLN A 78 8.573 8.546 4.099 1.00 1.87 H new ATOM 0 HE22 GLN A 78 8.329 7.714 5.638 1.00 1.87 H new ATOM 1232 N THR A 79 4.624 5.367 2.664 1.00 0.42 N ATOM 1233 CA THR A 79 3.612 5.066 3.671 1.00 0.45 C ATOM 1234 C THR A 79 3.199 3.598 3.623 1.00 0.39 C ATOM 1235 O THR A 79 2.942 2.982 4.656 1.00 0.40 O ATOM 1236 CB THR A 79 2.361 5.945 3.489 1.00 0.56 C ATOM 1237 OG1 THR A 79 2.746 7.316 3.342 1.00 0.65 O ATOM 1238 CG2 THR A 79 1.422 5.801 4.677 1.00 0.71 C ATOM 0 H THR A 79 4.386 6.145 2.049 1.00 0.42 H new ATOM 0 HA THR A 79 4.062 5.280 4.641 1.00 0.45 H new ATOM 0 HB THR A 79 1.838 5.616 2.591 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.478 7.818 4.140 1.00 0.65 H new ATOM 0 HG21 THR A 79 0.545 6.431 4.526 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.110 4.761 4.770 1.00 0.71 H new ATOM 0 HG23 THR A 79 1.937 6.108 5.587 1.00 0.71 H new ATOM 1246 N LEU A 80 3.137 3.045 2.415 1.00 0.35 N ATOM 1247 CA LEU A 80 2.757 1.649 2.231 1.00 0.34 C ATOM 1248 C LEU A 80 3.741 0.721 2.936 1.00 0.32 C ATOM 1249 O LEU A 80 3.348 -0.294 3.512 1.00 0.34 O ATOM 1250 CB LEU A 80 2.691 1.309 0.739 1.00 0.37 C ATOM 1251 CG LEU A 80 2.268 -0.127 0.415 1.00 0.42 C ATOM 1252 CD1 LEU A 80 0.879 -0.416 0.965 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.309 -0.365 -1.087 1.00 0.50 C ATOM 0 H LEU A 80 3.345 3.543 1.549 1.00 0.35 H new ATOM 0 HA LEU A 80 1.771 1.504 2.672 1.00 0.34 H new ATOM 0 HB2 LEU A 80 1.993 1.994 0.257 1.00 0.37 H new ATOM 0 HB3 LEU A 80 3.671 1.490 0.298 1.00 0.37 H new ATOM 0 HG LEU A 80 2.971 -0.809 0.893 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.598 -1.441 0.724 1.00 0.47 H new ATOM 0 HD12 LEU A 80 0.882 -0.286 2.047 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.161 0.272 0.519 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.006 -1.390 -1.301 1.00 0.50 H new ATOM 0 HD22 LEU A 80 1.628 0.326 -1.584 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.322 -0.202 -1.454 1.00 0.50 H new ATOM 1265 N PHE A 81 5.021 1.076 2.886 1.00 0.33 N ATOM 1266 CA PHE A 81 6.064 0.279 3.523 1.00 0.36 C ATOM 1267 C PHE A 81 5.840 0.196 5.030 1.00 0.37 C ATOM 1268 O PHE A 81 5.709 -0.892 5.590 1.00 0.38 O ATOM 1269 CB PHE A 81 7.441 0.878 3.231 1.00 0.41 C ATOM 1270 CG PHE A 81 8.567 -0.106 3.373 1.00 0.47 C ATOM 1271 CD1 PHE A 81 8.932 -0.918 2.311 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.260 -0.218 4.567 1.00 0.55 C ATOM 1273 CE1 PHE A 81 9.968 -1.824 2.439 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.297 -1.122 4.701 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.651 -1.926 3.635 1.00 0.73 C ATOM 0 H PHE A 81 5.361 1.912 2.410 1.00 0.33 H new ATOM 0 HA PHE A 81 6.020 -0.730 3.112 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.446 1.279 2.218 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.614 1.716 3.906 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.401 -0.842 1.373 1.00 0.59 H new ATOM 0 HD2 PHE A 81 8.987 0.408 5.403 1.00 0.55 H new ATOM 0 HE1 PHE A 81 10.243 -2.452 1.604 1.00 0.71 H new ATOM 0 HE2 PHE A 81 10.829 -1.200 5.637 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.461 -2.633 3.737 1.00 0.73 H new ATOM 1285 N ALA A 82 5.801 1.357 5.677 1.00 0.45 N ATOM 1286 CA ALA A 82 5.594 1.427 7.119 1.00 0.52 C ATOM 1287 C ALA A 82 4.242 0.844 7.517 1.00 0.45 C ATOM 1288 O ALA A 82 4.019 0.510 8.681 1.00 0.43 O ATOM 1289 CB ALA A 82 5.708 2.868 7.596 1.00 0.67 C ATOM 0 H ALA A 82 5.910 2.264 5.224 1.00 0.45 H new ATOM 0 HA ALA A 82 6.369 0.829 7.599 1.00 0.52 H new ATOM 0 HB1 ALA A 82 5.552 2.908 8.674 1.00 0.67 H new ATOM 0 HB2 ALA A 82 6.700 3.252 7.359 1.00 0.67 H new ATOM 0 HB3 ALA A 82 4.954 3.477 7.097 1.00 0.67 H new ATOM 1295 N LEU A 83 3.344 0.723 6.545 1.00 0.44 N ATOM 1296 CA LEU A 83 2.012 0.183 6.796 1.00 0.41 C ATOM 1297 C LEU A 83 2.084 -1.286 7.198 1.00 0.36 C ATOM 1298 O LEU A 83 1.651 -1.663 8.287 1.00 0.36 O ATOM 1299 CB LEU A 83 1.132 0.340 5.553 1.00 0.46 C ATOM 1300 CG LEU A 83 -0.126 1.188 5.751 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.725 1.574 4.408 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -1.145 0.440 6.596 1.00 1.23 C ATOM 0 H LEU A 83 3.514 0.992 5.576 1.00 0.44 H new ATOM 0 HA LEU A 83 1.571 0.744 7.620 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.730 0.785 4.758 1.00 0.46 H new ATOM 0 HB3 LEU A 83 0.833 -0.651 5.211 1.00 0.46 H new ATOM 0 HG LEU A 83 0.153 2.101 6.278 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.619 2.177 4.568 1.00 1.08 H new ATOM 0 HD12 LEU A 83 0.003 2.150 3.837 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.989 0.673 3.855 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -2.033 1.058 6.727 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -1.420 -0.489 6.097 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.714 0.214 7.571 1.00 1.23 H new ATOM 1314 N PHE A 84 2.632 -2.113 6.310 1.00 0.37 N ATOM 1315 CA PHE A 84 2.759 -3.543 6.569 1.00 0.39 C ATOM 1316 C PHE A 84 3.564 -3.804 7.839 1.00 0.39 C ATOM 1317 O PHE A 84 3.384 -4.829 8.496 1.00 0.41 O ATOM 1318 CB PHE A 84 3.421 -4.242 5.380 1.00 0.45 C ATOM 1319 CG PHE A 84 2.660 -4.092 4.093 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.293 -4.329 4.045 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.311 -3.716 2.928 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.593 -4.191 2.862 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.615 -3.578 1.743 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.254 -3.816 1.710 1.00 0.42 C ATOM 0 H PHE A 84 2.995 -1.816 5.404 1.00 0.37 H new ATOM 0 HA PHE A 84 1.757 -3.947 6.710 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.426 -3.841 5.247 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.529 -5.303 5.607 1.00 0.45 H new ATOM 0 HD1 PHE A 84 0.771 -4.625 4.943 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.374 -3.529 2.947 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.471 -4.376 2.839 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.134 -3.284 0.843 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.709 -3.709 0.784 1.00 0.42 H new ATOM 1334 N LYS A 85 4.452 -2.873 8.174 1.00 0.43 N ATOM 1335 CA LYS A 85 5.284 -3.001 9.366 1.00 0.47 C ATOM 1336 C LYS A 85 4.429 -3.261 10.602 1.00 0.48 C ATOM 1337 O LYS A 85 4.829 -3.998 11.503 1.00 0.51 O ATOM 1338 CB LYS A 85 6.121 -1.738 9.569 1.00 0.56 C ATOM 1339 CG LYS A 85 7.553 -2.022 9.992 1.00 0.83 C ATOM 1340 CD LYS A 85 8.450 -0.817 9.765 1.00 0.64 C ATOM 1341 CE LYS A 85 9.869 -1.237 9.419 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.617 -1.704 10.619 1.00 1.59 N ATOM 0 H LYS A 85 4.614 -2.021 7.637 1.00 0.43 H new ATOM 0 HA LYS A 85 5.951 -3.851 9.222 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.131 -1.165 8.642 1.00 0.56 H new ATOM 0 HB3 LYS A 85 5.644 -1.113 10.324 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.574 -2.299 11.046 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.937 -2.874 9.431 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.043 -0.206 8.959 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.461 -0.196 10.661 1.00 0.64 H new ATOM 0 HE2 LYS A 85 9.841 -2.034 8.676 1.00 1.03 H new ATOM 0 HE3 LYS A 85 10.396 -0.397 8.966 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.580 -1.981 10.341 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 10.666 -0.936 11.318 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.128 -2.521 11.036 1.00 1.59 H new ATOM 1356 N LYS A 86 3.250 -2.647 10.638 1.00 0.52 N ATOM 1357 CA LYS A 86 2.334 -2.811 11.761 1.00 0.59 C ATOM 1358 C LYS A 86 1.962 -4.279 11.950 1.00 0.61 C ATOM 1359 O LYS A 86 1.881 -4.767 13.078 1.00 0.69 O ATOM 1360 CB LYS A 86 1.072 -1.975 11.540 1.00 0.71 C ATOM 1361 CG LYS A 86 0.217 -1.823 12.788 1.00 1.05 C ATOM 1362 CD LYS A 86 -1.265 -1.820 12.450 1.00 1.31 C ATOM 1363 CE LYS A 86 -2.030 -2.832 13.285 1.00 1.84 C ATOM 1364 NZ LYS A 86 -2.579 -2.225 14.529 1.00 2.31 N ATOM 0 H LYS A 86 2.907 -2.031 9.901 1.00 0.52 H new ATOM 0 HA LYS A 86 2.837 -2.465 12.664 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.359 -0.986 11.184 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.474 -2.436 10.754 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.432 -2.638 13.479 1.00 1.05 H new ATOM 0 HG3 LYS A 86 0.477 -0.895 13.298 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.675 -0.824 12.618 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -1.398 -2.045 11.392 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -2.846 -3.248 12.694 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -1.371 -3.660 13.546 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -3.094 -2.949 15.070 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -1.799 -1.851 15.106 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -3.228 -1.451 14.281 1.00 2.31 H new ATOM 1378 N LEU A 87 1.737 -4.977 10.841 1.00 0.61 N ATOM 1379 CA LEU A 87 1.375 -6.390 10.884 1.00 0.70 C ATOM 1380 C LEU A 87 2.613 -7.273 10.761 1.00 0.63 C ATOM 1381 O LEU A 87 2.516 -8.501 10.785 1.00 0.74 O ATOM 1382 CB LEU A 87 0.386 -6.722 9.766 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.743 -5.708 9.575 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.386 -5.877 8.207 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.782 -5.855 10.675 1.00 1.46 C ATOM 0 H LEU A 87 1.799 -4.587 9.901 1.00 0.61 H new ATOM 0 HA LEU A 87 0.903 -6.587 11.846 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.937 -6.810 8.829 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -0.054 -7.698 9.970 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.319 -4.705 9.634 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.187 -5.147 8.089 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -0.636 -5.722 7.431 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.796 -6.883 8.119 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.578 -5.126 10.524 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.201 -6.861 10.647 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.313 -5.684 11.644 1.00 1.46 H new ATOM 1397 N LYS A 88 3.776 -6.639 10.630 1.00 0.52 N ATOM 1398 CA LYS A 88 5.039 -7.361 10.500 1.00 0.53 C ATOM 1399 C LYS A 88 4.996 -8.325 9.318 1.00 0.51 C ATOM 1400 O LYS A 88 5.399 -9.483 9.433 1.00 0.56 O ATOM 1401 CB LYS A 88 5.355 -8.127 11.788 1.00 0.69 C ATOM 1402 CG LYS A 88 5.070 -7.338 13.056 1.00 1.16 C ATOM 1403 CD LYS A 88 6.346 -6.768 13.656 1.00 1.45 C ATOM 1404 CE LYS A 88 6.061 -5.530 14.492 1.00 2.05 C ATOM 1405 NZ LYS A 88 7.032 -5.380 15.611 1.00 2.87 N ATOM 0 H LYS A 88 3.870 -5.623 10.611 1.00 0.52 H new ATOM 0 HA LYS A 88 5.827 -6.629 10.322 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.771 -9.047 11.805 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.406 -8.416 11.779 1.00 0.69 H new ATOM 0 HG2 LYS A 88 4.377 -6.526 12.833 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.580 -7.983 13.785 1.00 1.16 H new ATOM 0 HD2 LYS A 88 6.828 -7.524 14.276 1.00 1.45 H new ATOM 0 HD3 LYS A 88 7.045 -6.517 12.858 1.00 1.45 H new ATOM 0 HE2 LYS A 88 6.100 -4.646 13.856 1.00 2.05 H new ATOM 0 HE3 LYS A 88 5.050 -5.589 14.894 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 6.803 -4.525 16.157 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 6.977 -6.212 16.232 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 7.995 -5.298 15.227 1.00 2.87 H new ATOM 1419 N LEU A 89 4.504 -7.840 8.183 1.00 0.47 N ATOM 1420 CA LEU A 89 4.409 -8.660 6.980 1.00 0.46 C ATOM 1421 C LEU A 89 5.686 -8.562 6.152 1.00 0.45 C ATOM 1422 O LEU A 89 5.726 -7.874 5.131 1.00 0.43 O ATOM 1423 CB LEU A 89 3.205 -8.229 6.140 1.00 0.48 C ATOM 1424 CG LEU A 89 1.840 -8.536 6.759 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.739 -7.798 6.012 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.578 -10.034 6.755 1.00 1.31 C ATOM 0 H LEU A 89 4.165 -6.885 8.071 1.00 0.47 H new ATOM 0 HA LEU A 89 4.277 -9.698 7.286 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.272 -7.156 5.960 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.265 -8.719 5.168 1.00 0.48 H new ATOM 0 HG LEU A 89 1.844 -8.191 7.793 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.225 -8.028 6.465 1.00 1.25 H new ATOM 0 HD12 LEU A 89 0.919 -6.724 6.066 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.733 -8.113 4.968 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.603 -10.234 7.199 1.00 1.31 H new ATOM 0 HD22 LEU A 89 1.592 -10.403 5.730 1.00 1.31 H new ATOM 0 HD23 LEU A 89 2.351 -10.540 7.334 1.00 1.31 H new ATOM 1438 N HIS A 90 6.729 -9.252 6.604 1.00 0.55 N ATOM 1439 CA HIS A 90 8.013 -9.252 5.911 1.00 0.64 C ATOM 1440 C HIS A 90 7.847 -9.663 4.451 1.00 0.60 C ATOM 1441 O HIS A 90 8.562 -9.179 3.574 1.00 0.69 O ATOM 1442 CB HIS A 90 8.991 -10.199 6.609 1.00 0.81 C ATOM 1443 CG HIS A 90 10.048 -9.493 7.399 1.00 0.97 C ATOM 1444 ND1 HIS A 90 11.370 -9.886 7.409 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.974 -8.412 8.212 1.00 0.98 C ATOM 1446 CE1 HIS A 90 12.061 -9.079 8.193 1.00 1.84 C ATOM 1447 NE2 HIS A 90 11.238 -8.176 8.691 1.00 1.38 N ATOM 0 H HIS A 90 6.709 -9.820 7.451 1.00 0.55 H new ATOM 0 HA HIS A 90 8.412 -8.238 5.940 1.00 0.64 H new ATOM 0 HB2 HIS A 90 8.433 -10.859 7.273 1.00 0.81 H new ATOM 0 HB3 HIS A 90 9.470 -10.830 5.860 1.00 0.81 H new ATOM 0 HD2 HIS A 90 9.086 -7.842 8.441 1.00 0.98 H new ATOM 0 HE1 HIS A 90 13.120 -9.147 8.393 1.00 1.84 H new ATOM 0 HE2 HIS A 90 11.499 -7.424 9.329 1.00 1.38 H new ATOM 1456 N ASN A 91 6.899 -10.560 4.200 1.00 0.54 N ATOM 1457 CA ASN A 91 6.636 -11.044 2.851 1.00 0.55 C ATOM 1458 C ASN A 91 6.123 -9.921 1.955 1.00 0.46 C ATOM 1459 O ASN A 91 6.634 -9.711 0.854 1.00 0.45 O ATOM 1460 CB ASN A 91 5.620 -12.187 2.888 1.00 0.63 C ATOM 1461 CG ASN A 91 6.243 -13.501 3.312 1.00 1.13 C ATOM 1462 OD1 ASN A 91 7.129 -13.536 4.167 1.00 1.98 O ATOM 1463 ND2 ASN A 91 5.784 -14.594 2.713 1.00 1.60 N ATOM 0 H ASN A 91 6.298 -10.967 4.917 1.00 0.54 H new ATOM 0 HA ASN A 91 7.574 -11.412 2.436 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.815 -11.931 3.576 1.00 0.63 H new ATOM 0 HB3 ASN A 91 5.171 -12.303 1.901 1.00 0.63 H new ATOM 0 HD21 ASN A 91 6.167 -15.508 2.956 1.00 1.60 H new ATOM 0 HD22 ASN A 91 5.049 -14.520 2.010 1.00 1.60 H new ATOM 1470 N ALA A 92 5.110 -9.204 2.433 1.00 0.42 N ATOM 1471 CA ALA A 92 4.523 -8.102 1.677 1.00 0.39 C ATOM 1472 C ALA A 92 5.588 -7.102 1.233 1.00 0.36 C ATOM 1473 O ALA A 92 5.517 -6.554 0.134 1.00 0.38 O ATOM 1474 CB ALA A 92 3.456 -7.405 2.509 1.00 0.41 C ATOM 0 H ALA A 92 4.678 -9.367 3.342 1.00 0.42 H new ATOM 0 HA ALA A 92 4.061 -8.516 0.781 1.00 0.39 H new ATOM 0 HB1 ALA A 92 3.025 -6.585 1.935 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.673 -8.118 2.767 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.905 -7.013 3.422 1.00 0.41 H new ATOM 1480 N MET A 93 6.569 -6.866 2.097 1.00 0.39 N ATOM 1481 CA MET A 93 7.649 -5.932 1.795 1.00 0.43 C ATOM 1482 C MET A 93 8.419 -6.365 0.550 1.00 0.40 C ATOM 1483 O MET A 93 8.716 -5.548 -0.322 1.00 0.39 O ATOM 1484 CB MET A 93 8.603 -5.823 2.986 1.00 0.55 C ATOM 1485 CG MET A 93 7.945 -5.283 4.245 1.00 0.71 C ATOM 1486 SD MET A 93 8.942 -5.557 5.722 1.00 1.06 S ATOM 1487 CE MET A 93 8.185 -4.401 6.862 1.00 1.29 C ATOM 0 H MET A 93 6.639 -7.309 3.013 1.00 0.39 H new ATOM 0 HA MET A 93 7.205 -4.956 1.600 1.00 0.43 H new ATOM 0 HB2 MET A 93 9.020 -6.807 3.198 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.437 -5.175 2.715 1.00 0.55 H new ATOM 0 HG2 MET A 93 7.764 -4.215 4.126 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.973 -5.758 4.374 1.00 0.71 H new ATOM 0 HE1 MET A 93 8.694 -4.453 7.825 1.00 1.29 H new ATOM 0 HE2 MET A 93 8.267 -3.390 6.463 1.00 1.29 H new ATOM 0 HE3 MET A 93 7.133 -4.655 6.993 1.00 1.29 H new ATOM 1497 N ARG A 94 8.740 -7.654 0.478 1.00 0.44 N ATOM 1498 CA ARG A 94 9.484 -8.201 -0.655 1.00 0.45 C ATOM 1499 C ARG A 94 8.756 -7.960 -1.976 1.00 0.44 C ATOM 1500 O ARG A 94 9.367 -7.997 -3.044 1.00 0.49 O ATOM 1501 CB ARG A 94 9.717 -9.700 -0.458 1.00 0.55 C ATOM 1502 CG ARG A 94 11.086 -10.032 0.115 1.00 1.28 C ATOM 1503 CD ARG A 94 11.195 -11.504 0.479 1.00 1.44 C ATOM 1504 NE ARG A 94 11.867 -12.277 -0.562 1.00 1.97 N ATOM 1505 CZ ARG A 94 11.780 -13.599 -0.669 1.00 2.47 C ATOM 1506 NH1 ARG A 94 11.051 -14.293 0.194 1.00 2.58 N ATOM 1507 NH2 ARG A 94 12.425 -14.229 -1.643 1.00 3.39 N ATOM 0 H ARG A 94 8.496 -8.341 1.192 1.00 0.44 H new ATOM 0 HA ARG A 94 10.443 -7.685 -0.700 1.00 0.45 H new ATOM 0 HB2 ARG A 94 8.949 -10.095 0.207 1.00 0.55 H new ATOM 0 HB3 ARG A 94 9.601 -10.207 -1.416 1.00 0.55 H new ATOM 0 HG2 ARG A 94 11.857 -9.778 -0.612 1.00 1.28 H new ATOM 0 HG3 ARG A 94 11.269 -9.423 1.000 1.00 1.28 H new ATOM 0 HD2 ARG A 94 11.742 -11.606 1.416 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.198 -11.911 0.646 1.00 1.44 H new ATOM 0 HE ARG A 94 12.434 -11.775 -1.245 1.00 1.97 H new ATOM 0 HH11 ARG A 94 10.554 -13.813 0.944 1.00 2.58 H new ATOM 0 HH12 ARG A 94 10.987 -15.307 0.108 1.00 2.58 H new ATOM 0 HH21 ARG A 94 12.987 -13.699 -2.309 1.00 3.39 H new ATOM 0 HH22 ARG A 94 12.359 -15.243 -1.726 1.00 3.39 H new ATOM 1521 N LEU A 95 7.451 -7.716 -1.900 1.00 0.44 N ATOM 1522 CA LEU A 95 6.652 -7.476 -3.098 1.00 0.47 C ATOM 1523 C LEU A 95 6.873 -6.065 -3.635 1.00 0.46 C ATOM 1524 O LEU A 95 6.887 -5.850 -4.848 1.00 0.52 O ATOM 1525 CB LEU A 95 5.165 -7.691 -2.802 1.00 0.53 C ATOM 1526 CG LEU A 95 4.669 -9.126 -2.985 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.501 -9.808 -1.636 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.359 -9.142 -3.759 1.00 0.67 C ATOM 0 H LEU A 95 6.926 -7.679 -1.026 1.00 0.44 H new ATOM 0 HA LEU A 95 6.972 -8.188 -3.858 1.00 0.47 H new ATOM 0 HB2 LEU A 95 4.966 -7.382 -1.776 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.583 -7.036 -3.450 1.00 0.53 H new ATOM 0 HG LEU A 95 5.414 -9.678 -3.558 1.00 0.55 H new ATOM 0 HD11 LEU A 95 4.147 -10.828 -1.786 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.459 -9.828 -1.117 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.776 -9.257 -1.037 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.020 -10.171 -3.880 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.606 -8.574 -3.212 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.511 -8.692 -4.740 1.00 0.67 H new ATOM 1540 N ILE A 96 7.047 -5.108 -2.728 1.00 0.43 N ATOM 1541 CA ILE A 96 7.263 -3.718 -3.120 1.00 0.50 C ATOM 1542 C ILE A 96 8.559 -3.168 -2.531 1.00 0.61 C ATOM 1543 O ILE A 96 8.541 -2.244 -1.716 1.00 1.29 O ATOM 1544 CB ILE A 96 6.086 -2.822 -2.686 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.677 -3.134 -1.244 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.906 -3.003 -3.628 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.645 -1.915 -0.348 1.00 0.48 C ATOM 0 H ILE A 96 7.043 -5.268 -1.721 1.00 0.43 H new ATOM 0 HA ILE A 96 7.335 -3.706 -4.208 1.00 0.50 H new ATOM 0 HB ILE A 96 6.408 -1.782 -2.733 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.691 -3.599 -1.247 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.372 -3.863 -0.827 1.00 0.52 H new ATOM 0 HG21 ILE A 96 4.083 -2.364 -3.308 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.204 -2.731 -4.641 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.584 -4.044 -3.612 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.347 -2.211 0.658 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.636 -1.462 -0.315 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.929 -1.193 -0.741 1.00 0.48 H new ATOM 1559 N LYS A 97 9.684 -3.737 -2.951 1.00 0.66 N ATOM 1560 CA LYS A 97 10.990 -3.296 -2.470 1.00 0.66 C ATOM 1561 C LYS A 97 11.689 -2.438 -3.521 1.00 0.82 C ATOM 1562 O LYS A 97 12.196 -1.360 -3.221 1.00 1.43 O ATOM 1563 CB LYS A 97 11.866 -4.498 -2.106 1.00 0.74 C ATOM 1564 CG LYS A 97 11.608 -5.729 -2.959 1.00 1.33 C ATOM 1565 CD LYS A 97 12.874 -6.548 -3.152 1.00 1.77 C ATOM 1566 CE LYS A 97 13.024 -7.606 -2.071 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.288 -7.003 -0.736 1.00 2.85 N ATOM 0 H LYS A 97 9.719 -4.504 -3.623 1.00 0.66 H new ATOM 0 HA LYS A 97 10.835 -2.694 -1.575 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.914 -4.214 -2.203 1.00 0.74 H new ATOM 0 HB3 LYS A 97 11.700 -4.752 -1.059 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.843 -6.346 -2.488 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.219 -5.425 -3.931 1.00 1.33 H new ATOM 0 HD2 LYS A 97 12.853 -7.027 -4.131 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.741 -5.888 -3.139 1.00 1.77 H new ATOM 0 HE2 LYS A 97 12.117 -8.208 -2.024 1.00 2.29 H new ATOM 0 HE3 LYS A 97 13.840 -8.279 -2.333 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 13.890 -7.643 -0.179 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 13.772 -6.090 -0.857 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 12.387 -6.854 -0.238 1.00 2.85 H new ATOM 1581 N ASP A 98 11.726 -2.932 -4.753 1.00 0.74 N ATOM 1582 CA ASP A 98 12.353 -2.205 -5.852 1.00 0.85 C ATOM 1583 C ASP A 98 11.526 -0.981 -6.253 1.00 0.73 C ATOM 1584 O ASP A 98 11.791 -0.357 -7.281 1.00 0.84 O ATOM 1585 CB ASP A 98 12.536 -3.126 -7.058 1.00 1.04 C ATOM 1586 CG ASP A 98 13.994 -3.308 -7.434 1.00 1.30 C ATOM 1587 OD1 ASP A 98 14.622 -2.320 -7.869 1.00 1.64 O ATOM 1588 OD2 ASP A 98 14.507 -4.437 -7.293 1.00 1.63 O ATOM 0 H ASP A 98 11.329 -3.834 -5.017 1.00 0.74 H new ATOM 0 HA ASP A 98 13.329 -1.859 -5.510 1.00 0.85 H new ATOM 0 HB2 ASP A 98 12.097 -4.099 -6.838 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.993 -2.716 -7.910 1.00 1.04 H new ATOM 1593 N TYR A 99 10.522 -0.642 -5.442 1.00 0.60 N ATOM 1594 CA TYR A 99 9.656 0.496 -5.738 1.00 0.64 C ATOM 1595 C TYR A 99 9.810 1.621 -4.714 1.00 0.78 C ATOM 1596 O TYR A 99 9.238 2.698 -4.885 1.00 1.08 O ATOM 1597 CB TYR A 99 8.196 0.045 -5.792 1.00 0.63 C ATOM 1598 CG TYR A 99 7.925 -1.009 -6.843 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.654 -0.653 -8.158 1.00 0.74 C ATOM 1600 CD2 TYR A 99 7.943 -2.360 -6.519 1.00 0.75 C ATOM 1601 CE1 TYR A 99 7.407 -1.614 -9.120 1.00 0.84 C ATOM 1602 CE2 TYR A 99 7.698 -3.326 -7.475 1.00 0.92 C ATOM 1603 CZ TYR A 99 7.423 -2.947 -8.773 1.00 0.93 C ATOM 1604 OH TYR A 99 7.186 -3.907 -9.730 1.00 1.13 O ATOM 0 H TYR A 99 10.291 -1.137 -4.581 1.00 0.60 H new ATOM 0 HA TYR A 99 9.959 0.889 -6.709 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.909 -0.345 -4.816 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.564 0.911 -5.987 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.636 0.391 -8.433 1.00 0.74 H new ATOM 0 HD2 TYR A 99 8.152 -2.660 -5.503 1.00 0.75 H new ATOM 0 HE1 TYR A 99 7.202 -1.321 -10.139 1.00 0.84 H new ATOM 0 HE2 TYR A 99 7.722 -4.372 -7.208 1.00 0.92 H new ATOM 0 HH TYR A 99 7.234 -4.796 -9.321 1.00 1.13 H new ATOM 1614 N VAL A 100 10.575 1.378 -3.652 1.00 0.68 N ATOM 1615 CA VAL A 100 10.777 2.399 -2.624 1.00 0.84 C ATOM 1616 C VAL A 100 12.080 3.159 -2.852 1.00 1.12 C ATOM 1617 O VAL A 100 12.771 2.942 -3.847 1.00 1.37 O ATOM 1618 CB VAL A 100 10.781 1.809 -1.196 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.475 2.126 -0.485 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.029 0.310 -1.217 1.00 0.84 C ATOM 0 H VAL A 100 11.059 0.497 -3.481 1.00 0.68 H new ATOM 0 HA VAL A 100 9.932 3.083 -2.709 1.00 0.84 H new ATOM 0 HB VAL A 100 11.599 2.273 -0.645 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.495 1.703 0.519 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.349 3.207 -0.421 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.643 1.696 -1.043 1.00 0.99 H new ATOM 0 HG21 VAL A 100 11.026 -0.074 -0.197 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.244 -0.181 -1.792 1.00 0.84 H new ATOM 0 HG23 VAL A 100 11.996 0.108 -1.678 1.00 0.84 H new ATOM 1630 N SER A 101 12.404 4.055 -1.923 1.00 1.24 N ATOM 1631 CA SER A 101 13.617 4.863 -2.017 1.00 1.56 C ATOM 1632 C SER A 101 14.853 3.992 -2.218 1.00 1.20 C ATOM 1633 O SER A 101 14.853 2.806 -1.886 1.00 1.50 O ATOM 1634 CB SER A 101 13.784 5.713 -0.757 1.00 2.21 C ATOM 1635 OG SER A 101 13.812 7.094 -1.073 1.00 2.53 O ATOM 0 H SER A 101 11.841 4.240 -1.093 1.00 1.24 H new ATOM 0 HA SER A 101 13.515 5.515 -2.885 1.00 1.56 H new ATOM 0 HB2 SER A 101 12.964 5.511 -0.067 1.00 2.21 H new ATOM 0 HB3 SER A 101 14.706 5.435 -0.247 1.00 2.21 H new ATOM 0 HG SER A 101 13.918 7.616 -0.250 1.00 2.53 H new ATOM 1641 N GLU A 102 15.907 4.593 -2.765 1.00 1.32 N ATOM 1642 CA GLU A 102 17.156 3.880 -3.015 1.00 1.81 C ATOM 1643 C GLU A 102 17.931 3.670 -1.718 1.00 1.95 C ATOM 1644 O GLU A 102 18.928 2.949 -1.689 1.00 2.25 O ATOM 1645 CB GLU A 102 18.013 4.652 -4.020 1.00 2.43 C ATOM 1646 CG GLU A 102 18.528 5.981 -3.491 1.00 3.30 C ATOM 1647 CD GLU A 102 19.218 6.808 -4.559 1.00 3.82 C ATOM 1648 OE1 GLU A 102 19.813 6.212 -5.480 1.00 4.07 O ATOM 1649 OE2 GLU A 102 19.162 8.054 -4.474 1.00 4.26 O ATOM 0 H GLU A 102 15.920 5.574 -3.044 1.00 1.32 H new ATOM 0 HA GLU A 102 16.913 2.903 -3.432 1.00 1.81 H new ATOM 0 HB2 GLU A 102 18.862 4.033 -4.311 1.00 2.43 H new ATOM 0 HB3 GLU A 102 17.427 4.832 -4.921 1.00 2.43 H new ATOM 0 HG2 GLU A 102 17.695 6.550 -3.078 1.00 3.30 H new ATOM 0 HG3 GLU A 102 19.225 5.797 -2.673 1.00 3.30 H new ATOM 1656 N ASP A 103 17.471 4.308 -0.648 1.00 1.90 N ATOM 1657 CA ASP A 103 18.120 4.189 0.652 1.00 2.17 C ATOM 1658 C ASP A 103 17.965 2.776 1.206 1.00 1.97 C ATOM 1659 O ASP A 103 18.779 2.321 2.011 1.00 2.18 O ATOM 1660 CB ASP A 103 17.530 5.200 1.637 1.00 2.39 C ATOM 1661 CG ASP A 103 18.394 5.377 2.871 1.00 2.79 C ATOM 1662 OD1 ASP A 103 19.609 5.621 2.716 1.00 3.12 O ATOM 1663 OD2 ASP A 103 17.855 5.271 3.993 1.00 3.15 O ATOM 0 H ASP A 103 16.650 4.914 -0.655 1.00 1.90 H new ATOM 0 HA ASP A 103 19.182 4.398 0.521 1.00 2.17 H new ATOM 0 HB2 ASP A 103 17.412 6.162 1.139 1.00 2.39 H new ATOM 0 HB3 ASP A 103 16.535 4.872 1.938 1.00 2.39 H new ATOM 1668 N LEU A 104 16.917 2.086 0.766 1.00 1.66 N ATOM 1669 CA LEU A 104 16.651 0.726 1.218 1.00 1.57 C ATOM 1670 C LEU A 104 17.425 -0.294 0.389 1.00 1.70 C ATOM 1671 O LEU A 104 17.463 -1.477 0.725 1.00 1.91 O ATOM 1672 CB LEU A 104 15.153 0.428 1.146 1.00 1.43 C ATOM 1673 CG LEU A 104 14.273 1.327 2.017 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.545 2.352 1.161 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.281 0.491 2.813 1.00 1.73 C ATOM 0 H LEU A 104 16.238 2.448 0.096 1.00 1.66 H new ATOM 0 HA LEU A 104 16.984 0.646 2.253 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.829 0.521 0.110 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.989 -0.609 1.439 1.00 1.43 H new ATOM 0 HG LEU A 104 14.913 1.861 2.719 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.924 2.982 1.797 1.00 1.68 H new ATOM 0 HD12 LEU A 104 14.273 2.971 0.637 1.00 1.68 H new ATOM 0 HD13 LEU A 104 12.915 1.838 0.435 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.663 1.146 3.427 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.645 -0.070 2.128 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.823 -0.203 3.455 1.00 1.73 H new ATOM 1687 N HIS A 105 18.040 0.168 -0.696 1.00 1.83 N ATOM 1688 CA HIS A 105 18.811 -0.715 -1.566 1.00 2.15 C ATOM 1689 C HIS A 105 20.094 -1.168 -0.877 1.00 2.44 C ATOM 1690 O HIS A 105 21.159 -0.584 -1.079 1.00 2.79 O ATOM 1691 CB HIS A 105 19.144 -0.013 -2.883 1.00 2.42 C ATOM 1692 CG HIS A 105 18.138 -0.262 -3.963 1.00 2.36 C ATOM 1693 ND1 HIS A 105 16.922 0.292 -4.187 1.00 2.91 N flip ATOM 1694 CD2 HIS A 105 18.328 -1.182 -4.973 1.00 2.29 C flip ATOM 1695 CE1 HIS A 105 16.408 -0.298 -5.315 1.00 3.15 C flip ATOM 1696 NE2 HIS A 105 17.276 -1.182 -5.771 1.00 2.81 N flip ATOM 0 H HIS A 105 18.020 1.144 -0.993 1.00 1.83 H new ATOM 0 HA HIS A 105 18.203 -1.594 -1.780 1.00 2.15 H new ATOM 0 HB2 HIS A 105 19.217 1.060 -2.705 1.00 2.42 H new ATOM 0 HB3 HIS A 105 20.123 -0.346 -3.226 1.00 2.42 H new ATOM 0 HD2 HIS A 105 19.202 -1.806 -5.093 1.00 2.29 H new ATOM 0 HE1 HIS A 105 15.449 -0.075 -5.758 1.00 3.15 H new ATOM 0 HE2 HIS A 105 17.155 -1.766 -6.599 1.00 2.81 H new ATOM 1705 N LYS A 106 19.983 -2.214 -0.062 1.00 2.38 N ATOM 1706 CA LYS A 106 21.131 -2.748 0.661 1.00 2.72 C ATOM 1707 C LYS A 106 20.800 -4.097 1.289 1.00 2.73 C ATOM 1708 O LYS A 106 21.665 -4.964 1.415 1.00 3.11 O ATOM 1709 CB LYS A 106 21.582 -1.765 1.745 1.00 2.83 C ATOM 1710 CG LYS A 106 20.463 -1.331 2.677 1.00 2.56 C ATOM 1711 CD LYS A 106 20.808 -1.616 4.130 1.00 2.86 C ATOM 1712 CE LYS A 106 19.762 -1.044 5.073 1.00 3.00 C ATOM 1713 NZ LYS A 106 18.839 -2.096 5.583 1.00 3.43 N ATOM 0 H LYS A 106 19.108 -2.708 0.113 1.00 2.38 H new ATOM 0 HA LYS A 106 21.943 -2.889 -0.053 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.376 -2.225 2.334 1.00 2.83 H new ATOM 0 HB3 LYS A 106 22.009 -0.883 1.268 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.274 -0.265 2.549 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.543 -1.852 2.411 1.00 2.56 H new ATOM 0 HD2 LYS A 106 20.887 -2.692 4.282 1.00 2.86 H new ATOM 0 HD3 LYS A 106 21.783 -1.189 4.364 1.00 2.86 H new ATOM 0 HE2 LYS A 106 20.258 -0.558 5.913 1.00 3.00 H new ATOM 0 HE3 LYS A 106 19.187 -0.277 4.555 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 18.264 -1.708 6.358 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 18.215 -2.413 4.814 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 19.393 -2.903 5.934 1.00 3.43 H new ATOM 1727 N TYR A 107 19.542 -4.268 1.684 1.00 2.40 N ATOM 1728 CA TYR A 107 19.095 -5.511 2.300 1.00 2.46 C ATOM 1729 C TYR A 107 18.590 -6.480 1.239 1.00 2.35 C ATOM 1730 O TYR A 107 18.455 -7.679 1.487 1.00 2.42 O ATOM 1731 CB TYR A 107 17.999 -5.234 3.335 1.00 2.46 C ATOM 1732 CG TYR A 107 16.642 -4.934 2.733 1.00 2.20 C ATOM 1733 CD1 TYR A 107 15.739 -5.956 2.464 1.00 2.20 C ATOM 1734 CD2 TYR A 107 16.266 -3.631 2.432 1.00 2.03 C ATOM 1735 CE1 TYR A 107 14.500 -5.686 1.913 1.00 2.07 C ATOM 1736 CE2 TYR A 107 15.030 -3.353 1.883 1.00 1.88 C ATOM 1737 CZ TYR A 107 14.149 -4.385 1.629 1.00 1.92 C ATOM 1738 OH TYR A 107 12.918 -4.109 1.079 1.00 1.91 O ATOM 0 H TYR A 107 18.814 -3.560 1.588 1.00 2.40 H new ATOM 0 HA TYR A 107 19.944 -5.967 2.809 1.00 2.46 H new ATOM 0 HB2 TYR A 107 17.909 -6.098 3.994 1.00 2.46 H new ATOM 0 HB3 TYR A 107 18.304 -4.391 3.955 1.00 2.46 H new ATOM 0 HD1 TYR A 107 16.010 -6.977 2.689 1.00 2.20 H new ATOM 0 HD2 TYR A 107 16.952 -2.821 2.631 1.00 2.03 H new ATOM 0 HE1 TYR A 107 13.811 -6.491 1.706 1.00 2.07 H new ATOM 0 HE2 TYR A 107 14.754 -2.334 1.654 1.00 1.88 H new ATOM 0 HH TYR A 107 12.830 -3.143 0.942 1.00 1.91 H new ATOM 1748 N ILE A 108 18.307 -5.942 0.056 1.00 2.27 N ATOM 1749 CA ILE A 108 17.811 -6.738 -1.057 1.00 2.27 C ATOM 1750 C ILE A 108 18.712 -7.951 -1.309 1.00 2.49 C ATOM 1751 O ILE A 108 19.927 -7.806 -1.455 1.00 2.67 O ATOM 1752 CB ILE A 108 17.718 -5.886 -2.342 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.428 -5.064 -2.337 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.786 -6.760 -3.585 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.598 -3.676 -1.761 1.00 1.86 C ATOM 0 H ILE A 108 18.415 -4.950 -0.155 1.00 2.27 H new ATOM 0 HA ILE A 108 16.814 -7.090 -0.791 1.00 2.27 H new ATOM 0 HB ILE A 108 18.570 -5.207 -2.363 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.055 -4.982 -3.358 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.670 -5.596 -1.763 1.00 2.08 H new ATOM 0 HG21 ILE A 108 17.718 -6.134 -4.474 1.00 2.59 H new ATOM 0 HG22 ILE A 108 18.730 -7.304 -3.596 1.00 2.59 H new ATOM 0 HG23 ILE A 108 16.958 -7.469 -3.577 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.643 -3.151 -1.789 1.00 1.86 H new ATOM 0 HD12 ILE A 108 16.941 -3.750 -0.729 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.332 -3.126 -2.349 1.00 1.86 H new ATOM 1767 N PRO A 109 18.129 -9.164 -1.365 1.00 2.54 N ATOM 1768 CA PRO A 109 18.890 -10.393 -1.598 1.00 2.77 C ATOM 1769 C PRO A 109 19.235 -10.596 -3.069 1.00 3.02 C ATOM 1770 O PRO A 109 18.494 -10.171 -3.956 1.00 3.11 O ATOM 1771 CB PRO A 109 17.934 -11.484 -1.117 1.00 2.80 C ATOM 1772 CG PRO A 109 16.575 -10.930 -1.372 1.00 2.70 C ATOM 1773 CD PRO A 109 16.684 -9.436 -1.205 1.00 2.48 C ATOM 0 HA PRO A 109 19.851 -10.385 -1.084 1.00 2.77 H new ATOM 0 HB2 PRO A 109 18.091 -12.416 -1.660 1.00 2.80 H new ATOM 0 HB3 PRO A 109 18.081 -11.702 -0.059 1.00 2.80 H new ATOM 0 HG2 PRO A 109 16.234 -11.184 -2.376 1.00 2.70 H new ATOM 0 HG3 PRO A 109 15.849 -11.347 -0.674 1.00 2.70 H new ATOM 0 HD2 PRO A 109 16.093 -8.906 -1.952 1.00 2.48 H new ATOM 0 HD3 PRO A 109 16.323 -9.116 -0.228 1.00 2.48 H new ATOM 1781 N ARG A 110 20.368 -11.250 -3.319 1.00 3.26 N ATOM 1782 CA ARG A 110 20.823 -11.515 -4.681 1.00 3.61 C ATOM 1783 C ARG A 110 20.936 -10.221 -5.484 1.00 3.87 C ATOM 1784 O ARG A 110 19.961 -9.869 -6.181 1.00 4.38 O ATOM 1785 CB ARG A 110 19.870 -12.486 -5.381 1.00 4.21 C ATOM 1786 CG ARG A 110 19.641 -13.776 -4.609 1.00 4.62 C ATOM 1787 CD ARG A 110 18.191 -13.914 -4.174 1.00 5.34 C ATOM 1788 NE ARG A 110 18.072 -14.550 -2.864 1.00 5.83 N ATOM 1789 CZ ARG A 110 17.991 -15.866 -2.687 1.00 6.55 C ATOM 1790 NH1 ARG A 110 18.016 -16.683 -3.732 1.00 6.84 N ATOM 1791 NH2 ARG A 110 17.887 -16.366 -1.463 1.00 7.27 N ATOM 1792 OXT ARG A 110 22.001 -9.573 -5.410 1.00 4.05 O ATOM 0 H ARG A 110 20.989 -11.607 -2.593 1.00 3.26 H new ATOM 0 HA ARG A 110 21.813 -11.968 -4.623 1.00 3.61 H new ATOM 0 HB2 ARG A 110 18.912 -11.991 -5.538 1.00 4.21 H new ATOM 0 HB3 ARG A 110 20.270 -12.728 -6.366 1.00 4.21 H new ATOM 0 HG2 ARG A 110 19.918 -14.627 -5.230 1.00 4.62 H new ATOM 0 HG3 ARG A 110 20.289 -13.797 -3.733 1.00 4.62 H new ATOM 0 HD2 ARG A 110 17.726 -12.928 -4.142 1.00 5.34 H new ATOM 0 HD3 ARG A 110 17.645 -14.500 -4.913 1.00 5.34 H new ATOM 0 HE ARG A 110 18.050 -13.951 -2.039 1.00 5.83 H new ATOM 0 HH11 ARG A 110 18.098 -16.303 -4.675 1.00 6.84 H new ATOM 0 HH12 ARG A 110 17.954 -17.691 -3.593 1.00 6.84 H new ATOM 0 HH21 ARG A 110 17.869 -15.741 -0.657 1.00 7.27 H new ATOM 0 HH22 ARG A 110 17.825 -17.375 -1.328 1.00 7.27 H new TER 1806 ARG A 110