USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 180:sc= 0.637 USER MOD Set 1.2: A 29 SER OG : rot -151:sc= -1.56! USER MOD Single : A 1 MET CE :methyl 148:sc= 0 (180deg=-0.00961) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.416! (180deg=-2.28!) USER MOD Single : A 12 GLN : amide:sc= -0.193 K(o=-0.19,f=-1) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -5.39! C(o=-8.1!,f=-5.4!) USER MOD Single : A 23 SER OG : rot 45:sc= 0.457 USER MOD Single : A 25 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.8!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.682 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.85) USER MOD Single : A 46 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.9!) USER MOD Single : A 48 ASN : amide:sc= -0.75 K(o=-0.75,f=-3.7!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.84 K(o=-1.8,f=-7.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 57 GLN : amide:sc= -0.0571 K(o=-0.057,f=-2!) USER MOD Single : A 59 THR OG1 : rot -74:sc= 1.36 USER MOD Single : A 61 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.93) USER MOD Single : A 64 THR OG1 : rot -81:sc= 0.0714 USER MOD Single : A 66 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-6.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.84 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.336 F(o=-1.3,f=-0.34) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.356! USER MOD Single : A 83 CYS SG : rot 180:sc= 0.15! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 108:sc= 2 USER MOD Single : A 88 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.8!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 170:sc= -2.35! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.932 -10.353 21.151 1.00 0.00 N ATOM 2 CA MET A 1 57.216 -10.233 20.410 1.00 0.00 C ATOM 3 C MET A 1 57.292 -11.358 19.379 1.00 0.00 C ATOM 4 O MET A 1 58.358 -11.635 18.827 1.00 0.00 O ATOM 5 CB MET A 1 58.389 -10.331 21.401 1.00 0.00 C ATOM 6 CG MET A 1 58.090 -11.398 22.458 1.00 0.00 C ATOM 7 SD MET A 1 56.912 -10.747 23.671 1.00 0.00 S ATOM 8 CE MET A 1 58.106 -9.919 24.748 1.00 0.00 C ATOM 0 H1 MET A 1 56.007 -9.852 22.059 1.00 0.00 H new ATOM 0 H2 MET A 1 55.165 -9.934 20.587 1.00 0.00 H new ATOM 0 H3 MET A 1 55.725 -11.357 21.326 1.00 0.00 H new ATOM 0 HA MET A 1 57.272 -9.271 19.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 59.307 -10.581 20.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 58.552 -9.366 21.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.681 -12.290 21.982 1.00 0.00 H new ATOM 0 HG3 MET A 1 59.012 -11.697 22.957 1.00 0.00 H new ATOM 0 HE1 MET A 1 57.646 -9.035 25.189 1.00 0.00 H new ATOM 0 HE2 MET A 1 58.415 -10.601 25.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 58.977 -9.622 24.164 1.00 0.00 H new ATOM 20 N ALA A 2 56.151 -12.008 19.128 1.00 0.00 N ATOM 21 CA ALA A 2 56.103 -13.112 18.164 1.00 0.00 C ATOM 22 C ALA A 2 56.766 -12.700 16.841 1.00 0.00 C ATOM 23 O ALA A 2 57.811 -13.241 16.483 1.00 0.00 O ATOM 24 CB ALA A 2 54.643 -13.578 17.940 1.00 0.00 C ATOM 0 H ALA A 2 55.259 -11.793 19.573 1.00 0.00 H new ATOM 0 HA ALA A 2 56.662 -13.954 18.572 1.00 0.00 H new ATOM 0 HB1 ALA A 2 54.629 -14.398 17.222 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.220 -13.917 18.886 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.051 -12.748 17.555 1.00 0.00 H new ATOM 30 N PRO A 3 56.200 -11.762 16.114 1.00 0.00 N ATOM 31 CA PRO A 3 56.793 -11.307 14.822 1.00 0.00 C ATOM 32 C PRO A 3 58.280 -10.955 14.979 1.00 0.00 C ATOM 33 O PRO A 3 58.683 -10.357 15.978 1.00 0.00 O ATOM 34 CB PRO A 3 55.973 -10.048 14.432 1.00 0.00 C ATOM 35 CG PRO A 3 54.928 -9.841 15.506 1.00 0.00 C ATOM 36 CD PRO A 3 54.943 -11.066 16.428 1.00 0.00 C ATOM 0 HA PRO A 3 56.748 -12.087 14.062 1.00 0.00 H new ATOM 0 HB2 PRO A 3 56.622 -9.176 14.354 1.00 0.00 H new ATOM 0 HB3 PRO A 3 55.502 -10.183 13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 3 55.140 -8.935 16.074 1.00 0.00 H new ATOM 0 HG3 PRO A 3 53.942 -9.714 15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 3 54.906 -10.771 17.477 1.00 0.00 H new ATOM 0 HD3 PRO A 3 54.081 -11.707 16.247 1.00 0.00 H new ATOM 44 N GLU A 4 59.090 -11.321 13.978 1.00 0.00 N ATOM 45 CA GLU A 4 60.531 -11.031 14.004 1.00 0.00 C ATOM 46 C GLU A 4 60.828 -9.771 13.189 1.00 0.00 C ATOM 47 O GLU A 4 59.937 -8.952 12.968 1.00 0.00 O ATOM 48 CB GLU A 4 61.322 -12.225 13.450 1.00 0.00 C ATOM 49 CG GLU A 4 60.979 -12.454 11.977 1.00 0.00 C ATOM 50 CD GLU A 4 61.709 -13.689 11.461 1.00 0.00 C ATOM 51 OE1 GLU A 4 62.509 -14.232 12.206 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.476 -14.058 10.322 1.00 0.00 O1- ATOM 0 H GLU A 4 58.775 -11.816 13.144 1.00 0.00 H new ATOM 0 HA GLU A 4 60.838 -10.860 15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.391 -12.042 13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.092 -13.121 14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 4 59.903 -12.582 11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.262 -11.581 11.389 1.00 0.00 H new ATOM 59 N VAL A 5 62.074 -9.608 12.743 1.00 0.00 N ATOM 60 CA VAL A 5 62.428 -8.421 11.963 1.00 0.00 C ATOM 61 C VAL A 5 61.599 -8.390 10.682 1.00 0.00 C ATOM 62 O VAL A 5 61.505 -9.398 9.979 1.00 0.00 O ATOM 63 CB VAL A 5 63.930 -8.443 11.619 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.394 -7.026 11.251 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.733 -8.969 12.826 1.00 0.00 C ATOM 0 H VAL A 5 62.838 -10.264 12.903 1.00 0.00 H new ATOM 0 HA VAL A 5 62.218 -7.528 12.551 1.00 0.00 H new ATOM 0 HB VAL A 5 64.098 -9.104 10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.456 -7.043 11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.830 -6.671 10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.225 -6.357 12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.794 -8.983 12.579 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.569 -8.317 13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.404 -9.979 13.070 1.00 0.00 H new ATOM 75 N THR A 6 60.969 -7.246 10.385 1.00 0.00 N ATOM 76 CA THR A 6 60.122 -7.162 9.177 1.00 0.00 C ATOM 77 C THR A 6 60.913 -6.664 7.976 1.00 0.00 C ATOM 78 O THR A 6 61.611 -5.658 8.055 1.00 0.00 O ATOM 79 CB THR A 6 58.920 -6.243 9.425 1.00 0.00 C ATOM 80 OG1 THR A 6 58.189 -6.719 10.542 1.00 0.00 O ATOM 81 CG2 THR A 6 58.011 -6.226 8.193 1.00 0.00 C ATOM 0 H THR A 6 61.022 -6.391 10.939 1.00 0.00 H new ATOM 0 HA THR A 6 59.765 -8.168 8.957 1.00 0.00 H new ATOM 0 HB THR A 6 59.276 -5.232 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.421 -6.133 10.704 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.160 -5.571 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.571 -5.859 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.654 -7.236 7.990 1.00 0.00 H new ATOM 89 N ILE A 7 60.802 -7.388 6.859 1.00 0.00 N ATOM 90 CA ILE A 7 61.513 -7.020 5.633 1.00 0.00 C ATOM 91 C ILE A 7 60.541 -6.565 4.554 1.00 0.00 C ATOM 92 O ILE A 7 59.902 -7.378 3.885 1.00 0.00 O ATOM 93 CB ILE A 7 62.296 -8.214 5.111 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.134 -8.821 6.248 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.204 -7.768 3.962 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.068 -7.765 6.857 1.00 0.00 C ATOM 0 H ILE A 7 60.229 -8.228 6.779 1.00 0.00 H new ATOM 0 HA ILE A 7 62.190 -6.200 5.872 1.00 0.00 H new ATOM 0 HB ILE A 7 61.604 -8.971 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.475 -9.219 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.721 -9.657 5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 7 63.765 -8.624 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.596 -7.353 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.898 -7.008 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.652 -8.215 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.741 -7.387 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.475 -6.942 7.257 1.00 0.00 H new ATOM 108 N LEU A 8 60.472 -5.254 4.377 1.00 0.00 N ATOM 109 CA LEU A 8 59.618 -4.641 3.362 1.00 0.00 C ATOM 110 C LEU A 8 60.467 -3.721 2.499 1.00 0.00 C ATOM 111 O LEU A 8 60.590 -2.529 2.785 1.00 0.00 O ATOM 112 CB LEU A 8 58.503 -3.832 4.034 1.00 0.00 C ATOM 113 CG LEU A 8 57.496 -3.319 2.991 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.789 -4.497 2.291 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.456 -2.444 3.705 1.00 0.00 C ATOM 0 H LEU A 8 61.005 -4.583 4.931 1.00 0.00 H new ATOM 0 HA LEU A 8 59.166 -5.418 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 8 57.989 -4.453 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.934 -2.990 4.575 1.00 0.00 H new ATOM 0 HG LEU A 8 58.024 -2.740 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.081 -4.112 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.530 -5.119 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.256 -5.093 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.734 -2.072 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.939 -3.036 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 8 56.956 -1.602 4.184 1.00 0.00 H new ATOM 127 N GLU A 9 61.067 -4.282 1.453 1.00 0.00 N ATOM 128 CA GLU A 9 61.927 -3.512 0.552 1.00 0.00 C ATOM 129 C GLU A 9 61.385 -3.565 -0.873 1.00 0.00 C ATOM 130 O GLU A 9 61.817 -4.392 -1.673 1.00 0.00 O ATOM 131 CB GLU A 9 63.343 -4.091 0.565 1.00 0.00 C ATOM 132 CG GLU A 9 63.743 -4.428 1.996 1.00 0.00 C ATOM 133 CD GLU A 9 65.195 -4.885 2.028 1.00 0.00 C ATOM 134 OE1 GLU A 9 65.768 -4.906 3.104 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.715 -5.208 0.972 1.00 0.00 O1- ATOM 0 H GLU A 9 60.975 -5.267 1.206 1.00 0.00 H new ATOM 0 HA GLU A 9 61.946 -2.477 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.387 -4.986 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 9 64.044 -3.373 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 9 63.612 -3.555 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 9 63.096 -5.212 2.390 1.00 0.00 H new ATOM 142 N PRO A 10 60.462 -2.704 -1.215 1.00 0.00 N ATOM 143 CA PRO A 10 59.886 -2.676 -2.583 1.00 0.00 C ATOM 144 C PRO A 10 60.884 -2.122 -3.602 1.00 0.00 C ATOM 145 O PRO A 10 60.541 -1.885 -4.761 1.00 0.00 O ATOM 146 CB PRO A 10 58.619 -1.800 -2.460 1.00 0.00 C ATOM 147 CG PRO A 10 58.518 -1.379 -1.012 1.00 0.00 C ATOM 148 CD PRO A 10 59.867 -1.677 -0.351 1.00 0.00 C ATOM 0 HA PRO A 10 59.645 -3.673 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.686 -0.929 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.733 -2.357 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.280 -0.318 -0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.717 -1.921 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.493 -0.786 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.741 -2.037 0.670 1.00 0.00 H new ATOM 156 N LEU A 11 62.123 -1.937 -3.159 1.00 0.00 N ATOM 157 CA LEU A 11 63.174 -1.434 -4.030 1.00 0.00 C ATOM 158 C LEU A 11 63.398 -2.402 -5.185 1.00 0.00 C ATOM 159 O LEU A 11 64.288 -3.248 -5.130 1.00 0.00 O ATOM 160 CB LEU A 11 64.475 -1.303 -3.238 1.00 0.00 C ATOM 161 CG LEU A 11 64.238 -0.437 -1.998 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.517 -0.395 -1.156 1.00 0.00 C ATOM 163 CD2 LEU A 11 63.843 0.987 -2.426 1.00 0.00 C ATOM 0 H LEU A 11 62.422 -2.128 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 11 62.875 -0.461 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.833 -2.289 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.249 -0.857 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 11 63.430 -0.864 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.351 0.221 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.784 -1.406 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.328 0.030 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.675 1.600 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.644 1.423 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 11 62.929 0.948 -3.019 1.00 0.00 H new ATOM 175 N GLN A 12 62.594 -2.272 -6.235 1.00 0.00 N ATOM 176 CA GLN A 12 62.740 -3.145 -7.393 1.00 0.00 C ATOM 177 C GLN A 12 64.001 -2.733 -8.153 1.00 0.00 C ATOM 178 O GLN A 12 65.047 -2.497 -7.548 1.00 0.00 O ATOM 179 CB GLN A 12 61.506 -3.016 -8.299 1.00 0.00 C ATOM 180 CG GLN A 12 61.395 -4.231 -9.229 1.00 0.00 C ATOM 181 CD GLN A 12 60.856 -5.437 -8.462 1.00 0.00 C ATOM 182 OE1 GLN A 12 59.947 -5.295 -7.644 1.00 0.00 O ATOM 183 NE2 GLN A 12 61.355 -6.619 -8.687 1.00 0.00 N ATOM 0 H GLN A 12 61.846 -1.582 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 12 62.826 -4.184 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 12 60.606 -2.934 -7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.575 -2.103 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 12 60.736 -3.999 -10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 12 62.373 -4.466 -9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 12 62.108 -6.734 -9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 12 60.993 -7.430 -8.185 1.00 0.00 H new ATOM 192 N ASP A 13 63.890 -2.616 -9.474 1.00 0.00 N ATOM 193 CA ASP A 13 65.018 -2.193 -10.310 1.00 0.00 C ATOM 194 C ASP A 13 64.759 -0.783 -10.834 1.00 0.00 C ATOM 195 O ASP A 13 63.637 -0.471 -11.233 1.00 0.00 O ATOM 196 CB ASP A 13 65.180 -3.164 -11.484 1.00 0.00 C ATOM 197 CG ASP A 13 65.630 -4.520 -10.960 1.00 0.00 C ATOM 198 OD1 ASP A 13 66.152 -4.560 -9.858 1.00 0.00 O ATOM 199 OD2 ASP A 13 65.440 -5.502 -11.660 1.00 0.00 O1- ATOM 0 H ASP A 13 63.032 -2.807 -9.991 1.00 0.00 H new ATOM 0 HA ASP A 13 65.933 -2.195 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.236 -3.264 -12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 13 65.910 -2.775 -12.194 1.00 0.00 H new ATOM 204 N VAL A 14 65.788 0.073 -10.839 1.00 0.00 N ATOM 205 CA VAL A 14 65.624 1.449 -11.330 1.00 0.00 C ATOM 206 C VAL A 14 66.692 1.759 -12.373 1.00 0.00 C ATOM 207 O VAL A 14 67.752 1.136 -12.396 1.00 0.00 O ATOM 208 CB VAL A 14 65.734 2.454 -10.173 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.625 2.188 -9.149 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.101 2.303 -9.506 1.00 0.00 C ATOM 0 H VAL A 14 66.728 -0.156 -10.515 1.00 0.00 H new ATOM 0 HA VAL A 14 64.635 1.537 -11.781 1.00 0.00 H new ATOM 0 HB VAL A 14 65.625 3.468 -10.558 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.707 2.903 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.653 2.296 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.726 1.176 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.185 3.014 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.208 1.289 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 14 67.886 2.499 -10.237 1.00 0.00 H new ATOM 220 N GLN A 15 66.396 2.727 -13.237 1.00 0.00 N ATOM 221 CA GLN A 15 67.322 3.136 -14.295 1.00 0.00 C ATOM 222 C GLN A 15 67.357 4.657 -14.382 1.00 0.00 C ATOM 223 O GLN A 15 66.422 5.286 -14.877 1.00 0.00 O ATOM 224 CB GLN A 15 66.874 2.550 -15.640 1.00 0.00 C ATOM 225 CG GLN A 15 67.038 1.030 -15.611 1.00 0.00 C ATOM 226 CD GLN A 15 66.523 0.415 -16.911 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.440 0.766 -17.377 1.00 0.00 O ATOM 228 NE2 GLN A 15 67.238 -0.488 -17.526 1.00 0.00 N ATOM 0 H GLN A 15 65.518 3.246 -13.226 1.00 0.00 H new ATOM 0 HA GLN A 15 68.319 2.763 -14.061 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.834 2.811 -15.835 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.466 2.975 -16.450 1.00 0.00 H new ATOM 0 HG2 GLN A 15 68.088 0.774 -15.471 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.493 0.615 -14.764 1.00 0.00 H new ATOM 0 HE21 GLN A 15 68.136 -0.778 -17.139 1.00 0.00 H new ATOM 0 HE22 GLN A 15 66.899 -0.903 -18.394 1.00 0.00 H new ATOM 237 N LEU A 16 68.438 5.245 -13.870 1.00 0.00 N ATOM 238 CA LEU A 16 68.598 6.701 -13.859 1.00 0.00 C ATOM 239 C LEU A 16 69.820 7.130 -14.670 1.00 0.00 C ATOM 240 O LEU A 16 70.866 6.488 -14.610 1.00 0.00 O ATOM 241 CB LEU A 16 68.766 7.167 -12.417 1.00 0.00 C ATOM 242 CG LEU A 16 67.521 6.794 -11.602 1.00 0.00 C ATOM 243 CD1 LEU A 16 67.796 7.069 -10.123 1.00 0.00 C ATOM 244 CD2 LEU A 16 66.307 7.620 -12.067 1.00 0.00 C ATOM 0 H LEU A 16 69.218 4.735 -13.456 1.00 0.00 H new ATOM 0 HA LEU A 16 67.713 7.151 -14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.651 6.707 -11.977 1.00 0.00 H new ATOM 0 HB3 LEU A 16 68.920 8.246 -12.389 1.00 0.00 H new ATOM 0 HG LEU A 16 67.297 5.737 -11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 16 66.917 6.807 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 16 68.645 6.470 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 16 68.023 8.126 -9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 16 65.432 7.343 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 16 66.515 8.681 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.114 7.421 -13.121 1.00 0.00 H new ATOM 256 N SER A 17 69.680 8.223 -15.417 1.00 0.00 N ATOM 257 CA SER A 17 70.783 8.728 -16.233 1.00 0.00 C ATOM 258 C SER A 17 71.904 9.291 -15.353 1.00 0.00 C ATOM 259 O SER A 17 71.664 9.724 -14.224 1.00 0.00 O ATOM 260 CB SER A 17 70.274 9.820 -17.174 1.00 0.00 C ATOM 261 OG SER A 17 69.881 10.953 -16.409 1.00 0.00 O ATOM 0 H SER A 17 68.822 8.772 -15.475 1.00 0.00 H new ATOM 0 HA SER A 17 71.184 7.898 -16.815 1.00 0.00 H new ATOM 0 HB2 SER A 17 71.054 10.098 -17.883 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.431 9.450 -17.757 1.00 0.00 H new ATOM 0 HG SER A 17 69.556 11.656 -17.009 1.00 0.00 H new ATOM 267 N GLU A 18 73.129 9.277 -15.880 1.00 0.00 N ATOM 268 CA GLU A 18 74.288 9.777 -15.139 1.00 0.00 C ATOM 269 C GLU A 18 74.181 11.280 -14.903 1.00 0.00 C ATOM 270 O GLU A 18 73.648 12.017 -15.732 1.00 0.00 O ATOM 271 CB GLU A 18 75.574 9.463 -15.910 1.00 0.00 C ATOM 272 CG GLU A 18 76.799 9.903 -15.099 1.00 0.00 C ATOM 273 CD GLU A 18 78.072 9.536 -15.853 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.132 9.806 -17.041 1.00 0.00 O ATOM 275 OE2 GLU A 18 78.966 8.984 -15.234 1.00 0.00 O1- ATOM 0 H GLU A 18 73.344 8.926 -16.813 1.00 0.00 H new ATOM 0 HA GLU A 18 74.314 9.279 -14.170 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.631 8.394 -16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.563 9.974 -16.873 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.765 10.978 -14.925 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.792 9.421 -14.121 1.00 0.00 H new ATOM 282 N GLY A 19 74.700 11.727 -13.763 1.00 0.00 N ATOM 283 CA GLY A 19 74.667 13.147 -13.413 1.00 0.00 C ATOM 284 C GLY A 19 73.403 13.495 -12.625 1.00 0.00 C ATOM 285 O GLY A 19 73.123 14.669 -12.386 1.00 0.00 O ATOM 0 H GLY A 19 75.147 11.130 -13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.548 13.399 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.710 13.749 -14.321 1.00 0.00 H new ATOM 289 N GLN A 20 72.641 12.470 -12.224 1.00 0.00 N ATOM 290 CA GLN A 20 71.399 12.680 -11.458 1.00 0.00 C ATOM 291 C GLN A 20 71.558 12.148 -10.025 1.00 0.00 C ATOM 292 O GLN A 20 72.375 11.265 -9.764 1.00 0.00 O ATOM 293 CB GLN A 20 70.212 11.989 -12.204 1.00 0.00 C ATOM 294 CG GLN A 20 69.489 10.944 -11.330 1.00 0.00 C ATOM 295 CD GLN A 20 70.436 9.787 -11.020 1.00 0.00 C ATOM 296 OE1 GLN A 20 70.430 9.247 -9.833 1.00 0.00 O flip ATOM 297 NE2 GLN A 20 71.205 9.369 -11.885 1.00 0.00 N flip ATOM 0 H GLN A 20 72.858 11.492 -12.414 1.00 0.00 H new ATOM 0 HA GLN A 20 71.185 13.746 -11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 20 69.497 12.748 -12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 20 70.587 11.506 -13.106 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.147 11.405 -10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 20 68.604 10.573 -11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 20 71.208 9.793 -12.813 1.00 0.00 H new ATOM 0 HE22 GLN A 20 71.839 8.599 -11.674 1.00 0.00 H new ATOM 306 N ASP A 21 70.744 12.678 -9.113 1.00 0.00 N ATOM 307 CA ASP A 21 70.771 12.245 -7.715 1.00 0.00 C ATOM 308 C ASP A 21 70.041 10.912 -7.538 1.00 0.00 C ATOM 309 O ASP A 21 69.032 10.657 -8.195 1.00 0.00 O ATOM 310 CB ASP A 21 70.107 13.302 -6.831 1.00 0.00 C ATOM 311 CG ASP A 21 71.012 14.520 -6.713 1.00 0.00 C ATOM 312 OD1 ASP A 21 70.583 15.501 -6.125 1.00 0.00 O ATOM 313 OD2 ASP A 21 72.115 14.460 -7.226 1.00 0.00 O1- ATOM 0 H ASP A 21 70.059 13.406 -9.316 1.00 0.00 H new ATOM 0 HA ASP A 21 71.813 12.115 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.146 13.592 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 21 69.908 12.889 -5.842 1.00 0.00 H new ATOM 318 N ALA A 22 70.544 10.071 -6.628 1.00 0.00 N ATOM 319 CA ALA A 22 69.925 8.767 -6.355 1.00 0.00 C ATOM 320 C ALA A 22 69.629 8.615 -4.868 1.00 0.00 C ATOM 321 O ALA A 22 70.360 9.126 -4.019 1.00 0.00 O ATOM 322 CB ALA A 22 70.848 7.631 -6.800 1.00 0.00 C ATOM 0 H ALA A 22 71.375 10.268 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 22 68.992 8.716 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.373 6.673 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.038 7.715 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.791 7.695 -6.258 1.00 0.00 H new ATOM 328 N SER A 23 68.544 7.908 -4.572 1.00 0.00 N ATOM 329 CA SER A 23 68.127 7.678 -3.194 1.00 0.00 C ATOM 330 C SER A 23 67.257 6.428 -3.116 1.00 0.00 C ATOM 331 O SER A 23 66.623 6.044 -4.099 1.00 0.00 O ATOM 332 CB SER A 23 67.333 8.879 -2.681 1.00 0.00 C ATOM 333 OG SER A 23 66.882 8.615 -1.357 1.00 0.00 O ATOM 0 H SER A 23 67.935 7.483 -5.271 1.00 0.00 H new ATOM 0 HA SER A 23 69.015 7.541 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.956 9.773 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.483 9.073 -3.335 1.00 0.00 H new ATOM 0 HG SER A 23 67.614 8.228 -0.833 1.00 0.00 H new ATOM 339 N PHE A 24 67.227 5.795 -1.943 1.00 0.00 N ATOM 340 CA PHE A 24 66.428 4.585 -1.746 1.00 0.00 C ATOM 341 C PHE A 24 65.620 4.679 -0.459 1.00 0.00 C ATOM 342 O PHE A 24 66.021 5.353 0.489 1.00 0.00 O ATOM 343 CB PHE A 24 67.340 3.359 -1.681 1.00 0.00 C ATOM 344 CG PHE A 24 68.035 3.179 -3.008 1.00 0.00 C ATOM 345 CD1 PHE A 24 67.293 2.782 -4.126 1.00 0.00 C ATOM 346 CD2 PHE A 24 69.414 3.403 -3.126 1.00 0.00 C ATOM 347 CE1 PHE A 24 67.928 2.605 -5.361 1.00 0.00 C ATOM 348 CE2 PHE A 24 70.047 3.227 -4.362 1.00 0.00 C ATOM 349 CZ PHE A 24 69.305 2.829 -5.480 1.00 0.00 C ATOM 0 H PHE A 24 67.744 6.098 -1.118 1.00 0.00 H new ATOM 0 HA PHE A 24 65.744 4.488 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.076 3.482 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 24 66.756 2.470 -1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 24 66.230 2.612 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 24 69.987 3.711 -2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 24 67.355 2.295 -6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 24 71.109 3.399 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.794 2.695 -6.434 1.00 0.00 H new ATOM 359 N GLN A 25 64.480 3.989 -0.430 1.00 0.00 N ATOM 360 CA GLN A 25 63.612 3.982 0.749 1.00 0.00 C ATOM 361 C GLN A 25 63.359 2.544 1.195 1.00 0.00 C ATOM 362 O GLN A 25 62.675 1.785 0.508 1.00 0.00 O ATOM 363 CB GLN A 25 62.272 4.660 0.426 1.00 0.00 C ATOM 364 CG GLN A 25 62.502 5.887 -0.469 1.00 0.00 C ATOM 365 CD GLN A 25 62.714 5.457 -1.919 1.00 0.00 C ATOM 366 OE1 GLN A 25 63.755 5.750 -2.507 1.00 0.00 O ATOM 367 NE2 GLN A 25 61.781 4.783 -2.537 1.00 0.00 N ATOM 0 H GLN A 25 64.135 3.428 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 25 64.105 4.531 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.610 3.954 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.777 4.961 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.646 6.558 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 25 63.371 6.444 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.919 4.541 -2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 25 61.915 4.499 -3.508 1.00 0.00 H new ATOM 376 N CYS A 26 63.911 2.178 2.355 1.00 0.00 N ATOM 377 CA CYS A 26 63.738 0.828 2.906 1.00 0.00 C ATOM 378 C CYS A 26 62.967 0.909 4.223 1.00 0.00 C ATOM 379 O CYS A 26 63.222 1.788 5.042 1.00 0.00 O ATOM 380 CB CYS A 26 65.108 0.172 3.151 1.00 0.00 C ATOM 381 SG CYS A 26 64.910 -1.294 4.201 1.00 0.00 S ATOM 0 H CYS A 26 64.482 2.796 2.932 1.00 0.00 H new ATOM 0 HA CYS A 26 63.180 0.223 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.562 -0.109 2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.782 0.884 3.628 1.00 0.00 H new ATOM 0 HG CYS A 26 66.071 -1.844 4.402 1.00 0.00 H new ATOM 387 N ARG A 27 62.019 -0.012 4.422 1.00 0.00 N ATOM 388 CA ARG A 27 61.209 -0.032 5.651 1.00 0.00 C ATOM 389 C ARG A 27 61.336 -1.389 6.338 1.00 0.00 C ATOM 390 O ARG A 27 61.072 -2.419 5.721 1.00 0.00 O ATOM 391 CB ARG A 27 59.737 0.190 5.297 1.00 0.00 C ATOM 392 CG ARG A 27 59.586 1.499 4.524 1.00 0.00 C ATOM 393 CD ARG A 27 58.105 1.770 4.265 1.00 0.00 C ATOM 394 NE ARG A 27 57.574 0.766 3.354 1.00 0.00 N ATOM 395 CZ ARG A 27 56.313 0.800 2.947 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.978 0.173 1.853 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.418 1.463 3.635 1.00 0.00 N ATOM 0 H ARG A 27 61.792 -0.750 3.755 1.00 0.00 H new ATOM 0 HA ARG A 27 61.563 0.756 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.367 -0.642 4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.135 0.221 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 27 60.023 2.321 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.127 1.440 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.552 1.751 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.977 2.765 3.839 1.00 0.00 H new ATOM 0 HE ARG A 27 58.186 0.020 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 27 56.683 -0.336 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 27 55.011 0.192 1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.691 1.955 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.448 1.488 3.320 1.00 0.00 H new ATOM 411 N LEU A 28 61.728 -1.407 7.619 1.00 0.00 N ATOM 412 CA LEU A 28 61.852 -2.685 8.330 1.00 0.00 C ATOM 413 C LEU A 28 61.530 -2.532 9.809 1.00 0.00 C ATOM 414 O LEU A 28 61.913 -1.547 10.436 1.00 0.00 O ATOM 415 CB LEU A 28 63.268 -3.259 8.152 1.00 0.00 C ATOM 416 CG LEU A 28 64.331 -2.287 8.731 1.00 0.00 C ATOM 417 CD1 LEU A 28 64.760 -2.733 10.138 1.00 0.00 C ATOM 418 CD2 LEU A 28 65.568 -2.271 7.824 1.00 0.00 C ATOM 0 H LEU A 28 61.958 -0.580 8.169 1.00 0.00 H new ATOM 0 HA LEU A 28 61.129 -3.378 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 63.340 -4.225 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 28 63.465 -3.433 7.094 1.00 0.00 H new ATOM 0 HG LEU A 28 63.891 -1.291 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 28 65.505 -2.040 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 28 63.892 -2.741 10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 65.187 -3.735 10.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.311 -1.587 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 28 65.990 -3.274 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 28 65.283 -1.940 6.825 1.00 0.00 H new ATOM 430 N SER A 29 60.846 -3.528 10.373 1.00 0.00 N ATOM 431 CA SER A 29 60.517 -3.486 11.790 1.00 0.00 C ATOM 432 C SER A 29 61.770 -3.776 12.587 1.00 0.00 C ATOM 433 O SER A 29 62.756 -4.277 12.044 1.00 0.00 O ATOM 434 CB SER A 29 59.411 -4.469 12.166 1.00 0.00 C ATOM 435 OG SER A 29 59.853 -5.798 11.949 1.00 0.00 O ATOM 0 H SER A 29 60.516 -4.357 9.878 1.00 0.00 H new ATOM 0 HA SER A 29 60.137 -2.491 12.021 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.133 -4.335 13.211 1.00 0.00 H new ATOM 0 HB3 SER A 29 58.519 -4.271 11.571 1.00 0.00 H new ATOM 0 HG SER A 29 59.085 -6.367 11.732 1.00 0.00 H new ATOM 441 N ARG A 30 61.729 -3.430 13.862 1.00 0.00 N ATOM 442 CA ARG A 30 62.878 -3.589 14.739 1.00 0.00 C ATOM 443 C ARG A 30 63.461 -4.990 14.715 1.00 0.00 C ATOM 444 O ARG A 30 62.833 -5.947 14.263 1.00 0.00 O ATOM 445 CB ARG A 30 62.472 -3.248 16.165 1.00 0.00 C ATOM 446 CG ARG A 30 61.323 -4.162 16.600 1.00 0.00 C ATOM 447 CD ARG A 30 60.891 -3.808 18.025 1.00 0.00 C ATOM 448 NE ARG A 30 61.915 -4.205 18.984 1.00 0.00 N ATOM 449 CZ ARG A 30 62.002 -5.464 19.407 1.00 0.00 C ATOM 450 NH1 ARG A 30 61.102 -6.338 19.051 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 62.989 -5.830 20.176 1.00 0.00 N ATOM 0 H ARG A 30 60.906 -3.034 14.316 1.00 0.00 H new ATOM 0 HA ARG A 30 63.650 -2.912 14.374 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.322 -3.370 16.836 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.164 -2.204 16.227 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.481 -4.053 15.917 1.00 0.00 H new ATOM 0 HG3 ARG A 30 61.638 -5.205 16.554 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.710 -2.736 18.100 1.00 0.00 H new ATOM 0 HD3 ARG A 30 59.951 -4.307 18.261 1.00 0.00 H new ATOM 0 HE ARG A 30 62.573 -3.509 19.335 1.00 0.00 H new ATOM 0 HH11 ARG A 30 60.329 -6.057 18.447 1.00 0.00 H new ATOM 0 HH12 ARG A 30 61.171 -7.302 19.376 1.00 0.00 H new ATOM 0 HH21 ARG A 30 63.697 -5.151 20.455 1.00 0.00 H new ATOM 0 HH22 ARG A 30 63.053 -6.795 20.499 1.00 0.00 H new ATOM 465 N ALA A 31 64.698 -5.071 15.203 1.00 0.00 N ATOM 466 CA ALA A 31 65.435 -6.321 15.247 1.00 0.00 C ATOM 467 C ALA A 31 64.848 -7.276 16.277 1.00 0.00 C ATOM 468 O ALA A 31 64.165 -6.858 17.212 1.00 0.00 O ATOM 469 CB ALA A 31 66.904 -6.044 15.565 1.00 0.00 C ATOM 0 H ALA A 31 65.211 -4.272 15.576 1.00 0.00 H new ATOM 0 HA ALA A 31 65.357 -6.796 14.269 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.453 -6.985 15.597 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.329 -5.402 14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.979 -5.547 16.532 1.00 0.00 H new ATOM 475 N SER A 32 65.109 -8.571 16.089 1.00 0.00 N ATOM 476 CA SER A 32 64.591 -9.592 17.000 1.00 0.00 C ATOM 477 C SER A 32 65.631 -10.681 17.223 1.00 0.00 C ATOM 478 O SER A 32 66.088 -10.898 18.346 1.00 0.00 O ATOM 479 CB SER A 32 63.317 -10.198 16.410 1.00 0.00 C ATOM 480 OG SER A 32 62.525 -10.734 17.462 1.00 0.00 O ATOM 0 H SER A 32 65.672 -8.935 15.320 1.00 0.00 H new ATOM 0 HA SER A 32 64.363 -9.131 17.961 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.756 -9.438 15.867 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.570 -10.980 15.694 1.00 0.00 H new ATOM 0 HG SER A 32 61.706 -11.122 17.090 1.00 0.00 H new ATOM 486 N GLY A 33 66.008 -11.358 16.144 1.00 0.00 N ATOM 487 CA GLY A 33 67.009 -12.417 16.222 1.00 0.00 C ATOM 488 C GLY A 33 68.347 -11.892 15.739 1.00 0.00 C ATOM 489 O GLY A 33 69.291 -11.753 16.519 1.00 0.00 O ATOM 0 H GLY A 33 65.638 -11.194 15.208 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.096 -12.773 17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.700 -13.268 15.614 1.00 0.00 H new ATOM 493 N GLN A 34 68.418 -11.588 14.444 1.00 0.00 N ATOM 494 CA GLN A 34 69.638 -11.055 13.848 1.00 0.00 C ATOM 495 C GLN A 34 69.350 -9.719 13.169 1.00 0.00 C ATOM 496 O GLN A 34 68.328 -9.564 12.502 1.00 0.00 O ATOM 497 CB GLN A 34 70.198 -12.056 12.834 1.00 0.00 C ATOM 498 CG GLN A 34 71.578 -11.597 12.364 1.00 0.00 C ATOM 499 CD GLN A 34 72.571 -11.655 13.522 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.557 -12.600 14.309 1.00 0.00 O ATOM 501 NE2 GLN A 34 73.426 -10.684 13.676 1.00 0.00 N ATOM 0 H GLN A 34 67.644 -11.702 13.789 1.00 0.00 H new ATOM 0 HA GLN A 34 70.378 -10.894 14.632 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.268 -13.045 13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.523 -12.141 11.982 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.922 -12.231 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 34 71.519 -10.580 11.975 1.00 0.00 H new ATOM 0 HE21 GLN A 34 73.434 -9.902 13.021 1.00 0.00 H new ATOM 0 HE22 GLN A 34 74.088 -10.705 14.452 1.00 0.00 H new ATOM 510 N GLU A 35 70.250 -8.757 13.349 1.00 0.00 N ATOM 511 CA GLU A 35 70.073 -7.436 12.753 1.00 0.00 C ATOM 512 C GLU A 35 70.476 -7.453 11.280 1.00 0.00 C ATOM 513 O GLU A 35 71.384 -8.185 10.887 1.00 0.00 O ATOM 514 CB GLU A 35 70.935 -6.417 13.502 1.00 0.00 C ATOM 515 CG GLU A 35 70.652 -5.007 12.978 1.00 0.00 C ATOM 516 CD GLU A 35 71.505 -3.994 13.735 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.629 -2.879 13.259 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.020 -4.350 14.783 1.00 0.00 O1- ATOM 0 H GLU A 35 71.103 -8.865 13.898 1.00 0.00 H new ATOM 0 HA GLU A 35 69.021 -7.159 12.827 1.00 0.00 H new ATOM 0 HB2 GLU A 35 70.725 -6.466 14.570 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.991 -6.657 13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 35 70.870 -4.955 11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.595 -4.769 13.099 1.00 0.00 H new ATOM 525 N ALA A 36 69.807 -6.639 10.470 1.00 0.00 N ATOM 526 CA ALA A 36 70.125 -6.576 9.053 1.00 0.00 C ATOM 527 C ALA A 36 71.440 -5.839 8.842 1.00 0.00 C ATOM 528 O ALA A 36 71.825 -4.997 9.653 1.00 0.00 O ATOM 529 CB ALA A 36 69.005 -5.870 8.294 1.00 0.00 C ATOM 0 H ALA A 36 69.051 -6.022 10.768 1.00 0.00 H new ATOM 0 HA ALA A 36 70.225 -7.592 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.254 -5.829 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.073 -6.419 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.887 -4.857 8.679 1.00 0.00 H new ATOM 535 N ARG A 37 72.134 -6.175 7.759 1.00 0.00 N ATOM 536 CA ARG A 37 73.423 -5.558 7.452 1.00 0.00 C ATOM 537 C ARG A 37 73.409 -4.976 6.038 1.00 0.00 C ATOM 538 O ARG A 37 72.746 -5.514 5.145 1.00 0.00 O ATOM 539 CB ARG A 37 74.508 -6.627 7.570 1.00 0.00 C ATOM 540 CG ARG A 37 74.459 -7.234 8.979 1.00 0.00 C ATOM 541 CD ARG A 37 75.479 -8.372 9.102 1.00 0.00 C ATOM 542 NE ARG A 37 76.816 -7.831 9.334 1.00 0.00 N ATOM 543 CZ ARG A 37 77.234 -7.533 10.563 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.967 -8.385 11.229 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 76.920 -6.382 11.093 1.00 0.00 N ATOM 0 H ARG A 37 71.827 -6.870 7.079 1.00 0.00 H new ATOM 0 HA ARG A 37 73.621 -4.745 8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.355 -7.403 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.489 -6.191 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 37 74.670 -6.465 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.457 -7.610 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.199 -9.033 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.475 -8.973 8.193 1.00 0.00 H new ATOM 0 HE ARG A 37 77.440 -7.679 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 37 78.220 -9.279 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.287 -8.156 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.356 -5.715 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 37 77.238 -6.150 12.034 1.00 0.00 H new ATOM 559 N TRP A 38 74.139 -3.870 5.850 1.00 0.00 N ATOM 560 CA TRP A 38 74.213 -3.187 4.549 1.00 0.00 C ATOM 561 C TRP A 38 75.553 -3.473 3.866 1.00 0.00 C ATOM 562 O TRP A 38 76.561 -3.695 4.536 1.00 0.00 O ATOM 563 CB TRP A 38 74.057 -1.661 4.771 1.00 0.00 C ATOM 564 CG TRP A 38 73.192 -1.058 3.708 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.642 -0.356 2.644 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.742 -1.094 3.593 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.559 0.042 1.884 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.367 -0.390 2.427 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.724 -1.666 4.380 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.033 -0.254 2.052 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.378 -1.532 4.005 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.034 -0.827 2.841 1.00 0.00 C ATOM 0 H TRP A 38 74.690 -3.426 6.585 1.00 0.00 H new ATOM 0 HA TRP A 38 73.413 -3.555 3.907 1.00 0.00 H new ATOM 0 HB2 TRP A 38 73.620 -1.474 5.752 1.00 0.00 H new ATOM 0 HB3 TRP A 38 75.038 -1.185 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.677 -0.142 2.424 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.632 0.589 1.026 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.980 -2.211 5.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 69.773 0.291 1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.604 -1.973 4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.997 -0.728 2.556 1.00 0.00 H new ATOM 583 N ALA A 39 75.558 -3.452 2.532 1.00 0.00 N ATOM 584 CA ALA A 39 76.786 -3.700 1.783 1.00 0.00 C ATOM 585 C ALA A 39 76.632 -3.281 0.321 1.00 0.00 C ATOM 586 O ALA A 39 75.546 -3.369 -0.244 1.00 0.00 O ATOM 587 CB ALA A 39 77.142 -5.190 1.860 1.00 0.00 C ATOM 0 H ALA A 39 74.736 -3.268 1.956 1.00 0.00 H new ATOM 0 HA ALA A 39 77.586 -3.106 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 39 78.059 -5.374 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.289 -5.476 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.331 -5.780 1.433 1.00 0.00 H new ATOM 593 N LEU A 40 77.737 -2.838 -0.285 1.00 0.00 N ATOM 594 CA LEU A 40 77.741 -2.420 -1.694 1.00 0.00 C ATOM 595 C LEU A 40 78.811 -3.204 -2.449 1.00 0.00 C ATOM 596 O LEU A 40 79.973 -3.221 -2.047 1.00 0.00 O ATOM 597 CB LEU A 40 78.041 -0.915 -1.792 1.00 0.00 C ATOM 598 CG LEU A 40 77.814 -0.408 -3.238 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.621 1.116 -3.218 1.00 0.00 C ATOM 600 CD2 LEU A 40 79.017 -0.761 -4.145 1.00 0.00 C ATOM 0 H LEU A 40 78.643 -2.759 0.177 1.00 0.00 H new ATOM 0 HA LEU A 40 76.763 -2.618 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.400 -0.365 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 40 79.071 -0.723 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 40 76.925 -0.894 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.461 1.476 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.755 1.365 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.510 1.590 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.832 -0.394 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 40 79.920 -0.296 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.148 -1.843 -4.171 1.00 0.00 H new ATOM 612 N GLY A 41 78.424 -3.857 -3.543 1.00 0.00 N ATOM 613 CA GLY A 41 79.380 -4.634 -4.326 1.00 0.00 C ATOM 614 C GLY A 41 79.622 -6.003 -3.693 1.00 0.00 C ATOM 615 O GLY A 41 80.497 -6.751 -4.128 1.00 0.00 O ATOM 0 H GLY A 41 77.470 -3.864 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.006 -4.760 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.322 -4.091 -4.398 1.00 0.00 H new ATOM 619 N GLY A 42 78.836 -6.325 -2.665 1.00 0.00 N ATOM 620 CA GLY A 42 78.964 -7.610 -1.973 1.00 0.00 C ATOM 621 C GLY A 42 79.776 -7.464 -0.691 1.00 0.00 C ATOM 622 O GLY A 42 79.808 -8.370 0.142 1.00 0.00 O ATOM 0 H GLY A 42 78.106 -5.717 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 77.974 -8.000 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.444 -8.335 -2.631 1.00 0.00 H new ATOM 626 N VAL A 43 80.440 -6.319 -0.544 1.00 0.00 N ATOM 627 CA VAL A 43 81.269 -6.047 0.637 1.00 0.00 C ATOM 628 C VAL A 43 80.652 -4.929 1.489 1.00 0.00 C ATOM 629 O VAL A 43 79.992 -4.039 0.953 1.00 0.00 O ATOM 630 CB VAL A 43 82.663 -5.606 0.175 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.462 -6.819 -0.313 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.509 -4.608 -0.974 1.00 0.00 C ATOM 0 H VAL A 43 80.422 -5.562 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 43 81.332 -6.954 1.238 1.00 0.00 H new ATOM 0 HB VAL A 43 83.192 -5.143 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.451 -6.496 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.565 -7.538 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 43 82.940 -7.287 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.494 -4.287 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.980 -5.083 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.943 -3.742 -0.630 1.00 0.00 H new ATOM 642 N PRO A 44 80.868 -4.930 2.790 1.00 0.00 N ATOM 643 CA PRO A 44 80.329 -3.851 3.668 1.00 0.00 C ATOM 644 C PRO A 44 80.832 -2.477 3.208 1.00 0.00 C ATOM 645 O PRO A 44 81.968 -2.349 2.756 1.00 0.00 O ATOM 646 CB PRO A 44 80.868 -4.168 5.085 1.00 0.00 C ATOM 647 CG PRO A 44 81.690 -5.433 4.986 1.00 0.00 C ATOM 648 CD PRO A 44 81.610 -5.955 3.541 1.00 0.00 C ATOM 0 HA PRO A 44 79.240 -3.817 3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.476 -3.344 5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 44 80.045 -4.299 5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.726 -5.234 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.315 -6.184 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.605 -6.104 3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.100 -6.917 3.500 1.00 0.00 H new ATOM 656 N LEU A 45 79.983 -1.456 3.330 1.00 0.00 N ATOM 657 CA LEU A 45 80.353 -0.091 2.928 1.00 0.00 C ATOM 658 C LEU A 45 80.402 0.847 4.141 1.00 0.00 C ATOM 659 O LEU A 45 80.013 0.467 5.245 1.00 0.00 O ATOM 660 CB LEU A 45 79.370 0.423 1.856 1.00 0.00 C ATOM 661 CG LEU A 45 78.099 1.041 2.469 1.00 0.00 C ATOM 662 CD1 LEU A 45 77.144 1.417 1.328 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.398 0.034 3.395 1.00 0.00 C ATOM 0 H LEU A 45 79.037 -1.544 3.702 1.00 0.00 H new ATOM 0 HA LEU A 45 81.354 -0.110 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.870 1.168 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.089 -0.401 1.200 1.00 0.00 H new ATOM 0 HG LEU A 45 78.373 1.920 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.237 1.857 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.629 2.138 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 76.887 0.523 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.503 0.490 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 45 77.119 -0.852 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 78.074 -0.252 4.201 1.00 0.00 H new ATOM 675 N GLN A 46 80.891 2.074 3.930 1.00 0.00 N ATOM 676 CA GLN A 46 80.986 3.063 5.013 1.00 0.00 C ATOM 677 C GLN A 46 80.384 4.393 4.568 1.00 0.00 C ATOM 678 O GLN A 46 80.645 4.868 3.462 1.00 0.00 O ATOM 679 CB GLN A 46 82.448 3.275 5.425 1.00 0.00 C ATOM 680 CG GLN A 46 82.520 4.308 6.557 1.00 0.00 C ATOM 681 CD GLN A 46 83.940 4.371 7.113 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.754 3.492 6.832 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.289 5.357 7.896 1.00 0.00 N ATOM 0 H GLN A 46 81.226 2.406 3.025 1.00 0.00 H new ATOM 0 HA GLN A 46 80.429 2.683 5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.885 2.331 5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 46 83.031 3.617 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.222 5.288 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.821 4.041 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 46 83.615 6.086 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.236 5.398 8.274 1.00 0.00 H new ATOM 692 N ALA A 47 79.568 4.981 5.438 1.00 0.00 N ATOM 693 CA ALA A 47 78.918 6.251 5.134 1.00 0.00 C ATOM 694 C ALA A 47 79.927 7.288 4.656 1.00 0.00 C ATOM 695 O ALA A 47 80.572 7.961 5.463 1.00 0.00 O ATOM 696 CB ALA A 47 78.201 6.775 6.376 1.00 0.00 C ATOM 0 H ALA A 47 79.342 4.599 6.356 1.00 0.00 H new ATOM 0 HA ALA A 47 78.198 6.078 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.717 7.724 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.449 6.053 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 47 78.924 6.923 7.178 1.00 0.00 H new ATOM 702 N ASN A 48 80.051 7.420 3.339 1.00 0.00 N ATOM 703 CA ASN A 48 80.974 8.387 2.759 1.00 0.00 C ATOM 704 C ASN A 48 80.406 9.790 2.889 1.00 0.00 C ATOM 705 O ASN A 48 79.243 9.970 3.248 1.00 0.00 O ATOM 706 CB ASN A 48 81.215 8.062 1.283 1.00 0.00 C ATOM 707 CG ASN A 48 82.296 8.971 0.702 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.275 9.290 1.377 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.170 9.414 -0.521 1.00 0.00 N ATOM 0 H ASN A 48 79.526 6.872 2.657 1.00 0.00 H new ATOM 0 HA ASN A 48 81.922 8.334 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.515 7.019 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.289 8.185 0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 48 82.884 10.025 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 48 81.358 9.148 -1.078 1.00 0.00 H new ATOM 716 N GLU A 49 81.225 10.787 2.598 1.00 0.00 N ATOM 717 CA GLU A 49 80.765 12.158 2.693 1.00 0.00 C ATOM 718 C GLU A 49 79.562 12.345 1.775 1.00 0.00 C ATOM 719 O GLU A 49 78.553 12.931 2.162 1.00 0.00 O ATOM 720 CB GLU A 49 81.881 13.115 2.276 1.00 0.00 C ATOM 721 CG GLU A 49 83.057 13.003 3.255 1.00 0.00 C ATOM 722 CD GLU A 49 82.642 13.476 4.645 1.00 0.00 C ATOM 723 OE1 GLU A 49 82.875 12.743 5.591 1.00 0.00 O ATOM 724 OE2 GLU A 49 82.105 14.568 4.744 1.00 0.00 O1- ATOM 0 H GLU A 49 82.194 10.675 2.300 1.00 0.00 H new ATOM 0 HA GLU A 49 80.482 12.374 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.214 12.880 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.507 14.139 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.400 11.970 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.895 13.601 2.896 1.00 0.00 H new ATOM 731 N MET A 50 79.682 11.824 0.557 1.00 0.00 N ATOM 732 CA MET A 50 78.602 11.915 -0.421 1.00 0.00 C ATOM 733 C MET A 50 77.402 11.075 0.021 1.00 0.00 C ATOM 734 O MET A 50 76.250 11.468 -0.171 1.00 0.00 O ATOM 735 CB MET A 50 79.094 11.418 -1.787 1.00 0.00 C ATOM 736 CG MET A 50 80.235 12.311 -2.290 1.00 0.00 C ATOM 737 SD MET A 50 79.612 13.973 -2.639 1.00 0.00 S ATOM 738 CE MET A 50 81.080 14.582 -3.509 1.00 0.00 C ATOM 0 H MET A 50 80.514 11.336 0.224 1.00 0.00 H new ATOM 0 HA MET A 50 78.294 12.958 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 50 79.437 10.387 -1.706 1.00 0.00 H new ATOM 0 HB3 MET A 50 78.273 11.425 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 50 81.026 12.360 -1.542 1.00 0.00 H new ATOM 0 HG3 MET A 50 80.674 11.882 -3.191 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.916 15.613 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 50 81.942 14.538 -2.843 1.00 0.00 H new ATOM 0 HE3 MET A 50 81.267 13.962 -4.385 1.00 0.00 H new ATOM 748 N ASN A 51 77.686 9.904 0.595 1.00 0.00 N ATOM 749 CA ASN A 51 76.637 8.983 1.048 1.00 0.00 C ATOM 750 C ASN A 51 76.387 9.104 2.550 1.00 0.00 C ATOM 751 O ASN A 51 77.189 8.640 3.356 1.00 0.00 O ATOM 752 CB ASN A 51 77.064 7.549 0.752 1.00 0.00 C ATOM 753 CG ASN A 51 75.925 6.586 1.057 1.00 0.00 C ATOM 754 OD1 ASN A 51 74.960 6.949 1.731 1.00 0.00 O ATOM 755 ND2 ASN A 51 75.984 5.365 0.601 1.00 0.00 N ATOM 0 H ASN A 51 78.635 9.569 0.758 1.00 0.00 H new ATOM 0 HA ASN A 51 75.720 9.241 0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.356 7.458 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 51 77.938 7.291 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 51 75.230 4.708 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 51 76.784 5.067 0.043 1.00 0.00 H new ATOM 762 N ASP A 52 75.260 9.706 2.916 1.00 0.00 N ATOM 763 CA ASP A 52 74.891 9.863 4.323 1.00 0.00 C ATOM 764 C ASP A 52 73.715 8.941 4.654 1.00 0.00 C ATOM 765 O ASP A 52 72.590 9.178 4.220 1.00 0.00 O ATOM 766 CB ASP A 52 74.503 11.321 4.581 1.00 0.00 C ATOM 767 CG ASP A 52 75.713 12.221 4.359 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.597 13.152 3.581 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.739 11.958 4.964 1.00 0.00 O1- ATOM 0 H ASP A 52 74.584 10.094 2.258 1.00 0.00 H new ATOM 0 HA ASP A 52 75.737 9.596 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.692 11.615 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.135 11.435 5.601 1.00 0.00 H new ATOM 774 N ILE A 53 73.976 7.881 5.417 1.00 0.00 N ATOM 775 CA ILE A 53 72.923 6.924 5.783 1.00 0.00 C ATOM 776 C ILE A 53 72.439 7.201 7.206 1.00 0.00 C ATOM 777 O ILE A 53 73.252 7.405 8.105 1.00 0.00 O ATOM 778 CB ILE A 53 73.471 5.497 5.701 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.109 5.276 4.329 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.322 4.505 5.879 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.645 3.844 4.230 1.00 0.00 C ATOM 0 H ILE A 53 74.898 7.661 5.793 1.00 0.00 H new ATOM 0 HA ILE A 53 72.088 7.034 5.091 1.00 0.00 H new ATOM 0 HB ILE A 53 74.216 5.348 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.375 5.454 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 53 74.919 5.989 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 53 72.708 3.487 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.854 4.661 6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.584 4.658 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.098 3.692 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.393 3.681 5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.825 3.139 4.363 1.00 0.00 H new ATOM 793 N THR A 54 71.114 7.227 7.414 1.00 0.00 N ATOM 794 CA THR A 54 70.583 7.508 8.759 1.00 0.00 C ATOM 795 C THR A 54 69.287 6.748 9.055 1.00 0.00 C ATOM 796 O THR A 54 68.577 6.320 8.146 1.00 0.00 O ATOM 797 CB THR A 54 70.323 9.008 8.909 1.00 0.00 C ATOM 798 OG1 THR A 54 69.717 9.247 10.169 1.00 0.00 O ATOM 799 CG2 THR A 54 69.386 9.488 7.798 1.00 0.00 C ATOM 0 H THR A 54 70.409 7.063 6.695 1.00 0.00 H new ATOM 0 HA THR A 54 71.335 7.171 9.472 1.00 0.00 H new ATOM 0 HB THR A 54 71.267 9.549 8.839 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.548 10.207 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.205 10.557 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.845 9.298 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.440 8.951 7.863 1.00 0.00 H new ATOM 807 N VAL A 55 68.990 6.605 10.355 1.00 0.00 N ATOM 808 CA VAL A 55 67.777 5.917 10.821 1.00 0.00 C ATOM 809 C VAL A 55 66.809 6.943 11.406 1.00 0.00 C ATOM 810 O VAL A 55 67.224 7.851 12.131 1.00 0.00 O ATOM 811 CB VAL A 55 68.133 4.870 11.886 1.00 0.00 C ATOM 812 CG1 VAL A 55 66.871 4.139 12.355 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.101 3.849 11.292 1.00 0.00 C ATOM 0 H VAL A 55 69.579 6.960 11.108 1.00 0.00 H new ATOM 0 HA VAL A 55 67.308 5.409 9.978 1.00 0.00 H new ATOM 0 HB VAL A 55 68.594 5.377 12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 67.138 3.400 13.110 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.172 4.858 12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.404 3.639 11.507 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.354 3.105 12.048 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.632 3.356 10.440 1.00 0.00 H new ATOM 0 HG23 VAL A 55 70.008 4.356 10.964 1.00 0.00 H new ATOM 823 N GLU A 56 65.521 6.804 11.087 1.00 0.00 N ATOM 824 CA GLU A 56 64.506 7.735 11.586 1.00 0.00 C ATOM 825 C GLU A 56 63.524 7.005 12.487 1.00 0.00 C ATOM 826 O GLU A 56 63.678 5.806 12.732 1.00 0.00 O ATOM 827 CB GLU A 56 63.748 8.386 10.417 1.00 0.00 C ATOM 828 CG GLU A 56 64.686 9.307 9.629 1.00 0.00 C ATOM 829 CD GLU A 56 65.124 10.479 10.503 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.456 10.739 11.489 1.00 0.00 O ATOM 831 OE2 GLU A 56 66.120 11.101 10.168 1.00 0.00 O1- ATOM 0 H GLU A 56 65.157 6.061 10.490 1.00 0.00 H new ATOM 0 HA GLU A 56 65.009 8.515 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.346 7.615 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.900 8.956 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.559 8.748 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.181 9.677 8.737 1.00 0.00 H new ATOM 838 N GLN A 57 62.530 7.744 12.983 1.00 0.00 N ATOM 839 CA GLN A 57 61.505 7.195 13.878 1.00 0.00 C ATOM 840 C GLN A 57 61.304 5.691 13.670 1.00 0.00 C ATOM 841 O GLN A 57 61.414 5.192 12.551 1.00 0.00 O ATOM 842 CB GLN A 57 60.183 7.928 13.643 1.00 0.00 C ATOM 843 CG GLN A 57 59.114 7.375 14.587 1.00 0.00 C ATOM 844 CD GLN A 57 57.867 8.255 14.529 1.00 0.00 C ATOM 845 OE1 GLN A 57 57.935 9.396 14.073 1.00 0.00 O ATOM 846 NE2 GLN A 57 56.725 7.794 14.966 1.00 0.00 N ATOM 0 H GLN A 57 62.411 8.736 12.778 1.00 0.00 H new ATOM 0 HA GLN A 57 61.844 7.342 14.904 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.313 8.997 13.812 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.867 7.805 12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 57 58.862 6.352 14.306 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.499 7.340 15.606 1.00 0.00 H new ATOM 0 HE21 GLN A 57 56.668 6.848 15.344 1.00 0.00 H new ATOM 0 HE22 GLN A 57 55.891 8.380 14.929 1.00 0.00 H new ATOM 855 N GLY A 58 61.022 4.973 14.754 1.00 0.00 N ATOM 856 CA GLY A 58 60.826 3.532 14.663 1.00 0.00 C ATOM 857 C GLY A 58 62.074 2.860 14.101 1.00 0.00 C ATOM 858 O GLY A 58 63.005 2.541 14.841 1.00 0.00 O ATOM 0 H GLY A 58 60.925 5.360 15.693 1.00 0.00 H new ATOM 0 HA2 GLY A 58 60.600 3.126 15.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.970 3.315 14.025 1.00 0.00 H new ATOM 862 N THR A 59 62.085 2.641 12.789 1.00 0.00 N ATOM 863 CA THR A 59 63.228 2.000 12.148 1.00 0.00 C ATOM 864 C THR A 59 63.158 2.151 10.624 1.00 0.00 C ATOM 865 O THR A 59 63.124 1.163 9.875 1.00 0.00 O ATOM 866 CB THR A 59 63.262 0.523 12.546 1.00 0.00 C ATOM 867 OG1 THR A 59 63.971 -0.225 11.569 1.00 0.00 O ATOM 868 CG2 THR A 59 61.834 0.005 12.652 1.00 0.00 C ATOM 0 H THR A 59 61.326 2.894 12.156 1.00 0.00 H new ATOM 0 HA THR A 59 64.145 2.486 12.483 1.00 0.00 H new ATOM 0 HB THR A 59 63.766 0.415 13.507 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.416 -0.325 10.767 1.00 0.00 H new ATOM 0 HG21 THR A 59 61.849 -1.047 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 59 61.295 0.577 13.407 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.335 0.115 11.689 1.00 0.00 H new ATOM 876 N LEU A 60 63.142 3.410 10.184 1.00 0.00 N ATOM 877 CA LEU A 60 63.096 3.743 8.758 1.00 0.00 C ATOM 878 C LEU A 60 64.512 4.094 8.278 1.00 0.00 C ATOM 879 O LEU A 60 65.208 4.892 8.911 1.00 0.00 O ATOM 880 CB LEU A 60 62.143 4.932 8.538 1.00 0.00 C ATOM 881 CG LEU A 60 60.670 4.465 8.539 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.332 3.723 7.234 1.00 0.00 C ATOM 883 CD2 LEU A 60 60.413 3.541 9.740 1.00 0.00 C ATOM 0 H LEU A 60 63.160 4.223 10.800 1.00 0.00 H new ATOM 0 HA LEU A 60 62.728 2.891 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.294 5.674 9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.374 5.418 7.590 1.00 0.00 H new ATOM 0 HG LEU A 60 60.032 5.345 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.290 3.403 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.489 4.389 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.977 2.850 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.372 3.216 9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.065 2.670 9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.619 4.080 10.665 1.00 0.00 H new ATOM 895 N HIS A 61 64.941 3.487 7.166 1.00 0.00 N ATOM 896 CA HIS A 61 66.285 3.733 6.617 1.00 0.00 C ATOM 897 C HIS A 61 66.192 4.576 5.354 1.00 0.00 C ATOM 898 O HIS A 61 65.269 4.417 4.555 1.00 0.00 O ATOM 899 CB HIS A 61 66.973 2.402 6.285 1.00 0.00 C ATOM 900 CG HIS A 61 67.370 1.690 7.552 1.00 0.00 C ATOM 901 ND1 HIS A 61 66.452 1.041 8.365 1.00 0.00 N ATOM 902 CD2 HIS A 61 68.592 1.507 8.151 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.132 0.505 9.398 1.00 0.00 C ATOM 904 NE2 HIS A 61 68.440 0.758 9.315 1.00 0.00 N ATOM 0 H HIS A 61 64.382 2.824 6.628 1.00 0.00 H new ATOM 0 HA HIS A 61 66.869 4.267 7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.301 1.773 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.854 2.584 5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.531 1.887 7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.674 -0.061 10.196 1.00 0.00 H new ATOM 0 HE2 HIS A 61 69.171 0.466 9.964 1.00 0.00 H new ATOM 912 N LEU A 62 67.157 5.477 5.172 1.00 0.00 N ATOM 913 CA LEU A 62 67.172 6.344 4.003 1.00 0.00 C ATOM 914 C LEU A 62 68.580 6.462 3.454 1.00 0.00 C ATOM 915 O LEU A 62 69.488 6.952 4.138 1.00 0.00 O ATOM 916 CB LEU A 62 66.678 7.748 4.365 1.00 0.00 C ATOM 917 CG LEU A 62 65.224 7.710 4.889 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.210 7.512 6.420 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.530 9.038 4.550 1.00 0.00 C ATOM 0 H LEU A 62 67.933 5.622 5.818 1.00 0.00 H new ATOM 0 HA LEU A 62 66.513 5.903 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 62 67.330 8.182 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 62 66.735 8.394 3.489 1.00 0.00 H new ATOM 0 HG LEU A 62 64.700 6.879 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 62 64.179 7.487 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 62 65.702 6.572 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.738 8.337 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 62 63.504 9.017 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.067 9.860 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 62 64.525 9.181 3.469 1.00 0.00 H new ATOM 931 N LEU A 63 68.750 6.028 2.209 1.00 0.00 N ATOM 932 CA LEU A 63 70.044 6.104 1.550 1.00 0.00 C ATOM 933 C LEU A 63 70.104 7.408 0.760 1.00 0.00 C ATOM 934 O LEU A 63 69.436 7.553 -0.264 1.00 0.00 O ATOM 935 CB LEU A 63 70.220 4.883 0.620 1.00 0.00 C ATOM 936 CG LEU A 63 71.708 4.520 0.412 1.00 0.00 C ATOM 937 CD1 LEU A 63 72.559 5.773 0.175 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.241 3.733 1.630 1.00 0.00 C ATOM 0 H LEU A 63 68.008 5.621 1.639 1.00 0.00 H new ATOM 0 HA LEU A 63 70.852 6.091 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.694 4.027 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 69.760 5.094 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 63 71.780 3.892 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 63 73.600 5.484 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 63 72.202 6.293 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.481 6.434 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.290 3.483 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.145 4.344 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.664 2.816 1.752 1.00 0.00 H new ATOM 950 N THR A 64 70.900 8.360 1.241 1.00 0.00 N ATOM 951 CA THR A 64 71.032 9.652 0.566 1.00 0.00 C ATOM 952 C THR A 64 72.339 9.701 -0.206 1.00 0.00 C ATOM 953 O THR A 64 73.396 9.992 0.351 1.00 0.00 O ATOM 954 CB THR A 64 70.999 10.792 1.588 1.00 0.00 C ATOM 955 OG1 THR A 64 72.084 10.644 2.492 1.00 0.00 O ATOM 956 CG2 THR A 64 69.680 10.753 2.358 1.00 0.00 C ATOM 0 H THR A 64 71.460 8.264 2.088 1.00 0.00 H new ATOM 0 HA THR A 64 70.197 9.770 -0.125 1.00 0.00 H new ATOM 0 HB THR A 64 71.084 11.748 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 64 71.853 9.980 3.174 1.00 0.00 H new ATOM 0 HG21 THR A 64 69.659 11.565 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 64 68.849 10.867 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.590 9.799 2.877 1.00 0.00 H new ATOM 964 N LEU A 65 72.251 9.409 -1.500 1.00 0.00 N ATOM 965 CA LEU A 65 73.428 9.415 -2.367 1.00 0.00 C ATOM 966 C LEU A 65 73.451 10.676 -3.230 1.00 0.00 C ATOM 967 O LEU A 65 72.491 10.967 -3.943 1.00 0.00 O ATOM 968 CB LEU A 65 73.397 8.180 -3.270 1.00 0.00 C ATOM 969 CG LEU A 65 74.712 8.073 -4.060 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.903 7.845 -3.104 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.612 6.912 -5.058 1.00 0.00 C ATOM 0 H LEU A 65 71.380 9.166 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 65 74.324 9.400 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.251 7.283 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 65 72.554 8.243 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 65 74.878 9.006 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.824 7.772 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.976 8.681 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.750 6.921 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 65 75.543 6.834 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.435 5.982 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.787 7.094 -5.747 1.00 0.00 H new ATOM 983 N HIS A 66 74.553 11.420 -3.149 1.00 0.00 N ATOM 984 CA HIS A 66 74.705 12.660 -3.912 1.00 0.00 C ATOM 985 C HIS A 66 74.888 12.378 -5.407 1.00 0.00 C ATOM 986 O HIS A 66 74.422 11.360 -5.919 1.00 0.00 O ATOM 987 CB HIS A 66 75.919 13.435 -3.377 1.00 0.00 C ATOM 988 CG HIS A 66 75.777 14.894 -3.704 1.00 0.00 C ATOM 989 ND1 HIS A 66 74.812 15.357 -4.580 1.00 0.00 N ATOM 990 CD2 HIS A 66 76.452 16.006 -3.266 1.00 0.00 C ATOM 991 CE1 HIS A 66 74.925 16.696 -4.639 1.00 0.00 C ATOM 992 NE2 HIS A 66 75.910 17.144 -3.855 1.00 0.00 N ATOM 0 H HIS A 66 75.354 11.186 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 66 73.798 13.253 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.001 13.301 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 66 76.835 13.042 -3.817 1.00 0.00 H new ATOM 0 HD2 HIS A 66 77.278 15.999 -2.570 1.00 0.00 H new ATOM 0 HE1 HIS A 66 74.297 17.331 -5.246 1.00 0.00 H new ATOM 0 HE2 HIS A 66 76.202 18.112 -3.718 1.00 0.00 H new ATOM 1000 N LYS A 67 75.572 13.294 -6.097 1.00 0.00 N ATOM 1001 CA LYS A 67 75.815 13.143 -7.529 1.00 0.00 C ATOM 1002 C LYS A 67 76.467 11.798 -7.817 1.00 0.00 C ATOM 1003 O LYS A 67 77.681 11.642 -7.691 1.00 0.00 O ATOM 1004 CB LYS A 67 76.725 14.270 -8.022 1.00 0.00 C ATOM 1005 CG LYS A 67 75.941 15.587 -8.044 1.00 0.00 C ATOM 1006 CD LYS A 67 76.876 16.743 -8.434 1.00 0.00 C ATOM 1007 CE LYS A 67 77.915 17.014 -7.320 1.00 0.00 C ATOM 1008 NZ LYS A 67 79.261 16.594 -7.802 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.964 14.142 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 67 74.860 13.192 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 67 77.593 14.362 -7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 67 77.099 14.040 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 67 75.117 15.518 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 67 75.503 15.776 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 67 77.390 16.502 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 67 76.290 17.644 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 67 77.921 18.073 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 67 77.650 16.465 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 79.967 16.772 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 79.247 15.579 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 79.510 17.137 -8.654 1.00 0.00 H new ATOM 1022 N VAL A 68 75.646 10.829 -8.200 1.00 0.00 N ATOM 1023 CA VAL A 68 76.140 9.489 -8.499 1.00 0.00 C ATOM 1024 C VAL A 68 77.187 9.532 -9.607 1.00 0.00 C ATOM 1025 O VAL A 68 77.362 10.549 -10.278 1.00 0.00 O ATOM 1026 CB VAL A 68 74.966 8.574 -8.909 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.588 8.810 -10.382 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.357 7.101 -8.724 1.00 0.00 C ATOM 0 H VAL A 68 74.639 10.944 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 68 76.610 9.086 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 68 74.112 8.811 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.759 8.157 -10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.291 9.850 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.446 8.591 -11.017 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.522 6.464 -9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 68 76.222 6.873 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.604 6.919 -7.678 1.00 0.00 H new ATOM 1038 N THR A 69 77.873 8.411 -9.791 1.00 0.00 N ATOM 1039 CA THR A 69 78.898 8.288 -10.818 1.00 0.00 C ATOM 1040 C THR A 69 78.705 6.965 -11.557 1.00 0.00 C ATOM 1041 O THR A 69 78.058 6.051 -11.045 1.00 0.00 O ATOM 1042 CB THR A 69 80.281 8.347 -10.162 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.452 7.212 -9.321 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.390 9.620 -9.320 1.00 0.00 C ATOM 0 H THR A 69 77.735 7.566 -9.236 1.00 0.00 H new ATOM 0 HA THR A 69 78.818 9.106 -11.534 1.00 0.00 H new ATOM 0 HB THR A 69 81.051 8.352 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.337 7.246 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.374 9.664 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.253 10.492 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 69 79.621 9.612 -8.548 1.00 0.00 H new ATOM 1052 N LEU A 70 79.256 6.863 -12.755 1.00 0.00 N ATOM 1053 CA LEU A 70 79.117 5.644 -13.540 1.00 0.00 C ATOM 1054 C LEU A 70 79.685 4.463 -12.757 1.00 0.00 C ATOM 1055 O LEU A 70 79.114 3.372 -12.746 1.00 0.00 O ATOM 1056 CB LEU A 70 79.878 5.812 -14.858 1.00 0.00 C ATOM 1057 CG LEU A 70 79.676 4.584 -15.751 1.00 0.00 C ATOM 1058 CD1 LEU A 70 78.198 4.479 -16.184 1.00 0.00 C ATOM 1059 CD2 LEU A 70 80.588 4.712 -16.975 1.00 0.00 C ATOM 0 H LEU A 70 79.799 7.601 -13.203 1.00 0.00 H new ATOM 0 HA LEU A 70 78.064 5.455 -13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.530 6.707 -15.375 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.940 5.953 -14.657 1.00 0.00 H new ATOM 0 HG LEU A 70 79.931 3.678 -15.201 1.00 0.00 H new ATOM 0 HD11 LEU A 70 78.066 3.603 -16.818 1.00 0.00 H new ATOM 0 HD12 LEU A 70 77.566 4.386 -15.301 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.917 5.374 -16.739 1.00 0.00 H new ATOM 0 HD21 LEU A 70 80.455 3.844 -17.620 1.00 0.00 H new ATOM 0 HD22 LEU A 70 80.332 5.617 -17.526 1.00 0.00 H new ATOM 0 HD23 LEU A 70 81.627 4.767 -16.650 1.00 0.00 H new ATOM 1071 N GLU A 71 80.809 4.705 -12.103 1.00 0.00 N ATOM 1072 CA GLU A 71 81.476 3.682 -11.304 1.00 0.00 C ATOM 1073 C GLU A 71 80.681 3.343 -10.043 1.00 0.00 C ATOM 1074 O GLU A 71 80.712 2.208 -9.569 1.00 0.00 O ATOM 1075 CB GLU A 71 82.866 4.178 -10.908 1.00 0.00 C ATOM 1076 CG GLU A 71 83.770 4.214 -12.140 1.00 0.00 C ATOM 1077 CD GLU A 71 85.119 4.815 -11.765 1.00 0.00 C ATOM 1078 OE1 GLU A 71 85.937 4.987 -12.653 1.00 0.00 O ATOM 1079 OE2 GLU A 71 85.311 5.097 -10.594 1.00 0.00 O1- ATOM 0 H GLU A 71 81.284 5.607 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 71 81.552 2.778 -11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.796 5.172 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 71 83.294 3.523 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.906 3.207 -12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.304 4.804 -12.929 1.00 0.00 H new ATOM 1086 N ASP A 72 79.995 4.337 -9.490 1.00 0.00 N ATOM 1087 CA ASP A 72 79.219 4.135 -8.269 1.00 0.00 C ATOM 1088 C ASP A 72 78.073 3.145 -8.508 1.00 0.00 C ATOM 1089 O ASP A 72 77.787 2.304 -7.658 1.00 0.00 O ATOM 1090 CB ASP A 72 78.657 5.487 -7.790 1.00 0.00 C ATOM 1091 CG ASP A 72 79.684 6.242 -6.940 1.00 0.00 C ATOM 1092 OD1 ASP A 72 80.725 5.680 -6.645 1.00 0.00 O ATOM 1093 OD2 ASP A 72 79.410 7.383 -6.603 1.00 0.00 O1- ATOM 0 H ASP A 72 79.959 5.285 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 72 79.873 3.718 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 72 78.377 6.094 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.750 5.322 -7.208 1.00 0.00 H new ATOM 1098 N ALA A 73 77.418 3.247 -9.662 1.00 0.00 N ATOM 1099 CA ALA A 73 76.315 2.349 -9.971 1.00 0.00 C ATOM 1100 C ALA A 73 76.801 0.904 -9.991 1.00 0.00 C ATOM 1101 O ALA A 73 77.894 0.616 -10.475 1.00 0.00 O ATOM 1102 CB ALA A 73 75.702 2.713 -11.324 1.00 0.00 C ATOM 0 H ALA A 73 77.629 3.933 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 73 75.553 2.454 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 74.878 2.034 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 73 75.330 3.737 -11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 73 76.461 2.627 -12.102 1.00 0.00 H new ATOM 1108 N GLY A 74 75.982 0.002 -9.453 1.00 0.00 N ATOM 1109 CA GLY A 74 76.340 -1.413 -9.402 1.00 0.00 C ATOM 1110 C GLY A 74 75.194 -2.255 -8.844 1.00 0.00 C ATOM 1111 O GLY A 74 74.183 -2.462 -9.515 1.00 0.00 O ATOM 0 H GLY A 74 75.072 0.224 -9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.597 -1.762 -10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.226 -1.544 -8.781 1.00 0.00 H new ATOM 1115 N THR A 75 75.360 -2.746 -7.617 1.00 0.00 N ATOM 1116 CA THR A 75 74.328 -3.570 -6.990 1.00 0.00 C ATOM 1117 C THR A 75 74.438 -3.538 -5.466 1.00 0.00 C ATOM 1118 O THR A 75 75.359 -4.125 -4.895 1.00 0.00 O ATOM 1119 CB THR A 75 74.465 -5.022 -7.461 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.304 -5.088 -8.871 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.393 -5.882 -6.793 1.00 0.00 C ATOM 0 H THR A 75 76.189 -2.590 -7.043 1.00 0.00 H new ATOM 0 HA THR A 75 73.359 -3.165 -7.282 1.00 0.00 H new ATOM 0 HB THR A 75 75.454 -5.392 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.394 -6.018 -9.167 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.493 -6.914 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.515 -5.840 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.406 -5.506 -7.062 1.00 0.00 H new ATOM 1129 N VAL A 76 73.479 -2.887 -4.801 1.00 0.00 N ATOM 1130 CA VAL A 76 73.488 -2.846 -3.337 1.00 0.00 C ATOM 1131 C VAL A 76 72.719 -4.051 -2.820 1.00 0.00 C ATOM 1132 O VAL A 76 71.596 -4.309 -3.250 1.00 0.00 O ATOM 1133 CB VAL A 76 72.851 -1.556 -2.805 1.00 0.00 C ATOM 1134 CG1 VAL A 76 73.132 -1.437 -1.305 1.00 0.00 C ATOM 1135 CG2 VAL A 76 73.455 -0.348 -3.525 1.00 0.00 C ATOM 0 H VAL A 76 72.703 -2.392 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 76 74.521 -2.869 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 76 71.776 -1.584 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.681 -0.521 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.706 -2.296 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 76 74.209 -1.409 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 76 73.000 0.567 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.530 -0.319 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 76 73.265 -0.430 -4.595 1.00 0.00 H new ATOM 1145 N SER A 77 73.341 -4.807 -1.923 1.00 0.00 N ATOM 1146 CA SER A 77 72.721 -6.015 -1.383 1.00 0.00 C ATOM 1147 C SER A 77 72.843 -6.076 0.137 1.00 0.00 C ATOM 1148 O SER A 77 73.833 -5.631 0.717 1.00 0.00 O ATOM 1149 CB SER A 77 73.406 -7.235 -2.000 1.00 0.00 C ATOM 1150 OG SER A 77 72.749 -8.417 -1.568 1.00 0.00 O ATOM 0 H SER A 77 74.271 -4.608 -1.554 1.00 0.00 H new ATOM 0 HA SER A 77 71.660 -6.003 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.380 -7.169 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.456 -7.262 -1.708 1.00 0.00 H new ATOM 0 HG SER A 77 73.187 -9.199 -1.965 1.00 0.00 H new ATOM 1156 N PHE A 78 71.817 -6.648 0.767 1.00 0.00 N ATOM 1157 CA PHE A 78 71.777 -6.796 2.221 1.00 0.00 C ATOM 1158 C PHE A 78 71.177 -8.153 2.578 1.00 0.00 C ATOM 1159 O PHE A 78 70.484 -8.777 1.767 1.00 0.00 O ATOM 1160 CB PHE A 78 70.950 -5.651 2.859 1.00 0.00 C ATOM 1161 CG PHE A 78 69.996 -5.066 1.838 1.00 0.00 C ATOM 1162 CD1 PHE A 78 70.010 -3.689 1.574 1.00 0.00 C ATOM 1163 CD2 PHE A 78 69.101 -5.898 1.153 1.00 0.00 C ATOM 1164 CE1 PHE A 78 69.134 -3.148 0.626 1.00 0.00 C ATOM 1165 CE2 PHE A 78 68.225 -5.353 0.205 1.00 0.00 C ATOM 1166 CZ PHE A 78 68.240 -3.980 -0.055 1.00 0.00 C ATOM 0 H PHE A 78 70.996 -7.019 0.288 1.00 0.00 H new ATOM 0 HA PHE A 78 72.792 -6.740 2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.391 -6.029 3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 78 71.617 -4.874 3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 78 70.697 -3.045 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.086 -6.959 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.149 -2.088 0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.537 -5.995 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.561 -3.561 -0.783 1.00 0.00 H new ATOM 1176 N HIS A 79 71.458 -8.614 3.794 1.00 0.00 N ATOM 1177 CA HIS A 79 70.955 -9.911 4.245 1.00 0.00 C ATOM 1178 C HIS A 79 70.590 -9.870 5.720 1.00 0.00 C ATOM 1179 O HIS A 79 71.221 -9.171 6.511 1.00 0.00 O ATOM 1180 CB HIS A 79 72.022 -10.980 4.012 1.00 0.00 C ATOM 1181 CG HIS A 79 73.345 -10.487 4.529 1.00 0.00 C ATOM 1182 ND1 HIS A 79 74.170 -9.477 4.102 1.00 0.00 N flip ATOM 1183 CD2 HIS A 79 73.989 -11.073 5.610 1.00 0.00 C flip ATOM 1184 CE1 HIS A 79 75.312 -9.437 4.898 1.00 0.00 C flip ATOM 1185 NE2 HIS A 79 75.153 -10.420 5.789 1.00 0.00 N flip ATOM 0 H HIS A 79 72.025 -8.116 4.480 1.00 0.00 H new ATOM 0 HA HIS A 79 70.058 -10.151 3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 79 71.743 -11.904 4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 79 72.097 -11.209 2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 79 73.624 -11.901 6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 79 76.147 -8.757 4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 79 75.831 -10.648 6.516 1.00 0.00 H new ATOM 1193 N VAL A 80 69.559 -10.629 6.075 1.00 0.00 N ATOM 1194 CA VAL A 80 69.086 -10.704 7.458 1.00 0.00 C ATOM 1195 C VAL A 80 68.844 -12.160 7.836 1.00 0.00 C ATOM 1196 O VAL A 80 68.251 -12.917 7.067 1.00 0.00 O ATOM 1197 CB VAL A 80 67.790 -9.896 7.613 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.597 -9.493 9.083 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.873 -8.648 6.726 1.00 0.00 C ATOM 0 H VAL A 80 69.030 -11.206 5.421 1.00 0.00 H new ATOM 0 HA VAL A 80 69.842 -10.284 8.121 1.00 0.00 H new ATOM 0 HB VAL A 80 66.938 -10.503 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.675 -8.920 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.538 -10.389 9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.441 -8.884 9.407 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.957 -8.067 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.724 -8.040 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 80 67.997 -8.949 5.686 1.00 0.00 H new ATOM 1209 N GLY A 81 69.311 -12.551 9.011 1.00 0.00 N ATOM 1210 CA GLY A 81 69.144 -13.928 9.464 1.00 0.00 C ATOM 1211 C GLY A 81 67.731 -14.442 9.167 1.00 0.00 C ATOM 1212 O GLY A 81 67.503 -15.652 9.120 1.00 0.00 O ATOM 0 H GLY A 81 69.804 -11.943 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.877 -14.567 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.338 -13.987 10.535 1.00 0.00 H new ATOM 1216 N THR A 82 66.794 -13.513 8.965 1.00 0.00 N ATOM 1217 CA THR A 82 65.408 -13.876 8.670 1.00 0.00 C ATOM 1218 C THR A 82 65.238 -14.191 7.186 1.00 0.00 C ATOM 1219 O THR A 82 65.068 -15.348 6.802 1.00 0.00 O ATOM 1220 CB THR A 82 64.470 -12.722 9.042 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.681 -11.638 8.149 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.749 -12.267 10.476 1.00 0.00 C ATOM 0 H THR A 82 66.969 -12.509 9.000 1.00 0.00 H new ATOM 0 HA THR A 82 65.159 -14.760 9.257 1.00 0.00 H new ATOM 0 HB THR A 82 63.436 -13.060 8.970 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.081 -10.899 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.079 -11.447 10.734 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.584 -13.099 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.783 -11.930 10.556 1.00 0.00 H new ATOM 1230 N CYS A 83 65.281 -13.147 6.354 1.00 0.00 N ATOM 1231 CA CYS A 83 65.128 -13.309 4.903 1.00 0.00 C ATOM 1232 C CYS A 83 66.275 -12.628 4.160 1.00 0.00 C ATOM 1233 O CYS A 83 67.181 -12.071 4.776 1.00 0.00 O ATOM 1234 CB CYS A 83 63.796 -12.708 4.441 1.00 0.00 C ATOM 1235 SG CYS A 83 63.374 -13.371 2.813 1.00 0.00 S ATOM 0 H CYS A 83 65.420 -12.183 6.657 1.00 0.00 H new ATOM 0 HA CYS A 83 65.143 -14.375 4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.009 -12.944 5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.870 -11.621 4.396 1.00 0.00 H new ATOM 0 HG CYS A 83 62.243 -12.865 2.418 1.00 0.00 H new ATOM 1241 N SER A 84 66.224 -12.678 2.825 1.00 0.00 N ATOM 1242 CA SER A 84 67.259 -12.068 1.982 1.00 0.00 C ATOM 1243 C SER A 84 66.621 -11.145 0.947 1.00 0.00 C ATOM 1244 O SER A 84 65.488 -11.366 0.518 1.00 0.00 O ATOM 1245 CB SER A 84 68.060 -13.164 1.275 1.00 0.00 C ATOM 1246 OG SER A 84 68.899 -13.810 2.223 1.00 0.00 O ATOM 0 H SER A 84 65.476 -13.135 2.304 1.00 0.00 H new ATOM 0 HA SER A 84 67.927 -11.481 2.612 1.00 0.00 H new ATOM 0 HB2 SER A 84 67.385 -13.886 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.660 -12.734 0.473 1.00 0.00 H new ATOM 0 HG SER A 84 69.414 -14.515 1.777 1.00 0.00 H new ATOM 1252 N SER A 85 67.349 -10.101 0.559 1.00 0.00 N ATOM 1253 CA SER A 85 66.831 -9.145 -0.412 1.00 0.00 C ATOM 1254 C SER A 85 67.975 -8.418 -1.113 1.00 0.00 C ATOM 1255 O SER A 85 69.108 -8.419 -0.632 1.00 0.00 O ATOM 1256 CB SER A 85 65.944 -8.130 0.308 1.00 0.00 C ATOM 1257 OG SER A 85 66.682 -7.533 1.369 1.00 0.00 O ATOM 0 H SER A 85 68.289 -9.898 0.898 1.00 0.00 H new ATOM 0 HA SER A 85 66.250 -9.682 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.605 -7.365 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.053 -8.621 0.700 1.00 0.00 H new ATOM 0 HG SER A 85 66.903 -6.608 1.134 1.00 0.00 H new ATOM 1263 N GLU A 86 67.669 -7.792 -2.246 1.00 0.00 N ATOM 1264 CA GLU A 86 68.679 -7.057 -3.001 1.00 0.00 C ATOM 1265 C GLU A 86 68.030 -6.050 -3.948 1.00 0.00 C ATOM 1266 O GLU A 86 66.819 -6.081 -4.174 1.00 0.00 O ATOM 1267 CB GLU A 86 69.548 -8.023 -3.805 1.00 0.00 C ATOM 1268 CG GLU A 86 68.661 -8.967 -4.612 1.00 0.00 C ATOM 1269 CD GLU A 86 69.525 -9.790 -5.558 1.00 0.00 C ATOM 1270 OE1 GLU A 86 70.695 -9.473 -5.683 1.00 0.00 O ATOM 1271 OE2 GLU A 86 69.010 -10.738 -6.131 1.00 0.00 O1- ATOM 0 H GLU A 86 66.737 -7.779 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 86 69.301 -6.517 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.204 -7.466 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.188 -8.596 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.108 -9.625 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 86 67.925 -8.396 -5.178 1.00 0.00 H new ATOM 1278 N ALA A 87 68.856 -5.160 -4.501 1.00 0.00 N ATOM 1279 CA ALA A 87 68.384 -4.133 -5.436 1.00 0.00 C ATOM 1280 C ALA A 87 69.448 -3.877 -6.509 1.00 0.00 C ATOM 1281 O ALA A 87 70.642 -3.855 -6.210 1.00 0.00 O ATOM 1282 CB ALA A 87 68.087 -2.833 -4.680 1.00 0.00 C ATOM 0 H ALA A 87 69.859 -5.129 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 87 67.470 -4.483 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.737 -2.076 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.317 -3.016 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.995 -2.482 -4.190 1.00 0.00 H new ATOM 1288 N GLN A 88 69.012 -3.693 -7.761 1.00 0.00 N ATOM 1289 CA GLN A 88 69.945 -3.449 -8.873 1.00 0.00 C ATOM 1290 C GLN A 88 69.841 -2.011 -9.368 1.00 0.00 C ATOM 1291 O GLN A 88 68.774 -1.558 -9.790 1.00 0.00 O ATOM 1292 CB GLN A 88 69.634 -4.402 -10.038 1.00 0.00 C ATOM 1293 CG GLN A 88 70.135 -5.804 -9.696 1.00 0.00 C ATOM 1294 CD GLN A 88 69.355 -6.340 -8.508 1.00 0.00 C ATOM 1295 OE1 GLN A 88 68.140 -6.165 -8.431 1.00 0.00 O ATOM 1296 NE2 GLN A 88 69.988 -6.973 -7.563 1.00 0.00 N ATOM 0 H GLN A 88 68.028 -3.708 -8.030 1.00 0.00 H new ATOM 0 HA GLN A 88 70.956 -3.625 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.561 -4.424 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.112 -4.046 -10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 88 70.013 -6.465 -10.554 1.00 0.00 H new ATOM 0 HG3 GLN A 88 71.200 -5.776 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 88 70.996 -7.116 -7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 88 69.476 -7.326 -6.754 1.00 0.00 H new ATOM 1305 N LEU A 89 70.967 -1.303 -9.328 1.00 0.00 N ATOM 1306 CA LEU A 89 71.022 0.085 -9.784 1.00 0.00 C ATOM 1307 C LEU A 89 71.795 0.171 -11.093 1.00 0.00 C ATOM 1308 O LEU A 89 73.023 0.065 -11.108 1.00 0.00 O ATOM 1309 CB LEU A 89 71.710 0.938 -8.709 1.00 0.00 C ATOM 1310 CG LEU A 89 71.923 2.380 -9.203 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.575 3.028 -9.550 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.607 3.189 -8.094 1.00 0.00 C ATOM 0 H LEU A 89 71.855 -1.668 -8.984 1.00 0.00 H new ATOM 0 HA LEU A 89 70.011 0.456 -9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.104 0.946 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.670 0.494 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 89 72.546 2.366 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.740 4.048 -9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.086 2.452 -10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 89 69.941 3.046 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.763 4.213 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 89 71.976 3.194 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.569 2.736 -7.854 1.00 0.00 H new ATOM 1324 N LYS A 90 71.069 0.382 -12.188 1.00 0.00 N ATOM 1325 CA LYS A 90 71.683 0.509 -13.509 1.00 0.00 C ATOM 1326 C LYS A 90 71.557 1.956 -13.971 1.00 0.00 C ATOM 1327 O LYS A 90 70.869 2.756 -13.335 1.00 0.00 O ATOM 1328 CB LYS A 90 70.995 -0.423 -14.517 1.00 0.00 C ATOM 1329 CG LYS A 90 71.236 -1.886 -14.135 1.00 0.00 C ATOM 1330 CD LYS A 90 70.514 -2.794 -15.133 1.00 0.00 C ATOM 1331 CE LYS A 90 70.763 -4.260 -14.773 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.029 -5.143 -15.723 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.053 0.469 -12.187 1.00 0.00 H new ATOM 0 HA LYS A 90 72.734 0.226 -13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.925 -0.218 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.379 -0.233 -15.519 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.304 -2.103 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.873 -2.075 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 90 69.445 -2.584 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 90 70.868 -2.593 -16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 90 71.830 -4.477 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.434 -4.455 -13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 70.201 -6.138 -15.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 69.010 -4.943 -15.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 70.363 -4.965 -16.692 1.00 0.00 H new ATOM 1346 N VAL A 91 72.223 2.293 -15.071 1.00 0.00 N ATOM 1347 CA VAL A 91 72.180 3.659 -15.602 1.00 0.00 C ATOM 1348 C VAL A 91 71.473 3.678 -16.951 1.00 0.00 C ATOM 1349 O VAL A 91 71.807 2.904 -17.848 1.00 0.00 O ATOM 1350 CB VAL A 91 73.607 4.194 -15.765 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.336 4.151 -14.420 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.368 3.332 -16.780 1.00 0.00 C ATOM 0 H VAL A 91 72.797 1.646 -15.612 1.00 0.00 H new ATOM 0 HA VAL A 91 71.630 4.291 -14.904 1.00 0.00 H new ATOM 0 HB VAL A 91 73.562 5.224 -16.120 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.350 4.533 -14.543 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.802 4.767 -13.697 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.377 3.123 -14.061 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.382 3.714 -16.894 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.406 2.302 -16.426 1.00 0.00 H new ATOM 0 HG23 VAL A 91 73.857 3.366 -17.742 1.00 0.00 H new ATOM 1362 N THR A 92 70.491 4.564 -17.085 1.00 0.00 N ATOM 1363 CA THR A 92 69.736 4.679 -18.327 1.00 0.00 C ATOM 1364 C THR A 92 70.635 5.193 -19.445 1.00 0.00 C ATOM 1365 O THR A 92 71.428 6.116 -19.244 1.00 0.00 O ATOM 1366 CB THR A 92 68.550 5.628 -18.128 1.00 0.00 C ATOM 1367 OG1 THR A 92 67.877 5.284 -16.925 1.00 0.00 O ATOM 1368 CG2 THR A 92 67.577 5.507 -19.305 1.00 0.00 C ATOM 0 H THR A 92 70.200 5.210 -16.351 1.00 0.00 H new ATOM 0 HA THR A 92 69.362 3.694 -18.605 1.00 0.00 H new ATOM 0 HB THR A 92 68.915 6.654 -18.072 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.226 5.982 -16.703 1.00 0.00 H new ATOM 0 HG21 THR A 92 66.737 6.185 -19.154 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.091 5.766 -20.230 1.00 0.00 H new ATOM 0 HG23 THR A 92 67.209 4.483 -19.369 1.00 0.00 H new ATOM 1376 N ALA A 93 70.516 4.583 -20.622 1.00 0.00 N ATOM 1377 CA ALA A 93 71.330 4.980 -21.772 1.00 0.00 C ATOM 1378 C ALA A 93 70.574 4.769 -23.081 1.00 0.00 C ATOM 1379 O ALA A 93 71.152 4.323 -24.071 1.00 0.00 O ATOM 1380 CB ALA A 93 72.617 4.157 -21.804 1.00 0.00 C ATOM 0 H ALA A 93 69.869 3.817 -20.806 1.00 0.00 H new ATOM 0 HA ALA A 93 71.564 6.040 -21.668 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.219 4.456 -22.662 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.181 4.328 -20.887 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.370 3.099 -21.886 1.00 0.00 H new ATOM 1386 N GLY A 94 69.285 5.089 -23.084 1.00 0.00 N ATOM 1387 CA GLY A 94 68.479 4.924 -24.290 1.00 0.00 C ATOM 1388 C GLY A 94 68.825 5.982 -25.334 1.00 0.00 C ATOM 1389 O GLY A 94 67.921 6.427 -26.020 1.00 0.00 O ATOM 0 H GLY A 94 68.781 5.459 -22.278 1.00 0.00 H new ATOM 0 HA2 GLY A 94 68.643 3.930 -24.707 1.00 0.00 H new ATOM 0 HA3 GLY A 94 67.421 4.992 -24.036 1.00 0.00 H new TER 1393 GLY A 94