USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 883 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 ASN : amide:sc= -1.06 K(o=-2.4,f=-1.4) USER MOD Set 1.3: A 94 TYR OH : rot 15:sc= -1.36 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -136:sc= 0.102 (180deg=0) USER MOD Set 2.2: A 31 GLN : amide:sc= -1.43 K(o=-1.3,f=-3.2!) USER MOD Set 3.1: A 8 THR OG1 : rot 80:sc= 0.295 USER MOD Set 3.2: A 11 SER OG : rot 53:sc= 0.392 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0852 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.0045) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.1 (180deg=-0.315) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.5! C(o=-1.5!,f=-6.6!) USER MOD Single : A 35 MET CE :methyl -175:sc= -0.201 (180deg=-0.233) USER MOD Single : A 36 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0866) USER MOD Single : A 39 THR OG1 : rot -173:sc= 0.256 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0675 K(o=-0.068,f=-0.95) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.1!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0844 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0585) USER MOD Single : A 66 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.2) USER MOD Single : A 69 THR OG1 : rot -25:sc= -0.759 USER MOD Single : A 71 MET CE :methyl 141:sc= 0 (180deg=-1.94) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.9!) USER MOD Single : A 77 LYS NZ :NH3+ -118:sc= -0.0292 (180deg=-0.723) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.763 USER MOD Single : A 86 LYS NZ :NH3+ -139:sc= 0.301 (180deg=-0.0586) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -4.41! C(o=-4.4!,f=-9!) USER MOD Single : A 96 MET CE :methyl 161:sc= -0.458 (180deg=-0.513) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.062) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 34:sc= 0.182 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.788 28.461 7.245 1.00 0.00 N ATOM 2 CA GLY A 1 6.023 27.230 7.308 1.00 0.00 C ATOM 3 C GLY A 1 5.083 27.071 6.129 1.00 0.00 C ATOM 4 O GLY A 1 5.162 27.824 5.158 1.00 0.00 O ATOM 0 H1 GLY A 1 7.800 28.247 7.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.629 28.922 6.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.484 29.098 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.707 26.382 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.447 27.211 8.233 1.00 0.00 H new ATOM 8 N SER A 2 4.193 26.087 6.212 1.00 0.00 N ATOM 9 CA SER A 2 3.238 25.828 5.141 1.00 0.00 C ATOM 10 C SER A 2 1.836 25.617 5.703 1.00 0.00 C ATOM 11 O SER A 2 1.649 24.891 6.680 1.00 0.00 O ATOM 12 CB SER A 2 3.666 24.602 4.333 1.00 0.00 C ATOM 13 OG SER A 2 2.937 24.509 3.121 1.00 0.00 O ATOM 0 H SER A 2 4.114 25.456 7.010 1.00 0.00 H new ATOM 0 HA SER A 2 3.220 26.698 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.733 24.660 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.510 23.700 4.925 1.00 0.00 H new ATOM 0 HG SER A 2 3.231 23.718 2.622 1.00 0.00 H new ATOM 19 N SER A 3 0.852 26.256 5.078 1.00 0.00 N ATOM 20 CA SER A 3 -0.534 26.142 5.517 1.00 0.00 C ATOM 21 C SER A 3 -1.311 25.183 4.620 1.00 0.00 C ATOM 22 O SER A 3 -1.858 25.581 3.593 1.00 0.00 O ATOM 23 CB SER A 3 -1.206 27.516 5.516 1.00 0.00 C ATOM 24 OG SER A 3 -0.744 28.310 6.595 1.00 0.00 O ATOM 0 H SER A 3 0.989 26.858 4.266 1.00 0.00 H new ATOM 0 HA SER A 3 -0.536 25.745 6.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.002 28.024 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.287 27.396 5.586 1.00 0.00 H new ATOM 0 HG SER A 3 -1.187 29.184 6.571 1.00 0.00 H new ATOM 30 N GLY A 4 -1.353 23.914 5.017 1.00 0.00 N ATOM 31 CA GLY A 4 -2.064 22.917 4.239 1.00 0.00 C ATOM 32 C GLY A 4 -3.202 22.281 5.012 1.00 0.00 C ATOM 33 O GLY A 4 -3.415 21.071 4.935 1.00 0.00 O ATOM 0 H GLY A 4 -0.907 23.560 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.458 23.380 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.366 22.142 3.923 1.00 0.00 H new ATOM 37 N SER A 5 -3.936 23.099 5.761 1.00 0.00 N ATOM 38 CA SER A 5 -5.055 22.608 6.557 1.00 0.00 C ATOM 39 C SER A 5 -6.087 21.913 5.673 1.00 0.00 C ATOM 40 O SER A 5 -6.423 22.399 4.593 1.00 0.00 O ATOM 41 CB SER A 5 -5.713 23.762 7.316 1.00 0.00 C ATOM 42 OG SER A 5 -4.948 24.126 8.453 1.00 0.00 O ATOM 0 H SER A 5 -3.776 24.104 5.833 1.00 0.00 H new ATOM 0 HA SER A 5 -4.669 21.883 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.820 24.622 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.717 23.472 7.627 1.00 0.00 H new ATOM 0 HG SER A 5 -5.388 24.866 8.920 1.00 0.00 H new ATOM 48 N SER A 6 -6.585 20.773 6.140 1.00 0.00 N ATOM 49 CA SER A 6 -7.575 20.008 5.392 1.00 0.00 C ATOM 50 C SER A 6 -8.968 20.195 5.986 1.00 0.00 C ATOM 51 O SER A 6 -9.899 20.609 5.296 1.00 0.00 O ATOM 52 CB SER A 6 -7.205 18.523 5.386 1.00 0.00 C ATOM 53 OG SER A 6 -8.149 17.766 4.649 1.00 0.00 O ATOM 0 H SER A 6 -6.319 20.359 7.033 1.00 0.00 H new ATOM 0 HA SER A 6 -7.584 20.377 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.213 18.394 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.157 18.153 6.410 1.00 0.00 H new ATOM 0 HG SER A 6 -7.890 16.821 4.659 1.00 0.00 H new ATOM 59 N GLY A 7 -9.103 19.885 7.272 1.00 0.00 N ATOM 60 CA GLY A 7 -10.385 20.024 7.938 1.00 0.00 C ATOM 61 C GLY A 7 -10.416 19.332 9.286 1.00 0.00 C ATOM 62 O GLY A 7 -9.648 19.674 10.187 1.00 0.00 O ATOM 0 H GLY A 7 -8.348 19.540 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.609 21.082 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.168 19.610 7.302 1.00 0.00 H new ATOM 66 N THR A 8 -11.307 18.356 9.428 1.00 0.00 N ATOM 67 CA THR A 8 -11.437 17.616 10.677 1.00 0.00 C ATOM 68 C THR A 8 -11.855 16.173 10.420 1.00 0.00 C ATOM 69 O THR A 8 -12.843 15.917 9.732 1.00 0.00 O ATOM 70 CB THR A 8 -12.463 18.276 11.617 1.00 0.00 C ATOM 71 OG1 THR A 8 -13.424 19.013 10.852 1.00 0.00 O ATOM 72 CG2 THR A 8 -11.774 19.205 12.604 1.00 0.00 C ATOM 0 H THR A 8 -11.949 18.060 8.693 1.00 0.00 H new ATOM 0 HA THR A 8 -10.457 17.628 11.155 1.00 0.00 H new ATOM 0 HB THR A 8 -12.969 17.489 12.176 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.092 18.397 10.486 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.519 19.659 13.257 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.064 18.636 13.204 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.244 19.987 12.059 1.00 0.00 H new ATOM 80 N GLU A 9 -11.098 15.234 10.978 1.00 0.00 N ATOM 81 CA GLU A 9 -11.391 13.815 10.808 1.00 0.00 C ATOM 82 C GLU A 9 -12.871 13.533 11.052 1.00 0.00 C ATOM 83 O GLU A 9 -13.448 12.626 10.452 1.00 0.00 O ATOM 84 CB GLU A 9 -10.537 12.977 11.761 1.00 0.00 C ATOM 85 CG GLU A 9 -9.063 12.950 11.393 1.00 0.00 C ATOM 86 CD GLU A 9 -8.347 14.236 11.758 1.00 0.00 C ATOM 87 OE1 GLU A 9 -8.396 14.628 12.943 1.00 0.00 O ATOM 88 OE2 GLU A 9 -7.738 14.851 10.858 1.00 0.00 O ATOM 0 H GLU A 9 -10.277 15.430 11.552 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.151 13.541 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.643 13.370 12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.918 11.956 11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.581 12.114 11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.963 12.774 10.322 1.00 0.00 H new ATOM 95 N ASP A 10 -13.478 14.315 11.938 1.00 0.00 N ATOM 96 CA ASP A 10 -14.890 14.151 12.262 1.00 0.00 C ATOM 97 C ASP A 10 -15.757 14.328 11.019 1.00 0.00 C ATOM 98 O ASP A 10 -16.772 13.651 10.857 1.00 0.00 O ATOM 99 CB ASP A 10 -15.309 15.154 13.338 1.00 0.00 C ATOM 100 CG ASP A 10 -16.813 15.225 13.510 1.00 0.00 C ATOM 101 OD1 ASP A 10 -17.433 14.169 13.755 1.00 0.00 O ATOM 102 OD2 ASP A 10 -17.370 16.337 13.399 1.00 0.00 O ATOM 0 H ASP A 10 -13.014 15.069 12.445 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.034 13.140 12.643 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.851 14.877 14.287 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.929 16.142 13.077 1.00 0.00 H new ATOM 107 N SER A 11 -15.351 15.244 10.146 1.00 0.00 N ATOM 108 CA SER A 11 -16.093 15.514 8.920 1.00 0.00 C ATOM 109 C SER A 11 -15.178 15.430 7.702 1.00 0.00 C ATOM 110 O SER A 11 -14.826 16.448 7.104 1.00 0.00 O ATOM 111 CB SER A 11 -16.746 16.896 8.988 1.00 0.00 C ATOM 112 OG SER A 11 -15.812 17.882 9.391 1.00 0.00 O ATOM 0 H SER A 11 -14.512 15.812 10.265 1.00 0.00 H new ATOM 0 HA SER A 11 -16.871 14.757 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.156 17.156 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.581 16.873 9.689 1.00 0.00 H new ATOM 0 HG SER A 11 -15.018 17.834 8.818 1.00 0.00 H new ATOM 118 N LEU A 12 -14.797 14.211 7.339 1.00 0.00 N ATOM 119 CA LEU A 12 -13.923 13.992 6.191 1.00 0.00 C ATOM 120 C LEU A 12 -14.731 13.905 4.900 1.00 0.00 C ATOM 121 O LEU A 12 -15.823 13.340 4.878 1.00 0.00 O ATOM 122 CB LEU A 12 -13.107 12.713 6.383 1.00 0.00 C ATOM 123 CG LEU A 12 -11.766 12.873 7.101 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.311 11.545 7.685 1.00 0.00 C ATOM 125 CD2 LEU A 12 -10.715 13.428 6.150 1.00 0.00 C ATOM 0 H LEU A 12 -15.079 13.358 7.823 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.244 14.841 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.713 12.000 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.921 12.274 5.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.896 13.580 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.355 11.679 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.053 11.188 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.198 10.815 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.767 13.535 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.587 12.745 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.037 14.402 5.780 1.00 0.00 H new ATOM 137 N MET A 13 -14.184 14.467 3.827 1.00 0.00 N ATOM 138 CA MET A 13 -14.852 14.449 2.531 1.00 0.00 C ATOM 139 C MET A 13 -15.260 13.030 2.149 1.00 0.00 C ATOM 140 O MET A 13 -14.643 12.048 2.564 1.00 0.00 O ATOM 141 CB MET A 13 -13.939 15.038 1.454 1.00 0.00 C ATOM 142 CG MET A 13 -14.150 16.526 1.225 1.00 0.00 C ATOM 143 SD MET A 13 -13.068 17.546 2.245 1.00 0.00 S ATOM 144 CE MET A 13 -14.213 18.098 3.506 1.00 0.00 C ATOM 0 H MET A 13 -13.280 14.940 3.829 1.00 0.00 H new ATOM 0 HA MET A 13 -15.752 15.059 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.900 14.866 1.736 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.107 14.507 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.975 16.756 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.189 16.779 1.438 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.691 18.741 4.215 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.026 18.655 3.041 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.620 17.234 4.031 1.00 0.00 H new ATOM 154 N PRO A 14 -16.323 12.916 1.340 1.00 0.00 N ATOM 155 CA PRO A 14 -16.836 11.620 0.884 1.00 0.00 C ATOM 156 C PRO A 14 -15.892 10.936 -0.099 1.00 0.00 C ATOM 157 O PRO A 14 -14.735 11.332 -0.239 1.00 0.00 O ATOM 158 CB PRO A 14 -18.154 11.983 0.195 1.00 0.00 C ATOM 159 CG PRO A 14 -17.980 13.399 -0.234 1.00 0.00 C ATOM 160 CD PRO A 14 -17.107 14.043 0.807 1.00 0.00 C ATOM 0 HA PRO A 14 -16.949 10.914 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.347 11.332 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.999 11.876 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.518 13.454 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.942 13.906 -0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.465 14.810 0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.699 14.525 1.586 1.00 0.00 H new ATOM 168 N GLU A 15 -16.394 9.909 -0.777 1.00 0.00 N ATOM 169 CA GLU A 15 -15.593 9.170 -1.746 1.00 0.00 C ATOM 170 C GLU A 15 -15.821 9.703 -3.158 1.00 0.00 C ATOM 171 O GLU A 15 -14.902 9.734 -3.976 1.00 0.00 O ATOM 172 CB GLU A 15 -15.933 7.679 -1.691 1.00 0.00 C ATOM 173 CG GLU A 15 -14.908 6.796 -2.384 1.00 0.00 C ATOM 174 CD GLU A 15 -15.181 5.318 -2.181 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.889 4.972 -1.214 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.685 4.508 -2.992 1.00 0.00 O ATOM 0 H GLU A 15 -17.350 9.570 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.542 9.305 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.019 7.373 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.908 7.520 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.904 7.018 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.914 7.034 -2.006 1.00 0.00 H new ATOM 183 N GLU A 16 -17.052 10.121 -3.435 1.00 0.00 N ATOM 184 CA GLU A 16 -17.400 10.651 -4.748 1.00 0.00 C ATOM 185 C GLU A 16 -16.769 12.023 -4.966 1.00 0.00 C ATOM 186 O GLU A 16 -15.981 12.215 -5.892 1.00 0.00 O ATOM 187 CB GLU A 16 -18.920 10.748 -4.897 1.00 0.00 C ATOM 188 CG GLU A 16 -19.363 11.558 -6.104 1.00 0.00 C ATOM 189 CD GLU A 16 -19.377 10.741 -7.381 1.00 0.00 C ATOM 190 OE1 GLU A 16 -18.316 10.636 -8.031 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.450 10.206 -7.731 1.00 0.00 O ATOM 0 H GLU A 16 -17.824 10.103 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.011 9.967 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.334 9.743 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.337 11.197 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.360 11.958 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.696 12.410 -6.230 1.00 0.00 H new ATOM 198 N GLU A 17 -17.121 12.974 -4.107 1.00 0.00 N ATOM 199 CA GLU A 17 -16.590 14.328 -4.206 1.00 0.00 C ATOM 200 C GLU A 17 -15.064 14.317 -4.187 1.00 0.00 C ATOM 201 O GLU A 17 -14.417 14.974 -5.003 1.00 0.00 O ATOM 202 CB GLU A 17 -17.119 15.193 -3.060 1.00 0.00 C ATOM 203 CG GLU A 17 -17.210 16.670 -3.404 1.00 0.00 C ATOM 204 CD GLU A 17 -17.402 17.544 -2.180 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.174 17.144 -1.282 1.00 0.00 O ATOM 206 OE2 GLU A 17 -16.783 18.626 -2.119 1.00 0.00 O ATOM 0 H GLU A 17 -17.772 12.832 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.921 14.752 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.107 14.834 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.470 15.070 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.302 16.975 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.040 16.828 -4.092 1.00 0.00 H new ATOM 213 N PHE A 18 -14.496 13.567 -3.249 1.00 0.00 N ATOM 214 CA PHE A 18 -13.046 13.470 -3.122 1.00 0.00 C ATOM 215 C PHE A 18 -12.383 13.393 -4.494 1.00 0.00 C ATOM 216 O PHE A 18 -11.569 14.245 -4.851 1.00 0.00 O ATOM 217 CB PHE A 18 -12.667 12.244 -2.290 1.00 0.00 C ATOM 218 CG PHE A 18 -11.261 11.770 -2.527 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.202 12.325 -1.827 1.00 0.00 C ATOM 220 CD2 PHE A 18 -11.000 10.770 -3.449 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.908 11.891 -2.044 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.708 10.331 -3.670 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.660 10.892 -2.966 1.00 0.00 C ATOM 0 H PHE A 18 -15.017 13.018 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.690 14.368 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.789 12.480 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.359 11.433 -2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.390 13.105 -1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.816 10.328 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.091 12.333 -1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.518 9.551 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.650 10.551 -3.136 1.00 0.00 H new ATOM 233 N LEU A 19 -12.738 12.366 -5.258 1.00 0.00 N ATOM 234 CA LEU A 19 -12.178 12.176 -6.592 1.00 0.00 C ATOM 235 C LEU A 19 -12.211 13.477 -7.387 1.00 0.00 C ATOM 236 O LEU A 19 -11.247 13.823 -8.070 1.00 0.00 O ATOM 237 CB LEU A 19 -12.950 11.088 -7.340 1.00 0.00 C ATOM 238 CG LEU A 19 -13.013 9.720 -6.658 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.970 8.799 -7.398 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.626 9.099 -6.579 1.00 0.00 C ATOM 0 H LEU A 19 -13.411 11.652 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.139 11.866 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.969 11.439 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.498 10.961 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.386 9.858 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.002 7.831 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.968 9.238 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.627 8.667 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.690 8.126 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.225 8.975 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.968 9.751 -6.004 1.00 0.00 H new ATOM 252 N ARG A 20 -13.326 14.195 -7.292 1.00 0.00 N ATOM 253 CA ARG A 20 -13.484 15.458 -8.001 1.00 0.00 C ATOM 254 C ARG A 20 -12.452 16.479 -7.531 1.00 0.00 C ATOM 255 O ARG A 20 -11.971 17.298 -8.315 1.00 0.00 O ATOM 256 CB ARG A 20 -14.895 16.011 -7.794 1.00 0.00 C ATOM 257 CG ARG A 20 -15.991 15.091 -8.305 1.00 0.00 C ATOM 258 CD ARG A 20 -17.322 15.818 -8.417 1.00 0.00 C ATOM 259 NE ARG A 20 -18.445 14.890 -8.528 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.808 14.309 -9.665 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.141 14.558 -10.784 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.841 13.477 -9.686 1.00 0.00 N ATOM 0 H ARG A 20 -14.133 13.923 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.327 15.271 -9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.052 16.194 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.976 16.974 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.709 14.694 -9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.096 14.240 -7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.462 16.454 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.305 16.473 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.979 14.677 -7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.347 15.198 -10.773 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.423 14.110 -11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.357 13.283 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.119 13.031 -10.560 1.00 0.00 H new ATOM 276 N ARG A 21 -12.116 16.425 -6.246 1.00 0.00 N ATOM 277 CA ARG A 21 -11.143 17.345 -5.671 1.00 0.00 C ATOM 278 C ARG A 21 -9.724 16.811 -5.840 1.00 0.00 C ATOM 279 O ARG A 21 -8.920 17.379 -6.579 1.00 0.00 O ATOM 280 CB ARG A 21 -11.440 17.573 -4.188 1.00 0.00 C ATOM 281 CG ARG A 21 -12.670 18.430 -3.938 1.00 0.00 C ATOM 282 CD ARG A 21 -12.343 19.913 -4.021 1.00 0.00 C ATOM 283 NE ARG A 21 -13.528 20.746 -3.838 1.00 0.00 N ATOM 284 CZ ARG A 21 -13.595 22.020 -4.207 1.00 0.00 C ATOM 285 NH1 ARG A 21 -12.550 22.604 -4.777 1.00 0.00 N ATOM 286 NH2 ARG A 21 -14.709 22.713 -4.006 1.00 0.00 N ATOM 0 H ARG A 21 -12.504 15.753 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.221 18.294 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.575 16.607 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.576 18.047 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.440 18.185 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.080 18.201 -2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.603 20.164 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.893 20.131 -4.989 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.350 20.326 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.692 22.075 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.604 23.583 -5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.515 22.267 -3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.759 23.691 -4.290 1.00 0.00 H new ATOM 300 N ASN A 22 -9.422 15.716 -5.149 1.00 0.00 N ATOM 301 CA ASN A 22 -8.100 15.106 -5.222 1.00 0.00 C ATOM 302 C ASN A 22 -8.155 13.775 -5.965 1.00 0.00 C ATOM 303 O ASN A 22 -8.663 12.781 -5.445 1.00 0.00 O ATOM 304 CB ASN A 22 -7.534 14.895 -3.816 1.00 0.00 C ATOM 305 CG ASN A 22 -7.655 16.135 -2.952 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.703 16.904 -2.814 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.829 16.336 -2.366 1.00 0.00 N ATOM 0 H ASN A 22 -10.075 15.233 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.446 15.782 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.059 14.069 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.485 14.607 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.970 17.154 -1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.590 15.672 -2.508 1.00 0.00 H new ATOM 314 N LYS A 23 -7.629 13.762 -7.185 1.00 0.00 N ATOM 315 CA LYS A 23 -7.616 12.554 -8.001 1.00 0.00 C ATOM 316 C LYS A 23 -6.230 11.915 -8.004 1.00 0.00 C ATOM 317 O LYS A 23 -6.099 10.695 -7.911 1.00 0.00 O ATOM 318 CB LYS A 23 -8.043 12.876 -9.434 1.00 0.00 C ATOM 319 CG LYS A 23 -8.421 11.650 -10.247 1.00 0.00 C ATOM 320 CD LYS A 23 -9.250 12.022 -11.465 1.00 0.00 C ATOM 321 CE LYS A 23 -10.720 12.182 -11.112 1.00 0.00 C ATOM 322 NZ LYS A 23 -11.353 10.878 -10.770 1.00 0.00 N ATOM 0 H LYS A 23 -7.206 14.576 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.323 11.846 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.892 13.559 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.230 13.399 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.517 11.131 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.983 10.957 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.874 12.952 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.140 11.253 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.819 12.866 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.248 12.633 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.388 10.976 -10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.053 10.156 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.061 10.590 -9.814 1.00 0.00 H new ATOM 336 N GLY A 24 -5.199 12.748 -8.111 1.00 0.00 N ATOM 337 CA GLY A 24 -3.838 12.245 -8.123 1.00 0.00 C ATOM 338 C GLY A 24 -3.207 12.313 -9.499 1.00 0.00 C ATOM 339 O GLY A 24 -3.654 13.054 -10.375 1.00 0.00 O ATOM 0 H GLY A 24 -5.282 13.762 -8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.235 12.821 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.833 11.212 -7.775 1.00 0.00 H new ATOM 343 N PRO A 25 -2.142 11.524 -9.705 1.00 0.00 N ATOM 344 CA PRO A 25 -1.601 10.638 -8.671 1.00 0.00 C ATOM 345 C PRO A 25 -0.934 11.409 -7.537 1.00 0.00 C ATOM 346 O PRO A 25 -0.450 12.524 -7.732 1.00 0.00 O ATOM 347 CB PRO A 25 -0.568 9.799 -9.427 1.00 0.00 C ATOM 348 CG PRO A 25 -0.162 10.649 -10.581 1.00 0.00 C ATOM 349 CD PRO A 25 -1.383 11.438 -10.964 1.00 0.00 C ATOM 0 HA PRO A 25 -2.382 10.047 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.286 9.557 -8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.994 8.854 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.660 11.310 -10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.184 10.037 -11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.121 12.426 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.956 10.938 -11.745 1.00 0.00 H new ATOM 357 N VAL A 26 -0.911 10.808 -6.352 1.00 0.00 N ATOM 358 CA VAL A 26 -0.302 11.439 -5.187 1.00 0.00 C ATOM 359 C VAL A 26 1.034 10.788 -4.845 1.00 0.00 C ATOM 360 O VAL A 26 1.276 9.629 -5.184 1.00 0.00 O ATOM 361 CB VAL A 26 -1.227 11.361 -3.958 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.508 12.143 -4.204 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.535 9.911 -3.615 1.00 0.00 C ATOM 0 H VAL A 26 -1.307 9.885 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.139 12.486 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.713 11.810 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.149 12.077 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.265 13.188 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.029 11.726 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.190 9.874 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.030 9.434 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.607 9.384 -3.393 1.00 0.00 H new ATOM 373 N SER A 27 1.898 11.540 -4.172 1.00 0.00 N ATOM 374 CA SER A 27 3.212 11.038 -3.787 1.00 0.00 C ATOM 375 C SER A 27 3.315 10.892 -2.272 1.00 0.00 C ATOM 376 O SER A 27 3.414 11.882 -1.547 1.00 0.00 O ATOM 377 CB SER A 27 4.309 11.974 -4.296 1.00 0.00 C ATOM 378 OG SER A 27 5.582 11.576 -3.818 1.00 0.00 O ATOM 0 H SER A 27 1.712 12.500 -3.882 1.00 0.00 H new ATOM 0 HA SER A 27 3.345 10.055 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.311 11.978 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.099 12.994 -3.974 1.00 0.00 H new ATOM 0 HG SER A 27 6.266 12.190 -4.159 1.00 0.00 H new ATOM 384 N ILE A 28 3.291 9.649 -1.801 1.00 0.00 N ATOM 385 CA ILE A 28 3.383 9.373 -0.372 1.00 0.00 C ATOM 386 C ILE A 28 4.754 8.814 -0.008 1.00 0.00 C ATOM 387 O ILE A 28 5.295 7.959 -0.709 1.00 0.00 O ATOM 388 CB ILE A 28 2.298 8.377 0.079 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.345 7.113 -0.782 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.922 9.023 0.006 1.00 0.00 C ATOM 391 CD1 ILE A 28 1.833 5.879 -0.072 1.00 0.00 C ATOM 0 H ILE A 28 3.209 8.818 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 28 3.231 10.321 0.144 1.00 0.00 H new ATOM 0 HB ILE A 28 2.492 8.096 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.754 7.275 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.372 6.939 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.166 8.307 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.895 9.896 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.718 9.329 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.896 5.021 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.439 5.692 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.795 6.033 0.223 1.00 0.00 H new ATOM 403 N LYS A 29 5.311 9.301 1.096 1.00 0.00 N ATOM 404 CA LYS A 29 6.618 8.849 1.558 1.00 0.00 C ATOM 405 C LYS A 29 6.477 7.894 2.739 1.00 0.00 C ATOM 406 O LYS A 29 5.714 8.150 3.670 1.00 0.00 O ATOM 407 CB LYS A 29 7.483 10.046 1.957 1.00 0.00 C ATOM 408 CG LYS A 29 8.946 9.697 2.166 1.00 0.00 C ATOM 409 CD LYS A 29 9.225 9.304 3.607 1.00 0.00 C ATOM 410 CE LYS A 29 10.646 9.659 4.017 1.00 0.00 C ATOM 411 NZ LYS A 29 10.742 11.052 4.534 1.00 0.00 N ATOM 0 H LYS A 29 4.877 10.009 1.688 1.00 0.00 H new ATOM 0 HA LYS A 29 7.101 8.317 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.408 10.811 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.087 10.480 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.224 8.877 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.567 10.550 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.518 9.808 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.067 8.233 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.988 8.963 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.311 9.543 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.582 11.515 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.890 11.583 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.822 11.033 5.571 1.00 0.00 H new ATOM 425 N VAL A 30 7.219 6.792 2.695 1.00 0.00 N ATOM 426 CA VAL A 30 7.179 5.800 3.762 1.00 0.00 C ATOM 427 C VAL A 30 8.399 5.919 4.669 1.00 0.00 C ATOM 428 O VAL A 30 9.511 5.566 4.279 1.00 0.00 O ATOM 429 CB VAL A 30 7.111 4.369 3.196 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.126 3.348 4.324 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.875 4.198 2.327 1.00 0.00 C ATOM 0 H VAL A 30 7.855 6.564 1.931 1.00 0.00 H new ATOM 0 HA VAL A 30 6.278 5.996 4.343 1.00 0.00 H new ATOM 0 HB VAL A 30 7.990 4.200 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.077 2.343 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.044 3.457 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.267 3.512 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.843 3.181 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.982 4.385 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.912 4.905 1.498 1.00 0.00 H new ATOM 441 N GLN A 31 8.181 6.418 5.882 1.00 0.00 N ATOM 442 CA GLN A 31 9.263 6.584 6.845 1.00 0.00 C ATOM 443 C GLN A 31 9.686 5.238 7.425 1.00 0.00 C ATOM 444 O GLN A 31 9.117 4.769 8.411 1.00 0.00 O ATOM 445 CB GLN A 31 8.833 7.525 7.971 1.00 0.00 C ATOM 446 CG GLN A 31 9.993 8.056 8.797 1.00 0.00 C ATOM 447 CD GLN A 31 11.127 8.584 7.940 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.902 9.309 6.971 1.00 0.00 O ATOM 449 NE2 GLN A 31 12.355 8.223 8.295 1.00 0.00 N ATOM 0 H GLN A 31 7.266 6.714 6.221 1.00 0.00 H new ATOM 0 HA GLN A 31 10.116 7.019 6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.288 8.366 7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.141 6.999 8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.635 8.852 9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.369 7.261 9.441 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.495 7.620 9.106 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.158 8.548 7.757 1.00 0.00 H new ATOM 458 N VAL A 32 10.688 4.621 6.807 1.00 0.00 N ATOM 459 CA VAL A 32 11.188 3.330 7.263 1.00 0.00 C ATOM 460 C VAL A 32 12.125 3.492 8.455 1.00 0.00 C ATOM 461 O VAL A 32 13.168 4.142 8.372 1.00 0.00 O ATOM 462 CB VAL A 32 11.931 2.586 6.137 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.383 1.214 6.611 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.049 2.470 4.903 1.00 0.00 C ATOM 0 H VAL A 32 11.169 4.995 5.989 1.00 0.00 H new ATOM 0 HA VAL A 32 10.320 2.744 7.565 1.00 0.00 H new ATOM 0 HB VAL A 32 12.817 3.161 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.906 0.704 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.054 1.326 7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.514 0.627 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.590 1.942 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.143 1.918 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.781 3.467 4.552 1.00 0.00 H new ATOM 474 N PRO A 33 11.748 2.889 9.591 1.00 0.00 N ATOM 475 CA PRO A 33 12.541 2.951 10.822 1.00 0.00 C ATOM 476 C PRO A 33 13.839 2.157 10.717 1.00 0.00 C ATOM 477 O PRO A 33 14.141 1.581 9.673 1.00 0.00 O ATOM 478 CB PRO A 33 11.617 2.329 11.872 1.00 0.00 C ATOM 479 CG PRO A 33 10.712 1.434 11.097 1.00 0.00 C ATOM 480 CD PRO A 33 10.517 2.098 9.762 1.00 0.00 C ATOM 0 HA PRO A 33 12.850 3.970 11.056 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.184 1.770 12.617 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.054 3.094 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.150 0.443 10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.760 1.303 11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.395 1.366 8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.629 2.730 9.753 1.00 0.00 H new ATOM 488 N ASN A 34 14.601 2.131 11.805 1.00 0.00 N ATOM 489 CA ASN A 34 15.867 1.407 11.834 1.00 0.00 C ATOM 490 C ASN A 34 15.909 0.431 13.006 1.00 0.00 C ATOM 491 O ASN A 34 16.222 0.813 14.133 1.00 0.00 O ATOM 492 CB ASN A 34 17.037 2.388 11.930 1.00 0.00 C ATOM 493 CG ASN A 34 18.377 1.683 12.014 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.447 0.492 12.319 1.00 0.00 O ATOM 495 ND2 ASN A 34 19.450 2.417 11.743 1.00 0.00 N ATOM 0 H ASN A 34 14.364 2.603 12.678 1.00 0.00 H new ATOM 0 HA ASN A 34 15.953 0.839 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.029 3.045 11.060 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.906 3.020 12.808 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.379 1.997 11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.345 3.401 11.495 1.00 0.00 H new ATOM 502 N MET A 35 15.592 -0.830 12.731 1.00 0.00 N ATOM 503 CA MET A 35 15.596 -1.861 13.762 1.00 0.00 C ATOM 504 C MET A 35 16.898 -2.654 13.733 1.00 0.00 C ATOM 505 O MET A 35 17.046 -3.591 12.948 1.00 0.00 O ATOM 506 CB MET A 35 14.406 -2.803 13.574 1.00 0.00 C ATOM 507 CG MET A 35 13.153 -2.354 14.309 1.00 0.00 C ATOM 508 SD MET A 35 11.928 -3.669 14.460 1.00 0.00 S ATOM 509 CE MET A 35 10.409 -2.741 14.259 1.00 0.00 C ATOM 0 H MET A 35 15.329 -1.162 11.803 1.00 0.00 H new ATOM 0 HA MET A 35 15.513 -1.371 14.732 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.183 -2.886 12.510 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.683 -3.799 13.920 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.426 -2.001 15.303 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.710 -1.509 13.782 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.556 -3.401 14.416 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.379 -1.930 14.987 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.366 -2.327 13.252 1.00 0.00 H new ATOM 519 N GLN A 36 17.837 -2.273 14.592 1.00 0.00 N ATOM 520 CA GLN A 36 19.127 -2.950 14.663 1.00 0.00 C ATOM 521 C GLN A 36 19.104 -4.058 15.710 1.00 0.00 C ATOM 522 O GLN A 36 19.685 -5.125 15.512 1.00 0.00 O ATOM 523 CB GLN A 36 20.236 -1.947 14.989 1.00 0.00 C ATOM 524 CG GLN A 36 19.778 -0.801 15.877 1.00 0.00 C ATOM 525 CD GLN A 36 20.927 0.067 16.348 1.00 0.00 C ATOM 526 OE1 GLN A 36 20.983 1.260 16.048 1.00 0.00 O ATOM 527 NE2 GLN A 36 21.854 -0.528 17.090 1.00 0.00 N ATOM 0 H GLN A 36 17.729 -1.500 15.248 1.00 0.00 H new ATOM 0 HA GLN A 36 19.327 -3.399 13.690 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.056 -2.471 15.480 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.631 -1.539 14.058 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.063 -0.186 15.330 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.254 -1.205 16.743 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.768 -1.519 17.315 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.652 0.006 17.435 1.00 0.00 H new ATOM 536 N ASP A 37 18.429 -3.798 16.824 1.00 0.00 N ATOM 537 CA ASP A 37 18.329 -4.774 17.903 1.00 0.00 C ATOM 538 C ASP A 37 18.149 -6.183 17.347 1.00 0.00 C ATOM 539 O ASP A 37 19.049 -7.018 17.438 1.00 0.00 O ATOM 540 CB ASP A 37 17.163 -4.425 18.829 1.00 0.00 C ATOM 541 CG ASP A 37 17.356 -4.965 20.233 1.00 0.00 C ATOM 542 OD1 ASP A 37 17.897 -6.082 20.370 1.00 0.00 O ATOM 543 OD2 ASP A 37 16.968 -4.269 21.194 1.00 0.00 O ATOM 0 H ASP A 37 17.943 -2.920 17.004 1.00 0.00 H new ATOM 0 HA ASP A 37 19.257 -4.744 18.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.049 -3.342 18.872 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.239 -4.827 18.412 1.00 0.00 H new ATOM 548 N LYS A 38 16.980 -6.441 16.771 1.00 0.00 N ATOM 549 CA LYS A 38 16.680 -7.748 16.199 1.00 0.00 C ATOM 550 C LYS A 38 15.337 -7.731 15.475 1.00 0.00 C ATOM 551 O LYS A 38 14.323 -7.315 16.036 1.00 0.00 O ATOM 552 CB LYS A 38 16.667 -8.817 17.294 1.00 0.00 C ATOM 553 CG LYS A 38 16.852 -10.229 16.769 1.00 0.00 C ATOM 554 CD LYS A 38 18.279 -10.470 16.307 1.00 0.00 C ATOM 555 CE LYS A 38 19.216 -10.691 17.485 1.00 0.00 C ATOM 556 NZ LYS A 38 19.019 -12.030 18.108 1.00 0.00 N ATOM 0 H LYS A 38 16.224 -5.761 16.688 1.00 0.00 H new ATOM 0 HA LYS A 38 17.460 -7.987 15.476 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.458 -8.599 18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.722 -8.760 17.834 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.596 -10.945 17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.166 -10.403 15.940 1.00 0.00 H new ATOM 0 HD2 LYS A 38 18.308 -11.339 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.622 -9.616 15.723 1.00 0.00 H new ATOM 0 HE2 LYS A 38 20.249 -10.595 17.150 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.049 -9.915 18.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.800 -12.225 18.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.118 -12.042 18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.002 -12.759 17.366 1.00 0.00 H new ATOM 570 N THR A 39 15.336 -8.186 14.226 1.00 0.00 N ATOM 571 CA THR A 39 14.119 -8.223 13.427 1.00 0.00 C ATOM 572 C THR A 39 14.362 -8.906 12.086 1.00 0.00 C ATOM 573 O THR A 39 15.491 -8.954 11.599 1.00 0.00 O ATOM 574 CB THR A 39 13.568 -6.806 13.176 1.00 0.00 C ATOM 575 OG1 THR A 39 12.266 -6.884 12.585 1.00 0.00 O ATOM 576 CG2 THR A 39 14.497 -6.018 12.265 1.00 0.00 C ATOM 0 H THR A 39 16.166 -8.534 13.746 1.00 0.00 H new ATOM 0 HA THR A 39 13.385 -8.795 13.995 1.00 0.00 H new ATOM 0 HB THR A 39 13.501 -6.291 14.134 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.971 -5.987 12.324 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.087 -5.021 12.102 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.479 -5.935 12.731 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.591 -6.532 11.309 1.00 0.00 H new ATOM 584 N GLU A 40 13.295 -9.433 11.493 1.00 0.00 N ATOM 585 CA GLU A 40 13.394 -10.113 10.207 1.00 0.00 C ATOM 586 C GLU A 40 12.865 -9.230 9.081 1.00 0.00 C ATOM 587 O GLU A 40 12.189 -9.706 8.170 1.00 0.00 O ATOM 588 CB GLU A 40 12.619 -11.432 10.242 1.00 0.00 C ATOM 589 CG GLU A 40 11.142 -11.262 10.557 1.00 0.00 C ATOM 590 CD GLU A 40 10.885 -11.005 12.029 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.622 -11.565 12.867 1.00 0.00 O ATOM 592 OE2 GLU A 40 9.947 -10.243 12.342 1.00 0.00 O ATOM 0 H GLU A 40 12.353 -9.402 11.883 1.00 0.00 H new ATOM 0 HA GLU A 40 14.447 -10.322 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.721 -11.929 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.068 -12.088 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.743 -10.433 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.603 -12.158 10.249 1.00 0.00 H new ATOM 599 N TRP A 41 13.178 -7.941 9.153 1.00 0.00 N ATOM 600 CA TRP A 41 12.734 -6.990 8.140 1.00 0.00 C ATOM 601 C TRP A 41 13.867 -6.049 7.744 1.00 0.00 C ATOM 602 O TRP A 41 14.887 -5.965 8.428 1.00 0.00 O ATOM 603 CB TRP A 41 11.541 -6.184 8.656 1.00 0.00 C ATOM 604 CG TRP A 41 10.458 -7.036 9.244 1.00 0.00 C ATOM 605 CD1 TRP A 41 9.957 -8.197 8.727 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.741 -6.793 10.459 1.00 0.00 C ATOM 607 NE1 TRP A 41 8.972 -8.691 9.548 1.00 0.00 N ATOM 608 CE2 TRP A 41 8.821 -7.848 10.618 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.788 -5.789 11.430 1.00 0.00 C ATOM 610 CZ2 TRP A 41 7.956 -7.924 11.706 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.929 -5.866 12.509 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.024 -6.927 12.641 1.00 0.00 C ATOM 0 H TRP A 41 13.737 -7.531 9.901 1.00 0.00 H new ATOM 0 HA TRP A 41 12.429 -7.552 7.258 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.888 -5.478 9.411 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.127 -5.597 7.836 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.287 -8.659 7.808 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.440 -9.546 9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.483 -4.968 11.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.256 -8.740 11.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.956 -5.094 13.264 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.367 -6.959 13.498 1.00 0.00 H new ATOM 623 N LYS A 42 13.681 -5.341 6.635 1.00 0.00 N ATOM 624 CA LYS A 42 14.686 -4.404 6.147 1.00 0.00 C ATOM 625 C LYS A 42 14.440 -3.005 6.703 1.00 0.00 C ATOM 626 O LYS A 42 13.785 -2.179 6.066 1.00 0.00 O ATOM 627 CB LYS A 42 14.678 -4.365 4.617 1.00 0.00 C ATOM 628 CG LYS A 42 14.974 -5.708 3.973 1.00 0.00 C ATOM 629 CD LYS A 42 16.465 -5.908 3.761 1.00 0.00 C ATOM 630 CE LYS A 42 16.741 -7.009 2.748 1.00 0.00 C ATOM 631 NZ LYS A 42 16.821 -6.477 1.359 1.00 0.00 N ATOM 0 H LYS A 42 12.843 -5.398 6.057 1.00 0.00 H new ATOM 0 HA LYS A 42 15.662 -4.746 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.704 -4.015 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.415 -3.638 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.585 -6.508 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.457 -5.775 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.913 -4.976 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.938 -6.159 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.676 -7.508 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.953 -7.760 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.010 -7.258 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.920 -6.023 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.589 -5.779 1.298 1.00 0.00 H new ATOM 645 N LEU A 43 14.970 -2.744 7.893 1.00 0.00 N ATOM 646 CA LEU A 43 14.810 -1.444 8.534 1.00 0.00 C ATOM 647 C LEU A 43 16.165 -0.836 8.880 1.00 0.00 C ATOM 648 O LEU A 43 16.798 -1.224 9.861 1.00 0.00 O ATOM 649 CB LEU A 43 13.961 -1.578 9.800 1.00 0.00 C ATOM 650 CG LEU A 43 12.580 -2.210 9.618 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.822 -2.225 10.936 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.789 -1.465 8.553 1.00 0.00 C ATOM 0 H LEU A 43 15.515 -3.416 8.434 1.00 0.00 H new ATOM 0 HA LEU A 43 14.304 -0.781 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.517 -2.171 10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.830 -0.586 10.233 1.00 0.00 H new ATOM 0 HG LEU A 43 12.713 -3.240 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.842 -2.678 10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.381 -2.804 11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.698 -1.204 11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.809 -1.928 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.665 -0.424 8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.325 -1.508 7.605 1.00 0.00 H new ATOM 664 N ASN A 44 16.604 0.120 8.068 1.00 0.00 N ATOM 665 CA ASN A 44 17.884 0.784 8.289 1.00 0.00 C ATOM 666 C ASN A 44 17.750 2.294 8.124 1.00 0.00 C ATOM 667 O ASN A 44 18.504 2.917 7.378 1.00 0.00 O ATOM 668 CB ASN A 44 18.935 0.245 7.317 1.00 0.00 C ATOM 669 CG ASN A 44 19.648 -0.980 7.857 1.00 0.00 C ATOM 670 OD1 ASN A 44 20.773 -0.890 8.350 1.00 0.00 O ATOM 671 ND2 ASN A 44 18.996 -2.133 7.765 1.00 0.00 N ATOM 0 H ASN A 44 16.092 0.453 7.251 1.00 0.00 H new ATOM 0 HA ASN A 44 18.202 0.575 9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.456 -0.005 6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.667 1.025 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.426 -2.991 8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 44 18.065 -2.161 7.349 1.00 0.00 H new ATOM 678 N GLY A 45 16.783 2.877 8.827 1.00 0.00 N ATOM 679 CA GLY A 45 16.568 4.310 8.745 1.00 0.00 C ATOM 680 C GLY A 45 16.631 4.826 7.321 1.00 0.00 C ATOM 681 O GLY A 45 17.693 5.230 6.849 1.00 0.00 O ATOM 0 H GLY A 45 16.145 2.383 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.596 4.553 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.319 4.822 9.347 1.00 0.00 H new ATOM 685 N GLN A 46 15.492 4.810 6.636 1.00 0.00 N ATOM 686 CA GLN A 46 15.425 5.278 5.257 1.00 0.00 C ATOM 687 C GLN A 46 14.004 5.697 4.893 1.00 0.00 C ATOM 688 O GLN A 46 13.101 5.653 5.727 1.00 0.00 O ATOM 689 CB GLN A 46 15.907 4.185 4.301 1.00 0.00 C ATOM 690 CG GLN A 46 15.035 2.939 4.313 1.00 0.00 C ATOM 691 CD GLN A 46 15.649 1.790 3.537 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.685 1.947 2.889 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.012 0.627 3.598 1.00 0.00 N ATOM 0 H GLN A 46 14.604 4.478 7.013 1.00 0.00 H new ATOM 0 HA GLN A 46 16.076 6.147 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.938 4.587 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.927 3.907 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.867 2.628 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.060 3.179 3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.157 0.542 4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.378 -0.182 3.096 1.00 0.00 H new ATOM 702 N GLY A 47 13.814 6.104 3.642 1.00 0.00 N ATOM 703 CA GLY A 47 12.501 6.527 3.190 1.00 0.00 C ATOM 704 C GLY A 47 12.160 5.988 1.815 1.00 0.00 C ATOM 705 O GLY A 47 12.973 6.062 0.892 1.00 0.00 O ATOM 0 H GLY A 47 14.546 6.148 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.749 6.193 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.460 7.616 3.170 1.00 0.00 H new ATOM 709 N LEU A 48 10.957 5.443 1.677 1.00 0.00 N ATOM 710 CA LEU A 48 10.510 4.887 0.404 1.00 0.00 C ATOM 711 C LEU A 48 9.282 5.629 -0.113 1.00 0.00 C ATOM 712 O LEU A 48 8.223 5.612 0.516 1.00 0.00 O ATOM 713 CB LEU A 48 10.194 3.398 0.558 1.00 0.00 C ATOM 714 CG LEU A 48 11.310 2.532 1.143 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.856 1.085 1.261 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.565 2.631 0.288 1.00 0.00 C ATOM 0 H LEU A 48 10.273 5.374 2.431 1.00 0.00 H new ATOM 0 HA LEU A 48 11.316 5.008 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.313 3.298 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.928 3.000 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 48 11.545 2.900 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.663 0.483 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.985 1.029 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.594 0.704 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.349 2.008 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.344 2.289 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.902 3.667 0.255 1.00 0.00 H new ATOM 728 N VAL A 49 9.429 6.278 -1.263 1.00 0.00 N ATOM 729 CA VAL A 49 8.331 7.023 -1.866 1.00 0.00 C ATOM 730 C VAL A 49 7.678 6.226 -2.990 1.00 0.00 C ATOM 731 O VAL A 49 8.346 5.482 -3.708 1.00 0.00 O ATOM 732 CB VAL A 49 8.811 8.377 -2.424 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.652 9.136 -3.052 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.468 9.201 -1.328 1.00 0.00 C ATOM 0 H VAL A 49 10.298 6.303 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 49 7.599 7.201 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 49 9.553 8.189 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.010 10.090 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.230 8.547 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.884 9.316 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.801 10.154 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.749 9.382 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.325 8.658 -0.929 1.00 0.00 H new ATOM 744 N PHE A 50 6.367 6.387 -3.137 1.00 0.00 N ATOM 745 CA PHE A 50 5.621 5.681 -4.173 1.00 0.00 C ATOM 746 C PHE A 50 4.464 6.533 -4.686 1.00 0.00 C ATOM 747 O PHE A 50 3.505 6.801 -3.961 1.00 0.00 O ATOM 748 CB PHE A 50 5.091 4.351 -3.633 1.00 0.00 C ATOM 749 CG PHE A 50 6.124 3.549 -2.894 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.228 3.038 -3.557 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.990 3.306 -1.537 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.180 2.300 -2.880 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.940 2.570 -0.854 1.00 0.00 C ATOM 754 CZ PHE A 50 8.035 2.065 -1.527 1.00 0.00 C ATOM 0 H PHE A 50 5.799 7.000 -2.552 1.00 0.00 H new ATOM 0 HA PHE A 50 6.299 5.483 -5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.251 4.548 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.708 3.758 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.346 3.219 -4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.134 3.696 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.036 1.908 -3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.826 2.390 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.777 1.487 -0.996 1.00 0.00 H new ATOM 764 N THR A 51 4.560 6.958 -5.942 1.00 0.00 N ATOM 765 CA THR A 51 3.524 7.780 -6.552 1.00 0.00 C ATOM 766 C THR A 51 2.433 6.917 -7.176 1.00 0.00 C ATOM 767 O THR A 51 2.609 6.364 -8.262 1.00 0.00 O ATOM 768 CB THR A 51 4.108 8.709 -7.633 1.00 0.00 C ATOM 769 OG1 THR A 51 5.117 9.550 -7.064 1.00 0.00 O ATOM 770 CG2 THR A 51 3.017 9.568 -8.256 1.00 0.00 C ATOM 0 H THR A 51 5.346 6.746 -6.557 1.00 0.00 H new ATOM 0 HA THR A 51 3.093 8.387 -5.756 1.00 0.00 H new ATOM 0 HB THR A 51 4.550 8.089 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.484 10.136 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.454 10.216 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.265 8.925 -8.715 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.550 10.179 -7.484 1.00 0.00 H new ATOM 778 N LEU A 52 1.305 6.806 -6.482 1.00 0.00 N ATOM 779 CA LEU A 52 0.184 6.010 -6.969 1.00 0.00 C ATOM 780 C LEU A 52 -1.141 6.720 -6.710 1.00 0.00 C ATOM 781 O LEU A 52 -1.355 7.323 -5.658 1.00 0.00 O ATOM 782 CB LEU A 52 0.179 4.636 -6.297 1.00 0.00 C ATOM 783 CG LEU A 52 1.548 3.990 -6.079 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.508 3.041 -4.891 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.997 3.257 -7.334 1.00 0.00 C ATOM 0 H LEU A 52 1.143 7.257 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 52 0.302 5.881 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.315 4.729 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.427 3.961 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 52 2.270 4.778 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.491 2.591 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.231 3.594 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.773 2.257 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.973 2.803 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.274 2.479 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.066 3.962 -8.162 1.00 0.00 H new ATOM 797 N PRO A 53 -2.054 6.646 -7.690 1.00 0.00 N ATOM 798 CA PRO A 53 -3.375 7.274 -7.590 1.00 0.00 C ATOM 799 C PRO A 53 -4.271 6.580 -6.569 1.00 0.00 C ATOM 800 O PRO A 53 -4.103 5.393 -6.286 1.00 0.00 O ATOM 801 CB PRO A 53 -3.950 7.117 -9.000 1.00 0.00 C ATOM 802 CG PRO A 53 -3.248 5.930 -9.565 1.00 0.00 C ATOM 803 CD PRO A 53 -1.867 5.943 -8.970 1.00 0.00 C ATOM 0 HA PRO A 53 -3.310 8.309 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.029 6.963 -8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.770 8.007 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.773 5.009 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.205 5.984 -10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.484 4.933 -8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.157 6.462 -9.614 1.00 0.00 H new ATOM 811 N LEU A 54 -5.222 7.327 -6.020 1.00 0.00 N ATOM 812 CA LEU A 54 -6.146 6.783 -5.030 1.00 0.00 C ATOM 813 C LEU A 54 -7.403 6.238 -5.700 1.00 0.00 C ATOM 814 O LEU A 54 -8.409 6.939 -5.822 1.00 0.00 O ATOM 815 CB LEU A 54 -6.523 7.859 -4.010 1.00 0.00 C ATOM 816 CG LEU A 54 -5.371 8.711 -3.476 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.190 9.958 -4.328 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.615 9.087 -2.022 1.00 0.00 C ATOM 0 H LEU A 54 -5.374 8.311 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.646 5.962 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.258 8.522 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.012 7.375 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.455 8.123 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.366 10.552 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.969 9.668 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.106 10.549 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.785 9.693 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.541 9.656 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.694 8.182 -1.420 1.00 0.00 H new ATOM 830 N THR A 55 -7.341 4.982 -6.132 1.00 0.00 N ATOM 831 CA THR A 55 -8.474 4.343 -6.789 1.00 0.00 C ATOM 832 C THR A 55 -8.825 3.021 -6.116 1.00 0.00 C ATOM 833 O THR A 55 -9.997 2.659 -6.010 1.00 0.00 O ATOM 834 CB THR A 55 -8.187 4.086 -8.280 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.870 3.549 -8.440 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.319 5.370 -9.085 1.00 0.00 C ATOM 0 H THR A 55 -6.518 4.387 -6.038 1.00 0.00 H new ATOM 0 HA THR A 55 -9.317 5.028 -6.702 1.00 0.00 H new ATOM 0 HB THR A 55 -8.918 3.367 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.696 3.387 -9.391 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.112 5.164 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.332 5.760 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.608 6.108 -8.713 1.00 0.00 H new ATOM 844 N ASP A 56 -7.803 2.305 -5.660 1.00 0.00 N ATOM 845 CA ASP A 56 -8.005 1.023 -4.995 1.00 0.00 C ATOM 846 C ASP A 56 -7.851 1.165 -3.484 1.00 0.00 C ATOM 847 O ASP A 56 -7.675 2.269 -2.970 1.00 0.00 O ATOM 848 CB ASP A 56 -7.012 -0.013 -5.526 1.00 0.00 C ATOM 849 CG ASP A 56 -7.559 -0.785 -6.711 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.604 -0.214 -7.820 1.00 0.00 O ATOM 851 OD2 ASP A 56 -7.943 -1.959 -6.529 1.00 0.00 O ATOM 0 H ASP A 56 -6.827 2.590 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.019 0.686 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.089 0.489 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.757 -0.710 -4.728 1.00 0.00 H new ATOM 856 N GLN A 57 -7.920 0.040 -2.779 1.00 0.00 N ATOM 857 CA GLN A 57 -7.790 0.040 -1.327 1.00 0.00 C ATOM 858 C GLN A 57 -6.370 0.403 -0.907 1.00 0.00 C ATOM 859 O GLN A 57 -5.489 0.579 -1.749 1.00 0.00 O ATOM 860 CB GLN A 57 -8.169 -1.329 -0.759 1.00 0.00 C ATOM 861 CG GLN A 57 -9.649 -1.652 -0.886 1.00 0.00 C ATOM 862 CD GLN A 57 -9.924 -3.143 -0.875 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.147 -3.933 -1.412 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.033 -3.536 -0.261 1.00 0.00 N ATOM 0 H GLN A 57 -8.065 -0.882 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.470 0.792 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.592 -2.098 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.886 -1.368 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.192 -1.180 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.033 -1.222 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.649 -2.847 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.270 -4.527 -0.221 1.00 0.00 H new ATOM 873 N VAL A 58 -6.154 0.512 0.400 1.00 0.00 N ATOM 874 CA VAL A 58 -4.840 0.853 0.932 1.00 0.00 C ATOM 875 C VAL A 58 -3.879 -0.325 0.819 1.00 0.00 C ATOM 876 O VAL A 58 -2.667 -0.168 0.968 1.00 0.00 O ATOM 877 CB VAL A 58 -4.927 1.291 2.406 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.551 1.672 2.932 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.904 2.447 2.561 1.00 0.00 C ATOM 0 H VAL A 58 -6.872 0.369 1.110 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.463 1.684 0.336 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.296 0.451 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.632 1.979 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.883 0.814 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.151 2.496 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.953 2.744 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.567 3.292 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.893 2.135 2.225 1.00 0.00 H new ATOM 889 N SER A 59 -4.428 -1.506 0.555 1.00 0.00 N ATOM 890 CA SER A 59 -3.620 -2.713 0.426 1.00 0.00 C ATOM 891 C SER A 59 -2.601 -2.567 -0.701 1.00 0.00 C ATOM 892 O SER A 59 -1.416 -2.846 -0.522 1.00 0.00 O ATOM 893 CB SER A 59 -4.515 -3.926 0.165 1.00 0.00 C ATOM 894 OG SER A 59 -5.265 -3.760 -1.027 1.00 0.00 O ATOM 0 H SER A 59 -5.429 -1.653 0.426 1.00 0.00 H new ATOM 0 HA SER A 59 -3.082 -2.862 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.902 -4.825 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.192 -4.070 1.007 1.00 0.00 H new ATOM 0 HG SER A 59 -5.827 -4.549 -1.172 1.00 0.00 H new ATOM 900 N VAL A 60 -3.073 -2.127 -1.863 1.00 0.00 N ATOM 901 CA VAL A 60 -2.205 -1.942 -3.020 1.00 0.00 C ATOM 902 C VAL A 60 -0.931 -1.197 -2.637 1.00 0.00 C ATOM 903 O VAL A 60 0.073 -1.259 -3.347 1.00 0.00 O ATOM 904 CB VAL A 60 -2.922 -1.168 -4.142 1.00 0.00 C ATOM 905 CG1 VAL A 60 -4.125 -1.950 -4.646 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.339 0.212 -3.654 1.00 0.00 C ATOM 0 H VAL A 60 -4.052 -1.892 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.946 -2.936 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.228 -1.041 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.619 -1.387 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.796 -2.913 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.824 -2.111 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.844 0.745 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.016 0.109 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.456 0.772 -3.347 1.00 0.00 H new ATOM 916 N ILE A 61 -0.979 -0.494 -1.510 1.00 0.00 N ATOM 917 CA ILE A 61 0.172 0.262 -1.032 1.00 0.00 C ATOM 918 C ILE A 61 1.083 -0.609 -0.174 1.00 0.00 C ATOM 919 O ILE A 61 2.307 -0.560 -0.301 1.00 0.00 O ATOM 920 CB ILE A 61 -0.263 1.493 -0.215 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.938 2.523 -1.123 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.935 2.107 0.494 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.434 2.337 -1.240 1.00 0.00 C ATOM 0 H ILE A 61 -1.802 -0.432 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 61 0.719 0.597 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.983 1.175 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.733 3.523 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.494 2.465 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.612 2.976 1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.376 1.371 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.676 2.414 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.845 3.102 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.647 1.351 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.890 2.424 -0.254 1.00 0.00 H new ATOM 935 N LYS A 62 0.478 -1.406 0.700 1.00 0.00 N ATOM 936 CA LYS A 62 1.233 -2.292 1.579 1.00 0.00 C ATOM 937 C LYS A 62 1.983 -3.348 0.773 1.00 0.00 C ATOM 938 O LYS A 62 3.071 -3.779 1.156 1.00 0.00 O ATOM 939 CB LYS A 62 0.297 -2.969 2.582 1.00 0.00 C ATOM 940 CG LYS A 62 -0.507 -1.990 3.420 1.00 0.00 C ATOM 941 CD LYS A 62 -0.962 -2.617 4.727 1.00 0.00 C ATOM 942 CE LYS A 62 -1.272 -1.558 5.775 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.697 -1.128 5.723 1.00 0.00 N ATOM 0 H LYS A 62 -0.534 -1.457 0.819 1.00 0.00 H new ATOM 0 HA LYS A 62 1.961 -1.690 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.389 -3.622 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.886 -3.604 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.097 -1.107 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.376 -1.654 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.848 -3.226 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.186 -3.285 5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.047 -1.951 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.626 -0.694 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.869 -0.406 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.905 -0.730 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.313 -1.948 5.896 1.00 0.00 H new ATOM 957 N VAL A 63 1.394 -3.761 -0.345 1.00 0.00 N ATOM 958 CA VAL A 63 2.007 -4.766 -1.205 1.00 0.00 C ATOM 959 C VAL A 63 3.341 -4.277 -1.757 1.00 0.00 C ATOM 960 O VAL A 63 4.222 -5.074 -2.081 1.00 0.00 O ATOM 961 CB VAL A 63 1.083 -5.137 -2.381 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.989 -3.985 -3.370 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.577 -6.401 -3.068 1.00 0.00 C ATOM 0 H VAL A 63 0.493 -3.415 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 63 2.174 -5.650 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 63 0.084 -5.330 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.332 -4.265 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.586 -3.106 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.982 -3.757 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.913 -6.648 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.586 -6.238 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.587 -7.224 -2.353 1.00 0.00 H new ATOM 973 N LYS A 64 3.486 -2.960 -1.859 1.00 0.00 N ATOM 974 CA LYS A 64 4.714 -2.362 -2.369 1.00 0.00 C ATOM 975 C LYS A 64 5.860 -2.546 -1.380 1.00 0.00 C ATOM 976 O LYS A 64 6.958 -2.956 -1.758 1.00 0.00 O ATOM 977 CB LYS A 64 4.502 -0.872 -2.649 1.00 0.00 C ATOM 978 CG LYS A 64 3.369 -0.591 -3.621 1.00 0.00 C ATOM 979 CD LYS A 64 3.768 -0.911 -5.051 1.00 0.00 C ATOM 980 CE LYS A 64 2.570 -1.347 -5.880 1.00 0.00 C ATOM 981 NZ LYS A 64 1.903 -0.191 -6.542 1.00 0.00 N ATOM 0 H LYS A 64 2.767 -2.286 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 64 4.975 -2.867 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.298 -0.360 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.425 -0.451 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.496 -1.183 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.079 0.457 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.227 -0.034 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.519 -1.701 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.893 -2.062 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.854 -1.862 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.874 -0.340 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.124 0.682 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.245 -0.107 -7.521 1.00 0.00 H new ATOM 995 N ILE A 65 5.598 -2.242 -0.114 1.00 0.00 N ATOM 996 CA ILE A 65 6.607 -2.377 0.929 1.00 0.00 C ATOM 997 C ILE A 65 7.218 -3.774 0.925 1.00 0.00 C ATOM 998 O ILE A 65 8.407 -3.944 0.653 1.00 0.00 O ATOM 999 CB ILE A 65 6.019 -2.089 2.323 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.378 -0.700 2.353 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.100 -2.204 3.387 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.526 -0.455 3.578 1.00 0.00 C ATOM 0 H ILE A 65 4.695 -1.900 0.215 1.00 0.00 H new ATOM 0 HA ILE A 65 7.383 -1.643 0.714 1.00 0.00 H new ATOM 0 HB ILE A 65 5.247 -2.828 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.163 0.055 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.764 -0.573 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.669 -1.998 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.514 -3.212 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.892 -1.484 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.104 0.549 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.719 -1.187 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.140 -0.550 4.473 1.00 0.00 H new ATOM 1014 N HIS A 66 6.395 -4.774 1.227 1.00 0.00 N ATOM 1015 CA HIS A 66 6.854 -6.159 1.257 1.00 0.00 C ATOM 1016 C HIS A 66 7.737 -6.464 0.051 1.00 0.00 C ATOM 1017 O HIS A 66 8.596 -7.343 0.107 1.00 0.00 O ATOM 1018 CB HIS A 66 5.659 -7.113 1.284 1.00 0.00 C ATOM 1019 CG HIS A 66 6.048 -8.559 1.294 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.210 -9.303 0.144 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.309 -9.399 2.323 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.553 -10.538 0.465 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.620 -10.622 1.782 1.00 0.00 N ATOM 0 H HIS A 66 5.408 -4.651 1.454 1.00 0.00 H new ATOM 0 HA HIS A 66 7.444 -6.302 2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.055 -6.901 2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.031 -6.920 0.414 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.278 -9.153 3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.746 -11.342 -0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.863 -11.460 2.311 1.00 0.00 H new ATOM 1032 N GLU A 67 7.517 -5.734 -1.038 1.00 0.00 N ATOM 1033 CA GLU A 67 8.292 -5.929 -2.257 1.00 0.00 C ATOM 1034 C GLU A 67 9.769 -5.627 -2.017 1.00 0.00 C ATOM 1035 O GLU A 67 10.626 -6.493 -2.189 1.00 0.00 O ATOM 1036 CB GLU A 67 7.754 -5.038 -3.379 1.00 0.00 C ATOM 1037 CG GLU A 67 7.865 -5.663 -4.759 1.00 0.00 C ATOM 1038 CD GLU A 67 9.207 -6.329 -4.992 1.00 0.00 C ATOM 1039 OE1 GLU A 67 10.240 -5.717 -4.650 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.224 -7.463 -5.516 1.00 0.00 O ATOM 0 H GLU A 67 6.809 -5.003 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 67 8.196 -6.973 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.708 -4.806 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.297 -4.093 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.071 -6.400 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.709 -4.894 -5.516 1.00 0.00 H new ATOM 1047 N ALA A 68 10.058 -4.392 -1.621 1.00 0.00 N ATOM 1048 CA ALA A 68 11.429 -3.976 -1.356 1.00 0.00 C ATOM 1049 C ALA A 68 11.933 -4.553 -0.037 1.00 0.00 C ATOM 1050 O ALA A 68 13.011 -5.146 0.022 1.00 0.00 O ATOM 1051 CB ALA A 68 11.526 -2.457 -1.341 1.00 0.00 C ATOM 0 H ALA A 68 9.360 -3.662 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 68 12.061 -4.362 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.556 -2.160 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.215 -2.063 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.876 -2.059 -0.562 1.00 0.00 H new ATOM 1057 N THR A 69 11.147 -4.375 1.020 1.00 0.00 N ATOM 1058 CA THR A 69 11.515 -4.877 2.338 1.00 0.00 C ATOM 1059 C THR A 69 10.835 -6.210 2.629 1.00 0.00 C ATOM 1060 O THR A 69 9.782 -6.515 2.071 1.00 0.00 O ATOM 1061 CB THR A 69 11.143 -3.872 3.445 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.721 -3.725 3.516 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.786 -2.518 3.185 1.00 0.00 C ATOM 0 H THR A 69 10.252 -3.887 0.989 1.00 0.00 H new ATOM 0 HA THR A 69 12.596 -5.018 2.332 1.00 0.00 H new ATOM 0 HB THR A 69 11.515 -4.257 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.325 -3.952 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.509 -1.825 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.870 -2.629 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.440 -2.129 2.227 1.00 0.00 H new ATOM 1071 N GLY A 70 11.443 -7.001 3.507 1.00 0.00 N ATOM 1072 CA GLY A 70 10.881 -8.292 3.857 1.00 0.00 C ATOM 1073 C GLY A 70 9.813 -8.189 4.927 1.00 0.00 C ATOM 1074 O GLY A 70 9.658 -9.092 5.749 1.00 0.00 O ATOM 0 H GLY A 70 12.315 -6.771 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.455 -8.753 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.678 -8.949 4.206 1.00 0.00 H new ATOM 1078 N MET A 71 9.075 -7.084 4.919 1.00 0.00 N ATOM 1079 CA MET A 71 8.015 -6.866 5.898 1.00 0.00 C ATOM 1080 C MET A 71 6.659 -7.272 5.330 1.00 0.00 C ATOM 1081 O MET A 71 6.320 -6.966 4.187 1.00 0.00 O ATOM 1082 CB MET A 71 7.982 -5.398 6.327 1.00 0.00 C ATOM 1083 CG MET A 71 7.456 -5.188 7.738 1.00 0.00 C ATOM 1084 SD MET A 71 8.012 -3.634 8.463 1.00 0.00 S ATOM 1085 CE MET A 71 7.272 -3.736 10.091 1.00 0.00 C ATOM 0 H MET A 71 9.191 -6.326 4.246 1.00 0.00 H new ATOM 0 HA MET A 71 8.225 -7.487 6.769 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.989 -4.985 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.360 -4.838 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.366 -5.207 7.722 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.780 -6.015 8.369 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.967 -3.341 10.832 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.352 -3.153 10.109 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.047 -4.777 10.324 1.00 0.00 H new ATOM 1095 N PRO A 72 5.863 -7.980 6.146 1.00 0.00 N ATOM 1096 CA PRO A 72 4.531 -8.443 5.746 1.00 0.00 C ATOM 1097 C PRO A 72 3.536 -7.297 5.609 1.00 0.00 C ATOM 1098 O PRO A 72 3.700 -6.243 6.222 1.00 0.00 O ATOM 1099 CB PRO A 72 4.121 -9.374 6.891 1.00 0.00 C ATOM 1100 CG PRO A 72 4.898 -8.892 8.067 1.00 0.00 C ATOM 1101 CD PRO A 72 6.202 -8.381 7.522 1.00 0.00 C ATOM 0 HA PRO A 72 4.544 -8.926 4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.048 -9.324 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.356 -10.413 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.360 -8.104 8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.063 -9.698 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.579 -7.540 8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.973 -9.151 7.538 1.00 0.00 H new ATOM 1109 N ALA A 73 2.502 -7.510 4.801 1.00 0.00 N ATOM 1110 CA ALA A 73 1.479 -6.495 4.586 1.00 0.00 C ATOM 1111 C ALA A 73 0.421 -6.540 5.684 1.00 0.00 C ATOM 1112 O ALA A 73 -0.777 -6.493 5.408 1.00 0.00 O ATOM 1113 CB ALA A 73 0.832 -6.678 3.221 1.00 0.00 C ATOM 0 H ALA A 73 2.351 -8.377 4.285 1.00 0.00 H new ATOM 0 HA ALA A 73 1.960 -5.518 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.070 -5.913 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.591 -6.588 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.371 -7.664 3.166 1.00 0.00 H new ATOM 1119 N GLY A 74 0.873 -6.632 6.931 1.00 0.00 N ATOM 1120 CA GLY A 74 -0.047 -6.683 8.052 1.00 0.00 C ATOM 1121 C GLY A 74 0.524 -6.041 9.301 1.00 0.00 C ATOM 1122 O GLY A 74 -0.013 -5.054 9.802 1.00 0.00 O ATOM 0 H GLY A 74 1.860 -6.672 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.974 -6.179 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.299 -7.722 8.264 1.00 0.00 H new ATOM 1126 N LYS A 75 1.616 -6.605 9.806 1.00 0.00 N ATOM 1127 CA LYS A 75 2.262 -6.083 11.005 1.00 0.00 C ATOM 1128 C LYS A 75 2.565 -4.596 10.856 1.00 0.00 C ATOM 1129 O LYS A 75 2.337 -3.812 11.778 1.00 0.00 O ATOM 1130 CB LYS A 75 3.554 -6.852 11.289 1.00 0.00 C ATOM 1131 CG LYS A 75 3.339 -8.138 12.067 1.00 0.00 C ATOM 1132 CD LYS A 75 4.633 -8.917 12.227 1.00 0.00 C ATOM 1133 CE LYS A 75 4.527 -9.954 13.334 1.00 0.00 C ATOM 1134 NZ LYS A 75 3.808 -11.177 12.881 1.00 0.00 N ATOM 0 H LYS A 75 2.072 -7.424 9.404 1.00 0.00 H new ATOM 0 HA LYS A 75 1.577 -6.214 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.042 -7.087 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.234 -6.209 11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.930 -7.905 13.050 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.603 -8.756 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.880 -9.411 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.448 -8.228 12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.526 -10.225 13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.006 -9.522 14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.757 -11.860 13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.846 -10.922 12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.319 -11.604 12.082 1.00 0.00 H new ATOM 1148 N GLN A 76 3.077 -4.214 9.691 1.00 0.00 N ATOM 1149 CA GLN A 76 3.410 -2.820 9.423 1.00 0.00 C ATOM 1150 C GLN A 76 2.157 -1.951 9.426 1.00 0.00 C ATOM 1151 O GLN A 76 1.363 -1.984 8.485 1.00 0.00 O ATOM 1152 CB GLN A 76 4.129 -2.695 8.078 1.00 0.00 C ATOM 1153 CG GLN A 76 3.350 -3.287 6.915 1.00 0.00 C ATOM 1154 CD GLN A 76 4.204 -3.472 5.675 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.432 -3.422 5.740 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.555 -3.689 4.537 1.00 0.00 N ATOM 0 H GLN A 76 3.270 -4.850 8.917 1.00 0.00 H new ATOM 0 HA GLN A 76 4.073 -2.472 10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.323 -1.642 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.097 -3.191 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.935 -4.250 7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.508 -2.637 6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.536 -3.722 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.076 -3.822 3.670 1.00 0.00 H new ATOM 1165 N LYS A 77 1.984 -1.174 10.489 1.00 0.00 N ATOM 1166 CA LYS A 77 0.828 -0.295 10.616 1.00 0.00 C ATOM 1167 C LYS A 77 1.109 1.067 9.990 1.00 0.00 C ATOM 1168 O LYS A 77 1.904 1.850 10.513 1.00 0.00 O ATOM 1169 CB LYS A 77 0.450 -0.123 12.089 1.00 0.00 C ATOM 1170 CG LYS A 77 -1.031 0.125 12.312 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.437 -0.173 13.746 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.896 0.875 14.707 1.00 0.00 C ATOM 1173 NZ LYS A 77 0.456 0.515 15.216 1.00 0.00 N ATOM 0 H LYS A 77 2.631 -1.135 11.277 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.006 -0.755 10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.747 -1.016 12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.016 0.710 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.267 1.162 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.612 -0.498 11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.524 -0.208 13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.067 -1.157 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.849 1.840 14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.582 0.987 15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.418 0.396 16.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.767 -0.374 14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.129 1.272 14.980 1.00 0.00 H new ATOM 1187 N LEU A 78 0.453 1.345 8.869 1.00 0.00 N ATOM 1188 CA LEU A 78 0.632 2.614 8.172 1.00 0.00 C ATOM 1189 C LEU A 78 -0.203 3.714 8.821 1.00 0.00 C ATOM 1190 O LEU A 78 -1.432 3.655 8.819 1.00 0.00 O ATOM 1191 CB LEU A 78 0.247 2.468 6.699 1.00 0.00 C ATOM 1192 CG LEU A 78 1.122 1.530 5.866 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.813 1.687 4.385 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.596 1.796 6.137 1.00 0.00 C ATOM 0 H LEU A 78 -0.208 0.709 8.423 1.00 0.00 H new ATOM 0 HA LEU A 78 1.683 2.893 8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.783 2.114 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.268 3.456 6.239 1.00 0.00 H new ATOM 0 HG LEU A 78 0.899 0.503 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.445 1.012 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.235 1.446 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.007 2.715 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.204 1.120 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.834 2.827 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.807 1.632 7.194 1.00 0.00 H new ATOM 1206 N GLN A 79 0.474 4.716 9.372 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.206 5.829 10.023 1.00 0.00 C ATOM 1208 C GLN A 79 -0.181 7.073 9.141 1.00 0.00 C ATOM 1209 O GLN A 79 0.813 7.351 8.470 1.00 0.00 O ATOM 1210 CB GLN A 79 0.446 6.134 11.373 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.492 6.803 12.365 1.00 0.00 C ATOM 1212 CD GLN A 79 0.115 6.928 13.748 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.223 6.453 13.999 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -0.610 7.571 14.657 1.00 0.00 N ATOM 0 H GLN A 79 1.492 4.780 9.381 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.245 5.542 10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.817 5.205 11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.311 6.778 11.212 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.756 7.794 11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.417 6.229 12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.524 7.949 14.406 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.253 7.687 15.605 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.281 7.818 9.146 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.386 9.031 8.344 1.00 0.00 C ATOM 1225 C TYR A 80 -2.308 10.047 9.011 1.00 0.00 C ATOM 1226 O TYR A 80 -3.500 9.797 9.189 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.904 8.698 6.944 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.551 9.871 6.242 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.788 10.936 5.781 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.925 9.915 6.042 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.374 12.011 5.140 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.520 10.984 5.401 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.740 12.030 4.952 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.329 13.098 4.315 1.00 0.00 O ATOM 0 H TYR A 80 -2.112 7.603 9.697 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.391 9.469 8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.076 8.334 6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.627 7.885 7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.718 10.924 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.539 9.099 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.766 12.831 4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.590 11.001 5.252 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.699 13.483 3.671 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.747 11.195 9.378 1.00 0.00 N ATOM 1245 CA GLU A 81 -2.518 12.249 10.025 1.00 0.00 C ATOM 1246 C GLU A 81 -3.159 11.741 11.314 1.00 0.00 C ATOM 1247 O GLU A 81 -4.340 11.976 11.566 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.598 12.777 9.079 1.00 0.00 C ATOM 1249 CG GLU A 81 -3.042 13.516 7.873 1.00 0.00 C ATOM 1250 CD GLU A 81 -2.591 14.924 8.208 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -1.697 15.070 9.068 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -3.131 15.879 7.612 1.00 0.00 O ATOM 0 H GLU A 81 -0.762 11.418 9.238 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.836 13.062 10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.207 11.941 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.258 13.445 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.200 12.956 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.804 13.558 7.095 1.00 0.00 H new ATOM 1259 N GLY A 82 -2.370 11.043 12.125 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.878 10.512 13.376 1.00 0.00 C ATOM 1261 C GLY A 82 -4.018 9.534 13.171 1.00 0.00 C ATOM 1262 O GLY A 82 -4.884 9.391 14.035 1.00 0.00 O ATOM 0 H GLY A 82 -1.389 10.836 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.069 10.015 13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.218 11.335 14.005 1.00 0.00 H new ATOM 1266 N ILE A 83 -4.019 8.861 12.026 1.00 0.00 N ATOM 1267 CA ILE A 83 -5.062 7.893 11.711 1.00 0.00 C ATOM 1268 C ILE A 83 -4.469 6.515 11.438 1.00 0.00 C ATOM 1269 O ILE A 83 -3.339 6.396 10.962 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.889 8.334 10.489 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.539 9.694 10.749 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.947 7.290 10.160 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -7.091 10.349 9.503 1.00 0.00 C ATOM 0 H ILE A 83 -3.310 8.968 11.301 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.715 7.839 12.582 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.221 8.429 9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.345 9.570 11.472 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.804 10.358 11.203 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.523 7.616 9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.463 6.339 9.937 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.614 7.166 11.013 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.536 11.309 9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.285 10.506 8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.850 9.705 9.059 1.00 0.00 H new ATOM 1285 N PHE A 84 -5.238 5.474 11.741 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.789 4.104 11.528 1.00 0.00 C ATOM 1287 C PHE A 84 -5.433 3.508 10.280 1.00 0.00 C ATOM 1288 O PHE A 84 -6.401 2.752 10.368 1.00 0.00 O ATOM 1289 CB PHE A 84 -5.120 3.241 12.747 1.00 0.00 C ATOM 1290 CG PHE A 84 -4.292 3.570 13.957 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.908 3.560 13.889 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.898 3.889 15.161 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -2.144 3.861 15.001 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -4.139 4.192 16.276 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.761 4.179 16.196 1.00 0.00 C ATOM 0 H PHE A 84 -6.175 5.554 12.135 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.709 4.121 11.385 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -6.175 3.364 12.994 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.973 2.192 12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.421 3.314 12.957 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.976 3.901 15.229 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.066 3.848 14.936 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.624 4.439 17.209 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.166 4.417 17.066 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.890 3.855 9.118 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.411 3.355 7.852 1.00 0.00 C ATOM 1307 C ILE A 85 -5.154 1.859 7.704 1.00 0.00 C ATOM 1308 O ILE A 85 -4.060 1.374 7.994 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.784 4.093 6.654 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.258 3.990 6.706 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.222 5.550 6.641 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.582 4.375 5.408 1.00 0.00 C ATOM 0 H ILE A 85 -4.089 4.480 9.027 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.486 3.538 7.859 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.130 3.622 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.886 4.632 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.979 2.968 6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.771 6.058 5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.308 5.603 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.902 6.034 7.563 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.502 4.278 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.926 3.717 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.831 5.407 5.160 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.168 1.132 7.249 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.053 -0.309 7.058 1.00 0.00 C ATOM 1326 C LYS A 86 -6.246 -0.681 5.592 1.00 0.00 C ATOM 1327 O LYS A 86 -6.684 0.140 4.786 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.082 -1.042 7.922 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.592 -1.345 9.327 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.740 -1.720 10.249 1.00 0.00 C ATOM 1331 CE LYS A 86 -8.503 -0.491 10.719 1.00 0.00 C ATOM 1332 NZ LYS A 86 -7.744 0.273 11.747 1.00 0.00 N ATOM 0 H LYS A 86 -7.080 1.518 7.005 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.051 -0.612 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.987 -0.438 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.355 -1.977 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.870 -2.161 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.072 -0.475 9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.420 -2.395 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.353 -2.261 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.711 0.155 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.465 -0.796 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.395 0.594 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.014 -0.338 12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.292 1.098 11.303 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.919 -1.923 5.253 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.059 -2.405 3.884 1.00 0.00 C ATOM 1348 C ASP A 87 -7.530 -2.535 3.502 1.00 0.00 C ATOM 1349 O ASP A 87 -7.904 -2.313 2.350 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.356 -3.753 3.721 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.437 -4.604 4.973 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.711 -4.303 5.942 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.227 -5.572 4.982 1.00 0.00 O ATOM 0 H ASP A 87 -5.555 -2.615 5.908 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.592 -1.678 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.804 -4.294 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.310 -3.585 3.466 1.00 0.00 H new ATOM 1358 N SER A 88 -8.360 -2.896 4.475 1.00 0.00 N ATOM 1359 CA SER A 88 -9.789 -3.061 4.239 1.00 0.00 C ATOM 1360 C SER A 88 -10.436 -1.728 3.872 1.00 0.00 C ATOM 1361 O SER A 88 -11.387 -1.682 3.094 1.00 0.00 O ATOM 1362 CB SER A 88 -10.468 -3.645 5.480 1.00 0.00 C ATOM 1363 OG SER A 88 -10.557 -2.681 6.514 1.00 0.00 O ATOM 0 H SER A 88 -8.067 -3.080 5.435 1.00 0.00 H new ATOM 0 HA SER A 88 -9.918 -3.750 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.466 -3.997 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.906 -4.510 5.832 1.00 0.00 H new ATOM 0 HG SER A 88 -10.996 -3.078 7.295 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.911 -0.647 4.438 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.436 0.687 4.171 1.00 0.00 C ATOM 1371 C ASN A 89 -9.955 1.200 2.817 1.00 0.00 C ATOM 1372 O ASN A 89 -8.944 0.738 2.290 1.00 0.00 O ATOM 1373 CB ASN A 89 -10.012 1.656 5.276 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.693 1.360 6.598 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.480 2.165 7.097 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.393 0.200 7.172 1.00 0.00 N ATOM 0 H ASN A 89 -9.122 -0.668 5.085 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.524 0.624 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.931 1.602 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.246 2.676 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.821 -0.054 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.735 -0.437 6.722 1.00 0.00 H new ATOM 1383 N SER A 90 -10.688 2.159 2.259 1.00 0.00 N ATOM 1384 CA SER A 90 -10.339 2.734 0.965 1.00 0.00 C ATOM 1385 C SER A 90 -9.500 3.996 1.140 1.00 0.00 C ATOM 1386 O SER A 90 -9.385 4.532 2.243 1.00 0.00 O ATOM 1387 CB SER A 90 -11.604 3.054 0.168 1.00 0.00 C ATOM 1388 OG SER A 90 -11.289 3.403 -1.169 1.00 0.00 O ATOM 0 H SER A 90 -11.527 2.554 2.683 1.00 0.00 H new ATOM 0 HA SER A 90 -9.749 2.000 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.270 2.191 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.140 3.874 0.645 1.00 0.00 H new ATOM 0 HG SER A 90 -12.115 3.601 -1.658 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.916 4.467 0.044 1.00 0.00 N ATOM 1395 CA LEU A 91 -8.087 5.667 0.074 1.00 0.00 C ATOM 1396 C LEU A 91 -8.943 6.923 -0.054 1.00 0.00 C ATOM 1397 O LEU A 91 -8.976 7.758 0.850 1.00 0.00 O ATOM 1398 CB LEU A 91 -7.052 5.624 -1.052 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.888 4.652 -0.858 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.189 4.384 -2.181 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.903 5.197 0.167 1.00 0.00 C ATOM 0 H LEU A 91 -9.001 4.036 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.570 5.698 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.564 5.366 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.644 6.626 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.287 3.709 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.364 3.690 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.898 3.949 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.804 5.320 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.081 4.492 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.511 6.154 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.411 5.336 1.122 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.635 7.049 -1.182 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.494 8.201 -1.426 1.00 0.00 C ATOM 1415 C ALA A 92 -11.280 8.575 -0.173 1.00 0.00 C ATOM 1416 O ALA A 92 -11.472 9.754 0.121 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.443 7.916 -2.581 1.00 0.00 C ATOM 0 H ALA A 92 -9.617 6.368 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.860 9.047 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.079 8.785 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.867 7.705 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.064 7.054 -2.337 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.731 7.563 0.560 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.499 7.786 1.779 1.00 0.00 C ATOM 1425 C TYR A 93 -11.709 8.632 2.774 1.00 0.00 C ATOM 1426 O TYR A 93 -12.263 9.504 3.443 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.880 6.450 2.419 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.627 6.595 3.725 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.968 6.984 4.885 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.991 6.342 3.801 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.646 7.118 6.081 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.677 6.474 4.992 1.00 0.00 C ATOM 1433 CZ TYR A 93 -15.001 6.862 6.130 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.680 6.993 7.319 1.00 0.00 O ATOM 0 H TYR A 93 -11.578 6.581 0.331 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.408 8.325 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.495 5.884 1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.975 5.868 2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.907 7.185 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.524 6.037 2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.118 7.422 6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.738 6.274 5.032 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.626 6.777 7.181 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.410 8.367 2.864 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.543 9.101 3.777 1.00 0.00 C ATOM 1446 C TYR A 94 -9.300 10.521 3.275 1.00 0.00 C ATOM 1447 O TYR A 94 -9.194 11.461 4.062 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.208 8.372 3.943 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.316 7.082 4.724 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.905 7.055 5.982 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.830 5.889 4.203 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.005 5.879 6.699 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.927 4.708 4.913 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.515 4.708 6.160 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.614 3.534 6.871 1.00 0.00 O ATOM 0 H TYR A 94 -9.935 7.650 2.316 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.042 9.157 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.796 8.157 2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.502 9.033 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.291 7.970 6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.369 5.885 3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.464 5.876 7.676 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.544 3.789 4.493 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.252 3.650 7.606 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.214 10.669 1.957 1.00 0.00 N ATOM 1466 CA ASN A 95 -8.984 11.974 1.347 1.00 0.00 C ATOM 1467 C ASN A 95 -7.537 12.417 1.540 1.00 0.00 C ATOM 1468 O ASN A 95 -7.273 13.530 1.995 1.00 0.00 O ATOM 1469 CB ASN A 95 -9.932 13.014 1.946 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.275 12.421 2.326 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.496 12.042 3.476 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.180 12.339 1.357 1.00 0.00 N ATOM 0 H ASN A 95 -9.300 9.901 1.291 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.179 11.887 0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.470 13.457 2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.084 13.820 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.102 11.949 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.953 12.666 0.418 1.00 0.00 H new ATOM 1479 N MET A 96 -6.603 11.538 1.191 1.00 0.00 N ATOM 1480 CA MET A 96 -5.182 11.840 1.324 1.00 0.00 C ATOM 1481 C MET A 96 -4.751 12.889 0.304 1.00 0.00 C ATOM 1482 O MET A 96 -5.134 12.827 -0.863 1.00 0.00 O ATOM 1483 CB MET A 96 -4.350 10.568 1.148 1.00 0.00 C ATOM 1484 CG MET A 96 -4.621 9.513 2.208 1.00 0.00 C ATOM 1485 SD MET A 96 -3.643 8.018 1.966 1.00 0.00 S ATOM 1486 CE MET A 96 -4.320 6.960 3.242 1.00 0.00 C ATOM 0 H MET A 96 -6.804 10.612 0.814 1.00 0.00 H new ATOM 0 HA MET A 96 -5.013 12.241 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.553 10.144 0.165 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.292 10.830 1.170 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.405 9.929 3.192 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.680 9.256 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 96 -4.078 5.921 3.019 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.892 7.233 4.206 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.403 7.081 3.278 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.952 13.852 0.754 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.468 14.913 -0.121 1.00 0.00 C ATOM 1498 C ALA A 97 -2.097 14.570 -0.693 1.00 0.00 C ATOM 1499 O ALA A 97 -1.306 13.872 -0.058 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.412 16.233 0.633 1.00 0.00 C ATOM 0 H ALA A 97 -3.627 13.919 1.718 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.165 15.011 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.049 17.017 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.409 16.492 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.737 16.138 1.484 1.00 0.00 H new ATOM 1506 N SER A 98 -1.823 15.063 -1.896 1.00 0.00 N ATOM 1507 CA SER A 98 -0.548 14.805 -2.556 1.00 0.00 C ATOM 1508 C SER A 98 0.616 15.034 -1.598 1.00 0.00 C ATOM 1509 O SER A 98 0.425 15.476 -0.465 1.00 0.00 O ATOM 1510 CB SER A 98 -0.396 15.702 -3.786 1.00 0.00 C ATOM 1511 OG SER A 98 -0.332 17.069 -3.415 1.00 0.00 O ATOM 0 H SER A 98 -2.466 15.643 -2.434 1.00 0.00 H new ATOM 0 HA SER A 98 -0.535 13.762 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.507 15.427 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.237 15.544 -4.461 1.00 0.00 H new ATOM 0 HG SER A 98 -0.233 17.622 -4.218 1.00 0.00 H new ATOM 1517 N GLY A 99 1.825 14.729 -2.061 1.00 0.00 N ATOM 1518 CA GLY A 99 3.003 14.908 -1.233 1.00 0.00 C ATOM 1519 C GLY A 99 2.768 14.496 0.207 1.00 0.00 C ATOM 1520 O GLY A 99 3.300 15.112 1.130 1.00 0.00 O ATOM 0 H GLY A 99 2.009 14.361 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.825 14.323 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.309 15.954 -1.263 1.00 0.00 H new ATOM 1524 N ALA A 100 1.968 13.453 0.399 1.00 0.00 N ATOM 1525 CA ALA A 100 1.664 12.960 1.737 1.00 0.00 C ATOM 1526 C ALA A 100 2.844 12.189 2.319 1.00 0.00 C ATOM 1527 O ALA A 100 3.860 11.992 1.652 1.00 0.00 O ATOM 1528 CB ALA A 100 0.421 12.082 1.705 1.00 0.00 C ATOM 0 H ALA A 100 1.519 12.933 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 100 1.473 13.819 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.205 11.720 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.425 12.663 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.592 11.233 1.043 1.00 0.00 H new ATOM 1534 N VAL A 101 2.703 11.756 3.568 1.00 0.00 N ATOM 1535 CA VAL A 101 3.758 11.007 4.240 1.00 0.00 C ATOM 1536 C VAL A 101 3.174 9.923 5.139 1.00 0.00 C ATOM 1537 O VAL A 101 2.505 10.218 6.130 1.00 0.00 O ATOM 1538 CB VAL A 101 4.653 11.932 5.085 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.863 12.531 6.239 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.869 11.175 5.597 1.00 0.00 C ATOM 0 H VAL A 101 1.869 11.911 4.134 1.00 0.00 H new ATOM 0 HA VAL A 101 4.362 10.543 3.461 1.00 0.00 H new ATOM 0 HB VAL A 101 5.002 12.748 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.512 13.182 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.027 13.110 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.483 11.731 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.490 11.844 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.543 10.338 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.446 10.800 4.752 1.00 0.00 H new ATOM 1550 N ILE A 102 3.433 8.668 4.788 1.00 0.00 N ATOM 1551 CA ILE A 102 2.934 7.539 5.565 1.00 0.00 C ATOM 1552 C ILE A 102 3.976 7.062 6.571 1.00 0.00 C ATOM 1553 O ILE A 102 4.993 6.477 6.198 1.00 0.00 O ATOM 1554 CB ILE A 102 2.538 6.361 4.655 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.450 6.793 3.670 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.065 5.182 5.492 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.103 7.023 4.320 1.00 0.00 C ATOM 0 H ILE A 102 3.985 8.407 3.971 1.00 0.00 H new ATOM 0 HA ILE A 102 2.050 7.888 6.099 1.00 0.00 H new ATOM 0 HB ILE A 102 3.414 6.049 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.765 7.710 3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.346 6.030 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.789 4.357 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.867 4.863 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.200 5.480 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.619 7.327 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.234 6.101 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.191 7.807 5.072 1.00 0.00 H new ATOM 1569 N HIS A 103 3.713 7.314 7.850 1.00 0.00 N ATOM 1570 CA HIS A 103 4.627 6.907 8.912 1.00 0.00 C ATOM 1571 C HIS A 103 4.468 5.423 9.227 1.00 0.00 C ATOM 1572 O HIS A 103 3.366 4.953 9.515 1.00 0.00 O ATOM 1573 CB HIS A 103 4.379 7.737 10.172 1.00 0.00 C ATOM 1574 CG HIS A 103 4.613 9.204 9.979 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.648 9.887 10.582 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.939 10.118 9.243 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.599 11.158 10.227 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.572 11.325 9.414 1.00 0.00 N ATOM 0 H HIS A 103 2.876 7.797 8.176 1.00 0.00 H new ATOM 0 HA HIS A 103 5.646 7.080 8.566 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.352 7.582 10.503 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.029 7.376 10.969 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.066 9.933 8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.283 11.930 10.547 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.294 12.207 8.983 1.00 0.00 H new ATOM 1587 N LEU A 104 5.574 4.689 9.169 1.00 0.00 N ATOM 1588 CA LEU A 104 5.558 3.257 9.447 1.00 0.00 C ATOM 1589 C LEU A 104 5.715 2.991 10.941 1.00 0.00 C ATOM 1590 O LEU A 104 6.493 3.658 11.622 1.00 0.00 O ATOM 1591 CB LEU A 104 6.674 2.554 8.672 1.00 0.00 C ATOM 1592 CG LEU A 104 6.858 1.065 8.964 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.622 0.282 8.549 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.093 0.531 8.253 1.00 0.00 C ATOM 0 H LEU A 104 6.493 5.062 8.932 1.00 0.00 H new ATOM 0 HA LEU A 104 4.595 2.860 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.480 2.674 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.614 3.064 8.884 1.00 0.00 H new ATOM 0 HG LEU A 104 6.998 0.940 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.772 -0.776 8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.757 0.646 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.450 0.414 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.209 -0.530 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.982 0.670 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.974 1.071 8.599 1.00 0.00 H new ATOM 1606 N ALA A 105 4.972 2.010 11.443 1.00 0.00 N ATOM 1607 CA ALA A 105 5.032 1.653 12.855 1.00 0.00 C ATOM 1608 C ALA A 105 5.007 0.139 13.040 1.00 0.00 C ATOM 1609 O ALA A 105 4.766 -0.609 12.091 1.00 0.00 O ATOM 1610 CB ALA A 105 3.881 2.298 13.613 1.00 0.00 C ATOM 0 H ALA A 105 4.322 1.449 10.893 1.00 0.00 H new ATOM 0 HA ALA A 105 5.973 2.027 13.259 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.939 2.022 14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.945 3.382 13.518 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.934 1.952 13.199 1.00 0.00 H new ATOM 1616 N LEU A 106 5.257 -0.307 14.266 1.00 0.00 N ATOM 1617 CA LEU A 106 5.263 -1.733 14.575 1.00 0.00 C ATOM 1618 C LEU A 106 4.011 -2.127 15.351 1.00 0.00 C ATOM 1619 O LEU A 106 3.665 -1.501 16.353 1.00 0.00 O ATOM 1620 CB LEU A 106 6.512 -2.094 15.382 1.00 0.00 C ATOM 1621 CG LEU A 106 6.456 -3.416 16.148 1.00 0.00 C ATOM 1622 CD1 LEU A 106 6.391 -4.590 15.183 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.659 -3.549 17.070 1.00 0.00 C ATOM 0 H LEU A 106 5.458 0.298 15.062 1.00 0.00 H new ATOM 0 HA LEU A 106 5.273 -2.284 13.635 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.363 -2.127 14.702 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.704 -1.292 16.095 1.00 0.00 H new ATOM 0 HG LEU A 106 5.552 -3.422 16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.352 -5.522 15.746 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.499 -4.503 14.563 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.276 -4.588 14.547 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.603 -4.496 17.607 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.575 -3.521 16.480 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.662 -2.726 17.785 1.00 0.00 H new ATOM 1635 N LYS A 107 3.335 -3.171 14.882 1.00 0.00 N ATOM 1636 CA LYS A 107 2.123 -3.653 15.533 1.00 0.00 C ATOM 1637 C LYS A 107 2.456 -4.394 16.824 1.00 0.00 C ATOM 1638 O LYS A 107 3.154 -5.406 16.805 1.00 0.00 O ATOM 1639 CB LYS A 107 1.344 -4.573 14.590 1.00 0.00 C ATOM 1640 CG LYS A 107 0.035 -5.076 15.174 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.627 -6.095 14.262 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.720 -6.865 14.987 1.00 0.00 C ATOM 1643 NZ LYS A 107 -2.332 -7.909 14.119 1.00 0.00 N ATOM 0 H LYS A 107 3.607 -3.699 14.053 1.00 0.00 H new ATOM 0 HA LYS A 107 1.506 -2.789 15.780 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.137 -4.038 13.663 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.969 -5.428 14.332 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.220 -5.525 16.150 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.640 -4.235 15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.051 -5.588 13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.123 -6.792 13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.304 -7.333 15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.492 -6.172 15.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.072 -8.411 14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.751 -7.460 13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.600 -8.585 13.821 1.00 0.00 H new ATOM 1657 N GLU A 108 1.949 -3.883 17.942 1.00 0.00 N ATOM 1658 CA GLU A 108 2.193 -4.498 19.241 1.00 0.00 C ATOM 1659 C GLU A 108 1.994 -6.010 19.173 1.00 0.00 C ATOM 1660 O GLU A 108 1.138 -6.501 18.438 1.00 0.00 O ATOM 1661 CB GLU A 108 1.264 -3.897 20.297 1.00 0.00 C ATOM 1662 CG GLU A 108 1.580 -2.449 20.633 1.00 0.00 C ATOM 1663 CD GLU A 108 2.746 -2.313 21.593 1.00 0.00 C ATOM 1664 OE1 GLU A 108 2.659 -2.862 22.711 1.00 0.00 O ATOM 1665 OE2 GLU A 108 3.744 -1.659 21.226 1.00 0.00 O ATOM 0 H GLU A 108 1.367 -3.046 17.974 1.00 0.00 H new ATOM 0 HA GLU A 108 3.227 -4.297 19.521 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.235 -3.963 19.943 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.327 -4.494 21.207 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.806 -1.908 19.714 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.698 -1.981 21.070 1.00 0.00 H new ATOM 1672 N ARG A 109 2.792 -6.741 19.945 1.00 0.00 N ATOM 1673 CA ARG A 109 2.705 -8.196 19.972 1.00 0.00 C ATOM 1674 C ARG A 109 1.859 -8.668 21.151 1.00 0.00 C ATOM 1675 O ARG A 109 2.207 -8.437 22.309 1.00 0.00 O ATOM 1676 CB ARG A 109 4.104 -8.810 20.055 1.00 0.00 C ATOM 1677 CG ARG A 109 4.868 -8.415 21.308 1.00 0.00 C ATOM 1678 CD ARG A 109 6.336 -8.803 21.210 1.00 0.00 C ATOM 1679 NE ARG A 109 7.124 -8.242 22.305 1.00 0.00 N ATOM 1680 CZ ARG A 109 8.445 -8.347 22.387 1.00 0.00 C ATOM 1681 NH1 ARG A 109 9.123 -8.987 21.445 1.00 0.00 N ATOM 1682 NH2 ARG A 109 9.092 -7.810 23.414 1.00 0.00 N ATOM 0 H ARG A 109 3.506 -6.349 20.560 1.00 0.00 H new ATOM 0 HA ARG A 109 2.226 -8.524 19.049 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.018 -9.896 20.019 1.00 0.00 H new ATOM 0 HB3 ARG A 109 4.677 -8.507 19.179 1.00 0.00 H new ATOM 0 HG2 ARG A 109 4.784 -7.339 21.463 1.00 0.00 H new ATOM 0 HG3 ARG A 109 4.420 -8.898 22.176 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.425 -9.889 21.218 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.740 -8.457 20.258 1.00 0.00 H new ATOM 0 HE ARG A 109 6.633 -7.743 23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.630 -9.401 20.654 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.138 -9.066 21.511 1.00 0.00 H new ATOM 0 HH21 ARG A 109 8.574 -7.316 24.141 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.107 -7.891 23.476 1.00 0.00 H new ATOM 1696 N SER A 110 0.748 -9.331 20.847 1.00 0.00 N ATOM 1697 CA SER A 110 -0.150 -9.832 21.881 1.00 0.00 C ATOM 1698 C SER A 110 0.146 -11.295 22.195 1.00 0.00 C ATOM 1699 O SER A 110 0.195 -12.137 21.298 1.00 0.00 O ATOM 1700 CB SER A 110 -1.607 -9.678 21.439 1.00 0.00 C ATOM 1701 OG SER A 110 -2.118 -8.407 21.802 1.00 0.00 O ATOM 0 H SER A 110 0.448 -9.534 19.893 1.00 0.00 H new ATOM 0 HA SER A 110 0.012 -9.244 22.785 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.678 -9.807 20.359 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.213 -10.461 21.895 1.00 0.00 H new ATOM 0 HG SER A 110 -3.050 -8.333 21.507 1.00 0.00 H new ATOM 1707 N GLY A 111 0.343 -11.591 23.476 1.00 0.00 N ATOM 1708 CA GLY A 111 0.632 -12.953 23.887 1.00 0.00 C ATOM 1709 C GLY A 111 -0.568 -13.868 23.748 1.00 0.00 C ATOM 1710 O GLY A 111 -1.712 -13.461 23.949 1.00 0.00 O ATOM 0 H GLY A 111 0.308 -10.912 24.237 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.454 -13.343 23.287 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.967 -12.953 24.924 1.00 0.00 H new ATOM 1714 N PRO A 112 -0.312 -15.136 23.394 1.00 0.00 N ATOM 1715 CA PRO A 112 -1.369 -16.137 23.219 1.00 0.00 C ATOM 1716 C PRO A 112 -2.016 -16.534 24.541 1.00 0.00 C ATOM 1717 O PRO A 112 -3.138 -17.040 24.567 1.00 0.00 O ATOM 1718 CB PRO A 112 -0.629 -17.329 22.607 1.00 0.00 C ATOM 1719 CG PRO A 112 0.782 -17.171 23.057 1.00 0.00 C ATOM 1720 CD PRO A 112 1.028 -15.690 23.138 1.00 0.00 C ATOM 0 HA PRO A 112 -2.187 -15.763 22.603 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.050 -18.274 22.949 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.701 -17.323 21.519 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.938 -17.646 24.026 1.00 0.00 H new ATOM 0 HG3 PRO A 112 1.470 -17.643 22.356 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.725 -15.442 23.938 1.00 0.00 H new ATOM 0 HD3 PRO A 112 1.453 -15.302 22.212 1.00 0.00 H new ATOM 1728 N SER A 113 -1.303 -16.300 25.638 1.00 0.00 N ATOM 1729 CA SER A 113 -1.807 -16.636 26.964 1.00 0.00 C ATOM 1730 C SER A 113 -3.231 -16.120 27.151 1.00 0.00 C ATOM 1731 O SER A 113 -3.515 -14.947 26.905 1.00 0.00 O ATOM 1732 CB SER A 113 -0.895 -16.051 28.044 1.00 0.00 C ATOM 1733 OG SER A 113 -0.973 -14.636 28.065 1.00 0.00 O ATOM 0 H SER A 113 -0.374 -15.879 25.634 1.00 0.00 H new ATOM 0 HA SER A 113 -1.817 -17.722 27.057 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.179 -16.449 29.018 1.00 0.00 H new ATOM 0 HB3 SER A 113 0.134 -16.359 27.861 1.00 0.00 H new ATOM 0 HG SER A 113 -1.884 -14.355 27.839 1.00 0.00 H new ATOM 1739 N SER A 114 -4.122 -17.004 27.587 1.00 0.00 N ATOM 1740 CA SER A 114 -5.518 -16.641 27.803 1.00 0.00 C ATOM 1741 C SER A 114 -5.642 -15.599 28.911 1.00 0.00 C ATOM 1742 O SER A 114 -6.264 -14.554 28.729 1.00 0.00 O ATOM 1743 CB SER A 114 -6.341 -17.880 28.158 1.00 0.00 C ATOM 1744 OG SER A 114 -6.219 -18.877 27.158 1.00 0.00 O ATOM 0 H SER A 114 -3.902 -17.977 27.798 1.00 0.00 H new ATOM 0 HA SER A 114 -5.903 -16.211 26.878 1.00 0.00 H new ATOM 0 HB2 SER A 114 -6.008 -18.279 29.116 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.389 -17.603 28.274 1.00 0.00 H new ATOM 0 HG SER A 114 -6.753 -19.659 27.409 1.00 0.00 H new ATOM 1750 N GLY A 115 -5.044 -15.894 30.062 1.00 0.00 N ATOM 1751 CA GLY A 115 -5.100 -14.975 31.183 1.00 0.00 C ATOM 1752 C GLY A 115 -3.855 -14.117 31.291 1.00 0.00 C ATOM 1753 O GLY A 115 -3.907 -12.997 31.800 1.00 0.00 O ATOM 0 H GLY A 115 -4.522 -16.753 30.237 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.973 -14.331 31.078 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.230 -15.540 32.106 1.00 0.00 H new TER 1757 GLY A 115