USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 557 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 15 TYR OH : rot 22:sc= -0.444 USER MOD Set 1.2: A 37 MET CE :methyl -161:sc= -1.33 (180deg=-1.67!) USER MOD Set 2.1: A 34 SER OG : rot 92:sc= 1.27 USER MOD Set 2.2: A 43 TYR OH : rot 180:sc= -0.478 USER MOD Set 3.1: A 29 ASN : amide:sc= 0.00854 X(o=-0.22,f=-0.69) USER MOD Set 3.2: A 32 SER OG : rot 180:sc= -0.233 USER MOD Set 4.1: A 26 HIS : no HD1:sc= -8.98! C(o=-9!,f=-9.6!) USER MOD Set 4.2: A 27 ASN : amide:sc= -0.0226 X(o=-9,f=-9) USER MOD Set 5.1: A 6 GLN : amide:sc= 0 X(o=0.34,f=0.26) USER MOD Set 5.2: A 10 THR OG1 : rot -67:sc= 0.338 USER MOD Single : A 5 SER OG : rot 25:sc= 0.125 USER MOD Single : A 7 GLN : amide:sc= -0.987 K(o=-0.99,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= 0.892 (180deg=-0.069!) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= -1.36 (180deg=-1.72) USER MOD Single : A 20 SER OG : rot 0:sc= -0.652! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.473 K(o=-0.47,f=-5.1!) USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= 0.14 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.469 F(o=-1.8!,f=-0.47) USER MOD Single : A 40 SER OG : rot 150:sc=-0.00219 USER MOD Single : A 44 GLN : amide:sc= 0.648 K(o=0.65,f=-1.1) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 1.28 (180deg=1.05) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0127 K(o=-0.013,f=-0.92) USER MOD Single : A 62 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.4!) USER MOD Single : A 64 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-5.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -19.221 2.487 -0.774 1.00 0.00 N ATOM 2 CA SER A 5 -18.466 3.717 -1.034 1.00 0.00 C ATOM 3 C SER A 5 -17.255 3.876 -0.103 1.00 0.00 C ATOM 4 O SER A 5 -16.137 4.072 -0.576 1.00 0.00 O ATOM 5 CB SER A 5 -19.381 4.938 -0.936 1.00 0.00 C ATOM 6 OG SER A 5 -20.514 4.788 -1.775 1.00 0.00 O ATOM 0 HA SER A 5 -18.077 3.641 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.703 5.074 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.830 5.835 -1.219 1.00 0.00 H new ATOM 0 HG SER A 5 -20.684 3.835 -1.927 1.00 0.00 H new ATOM 12 N GLN A 6 -17.483 3.770 1.206 1.00 0.00 N ATOM 13 CA GLN A 6 -16.438 3.981 2.212 1.00 0.00 C ATOM 14 C GLN A 6 -15.172 3.182 1.899 1.00 0.00 C ATOM 15 O GLN A 6 -14.061 3.712 1.960 1.00 0.00 O ATOM 16 CB GLN A 6 -16.953 3.578 3.593 1.00 0.00 C ATOM 17 CG GLN A 6 -16.006 3.939 4.725 1.00 0.00 C ATOM 18 CD GLN A 6 -16.278 3.147 5.989 1.00 0.00 C ATOM 19 OE1 GLN A 6 -17.088 3.544 6.826 1.00 0.00 O ATOM 20 NE2 GLN A 6 -15.593 2.025 6.141 1.00 0.00 N ATOM 0 H GLN A 6 -18.394 3.536 1.600 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.185 5.041 2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -17.915 4.060 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.128 2.502 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.979 3.763 4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.094 5.004 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.931 1.731 5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.727 1.455 6.976 1.00 0.00 H new ATOM 29 N GLN A 7 -15.356 1.914 1.541 1.00 0.00 N ATOM 30 CA GLN A 7 -14.241 0.996 1.323 1.00 0.00 C ATOM 31 C GLN A 7 -13.305 1.502 0.226 1.00 0.00 C ATOM 32 O GLN A 7 -12.110 1.236 0.253 1.00 0.00 O ATOM 33 CB GLN A 7 -14.765 -0.386 0.960 1.00 0.00 C ATOM 34 CG GLN A 7 -13.782 -1.494 1.239 1.00 0.00 C ATOM 35 CD GLN A 7 -13.326 -1.528 2.684 1.00 0.00 C ATOM 36 OE1 GLN A 7 -14.049 -1.104 3.587 1.00 0.00 O ATOM 37 NE2 GLN A 7 -12.145 -2.073 2.921 1.00 0.00 N ATOM 0 H GLN A 7 -16.275 1.496 1.395 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.672 0.937 2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.682 -0.576 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.026 -0.401 -0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.239 -2.451 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.913 -1.374 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.575 -2.413 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.804 -2.154 3.879 1.00 0.00 H new ATOM 46 N ILE A 8 -13.851 2.259 -0.716 1.00 0.00 N ATOM 47 CA ILE A 8 -13.073 2.760 -1.849 1.00 0.00 C ATOM 48 C ILE A 8 -12.020 3.766 -1.385 1.00 0.00 C ATOM 49 O ILE A 8 -11.028 4.023 -2.071 1.00 0.00 O ATOM 50 CB ILE A 8 -13.992 3.414 -2.909 1.00 0.00 C ATOM 51 CG1 ILE A 8 -15.108 2.454 -3.298 1.00 0.00 C ATOM 52 CG2 ILE A 8 -13.200 3.832 -4.141 1.00 0.00 C ATOM 53 CD1 ILE A 8 -16.129 3.055 -4.240 1.00 0.00 C ATOM 0 H ILE A 8 -14.831 2.542 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.569 1.907 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.431 4.311 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.670 1.573 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -15.615 2.116 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.872 4.288 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.433 4.552 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.727 2.956 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.892 2.312 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.596 3.919 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.635 3.367 -5.160 1.00 0.00 H new ATOM 65 N ALA A 9 -12.234 4.314 -0.203 1.00 0.00 N ATOM 66 CA ALA A 9 -11.319 5.287 0.367 1.00 0.00 C ATOM 67 C ALA A 9 -10.520 4.686 1.512 1.00 0.00 C ATOM 68 O ALA A 9 -9.294 4.756 1.532 1.00 0.00 O ATOM 69 CB ALA A 9 -12.082 6.517 0.839 1.00 0.00 C ATOM 0 H ALA A 9 -13.040 4.100 0.385 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.617 5.586 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.383 7.238 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.601 6.970 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.809 6.226 1.597 1.00 0.00 H new ATOM 75 N THR A 10 -11.224 4.066 2.441 1.00 0.00 N ATOM 76 CA THR A 10 -10.616 3.566 3.667 1.00 0.00 C ATOM 77 C THR A 10 -9.721 2.353 3.428 1.00 0.00 C ATOM 78 O THR A 10 -8.733 2.174 4.135 1.00 0.00 O ATOM 79 CB THR A 10 -11.678 3.222 4.722 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.652 2.322 4.173 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.360 4.485 5.225 1.00 0.00 C ATOM 0 H THR A 10 -12.227 3.894 2.371 1.00 0.00 H new ATOM 0 HA THR A 10 -9.990 4.376 4.040 1.00 0.00 H new ATOM 0 HB THR A 10 -11.182 2.736 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.173 2.785 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.109 4.221 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.618 5.145 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.843 4.995 4.391 1.00 0.00 H new ATOM 89 N ALA A 11 -10.054 1.522 2.443 1.00 0.00 N ATOM 90 CA ALA A 11 -9.205 0.380 2.115 1.00 0.00 C ATOM 91 C ALA A 11 -7.848 0.871 1.647 1.00 0.00 C ATOM 92 O ALA A 11 -6.810 0.366 2.068 1.00 0.00 O ATOM 93 CB ALA A 11 -9.841 -0.498 1.049 1.00 0.00 C ATOM 0 H ALA A 11 -10.891 1.615 1.867 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.085 -0.225 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.182 -1.338 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.799 -0.873 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.998 0.087 0.143 1.00 0.00 H new ATOM 99 N LYS A 12 -7.872 1.885 0.791 1.00 0.00 N ATOM 100 CA LYS A 12 -6.650 2.503 0.314 1.00 0.00 C ATOM 101 C LYS A 12 -5.956 3.232 1.449 1.00 0.00 C ATOM 102 O LYS A 12 -4.782 3.020 1.695 1.00 0.00 O ATOM 103 CB LYS A 12 -6.937 3.482 -0.823 1.00 0.00 C ATOM 104 CG LYS A 12 -5.689 4.206 -1.295 1.00 0.00 C ATOM 105 CD LYS A 12 -5.922 4.996 -2.568 1.00 0.00 C ATOM 106 CE LYS A 12 -4.665 5.754 -2.965 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.421 6.929 -2.083 1.00 0.00 N ATOM 0 H LYS A 12 -8.727 2.294 0.415 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.000 1.714 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.379 2.942 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.674 4.213 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.346 4.880 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.893 3.480 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.216 4.322 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.745 5.696 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.807 5.083 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.754 6.089 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.410 7.170 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.976 7.740 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.707 6.698 -1.110 1.00 0.00 H new ATOM 121 N ASP A 13 -6.709 4.082 2.131 1.00 0.00 N ATOM 122 CA ASP A 13 -6.208 4.857 3.269 1.00 0.00 C ATOM 123 C ASP A 13 -5.496 3.964 4.284 1.00 0.00 C ATOM 124 O ASP A 13 -4.382 4.263 4.734 1.00 0.00 O ATOM 125 CB ASP A 13 -7.383 5.577 3.944 1.00 0.00 C ATOM 126 CG ASP A 13 -6.968 6.359 5.170 1.00 0.00 C ATOM 127 OD1 ASP A 13 -6.975 5.787 6.282 1.00 0.00 O ATOM 128 OD2 ASP A 13 -6.650 7.558 5.031 1.00 0.00 O ATOM 0 H ASP A 13 -7.690 4.258 1.914 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.484 5.584 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.848 6.254 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.139 4.844 4.226 1.00 0.00 H new ATOM 133 N LYS A 14 -6.142 2.871 4.644 1.00 0.00 N ATOM 134 CA LYS A 14 -5.571 1.926 5.562 1.00 0.00 C ATOM 135 C LYS A 14 -4.375 1.228 4.931 1.00 0.00 C ATOM 136 O LYS A 14 -3.355 1.042 5.587 1.00 0.00 O ATOM 137 CB LYS A 14 -6.628 0.918 5.980 1.00 0.00 C ATOM 138 CG LYS A 14 -6.234 0.112 7.192 1.00 0.00 C ATOM 139 CD LYS A 14 -7.449 -0.447 7.918 1.00 0.00 C ATOM 140 CE LYS A 14 -8.022 0.546 8.926 1.00 0.00 C ATOM 141 NZ LYS A 14 -8.508 1.808 8.296 1.00 0.00 N ATOM 0 H LYS A 14 -7.071 2.621 4.306 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.221 2.454 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.560 1.444 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.823 0.240 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.583 -0.708 6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.659 0.739 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.217 -0.708 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.172 -1.367 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.845 0.075 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.257 0.787 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.092 2.334 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.694 2.391 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.077 1.580 7.456 1.00 0.00 H new ATOM 155 N TYR A 15 -4.494 0.860 3.655 1.00 0.00 N ATOM 156 CA TYR A 15 -3.371 0.271 2.931 1.00 0.00 C ATOM 157 C TYR A 15 -2.178 1.213 2.949 1.00 0.00 C ATOM 158 O TYR A 15 -1.038 0.787 3.112 1.00 0.00 O ATOM 159 CB TYR A 15 -3.726 -0.047 1.478 1.00 0.00 C ATOM 160 CG TYR A 15 -2.519 -0.477 0.673 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.057 -1.785 0.738 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.821 0.430 -0.127 1.00 0.00 C ATOM 163 CE1 TYR A 15 -0.940 -2.180 0.032 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.701 0.037 -0.829 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.268 -1.266 -0.750 1.00 0.00 C ATOM 166 OH TYR A 15 0.849 -1.653 -1.442 1.00 0.00 O ATOM 0 H TYR A 15 -5.349 0.959 3.107 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.123 -0.662 3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.476 -0.837 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.174 0.832 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.580 -2.504 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.163 1.452 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.594 -3.201 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.166 0.750 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 15 0.837 -2.625 -1.565 1.00 0.00 H new ATOM 176 N GLU A 16 -2.455 2.488 2.745 1.00 0.00 N ATOM 177 CA GLU A 16 -1.473 3.510 2.797 1.00 0.00 C ATOM 178 C GLU A 16 -0.749 3.514 4.140 1.00 0.00 C ATOM 179 O GLU A 16 0.457 3.764 4.191 1.00 0.00 O ATOM 180 CB GLU A 16 -2.186 4.816 2.514 1.00 0.00 C ATOM 181 CG GLU A 16 -2.604 4.957 1.070 1.00 0.00 C ATOM 182 CD GLU A 16 -2.985 6.375 0.694 1.00 0.00 C ATOM 183 OE1 GLU A 16 -2.079 7.192 0.442 1.00 0.00 O ATOM 184 OE2 GLU A 16 -4.201 6.673 0.619 1.00 0.00 O ATOM 0 H GLU A 16 -3.393 2.830 2.536 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.693 3.347 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.068 4.888 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.532 5.646 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.788 4.625 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.450 4.297 0.877 1.00 0.00 H new ATOM 191 N TRP A 17 -1.453 3.202 5.235 1.00 0.00 N ATOM 192 CA TRP A 17 -0.757 3.003 6.487 1.00 0.00 C ATOM 193 C TRP A 17 -0.013 1.693 6.437 1.00 0.00 C ATOM 194 O TRP A 17 1.118 1.623 6.862 1.00 0.00 O ATOM 195 CB TRP A 17 -1.673 2.992 7.698 1.00 0.00 C ATOM 196 CG TRP A 17 -1.062 2.287 8.865 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.056 2.614 9.533 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.536 1.104 9.458 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.296 1.711 10.536 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.690 0.777 10.516 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.608 0.316 9.187 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -0.905 -0.332 11.319 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.833 -0.796 9.973 1.00 0.00 C ATOM 204 CH2 TRP A 17 -1.983 -1.101 11.036 1.00 0.00 C ATOM 0 H TRP A 17 -2.466 3.088 5.271 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.080 3.849 6.603 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.911 4.018 7.980 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.613 2.507 7.435 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.679 3.468 9.311 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.081 1.736 11.187 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.273 0.555 8.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.241 -0.573 12.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.676 -1.437 9.763 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.189 -1.968 11.646 1.00 0.00 H new ATOM 215 N LEU A 18 -0.657 0.659 5.921 1.00 0.00 N ATOM 216 CA LEU A 18 -0.040 -0.656 5.858 1.00 0.00 C ATOM 217 C LEU A 18 1.348 -0.547 5.237 1.00 0.00 C ATOM 218 O LEU A 18 2.346 -0.999 5.800 1.00 0.00 O ATOM 219 CB LEU A 18 -0.889 -1.632 5.017 1.00 0.00 C ATOM 220 CG LEU A 18 -1.927 -2.472 5.767 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.249 -3.639 6.460 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.667 -1.627 6.776 1.00 0.00 C ATOM 0 H LEU A 18 -1.603 0.704 5.541 1.00 0.00 H new ATOM 0 HA LEU A 18 0.032 -1.040 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.408 -1.056 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.212 -2.312 4.500 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.648 -2.857 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.995 -4.230 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.751 -4.264 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.513 -3.263 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.400 -2.242 7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.959 -1.216 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.177 -0.812 6.263 1.00 0.00 H new ATOM 234 N VAL A 19 1.393 0.104 4.085 1.00 0.00 N ATOM 235 CA VAL A 19 2.630 0.294 3.352 1.00 0.00 C ATOM 236 C VAL A 19 3.603 1.158 4.150 1.00 0.00 C ATOM 237 O VAL A 19 4.806 0.927 4.132 1.00 0.00 O ATOM 238 CB VAL A 19 2.361 0.913 1.956 1.00 0.00 C ATOM 239 CG1 VAL A 19 2.214 2.426 2.002 1.00 0.00 C ATOM 240 CG2 VAL A 19 3.434 0.496 0.962 1.00 0.00 C ATOM 0 H VAL A 19 0.574 0.514 3.635 1.00 0.00 H new ATOM 0 HA VAL A 19 3.086 -0.685 3.202 1.00 0.00 H new ATOM 0 HB VAL A 19 1.403 0.519 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.027 2.804 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.379 2.691 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.131 2.869 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.223 0.943 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.408 0.836 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.441 -0.590 0.868 1.00 0.00 H new ATOM 250 N SER A 20 3.076 2.143 4.863 1.00 0.00 N ATOM 251 CA SER A 20 3.901 2.992 5.706 1.00 0.00 C ATOM 252 C SER A 20 4.291 2.284 7.005 1.00 0.00 C ATOM 253 O SER A 20 5.249 2.674 7.670 1.00 0.00 O ATOM 254 CB SER A 20 3.171 4.298 6.013 1.00 0.00 C ATOM 255 OG SER A 20 2.014 4.088 6.804 1.00 0.00 O ATOM 0 H SER A 20 2.082 2.373 4.874 1.00 0.00 H new ATOM 0 HA SER A 20 4.818 3.215 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.847 4.977 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.888 4.783 5.079 1.00 0.00 H new ATOM 0 HG SER A 20 1.921 3.132 7.000 1.00 0.00 H new ATOM 261 N ARG A 21 3.541 1.249 7.363 1.00 0.00 N ATOM 262 CA ARG A 21 3.760 0.535 8.583 1.00 0.00 C ATOM 263 C ARG A 21 4.855 -0.505 8.364 1.00 0.00 C ATOM 264 O ARG A 21 5.467 -1.005 9.308 1.00 0.00 O ATOM 265 CB ARG A 21 2.438 -0.085 9.072 1.00 0.00 C ATOM 266 CG ARG A 21 2.365 -1.542 8.810 1.00 0.00 C ATOM 267 CD ARG A 21 1.168 -2.211 9.469 1.00 0.00 C ATOM 268 NE ARG A 21 1.336 -3.663 9.568 1.00 0.00 N ATOM 269 CZ ARG A 21 0.330 -4.537 9.655 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.930 -4.115 9.662 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.591 -5.835 9.754 1.00 0.00 N ATOM 0 H ARG A 21 2.766 0.892 6.804 1.00 0.00 H new ATOM 0 HA ARG A 21 4.100 1.211 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.330 0.095 10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.603 0.412 8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.319 -1.709 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.280 -2.015 9.167 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.023 -1.794 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.268 -1.988 8.896 1.00 0.00 H new ATOM 0 HE ARG A 21 2.287 -4.032 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.134 -3.118 9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.693 -4.789 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.557 -6.162 9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.175 -6.506 9.821 1.00 0.00 H new ATOM 285 N ILE A 22 5.087 -0.815 7.100 1.00 0.00 N ATOM 286 CA ILE A 22 6.168 -1.703 6.708 1.00 0.00 C ATOM 287 C ILE A 22 7.344 -0.907 6.135 1.00 0.00 C ATOM 288 O ILE A 22 8.420 -0.849 6.732 1.00 0.00 O ATOM 289 CB ILE A 22 5.687 -2.705 5.661 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.359 -3.301 6.104 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.718 -3.794 5.473 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.476 -4.478 7.054 1.00 0.00 C ATOM 0 H ILE A 22 4.534 -0.460 6.320 1.00 0.00 H new ATOM 0 HA ILE A 22 6.496 -2.238 7.599 1.00 0.00 H new ATOM 0 HB ILE A 22 5.548 -2.195 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.769 -2.521 6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.806 -3.619 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.365 -4.503 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.657 -3.352 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.876 -4.313 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.480 -4.836 7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.035 -5.280 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.997 -4.165 7.959 1.00 0.00 H new ATOM 304 N VAL A 23 7.123 -0.295 4.971 1.00 0.00 N ATOM 305 CA VAL A 23 8.123 0.531 4.320 1.00 0.00 C ATOM 306 C VAL A 23 8.494 1.729 5.185 1.00 0.00 C ATOM 307 O VAL A 23 7.663 2.592 5.473 1.00 0.00 O ATOM 308 CB VAL A 23 7.587 1.018 2.974 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.634 1.832 2.247 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.136 -0.159 2.127 1.00 0.00 C ATOM 0 H VAL A 23 6.244 -0.362 4.458 1.00 0.00 H new ATOM 0 HA VAL A 23 9.018 -0.072 4.167 1.00 0.00 H new ATOM 0 HB VAL A 23 6.725 1.660 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.233 2.170 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.907 2.697 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.517 1.217 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.757 0.204 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.980 -0.826 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.347 -0.701 2.648 1.00 0.00 H new ATOM 320 N LYS A 24 9.759 1.788 5.565 1.00 0.00 N ATOM 321 CA LYS A 24 10.223 2.763 6.530 1.00 0.00 C ATOM 322 C LYS A 24 11.319 3.648 5.957 1.00 0.00 C ATOM 323 O LYS A 24 11.298 4.862 6.119 1.00 0.00 O ATOM 324 CB LYS A 24 10.747 2.038 7.747 1.00 0.00 C ATOM 325 CG LYS A 24 11.167 2.955 8.839 1.00 0.00 C ATOM 326 CD LYS A 24 10.050 3.874 9.224 1.00 0.00 C ATOM 327 CE LYS A 24 10.585 5.007 10.059 1.00 0.00 C ATOM 328 NZ LYS A 24 9.552 6.028 10.360 1.00 0.00 N ATOM 0 H LYS A 24 10.487 1.165 5.215 1.00 0.00 H new ATOM 0 HA LYS A 24 9.383 3.405 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.975 1.366 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.595 1.418 7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.481 2.374 9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.029 3.539 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.566 4.267 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.292 3.325 9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.982 4.610 10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.416 5.479 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.970 6.786 10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.191 6.429 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.770 5.586 10.884 1.00 0.00 H new ATOM 342 N ASN A 25 12.302 3.033 5.334 1.00 0.00 N ATOM 343 CA ASN A 25 13.386 3.785 4.717 1.00 0.00 C ATOM 344 C ASN A 25 13.286 3.765 3.203 1.00 0.00 C ATOM 345 O ASN A 25 14.255 4.068 2.508 1.00 0.00 O ATOM 346 CB ASN A 25 14.743 3.215 5.154 1.00 0.00 C ATOM 347 CG ASN A 25 14.955 1.782 4.671 1.00 0.00 C ATOM 348 OD1 ASN A 25 13.997 1.043 4.439 1.00 0.00 O ATOM 349 ND2 ASN A 25 16.207 1.376 4.528 1.00 0.00 N ATOM 0 H ASN A 25 12.377 2.020 5.239 1.00 0.00 H new ATOM 0 HA ASN A 25 13.301 4.820 5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.542 3.848 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.813 3.243 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.402 0.424 4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.976 2.015 4.729 1.00 0.00 H new ATOM 356 N HIS A 26 12.106 3.392 2.719 1.00 0.00 N ATOM 357 CA HIS A 26 11.779 3.282 1.290 1.00 0.00 C ATOM 358 C HIS A 26 12.647 2.266 0.549 1.00 0.00 C ATOM 359 O HIS A 26 12.319 1.872 -0.563 1.00 0.00 O ATOM 360 CB HIS A 26 11.817 4.643 0.564 1.00 0.00 C ATOM 361 CG HIS A 26 13.161 5.142 0.122 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.585 6.393 0.432 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.156 4.584 -0.617 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.782 6.597 -0.075 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.156 5.516 -0.720 1.00 0.00 N ATOM 0 H HIS A 26 11.322 3.149 3.324 1.00 0.00 H new ATOM 0 HA HIS A 26 10.753 2.915 1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.175 4.576 -0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.378 5.391 1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.158 3.592 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.361 7.503 0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.040 5.391 -1.214 1.00 0.00 H new ATOM 374 N ASN A 27 13.746 1.848 1.157 1.00 0.00 N ATOM 375 CA ASN A 27 14.709 0.983 0.496 1.00 0.00 C ATOM 376 C ASN A 27 14.288 -0.468 0.592 1.00 0.00 C ATOM 377 O ASN A 27 15.102 -1.372 0.786 1.00 0.00 O ATOM 378 CB ASN A 27 16.091 1.178 1.093 1.00 0.00 C ATOM 379 CG ASN A 27 16.958 2.066 0.245 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.651 1.596 -0.656 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.935 3.354 0.509 1.00 0.00 N ATOM 0 H ASN A 27 13.994 2.096 2.115 1.00 0.00 H new ATOM 0 HA ASN A 27 14.744 1.255 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.996 1.610 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.574 0.208 1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.504 3.998 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.348 3.709 1.264 1.00 0.00 H new ATOM 388 N GLU A 28 13.002 -0.666 0.459 1.00 0.00 N ATOM 389 CA GLU A 28 12.416 -1.982 0.451 1.00 0.00 C ATOM 390 C GLU A 28 12.257 -2.453 -0.983 1.00 0.00 C ATOM 391 O GLU A 28 12.625 -1.751 -1.927 1.00 0.00 O ATOM 392 CB GLU A 28 11.049 -1.957 1.130 1.00 0.00 C ATOM 393 CG GLU A 28 11.075 -1.522 2.585 1.00 0.00 C ATOM 394 CD GLU A 28 11.772 -2.516 3.496 1.00 0.00 C ATOM 395 OE1 GLU A 28 12.056 -3.646 3.051 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.028 -2.177 4.667 1.00 0.00 O ATOM 0 H GLU A 28 12.325 0.089 0.352 1.00 0.00 H new ATOM 0 HA GLU A 28 13.069 -2.664 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.394 -1.285 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.609 -2.953 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.577 -0.557 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.052 -1.377 2.932 1.00 0.00 H new ATOM 403 N ASN A 29 11.711 -3.635 -1.138 1.00 0.00 N ATOM 404 CA ASN A 29 11.395 -4.168 -2.449 1.00 0.00 C ATOM 405 C ASN A 29 9.931 -4.560 -2.472 1.00 0.00 C ATOM 406 O ASN A 29 9.536 -5.444 -1.721 1.00 0.00 O ATOM 407 CB ASN A 29 12.270 -5.385 -2.764 1.00 0.00 C ATOM 408 CG ASN A 29 11.993 -5.964 -4.140 1.00 0.00 C ATOM 409 OD1 ASN A 29 11.668 -5.240 -5.080 1.00 0.00 O ATOM 410 ND2 ASN A 29 12.100 -7.278 -4.260 1.00 0.00 N ATOM 0 H ASN A 29 11.472 -4.256 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 29 11.591 -3.408 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.320 -5.099 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.101 -6.154 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.910 -7.725 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.372 -7.843 -3.456 1.00 0.00 H new ATOM 417 N TRP A 30 9.137 -3.885 -3.309 1.00 0.00 N ATOM 418 CA TRP A 30 7.675 -4.052 -3.339 1.00 0.00 C ATOM 419 C TRP A 30 7.239 -5.499 -3.149 1.00 0.00 C ATOM 420 O TRP A 30 6.380 -5.787 -2.321 1.00 0.00 O ATOM 421 CB TRP A 30 7.108 -3.505 -4.640 1.00 0.00 C ATOM 422 CG TRP A 30 5.773 -4.047 -4.952 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.469 -4.799 -6.016 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.584 -3.918 -4.179 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.134 -5.120 -6.008 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.567 -4.592 -4.875 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.279 -3.286 -2.975 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.261 -4.653 -4.405 1.00 0.00 C ATOM 429 CZ3 TRP A 30 2.991 -3.351 -2.508 1.00 0.00 C ATOM 430 CH2 TRP A 30 1.990 -4.025 -3.222 1.00 0.00 C ATOM 0 H TRP A 30 9.487 -3.207 -3.986 1.00 0.00 H new ATOM 0 HA TRP A 30 7.278 -3.486 -2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.049 -2.418 -4.577 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.791 -3.740 -5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.173 -5.109 -6.773 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.646 -5.660 -6.723 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.040 -2.756 -2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.491 -5.176 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.743 -2.873 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.984 -4.048 -2.829 1.00 0.00 H new ATOM 441 N LEU A 31 7.839 -6.395 -3.894 1.00 0.00 N ATOM 442 CA LEU A 31 7.475 -7.789 -3.853 1.00 0.00 C ATOM 443 C LEU A 31 7.728 -8.367 -2.465 1.00 0.00 C ATOM 444 O LEU A 31 6.860 -9.011 -1.875 1.00 0.00 O ATOM 445 CB LEU A 31 8.271 -8.520 -4.914 1.00 0.00 C ATOM 446 CG LEU A 31 7.935 -8.122 -6.354 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.441 -8.220 -6.617 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.460 -6.738 -6.724 1.00 0.00 C ATOM 0 H LEU A 31 8.593 -6.178 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 31 6.411 -7.908 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.332 -8.341 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.105 -9.591 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 31 8.449 -8.836 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.233 -7.931 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.109 -9.245 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.908 -7.554 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.192 -6.511 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.019 -5.993 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.545 -6.720 -6.619 1.00 0.00 H new ATOM 460 N SER A 32 8.921 -8.119 -1.957 1.00 0.00 N ATOM 461 CA SER A 32 9.274 -8.459 -0.585 1.00 0.00 C ATOM 462 C SER A 32 8.301 -7.841 0.427 1.00 0.00 C ATOM 463 O SER A 32 7.734 -8.553 1.254 1.00 0.00 O ATOM 464 CB SER A 32 10.690 -8.000 -0.287 1.00 0.00 C ATOM 465 OG SER A 32 11.582 -8.397 -1.317 1.00 0.00 O ATOM 0 H SER A 32 9.675 -7.676 -2.482 1.00 0.00 H new ATOM 0 HA SER A 32 9.209 -9.543 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.710 -6.915 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.019 -8.418 0.664 1.00 0.00 H new ATOM 0 HG SER A 32 12.487 -8.088 -1.103 1.00 0.00 H new ATOM 471 N VAL A 33 8.085 -6.521 0.361 1.00 0.00 N ATOM 472 CA VAL A 33 7.165 -5.865 1.281 1.00 0.00 C ATOM 473 C VAL A 33 5.742 -6.383 1.097 1.00 0.00 C ATOM 474 O VAL A 33 4.916 -6.256 1.993 1.00 0.00 O ATOM 475 CB VAL A 33 7.195 -4.316 1.182 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.191 -3.744 2.171 1.00 0.00 C ATOM 477 CG2 VAL A 33 7.547 -3.860 -0.199 1.00 0.00 C ATOM 0 H VAL A 33 8.531 -5.899 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 33 7.511 -6.120 2.282 1.00 0.00 H new ATOM 0 HB VAL A 33 6.194 -3.954 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.201 -2.657 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.904 -4.030 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.185 -4.133 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.558 -2.771 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.532 -4.241 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.807 -4.236 -0.906 1.00 0.00 H new ATOM 487 N SER A 34 5.469 -6.986 -0.054 1.00 0.00 N ATOM 488 CA SER A 34 4.176 -7.607 -0.304 1.00 0.00 C ATOM 489 C SER A 34 4.052 -8.945 0.416 1.00 0.00 C ATOM 490 O SER A 34 2.977 -9.280 0.887 1.00 0.00 O ATOM 491 CB SER A 34 3.953 -7.797 -1.799 1.00 0.00 C ATOM 492 OG SER A 34 3.868 -6.553 -2.453 1.00 0.00 O ATOM 0 H SER A 34 6.128 -7.058 -0.830 1.00 0.00 H new ATOM 0 HA SER A 34 3.409 -6.938 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.771 -8.380 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.037 -8.364 -1.966 1.00 0.00 H new ATOM 0 HG SER A 34 4.758 -6.285 -2.764 1.00 0.00 H new ATOM 498 N ARG A 35 5.136 -9.720 0.491 1.00 0.00 N ATOM 499 CA ARG A 35 5.135 -10.941 1.292 1.00 0.00 C ATOM 500 C ARG A 35 4.806 -10.600 2.729 1.00 0.00 C ATOM 501 O ARG A 35 3.996 -11.244 3.388 1.00 0.00 O ATOM 502 CB ARG A 35 6.478 -11.597 1.282 1.00 0.00 C ATOM 503 CG ARG A 35 7.249 -11.414 0.030 1.00 0.00 C ATOM 504 CD ARG A 35 8.381 -12.368 0.062 1.00 0.00 C ATOM 505 NE ARG A 35 9.202 -12.349 -1.148 1.00 0.00 N ATOM 506 CZ ARG A 35 10.040 -13.328 -1.494 1.00 0.00 C ATOM 507 NH1 ARG A 35 9.976 -14.506 -0.883 1.00 0.00 N ATOM 508 NH2 ARG A 35 10.903 -13.147 -2.489 1.00 0.00 N ATOM 0 H ARG A 35 6.015 -9.525 0.012 1.00 0.00 H new ATOM 0 HA ARG A 35 4.395 -11.617 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.064 -11.206 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.347 -12.665 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.618 -11.597 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.613 -10.390 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.012 -12.141 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.991 -13.375 0.210 1.00 0.00 H new ATOM 0 HE ARG A 35 9.130 -11.539 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.286 -14.663 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.617 -15.254 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.925 -12.258 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.543 -13.897 -2.752 1.00 0.00 H new ATOM 522 N LYS A 36 5.509 -9.594 3.206 1.00 0.00 N ATOM 523 CA LYS A 36 5.266 -9.003 4.505 1.00 0.00 C ATOM 524 C LYS A 36 3.807 -8.600 4.649 1.00 0.00 C ATOM 525 O LYS A 36 3.061 -9.129 5.473 1.00 0.00 O ATOM 526 CB LYS A 36 6.146 -7.769 4.641 1.00 0.00 C ATOM 527 CG LYS A 36 7.580 -8.039 4.278 1.00 0.00 C ATOM 528 CD LYS A 36 8.495 -6.905 4.664 1.00 0.00 C ATOM 529 CE LYS A 36 9.918 -7.140 4.176 1.00 0.00 C ATOM 530 NZ LYS A 36 10.856 -6.080 4.641 1.00 0.00 N ATOM 0 H LYS A 36 6.276 -9.158 2.695 1.00 0.00 H new ATOM 0 HA LYS A 36 5.499 -9.731 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.756 -6.977 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.097 -7.404 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.911 -8.953 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.654 -8.212 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.116 -5.973 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.496 -6.791 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.266 -8.111 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.925 -7.176 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.744 -6.518 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.055 -5.425 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.425 -5.557 5.430 1.00 0.00 H new ATOM 544 N MET A 37 3.431 -7.663 3.807 1.00 0.00 N ATOM 545 CA MET A 37 2.096 -7.069 3.803 1.00 0.00 C ATOM 546 C MET A 37 0.960 -8.069 3.559 1.00 0.00 C ATOM 547 O MET A 37 -0.145 -7.865 4.051 1.00 0.00 O ATOM 548 CB MET A 37 2.035 -5.955 2.759 1.00 0.00 C ATOM 549 CG MET A 37 2.348 -4.588 3.336 1.00 0.00 C ATOM 550 SD MET A 37 1.927 -3.232 2.225 1.00 0.00 S ATOM 551 CE MET A 37 3.115 -3.483 0.911 1.00 0.00 C ATOM 0 H MET A 37 4.048 -7.280 3.091 1.00 0.00 H new ATOM 0 HA MET A 37 1.937 -6.675 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.740 -6.176 1.958 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.041 -5.936 2.312 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.804 -4.463 4.273 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.410 -4.537 3.575 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.217 -2.565 0.332 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.081 -3.751 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.772 -4.286 0.259 1.00 0.00 H new ATOM 561 N GLN A 38 1.211 -9.136 2.807 1.00 0.00 N ATOM 562 CA GLN A 38 0.147 -10.070 2.428 1.00 0.00 C ATOM 563 C GLN A 38 -0.422 -10.792 3.640 1.00 0.00 C ATOM 564 O GLN A 38 -1.523 -11.338 3.594 1.00 0.00 O ATOM 565 CB GLN A 38 0.643 -11.091 1.408 1.00 0.00 C ATOM 566 CG GLN A 38 1.621 -12.111 1.964 1.00 0.00 C ATOM 567 CD GLN A 38 2.158 -13.049 0.911 1.00 0.00 C ATOM 568 OE1 GLN A 38 2.237 -12.577 -0.313 1.00 0.00 O flip ATOM 569 NE2 GLN A 38 2.504 -14.196 1.200 1.00 0.00 N flip ATOM 0 H GLN A 38 2.135 -9.378 2.448 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.647 -9.476 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.216 -11.618 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.120 -10.561 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.453 -11.588 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.127 -12.692 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.427 -14.525 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.867 -14.817 0.477 1.00 0.00 H new ATOM 578 N ALA A 39 0.340 -10.790 4.712 1.00 0.00 N ATOM 579 CA ALA A 39 -0.114 -11.338 5.983 1.00 0.00 C ATOM 580 C ALA A 39 -1.112 -10.398 6.662 1.00 0.00 C ATOM 581 O ALA A 39 -1.452 -10.579 7.828 1.00 0.00 O ATOM 582 CB ALA A 39 1.074 -11.598 6.896 1.00 0.00 C ATOM 0 H ALA A 39 1.287 -10.412 4.733 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.622 -12.282 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.722 -12.007 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.749 -12.310 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.603 -10.663 7.079 1.00 0.00 H new ATOM 588 N SER A 40 -1.567 -9.391 5.928 1.00 0.00 N ATOM 589 CA SER A 40 -2.524 -8.435 6.432 1.00 0.00 C ATOM 590 C SER A 40 -3.667 -8.259 5.433 1.00 0.00 C ATOM 591 O SER A 40 -3.450 -8.006 4.241 1.00 0.00 O ATOM 592 CB SER A 40 -1.833 -7.101 6.690 1.00 0.00 C ATOM 593 OG SER A 40 -0.711 -7.271 7.541 1.00 0.00 O ATOM 0 H SER A 40 -1.278 -9.220 4.965 1.00 0.00 H new ATOM 0 HA SER A 40 -2.939 -8.804 7.370 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.515 -6.662 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.537 -6.403 7.144 1.00 0.00 H new ATOM 0 HG SER A 40 -0.035 -6.594 7.330 1.00 0.00 H new ATOM 599 N PRO A 41 -4.901 -8.413 5.927 1.00 0.00 N ATOM 600 CA PRO A 41 -6.126 -8.287 5.132 1.00 0.00 C ATOM 601 C PRO A 41 -6.225 -6.956 4.441 1.00 0.00 C ATOM 602 O PRO A 41 -6.843 -6.834 3.388 1.00 0.00 O ATOM 603 CB PRO A 41 -7.257 -8.425 6.150 1.00 0.00 C ATOM 604 CG PRO A 41 -6.624 -8.323 7.481 1.00 0.00 C ATOM 605 CD PRO A 41 -5.189 -8.734 7.323 1.00 0.00 C ATOM 0 HA PRO A 41 -6.157 -9.036 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.003 -7.642 6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.771 -9.379 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.693 -7.304 7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.132 -8.967 8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.537 -8.188 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.049 -9.795 7.529 1.00 0.00 H new ATOM 613 N GLU A 42 -5.625 -5.966 5.053 1.00 0.00 N ATOM 614 CA GLU A 42 -5.599 -4.632 4.492 1.00 0.00 C ATOM 615 C GLU A 42 -4.952 -4.635 3.112 1.00 0.00 C ATOM 616 O GLU A 42 -5.530 -4.142 2.137 1.00 0.00 O ATOM 617 CB GLU A 42 -4.868 -3.667 5.418 1.00 0.00 C ATOM 618 CG GLU A 42 -5.537 -3.453 6.769 1.00 0.00 C ATOM 619 CD GLU A 42 -5.536 -4.691 7.641 1.00 0.00 C ATOM 620 OE1 GLU A 42 -4.526 -5.422 7.638 1.00 0.00 O ATOM 621 OE2 GLU A 42 -6.546 -4.936 8.333 1.00 0.00 O ATOM 0 H GLU A 42 -5.143 -6.057 5.947 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.630 -4.294 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.857 -4.039 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.775 -2.703 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.027 -2.646 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.566 -3.130 6.610 1.00 0.00 H new ATOM 628 N TYR A 43 -3.762 -5.211 3.038 1.00 0.00 N ATOM 629 CA TYR A 43 -3.056 -5.368 1.778 1.00 0.00 C ATOM 630 C TYR A 43 -3.901 -6.174 0.801 1.00 0.00 C ATOM 631 O TYR A 43 -4.087 -5.777 -0.349 1.00 0.00 O ATOM 632 CB TYR A 43 -1.713 -6.062 2.031 1.00 0.00 C ATOM 633 CG TYR A 43 -1.043 -6.611 0.789 1.00 0.00 C ATOM 634 CD1 TYR A 43 -0.205 -5.816 0.016 1.00 0.00 C ATOM 635 CD2 TYR A 43 -1.245 -7.931 0.394 1.00 0.00 C ATOM 636 CE1 TYR A 43 0.408 -6.316 -1.117 1.00 0.00 C ATOM 637 CE2 TYR A 43 -0.632 -8.439 -0.737 1.00 0.00 C ATOM 638 CZ TYR A 43 0.194 -7.626 -1.489 1.00 0.00 C ATOM 639 OH TYR A 43 0.805 -8.120 -2.624 1.00 0.00 O ATOM 0 H TYR A 43 -3.261 -5.581 3.846 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.871 -4.387 1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.037 -5.353 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.868 -6.879 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.030 -4.790 0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.891 -8.568 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.052 -5.683 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.798 -9.465 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 43 0.554 -9.059 -2.748 1.00 0.00 H new ATOM 649 N GLN A 44 -4.423 -7.296 1.286 1.00 0.00 N ATOM 650 CA GLN A 44 -5.243 -8.193 0.476 1.00 0.00 C ATOM 651 C GLN A 44 -6.421 -7.469 -0.140 1.00 0.00 C ATOM 652 O GLN A 44 -6.617 -7.498 -1.350 1.00 0.00 O ATOM 653 CB GLN A 44 -5.775 -9.332 1.339 1.00 0.00 C ATOM 654 CG GLN A 44 -4.687 -10.205 1.895 1.00 0.00 C ATOM 655 CD GLN A 44 -3.961 -10.979 0.812 1.00 0.00 C ATOM 656 OE1 GLN A 44 -4.525 -11.265 -0.246 1.00 0.00 O ATOM 657 NE2 GLN A 44 -2.726 -11.356 1.080 1.00 0.00 N ATOM 0 H GLN A 44 -4.291 -7.609 2.248 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.610 -8.580 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.356 -8.916 2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.456 -9.943 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.972 -9.588 2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.116 -10.904 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.295 -11.098 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.201 -11.905 0.399 1.00 0.00 H new ATOM 666 N ASP A 45 -7.196 -6.835 0.719 1.00 0.00 N ATOM 667 CA ASP A 45 -8.442 -6.183 0.313 1.00 0.00 C ATOM 668 C ASP A 45 -8.205 -5.144 -0.774 1.00 0.00 C ATOM 669 O ASP A 45 -8.881 -5.146 -1.801 1.00 0.00 O ATOM 670 CB ASP A 45 -9.130 -5.536 1.518 1.00 0.00 C ATOM 671 CG ASP A 45 -10.580 -5.181 1.239 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.375 -6.103 0.954 1.00 0.00 O ATOM 673 OD2 ASP A 45 -10.943 -3.993 1.350 1.00 0.00 O ATOM 0 H ASP A 45 -6.988 -6.753 1.714 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.094 -6.954 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.083 -6.217 2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.587 -4.635 1.802 1.00 0.00 H new ATOM 678 N TYR A 46 -7.220 -4.285 -0.568 1.00 0.00 N ATOM 679 CA TYR A 46 -6.934 -3.220 -1.525 1.00 0.00 C ATOM 680 C TYR A 46 -6.417 -3.778 -2.835 1.00 0.00 C ATOM 681 O TYR A 46 -6.744 -3.268 -3.912 1.00 0.00 O ATOM 682 CB TYR A 46 -5.940 -2.203 -0.954 1.00 0.00 C ATOM 683 CG TYR A 46 -5.595 -1.098 -1.929 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.504 -0.084 -2.208 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.368 -1.075 -2.583 1.00 0.00 C ATOM 686 CE1 TYR A 46 -6.200 0.920 -3.106 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.058 -0.075 -3.485 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.977 0.921 -3.742 1.00 0.00 C ATOM 689 OH TYR A 46 -4.671 1.919 -4.639 1.00 0.00 O ATOM 0 H TYR A 46 -6.607 -4.301 0.247 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.875 -2.705 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.359 -1.763 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.026 -2.721 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.464 -0.081 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.645 -1.852 -2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.917 1.701 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.101 -0.073 -3.986 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.771 1.772 -4.997 1.00 0.00 H new ATOM 699 N VAL A 47 -5.628 -4.828 -2.758 1.00 0.00 N ATOM 700 CA VAL A 47 -5.092 -5.421 -3.960 1.00 0.00 C ATOM 701 C VAL A 47 -6.156 -6.266 -4.659 1.00 0.00 C ATOM 702 O VAL A 47 -6.102 -6.495 -5.867 1.00 0.00 O ATOM 703 CB VAL A 47 -3.826 -6.259 -3.663 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.337 -6.995 -4.901 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.723 -5.371 -3.111 1.00 0.00 C ATOM 0 H VAL A 47 -5.348 -5.282 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.798 -4.613 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.092 -7.006 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.446 -7.573 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.118 -7.667 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.096 -6.274 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.838 -5.974 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.476 -4.601 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.062 -4.900 -2.188 1.00 0.00 H new ATOM 715 N TYR A 48 -7.139 -6.696 -3.889 1.00 0.00 N ATOM 716 CA TYR A 48 -8.276 -7.418 -4.406 1.00 0.00 C ATOM 717 C TYR A 48 -9.146 -6.482 -5.232 1.00 0.00 C ATOM 718 O TYR A 48 -9.469 -6.768 -6.385 1.00 0.00 O ATOM 719 CB TYR A 48 -9.048 -7.986 -3.222 1.00 0.00 C ATOM 720 CG TYR A 48 -10.503 -8.237 -3.480 1.00 0.00 C ATOM 721 CD1 TYR A 48 -10.937 -9.396 -4.094 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.437 -7.305 -3.085 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.286 -9.622 -4.307 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.783 -7.512 -3.293 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.206 -8.672 -3.902 1.00 0.00 C ATOM 726 OH TYR A 48 -14.549 -8.884 -4.107 1.00 0.00 O ATOM 0 H TYR A 48 -7.166 -6.550 -2.880 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.957 -8.233 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.581 -8.923 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.956 -7.297 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.215 -10.134 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.108 -6.396 -2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.617 -10.532 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.502 -6.769 -2.980 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.057 -8.120 -3.763 1.00 0.00 H new ATOM 736 N LEU A 49 -9.512 -5.363 -4.622 1.00 0.00 N ATOM 737 CA LEU A 49 -10.321 -4.341 -5.287 1.00 0.00 C ATOM 738 C LEU A 49 -9.630 -3.852 -6.546 1.00 0.00 C ATOM 739 O LEU A 49 -10.081 -4.102 -7.666 1.00 0.00 O ATOM 740 CB LEU A 49 -10.537 -3.134 -4.373 1.00 0.00 C ATOM 741 CG LEU A 49 -10.995 -3.441 -2.960 1.00 0.00 C ATOM 742 CD1 LEU A 49 -10.956 -2.182 -2.111 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.394 -4.038 -2.952 1.00 0.00 C ATOM 0 H LEU A 49 -9.261 -5.135 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.280 -4.798 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.603 -2.574 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.274 -2.479 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.312 -4.178 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.287 -2.415 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.937 -1.796 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.616 -1.430 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.694 -4.247 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.094 -3.331 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.398 -4.964 -3.527 1.00 0.00 H new ATOM 755 N GLU A 50 -8.522 -3.164 -6.343 1.00 0.00 N ATOM 756 CA GLU A 50 -7.820 -2.510 -7.438 1.00 0.00 C ATOM 757 C GLU A 50 -6.839 -3.443 -8.128 1.00 0.00 C ATOM 758 O GLU A 50 -7.058 -3.844 -9.271 1.00 0.00 O ATOM 759 CB GLU A 50 -7.107 -1.255 -6.942 1.00 0.00 C ATOM 760 CG GLU A 50 -8.070 -0.166 -6.515 1.00 0.00 C ATOM 761 CD GLU A 50 -8.986 0.258 -7.646 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.579 1.119 -8.456 1.00 0.00 O ATOM 763 OE2 GLU A 50 -10.107 -0.277 -7.744 1.00 0.00 O ATOM 0 H GLU A 50 -8.086 -3.042 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.568 -2.224 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.464 -1.516 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.460 -0.873 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.670 -0.521 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.507 0.698 -6.161 1.00 0.00 H new ATOM 770 N GLY A 51 -5.763 -3.785 -7.446 1.00 0.00 N ATOM 771 CA GLY A 51 -4.781 -4.665 -8.036 1.00 0.00 C ATOM 772 C GLY A 51 -3.401 -4.469 -7.456 1.00 0.00 C ATOM 773 O GLY A 51 -3.157 -3.516 -6.712 1.00 0.00 O ATOM 0 H GLY A 51 -5.551 -3.472 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.090 -5.700 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.746 -4.495 -9.112 1.00 0.00 H new ATOM 777 N THR A 52 -2.500 -5.374 -7.800 1.00 0.00 N ATOM 778 CA THR A 52 -1.143 -5.350 -7.287 1.00 0.00 C ATOM 779 C THR A 52 -0.347 -4.180 -7.862 1.00 0.00 C ATOM 780 O THR A 52 0.539 -3.645 -7.205 1.00 0.00 O ATOM 781 CB THR A 52 -0.430 -6.669 -7.626 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.412 -7.680 -7.901 1.00 0.00 O ATOM 783 CG2 THR A 52 0.458 -7.115 -6.475 1.00 0.00 C ATOM 0 H THR A 52 -2.689 -6.144 -8.442 1.00 0.00 H new ATOM 0 HA THR A 52 -1.200 -5.226 -6.206 1.00 0.00 H new ATOM 0 HB THR A 52 0.199 -6.514 -8.503 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.962 -8.523 -8.119 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.952 -8.050 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.210 -6.351 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.150 -7.264 -5.583 1.00 0.00 H new ATOM 791 N GLN A 53 -0.685 -3.775 -9.082 1.00 0.00 N ATOM 792 CA GLN A 53 0.049 -2.714 -9.765 1.00 0.00 C ATOM 793 C GLN A 53 -0.233 -1.368 -9.123 1.00 0.00 C ATOM 794 O GLN A 53 0.674 -0.574 -8.898 1.00 0.00 O ATOM 795 CB GLN A 53 -0.332 -2.656 -11.243 1.00 0.00 C ATOM 796 CG GLN A 53 -0.291 -3.996 -11.928 1.00 0.00 C ATOM 797 CD GLN A 53 -0.329 -3.879 -13.437 1.00 0.00 C ATOM 798 OE1 GLN A 53 0.710 -3.798 -14.093 1.00 0.00 O ATOM 799 NE2 GLN A 53 -1.527 -3.865 -13.996 1.00 0.00 N ATOM 0 H GLN A 53 -1.461 -4.164 -9.618 1.00 0.00 H new ATOM 0 HA GLN A 53 1.112 -2.938 -9.678 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.336 -2.241 -11.335 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.344 -1.973 -11.758 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.615 -4.524 -11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.136 -4.598 -11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.362 -3.935 -13.414 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.616 -3.785 -15.009 1.00 0.00 H new ATOM 808 N LYS A 54 -1.499 -1.122 -8.845 1.00 0.00 N ATOM 809 CA LYS A 54 -1.910 0.111 -8.182 1.00 0.00 C ATOM 810 C LYS A 54 -1.359 0.202 -6.773 1.00 0.00 C ATOM 811 O LYS A 54 -0.977 1.273 -6.315 1.00 0.00 O ATOM 812 CB LYS A 54 -3.399 0.233 -8.168 1.00 0.00 C ATOM 813 CG LYS A 54 -3.946 0.511 -9.531 1.00 0.00 C ATOM 814 CD LYS A 54 -5.235 1.283 -9.444 1.00 0.00 C ATOM 815 CE LYS A 54 -5.992 1.267 -10.760 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.311 1.937 -10.645 1.00 0.00 N ATOM 0 H LYS A 54 -2.265 -1.758 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.495 0.941 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.836 -0.688 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.692 1.034 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.217 1.076 -10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.114 -0.428 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.861 0.858 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.023 2.314 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.398 1.763 -11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.135 0.236 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.989 1.481 -11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.656 1.859 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.214 2.941 -10.899 1.00 0.00 H new ATOM 830 N ALA A 55 -1.324 -0.929 -6.092 1.00 0.00 N ATOM 831 CA ALA A 55 -0.713 -1.005 -4.770 1.00 0.00 C ATOM 832 C ALA A 55 0.795 -0.815 -4.878 1.00 0.00 C ATOM 833 O ALA A 55 1.399 -0.168 -4.032 1.00 0.00 O ATOM 834 CB ALA A 55 -1.046 -2.336 -4.111 1.00 0.00 C ATOM 0 H ALA A 55 -1.711 -1.810 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.116 -0.207 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.584 -2.379 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.127 -2.431 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.666 -3.152 -4.726 1.00 0.00 H new ATOM 840 N LYS A 56 1.402 -1.382 -5.920 1.00 0.00 N ATOM 841 CA LYS A 56 2.801 -1.148 -6.199 1.00 0.00 C ATOM 842 C LYS A 56 3.051 0.332 -6.452 1.00 0.00 C ATOM 843 O LYS A 56 3.920 0.932 -5.842 1.00 0.00 O ATOM 844 CB LYS A 56 3.240 -1.979 -7.401 1.00 0.00 C ATOM 845 CG LYS A 56 4.730 -1.989 -7.581 1.00 0.00 C ATOM 846 CD LYS A 56 5.142 -2.941 -8.686 1.00 0.00 C ATOM 847 CE LYS A 56 6.648 -3.135 -8.731 1.00 0.00 C ATOM 848 NZ LYS A 56 7.054 -4.077 -9.806 1.00 0.00 N ATOM 0 H LYS A 56 0.938 -2.006 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 56 3.388 -1.451 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.885 -3.003 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.771 -1.584 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.077 -0.983 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.210 -2.282 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.656 -3.905 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.796 -2.556 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.133 -2.172 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.994 -3.512 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.089 -4.182 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.612 -5.004 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.746 -3.706 -10.727 1.00 0.00 H new ATOM 862 N LYS A 57 2.270 0.921 -7.345 1.00 0.00 N ATOM 863 CA LYS A 57 2.319 2.323 -7.620 1.00 0.00 C ATOM 864 C LYS A 57 2.144 3.131 -6.335 1.00 0.00 C ATOM 865 O LYS A 57 2.820 4.135 -6.123 1.00 0.00 O ATOM 866 CB LYS A 57 1.189 2.610 -8.588 1.00 0.00 C ATOM 867 CG LYS A 57 1.339 3.913 -9.277 1.00 0.00 C ATOM 868 CD LYS A 57 2.251 3.792 -10.471 1.00 0.00 C ATOM 869 CE LYS A 57 1.684 2.838 -11.485 1.00 0.00 C ATOM 870 NZ LYS A 57 2.501 2.764 -12.726 1.00 0.00 N ATOM 0 H LYS A 57 1.578 0.418 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 57 3.282 2.606 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.143 1.814 -9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.242 2.597 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.361 4.274 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.740 4.651 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.392 4.772 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.233 3.446 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.613 1.844 -11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.670 3.147 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.065 2.092 -13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.549 3.705 -13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.462 2.443 -12.490 1.00 0.00 H new ATOM 884 N LEU A 58 1.232 2.670 -5.487 1.00 0.00 N ATOM 885 CA LEU A 58 0.985 3.284 -4.189 1.00 0.00 C ATOM 886 C LEU A 58 2.237 3.163 -3.305 1.00 0.00 C ATOM 887 O LEU A 58 2.644 4.125 -2.644 1.00 0.00 O ATOM 888 CB LEU A 58 -0.238 2.611 -3.539 1.00 0.00 C ATOM 889 CG LEU A 58 -0.800 3.278 -2.290 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.564 4.784 -2.309 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.288 3.000 -2.178 1.00 0.00 C ATOM 0 H LEU A 58 0.643 1.860 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 58 0.770 4.346 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.033 2.557 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.032 1.586 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.281 2.861 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.977 5.228 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.506 4.984 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.052 5.218 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.682 3.481 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.799 3.395 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.453 1.924 -2.115 1.00 0.00 H new ATOM 903 N PHE A 59 2.834 1.974 -3.312 1.00 0.00 N ATOM 904 CA PHE A 59 4.143 1.736 -2.701 1.00 0.00 C ATOM 905 C PHE A 59 5.155 2.774 -3.186 1.00 0.00 C ATOM 906 O PHE A 59 5.765 3.476 -2.382 1.00 0.00 O ATOM 907 CB PHE A 59 4.622 0.310 -3.049 1.00 0.00 C ATOM 908 CG PHE A 59 6.066 0.025 -2.727 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.499 -0.018 -1.415 1.00 0.00 C ATOM 910 CD2 PHE A 59 6.990 -0.211 -3.742 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.821 -0.285 -1.116 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.313 -0.477 -3.443 1.00 0.00 C ATOM 913 CZ PHE A 59 8.728 -0.514 -2.129 1.00 0.00 C ATOM 0 H PHE A 59 2.424 1.145 -3.742 1.00 0.00 H new ATOM 0 HA PHE A 59 4.055 1.828 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.998 -0.407 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.463 0.140 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.796 0.159 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.670 -0.186 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.145 -0.314 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.021 -0.656 -4.238 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.761 -0.722 -1.893 1.00 0.00 H new ATOM 923 N LEU A 60 5.291 2.876 -4.507 1.00 0.00 N ATOM 924 CA LEU A 60 6.206 3.825 -5.145 1.00 0.00 C ATOM 925 C LEU A 60 6.003 5.241 -4.627 1.00 0.00 C ATOM 926 O LEU A 60 6.961 5.937 -4.291 1.00 0.00 O ATOM 927 CB LEU A 60 5.989 3.827 -6.656 1.00 0.00 C ATOM 928 CG LEU A 60 6.772 2.811 -7.461 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.261 3.092 -7.388 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.495 1.391 -7.012 1.00 0.00 C ATOM 0 H LEU A 60 4.769 2.302 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 60 7.220 3.505 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.928 3.666 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.234 4.820 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 60 6.440 2.907 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.801 2.348 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.464 4.086 -7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.590 3.044 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.078 0.698 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.773 1.280 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.434 1.172 -7.131 1.00 0.00 H new ATOM 942 N GLN A 61 4.754 5.668 -4.614 1.00 0.00 N ATOM 943 CA GLN A 61 4.381 6.969 -4.072 1.00 0.00 C ATOM 944 C GLN A 61 4.946 7.176 -2.688 1.00 0.00 C ATOM 945 O GLN A 61 5.722 8.100 -2.459 1.00 0.00 O ATOM 946 CB GLN A 61 2.883 7.083 -3.985 1.00 0.00 C ATOM 947 CG GLN A 61 2.196 6.992 -5.311 1.00 0.00 C ATOM 948 CD GLN A 61 2.393 8.213 -6.166 1.00 0.00 C ATOM 949 OE1 GLN A 61 2.601 9.319 -5.666 1.00 0.00 O ATOM 950 NE2 GLN A 61 2.300 8.026 -7.464 1.00 0.00 N ATOM 0 H GLN A 61 3.969 5.127 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 61 4.788 7.725 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.504 6.295 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.626 8.033 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.568 6.118 -5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.129 6.837 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.127 7.091 -7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.401 8.816 -8.102 1.00 0.00 H new ATOM 959 N HIS A 62 4.528 6.329 -1.758 1.00 0.00 N ATOM 960 CA HIS A 62 5.042 6.402 -0.388 1.00 0.00 C ATOM 961 C HIS A 62 6.558 6.350 -0.389 1.00 0.00 C ATOM 962 O HIS A 62 7.188 6.976 0.449 1.00 0.00 O ATOM 963 CB HIS A 62 4.502 5.283 0.516 1.00 0.00 C ATOM 964 CG HIS A 62 4.708 5.573 1.982 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.698 4.996 2.774 1.00 0.00 N ATOM 966 CD2 HIS A 62 4.046 6.429 2.794 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.620 5.492 3.990 1.00 0.00 C ATOM 968 NE2 HIS A 62 4.631 6.363 4.031 1.00 0.00 N ATOM 0 H HIS A 62 3.843 5.590 -1.919 1.00 0.00 H new ATOM 0 HA HIS A 62 4.695 7.352 0.018 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.438 5.146 0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.996 4.345 0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.208 7.052 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.261 5.229 4.819 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.348 6.900 4.850 1.00 0.00 H new ATOM 977 N ILE A 63 7.143 5.609 -1.323 1.00 0.00 N ATOM 978 CA ILE A 63 8.590 5.579 -1.455 1.00 0.00 C ATOM 979 C ILE A 63 9.127 6.973 -1.701 1.00 0.00 C ATOM 980 O ILE A 63 10.100 7.388 -1.090 1.00 0.00 O ATOM 981 CB ILE A 63 9.072 4.654 -2.573 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.732 3.218 -2.220 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.574 4.820 -2.791 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.142 2.819 -0.827 1.00 0.00 C ATOM 0 H ILE A 63 6.641 5.027 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 63 8.972 5.184 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 63 8.569 4.918 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.657 3.072 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.217 2.554 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.901 4.155 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.790 5.852 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.105 4.572 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.865 1.780 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.221 2.931 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.637 3.457 -0.102 1.00 0.00 H new ATOM 996 N HIS A 64 8.453 7.701 -2.574 1.00 0.00 N ATOM 997 CA HIS A 64 8.809 9.079 -2.869 1.00 0.00 C ATOM 998 C HIS A 64 8.698 9.889 -1.598 1.00 0.00 C ATOM 999 O HIS A 64 9.590 10.651 -1.238 1.00 0.00 O ATOM 1000 CB HIS A 64 7.856 9.615 -3.958 1.00 0.00 C ATOM 1001 CG HIS A 64 7.798 11.089 -4.086 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.505 11.839 -3.019 1.00 0.00 N ATOM 1003 CD2 HIS A 64 7.996 11.940 -5.120 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.519 13.115 -3.344 1.00 0.00 C ATOM 1005 NE2 HIS A 64 7.813 13.210 -4.626 1.00 0.00 N ATOM 0 H HIS A 64 7.647 7.356 -3.096 1.00 0.00 H new ATOM 0 HA HIS A 64 9.832 9.150 -3.239 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.158 9.196 -4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.852 9.246 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.249 11.673 -6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.324 13.941 -2.676 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.891 14.076 -5.159 1.00 0.00 H new ATOM 1014 N ARG A 65 7.568 9.718 -0.960 1.00 0.00 N ATOM 1015 CA ARG A 65 7.205 10.441 0.231 1.00 0.00 C ATOM 1016 C ARG A 65 8.182 10.168 1.367 1.00 0.00 C ATOM 1017 O ARG A 65 8.546 11.064 2.121 1.00 0.00 O ATOM 1018 CB ARG A 65 5.810 10.033 0.579 1.00 0.00 C ATOM 1019 CG ARG A 65 4.865 10.221 -0.580 1.00 0.00 C ATOM 1020 CD ARG A 65 4.685 11.682 -0.919 1.00 0.00 C ATOM 1021 NE ARG A 65 3.493 12.247 -0.294 1.00 0.00 N ATOM 1022 CZ ARG A 65 3.237 13.553 -0.192 1.00 0.00 C ATOM 1023 NH1 ARG A 65 4.095 14.460 -0.644 1.00 0.00 N ATOM 1024 NH2 ARG A 65 2.105 13.954 0.363 1.00 0.00 N ATOM 0 H ARG A 65 6.856 9.054 -1.264 1.00 0.00 H new ATOM 0 HA ARG A 65 7.250 11.517 0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.803 8.987 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.462 10.618 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.247 9.689 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.898 9.781 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.563 12.240 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.616 11.797 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 65 2.807 11.598 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.969 14.163 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.880 15.453 -0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.435 13.267 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.902 14.950 0.445 1.00 0.00 H new ATOM 1038 N LEU A 66 8.573 8.912 1.484 1.00 0.00 N ATOM 1039 CA LEU A 66 9.713 8.513 2.293 1.00 0.00 C ATOM 1040 C LEU A 66 10.877 9.484 2.122 1.00 0.00 C ATOM 1041 O LEU A 66 11.191 10.304 2.985 1.00 0.00 O ATOM 1042 CB LEU A 66 10.214 7.166 1.809 1.00 0.00 C ATOM 1043 CG LEU A 66 9.987 5.971 2.703 1.00 0.00 C ATOM 1044 CD1 LEU A 66 9.820 6.346 4.128 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.819 5.158 2.292 1.00 0.00 C ATOM 0 H LEU A 66 8.106 8.134 1.018 1.00 0.00 H new ATOM 0 HA LEU A 66 9.387 8.489 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.745 6.959 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.286 7.252 1.629 1.00 0.00 H new ATOM 0 HG LEU A 66 10.892 5.374 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.660 5.448 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.717 6.858 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.960 7.008 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.706 4.313 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.919 5.772 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.971 4.789 1.278 1.00 0.00 H new ATOM 1057 N LYS A 67 11.500 9.322 0.962 1.00 0.00 N ATOM 1058 CA LYS A 67 12.679 10.082 0.529 1.00 0.00 C ATOM 1059 C LYS A 67 12.497 11.573 0.737 1.00 0.00 C ATOM 1060 O LYS A 67 13.251 12.221 1.460 1.00 0.00 O ATOM 1061 CB LYS A 67 12.923 9.829 -0.968 1.00 0.00 C ATOM 1062 CG LYS A 67 12.695 8.408 -1.384 1.00 0.00 C ATOM 1063 CD LYS A 67 12.980 8.145 -2.841 1.00 0.00 C ATOM 1064 CE LYS A 67 11.827 8.560 -3.742 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.206 8.532 -5.180 1.00 0.00 N ATOM 0 H LYS A 67 11.194 8.638 0.270 1.00 0.00 H new ATOM 0 HA LYS A 67 13.526 9.749 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.267 10.478 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.947 10.110 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.324 7.757 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.660 8.139 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.880 8.685 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.184 7.084 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.980 7.894 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.500 9.564 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.392 8.821 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.997 9.187 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.494 7.568 -5.444 1.00 0.00 H new ATOM 1079 N HIS A 68 11.479 12.096 0.091 1.00 0.00 N ATOM 1080 CA HIS A 68 11.223 13.506 0.064 1.00 0.00 C ATOM 1081 C HIS A 68 9.745 13.743 -0.151 1.00 0.00 C ATOM 1082 O HIS A 68 9.289 13.898 -1.275 1.00 0.00 O ATOM 1083 CB HIS A 68 12.071 14.190 -1.016 1.00 0.00 C ATOM 1084 CG HIS A 68 12.005 13.570 -2.378 1.00 0.00 C ATOM 1085 ND1 HIS A 68 11.129 12.571 -2.689 1.00 0.00 N ATOM 1086 CD2 HIS A 68 12.726 13.803 -3.499 1.00 0.00 C ATOM 1087 CE1 HIS A 68 11.307 12.201 -3.945 1.00 0.00 C ATOM 1088 NE2 HIS A 68 12.270 12.937 -4.463 1.00 0.00 N ATOM 0 H HIS A 68 10.802 11.542 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 68 11.507 13.946 1.020 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.757 15.231 -1.094 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.111 14.194 -0.688 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.442 12.171 -2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.513 14.533 -3.614 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.757 11.427 -4.460 1.00 0.00 H new ATOM 1097 N GLU A 69 9.006 13.719 0.936 1.00 0.00 N ATOM 1098 CA GLU A 69 7.560 13.803 0.890 1.00 0.00 C ATOM 1099 C GLU A 69 7.100 15.069 0.174 1.00 0.00 C ATOM 1100 O GLU A 69 7.070 16.141 0.813 1.00 0.00 O ATOM 1101 CB GLU A 69 6.987 13.768 2.299 1.00 0.00 C ATOM 1102 CG GLU A 69 5.639 13.087 2.363 1.00 0.00 C ATOM 1103 CD GLU A 69 4.888 13.399 3.639 1.00 0.00 C ATOM 1104 OE1 GLU A 69 4.493 14.568 3.830 1.00 0.00 O ATOM 1105 OE2 GLU A 69 4.704 12.480 4.465 1.00 0.00 O ATOM 1106 OXT GLU A 69 6.760 14.979 -1.023 1.00 0.00 O ATOM 0 H GLU A 69 9.389 13.641 1.878 1.00 0.00 H new ATOM 0 HA GLU A 69 7.193 12.943 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.684 13.249 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.893 14.787 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.039 13.397 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.777 12.009 2.282 1.00 0.00 H new TER 1113 GLU A 69