USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 52 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot 100:sc= 1.08 USER MOD Set 2.1: A 42 ASN : amide:sc= 1.05 K(o=2.3,f=-5.4) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 47 MET CE :methyl -160:sc= -0.0105 (180deg=-0.25) USER MOD Set 3.2: A 50 CYS SG : rot -7:sc= -0.488 USER MOD Set 4.1: A 25 GLN : amide:sc= 1.01 K(o=2.3,f=-6.2) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0) USER MOD Single : A 3 TYR OH : rot -146:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc=-0.00348 (180deg=-0.105) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.649) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.177 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0189 F(o=-1.1,f=-0.019) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 177:sc= 0.342 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.158 13.461 -4.031 1.00 0.00 N ATOM 19 CA ALA A 2 8.096 12.491 -3.998 1.00 0.00 C ATOM 20 C ALA A 2 8.467 11.274 -4.822 1.00 0.00 C ATOM 21 O ALA A 2 9.256 11.370 -5.760 1.00 0.00 O ATOM 22 CB ALA A 2 6.801 13.108 -4.505 1.00 0.00 C ATOM 0 HA ALA A 2 7.945 12.173 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.006 12.363 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.529 13.954 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.938 13.450 -5.531 1.00 0.00 H new ATOM 28 N TYR A 3 7.905 10.148 -4.471 1.00 0.00 N ATOM 29 CA TYR A 3 8.168 8.884 -5.158 1.00 0.00 C ATOM 30 C TYR A 3 7.038 8.586 -6.129 1.00 0.00 C ATOM 31 O TYR A 3 6.016 9.275 -6.123 1.00 0.00 O ATOM 32 CB TYR A 3 8.260 7.722 -4.150 1.00 0.00 C ATOM 33 CG TYR A 3 9.427 7.755 -3.175 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.692 8.873 -2.405 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.246 6.646 -3.011 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.726 8.893 -1.511 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.285 6.657 -2.102 1.00 0.00 C ATOM 38 CZ TYR A 3 11.517 7.787 -1.356 1.00 0.00 C ATOM 39 OH TYR A 3 12.533 7.809 -0.434 1.00 0.00 O ATOM 0 H TYR A 3 7.246 10.068 -3.697 1.00 0.00 H new ATOM 0 HA TYR A 3 9.115 8.978 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.335 7.698 -3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.311 6.788 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.069 9.749 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.068 5.761 -3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.919 9.781 -0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.910 5.785 -1.978 1.00 0.00 H new ATOM 0 HH TYR A 3 13.286 7.277 -0.765 1.00 0.00 H new ATOM 49 N PHE A 4 7.217 7.578 -6.944 1.00 0.00 N ATOM 50 CA PHE A 4 6.187 7.132 -7.865 1.00 0.00 C ATOM 51 C PHE A 4 5.323 6.100 -7.159 1.00 0.00 C ATOM 52 O PHE A 4 5.762 5.507 -6.195 1.00 0.00 O ATOM 53 CB PHE A 4 6.824 6.519 -9.121 1.00 0.00 C ATOM 54 CG PHE A 4 7.645 7.492 -9.920 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.033 8.501 -10.644 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.027 7.394 -9.950 1.00 0.00 C ATOM 57 CE1 PHE A 4 7.783 9.398 -11.379 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.782 8.287 -10.685 1.00 0.00 C ATOM 59 CZ PHE A 4 9.159 9.290 -11.400 1.00 0.00 C ATOM 0 H PHE A 4 8.081 7.038 -6.993 1.00 0.00 H new ATOM 0 HA PHE A 4 5.576 7.980 -8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.456 5.682 -8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.036 6.115 -9.756 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.957 8.588 -10.634 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.519 6.611 -9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.294 10.183 -11.937 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.858 8.201 -10.700 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.747 9.989 -11.975 1.00 0.00 H new ATOM 69 N LEU A 5 4.108 5.910 -7.602 1.00 0.00 N ATOM 70 CA LEU A 5 3.218 4.941 -6.976 1.00 0.00 C ATOM 71 C LEU A 5 2.693 3.977 -8.051 1.00 0.00 C ATOM 72 O LEU A 5 2.216 4.425 -9.105 1.00 0.00 O ATOM 73 CB LEU A 5 2.042 5.707 -6.301 1.00 0.00 C ATOM 74 CG LEU A 5 1.180 4.991 -5.219 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.453 3.767 -5.732 1.00 0.00 C ATOM 76 CD2 LEU A 5 2.008 4.644 -4.004 1.00 0.00 C ATOM 0 H LEU A 5 3.703 6.409 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 5 3.748 4.364 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.457 6.606 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.367 6.033 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 5 0.410 5.709 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.126 3.322 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.217 4.055 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.178 3.041 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.380 4.145 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.822 3.980 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.421 5.556 -3.572 1.00 0.00 H new ATOM 88 N ASP A 6 2.786 2.683 -7.798 1.00 0.00 N ATOM 89 CA ASP A 6 2.229 1.666 -8.705 1.00 0.00 C ATOM 90 C ASP A 6 1.587 0.570 -7.865 1.00 0.00 C ATOM 91 O ASP A 6 1.909 0.428 -6.679 1.00 0.00 O ATOM 92 CB ASP A 6 3.309 1.080 -9.648 1.00 0.00 C ATOM 93 CG ASP A 6 2.741 0.141 -10.721 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.917 0.583 -11.547 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.092 -1.040 -10.748 1.00 0.00 O ATOM 0 H ASP A 6 3.242 2.300 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 6 1.480 2.132 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.837 1.899 -10.136 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.043 0.537 -9.053 1.00 0.00 H new ATOM 100 N PHE A 7 0.682 -0.169 -8.446 1.00 0.00 N ATOM 101 CA PHE A 7 -0.047 -1.211 -7.738 1.00 0.00 C ATOM 102 C PHE A 7 0.222 -2.552 -8.384 1.00 0.00 C ATOM 103 O PHE A 7 0.177 -2.675 -9.624 1.00 0.00 O ATOM 104 CB PHE A 7 -1.567 -0.977 -7.805 1.00 0.00 C ATOM 105 CG PHE A 7 -2.078 0.322 -7.250 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.107 1.460 -8.037 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.558 0.395 -5.961 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.603 2.645 -7.549 1.00 0.00 C ATOM 109 CE2 PHE A 7 -3.052 1.579 -5.462 1.00 0.00 C ATOM 110 CZ PHE A 7 -3.074 2.707 -6.257 1.00 0.00 C ATOM 0 H PHE A 7 0.421 -0.073 -9.427 1.00 0.00 H new ATOM 0 HA PHE A 7 0.288 -1.191 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.875 -1.045 -8.848 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.060 -1.791 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.734 1.416 -9.050 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.547 -0.485 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.623 3.524 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.422 1.625 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.460 3.637 -5.866 1.00 0.00 H new ATOM 120 N ASP A 8 0.503 -3.537 -7.572 1.00 0.00 N ATOM 121 CA ASP A 8 0.660 -4.913 -8.027 1.00 0.00 C ATOM 122 C ASP A 8 -0.656 -5.460 -8.478 1.00 0.00 C ATOM 123 O ASP A 8 -1.701 -4.976 -8.057 1.00 0.00 O ATOM 124 CB ASP A 8 1.227 -5.818 -6.945 1.00 0.00 C ATOM 125 CG ASP A 8 2.694 -5.628 -6.740 1.00 0.00 C ATOM 126 OD1 ASP A 8 3.486 -6.246 -7.488 1.00 0.00 O ATOM 127 OD2 ASP A 8 3.094 -4.902 -5.821 1.00 0.00 O ATOM 0 H ASP A 8 0.632 -3.417 -6.567 1.00 0.00 H new ATOM 0 HA ASP A 8 1.367 -4.893 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.706 -5.625 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.034 -6.858 -7.209 1.00 0.00 H new ATOM 132 N GLU A 9 -0.615 -6.454 -9.338 1.00 0.00 N ATOM 133 CA GLU A 9 -1.821 -7.091 -9.861 1.00 0.00 C ATOM 134 C GLU A 9 -2.700 -7.621 -8.714 1.00 0.00 C ATOM 135 O GLU A 9 -3.924 -7.519 -8.765 1.00 0.00 O ATOM 136 CB GLU A 9 -1.491 -8.225 -10.879 1.00 0.00 C ATOM 137 CG GLU A 9 -0.763 -9.469 -10.324 1.00 0.00 C ATOM 138 CD GLU A 9 0.621 -9.188 -9.782 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.740 -8.813 -8.609 1.00 0.00 O ATOM 140 OE2 GLU A 9 1.606 -9.326 -10.534 1.00 0.00 O ATOM 0 H GLU A 9 0.253 -6.850 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.381 -6.328 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.424 -8.553 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.879 -7.800 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.369 -9.907 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.686 -10.214 -11.116 1.00 0.00 H new ATOM 147 N ARG A 10 -2.047 -8.131 -7.666 1.00 0.00 N ATOM 148 CA ARG A 10 -2.729 -8.643 -6.471 1.00 0.00 C ATOM 149 C ARG A 10 -3.544 -7.500 -5.844 1.00 0.00 C ATOM 150 O ARG A 10 -4.762 -7.631 -5.582 1.00 0.00 O ATOM 151 CB ARG A 10 -1.677 -9.136 -5.450 1.00 0.00 C ATOM 152 CG ARG A 10 -0.603 -10.027 -6.055 1.00 0.00 C ATOM 153 CD ARG A 10 0.470 -10.419 -5.051 1.00 0.00 C ATOM 154 NE ARG A 10 1.657 -10.968 -5.734 1.00 0.00 N ATOM 155 CZ ARG A 10 2.415 -12.000 -5.318 1.00 0.00 C ATOM 156 NH1 ARG A 10 2.092 -12.680 -4.219 1.00 0.00 N ATOM 157 NH2 ARG A 10 3.494 -12.357 -6.032 1.00 0.00 N ATOM 0 H ARG A 10 -1.030 -8.201 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.386 -9.469 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.200 -8.272 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.184 -9.683 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.067 -10.929 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.138 -9.510 -6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.756 -9.549 -4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.071 -11.158 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 10 1.931 -10.521 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.263 -12.420 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.673 -13.460 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.734 -11.848 -6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.074 -13.138 -5.724 1.00 0.00 H new ATOM 171 N ALA A 11 -2.877 -6.369 -5.681 1.00 0.00 N ATOM 172 CA ALA A 11 -3.458 -5.170 -5.118 1.00 0.00 C ATOM 173 C ALA A 11 -4.508 -4.572 -6.028 1.00 0.00 C ATOM 174 O ALA A 11 -5.485 -4.053 -5.557 1.00 0.00 O ATOM 175 CB ALA A 11 -2.391 -4.142 -4.824 1.00 0.00 C ATOM 0 H ALA A 11 -1.897 -6.261 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.943 -5.459 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.852 -3.249 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.676 -4.553 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.873 -3.881 -5.747 1.00 0.00 H new ATOM 181 N LEU A 12 -4.308 -4.675 -7.340 1.00 0.00 N ATOM 182 CA LEU A 12 -5.234 -4.110 -8.312 1.00 0.00 C ATOM 183 C LEU A 12 -6.568 -4.778 -8.223 1.00 0.00 C ATOM 184 O LEU A 12 -7.607 -4.129 -8.308 1.00 0.00 O ATOM 185 CB LEU A 12 -4.684 -4.204 -9.734 1.00 0.00 C ATOM 186 CG LEU A 12 -3.607 -3.187 -10.122 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.056 -3.505 -11.502 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.192 -1.774 -10.109 1.00 0.00 C ATOM 0 H LEU A 12 -3.505 -5.149 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.356 -3.054 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.275 -5.204 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.517 -4.100 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.795 -3.244 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.291 -2.774 -11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.618 -4.503 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.863 -3.466 -12.234 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.419 -1.058 -10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.014 -1.714 -10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.560 -1.542 -9.110 1.00 0.00 H new ATOM 200 N LYS A 13 -6.532 -6.061 -8.009 1.00 0.00 N ATOM 201 CA LYS A 13 -7.720 -6.842 -7.855 1.00 0.00 C ATOM 202 C LYS A 13 -8.463 -6.424 -6.603 1.00 0.00 C ATOM 203 O LYS A 13 -9.681 -6.246 -6.632 1.00 0.00 O ATOM 204 CB LYS A 13 -7.355 -8.297 -7.807 1.00 0.00 C ATOM 205 CG LYS A 13 -6.763 -8.794 -9.100 1.00 0.00 C ATOM 206 CD LYS A 13 -6.194 -10.166 -8.931 1.00 0.00 C ATOM 207 CE LYS A 13 -5.655 -10.699 -10.236 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.231 -12.100 -10.111 1.00 0.00 N ATOM 0 H LYS A 13 -5.668 -6.598 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.381 -6.675 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.642 -8.461 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.244 -8.882 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.529 -8.806 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.983 -8.110 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.397 -10.143 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.964 -10.838 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.420 -10.617 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.811 -10.090 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.866 -12.435 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.483 -12.174 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.043 -12.684 -9.827 1.00 0.00 H new ATOM 222 N GLU A 14 -7.727 -6.224 -5.518 1.00 0.00 N ATOM 223 CA GLU A 14 -8.332 -5.777 -4.274 1.00 0.00 C ATOM 224 C GLU A 14 -8.824 -4.326 -4.386 1.00 0.00 C ATOM 225 O GLU A 14 -9.844 -3.974 -3.854 1.00 0.00 O ATOM 226 CB GLU A 14 -7.399 -5.956 -3.082 1.00 0.00 C ATOM 227 CG GLU A 14 -6.914 -7.376 -2.906 1.00 0.00 C ATOM 228 CD GLU A 14 -6.327 -7.657 -1.545 1.00 0.00 C ATOM 229 OE1 GLU A 14 -5.258 -7.122 -1.203 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.940 -8.464 -0.795 1.00 0.00 O ATOM 0 H GLU A 14 -6.717 -6.363 -5.475 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.199 -6.413 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.538 -5.298 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.916 -5.642 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.746 -8.058 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.163 -7.590 -3.666 1.00 0.00 H new ATOM 237 N TRP A 15 -8.088 -3.515 -5.100 1.00 0.00 N ATOM 238 CA TRP A 15 -8.416 -2.106 -5.340 1.00 0.00 C ATOM 239 C TRP A 15 -9.725 -2.003 -6.156 1.00 0.00 C ATOM 240 O TRP A 15 -10.555 -1.111 -5.936 1.00 0.00 O ATOM 241 CB TRP A 15 -7.230 -1.477 -6.097 1.00 0.00 C ATOM 242 CG TRP A 15 -7.274 -0.001 -6.321 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.643 0.648 -7.463 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.892 1.013 -5.386 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.517 2.006 -7.289 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.059 2.254 -6.023 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.428 0.988 -4.065 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.776 3.461 -5.389 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.149 2.185 -3.441 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.322 3.404 -4.101 1.00 0.00 C ATOM 0 H TRP A 15 -7.220 -3.809 -5.548 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.577 -1.573 -4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.317 -1.709 -5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.151 -1.965 -7.069 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.983 0.167 -8.368 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.731 2.715 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.292 0.051 -3.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.910 4.406 -5.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.790 2.180 -2.422 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.092 4.322 -3.582 1.00 0.00 H new ATOM 261 N ARG A 16 -9.890 -2.913 -7.108 1.00 0.00 N ATOM 262 CA ARG A 16 -11.123 -3.005 -7.894 1.00 0.00 C ATOM 263 C ARG A 16 -12.238 -3.630 -7.064 1.00 0.00 C ATOM 264 O ARG A 16 -13.417 -3.419 -7.325 1.00 0.00 O ATOM 265 CB ARG A 16 -10.914 -3.821 -9.166 1.00 0.00 C ATOM 266 CG ARG A 16 -9.965 -3.198 -10.169 1.00 0.00 C ATOM 267 CD ARG A 16 -9.758 -4.111 -11.365 1.00 0.00 C ATOM 268 NE ARG A 16 -11.002 -4.348 -12.117 1.00 0.00 N ATOM 269 CZ ARG A 16 -11.115 -5.154 -13.189 1.00 0.00 C ATOM 270 NH1 ARG A 16 -10.069 -5.869 -13.605 1.00 0.00 N ATOM 271 NH2 ARG A 16 -12.284 -5.259 -13.822 1.00 0.00 N ATOM 0 H ARG A 16 -9.183 -3.604 -7.359 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.407 -1.992 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.536 -4.806 -8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.880 -3.973 -9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.362 -2.240 -10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.006 -2.997 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.014 -3.671 -12.029 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.356 -5.065 -11.024 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.843 -3.864 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.179 -5.806 -13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.159 -6.479 -14.418 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.091 -4.729 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.371 -5.869 -14.635 1.00 0.00 H new ATOM 285 N LYS A 17 -11.847 -4.429 -6.104 1.00 0.00 N ATOM 286 CA LYS A 17 -12.755 -5.079 -5.173 1.00 0.00 C ATOM 287 C LYS A 17 -13.301 -4.041 -4.203 1.00 0.00 C ATOM 288 O LYS A 17 -14.483 -4.053 -3.853 1.00 0.00 O ATOM 289 CB LYS A 17 -11.972 -6.154 -4.422 1.00 0.00 C ATOM 290 CG LYS A 17 -12.712 -6.906 -3.348 1.00 0.00 C ATOM 291 CD LYS A 17 -11.775 -7.898 -2.679 1.00 0.00 C ATOM 292 CE LYS A 17 -12.467 -8.666 -1.583 1.00 0.00 C ATOM 293 NZ LYS A 17 -12.853 -7.811 -0.455 1.00 0.00 N ATOM 0 H LYS A 17 -10.866 -4.656 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.593 -5.537 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.603 -6.876 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.099 -5.684 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.107 -6.209 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.565 -7.430 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.390 -8.594 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.918 -7.367 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.355 -9.150 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.808 -9.457 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.153 -8.405 0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.041 -7.228 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.639 -7.193 -0.741 1.00 0.00 H new ATOM 307 N LEU A 18 -12.424 -3.153 -3.793 1.00 0.00 N ATOM 308 CA LEU A 18 -12.740 -2.072 -2.904 1.00 0.00 C ATOM 309 C LEU A 18 -13.715 -1.112 -3.527 1.00 0.00 C ATOM 310 O LEU A 18 -13.758 -0.942 -4.758 1.00 0.00 O ATOM 311 CB LEU A 18 -11.477 -1.306 -2.521 1.00 0.00 C ATOM 312 CG LEU A 18 -10.924 -1.540 -1.123 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.615 -2.998 -0.870 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.702 -0.687 -0.910 1.00 0.00 C ATOM 0 H LEU A 18 -11.445 -3.168 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.193 -2.511 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.697 -1.557 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.681 -0.241 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.692 -1.253 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.223 -3.117 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.526 -3.587 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.873 -3.343 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.309 -0.858 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.943 -0.949 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.968 0.364 -1.021 1.00 0.00 H new ATOM 326 N GLY A 19 -14.479 -0.481 -2.684 1.00 0.00 N ATOM 327 CA GLY A 19 -15.416 0.501 -3.121 1.00 0.00 C ATOM 328 C GLY A 19 -14.694 1.747 -3.533 1.00 0.00 C ATOM 329 O GLY A 19 -13.642 2.068 -2.955 1.00 0.00 O ATOM 0 H GLY A 19 -14.467 -0.635 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.998 0.114 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.120 0.726 -2.320 1.00 0.00 H new ATOM 333 N SER A 20 -15.240 2.443 -4.506 1.00 0.00 N ATOM 334 CA SER A 20 -14.658 3.641 -5.068 1.00 0.00 C ATOM 335 C SER A 20 -14.280 4.658 -3.986 1.00 0.00 C ATOM 336 O SER A 20 -13.157 5.091 -3.926 1.00 0.00 O ATOM 337 CB SER A 20 -15.640 4.249 -6.060 1.00 0.00 C ATOM 338 OG SER A 20 -16.011 3.285 -7.047 1.00 0.00 O ATOM 0 H SER A 20 -16.126 2.183 -4.940 1.00 0.00 H new ATOM 0 HA SER A 20 -13.734 3.371 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.528 4.601 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.190 5.117 -6.541 1.00 0.00 H new ATOM 0 HG SER A 20 -16.644 3.689 -7.677 1.00 0.00 H new ATOM 344 N THR A 21 -15.199 4.943 -3.100 1.00 0.00 N ATOM 345 CA THR A 21 -15.006 5.937 -2.053 1.00 0.00 C ATOM 346 C THR A 21 -13.877 5.514 -1.098 1.00 0.00 C ATOM 347 O THR A 21 -13.042 6.324 -0.699 1.00 0.00 O ATOM 348 CB THR A 21 -16.326 6.117 -1.279 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.379 6.368 -2.231 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.255 7.283 -0.306 1.00 0.00 C ATOM 0 H THR A 21 -16.114 4.493 -3.077 1.00 0.00 H new ATOM 0 HA THR A 21 -14.718 6.884 -2.509 1.00 0.00 H new ATOM 0 HB THR A 21 -16.516 5.211 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.228 6.484 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.205 7.376 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.457 7.107 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.052 8.203 -0.855 1.00 0.00 H new ATOM 358 N VAL A 22 -13.823 4.227 -0.813 1.00 0.00 N ATOM 359 CA VAL A 22 -12.833 3.679 0.086 1.00 0.00 C ATOM 360 C VAL A 22 -11.455 3.807 -0.542 1.00 0.00 C ATOM 361 O VAL A 22 -10.504 4.296 0.082 1.00 0.00 O ATOM 362 CB VAL A 22 -13.132 2.185 0.377 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.056 1.573 1.250 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.498 2.027 1.030 1.00 0.00 C ATOM 0 H VAL A 22 -14.465 3.535 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.865 4.232 1.025 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.139 1.655 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.292 0.525 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.093 1.643 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.008 2.109 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.688 0.972 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.518 2.580 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.267 2.417 0.363 1.00 0.00 H new ATOM 374 N ARG A 23 -11.366 3.417 -1.788 1.00 0.00 N ATOM 375 CA ARG A 23 -10.128 3.490 -2.495 1.00 0.00 C ATOM 376 C ARG A 23 -9.697 4.940 -2.761 1.00 0.00 C ATOM 377 O ARG A 23 -8.522 5.224 -2.765 1.00 0.00 O ATOM 378 CB ARG A 23 -10.098 2.627 -3.751 1.00 0.00 C ATOM 379 CG ARG A 23 -11.148 2.954 -4.759 1.00 0.00 C ATOM 380 CD ARG A 23 -10.835 2.298 -6.067 1.00 0.00 C ATOM 381 NE ARG A 23 -11.826 2.616 -7.088 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.552 1.715 -7.759 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.434 0.408 -7.495 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.404 2.126 -8.682 1.00 0.00 N ATOM 0 H ARG A 23 -12.145 3.044 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.379 3.058 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.119 2.727 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.206 1.582 -3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.122 2.620 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.210 4.034 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.850 2.617 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.790 1.218 -5.929 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.977 3.601 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.785 0.090 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.993 -0.270 -8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.503 3.122 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.962 1.447 -9.199 1.00 0.00 H new ATOM 398 N GLU A 24 -10.653 5.847 -3.005 1.00 0.00 N ATOM 399 CA GLU A 24 -10.339 7.272 -3.216 1.00 0.00 C ATOM 400 C GLU A 24 -9.594 7.855 -2.028 1.00 0.00 C ATOM 401 O GLU A 24 -8.618 8.586 -2.204 1.00 0.00 O ATOM 402 CB GLU A 24 -11.589 8.100 -3.496 1.00 0.00 C ATOM 403 CG GLU A 24 -12.277 7.749 -4.790 1.00 0.00 C ATOM 404 CD GLU A 24 -13.490 8.584 -5.055 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.315 8.785 -4.143 1.00 0.00 O ATOM 406 OE2 GLU A 24 -13.643 9.078 -6.189 1.00 0.00 O ATOM 0 H GLU A 24 -11.647 5.623 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.697 7.319 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.293 7.967 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.317 9.155 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.573 7.870 -5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.564 6.698 -4.768 1.00 0.00 H new ATOM 413 N GLN A 25 -10.030 7.506 -0.831 1.00 0.00 N ATOM 414 CA GLN A 25 -9.364 7.972 0.384 1.00 0.00 C ATOM 415 C GLN A 25 -7.969 7.394 0.497 1.00 0.00 C ATOM 416 O GLN A 25 -7.027 8.091 0.883 1.00 0.00 O ATOM 417 CB GLN A 25 -10.186 7.671 1.636 1.00 0.00 C ATOM 418 CG GLN A 25 -11.108 8.804 2.077 1.00 0.00 C ATOM 419 CD GLN A 25 -12.055 9.294 1.000 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.733 10.211 0.242 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.212 8.714 0.927 1.00 0.00 N ATOM 0 H GLN A 25 -10.838 6.905 -0.669 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.277 9.056 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.787 6.780 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.505 7.435 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.693 8.468 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.498 9.641 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.445 7.958 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.889 9.014 0.226 1.00 0.00 H new ATOM 430 N LEU A 26 -7.833 6.140 0.128 1.00 0.00 N ATOM 431 CA LEU A 26 -6.540 5.484 0.138 1.00 0.00 C ATOM 432 C LEU A 26 -5.621 6.109 -0.902 1.00 0.00 C ATOM 433 O LEU A 26 -4.444 6.333 -0.642 1.00 0.00 O ATOM 434 CB LEU A 26 -6.698 3.990 -0.099 1.00 0.00 C ATOM 435 CG LEU A 26 -7.445 3.218 0.997 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.592 1.769 0.617 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.724 3.338 2.337 1.00 0.00 C ATOM 0 H LEU A 26 -8.604 5.550 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.086 5.622 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.223 3.844 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.707 3.552 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.437 3.657 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.124 1.238 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.153 1.692 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.605 1.326 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.273 2.782 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.717 2.930 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.666 4.387 2.626 1.00 0.00 H new ATOM 449 N LYS A 27 -6.181 6.409 -2.068 1.00 0.00 N ATOM 450 CA LYS A 27 -5.469 7.089 -3.142 1.00 0.00 C ATOM 451 C LYS A 27 -4.904 8.424 -2.646 1.00 0.00 C ATOM 452 O LYS A 27 -3.750 8.738 -2.899 1.00 0.00 O ATOM 453 CB LYS A 27 -6.418 7.374 -4.304 1.00 0.00 C ATOM 454 CG LYS A 27 -5.766 8.121 -5.462 1.00 0.00 C ATOM 455 CD LYS A 27 -6.791 8.747 -6.403 1.00 0.00 C ATOM 456 CE LYS A 27 -7.597 9.840 -5.696 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.486 10.560 -6.620 1.00 0.00 N ATOM 0 H LYS A 27 -7.150 6.185 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.657 6.441 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.819 6.430 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.262 7.958 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.116 8.901 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.134 7.434 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.283 9.170 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.466 7.976 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.190 9.393 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.913 10.547 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.012 11.290 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.919 11.009 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.157 9.891 -7.049 1.00 0.00 H new ATOM 471 N LYS A 28 -5.725 9.176 -1.910 1.00 0.00 N ATOM 472 CA LYS A 28 -5.317 10.476 -1.349 1.00 0.00 C ATOM 473 C LYS A 28 -4.148 10.297 -0.416 1.00 0.00 C ATOM 474 O LYS A 28 -3.203 11.089 -0.415 1.00 0.00 O ATOM 475 CB LYS A 28 -6.470 11.130 -0.594 1.00 0.00 C ATOM 476 CG LYS A 28 -7.648 11.514 -1.458 1.00 0.00 C ATOM 477 CD LYS A 28 -8.796 12.008 -0.606 1.00 0.00 C ATOM 478 CE LYS A 28 -9.982 12.397 -1.456 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.158 12.719 -0.633 1.00 0.00 N ATOM 0 H LYS A 28 -6.683 8.909 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.027 11.122 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.813 10.446 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.098 12.023 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.351 12.291 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.969 10.655 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.090 11.230 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.471 12.865 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.722 13.258 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.226 11.581 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.902 13.126 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.513 11.852 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.891 13.407 0.100 1.00 0.00 H new ATOM 493 N LYS A 29 -4.201 9.225 0.351 1.00 0.00 N ATOM 494 CA LYS A 29 -3.141 8.890 1.265 1.00 0.00 C ATOM 495 C LYS A 29 -1.870 8.557 0.553 1.00 0.00 C ATOM 496 O LYS A 29 -0.799 8.916 1.005 1.00 0.00 O ATOM 497 CB LYS A 29 -3.528 7.785 2.227 1.00 0.00 C ATOM 498 CG LYS A 29 -4.053 8.281 3.559 1.00 0.00 C ATOM 499 CD LYS A 29 -5.285 9.127 3.418 1.00 0.00 C ATOM 500 CE LYS A 29 -5.696 9.676 4.753 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.663 10.576 5.321 1.00 0.00 N ATOM 0 H LYS A 29 -4.981 8.567 0.354 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.965 9.787 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.288 7.160 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.659 7.151 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.275 7.426 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.276 8.859 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.095 9.945 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.096 8.533 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.635 10.220 4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.880 8.853 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.074 11.128 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.868 10.009 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.322 11.223 4.582 1.00 0.00 H new ATOM 515 N LEU A 30 -1.992 7.898 -0.558 1.00 0.00 N ATOM 516 CA LEU A 30 -0.851 7.560 -1.359 1.00 0.00 C ATOM 517 C LEU A 30 -0.229 8.824 -1.915 1.00 0.00 C ATOM 518 O LEU A 30 0.975 8.989 -1.892 1.00 0.00 O ATOM 519 CB LEU A 30 -1.259 6.624 -2.488 1.00 0.00 C ATOM 520 CG LEU A 30 -1.901 5.311 -2.048 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.334 4.502 -3.246 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.953 4.512 -1.167 1.00 0.00 C ATOM 0 H LEU A 30 -2.884 7.578 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.116 7.047 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.957 7.150 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.376 6.395 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.787 5.547 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.789 3.570 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.060 5.072 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.467 4.279 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.433 3.581 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.042 4.288 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.703 5.094 -0.280 1.00 0.00 H new ATOM 534 N VAL A 31 -1.077 9.738 -2.349 1.00 0.00 N ATOM 535 CA VAL A 31 -0.634 10.995 -2.925 1.00 0.00 C ATOM 536 C VAL A 31 0.093 11.861 -1.878 1.00 0.00 C ATOM 537 O VAL A 31 1.174 12.412 -2.162 1.00 0.00 O ATOM 538 CB VAL A 31 -1.828 11.786 -3.541 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.383 13.116 -4.113 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.509 10.968 -4.618 1.00 0.00 C ATOM 0 H VAL A 31 -2.091 9.631 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 31 0.069 10.756 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.536 11.983 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.243 13.638 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.941 13.723 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.644 12.946 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.340 11.537 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.793 10.738 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.885 10.040 -4.187 1.00 0.00 H new ATOM 550 N GLU A 32 -0.473 11.955 -0.670 1.00 0.00 N ATOM 551 CA GLU A 32 0.164 12.723 0.389 1.00 0.00 C ATOM 552 C GLU A 32 1.454 12.041 0.861 1.00 0.00 C ATOM 553 O GLU A 32 2.509 12.683 0.958 1.00 0.00 O ATOM 554 CB GLU A 32 -0.786 13.015 1.588 1.00 0.00 C ATOM 555 CG GLU A 32 -1.343 11.781 2.270 1.00 0.00 C ATOM 556 CD GLU A 32 -2.087 12.056 3.561 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.437 12.125 4.630 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.338 12.164 3.551 1.00 0.00 O ATOM 0 H GLU A 32 -1.356 11.515 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 32 0.419 13.691 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.246 13.609 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.618 13.625 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.016 11.273 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.522 11.095 2.478 1.00 0.00 H new ATOM 565 N VAL A 33 1.384 10.726 1.042 1.00 0.00 N ATOM 566 CA VAL A 33 2.468 9.950 1.608 1.00 0.00 C ATOM 567 C VAL A 33 3.722 9.997 0.745 1.00 0.00 C ATOM 568 O VAL A 33 4.789 9.915 1.253 1.00 0.00 O ATOM 569 CB VAL A 33 2.076 8.479 1.960 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.204 7.514 0.780 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.830 7.994 3.187 1.00 0.00 C ATOM 0 H VAL A 33 0.565 10.170 0.796 1.00 0.00 H new ATOM 0 HA VAL A 33 2.696 10.436 2.557 1.00 0.00 H new ATOM 0 HB VAL A 33 1.013 8.490 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.916 6.512 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.551 7.840 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.236 7.501 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.539 6.968 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.902 8.033 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.590 8.633 4.037 1.00 0.00 H new ATOM 581 N LEU A 34 3.564 10.146 -0.563 1.00 0.00 N ATOM 582 CA LEU A 34 4.686 10.143 -1.512 1.00 0.00 C ATOM 583 C LEU A 34 5.800 11.147 -1.174 1.00 0.00 C ATOM 584 O LEU A 34 6.945 10.935 -1.581 1.00 0.00 O ATOM 585 CB LEU A 34 4.205 10.345 -2.954 1.00 0.00 C ATOM 586 CG LEU A 34 3.386 9.204 -3.560 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.909 9.564 -4.954 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.191 7.913 -3.588 1.00 0.00 C ATOM 0 H LEU A 34 2.653 10.273 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 34 5.130 9.152 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.605 11.254 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.077 10.513 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 34 2.511 9.047 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.329 8.738 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.285 10.457 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.770 9.757 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.587 7.117 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.089 8.057 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.475 7.639 -2.572 1.00 0.00 H new ATOM 600 N GLU A 35 5.481 12.231 -0.455 1.00 0.00 N ATOM 601 CA GLU A 35 6.523 13.195 -0.068 1.00 0.00 C ATOM 602 C GLU A 35 7.444 12.600 1.013 1.00 0.00 C ATOM 603 O GLU A 35 8.619 12.966 1.127 1.00 0.00 O ATOM 604 CB GLU A 35 5.922 14.524 0.412 1.00 0.00 C ATOM 605 CG GLU A 35 5.029 14.416 1.636 1.00 0.00 C ATOM 606 CD GLU A 35 4.483 15.745 2.062 1.00 0.00 C ATOM 607 OE1 GLU A 35 3.532 16.240 1.421 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.985 16.326 3.055 1.00 0.00 O ATOM 0 H GLU A 35 4.539 12.460 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 35 7.117 13.404 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.735 15.215 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.345 14.961 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.203 13.738 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.595 13.978 2.458 1.00 0.00 H new ATOM 615 N SER A 36 6.905 11.692 1.797 1.00 0.00 N ATOM 616 CA SER A 36 7.627 11.015 2.848 1.00 0.00 C ATOM 617 C SER A 36 6.997 9.634 3.084 1.00 0.00 C ATOM 618 O SER A 36 6.254 9.445 4.019 1.00 0.00 O ATOM 619 CB SER A 36 7.618 11.848 4.144 1.00 0.00 C ATOM 620 OG SER A 36 8.192 13.149 3.935 1.00 0.00 O ATOM 0 H SER A 36 5.931 11.399 1.718 1.00 0.00 H new ATOM 0 HA SER A 36 8.667 10.889 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.594 11.954 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.175 11.323 4.920 1.00 0.00 H new ATOM 0 HG SER A 36 8.171 13.655 4.774 1.00 0.00 H new ATOM 626 N PRO A 37 7.221 8.668 2.167 1.00 0.00 N ATOM 627 CA PRO A 37 6.605 7.341 2.268 1.00 0.00 C ATOM 628 C PRO A 37 7.246 6.482 3.334 1.00 0.00 C ATOM 629 O PRO A 37 6.689 5.469 3.748 1.00 0.00 O ATOM 630 CB PRO A 37 6.829 6.740 0.881 1.00 0.00 C ATOM 631 CG PRO A 37 8.055 7.410 0.383 1.00 0.00 C ATOM 632 CD PRO A 37 8.021 8.808 0.938 1.00 0.00 C ATOM 0 HA PRO A 37 5.555 7.401 2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.960 5.659 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.979 6.927 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.949 6.881 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.076 7.424 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.023 9.180 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.563 9.507 0.238 1.00 0.00 H new ATOM 640 N ARG A 38 8.389 6.919 3.805 1.00 0.00 N ATOM 641 CA ARG A 38 9.153 6.193 4.781 1.00 0.00 C ATOM 642 C ARG A 38 8.735 6.528 6.219 1.00 0.00 C ATOM 643 O ARG A 38 9.541 6.552 7.124 1.00 0.00 O ATOM 644 CB ARG A 38 10.678 6.354 4.507 1.00 0.00 C ATOM 645 CG ARG A 38 11.252 7.789 4.405 1.00 0.00 C ATOM 646 CD ARG A 38 11.403 8.478 5.760 1.00 0.00 C ATOM 647 NE ARG A 38 12.188 7.653 6.703 1.00 0.00 N ATOM 648 CZ ARG A 38 12.141 7.756 8.046 1.00 0.00 C ATOM 649 NH1 ARG A 38 11.520 8.790 8.627 1.00 0.00 N ATOM 650 NH2 ARG A 38 12.738 6.835 8.801 1.00 0.00 N ATOM 0 H ARG A 38 8.816 7.799 3.516 1.00 0.00 H new ATOM 0 HA ARG A 38 8.929 5.131 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.216 5.835 5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.906 5.836 3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.225 7.750 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.600 8.389 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.891 9.443 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.417 8.675 6.181 1.00 0.00 H new ATOM 0 HE ARG A 38 12.814 6.952 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.078 9.508 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.489 8.860 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.228 6.056 8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.705 6.909 9.818 1.00 0.00 H new ATOM 664 N ILE A 39 7.452 6.641 6.441 1.00 0.00 N ATOM 665 CA ILE A 39 6.962 6.979 7.756 1.00 0.00 C ATOM 666 C ILE A 39 6.956 5.722 8.601 1.00 0.00 C ATOM 667 O ILE A 39 6.069 4.875 8.497 1.00 0.00 O ATOM 668 CB ILE A 39 5.549 7.637 7.702 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.647 8.968 6.952 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.986 7.854 9.108 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.326 9.659 6.694 1.00 0.00 C ATOM 0 H ILE A 39 6.729 6.505 5.734 1.00 0.00 H new ATOM 0 HA ILE A 39 7.622 7.722 8.204 1.00 0.00 H new ATOM 0 HB ILE A 39 4.867 6.969 7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.286 9.642 7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.140 8.793 5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.000 8.314 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.903 6.895 9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.653 8.508 9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.502 10.592 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.687 9.011 6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.836 9.873 7.644 1.00 0.00 H new ATOM 683 N GLU A 40 8.006 5.612 9.397 1.00 0.00 N ATOM 684 CA GLU A 40 8.321 4.463 10.237 1.00 0.00 C ATOM 685 C GLU A 40 7.207 4.068 11.205 1.00 0.00 C ATOM 686 O GLU A 40 7.161 2.938 11.664 1.00 0.00 O ATOM 687 CB GLU A 40 9.675 4.674 10.934 1.00 0.00 C ATOM 688 CG GLU A 40 9.822 6.024 11.624 1.00 0.00 C ATOM 689 CD GLU A 40 11.209 6.252 12.166 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.110 6.657 11.394 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.437 6.032 13.363 1.00 0.00 O ATOM 0 H GLU A 40 8.698 6.357 9.481 1.00 0.00 H new ATOM 0 HA GLU A 40 8.405 3.600 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.817 3.885 11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.470 4.568 10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.578 6.817 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.102 6.091 12.440 1.00 0.00 H new ATOM 698 N ALA A 41 6.292 4.979 11.470 1.00 0.00 N ATOM 699 CA ALA A 41 5.135 4.683 12.315 1.00 0.00 C ATOM 700 C ALA A 41 4.204 3.700 11.599 1.00 0.00 C ATOM 701 O ALA A 41 3.488 2.909 12.228 1.00 0.00 O ATOM 702 CB ALA A 41 4.392 5.965 12.663 1.00 0.00 C ATOM 0 H ALA A 41 6.321 5.935 11.115 1.00 0.00 H new ATOM 0 HA ALA A 41 5.481 4.226 13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.534 5.729 13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.060 6.639 13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.049 6.447 11.747 1.00 0.00 H new ATOM 708 N ASN A 42 4.269 3.717 10.281 1.00 0.00 N ATOM 709 CA ASN A 42 3.436 2.878 9.433 1.00 0.00 C ATOM 710 C ASN A 42 4.192 1.653 8.983 1.00 0.00 C ATOM 711 O ASN A 42 3.636 0.808 8.296 1.00 0.00 O ATOM 712 CB ASN A 42 2.981 3.640 8.179 1.00 0.00 C ATOM 713 CG ASN A 42 2.078 4.819 8.457 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.330 4.842 9.437 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.126 5.799 7.592 1.00 0.00 N ATOM 0 H ASN A 42 4.908 4.319 9.761 1.00 0.00 H new ATOM 0 HA ASN A 42 2.569 2.588 10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.862 3.992 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.461 2.948 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.531 6.618 7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.758 5.744 6.793 1.00 0.00 H new ATOM 722 N LYS A 43 5.452 1.539 9.372 1.00 0.00 N ATOM 723 CA LYS A 43 6.264 0.474 8.947 1.00 0.00 C ATOM 724 C LYS A 43 5.842 -0.822 9.617 1.00 0.00 C ATOM 725 O LYS A 43 5.442 -0.838 10.794 1.00 0.00 O ATOM 726 CB LYS A 43 7.724 0.816 9.216 1.00 0.00 C ATOM 727 CG LYS A 43 8.666 -0.190 8.673 1.00 0.00 C ATOM 728 CD LYS A 43 10.115 0.266 8.753 1.00 0.00 C ATOM 729 CE LYS A 43 11.057 -0.792 8.180 1.00 0.00 C ATOM 730 NZ LYS A 43 12.465 -0.348 8.181 1.00 0.00 N ATOM 0 H LYS A 43 5.917 2.200 9.995 1.00 0.00 H new ATOM 0 HA LYS A 43 6.144 0.323 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.949 1.789 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.878 0.906 10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.552 -1.124 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.411 -0.398 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.236 1.200 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.379 0.469 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.967 -1.709 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.754 -1.031 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.066 -1.098 7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.558 0.512 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.764 -0.145 9.156 1.00 0.00 H new ATOM 744 N LEU A 44 5.900 -1.885 8.862 1.00 0.00 N ATOM 745 CA LEU A 44 5.505 -3.185 9.336 1.00 0.00 C ATOM 746 C LEU A 44 6.589 -3.831 10.181 1.00 0.00 C ATOM 747 O LEU A 44 7.693 -3.293 10.328 1.00 0.00 O ATOM 748 CB LEU A 44 5.118 -4.100 8.171 1.00 0.00 C ATOM 749 CG LEU A 44 3.937 -3.648 7.319 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.589 -4.698 6.290 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.744 -3.355 8.185 1.00 0.00 C ATOM 0 H LEU A 44 6.224 -1.874 7.895 1.00 0.00 H new ATOM 0 HA LEU A 44 4.630 -3.043 9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.986 -4.211 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.892 -5.088 8.573 1.00 0.00 H new ATOM 0 HG LEU A 44 4.223 -2.734 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.744 -4.356 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.447 -4.869 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.324 -5.628 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.911 -3.034 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.462 -4.255 8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.993 -2.564 8.892 1.00 0.00 H new ATOM 763 N ARG A 45 6.271 -4.986 10.703 1.00 0.00 N ATOM 764 CA ARG A 45 7.142 -5.724 11.579 1.00 0.00 C ATOM 765 C ARG A 45 7.641 -6.966 10.852 1.00 0.00 C ATOM 766 O ARG A 45 6.837 -7.781 10.399 1.00 0.00 O ATOM 767 CB ARG A 45 6.343 -6.100 12.835 1.00 0.00 C ATOM 768 CG ARG A 45 7.105 -6.848 13.914 1.00 0.00 C ATOM 769 CD ARG A 45 6.209 -7.075 15.127 1.00 0.00 C ATOM 770 NE ARG A 45 5.808 -5.797 15.749 1.00 0.00 N ATOM 771 CZ ARG A 45 4.542 -5.378 15.968 1.00 0.00 C ATOM 772 NH1 ARG A 45 3.494 -6.155 15.669 1.00 0.00 N ATOM 773 NH2 ARG A 45 4.343 -4.186 16.519 1.00 0.00 N ATOM 0 H ARG A 45 5.380 -5.450 10.527 1.00 0.00 H new ATOM 0 HA ARG A 45 8.008 -5.130 11.870 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.940 -5.186 13.271 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.493 -6.710 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.455 -7.805 13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.989 -6.280 14.206 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.320 -7.629 14.826 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.734 -7.688 15.859 1.00 0.00 H new ATOM 0 HE ARG A 45 6.558 -5.171 16.041 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.644 -7.081 15.269 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.546 -5.821 15.842 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.140 -3.601 16.770 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.393 -3.856 16.691 1.00 0.00 H new ATOM 787 N GLY A 46 8.943 -7.074 10.696 1.00 0.00 N ATOM 788 CA GLY A 46 9.524 -8.219 10.027 1.00 0.00 C ATOM 789 C GLY A 46 9.420 -8.113 8.525 1.00 0.00 C ATOM 790 O GLY A 46 9.377 -9.129 7.822 1.00 0.00 O ATOM 0 H GLY A 46 9.619 -6.384 11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.572 -8.311 10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.022 -9.127 10.361 1.00 0.00 H new ATOM 794 N MET A 47 9.395 -6.895 8.025 1.00 0.00 N ATOM 795 CA MET A 47 9.235 -6.651 6.604 1.00 0.00 C ATOM 796 C MET A 47 10.309 -5.676 6.141 1.00 0.00 C ATOM 797 O MET A 47 10.477 -4.628 6.767 1.00 0.00 O ATOM 798 CB MET A 47 7.837 -6.081 6.317 1.00 0.00 C ATOM 799 CG MET A 47 6.689 -7.006 6.718 1.00 0.00 C ATOM 800 SD MET A 47 6.614 -8.533 5.755 1.00 0.00 S ATOM 801 CE MET A 47 6.113 -7.901 4.152 1.00 0.00 C ATOM 0 H MET A 47 9.484 -6.049 8.588 1.00 0.00 H new ATOM 0 HA MET A 47 9.340 -7.590 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.727 -5.134 6.846 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.758 -5.862 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.789 -7.258 7.774 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.747 -6.470 6.606 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.685 -8.710 3.560 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.368 -7.117 4.287 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.981 -7.492 3.635 1.00 0.00 H new ATOM 811 N PRO A 48 11.018 -6.000 5.020 1.00 0.00 N ATOM 812 CA PRO A 48 12.171 -5.217 4.499 1.00 0.00 C ATOM 813 C PRO A 48 11.928 -3.714 4.432 1.00 0.00 C ATOM 814 O PRO A 48 12.650 -2.917 5.047 1.00 0.00 O ATOM 815 CB PRO A 48 12.396 -5.788 3.082 1.00 0.00 C ATOM 816 CG PRO A 48 11.221 -6.684 2.819 1.00 0.00 C ATOM 817 CD PRO A 48 10.750 -7.159 4.159 1.00 0.00 C ATOM 0 HA PRO A 48 13.029 -5.315 5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.454 -4.990 2.342 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.333 -6.343 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.430 -6.146 2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.506 -7.524 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.692 -7.420 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.293 -8.044 4.490 1.00 0.00 H new ATOM 825 N ASP A 49 10.928 -3.338 3.692 1.00 0.00 N ATOM 826 CA ASP A 49 10.553 -1.956 3.550 1.00 0.00 C ATOM 827 C ASP A 49 9.109 -1.943 3.200 1.00 0.00 C ATOM 828 O ASP A 49 8.750 -1.997 2.034 1.00 0.00 O ATOM 829 CB ASP A 49 11.339 -1.266 2.440 1.00 0.00 C ATOM 830 CG ASP A 49 11.307 0.235 2.611 1.00 0.00 C ATOM 831 OD1 ASP A 49 10.300 0.850 2.293 1.00 0.00 O ATOM 832 OD2 ASP A 49 12.316 0.815 3.118 1.00 0.00 O ATOM 0 H ASP A 49 10.342 -3.985 3.164 1.00 0.00 H new ATOM 0 HA ASP A 49 10.763 -1.421 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.371 -1.615 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.920 -1.535 1.470 1.00 0.00 H new ATOM 837 N CYS A 50 8.278 -2.025 4.193 1.00 0.00 N ATOM 838 CA CYS A 50 6.861 -2.083 3.967 1.00 0.00 C ATOM 839 C CYS A 50 6.154 -1.242 4.984 1.00 0.00 C ATOM 840 O CYS A 50 6.550 -1.211 6.161 1.00 0.00 O ATOM 841 CB CYS A 50 6.375 -3.531 4.034 1.00 0.00 C ATOM 842 SG CYS A 50 7.195 -4.629 2.852 1.00 0.00 S ATOM 0 H CYS A 50 8.555 -2.054 5.174 1.00 0.00 H new ATOM 0 HA CYS A 50 6.639 -1.694 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.535 -3.912 5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.301 -3.553 3.852 1.00 0.00 H new ATOM 0 HG CYS A 50 7.949 -3.927 2.059 1.00 0.00 H new ATOM 848 N TYR A 51 5.127 -0.577 4.549 1.00 0.00 N ATOM 849 CA TYR A 51 4.375 0.323 5.378 1.00 0.00 C ATOM 850 C TYR A 51 2.916 0.119 5.084 1.00 0.00 C ATOM 851 O TYR A 51 2.559 -0.332 3.980 1.00 0.00 O ATOM 852 CB TYR A 51 4.734 1.792 5.070 1.00 0.00 C ATOM 853 CG TYR A 51 6.206 2.143 5.172 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.068 1.906 4.113 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.729 2.709 6.316 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.401 2.219 4.198 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.070 3.026 6.404 1.00 0.00 C ATOM 858 CZ TYR A 51 8.897 2.779 5.339 1.00 0.00 C ATOM 859 OH TYR A 51 10.233 3.090 5.420 1.00 0.00 O ATOM 0 H TYR A 51 4.780 -0.644 3.592 1.00 0.00 H new ATOM 0 HA TYR A 51 4.606 0.119 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.392 2.027 4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.178 2.434 5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.683 1.467 3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.080 2.907 7.156 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.057 2.022 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.465 3.466 7.307 1.00 0.00 H new ATOM 0 HH TYR A 51 10.425 3.482 6.297 1.00 0.00 H new ATOM 869 N LYS A 52 2.087 0.416 6.038 1.00 0.00 N ATOM 870 CA LYS A 52 0.672 0.318 5.857 1.00 0.00 C ATOM 871 C LYS A 52 0.006 1.628 6.215 1.00 0.00 C ATOM 872 O LYS A 52 0.367 2.277 7.191 1.00 0.00 O ATOM 873 CB LYS A 52 0.081 -0.817 6.714 1.00 0.00 C ATOM 874 CG LYS A 52 0.368 -0.687 8.207 1.00 0.00 C ATOM 875 CD LYS A 52 -0.299 -1.786 9.007 1.00 0.00 C ATOM 876 CE LYS A 52 0.132 -1.736 10.460 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.564 -2.737 11.284 1.00 0.00 N ATOM 0 H LYS A 52 2.373 0.733 6.964 1.00 0.00 H new ATOM 0 HA LYS A 52 0.483 0.092 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.998 -0.846 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.478 -1.769 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.445 -0.718 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.019 0.283 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.382 -1.683 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.045 -2.757 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.208 -1.901 10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.062 -0.741 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.059 -3.043 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.430 -2.319 11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.814 -3.558 10.696 1.00 0.00 H new ATOM 891 N ILE A 53 -0.952 2.004 5.441 1.00 0.00 N ATOM 892 CA ILE A 53 -1.730 3.175 5.728 1.00 0.00 C ATOM 893 C ILE A 53 -3.104 2.715 6.077 1.00 0.00 C ATOM 894 O ILE A 53 -3.673 1.900 5.367 1.00 0.00 O ATOM 895 CB ILE A 53 -1.812 4.155 4.526 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.407 4.629 4.128 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.715 5.349 4.868 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.385 5.609 2.972 1.00 0.00 C ATOM 0 H ILE A 53 -1.224 1.513 4.589 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.253 3.719 6.543 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.250 3.631 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.066 5.094 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.196 3.760 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.762 6.026 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.718 4.991 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.308 5.878 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.645 5.893 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.826 5.142 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.958 6.497 3.237 1.00 0.00 H new ATOM 910 N LYS A 54 -3.626 3.196 7.153 1.00 0.00 N ATOM 911 CA LYS A 54 -4.931 2.807 7.573 1.00 0.00 C ATOM 912 C LYS A 54 -5.890 3.933 7.221 1.00 0.00 C ATOM 913 O LYS A 54 -5.510 5.116 7.239 1.00 0.00 O ATOM 914 CB LYS A 54 -4.983 2.502 9.103 1.00 0.00 C ATOM 915 CG LYS A 54 -4.827 3.708 10.053 1.00 0.00 C ATOM 916 CD LYS A 54 -3.477 3.764 10.796 1.00 0.00 C ATOM 917 CE LYS A 54 -2.288 4.078 9.892 1.00 0.00 C ATOM 918 NZ LYS A 54 -1.043 4.280 10.663 1.00 0.00 N ATOM 0 H LYS A 54 -3.163 3.868 7.765 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.214 1.887 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.934 2.017 9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.198 1.782 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.950 4.626 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.631 3.682 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.535 4.520 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.304 2.807 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.147 3.262 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.503 4.974 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.224 4.204 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.055 5.223 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.973 3.555 11.405 1.00 0.00 H new ATOM 932 N LEU A 55 -7.080 3.583 6.865 1.00 0.00 N ATOM 933 CA LEU A 55 -8.090 4.546 6.551 1.00 0.00 C ATOM 934 C LEU A 55 -8.778 4.851 7.883 1.00 0.00 C ATOM 935 O LEU A 55 -8.912 3.961 8.726 1.00 0.00 O ATOM 936 CB LEU A 55 -9.047 3.934 5.498 1.00 0.00 C ATOM 937 CG LEU A 55 -9.784 4.897 4.537 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.464 4.112 3.440 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.807 5.751 5.251 1.00 0.00 C ATOM 0 H LEU A 55 -7.385 2.613 6.782 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.706 5.469 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.472 3.233 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.800 3.352 6.030 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.033 5.563 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.980 4.798 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.718 3.548 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.185 3.423 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.296 6.409 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.552 5.109 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.311 6.351 6.014 1.00 0.00 H new ATOM 951 N ARG A 56 -9.162 6.081 8.101 1.00 0.00 N ATOM 952 CA ARG A 56 -9.665 6.474 9.403 1.00 0.00 C ATOM 953 C ARG A 56 -11.191 6.373 9.489 1.00 0.00 C ATOM 954 O ARG A 56 -11.730 5.888 10.482 1.00 0.00 O ATOM 955 CB ARG A 56 -9.173 7.883 9.721 1.00 0.00 C ATOM 956 CG ARG A 56 -9.428 8.372 11.131 1.00 0.00 C ATOM 957 CD ARG A 56 -8.846 9.759 11.290 1.00 0.00 C ATOM 958 NE ARG A 56 -8.986 10.303 12.634 1.00 0.00 N ATOM 959 CZ ARG A 56 -8.409 11.432 13.052 1.00 0.00 C ATOM 960 NH1 ARG A 56 -7.639 12.138 12.228 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.605 11.856 14.285 1.00 0.00 N ATOM 0 H ARG A 56 -9.139 6.826 7.405 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.279 5.781 10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.100 7.923 9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.645 8.577 9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.499 8.388 11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.977 7.691 11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.789 9.732 11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.333 10.431 10.583 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.563 9.788 13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.487 11.817 11.272 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.201 13.000 12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.198 11.321 14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.164 12.719 14.604 1.00 0.00 H new ATOM 975 N SER A 57 -11.877 6.807 8.454 1.00 0.00 N ATOM 976 CA SER A 57 -13.336 6.798 8.446 1.00 0.00 C ATOM 977 C SER A 57 -13.918 5.476 7.901 1.00 0.00 C ATOM 978 O SER A 57 -15.140 5.334 7.722 1.00 0.00 O ATOM 979 CB SER A 57 -13.840 7.985 7.642 1.00 0.00 C ATOM 980 OG SER A 57 -13.320 9.201 8.171 1.00 0.00 O ATOM 0 H SER A 57 -11.453 7.173 7.602 1.00 0.00 H new ATOM 0 HA SER A 57 -13.679 6.879 9.477 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.542 7.878 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.930 8.009 7.662 1.00 0.00 H new ATOM 0 HG SER A 57 -13.652 9.956 7.642 1.00 0.00 H new ATOM 986 N SER A 58 -13.058 4.528 7.626 1.00 0.00 N ATOM 987 CA SER A 58 -13.447 3.218 7.160 1.00 0.00 C ATOM 988 C SER A 58 -12.359 2.250 7.590 1.00 0.00 C ATOM 989 O SER A 58 -11.186 2.589 7.508 1.00 0.00 O ATOM 990 CB SER A 58 -13.611 3.211 5.626 1.00 0.00 C ATOM 991 OG SER A 58 -14.520 4.229 5.203 1.00 0.00 O ATOM 0 H SER A 58 -12.049 4.646 7.721 1.00 0.00 H new ATOM 0 HA SER A 58 -14.408 2.928 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.641 3.365 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.974 2.236 5.300 1.00 0.00 H new ATOM 0 HG SER A 58 -14.606 4.206 4.227 1.00 0.00 H new ATOM 997 N GLY A 59 -12.736 1.082 8.059 1.00 0.00 N ATOM 998 CA GLY A 59 -11.766 0.128 8.579 1.00 0.00 C ATOM 999 C GLY A 59 -11.006 -0.613 7.497 1.00 0.00 C ATOM 1000 O GLY A 59 -11.233 -1.804 7.253 1.00 0.00 O ATOM 0 H GLY A 59 -13.705 0.764 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.055 0.655 9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.282 -0.596 9.210 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.109 0.079 6.854 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.286 -0.484 5.809 1.00 0.00 C ATOM 1006 C TYR A 60 -7.856 -0.050 5.999 1.00 0.00 C ATOM 1007 O TYR A 60 -7.595 0.941 6.665 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.763 -0.034 4.423 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.079 -0.620 3.968 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.291 -0.034 4.312 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.103 -1.752 3.172 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.486 -0.563 3.873 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.291 -2.283 2.725 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.478 -1.688 3.079 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.663 -2.212 2.621 1.00 0.00 O ATOM 0 H TYR A 60 -9.922 1.064 7.040 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.362 -1.570 5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.849 1.053 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.997 -0.294 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.297 0.850 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.173 -2.227 2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.421 -0.099 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.291 -3.163 2.099 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.481 -3.004 2.074 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.944 -0.814 5.465 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.547 -0.459 5.455 1.00 0.00 C ATOM 1027 C ARG A 61 -4.922 -0.954 4.157 1.00 0.00 C ATOM 1028 O ARG A 61 -5.367 -1.957 3.585 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.749 -0.966 6.701 1.00 0.00 C ATOM 1030 CG ARG A 61 -4.632 -2.471 6.833 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.957 -3.110 7.164 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.359 -2.942 8.569 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.623 -2.977 9.017 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.647 -2.971 8.162 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.859 -2.998 10.315 1.00 0.00 N ATOM 0 H ARG A 61 -7.148 -1.709 5.020 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.488 0.628 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.745 -0.543 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.227 -0.576 7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.250 -2.889 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.908 -2.712 7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.727 -2.683 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.905 -4.174 6.935 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.620 -2.787 9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.473 -2.940 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.604 -2.998 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.081 -2.988 10.975 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.819 -3.025 10.658 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.941 -0.256 3.701 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.266 -0.554 2.463 1.00 0.00 C ATOM 1051 C LEU A 62 -1.796 -0.822 2.766 1.00 0.00 C ATOM 1052 O LEU A 62 -1.180 -0.064 3.510 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.474 0.653 1.508 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.860 0.605 0.099 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.565 1.608 -0.791 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.387 0.954 0.142 1.00 0.00 C ATOM 0 H LEU A 62 -3.568 0.562 4.183 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.664 -1.444 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.548 0.801 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.082 1.539 2.008 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.978 -0.406 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.131 1.576 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.625 1.362 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.446 2.609 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.974 0.914 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.263 1.959 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.863 0.241 0.778 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.253 -1.890 2.203 1.00 0.00 N ATOM 1069 CA VAL A 63 0.122 -2.294 2.458 1.00 0.00 C ATOM 1070 C VAL A 63 0.971 -2.138 1.194 1.00 0.00 C ATOM 1071 O VAL A 63 0.632 -2.668 0.119 1.00 0.00 O ATOM 1072 CB VAL A 63 0.196 -3.770 2.957 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.639 -4.205 3.187 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.618 -3.950 4.233 1.00 0.00 C ATOM 0 H VAL A 63 -1.752 -2.501 1.557 1.00 0.00 H new ATOM 0 HA VAL A 63 0.515 -1.644 3.239 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.229 -4.403 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.657 -5.238 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.196 -4.126 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.098 -3.562 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.552 -4.987 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.225 -3.296 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.660 -3.696 4.039 1.00 0.00 H new ATOM 1084 N TYR A 64 2.061 -1.428 1.317 1.00 0.00 N ATOM 1085 CA TYR A 64 2.943 -1.197 0.204 1.00 0.00 C ATOM 1086 C TYR A 64 4.389 -1.362 0.611 1.00 0.00 C ATOM 1087 O TYR A 64 4.717 -1.299 1.803 1.00 0.00 O ATOM 1088 CB TYR A 64 2.715 0.201 -0.421 1.00 0.00 C ATOM 1089 CG TYR A 64 2.881 1.400 0.516 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.115 1.735 1.068 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.808 2.212 0.809 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.261 2.829 1.882 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.946 3.309 1.624 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.177 3.612 2.160 1.00 0.00 C ATOM 1095 OH TYR A 64 3.324 4.705 2.980 1.00 0.00 O ATOM 0 H TYR A 64 2.362 -0.994 2.190 1.00 0.00 H new ATOM 0 HA TYR A 64 2.710 -1.946 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.408 0.320 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.708 0.229 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.976 1.120 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.840 1.982 0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.227 3.070 2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.091 3.932 1.844 1.00 0.00 H new ATOM 0 HH TYR A 64 4.233 5.061 2.891 1.00 0.00 H new ATOM 1105 N GLN A 65 5.238 -1.599 -0.350 1.00 0.00 N ATOM 1106 CA GLN A 65 6.650 -1.622 -0.104 1.00 0.00 C ATOM 1107 C GLN A 65 7.286 -0.460 -0.831 1.00 0.00 C ATOM 1108 O GLN A 65 6.881 -0.123 -1.950 1.00 0.00 O ATOM 1109 CB GLN A 65 7.315 -2.958 -0.495 1.00 0.00 C ATOM 1110 CG GLN A 65 7.254 -3.329 -1.966 1.00 0.00 C ATOM 1111 CD GLN A 65 8.025 -4.605 -2.277 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.124 -4.848 -1.569 1.00 0.00 O flip ATOM 1113 NE2 GLN A 65 7.658 -5.350 -3.177 1.00 0.00 N flip ATOM 0 H GLN A 65 4.972 -1.780 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 65 6.808 -1.526 0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.362 -2.921 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.845 -3.756 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.213 -3.456 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.658 -2.510 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.810 -5.136 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.200 -6.184 -3.401 1.00 0.00 H new ATOM 1122 N VAL A 66 8.229 0.173 -0.211 1.00 0.00 N ATOM 1123 CA VAL A 66 8.870 1.306 -0.814 1.00 0.00 C ATOM 1124 C VAL A 66 10.188 0.887 -1.420 1.00 0.00 C ATOM 1125 O VAL A 66 11.116 0.476 -0.728 1.00 0.00 O ATOM 1126 CB VAL A 66 9.073 2.468 0.199 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.866 3.613 -0.404 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.738 2.968 0.715 1.00 0.00 C ATOM 0 H VAL A 66 8.576 -0.073 0.716 1.00 0.00 H new ATOM 0 HA VAL A 66 8.216 1.682 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 66 9.649 2.071 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.985 4.403 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.848 3.253 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.336 4.006 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.903 3.781 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.138 3.329 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.213 2.154 1.214 1.00 0.00 H new ATOM 1138 N ILE A 67 10.265 0.943 -2.713 1.00 0.00 N ATOM 1139 CA ILE A 67 11.479 0.628 -3.361 1.00 0.00 C ATOM 1140 C ILE A 67 12.187 1.939 -3.600 1.00 0.00 C ATOM 1141 O ILE A 67 11.933 2.633 -4.595 1.00 0.00 O ATOM 1142 CB ILE A 67 11.249 -0.092 -4.718 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.283 -1.276 -4.542 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.586 -0.582 -5.281 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.897 -1.954 -5.841 1.00 0.00 C ATOM 0 H ILE A 67 9.497 1.205 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 67 12.062 -0.052 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 67 10.805 0.615 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.743 -2.012 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.379 -0.924 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.417 -1.086 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.250 0.269 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.044 -1.278 -4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.215 -2.778 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.407 -1.234 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.792 -2.339 -6.330 1.00 0.00 H new ATOM 1157 N ASP A 68 13.054 2.293 -2.685 1.00 0.00 N ATOM 1158 CA ASP A 68 13.784 3.561 -2.773 1.00 0.00 C ATOM 1159 C ASP A 68 14.768 3.508 -3.916 1.00 0.00 C ATOM 1160 O ASP A 68 15.061 4.516 -4.556 1.00 0.00 O ATOM 1161 CB ASP A 68 14.500 3.880 -1.459 1.00 0.00 C ATOM 1162 CG ASP A 68 15.190 5.232 -1.483 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.552 6.247 -1.125 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.381 5.304 -1.859 1.00 0.00 O ATOM 0 H ASP A 68 13.281 1.730 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 68 13.066 4.360 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.779 3.859 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.237 3.104 -1.253 1.00 0.00 H new ATOM 1169 N GLU A 69 15.208 2.294 -4.208 1.00 0.00 N ATOM 1170 CA GLU A 69 16.149 2.016 -5.280 1.00 0.00 C ATOM 1171 C GLU A 69 15.596 2.474 -6.627 1.00 0.00 C ATOM 1172 O GLU A 69 16.327 2.967 -7.466 1.00 0.00 O ATOM 1173 CB GLU A 69 16.420 0.523 -5.346 1.00 0.00 C ATOM 1174 CG GLU A 69 16.909 -0.080 -4.051 1.00 0.00 C ATOM 1175 CD GLU A 69 17.202 -1.544 -4.189 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.279 -2.375 -4.029 1.00 0.00 O ATOM 1177 OE2 GLU A 69 18.367 -1.901 -4.467 1.00 0.00 O ATOM 0 H GLU A 69 14.916 1.461 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 69 17.070 2.561 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.505 0.013 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.161 0.335 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.809 0.441 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.157 0.068 -3.276 1.00 0.00 H new ATOM 1184 N LYS A 70 14.299 2.304 -6.811 1.00 0.00 N ATOM 1185 CA LYS A 70 13.650 2.663 -8.064 1.00 0.00 C ATOM 1186 C LYS A 70 12.793 3.912 -7.901 1.00 0.00 C ATOM 1187 O LYS A 70 12.186 4.392 -8.868 1.00 0.00 O ATOM 1188 CB LYS A 70 12.810 1.494 -8.578 1.00 0.00 C ATOM 1189 CG LYS A 70 13.616 0.247 -8.882 1.00 0.00 C ATOM 1190 CD LYS A 70 12.731 -0.881 -9.369 1.00 0.00 C ATOM 1191 CE LYS A 70 13.549 -2.117 -9.667 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.734 -3.207 -10.230 1.00 0.00 N ATOM 0 H LYS A 70 13.670 1.918 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 70 14.425 2.886 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.050 1.251 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.286 1.805 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.367 0.474 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.151 -0.069 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.979 -1.111 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.197 -0.568 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.345 -1.863 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.029 -2.462 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.339 -4.032 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.990 -3.470 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.296 -2.890 -11.119 1.00 0.00 H new ATOM 1206 N VAL A 71 12.756 4.426 -6.662 1.00 0.00 N ATOM 1207 CA VAL A 71 11.998 5.637 -6.289 1.00 0.00 C ATOM 1208 C VAL A 71 10.482 5.399 -6.526 1.00 0.00 C ATOM 1209 O VAL A 71 9.712 6.301 -6.863 1.00 0.00 O ATOM 1210 CB VAL A 71 12.526 6.910 -7.067 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.924 8.211 -6.528 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.044 6.987 -7.000 1.00 0.00 C ATOM 0 H VAL A 71 13.258 4.009 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 71 12.151 5.837 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 71 12.209 6.798 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.317 9.056 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.839 8.179 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.187 8.325 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.388 7.869 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.359 7.054 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.474 6.093 -7.453 1.00 0.00 H new ATOM 1222 N VAL A 72 10.050 4.189 -6.282 1.00 0.00 N ATOM 1223 CA VAL A 72 8.671 3.846 -6.489 1.00 0.00 C ATOM 1224 C VAL A 72 8.124 3.078 -5.293 1.00 0.00 C ATOM 1225 O VAL A 72 8.809 2.247 -4.691 1.00 0.00 O ATOM 1226 CB VAL A 72 8.456 3.050 -7.828 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.206 1.739 -7.832 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.974 2.830 -8.133 1.00 0.00 C ATOM 0 H VAL A 72 10.635 3.426 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 72 8.111 4.776 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 72 8.868 3.670 -8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.030 1.222 -8.775 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.273 1.930 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.857 1.118 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.873 2.276 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.516 2.262 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.475 3.794 -8.227 1.00 0.00 H new ATOM 1238 N VAL A 73 6.936 3.410 -4.934 1.00 0.00 N ATOM 1239 CA VAL A 73 6.216 2.775 -3.890 1.00 0.00 C ATOM 1240 C VAL A 73 5.274 1.786 -4.548 1.00 0.00 C ATOM 1241 O VAL A 73 4.453 2.164 -5.402 1.00 0.00 O ATOM 1242 CB VAL A 73 5.421 3.820 -3.074 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.650 3.169 -1.957 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.348 4.894 -2.526 1.00 0.00 C ATOM 0 H VAL A 73 6.416 4.166 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 73 6.891 2.269 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 73 4.705 4.291 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.102 3.930 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.948 2.446 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.342 2.659 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.768 5.619 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.094 4.435 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.848 5.399 -3.352 1.00 0.00 H new ATOM 1254 N PHE A 74 5.404 0.547 -4.192 1.00 0.00 N ATOM 1255 CA PHE A 74 4.674 -0.499 -4.839 1.00 0.00 C ATOM 1256 C PHE A 74 3.641 -1.073 -3.870 1.00 0.00 C ATOM 1257 O PHE A 74 4.005 -1.623 -2.824 1.00 0.00 O ATOM 1258 CB PHE A 74 5.663 -1.589 -5.266 1.00 0.00 C ATOM 1259 CG PHE A 74 5.338 -2.266 -6.563 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.076 -2.186 -7.120 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.314 -2.975 -7.238 1.00 0.00 C ATOM 1262 CE1 PHE A 74 3.801 -2.794 -8.314 1.00 0.00 C ATOM 1263 CE2 PHE A 74 6.037 -3.589 -8.436 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.780 -3.496 -8.973 1.00 0.00 C ATOM 0 H PHE A 74 6.020 0.231 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 74 4.153 -0.113 -5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.656 -1.147 -5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.710 -2.344 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.299 -1.638 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.307 -3.047 -6.819 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.811 -2.722 -8.740 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.807 -4.143 -8.952 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.559 -3.975 -9.915 1.00 0.00 H new ATOM 1274 N VAL A 75 2.375 -0.911 -4.193 1.00 0.00 N ATOM 1275 CA VAL A 75 1.291 -1.419 -3.362 1.00 0.00 C ATOM 1276 C VAL A 75 1.094 -2.896 -3.639 1.00 0.00 C ATOM 1277 O VAL A 75 0.797 -3.276 -4.774 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.034 -0.660 -3.631 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.171 -1.194 -2.761 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.155 0.836 -3.422 1.00 0.00 C ATOM 0 H VAL A 75 2.064 -0.426 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 75 1.562 -1.265 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.311 -0.830 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.085 -0.639 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.329 -2.251 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.912 -1.073 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.785 1.352 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.467 1.023 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.919 1.205 -4.106 1.00 0.00 H new ATOM 1290 N ILE A 76 1.218 -3.710 -2.604 1.00 0.00 N ATOM 1291 CA ILE A 76 1.173 -5.157 -2.771 1.00 0.00 C ATOM 1292 C ILE A 76 -0.220 -5.698 -2.461 1.00 0.00 C ATOM 1293 O ILE A 76 -0.745 -6.551 -3.185 1.00 0.00 O ATOM 1294 CB ILE A 76 2.167 -5.864 -1.809 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.545 -5.187 -1.835 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.298 -7.341 -2.191 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.541 -5.791 -0.860 1.00 0.00 C ATOM 0 H ILE A 76 1.350 -3.397 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 76 1.441 -5.360 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 76 1.774 -5.785 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.953 -5.252 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.424 -4.128 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.996 -7.832 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.323 -7.823 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.668 -7.421 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.491 -5.261 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.155 -5.702 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.692 -6.843 -1.100 1.00 0.00 H new ATOM 1309 N SER A 77 -0.816 -5.188 -1.407 1.00 0.00 N ATOM 1310 CA SER A 77 -2.091 -5.669 -0.937 1.00 0.00 C ATOM 1311 C SER A 77 -2.909 -4.513 -0.361 1.00 0.00 C ATOM 1312 O SER A 77 -2.339 -3.520 0.143 1.00 0.00 O ATOM 1313 CB SER A 77 -1.832 -6.759 0.113 1.00 0.00 C ATOM 1314 OG SER A 77 -0.864 -6.317 1.071 1.00 0.00 O ATOM 0 H SER A 77 -0.427 -4.426 -0.852 1.00 0.00 H new ATOM 0 HA SER A 77 -2.670 -6.093 -1.757 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.763 -7.012 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.479 -7.666 -0.377 1.00 0.00 H new ATOM 0 HG SER A 77 -0.750 -7.003 1.761 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.217 -4.597 -0.456 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.060 -3.531 0.028 1.00 0.00 C ATOM 1322 C VAL A 78 -6.425 -4.047 0.512 1.00 0.00 C ATOM 1323 O VAL A 78 -7.126 -4.762 -0.201 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.201 -2.382 -1.033 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.742 -2.882 -2.359 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.050 -1.247 -0.507 1.00 0.00 C ATOM 0 H VAL A 78 -4.716 -5.388 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.567 -3.102 0.900 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.195 -2.005 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.820 -2.049 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.067 -3.635 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.728 -3.322 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.127 -0.469 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.046 -1.619 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.590 -0.834 0.391 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.798 -3.701 1.723 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.077 -4.130 2.209 1.00 0.00 C ATOM 1338 C GLY A 79 -8.152 -4.163 3.704 1.00 0.00 C ATOM 1339 O GLY A 79 -7.912 -3.157 4.380 1.00 0.00 O ATOM 0 H GLY A 79 -6.246 -3.138 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.848 -3.461 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.294 -5.124 1.817 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.476 -5.291 4.233 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.619 -5.445 5.645 1.00 0.00 C ATOM 1345 C LYS A 80 -7.541 -6.371 6.158 1.00 0.00 C ATOM 1346 O LYS A 80 -7.004 -7.184 5.413 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.014 -5.965 5.989 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.139 -5.097 5.436 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.502 -5.677 5.746 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.606 -4.873 5.078 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.942 -5.447 5.326 1.00 0.00 N ATOM 0 H LYS A 80 -8.651 -6.141 3.697 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.505 -4.476 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.122 -6.977 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.113 -6.028 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.066 -4.095 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.024 -4.997 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.546 -6.712 5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.659 -5.689 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.579 -3.847 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.424 -4.832 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.663 -4.866 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.978 -6.417 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.129 -5.463 6.349 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.236 -6.263 7.419 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.157 -7.026 8.009 1.00 0.00 C ATOM 1367 C ALA A 81 -6.683 -8.279 8.671 1.00 0.00 C ATOM 1368 O ALA A 81 -5.973 -8.938 9.443 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.416 -6.166 9.000 1.00 0.00 C ATOM 0 H ALA A 81 -7.722 -5.648 8.071 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.469 -7.334 7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.603 -6.741 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.007 -5.294 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.101 -5.841 9.783 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.445 -9.337 4.263 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.620 -8.286 3.653 1.00 0.00 C ATOM 1428 C VAL A 86 -1.130 -8.449 3.985 1.00 0.00 C ATOM 1429 O VAL A 86 -0.274 -8.047 3.208 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.099 -6.845 4.015 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.464 -6.555 3.411 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.136 -6.630 5.521 1.00 0.00 C ATOM 0 HA VAL A 86 -2.747 -8.412 2.578 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.375 -6.149 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.773 -5.545 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.408 -6.641 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.191 -7.271 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.474 -5.616 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.823 -7.345 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.138 -6.775 5.934 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.836 -9.075 5.115 1.00 0.00 N ATOM 1443 CA TYR A 87 0.538 -9.297 5.528 1.00 0.00 C ATOM 1444 C TYR A 87 1.063 -10.527 4.836 1.00 0.00 C ATOM 1445 O TYR A 87 2.165 -10.525 4.301 1.00 0.00 O ATOM 1446 CB TYR A 87 0.641 -9.495 7.044 1.00 0.00 C ATOM 1447 CG TYR A 87 0.176 -8.325 7.868 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -1.161 -8.162 8.177 1.00 0.00 C ATOM 1449 CD2 TYR A 87 1.075 -7.390 8.351 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -1.592 -7.105 8.934 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.650 -6.329 9.118 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.689 -6.193 9.406 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.131 -5.140 10.176 1.00 0.00 O ATOM 0 H TYR A 87 -1.535 -9.439 5.763 1.00 0.00 H new ATOM 0 HA TYR A 87 1.125 -8.420 5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.056 -10.372 7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.679 -9.710 7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.880 -8.882 7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.125 -7.494 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.643 -6.992 9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.362 -5.608 9.491 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.973 -5.338 11.123 1.00 0.00 H new ATOM 1463 N SER A 88 0.241 -11.569 4.824 1.00 0.00 N ATOM 1464 CA SER A 88 0.592 -12.827 4.208 1.00 0.00 C ATOM 1465 C SER A 88 0.907 -12.628 2.723 1.00 0.00 C ATOM 1466 O SER A 88 1.965 -13.026 2.266 1.00 0.00 O ATOM 1467 CB SER A 88 -0.537 -13.860 4.403 1.00 0.00 C ATOM 1468 OG SER A 88 -0.181 -15.156 3.898 1.00 0.00 O ATOM 0 H SER A 88 -0.688 -11.558 5.244 1.00 0.00 H new ATOM 0 HA SER A 88 1.488 -13.213 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.776 -13.939 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.438 -13.510 3.898 1.00 0.00 H new ATOM 0 HG SER A 88 -0.923 -15.779 4.044 1.00 0.00 H new ATOM 1474 N GLU A 89 0.025 -11.937 2.004 1.00 0.00 N ATOM 1475 CA GLU A 89 0.196 -11.715 0.564 1.00 0.00 C ATOM 1476 C GLU A 89 1.483 -10.909 0.286 1.00 0.00 C ATOM 1477 O GLU A 89 2.142 -11.088 -0.743 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.036 -10.986 0.004 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.101 -10.924 -1.518 1.00 0.00 C ATOM 1480 CD GLU A 89 -1.136 -12.300 -2.142 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -2.133 -13.031 -1.945 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -0.178 -12.679 -2.837 1.00 0.00 O ATOM 0 H GLU A 89 -0.819 -11.518 2.394 1.00 0.00 H new ATOM 0 HA GLU A 89 0.292 -12.679 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.934 -11.482 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.050 -9.969 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.988 -10.367 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.237 -10.377 -1.895 1.00 0.00 H new ATOM 1489 N ALA A 90 1.856 -10.069 1.232 1.00 0.00 N ATOM 1490 CA ALA A 90 3.038 -9.255 1.102 1.00 0.00 C ATOM 1491 C ALA A 90 4.305 -10.070 1.372 1.00 0.00 C ATOM 1492 O ALA A 90 5.281 -9.982 0.625 1.00 0.00 O ATOM 1493 CB ALA A 90 2.960 -8.046 2.023 1.00 0.00 C ATOM 0 H ALA A 90 1.348 -9.935 2.106 1.00 0.00 H new ATOM 0 HA ALA A 90 3.089 -8.898 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.862 -7.444 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.088 -7.446 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.874 -8.381 3.057 1.00 0.00 H new