USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 46 LYS NZ :NH3+ -171:sc= -3.05! (180deg=-3.41!) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.957 K(o=-4,f=-4.5) USER MOD Set 1.3: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 SER OG : rot -133:sc= -1.12 USER MOD Set 2.2: A 23 SER OG : rot -130:sc= -0.974! USER MOD Set 3.1: A 12 SER OG : rot -90:sc= -0.211 USER MOD Set 3.2: A 14 ASN : amide:sc= -0.0472 K(o=0.89,f=-1.2!) USER MOD Set 3.3: A 28 SER OG : rot 41:sc= 1.15 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0648 (180deg=-0.563) USER MOD Single : A 4 THR OG1 : rot -7:sc= -0.933! USER MOD Single : A 8 ASN : amide:sc=-0.00199 K(o=-0.002,f=-0.91) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.437! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 62:sc= 0.151 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.296 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 33 THR OG1 : rot 128:sc= 0.797 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -2.35 (180deg=-3.68!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.073 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.023 (180deg=-0.356) USER MOD Single : A 71 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.45) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 74 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-4.4!) USER MOD Single : A 75 HIS : no HD1:sc=-0.00425 X(o=-0.0043,f=-0.4) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.034 8.283 12.573 1.00 0.00 N ATOM 2 CA ALA A 1 9.953 6.950 11.913 1.00 0.00 C ATOM 3 C ALA A 1 9.734 7.140 10.411 1.00 0.00 C ATOM 4 O ALA A 1 10.671 7.259 9.648 1.00 0.00 O ATOM 5 CB ALA A 1 8.778 6.164 12.496 1.00 0.00 C ATOM 0 H1 ALA A 1 10.183 8.156 13.594 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.828 8.821 12.172 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.148 8.803 12.414 1.00 0.00 H new ATOM 0 HA ALA A 1 10.881 6.403 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.718 5.188 12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.926 6.031 13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.852 6.712 12.323 1.00 0.00 H new ATOM 13 N GLU A 2 8.496 7.165 9.992 1.00 0.00 N ATOM 14 CA GLU A 2 8.176 7.346 8.546 1.00 0.00 C ATOM 15 C GLU A 2 8.827 6.237 7.716 1.00 0.00 C ATOM 16 O GLU A 2 10.031 6.065 7.722 1.00 0.00 O ATOM 17 CB GLU A 2 8.674 8.714 8.064 1.00 0.00 C ATOM 18 CG GLU A 2 8.252 8.919 6.607 1.00 0.00 C ATOM 19 CD GLU A 2 8.657 10.321 6.151 1.00 0.00 C ATOM 20 OE1 GLU A 2 8.958 11.136 7.008 1.00 0.00 O ATOM 21 OE2 GLU A 2 8.661 10.557 4.955 1.00 0.00 O ATOM 0 H GLU A 2 7.682 7.066 10.599 1.00 0.00 H new ATOM 0 HA GLU A 2 7.095 7.294 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.261 9.506 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.759 8.771 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.723 8.168 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.174 8.790 6.508 1.00 0.00 H new ATOM 28 N LYS A 3 8.031 5.485 6.994 1.00 0.00 N ATOM 29 CA LYS A 3 8.580 4.380 6.147 1.00 0.00 C ATOM 30 C LYS A 3 7.894 4.401 4.785 1.00 0.00 C ATOM 31 O LYS A 3 6.796 4.900 4.648 1.00 0.00 O ATOM 32 CB LYS A 3 8.310 3.042 6.833 1.00 0.00 C ATOM 33 CG LYS A 3 9.152 2.950 8.105 1.00 0.00 C ATOM 34 CD LYS A 3 8.887 1.613 8.795 1.00 0.00 C ATOM 35 CE LYS A 3 9.771 1.502 10.036 1.00 0.00 C ATOM 36 NZ LYS A 3 9.433 2.598 10.988 1.00 0.00 N ATOM 0 H LYS A 3 7.017 5.591 6.955 1.00 0.00 H new ATOM 0 HA LYS A 3 9.654 4.514 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.251 2.952 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.554 2.219 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.210 3.042 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.907 3.773 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.836 1.537 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.095 0.790 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.625 0.533 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.822 1.563 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.795 2.360 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.868 3.486 10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.400 2.714 11.031 1.00 0.00 H new ATOM 50 N THR A 4 8.538 3.869 3.771 1.00 0.00 N ATOM 51 CA THR A 4 7.929 3.857 2.404 1.00 0.00 C ATOM 52 C THR A 4 7.936 2.427 1.862 1.00 0.00 C ATOM 53 O THR A 4 8.960 1.765 1.826 1.00 0.00 O ATOM 54 CB THR A 4 8.744 4.767 1.483 1.00 0.00 C ATOM 55 OG1 THR A 4 9.936 4.100 1.096 1.00 0.00 O ATOM 56 CG2 THR A 4 9.091 6.064 2.222 1.00 0.00 C ATOM 0 H THR A 4 9.462 3.442 3.834 1.00 0.00 H new ATOM 0 HA THR A 4 6.902 4.218 2.451 1.00 0.00 H new ATOM 0 HB THR A 4 8.160 5.006 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.017 3.260 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.672 6.712 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.173 6.573 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.676 5.831 3.112 1.00 0.00 H new ATOM 64 N GLY A 5 6.791 1.947 1.441 1.00 0.00 N ATOM 65 CA GLY A 5 6.696 0.556 0.901 1.00 0.00 C ATOM 66 C GLY A 5 6.835 0.582 -0.618 1.00 0.00 C ATOM 67 O GLY A 5 6.177 1.345 -1.299 1.00 0.00 O ATOM 0 H GLY A 5 5.912 2.464 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.477 -0.067 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.741 0.112 1.181 1.00 0.00 H new ATOM 71 N ILE A 6 7.690 -0.251 -1.161 1.00 0.00 N ATOM 72 CA ILE A 6 7.871 -0.276 -2.642 1.00 0.00 C ATOM 73 C ILE A 6 6.957 -1.345 -3.248 1.00 0.00 C ATOM 74 O ILE A 6 7.058 -2.516 -2.933 1.00 0.00 O ATOM 75 CB ILE A 6 9.339 -0.587 -2.965 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.202 0.644 -2.645 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.488 -0.936 -4.453 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.049 1.039 -1.171 1.00 0.00 C ATOM 0 H ILE A 6 8.268 -0.912 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 6 7.610 0.694 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 6 9.665 -1.436 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.248 0.429 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.908 1.477 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.533 -1.155 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.878 -1.809 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.159 -0.092 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.667 1.912 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.005 1.275 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.366 0.211 -0.538 1.00 0.00 H new ATOM 90 N VAL A 7 6.074 -0.950 -4.121 1.00 0.00 N ATOM 91 CA VAL A 7 5.161 -1.936 -4.759 1.00 0.00 C ATOM 92 C VAL A 7 5.926 -2.717 -5.826 1.00 0.00 C ATOM 93 O VAL A 7 6.625 -2.144 -6.639 1.00 0.00 O ATOM 94 CB VAL A 7 3.998 -1.191 -5.409 1.00 0.00 C ATOM 95 CG1 VAL A 7 3.134 -2.172 -6.203 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.153 -0.532 -4.319 1.00 0.00 C ATOM 0 H VAL A 7 5.945 0.016 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 7 4.780 -2.627 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 7 4.386 -0.429 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.305 -1.635 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.738 -2.644 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.742 -2.937 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.320 0.002 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.767 -1.297 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.768 0.170 -3.756 1.00 0.00 H new ATOM 106 N ASN A 8 5.797 -4.020 -5.834 1.00 0.00 N ATOM 107 CA ASN A 8 6.513 -4.848 -6.853 1.00 0.00 C ATOM 108 C ASN A 8 5.549 -5.888 -7.425 1.00 0.00 C ATOM 109 O ASN A 8 5.490 -7.010 -6.963 1.00 0.00 O ATOM 110 CB ASN A 8 7.695 -5.553 -6.182 1.00 0.00 C ATOM 111 CG ASN A 8 8.486 -6.335 -7.232 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.625 -5.895 -8.356 1.00 0.00 O ATOM 113 ND2 ASN A 8 9.013 -7.483 -6.910 1.00 0.00 N ATOM 0 H ASN A 8 5.224 -4.548 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 8 6.878 -4.213 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.340 -4.821 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.336 -6.228 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.543 -8.013 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.896 -7.851 -5.966 1.00 0.00 H new ATOM 120 N VAL A 9 4.791 -5.518 -8.432 1.00 0.00 N ATOM 121 CA VAL A 9 3.819 -6.474 -9.054 1.00 0.00 C ATOM 122 C VAL A 9 3.991 -6.461 -10.575 1.00 0.00 C ATOM 123 O VAL A 9 4.066 -5.420 -11.196 1.00 0.00 O ATOM 124 CB VAL A 9 2.388 -6.058 -8.693 1.00 0.00 C ATOM 125 CG1 VAL A 9 2.173 -6.206 -7.182 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.156 -4.600 -9.097 1.00 0.00 C ATOM 0 H VAL A 9 4.805 -4.588 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 9 4.008 -7.480 -8.678 1.00 0.00 H new ATOM 0 HB VAL A 9 1.685 -6.699 -9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.155 -5.910 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.331 -7.245 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.880 -5.569 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.138 -4.308 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.862 -3.959 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.303 -4.493 -10.172 1.00 0.00 H new ATOM 136 N SER A 10 4.056 -7.618 -11.175 1.00 0.00 N ATOM 137 CA SER A 10 4.223 -7.696 -12.652 1.00 0.00 C ATOM 138 C SER A 10 3.018 -7.054 -13.348 1.00 0.00 C ATOM 139 O SER A 10 3.157 -6.353 -14.331 1.00 0.00 O ATOM 140 CB SER A 10 4.322 -9.163 -13.060 1.00 0.00 C ATOM 141 OG SER A 10 5.413 -9.765 -12.374 1.00 0.00 O ATOM 0 H SER A 10 4.000 -8.519 -10.700 1.00 0.00 H new ATOM 0 HA SER A 10 5.128 -7.164 -12.946 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.394 -9.683 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.464 -9.245 -14.138 1.00 0.00 H new ATOM 0 HG SER A 10 5.481 -10.708 -12.631 1.00 0.00 H new ATOM 147 N SER A 11 1.833 -7.301 -12.854 1.00 0.00 N ATOM 148 CA SER A 11 0.612 -6.719 -13.490 1.00 0.00 C ATOM 149 C SER A 11 0.278 -5.381 -12.831 1.00 0.00 C ATOM 150 O SER A 11 0.618 -4.328 -13.331 1.00 0.00 O ATOM 151 CB SER A 11 -0.560 -7.677 -13.295 1.00 0.00 C ATOM 152 OG SER A 11 -0.763 -7.883 -11.904 1.00 0.00 O ATOM 0 H SER A 11 1.657 -7.883 -12.035 1.00 0.00 H new ATOM 0 HA SER A 11 0.795 -6.566 -14.554 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.461 -7.267 -13.750 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.357 -8.626 -13.790 1.00 0.00 H new ATOM 0 HG SER A 11 -1.516 -8.496 -11.771 1.00 0.00 H new ATOM 158 N SER A 12 -0.384 -5.417 -11.711 1.00 0.00 N ATOM 159 CA SER A 12 -0.738 -4.150 -11.017 1.00 0.00 C ATOM 160 C SER A 12 -1.185 -4.468 -9.595 1.00 0.00 C ATOM 161 O SER A 12 -1.434 -5.609 -9.263 1.00 0.00 O ATOM 162 CB SER A 12 -1.882 -3.456 -11.756 1.00 0.00 C ATOM 163 OG SER A 12 -2.190 -2.237 -11.092 1.00 0.00 O ATOM 0 H SER A 12 -0.696 -6.269 -11.246 1.00 0.00 H new ATOM 0 HA SER A 12 0.132 -3.494 -10.999 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.598 -3.260 -12.790 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.759 -4.102 -11.783 1.00 0.00 H new ATOM 0 HG SER A 12 -2.874 -2.400 -10.409 1.00 0.00 H new ATOM 169 N LEU A 13 -1.291 -3.466 -8.754 1.00 0.00 N ATOM 170 CA LEU A 13 -1.727 -3.702 -7.340 1.00 0.00 C ATOM 171 C LEU A 13 -3.011 -2.921 -7.062 1.00 0.00 C ATOM 172 O LEU A 13 -3.123 -1.750 -7.368 1.00 0.00 O ATOM 173 CB LEU A 13 -0.626 -3.236 -6.378 1.00 0.00 C ATOM 174 CG LEU A 13 -1.089 -3.406 -4.920 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.486 -4.868 -4.648 1.00 0.00 C ATOM 176 CD2 LEU A 13 0.050 -2.994 -3.979 1.00 0.00 C ATOM 0 H LEU A 13 -1.094 -2.493 -8.987 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.911 -4.766 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.284 -3.812 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.383 -2.191 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.959 -2.773 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.811 -4.970 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.300 -5.154 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.628 -5.517 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.272 -3.112 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.920 -3.625 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.313 -1.952 -4.160 1.00 0.00 H new ATOM 188 N ASN A 14 -3.978 -3.570 -6.475 1.00 0.00 N ATOM 189 CA ASN A 14 -5.266 -2.892 -6.160 1.00 0.00 C ATOM 190 C ASN A 14 -5.208 -2.294 -4.753 1.00 0.00 C ATOM 191 O ASN A 14 -4.496 -2.775 -3.893 1.00 0.00 O ATOM 192 CB ASN A 14 -6.395 -3.915 -6.226 1.00 0.00 C ATOM 193 CG ASN A 14 -6.649 -4.282 -7.686 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.243 -3.571 -8.581 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.307 -5.372 -7.966 1.00 0.00 N ATOM 0 H ASN A 14 -3.930 -4.550 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.442 -2.094 -6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.131 -4.805 -5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.300 -3.506 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.481 -5.627 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.648 -5.969 -7.213 1.00 0.00 H new ATOM 202 N VAL A 15 -5.961 -1.250 -4.513 1.00 0.00 N ATOM 203 CA VAL A 15 -5.968 -0.608 -3.164 1.00 0.00 C ATOM 204 C VAL A 15 -7.242 -1.019 -2.430 1.00 0.00 C ATOM 205 O VAL A 15 -8.328 -0.943 -2.969 1.00 0.00 O ATOM 206 CB VAL A 15 -5.938 0.911 -3.337 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.224 1.599 -1.998 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.557 1.324 -3.842 1.00 0.00 C ATOM 0 H VAL A 15 -6.576 -0.812 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.098 -0.924 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.701 1.211 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.200 2.680 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.208 1.300 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.467 1.307 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.525 2.406 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.800 1.021 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.360 0.840 -4.799 1.00 0.00 H new ATOM 218 N ARG A 16 -7.112 -1.461 -1.203 1.00 0.00 N ATOM 219 CA ARG A 16 -8.307 -1.892 -0.420 1.00 0.00 C ATOM 220 C ARG A 16 -8.579 -0.904 0.713 1.00 0.00 C ATOM 221 O ARG A 16 -7.687 -0.492 1.429 1.00 0.00 O ATOM 222 CB ARG A 16 -8.037 -3.277 0.162 1.00 0.00 C ATOM 223 CG ARG A 16 -8.006 -4.297 -0.978 1.00 0.00 C ATOM 224 CD ARG A 16 -7.772 -5.700 -0.415 1.00 0.00 C ATOM 225 NE ARG A 16 -6.410 -5.782 0.186 1.00 0.00 N ATOM 226 CZ ARG A 16 -5.369 -6.023 -0.568 1.00 0.00 C ATOM 227 NH1 ARG A 16 -5.512 -6.177 -1.855 1.00 0.00 N ATOM 228 NH2 ARG A 16 -4.185 -6.110 -0.029 1.00 0.00 N ATOM 0 H ARG A 16 -6.223 -1.541 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.179 -1.923 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.088 -3.282 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.811 -3.541 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.946 -4.269 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.216 -4.042 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.526 -5.930 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.875 -6.442 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.290 -5.649 1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.438 -6.110 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.698 -6.365 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.073 -5.990 0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.371 -6.298 -0.614 1.00 0.00 H new ATOM 242 N GLU A 17 -9.817 -0.532 0.878 1.00 0.00 N ATOM 243 CA GLU A 17 -10.187 0.419 1.958 1.00 0.00 C ATOM 244 C GLU A 17 -10.063 -0.277 3.316 1.00 0.00 C ATOM 245 O GLU A 17 -9.686 0.325 4.301 1.00 0.00 O ATOM 246 CB GLU A 17 -11.636 0.859 1.741 1.00 0.00 C ATOM 247 CG GLU A 17 -12.043 1.870 2.814 1.00 0.00 C ATOM 248 CD GLU A 17 -13.469 2.357 2.541 1.00 0.00 C ATOM 249 OE1 GLU A 17 -14.136 1.748 1.720 1.00 0.00 O ATOM 250 OE2 GLU A 17 -13.871 3.329 3.159 1.00 0.00 O ATOM 0 H GLU A 17 -10.596 -0.851 0.303 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.525 1.285 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.745 1.303 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.297 -0.007 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.987 1.411 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.353 2.714 2.815 1.00 0.00 H new ATOM 257 N GLY A 18 -10.398 -1.543 3.377 1.00 0.00 N ATOM 258 CA GLY A 18 -10.323 -2.291 4.669 1.00 0.00 C ATOM 259 C GLY A 18 -9.039 -3.121 4.730 1.00 0.00 C ATOM 260 O GLY A 18 -8.208 -3.068 3.842 1.00 0.00 O ATOM 0 H GLY A 18 -10.722 -2.093 2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.351 -1.591 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.191 -2.943 4.770 1.00 0.00 H new ATOM 264 N ALA A 19 -8.879 -3.897 5.776 1.00 0.00 N ATOM 265 CA ALA A 19 -7.663 -4.753 5.923 1.00 0.00 C ATOM 266 C ALA A 19 -8.067 -6.219 5.730 1.00 0.00 C ATOM 267 O ALA A 19 -7.419 -7.124 6.216 1.00 0.00 O ATOM 268 CB ALA A 19 -7.095 -4.560 7.332 1.00 0.00 C ATOM 0 H ALA A 19 -9.548 -3.973 6.542 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.911 -4.479 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.206 -5.179 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.830 -3.513 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.844 -4.851 8.069 1.00 0.00 H new ATOM 274 N SER A 20 -9.144 -6.457 5.027 1.00 0.00 N ATOM 275 CA SER A 20 -9.606 -7.858 4.805 1.00 0.00 C ATOM 276 C SER A 20 -8.859 -8.480 3.621 1.00 0.00 C ATOM 277 O SER A 20 -8.144 -7.811 2.901 1.00 0.00 O ATOM 278 CB SER A 20 -11.106 -7.862 4.500 1.00 0.00 C ATOM 279 OG SER A 20 -11.300 -7.653 3.107 1.00 0.00 O ATOM 0 H SER A 20 -9.725 -5.738 4.596 1.00 0.00 H new ATOM 0 HA SER A 20 -9.406 -8.438 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.548 -8.811 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.607 -7.080 5.071 1.00 0.00 H new ATOM 0 HG SER A 20 -11.995 -6.976 2.972 1.00 0.00 H new ATOM 285 N THR A 21 -9.033 -9.756 3.414 1.00 0.00 N ATOM 286 CA THR A 21 -8.354 -10.439 2.278 1.00 0.00 C ATOM 287 C THR A 21 -8.845 -9.840 0.957 1.00 0.00 C ATOM 288 O THR A 21 -8.070 -9.588 0.056 1.00 0.00 O ATOM 289 CB THR A 21 -8.689 -11.929 2.319 1.00 0.00 C ATOM 290 OG1 THR A 21 -8.488 -12.419 3.637 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.783 -12.686 1.348 1.00 0.00 C ATOM 0 H THR A 21 -9.622 -10.359 3.988 1.00 0.00 H new ATOM 0 HA THR A 21 -7.275 -10.303 2.357 1.00 0.00 H new ATOM 0 HB THR A 21 -9.729 -12.076 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.704 -13.374 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.024 -13.749 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.937 -12.308 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.741 -12.542 1.635 1.00 0.00 H new ATOM 299 N SER A 22 -10.130 -9.619 0.835 1.00 0.00 N ATOM 300 CA SER A 22 -10.688 -9.039 -0.426 1.00 0.00 C ATOM 301 C SER A 22 -11.710 -7.956 -0.066 1.00 0.00 C ATOM 302 O SER A 22 -12.890 -8.091 -0.315 1.00 0.00 O ATOM 303 CB SER A 22 -11.356 -10.153 -1.234 1.00 0.00 C ATOM 304 OG SER A 22 -12.271 -10.853 -0.403 1.00 0.00 O ATOM 0 H SER A 22 -10.821 -9.817 1.559 1.00 0.00 H new ATOM 0 HA SER A 22 -9.893 -8.594 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.877 -9.732 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.602 -10.838 -1.622 1.00 0.00 H new ATOM 0 HG SER A 22 -12.972 -10.239 -0.098 1.00 0.00 H new ATOM 310 N SER A 23 -11.253 -6.881 0.526 1.00 0.00 N ATOM 311 CA SER A 23 -12.179 -5.781 0.921 1.00 0.00 C ATOM 312 C SER A 23 -12.566 -4.944 -0.304 1.00 0.00 C ATOM 313 O SER A 23 -12.177 -5.224 -1.422 1.00 0.00 O ATOM 314 CB SER A 23 -11.498 -4.887 1.969 1.00 0.00 C ATOM 315 OG SER A 23 -11.779 -5.386 3.271 1.00 0.00 O ATOM 0 H SER A 23 -10.272 -6.719 0.753 1.00 0.00 H new ATOM 0 HA SER A 23 -13.084 -6.216 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.421 -4.866 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.856 -3.862 1.876 1.00 0.00 H new ATOM 0 HG SER A 23 -12.101 -4.655 3.839 1.00 0.00 H new ATOM 321 N LYS A 24 -13.346 -3.921 -0.086 1.00 0.00 N ATOM 322 CA LYS A 24 -13.792 -3.050 -1.206 1.00 0.00 C ATOM 323 C LYS A 24 -12.600 -2.346 -1.848 1.00 0.00 C ATOM 324 O LYS A 24 -11.699 -1.878 -1.179 1.00 0.00 O ATOM 325 CB LYS A 24 -14.754 -2.000 -0.658 1.00 0.00 C ATOM 326 CG LYS A 24 -16.053 -2.686 -0.234 1.00 0.00 C ATOM 327 CD LYS A 24 -16.992 -1.671 0.429 1.00 0.00 C ATOM 328 CE LYS A 24 -17.647 -0.778 -0.632 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.750 0.005 -0.006 1.00 0.00 N ATOM 0 H LYS A 24 -13.697 -3.650 0.833 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.283 -3.665 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.305 -1.486 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.958 -1.244 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.539 -3.130 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.835 -3.498 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.760 -2.194 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.434 -1.057 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.907 -0.104 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.036 -1.388 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.196 0.611 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.459 -0.647 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.365 0.597 0.757 1.00 0.00 H new ATOM 343 N VAL A 25 -12.598 -2.257 -3.152 1.00 0.00 N ATOM 344 CA VAL A 25 -11.481 -1.576 -3.865 1.00 0.00 C ATOM 345 C VAL A 25 -11.906 -0.145 -4.201 1.00 0.00 C ATOM 346 O VAL A 25 -12.922 0.078 -4.832 1.00 0.00 O ATOM 347 CB VAL A 25 -11.183 -2.340 -5.157 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.191 -1.551 -6.014 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.585 -3.705 -4.807 1.00 0.00 C ATOM 0 H VAL A 25 -13.329 -2.631 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.589 -1.553 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.107 -2.475 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.984 -2.102 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.617 -0.579 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.263 -1.409 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.371 -4.254 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.662 -3.564 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.296 -4.270 -4.204 1.00 0.00 H new ATOM 359 N ILE A 26 -11.131 0.823 -3.785 1.00 0.00 N ATOM 360 CA ILE A 26 -11.465 2.249 -4.071 1.00 0.00 C ATOM 361 C ILE A 26 -10.552 2.768 -5.181 1.00 0.00 C ATOM 362 O ILE A 26 -10.687 3.885 -5.638 1.00 0.00 O ATOM 363 CB ILE A 26 -11.265 3.074 -2.792 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.828 2.907 -2.282 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.243 2.584 -1.720 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.593 3.849 -1.100 1.00 0.00 C ATOM 0 H ILE A 26 -10.272 0.684 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.502 2.335 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.448 4.126 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.657 1.875 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.120 3.125 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.106 3.166 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.266 2.705 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.055 1.531 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.572 3.730 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.747 4.880 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.292 3.609 -0.299 1.00 0.00 H new ATOM 378 N GLY A 27 -9.620 1.966 -5.623 1.00 0.00 N ATOM 379 CA GLY A 27 -8.709 2.430 -6.702 1.00 0.00 C ATOM 380 C GLY A 27 -7.597 1.404 -6.932 1.00 0.00 C ATOM 381 O GLY A 27 -7.650 0.295 -6.440 1.00 0.00 O ATOM 0 H GLY A 27 -9.453 1.018 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.272 2.580 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.275 3.393 -6.433 1.00 0.00 H new ATOM 385 N SER A 28 -6.589 1.773 -7.678 1.00 0.00 N ATOM 386 CA SER A 28 -5.466 0.827 -7.947 1.00 0.00 C ATOM 387 C SER A 28 -4.195 1.621 -8.242 1.00 0.00 C ATOM 388 O SER A 28 -4.251 2.752 -8.680 1.00 0.00 O ATOM 389 CB SER A 28 -5.809 -0.047 -9.154 1.00 0.00 C ATOM 390 OG SER A 28 -4.703 -0.891 -9.447 1.00 0.00 O ATOM 0 H SER A 28 -6.495 2.691 -8.113 1.00 0.00 H new ATOM 0 HA SER A 28 -5.309 0.194 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.695 -0.647 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.044 0.578 -10.016 1.00 0.00 H new ATOM 0 HG SER A 28 -4.320 -1.231 -8.611 1.00 0.00 H new ATOM 396 N LEU A 29 -3.048 1.031 -8.001 1.00 0.00 N ATOM 397 CA LEU A 29 -1.753 1.738 -8.257 1.00 0.00 C ATOM 398 C LEU A 29 -0.895 0.909 -9.210 1.00 0.00 C ATOM 399 O LEU A 29 -0.997 -0.300 -9.269 1.00 0.00 O ATOM 400 CB LEU A 29 -1.011 1.920 -6.933 1.00 0.00 C ATOM 401 CG LEU A 29 -1.870 2.746 -5.966 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.147 2.854 -4.620 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.112 4.155 -6.540 1.00 0.00 C ATOM 0 H LEU A 29 -2.953 0.083 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.951 2.711 -8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.786 0.948 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.058 2.420 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.833 2.254 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.752 3.440 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.990 1.856 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.183 3.343 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.723 4.731 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.156 4.658 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.629 4.074 -7.496 1.00 0.00 H new ATOM 415 N SER A 30 -0.061 1.564 -9.969 1.00 0.00 N ATOM 416 CA SER A 30 0.800 0.842 -10.943 1.00 0.00 C ATOM 417 C SER A 30 2.004 0.212 -10.235 1.00 0.00 C ATOM 418 O SER A 30 2.298 0.507 -9.094 1.00 0.00 O ATOM 419 CB SER A 30 1.294 1.833 -11.990 1.00 0.00 C ATOM 420 OG SER A 30 2.241 1.192 -12.832 1.00 0.00 O ATOM 0 H SER A 30 0.061 2.577 -9.955 1.00 0.00 H new ATOM 0 HA SER A 30 0.219 0.049 -11.414 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.456 2.203 -12.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.748 2.697 -11.504 1.00 0.00 H new ATOM 0 HG SER A 30 2.560 1.826 -13.508 1.00 0.00 H new ATOM 426 N GLY A 31 2.691 -0.669 -10.913 1.00 0.00 N ATOM 427 CA GLY A 31 3.870 -1.351 -10.306 1.00 0.00 C ATOM 428 C GLY A 31 4.996 -0.354 -10.004 1.00 0.00 C ATOM 429 O GLY A 31 5.070 0.720 -10.569 1.00 0.00 O ATOM 0 H GLY A 31 2.483 -0.948 -11.872 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.569 -1.853 -9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.236 -2.122 -10.984 1.00 0.00 H new ATOM 433 N ASN A 32 5.875 -0.721 -9.105 1.00 0.00 N ATOM 434 CA ASN A 32 7.012 0.170 -8.729 1.00 0.00 C ATOM 435 C ASN A 32 6.473 1.511 -8.234 1.00 0.00 C ATOM 436 O ASN A 32 7.086 2.543 -8.420 1.00 0.00 O ATOM 437 CB ASN A 32 7.930 0.395 -9.937 1.00 0.00 C ATOM 438 CG ASN A 32 8.347 -0.954 -10.526 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.709 -1.859 -9.801 1.00 0.00 O ATOM 440 ND2 ASN A 32 8.316 -1.128 -11.819 1.00 0.00 N ATOM 0 H ASN A 32 5.851 -1.613 -8.610 1.00 0.00 H new ATOM 0 HA ASN A 32 7.586 -0.305 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.415 0.989 -10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.812 0.959 -9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.596 -2.023 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.012 -0.369 -12.429 1.00 0.00 H new ATOM 447 N THR A 33 5.331 1.505 -7.597 1.00 0.00 N ATOM 448 CA THR A 33 4.750 2.780 -7.082 1.00 0.00 C ATOM 449 C THR A 33 5.158 2.972 -5.619 1.00 0.00 C ATOM 450 O THR A 33 5.004 2.090 -4.795 1.00 0.00 O ATOM 451 CB THR A 33 3.224 2.725 -7.202 1.00 0.00 C ATOM 452 OG1 THR A 33 2.869 2.763 -8.577 1.00 0.00 O ATOM 453 CG2 THR A 33 2.598 3.921 -6.479 1.00 0.00 C ATOM 0 H THR A 33 4.775 0.670 -7.411 1.00 0.00 H new ATOM 0 HA THR A 33 5.124 3.620 -7.667 1.00 0.00 H new ATOM 0 HB THR A 33 2.856 1.805 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.263 2.019 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.513 3.874 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.876 3.895 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.959 4.847 -6.927 1.00 0.00 H new ATOM 461 N LYS A 34 5.685 4.122 -5.295 1.00 0.00 N ATOM 462 CA LYS A 34 6.115 4.389 -3.894 1.00 0.00 C ATOM 463 C LYS A 34 4.912 4.830 -3.057 1.00 0.00 C ATOM 464 O LYS A 34 4.147 5.682 -3.463 1.00 0.00 O ATOM 465 CB LYS A 34 7.163 5.504 -3.907 1.00 0.00 C ATOM 466 CG LYS A 34 7.667 5.760 -2.486 1.00 0.00 C ATOM 467 CD LYS A 34 8.784 6.806 -2.524 1.00 0.00 C ATOM 468 CE LYS A 34 9.313 7.041 -1.109 1.00 0.00 C ATOM 469 NZ LYS A 34 8.201 7.509 -0.232 1.00 0.00 N ATOM 0 H LYS A 34 5.837 4.893 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 34 6.537 3.483 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.996 5.225 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.731 6.416 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.849 6.108 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.036 4.833 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.591 6.468 -3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.408 7.740 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.740 6.120 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.112 7.782 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.596 7.969 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.611 8.189 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.620 6.696 0.055 1.00 0.00 H new ATOM 483 N VAL A 35 4.745 4.258 -1.885 1.00 0.00 N ATOM 484 CA VAL A 35 3.594 4.641 -1.003 1.00 0.00 C ATOM 485 C VAL A 35 4.116 5.011 0.385 1.00 0.00 C ATOM 486 O VAL A 35 4.951 4.332 0.952 1.00 0.00 O ATOM 487 CB VAL A 35 2.613 3.469 -0.904 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.797 3.381 -2.197 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.389 2.162 -0.709 1.00 0.00 C ATOM 0 H VAL A 35 5.359 3.540 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 35 3.076 5.501 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 35 1.947 3.626 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.098 2.548 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.243 4.309 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.469 3.224 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.688 1.330 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.056 2.005 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.976 2.221 0.208 1.00 0.00 H new ATOM 499 N THR A 36 3.635 6.095 0.930 1.00 0.00 N ATOM 500 CA THR A 36 4.101 6.533 2.272 1.00 0.00 C ATOM 501 C THR A 36 3.415 5.702 3.352 1.00 0.00 C ATOM 502 O THR A 36 2.206 5.569 3.368 1.00 0.00 O ATOM 503 CB THR A 36 3.747 8.007 2.463 1.00 0.00 C ATOM 504 OG1 THR A 36 4.261 8.758 1.373 1.00 0.00 O ATOM 505 CG2 THR A 36 4.353 8.521 3.769 1.00 0.00 C ATOM 0 H THR A 36 2.935 6.698 0.499 1.00 0.00 H new ATOM 0 HA THR A 36 5.180 6.397 2.348 1.00 0.00 H new ATOM 0 HB THR A 36 2.663 8.116 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.034 9.704 1.492 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.097 9.572 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.957 7.945 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.437 8.413 3.734 1.00 0.00 H new ATOM 513 N ILE A 37 4.179 5.148 4.262 1.00 0.00 N ATOM 514 CA ILE A 37 3.588 4.322 5.358 1.00 0.00 C ATOM 515 C ILE A 37 3.645 5.097 6.671 1.00 0.00 C ATOM 516 O ILE A 37 4.691 5.554 7.094 1.00 0.00 O ATOM 517 CB ILE A 37 4.394 3.029 5.502 1.00 0.00 C ATOM 518 CG1 ILE A 37 4.243 2.197 4.228 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.877 2.229 6.703 1.00 0.00 C ATOM 520 CD1 ILE A 37 5.257 1.052 4.238 1.00 0.00 C ATOM 0 H ILE A 37 5.195 5.234 4.291 1.00 0.00 H new ATOM 0 HA ILE A 37 2.550 4.089 5.119 1.00 0.00 H new ATOM 0 HB ILE A 37 5.445 3.271 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.231 1.799 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.398 2.825 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.453 1.309 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.984 2.824 7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.826 1.984 6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.147 0.461 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.266 1.460 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.081 0.418 5.107 1.00 0.00 H new ATOM 532 N VAL A 38 2.514 5.235 7.319 1.00 0.00 N ATOM 533 CA VAL A 38 2.447 5.963 8.620 1.00 0.00 C ATOM 534 C VAL A 38 1.961 4.988 9.693 1.00 0.00 C ATOM 535 O VAL A 38 1.675 5.367 10.810 1.00 0.00 O ATOM 536 CB VAL A 38 1.466 7.131 8.492 1.00 0.00 C ATOM 537 CG1 VAL A 38 2.027 8.153 7.500 1.00 0.00 C ATOM 538 CG2 VAL A 38 0.121 6.616 7.974 1.00 0.00 C ATOM 0 H VAL A 38 1.620 4.867 6.994 1.00 0.00 H new ATOM 0 HA VAL A 38 3.428 6.352 8.892 1.00 0.00 H new ATOM 0 HB VAL A 38 1.327 7.598 9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.332 8.987 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.988 8.520 7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.161 7.680 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.577 7.448 7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.261 6.152 6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.280 5.881 8.672 1.00 0.00 H new ATOM 548 N GLY A 39 1.867 3.728 9.355 1.00 0.00 N ATOM 549 CA GLY A 39 1.398 2.724 10.349 1.00 0.00 C ATOM 550 C GLY A 39 1.543 1.318 9.765 1.00 0.00 C ATOM 551 O GLY A 39 1.894 1.152 8.613 1.00 0.00 O ATOM 0 H GLY A 39 2.095 3.354 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.978 2.809 11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.357 2.915 10.610 1.00 0.00 H new ATOM 555 N GLU A 40 1.278 0.300 10.553 1.00 0.00 N ATOM 556 CA GLU A 40 1.406 -1.105 10.051 1.00 0.00 C ATOM 557 C GLU A 40 0.194 -1.927 10.490 1.00 0.00 C ATOM 558 O GLU A 40 -0.461 -1.613 11.463 1.00 0.00 O ATOM 559 CB GLU A 40 2.689 -1.734 10.607 1.00 0.00 C ATOM 560 CG GLU A 40 2.640 -1.770 12.137 1.00 0.00 C ATOM 561 CD GLU A 40 3.941 -2.377 12.666 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.480 -3.245 12.000 1.00 0.00 O ATOM 563 OE2 GLU A 40 4.378 -1.960 13.726 1.00 0.00 O ATOM 0 H GLU A 40 0.978 0.384 11.524 1.00 0.00 H new ATOM 0 HA GLU A 40 1.452 -1.094 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.806 -2.745 10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.556 -1.162 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.507 -0.763 12.533 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.787 -2.360 12.472 1.00 0.00 H new ATOM 570 N GLU A 41 -0.106 -2.976 9.768 1.00 0.00 N ATOM 571 CA GLU A 41 -1.278 -3.834 10.116 1.00 0.00 C ATOM 572 C GLU A 41 -0.911 -5.307 9.938 1.00 0.00 C ATOM 573 O GLU A 41 -0.033 -5.653 9.174 1.00 0.00 O ATOM 574 CB GLU A 41 -2.457 -3.481 9.209 1.00 0.00 C ATOM 575 CG GLU A 41 -3.004 -2.100 9.575 1.00 0.00 C ATOM 576 CD GLU A 41 -3.614 -2.143 10.978 1.00 0.00 C ATOM 577 OE1 GLU A 41 -3.955 -3.227 11.421 1.00 0.00 O ATOM 578 OE2 GLU A 41 -3.726 -1.091 11.585 1.00 0.00 O ATOM 0 H GLU A 41 0.416 -3.277 8.945 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.558 -3.659 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.140 -3.491 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.242 -4.231 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.205 -1.360 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.757 -1.792 8.850 1.00 0.00 H new ATOM 585 N GLY A 42 -1.569 -6.171 10.662 1.00 0.00 N ATOM 586 CA GLY A 42 -1.262 -7.626 10.566 1.00 0.00 C ATOM 587 C GLY A 42 -1.588 -8.158 9.167 1.00 0.00 C ATOM 588 O GLY A 42 -2.736 -8.307 8.802 1.00 0.00 O ATOM 0 H GLY A 42 -2.310 -5.930 11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.209 -7.796 10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.838 -8.174 11.312 1.00 0.00 H new ATOM 592 N ALA A 43 -0.576 -8.455 8.391 1.00 0.00 N ATOM 593 CA ALA A 43 -0.787 -8.991 7.014 1.00 0.00 C ATOM 594 C ALA A 43 -1.096 -7.830 6.065 1.00 0.00 C ATOM 595 O ALA A 43 -1.373 -8.022 4.898 1.00 0.00 O ATOM 596 CB ALA A 43 -1.937 -10.019 7.013 1.00 0.00 C ATOM 0 H ALA A 43 0.402 -8.346 8.659 1.00 0.00 H new ATOM 0 HA ALA A 43 0.117 -9.497 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.081 -10.403 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.689 -10.843 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.855 -9.539 7.353 1.00 0.00 H new ATOM 602 N PHE A 44 -1.045 -6.621 6.561 1.00 0.00 N ATOM 603 CA PHE A 44 -1.331 -5.443 5.696 1.00 0.00 C ATOM 604 C PHE A 44 -0.528 -4.241 6.181 1.00 0.00 C ATOM 605 O PHE A 44 -0.088 -4.195 7.311 1.00 0.00 O ATOM 606 CB PHE A 44 -2.822 -5.117 5.761 1.00 0.00 C ATOM 607 CG PHE A 44 -3.610 -6.225 5.113 1.00 0.00 C ATOM 608 CD1 PHE A 44 -4.025 -7.318 5.877 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.929 -6.156 3.753 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.762 -8.347 5.282 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.666 -7.184 3.155 1.00 0.00 C ATOM 612 CZ PHE A 44 -5.084 -8.279 3.921 1.00 0.00 C ATOM 0 H PHE A 44 -0.817 -6.401 7.530 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.050 -5.673 4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.133 -4.995 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.020 -4.172 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.777 -7.369 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.607 -5.310 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.082 -9.193 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.912 -7.133 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.655 -9.072 3.462 1.00 0.00 H new ATOM 622 N TYR A 45 -0.337 -3.267 5.326 1.00 0.00 N ATOM 623 CA TYR A 45 0.429 -2.043 5.712 1.00 0.00 C ATOM 624 C TYR A 45 -0.482 -0.827 5.604 1.00 0.00 C ATOM 625 O TYR A 45 -1.360 -0.764 4.759 1.00 0.00 O ATOM 626 CB TYR A 45 1.629 -1.866 4.777 1.00 0.00 C ATOM 627 CG TYR A 45 2.729 -2.822 5.180 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.352 -2.681 6.427 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.126 -3.846 4.312 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.370 -3.561 6.805 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.146 -4.727 4.690 1.00 0.00 C ATOM 632 CZ TYR A 45 4.767 -4.584 5.938 1.00 0.00 C ATOM 633 OH TYR A 45 5.772 -5.451 6.310 1.00 0.00 O ATOM 0 H TYR A 45 -0.683 -3.269 4.367 1.00 0.00 H new ATOM 0 HA TYR A 45 0.786 -2.147 6.737 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.330 -2.053 3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.991 -0.839 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.045 -1.891 7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.646 -3.956 3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.850 -3.451 7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.454 -5.516 4.020 1.00 0.00 H new ATOM 0 HH TYR A 45 5.924 -6.102 5.594 1.00 0.00 H new ATOM 643 N LYS A 46 -0.273 0.145 6.452 1.00 0.00 N ATOM 644 CA LYS A 46 -1.113 1.371 6.410 1.00 0.00 C ATOM 645 C LYS A 46 -0.443 2.403 5.503 1.00 0.00 C ATOM 646 O LYS A 46 0.653 2.854 5.771 1.00 0.00 O ATOM 647 CB LYS A 46 -1.243 1.932 7.835 1.00 0.00 C ATOM 648 CG LYS A 46 -2.502 2.800 7.948 1.00 0.00 C ATOM 649 CD LYS A 46 -2.384 4.012 7.013 1.00 0.00 C ATOM 650 CE LYS A 46 -3.339 5.116 7.474 1.00 0.00 C ATOM 651 NZ LYS A 46 -4.589 4.498 7.993 1.00 0.00 N ATOM 0 H LYS A 46 0.447 0.140 7.174 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.104 1.139 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.291 1.113 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.361 2.523 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.384 2.214 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.633 3.134 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.359 4.383 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.619 3.718 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.868 5.719 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.567 5.785 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.298 5.240 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.958 3.822 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.386 4.000 8.883 1.00 0.00 H new ATOM 665 N ILE A 47 -1.101 2.782 4.435 1.00 0.00 N ATOM 666 CA ILE A 47 -0.523 3.792 3.496 1.00 0.00 C ATOM 667 C ILE A 47 -1.517 4.928 3.288 1.00 0.00 C ATOM 668 O ILE A 47 -2.714 4.759 3.414 1.00 0.00 O ATOM 669 CB ILE A 47 -0.210 3.122 2.156 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.466 2.437 1.604 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.898 2.088 2.361 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.202 1.973 0.171 1.00 0.00 C ATOM 0 H ILE A 47 -2.022 2.431 4.172 1.00 0.00 H new ATOM 0 HA ILE A 47 0.396 4.197 3.919 1.00 0.00 H new ATOM 0 HB ILE A 47 0.119 3.876 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.735 1.586 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.309 3.127 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.127 1.606 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.792 2.583 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.567 1.337 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.094 1.486 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.954 2.834 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.370 1.269 0.164 1.00 0.00 H new ATOM 684 N GLU A 48 -1.022 6.093 2.973 1.00 0.00 N ATOM 685 CA GLU A 48 -1.925 7.254 2.759 1.00 0.00 C ATOM 686 C GLU A 48 -2.414 7.263 1.313 1.00 0.00 C ATOM 687 O GLU A 48 -1.634 7.383 0.387 1.00 0.00 O ATOM 688 CB GLU A 48 -1.159 8.545 3.048 1.00 0.00 C ATOM 689 CG GLU A 48 -2.094 9.742 2.877 1.00 0.00 C ATOM 690 CD GLU A 48 -1.357 11.026 3.265 1.00 0.00 C ATOM 691 OE1 GLU A 48 -0.311 10.920 3.885 1.00 0.00 O ATOM 692 OE2 GLU A 48 -1.852 12.091 2.937 1.00 0.00 O ATOM 0 H GLU A 48 -0.028 6.289 2.855 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.783 7.179 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.759 8.524 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.309 8.635 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.436 9.805 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.980 9.617 3.499 1.00 0.00 H new ATOM 699 N TYR A 49 -3.703 7.145 1.113 1.00 0.00 N ATOM 700 CA TYR A 49 -4.269 7.154 -0.269 1.00 0.00 C ATOM 701 C TYR A 49 -5.078 8.438 -0.461 1.00 0.00 C ATOM 702 O TYR A 49 -6.013 8.701 0.269 1.00 0.00 O ATOM 703 CB TYR A 49 -5.184 5.944 -0.443 1.00 0.00 C ATOM 704 CG TYR A 49 -5.751 5.944 -1.840 1.00 0.00 C ATOM 705 CD1 TYR A 49 -4.951 5.544 -2.918 1.00 0.00 C ATOM 706 CD2 TYR A 49 -7.075 6.342 -2.061 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.475 5.543 -4.215 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.599 6.342 -3.359 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.799 5.942 -4.436 1.00 0.00 C ATOM 710 OH TYR A 49 -7.314 5.941 -5.715 1.00 0.00 O ATOM 0 H TYR A 49 -4.393 7.042 1.857 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.466 7.110 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.627 5.024 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.991 5.976 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.930 5.236 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.692 6.649 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.858 5.234 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.620 6.650 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.246 6.244 -5.693 1.00 0.00 H new ATOM 720 N LYS A 50 -4.718 9.233 -1.438 1.00 0.00 N ATOM 721 CA LYS A 50 -5.447 10.516 -1.697 1.00 0.00 C ATOM 722 C LYS A 50 -5.816 11.195 -0.373 1.00 0.00 C ATOM 723 O LYS A 50 -5.061 11.984 0.164 1.00 0.00 O ATOM 724 CB LYS A 50 -6.720 10.226 -2.497 1.00 0.00 C ATOM 725 CG LYS A 50 -7.462 11.540 -2.771 1.00 0.00 C ATOM 726 CD LYS A 50 -8.675 11.275 -3.672 1.00 0.00 C ATOM 727 CE LYS A 50 -9.782 10.566 -2.882 1.00 0.00 C ATOM 728 NZ LYS A 50 -11.065 10.671 -3.631 1.00 0.00 N ATOM 0 H LYS A 50 -3.943 9.047 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.799 11.183 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.468 9.736 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.363 9.542 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.786 11.988 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.791 12.254 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.051 12.216 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.377 10.663 -4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.522 9.519 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.886 11.016 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.818 10.191 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.313 11.673 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.961 10.222 -4.563 1.00 0.00 H new ATOM 742 N GLY A 51 -6.978 10.892 0.152 1.00 0.00 N ATOM 743 CA GLY A 51 -7.429 11.500 1.441 1.00 0.00 C ATOM 744 C GLY A 51 -7.908 10.386 2.374 1.00 0.00 C ATOM 745 O GLY A 51 -7.944 10.546 3.576 1.00 0.00 O ATOM 0 H GLY A 51 -7.642 10.240 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.611 12.053 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.234 12.212 1.260 1.00 0.00 H new ATOM 749 N SER A 52 -8.285 9.257 1.828 1.00 0.00 N ATOM 750 CA SER A 52 -8.777 8.134 2.681 1.00 0.00 C ATOM 751 C SER A 52 -7.618 7.211 3.076 1.00 0.00 C ATOM 752 O SER A 52 -6.555 7.233 2.485 1.00 0.00 O ATOM 753 CB SER A 52 -9.824 7.331 1.906 1.00 0.00 C ATOM 754 OG SER A 52 -11.039 8.067 1.867 1.00 0.00 O ATOM 0 H SER A 52 -8.273 9.065 0.826 1.00 0.00 H new ATOM 0 HA SER A 52 -9.220 8.548 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.472 7.132 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.985 6.364 2.383 1.00 0.00 H new ATOM 0 HG SER A 52 -11.714 7.559 1.370 1.00 0.00 H new ATOM 760 N HIS A 53 -7.825 6.393 4.074 1.00 0.00 N ATOM 761 CA HIS A 53 -6.753 5.462 4.520 1.00 0.00 C ATOM 762 C HIS A 53 -6.769 4.212 3.640 1.00 0.00 C ATOM 763 O HIS A 53 -7.702 3.434 3.662 1.00 0.00 O ATOM 764 CB HIS A 53 -7.011 5.076 5.976 1.00 0.00 C ATOM 765 CG HIS A 53 -6.944 6.311 6.835 1.00 0.00 C ATOM 766 ND1 HIS A 53 -7.516 6.366 8.096 1.00 0.00 N ATOM 767 CD2 HIS A 53 -6.382 7.550 6.625 1.00 0.00 C ATOM 768 CE1 HIS A 53 -7.289 7.598 8.591 1.00 0.00 C ATOM 769 NE2 HIS A 53 -6.602 8.358 7.735 1.00 0.00 N ATOM 0 H HIS A 53 -8.696 6.331 4.601 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.779 5.944 4.436 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.989 4.604 6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.272 4.347 6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.851 7.849 5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.622 7.931 9.563 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.303 9.324 7.867 1.00 0.00 H new ATOM 777 N GLY A 54 -5.737 4.018 2.857 1.00 0.00 N ATOM 778 CA GLY A 54 -5.676 2.824 1.960 1.00 0.00 C ATOM 779 C GLY A 54 -4.821 1.734 2.604 1.00 0.00 C ATOM 780 O GLY A 54 -3.815 2.012 3.227 1.00 0.00 O ATOM 0 H GLY A 54 -4.930 4.639 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.681 2.447 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.256 3.105 0.994 1.00 0.00 H new ATOM 784 N TYR A 55 -5.215 0.493 2.451 1.00 0.00 N ATOM 785 CA TYR A 55 -4.434 -0.641 3.040 1.00 0.00 C ATOM 786 C TYR A 55 -3.994 -1.587 1.926 1.00 0.00 C ATOM 787 O TYR A 55 -4.743 -1.868 1.009 1.00 0.00 O ATOM 788 CB TYR A 55 -5.317 -1.396 4.031 1.00 0.00 C ATOM 789 CG TYR A 55 -5.641 -0.488 5.191 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.728 0.391 5.109 1.00 0.00 C ATOM 791 CD2 TYR A 55 -4.855 -0.526 6.346 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.026 1.234 6.185 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.153 0.317 7.423 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.239 1.197 7.343 1.00 0.00 C ATOM 795 OH TYR A 55 -6.533 2.026 8.406 1.00 0.00 O ATOM 0 H TYR A 55 -6.052 0.214 1.939 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.554 -0.254 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.234 -1.725 3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.805 -2.291 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.335 0.418 4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.018 -1.206 6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.863 1.913 6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.545 0.289 8.315 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.889 1.872 9.129 1.00 0.00 H new ATOM 805 N VAL A 56 -2.781 -2.082 2.001 1.00 0.00 N ATOM 806 CA VAL A 56 -2.275 -3.022 0.948 1.00 0.00 C ATOM 807 C VAL A 56 -1.620 -4.234 1.616 1.00 0.00 C ATOM 808 O VAL A 56 -0.909 -4.109 2.593 1.00 0.00 O ATOM 809 CB VAL A 56 -1.257 -2.298 0.065 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.992 -1.326 -0.861 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.282 -1.518 0.947 1.00 0.00 C ATOM 0 H VAL A 56 -2.118 -1.875 2.748 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.107 -3.361 0.330 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.706 -3.026 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.270 -0.808 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.691 -1.879 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.540 -0.598 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.444 -1.002 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.832 -0.788 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.239 -2.207 1.612 1.00 0.00 H new ATOM 821 N ALA A 57 -1.874 -5.406 1.102 1.00 0.00 N ATOM 822 CA ALA A 57 -1.294 -6.639 1.705 1.00 0.00 C ATOM 823 C ALA A 57 0.237 -6.601 1.655 1.00 0.00 C ATOM 824 O ALA A 57 0.830 -6.116 0.711 1.00 0.00 O ATOM 825 CB ALA A 57 -1.798 -7.858 0.936 1.00 0.00 C ATOM 0 H ALA A 57 -2.463 -5.563 0.284 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.604 -6.699 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.377 -8.763 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.886 -7.900 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.492 -7.782 -0.107 1.00 0.00 H new ATOM 831 N LYS A 58 0.877 -7.119 2.671 1.00 0.00 N ATOM 832 CA LYS A 58 2.368 -7.128 2.705 1.00 0.00 C ATOM 833 C LYS A 58 2.909 -8.049 1.607 1.00 0.00 C ATOM 834 O LYS A 58 4.087 -8.050 1.308 1.00 0.00 O ATOM 835 CB LYS A 58 2.835 -7.635 4.072 1.00 0.00 C ATOM 836 CG LYS A 58 2.086 -8.921 4.423 1.00 0.00 C ATOM 837 CD LYS A 58 2.793 -9.628 5.584 1.00 0.00 C ATOM 838 CE LYS A 58 2.939 -8.666 6.767 1.00 0.00 C ATOM 839 NZ LYS A 58 3.254 -9.437 8.004 1.00 0.00 N ATOM 0 H LYS A 58 0.426 -7.539 3.484 1.00 0.00 H new ATOM 0 HA LYS A 58 2.741 -6.117 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.909 -7.820 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.654 -6.877 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.056 -8.691 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.045 -9.578 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.224 -10.507 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.775 -9.978 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.730 -7.944 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.018 -8.100 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.353 -8.782 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.485 -10.110 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.144 -9.958 7.871 1.00 0.00 H new ATOM 853 N GLU A 59 2.062 -8.839 1.012 1.00 0.00 N ATOM 854 CA GLU A 59 2.525 -9.767 -0.056 1.00 0.00 C ATOM 855 C GLU A 59 2.981 -8.975 -1.286 1.00 0.00 C ATOM 856 O GLU A 59 3.915 -9.355 -1.963 1.00 0.00 O ATOM 857 CB GLU A 59 1.369 -10.687 -0.446 1.00 0.00 C ATOM 858 CG GLU A 59 1.861 -11.774 -1.405 1.00 0.00 C ATOM 859 CD GLU A 59 2.766 -12.749 -0.652 1.00 0.00 C ATOM 860 OE1 GLU A 59 2.847 -12.637 0.561 1.00 0.00 O ATOM 861 OE2 GLU A 59 3.365 -13.592 -1.299 1.00 0.00 O ATOM 0 H GLU A 59 1.064 -8.882 1.220 1.00 0.00 H new ATOM 0 HA GLU A 59 3.365 -10.354 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.942 -11.145 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.576 -10.107 -0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.012 -12.307 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.406 -11.323 -2.234 1.00 0.00 H new ATOM 868 N TYR A 60 2.318 -7.892 -1.595 1.00 0.00 N ATOM 869 CA TYR A 60 2.704 -7.096 -2.798 1.00 0.00 C ATOM 870 C TYR A 60 3.631 -5.950 -2.387 1.00 0.00 C ATOM 871 O TYR A 60 4.144 -5.231 -3.223 1.00 0.00 O ATOM 872 CB TYR A 60 1.437 -6.523 -3.431 1.00 0.00 C ATOM 873 CG TYR A 60 0.472 -7.651 -3.717 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.787 -8.612 -4.684 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.733 -7.746 -3.005 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.100 -9.663 -4.945 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.619 -8.799 -3.265 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.303 -9.757 -4.235 1.00 0.00 C ATOM 879 OH TYR A 60 -2.174 -10.796 -4.491 1.00 0.00 O ATOM 0 H TYR A 60 1.527 -7.524 -1.067 1.00 0.00 H new ATOM 0 HA TYR A 60 3.225 -7.735 -3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.978 -5.796 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.683 -5.996 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.716 -8.543 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.977 -7.007 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.144 -10.402 -5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.547 -8.872 -2.717 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.960 -10.714 -3.912 1.00 0.00 H new ATOM 889 N ILE A 61 3.853 -5.778 -1.105 1.00 0.00 N ATOM 890 CA ILE A 61 4.749 -4.677 -0.625 1.00 0.00 C ATOM 891 C ILE A 61 6.033 -5.278 -0.065 1.00 0.00 C ATOM 892 O ILE A 61 6.004 -6.173 0.755 1.00 0.00 O ATOM 893 CB ILE A 61 4.035 -3.886 0.473 1.00 0.00 C ATOM 894 CG1 ILE A 61 2.670 -3.401 -0.042 1.00 0.00 C ATOM 895 CG2 ILE A 61 4.891 -2.686 0.881 1.00 0.00 C ATOM 896 CD1 ILE A 61 2.831 -2.633 -1.362 1.00 0.00 C ATOM 0 H ILE A 61 3.450 -6.356 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 61 4.990 -4.013 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 61 3.882 -4.529 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.007 -4.254 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.201 -2.759 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.381 -2.124 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.853 -3.036 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.050 -2.042 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.854 -2.298 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.475 -1.768 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.278 -3.287 -2.111 1.00 0.00 H new ATOM 908 N LYS A 62 7.166 -4.794 -0.512 1.00 0.00 N ATOM 909 CA LYS A 62 8.467 -5.339 -0.019 1.00 0.00 C ATOM 910 C LYS A 62 9.475 -4.206 0.179 1.00 0.00 C ATOM 911 O LYS A 62 9.225 -3.067 -0.171 1.00 0.00 O ATOM 912 CB LYS A 62 9.015 -6.344 -1.036 1.00 0.00 C ATOM 913 CG LYS A 62 9.399 -5.623 -2.334 1.00 0.00 C ATOM 914 CD LYS A 62 9.760 -6.654 -3.412 1.00 0.00 C ATOM 915 CE LYS A 62 11.069 -7.364 -3.050 1.00 0.00 C ATOM 916 NZ LYS A 62 11.595 -8.074 -4.252 1.00 0.00 N ATOM 0 H LYS A 62 7.245 -4.044 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 62 8.305 -5.836 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.885 -6.854 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.266 -7.109 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.571 -5.001 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.244 -4.958 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.957 -7.384 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.861 -6.160 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.801 -6.640 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.899 -8.073 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.484 -8.557 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.897 -8.775 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.771 -7.386 -5.012 1.00 0.00 H new ATOM 930 N ASP A 63 10.614 -4.535 0.740 1.00 0.00 N ATOM 931 CA ASP A 63 11.686 -3.522 0.982 1.00 0.00 C ATOM 932 C ASP A 63 11.330 -2.675 2.204 1.00 0.00 C ATOM 933 O ASP A 63 11.935 -2.797 3.250 1.00 0.00 O ATOM 934 CB ASP A 63 11.851 -2.616 -0.254 1.00 0.00 C ATOM 935 CG ASP A 63 13.269 -2.032 -0.286 1.00 0.00 C ATOM 936 OD1 ASP A 63 13.942 -2.109 0.728 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.653 -1.517 -1.324 1.00 0.00 O ATOM 0 H ASP A 63 10.848 -5.480 1.045 1.00 0.00 H new ATOM 0 HA ASP A 63 12.627 -4.040 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.663 -3.188 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.117 -1.811 -0.226 1.00 0.00 H new ATOM 942 N ILE A 64 10.361 -1.812 2.071 1.00 0.00 N ATOM 943 CA ILE A 64 9.955 -0.941 3.210 1.00 0.00 C ATOM 944 C ILE A 64 11.130 -0.048 3.608 1.00 0.00 C ATOM 945 O ILE A 64 11.597 -0.082 4.730 1.00 0.00 O ATOM 946 CB ILE A 64 9.518 -1.796 4.404 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.540 -2.873 3.923 1.00 0.00 C ATOM 948 CG2 ILE A 64 8.812 -0.903 5.430 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.173 -3.793 5.088 1.00 0.00 C ATOM 0 H ILE A 64 9.828 -1.672 1.213 1.00 0.00 H new ATOM 0 HA ILE A 64 9.114 -0.320 2.904 1.00 0.00 H new ATOM 0 HB ILE A 64 10.391 -2.265 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.642 -2.407 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.990 -3.453 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.498 -1.506 6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.497 -0.125 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.938 -0.442 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.477 -4.558 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.074 -4.270 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.705 -3.208 5.880 1.00 0.00 H new ATOM 961 N LYS A 65 11.606 0.758 2.693 1.00 0.00 N ATOM 962 CA LYS A 65 12.752 1.668 3.005 1.00 0.00 C ATOM 963 C LYS A 65 12.553 3.007 2.291 1.00 0.00 C ATOM 964 O LYS A 65 12.194 3.056 1.132 1.00 0.00 O ATOM 965 CB LYS A 65 14.063 1.026 2.543 1.00 0.00 C ATOM 966 CG LYS A 65 15.234 1.950 2.889 1.00 0.00 C ATOM 967 CD LYS A 65 16.552 1.273 2.515 1.00 0.00 C ATOM 968 CE LYS A 65 17.718 2.193 2.879 1.00 0.00 C ATOM 969 NZ LYS A 65 17.693 3.397 2.000 1.00 0.00 N ATOM 0 H LYS A 65 11.250 0.826 1.740 1.00 0.00 H new ATOM 0 HA LYS A 65 12.796 1.836 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.196 0.057 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.033 0.846 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.135 2.895 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.223 2.184 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.647 0.323 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.569 1.051 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.647 2.491 3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.664 1.663 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.622 3.863 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.474 3.110 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.965 4.058 2.338 1.00 0.00 H new ATOM 983 N ASP A 66 12.787 4.090 2.977 1.00 0.00 N ATOM 984 CA ASP A 66 12.614 5.427 2.345 1.00 0.00 C ATOM 985 C ASP A 66 13.674 5.632 1.259 1.00 0.00 C ATOM 986 O ASP A 66 14.841 5.353 1.453 1.00 0.00 O ATOM 987 CB ASP A 66 12.744 6.508 3.420 1.00 0.00 C ATOM 988 CG ASP A 66 12.511 7.884 2.797 1.00 0.00 C ATOM 989 OD1 ASP A 66 12.411 7.955 1.585 1.00 0.00 O ATOM 990 OD2 ASP A 66 12.431 8.843 3.547 1.00 0.00 O ATOM 0 H ASP A 66 13.091 4.107 3.950 1.00 0.00 H new ATOM 0 HA ASP A 66 11.628 5.491 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.021 6.331 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.734 6.466 3.874 1.00 0.00 H new ATOM 995 N GLU A 67 13.272 6.113 0.114 1.00 0.00 N ATOM 996 CA GLU A 67 14.245 6.331 -0.990 1.00 0.00 C ATOM 997 C GLU A 67 15.133 7.535 -0.669 1.00 0.00 C ATOM 998 O GLU A 67 14.773 8.667 -0.927 1.00 0.00 O ATOM 999 CB GLU A 67 13.473 6.584 -2.285 1.00 0.00 C ATOM 1000 CG GLU A 67 12.772 5.292 -2.706 1.00 0.00 C ATOM 1001 CD GLU A 67 11.948 5.539 -3.971 1.00 0.00 C ATOM 1002 OE1 GLU A 67 11.942 6.665 -4.440 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.338 4.597 -4.448 1.00 0.00 O ATOM 0 H GLU A 67 12.308 6.365 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 67 14.877 5.451 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.742 7.379 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.152 6.917 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.509 4.510 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.125 4.940 -1.902 1.00 0.00 H new ATOM 1010 N VAL A 68 16.298 7.292 -0.111 1.00 0.00 N ATOM 1011 CA VAL A 68 17.238 8.407 0.238 1.00 0.00 C ATOM 1012 C VAL A 68 18.571 8.193 -0.478 1.00 0.00 C ATOM 1013 O VAL A 68 19.134 7.117 -0.460 1.00 0.00 O ATOM 1014 CB VAL A 68 17.461 8.435 1.750 1.00 0.00 C ATOM 1015 CG1 VAL A 68 16.182 8.920 2.430 1.00 0.00 C ATOM 1016 CG2 VAL A 68 17.806 7.030 2.252 1.00 0.00 C ATOM 0 H VAL A 68 16.640 6.359 0.119 1.00 0.00 H new ATOM 0 HA VAL A 68 16.808 9.357 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 68 18.286 9.108 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.330 8.944 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.939 9.921 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.363 8.241 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.964 7.057 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.986 6.350 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.715 6.681 1.761 1.00 0.00 H new ATOM 1026 N LEU A 69 19.069 9.210 -1.117 1.00 0.00 N ATOM 1027 CA LEU A 69 20.354 9.080 -1.853 1.00 0.00 C ATOM 1028 C LEU A 69 21.532 9.138 -0.880 1.00 0.00 C ATOM 1029 O LEU A 69 21.525 9.878 0.084 1.00 0.00 O ATOM 1030 CB LEU A 69 20.460 10.221 -2.869 1.00 0.00 C ATOM 1031 CG LEU A 69 19.612 9.900 -4.112 1.00 0.00 C ATOM 1032 CD1 LEU A 69 20.235 8.739 -4.920 1.00 0.00 C ATOM 1033 CD2 LEU A 69 18.189 9.527 -3.670 1.00 0.00 C ATOM 0 H LEU A 69 18.638 10.133 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 69 20.381 8.120 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 69 20.120 11.153 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.501 10.367 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 69 19.581 10.780 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.617 8.531 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 69 21.238 9.018 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 69 20.290 7.848 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.584 9.299 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.227 8.654 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.745 10.363 -3.130 1.00 0.00 H new ATOM 1045 N GLU A 70 22.547 8.362 -1.137 1.00 0.00 N ATOM 1046 CA GLU A 70 23.734 8.363 -0.245 1.00 0.00 C ATOM 1047 C GLU A 70 24.947 7.851 -1.027 1.00 0.00 C ATOM 1048 O GLU A 70 25.025 6.691 -1.379 1.00 0.00 O ATOM 1049 CB GLU A 70 23.460 7.457 0.956 1.00 0.00 C ATOM 1050 CG GLU A 70 24.655 7.494 1.909 1.00 0.00 C ATOM 1051 CD GLU A 70 24.340 6.661 3.154 1.00 0.00 C ATOM 1052 OE1 GLU A 70 23.175 6.360 3.359 1.00 0.00 O ATOM 1053 OE2 GLU A 70 25.266 6.341 3.879 1.00 0.00 O ATOM 0 H GLU A 70 22.604 7.725 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 70 23.937 9.373 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 70 22.559 7.785 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 70 23.281 6.435 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.543 7.103 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 70 24.876 8.523 2.193 1.00 0.00 H new ATOM 1060 N HIS A 71 25.884 8.715 -1.308 1.00 0.00 N ATOM 1061 CA HIS A 71 27.091 8.297 -2.075 1.00 0.00 C ATOM 1062 C HIS A 71 28.037 7.511 -1.165 1.00 0.00 C ATOM 1063 O HIS A 71 28.172 6.309 -1.278 1.00 0.00 O ATOM 1064 CB HIS A 71 27.813 9.543 -2.586 1.00 0.00 C ATOM 1065 CG HIS A 71 26.984 10.215 -3.646 1.00 0.00 C ATOM 1066 ND1 HIS A 71 25.872 10.982 -3.338 1.00 0.00 N ATOM 1067 CD2 HIS A 71 27.101 10.257 -5.014 1.00 0.00 C ATOM 1068 CE1 HIS A 71 25.367 11.448 -4.495 1.00 0.00 C ATOM 1069 NE2 HIS A 71 26.078 11.036 -5.548 1.00 0.00 N ATOM 0 H HIS A 71 25.865 9.698 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 71 26.788 7.668 -2.912 1.00 0.00 H new ATOM 0 HB2 HIS A 71 27.994 10.233 -1.762 1.00 0.00 H new ATOM 0 HB3 HIS A 71 28.787 9.269 -2.992 1.00 0.00 H new ATOM 0 HD2 HIS A 71 27.870 9.761 -5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 71 24.493 12.079 -4.564 1.00 0.00 H new ATOM 0 HE2 HIS A 71 25.908 11.247 -6.531 1.00 0.00 H new ATOM 1077 N HIS A 72 28.707 8.187 -0.272 1.00 0.00 N ATOM 1078 CA HIS A 72 29.659 7.490 0.636 1.00 0.00 C ATOM 1079 C HIS A 72 28.906 6.875 1.817 1.00 0.00 C ATOM 1080 O HIS A 72 28.085 7.512 2.449 1.00 0.00 O ATOM 1081 CB HIS A 72 30.691 8.494 1.151 1.00 0.00 C ATOM 1082 CG HIS A 72 31.459 9.054 -0.013 1.00 0.00 C ATOM 1083 ND1 HIS A 72 32.424 8.318 -0.683 1.00 0.00 N ATOM 1084 CD2 HIS A 72 31.404 10.269 -0.649 1.00 0.00 C ATOM 1085 CE1 HIS A 72 32.907 9.090 -1.674 1.00 0.00 C ATOM 1086 NE2 HIS A 72 32.320 10.290 -1.698 1.00 0.00 N ATOM 0 H HIS A 72 28.635 9.195 -0.133 1.00 0.00 H new ATOM 0 HA HIS A 72 30.162 6.694 0.087 1.00 0.00 H new ATOM 0 HB2 HIS A 72 30.194 9.298 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 72 31.371 8.008 1.851 1.00 0.00 H new ATOM 0 HD2 HIS A 72 30.750 11.085 -0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 72 33.675 8.778 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS A 72 32.503 11.057 -2.345 1.00 0.00 H new ATOM 1094 N HIS A 73 29.187 5.638 2.120 1.00 0.00 N ATOM 1095 CA HIS A 73 28.507 4.967 3.259 1.00 0.00 C ATOM 1096 C HIS A 73 28.946 5.621 4.574 1.00 0.00 C ATOM 1097 O HIS A 73 28.156 5.801 5.478 1.00 0.00 O ATOM 1098 CB HIS A 73 28.895 3.488 3.269 1.00 0.00 C ATOM 1099 CG HIS A 73 28.269 2.797 2.089 1.00 0.00 C ATOM 1100 ND1 HIS A 73 26.910 2.535 2.022 1.00 0.00 N ATOM 1101 CD2 HIS A 73 28.802 2.307 0.921 1.00 0.00 C ATOM 1102 CE1 HIS A 73 26.673 1.915 0.851 1.00 0.00 C ATOM 1103 NE2 HIS A 73 27.792 1.751 0.142 1.00 0.00 N ATOM 0 H HIS A 73 29.864 5.060 1.622 1.00 0.00 H new ATOM 0 HA HIS A 73 27.427 5.064 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 73 29.979 3.385 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 73 28.563 3.020 4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 73 29.846 2.347 0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 73 25.696 1.590 0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 73 27.886 1.312 -0.774 1.00 0.00 H new ATOM 1111 N HIS A 74 30.202 5.973 4.689 1.00 0.00 N ATOM 1112 CA HIS A 74 30.686 6.606 5.952 1.00 0.00 C ATOM 1113 C HIS A 74 31.975 7.395 5.684 1.00 0.00 C ATOM 1114 O HIS A 74 32.030 8.247 4.819 1.00 0.00 O ATOM 1115 CB HIS A 74 30.980 5.512 6.982 1.00 0.00 C ATOM 1116 CG HIS A 74 29.732 4.729 7.258 1.00 0.00 C ATOM 1117 ND1 HIS A 74 28.679 5.254 7.988 1.00 0.00 N ATOM 1118 CD2 HIS A 74 29.350 3.460 6.907 1.00 0.00 C ATOM 1119 CE1 HIS A 74 27.721 4.312 8.052 1.00 0.00 C ATOM 1120 NE2 HIS A 74 28.079 3.197 7.409 1.00 0.00 N ATOM 0 H HIS A 74 30.910 5.850 3.965 1.00 0.00 H new ATOM 0 HA HIS A 74 29.919 7.283 6.329 1.00 0.00 H new ATOM 0 HB2 HIS A 74 31.762 4.850 6.610 1.00 0.00 H new ATOM 0 HB3 HIS A 74 31.352 5.958 7.904 1.00 0.00 H new ATOM 0 HD2 HIS A 74 29.945 2.769 6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 74 26.777 4.441 8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 74 27.538 2.338 7.308 1.00 0.00 H new ATOM 1128 N HIS A 75 33.007 7.116 6.435 1.00 0.00 N ATOM 1129 CA HIS A 75 34.298 7.833 6.254 1.00 0.00 C ATOM 1130 C HIS A 75 34.899 7.474 4.890 1.00 0.00 C ATOM 1131 O HIS A 75 35.457 8.311 4.208 1.00 0.00 O ATOM 1132 CB HIS A 75 35.258 7.403 7.366 1.00 0.00 C ATOM 1133 CG HIS A 75 34.783 7.960 8.682 1.00 0.00 C ATOM 1134 ND1 HIS A 75 33.762 7.370 9.412 1.00 0.00 N ATOM 1135 CD2 HIS A 75 35.183 9.052 9.412 1.00 0.00 C ATOM 1136 CE1 HIS A 75 33.583 8.104 10.526 1.00 0.00 C ATOM 1137 NE2 HIS A 75 34.423 9.141 10.576 1.00 0.00 N ATOM 0 H HIS A 75 33.008 6.413 7.174 1.00 0.00 H new ATOM 0 HA HIS A 75 34.134 8.910 6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 75 35.309 6.315 7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 75 36.265 7.760 7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 75 35.967 9.738 9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 75 32.849 7.881 11.287 1.00 0.00 H new ATOM 0 HE2 HIS A 75 34.493 9.847 11.309 1.00 0.00 H new ATOM 1145 N HIS A 76 34.793 6.237 4.488 1.00 0.00 N ATOM 1146 CA HIS A 76 35.360 5.826 3.172 1.00 0.00 C ATOM 1147 C HIS A 76 34.795 6.719 2.065 1.00 0.00 C ATOM 1148 O HIS A 76 33.654 6.514 1.686 1.00 0.00 O ATOM 1149 CB HIS A 76 34.979 4.371 2.895 1.00 0.00 C ATOM 1150 CG HIS A 76 35.733 3.466 3.832 1.00 0.00 C ATOM 1151 ND1 HIS A 76 37.031 3.051 3.574 1.00 0.00 N ATOM 1152 CD2 HIS A 76 35.385 2.885 5.027 1.00 0.00 C ATOM 1153 CE1 HIS A 76 37.413 2.258 4.592 1.00 0.00 C ATOM 1154 NE2 HIS A 76 36.447 2.123 5.505 1.00 0.00 N ATOM 1155 OXT HIS A 76 35.518 7.592 1.608 1.00 0.00 O ATOM 0 H HIS A 76 34.337 5.492 5.015 1.00 0.00 H new ATOM 0 HA HIS A 76 36.445 5.926 3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 76 33.906 4.234 3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 76 35.209 4.114 1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 76 34.432 3.002 5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 76 38.383 1.788 4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 76 36.481 1.579 6.367 1.00 0.00 H new TER 1163 HIS A 76