USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 742 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 69 TYR OH : rot 172:sc= -0.509 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -0.131 X(o=-0.64,f=-0.77) USER MOD Set 2.1: A 9 ASN : amide:sc= -2.52! K(o=-2.5!,f=0.3) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 143:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 171:sc= -2.13! (180deg=-2.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.113 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 14 HIS : no HE2:sc= -2.35 X(o=-2.4,f=-2.8!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 26 MET CE :methyl -123:sc= -2.51 (180deg=-6.06!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 1.07 (180deg=-1.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.65 K(o=-0.65,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 110:sc= -1.06 USER MOD Single : A 53 ASN : amide:sc= -2.56 K(o=-2.6,f=-4.2!) USER MOD Single : A 54 HIS : no HD1:sc= -0.69 K(o=-0.69,f=-0.087) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 56 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -2.89! (180deg=-3.27!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 86:sc= 1.26 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 10:sc= 0.0634 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -122:sc= 0.278 (180deg=-0.529) USER MOD Single : A 88 MET CE :methyl -176:sc= 0 (180deg=-0.00931) USER MOD Single : A 90 LYS NZ :NH3+ -135:sc= 1 (180deg=-0.261) USER MOD Single : A 91 SER OG : rot 180:sc= -9e-05 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.537 7.645 -19.273 1.00 0.00 N ATOM 2 CA GLY A 1 -5.702 8.715 -18.758 1.00 0.00 C ATOM 3 C GLY A 1 -4.743 9.254 -19.800 1.00 0.00 C ATOM 4 O GLY A 1 -4.125 8.489 -20.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.064 7.209 -18.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.207 8.031 -19.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.939 6.927 -19.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.336 9.525 -18.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.135 8.349 -17.902 1.00 0.00 H new ATOM 8 N SER A 2 -4.618 10.576 -19.860 1.00 0.00 N ATOM 9 CA SER A 2 -3.730 11.218 -20.823 1.00 0.00 C ATOM 10 C SER A 2 -2.481 10.374 -21.055 1.00 0.00 C ATOM 11 O SER A 2 -2.214 9.936 -22.174 1.00 0.00 O ATOM 12 CB SER A 2 -3.335 12.612 -20.333 1.00 0.00 C ATOM 13 OG SER A 2 -4.389 13.539 -20.527 1.00 0.00 O ATOM 0 H SER A 2 -5.120 11.224 -19.253 1.00 0.00 H new ATOM 0 HA SER A 2 -4.265 11.312 -21.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.075 12.569 -19.275 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.447 12.950 -20.866 1.00 0.00 H new ATOM 0 HG SER A 2 -4.112 14.422 -20.204 1.00 0.00 H new ATOM 19 N SER A 3 -1.718 10.151 -19.990 1.00 0.00 N ATOM 20 CA SER A 3 -0.494 9.363 -20.077 1.00 0.00 C ATOM 21 C SER A 3 -0.774 7.891 -19.791 1.00 0.00 C ATOM 22 O SER A 3 -0.425 7.016 -20.583 1.00 0.00 O ATOM 23 CB SER A 3 0.551 9.896 -19.095 1.00 0.00 C ATOM 24 OG SER A 3 1.830 9.347 -19.364 1.00 0.00 O ATOM 0 H SER A 3 -1.926 10.505 -19.056 1.00 0.00 H new ATOM 0 HA SER A 3 -0.106 9.450 -21.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.597 10.983 -19.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.254 9.652 -18.075 1.00 0.00 H new ATOM 0 HG SER A 3 2.481 9.704 -18.724 1.00 0.00 H new ATOM 30 N GLY A 4 -1.406 7.626 -18.652 1.00 0.00 N ATOM 31 CA GLY A 4 -1.722 6.259 -18.280 1.00 0.00 C ATOM 32 C GLY A 4 -3.163 6.098 -17.836 1.00 0.00 C ATOM 33 O GLY A 4 -3.647 6.853 -16.993 1.00 0.00 O ATOM 0 H GLY A 4 -1.705 8.333 -17.980 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.530 5.601 -19.128 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.059 5.942 -17.475 1.00 0.00 H new ATOM 37 N SER A 5 -3.849 5.111 -18.404 1.00 0.00 N ATOM 38 CA SER A 5 -5.244 4.857 -18.065 1.00 0.00 C ATOM 39 C SER A 5 -5.402 4.599 -16.570 1.00 0.00 C ATOM 40 O SER A 5 -6.291 5.152 -15.923 1.00 0.00 O ATOM 41 CB SER A 5 -5.774 3.661 -18.859 1.00 0.00 C ATOM 42 OG SER A 5 -5.127 2.462 -18.468 1.00 0.00 O ATOM 0 H SER A 5 -3.461 4.475 -19.101 1.00 0.00 H new ATOM 0 HA SER A 5 -5.823 5.743 -18.326 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.849 3.565 -18.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.619 3.831 -19.925 1.00 0.00 H new ATOM 0 HG SER A 5 -5.484 1.713 -18.989 1.00 0.00 H new ATOM 48 N SER A 6 -4.531 3.754 -16.026 1.00 0.00 N ATOM 49 CA SER A 6 -4.575 3.419 -14.608 1.00 0.00 C ATOM 50 C SER A 6 -3.180 3.482 -13.992 1.00 0.00 C ATOM 51 O SER A 6 -2.191 3.702 -14.689 1.00 0.00 O ATOM 52 CB SER A 6 -5.169 2.023 -14.410 1.00 0.00 C ATOM 53 OG SER A 6 -6.583 2.055 -14.486 1.00 0.00 O ATOM 0 H SER A 6 -3.787 3.289 -16.546 1.00 0.00 H new ATOM 0 HA SER A 6 -5.209 4.150 -14.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.776 1.346 -15.169 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.863 1.628 -13.441 1.00 0.00 H new ATOM 0 HG SER A 6 -6.938 1.151 -14.358 1.00 0.00 H new ATOM 59 N GLY A 7 -3.111 3.288 -12.678 1.00 0.00 N ATOM 60 CA GLY A 7 -1.835 3.327 -11.989 1.00 0.00 C ATOM 61 C GLY A 7 -1.634 4.614 -11.214 1.00 0.00 C ATOM 62 O GLY A 7 -1.623 5.699 -11.794 1.00 0.00 O ATOM 0 H GLY A 7 -3.916 3.105 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.769 2.481 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.030 3.214 -12.715 1.00 0.00 H new ATOM 66 N GLN A 8 -1.477 4.493 -9.899 1.00 0.00 N ATOM 67 CA GLN A 8 -1.278 5.658 -9.044 1.00 0.00 C ATOM 68 C GLN A 8 -0.322 5.336 -7.900 1.00 0.00 C ATOM 69 O GLN A 8 -0.267 4.203 -7.424 1.00 0.00 O ATOM 70 CB GLN A 8 -2.617 6.141 -8.485 1.00 0.00 C ATOM 71 CG GLN A 8 -3.471 6.878 -9.504 1.00 0.00 C ATOM 72 CD GLN A 8 -4.878 7.141 -9.004 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.120 7.203 -7.798 1.00 0.00 O ATOM 74 NE2 GLN A 8 -5.816 7.299 -9.931 1.00 0.00 N ATOM 0 H GLN A 8 -1.484 3.602 -9.403 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.838 6.451 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.175 5.284 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.431 6.798 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.995 7.826 -9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.519 6.294 -10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.571 7.240 -10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.781 7.480 -9.654 1.00 0.00 H new ATOM 83 N ASN A 9 0.431 6.341 -7.464 1.00 0.00 N ATOM 84 CA ASN A 9 1.386 6.164 -6.376 1.00 0.00 C ATOM 85 C ASN A 9 0.749 5.413 -5.210 1.00 0.00 C ATOM 86 O ASN A 9 1.400 4.603 -4.550 1.00 0.00 O ATOM 87 CB ASN A 9 1.905 7.522 -5.900 1.00 0.00 C ATOM 88 CG ASN A 9 2.030 8.523 -7.032 1.00 0.00 C ATOM 89 OD1 ASN A 9 3.130 8.801 -7.510 1.00 0.00 O ATOM 90 ND2 ASN A 9 0.900 9.068 -7.467 1.00 0.00 N ATOM 0 H ASN A 9 0.398 7.286 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 9 2.222 5.574 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.232 7.919 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.878 7.390 -5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.921 9.747 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.011 8.807 -7.041 1.00 0.00 H new ATOM 97 N VAL A 10 -0.528 5.687 -4.963 1.00 0.00 N ATOM 98 CA VAL A 10 -1.253 5.037 -3.878 1.00 0.00 C ATOM 99 C VAL A 10 -1.900 3.740 -4.350 1.00 0.00 C ATOM 100 O VAL A 10 -2.649 3.726 -5.328 1.00 0.00 O ATOM 101 CB VAL A 10 -2.342 5.960 -3.300 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.155 6.594 -4.418 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.243 5.188 -2.347 1.00 0.00 C ATOM 0 H VAL A 10 -1.082 6.355 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.524 4.814 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.856 6.759 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.919 7.242 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.497 7.182 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.632 5.812 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.007 5.855 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.721 4.368 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.647 4.787 -1.527 1.00 0.00 H new ATOM 113 N LEU A 11 -1.606 2.650 -3.650 1.00 0.00 N ATOM 114 CA LEU A 11 -2.159 1.345 -3.996 1.00 0.00 C ATOM 115 C LEU A 11 -3.308 0.976 -3.063 1.00 0.00 C ATOM 116 O LEU A 11 -3.096 0.683 -1.886 1.00 0.00 O ATOM 117 CB LEU A 11 -1.070 0.274 -3.931 1.00 0.00 C ATOM 118 CG LEU A 11 -1.546 -1.175 -4.042 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.768 -1.554 -5.498 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.544 -2.117 -3.390 1.00 0.00 C ATOM 0 H LEU A 11 -0.987 2.644 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.545 1.400 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.355 0.463 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.532 0.388 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.496 -1.267 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.106 -2.588 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.523 -0.900 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.834 -1.446 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.899 -3.144 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.421 -2.023 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.436 -1.860 -2.336 1.00 0.00 H new ATOM 132 N ASP A 12 -4.525 0.990 -3.597 1.00 0.00 N ATOM 133 CA ASP A 12 -5.708 0.653 -2.813 1.00 0.00 C ATOM 134 C ASP A 12 -5.760 -0.844 -2.525 1.00 0.00 C ATOM 135 O ASP A 12 -6.046 -1.648 -3.413 1.00 0.00 O ATOM 136 CB ASP A 12 -6.975 1.088 -3.550 1.00 0.00 C ATOM 137 CG ASP A 12 -7.256 0.235 -4.772 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.538 0.390 -5.782 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.193 -0.587 -4.717 1.00 0.00 O ATOM 0 H ASP A 12 -4.718 1.231 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.649 1.185 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.825 1.033 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.876 2.130 -3.853 1.00 0.00 H new ATOM 144 N LEU A 13 -5.482 -1.211 -1.279 1.00 0.00 N ATOM 145 CA LEU A 13 -5.497 -2.612 -0.873 1.00 0.00 C ATOM 146 C LEU A 13 -6.882 -3.023 -0.383 1.00 0.00 C ATOM 147 O LEU A 13 -7.301 -4.167 -0.562 1.00 0.00 O ATOM 148 CB LEU A 13 -4.461 -2.856 0.226 1.00 0.00 C ATOM 149 CG LEU A 13 -2.999 -2.866 -0.219 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.080 -3.100 0.970 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.774 -3.927 -1.287 1.00 0.00 C ATOM 0 H LEU A 13 -5.244 -0.558 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.245 -3.219 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.582 -2.087 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.682 -3.812 0.700 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.763 -1.892 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.043 -3.104 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.221 -2.304 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.316 -4.060 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.728 -3.920 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.028 -4.908 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.405 -3.714 -2.150 1.00 0.00 H new ATOM 163 N HIS A 14 -7.589 -2.081 0.233 1.00 0.00 N ATOM 164 CA HIS A 14 -8.929 -2.344 0.747 1.00 0.00 C ATOM 165 C HIS A 14 -9.818 -2.945 -0.338 1.00 0.00 C ATOM 166 O HIS A 14 -10.040 -2.334 -1.382 1.00 0.00 O ATOM 167 CB HIS A 14 -9.555 -1.056 1.280 1.00 0.00 C ATOM 168 CG HIS A 14 -9.704 0.013 0.242 1.00 0.00 C ATOM 169 ND1 HIS A 14 -10.928 0.466 -0.203 1.00 0.00 N ATOM 170 CD2 HIS A 14 -8.772 0.720 -0.440 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.743 1.405 -1.114 1.00 0.00 C ATOM 172 NE2 HIS A 14 -9.444 1.578 -1.276 1.00 0.00 N ATOM 0 H HIS A 14 -7.257 -1.129 0.388 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.845 -3.062 1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.536 -1.284 1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.942 -0.675 2.097 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.835 0.129 0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.700 0.627 -0.344 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.522 1.940 -1.637 1.00 0.00 H new ATOM 180 N GLY A 15 -10.323 -4.148 -0.083 1.00 0.00 N ATOM 181 CA GLY A 15 -11.181 -4.812 -1.048 1.00 0.00 C ATOM 182 C GLY A 15 -10.615 -6.140 -1.510 1.00 0.00 C ATOM 183 O GLY A 15 -11.358 -7.099 -1.725 1.00 0.00 O ATOM 0 H GLY A 15 -10.154 -4.675 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.164 -4.974 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.324 -4.161 -1.911 1.00 0.00 H new ATOM 187 N LEU A 16 -9.297 -6.198 -1.665 1.00 0.00 N ATOM 188 CA LEU A 16 -8.631 -7.418 -2.106 1.00 0.00 C ATOM 189 C LEU A 16 -8.453 -8.392 -0.945 1.00 0.00 C ATOM 190 O LEU A 16 -8.760 -8.069 0.202 1.00 0.00 O ATOM 191 CB LEU A 16 -7.271 -7.087 -2.722 1.00 0.00 C ATOM 192 CG LEU A 16 -7.285 -6.654 -4.188 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.085 -5.771 -4.496 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.303 -7.870 -5.103 1.00 0.00 C ATOM 0 H LEU A 16 -8.668 -5.414 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.259 -7.892 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.812 -6.292 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.630 -7.963 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.191 -6.075 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.112 -5.473 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.115 -4.883 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.166 -6.324 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.313 -7.543 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.415 -8.475 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.194 -8.464 -4.901 1.00 0.00 H new ATOM 206 N HIS A 17 -7.954 -9.585 -1.252 1.00 0.00 N ATOM 207 CA HIS A 17 -7.732 -10.606 -0.234 1.00 0.00 C ATOM 208 C HIS A 17 -6.317 -10.513 0.330 1.00 0.00 C ATOM 209 O HIS A 17 -5.371 -10.194 -0.391 1.00 0.00 O ATOM 210 CB HIS A 17 -7.971 -11.999 -0.817 1.00 0.00 C ATOM 211 CG HIS A 17 -8.258 -13.041 0.220 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.453 -14.142 0.423 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.268 -13.145 1.115 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.956 -14.878 1.398 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.057 -14.295 1.835 1.00 0.00 N ATOM 0 H HIS A 17 -7.696 -9.869 -2.197 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.439 -10.434 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.807 -11.953 -1.515 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.094 -12.300 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.087 -12.452 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.538 -15.800 1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.654 -14.642 2.586 1.00 0.00 H new ATOM 223 N VAL A 18 -6.180 -10.793 1.622 1.00 0.00 N ATOM 224 CA VAL A 18 -4.881 -10.741 2.281 1.00 0.00 C ATOM 225 C VAL A 18 -3.767 -11.178 1.337 1.00 0.00 C ATOM 226 O VAL A 18 -2.828 -10.426 1.078 1.00 0.00 O ATOM 227 CB VAL A 18 -4.853 -11.633 3.537 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.439 -11.736 4.088 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.808 -11.096 4.593 1.00 0.00 C ATOM 0 H VAL A 18 -6.953 -11.058 2.233 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.717 -9.704 2.576 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.182 -12.634 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.439 -12.370 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.785 -12.170 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.078 -10.742 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.776 -11.738 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.512 -10.084 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.822 -11.080 4.193 1.00 0.00 H new ATOM 239 N ASP A 19 -3.879 -12.399 0.824 1.00 0.00 N ATOM 240 CA ASP A 19 -2.881 -12.936 -0.094 1.00 0.00 C ATOM 241 C ASP A 19 -2.619 -11.965 -1.241 1.00 0.00 C ATOM 242 O ASP A 19 -1.470 -11.652 -1.551 1.00 0.00 O ATOM 243 CB ASP A 19 -3.342 -14.286 -0.648 1.00 0.00 C ATOM 244 CG ASP A 19 -2.212 -15.062 -1.295 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.051 -14.890 -0.866 1.00 0.00 O ATOM 246 OD2 ASP A 19 -2.488 -15.842 -2.230 1.00 0.00 O ATOM 0 H ASP A 19 -4.650 -13.035 1.028 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.952 -13.076 0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.771 -14.880 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.133 -14.124 -1.380 1.00 0.00 H new ATOM 251 N GLU A 20 -3.692 -11.493 -1.867 1.00 0.00 N ATOM 252 CA GLU A 20 -3.577 -10.559 -2.981 1.00 0.00 C ATOM 253 C GLU A 20 -2.886 -9.271 -2.542 1.00 0.00 C ATOM 254 O GLU A 20 -1.859 -8.884 -3.098 1.00 0.00 O ATOM 255 CB GLU A 20 -4.959 -10.239 -3.553 1.00 0.00 C ATOM 256 CG GLU A 20 -5.391 -11.181 -4.665 1.00 0.00 C ATOM 257 CD GLU A 20 -4.911 -10.729 -6.031 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.515 -9.792 -6.592 1.00 0.00 O ATOM 259 OE2 GLU A 20 -3.931 -11.314 -6.538 1.00 0.00 O ATOM 0 H GLU A 20 -4.650 -11.742 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.972 -11.031 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.694 -10.279 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.958 -9.218 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.005 -12.180 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.478 -11.255 -4.672 1.00 0.00 H new ATOM 266 N ALA A 21 -3.458 -8.612 -1.540 1.00 0.00 N ATOM 267 CA ALA A 21 -2.898 -7.369 -1.024 1.00 0.00 C ATOM 268 C ALA A 21 -1.394 -7.495 -0.803 1.00 0.00 C ATOM 269 O ALA A 21 -0.619 -6.644 -1.240 1.00 0.00 O ATOM 270 CB ALA A 21 -3.592 -6.974 0.271 1.00 0.00 C ATOM 0 H ALA A 21 -4.309 -8.918 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.066 -6.588 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.163 -6.044 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.657 -6.834 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.454 -7.761 1.013 1.00 0.00 H new ATOM 276 N LEU A 22 -0.989 -8.560 -0.122 1.00 0.00 N ATOM 277 CA LEU A 22 0.423 -8.798 0.158 1.00 0.00 C ATOM 278 C LEU A 22 1.233 -8.851 -1.133 1.00 0.00 C ATOM 279 O LEU A 22 2.101 -8.010 -1.367 1.00 0.00 O ATOM 280 CB LEU A 22 0.597 -10.103 0.937 1.00 0.00 C ATOM 281 CG LEU A 22 0.476 -9.999 2.458 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.574 -11.375 3.096 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.545 -9.072 3.016 1.00 0.00 C ATOM 0 H LEU A 22 -1.618 -9.273 0.247 1.00 0.00 H new ATOM 0 HA LEU A 22 0.792 -7.970 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.146 -10.817 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.576 -10.517 0.698 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.501 -9.579 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.486 -11.281 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.229 -12.008 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.536 -11.823 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.443 -9.010 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.532 -9.462 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.427 -8.079 2.583 1.00 0.00 H new ATOM 295 N GLU A 23 0.941 -9.843 -1.968 1.00 0.00 N ATOM 296 CA GLU A 23 1.642 -10.004 -3.237 1.00 0.00 C ATOM 297 C GLU A 23 1.754 -8.670 -3.970 1.00 0.00 C ATOM 298 O GLU A 23 2.801 -8.341 -4.528 1.00 0.00 O ATOM 299 CB GLU A 23 0.919 -11.024 -4.118 1.00 0.00 C ATOM 300 CG GLU A 23 1.027 -12.452 -3.611 1.00 0.00 C ATOM 301 CD GLU A 23 0.071 -13.396 -4.315 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.003 -12.934 -4.754 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.398 -14.596 -4.428 1.00 0.00 O ATOM 0 H GLU A 23 0.225 -10.547 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 23 2.648 -10.367 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.134 -10.751 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.328 -10.974 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.049 -12.806 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.826 -12.469 -2.540 1.00 0.00 H new ATOM 310 N HIS A 24 0.666 -7.906 -3.964 1.00 0.00 N ATOM 311 CA HIS A 24 0.641 -6.608 -4.629 1.00 0.00 C ATOM 312 C HIS A 24 1.599 -5.632 -3.951 1.00 0.00 C ATOM 313 O HIS A 24 2.418 -4.991 -4.610 1.00 0.00 O ATOM 314 CB HIS A 24 -0.777 -6.036 -4.623 1.00 0.00 C ATOM 315 CG HIS A 24 -1.588 -6.433 -5.818 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.236 -6.104 -7.110 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.740 -7.138 -5.911 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.136 -6.588 -7.946 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.060 -7.220 -7.244 1.00 0.00 N ATOM 0 H HIS A 24 -0.209 -8.163 -3.507 1.00 0.00 H new ATOM 0 HA HIS A 24 0.964 -6.749 -5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.290 -6.367 -3.720 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.721 -4.948 -4.577 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.302 -7.558 -5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.120 -6.485 -9.021 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.878 -7.692 -7.629 1.00 0.00 H new ATOM 327 N LEU A 25 1.489 -5.524 -2.631 1.00 0.00 N ATOM 328 CA LEU A 25 2.345 -4.626 -1.864 1.00 0.00 C ATOM 329 C LEU A 25 3.811 -4.817 -2.240 1.00 0.00 C ATOM 330 O LEU A 25 4.546 -3.847 -2.422 1.00 0.00 O ATOM 331 CB LEU A 25 2.156 -4.866 -0.365 1.00 0.00 C ATOM 332 CG LEU A 25 3.054 -4.049 0.564 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.385 -2.734 0.934 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.393 -4.847 1.815 1.00 0.00 C ATOM 0 H LEU A 25 0.816 -6.047 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 25 2.059 -3.601 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.117 -4.655 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.324 -5.924 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 25 3.981 -3.825 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.039 -2.166 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.194 -2.156 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.442 -2.936 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.033 -4.250 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.475 -5.102 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.915 -5.762 1.533 1.00 0.00 H new ATOM 346 N MET A 26 4.228 -6.073 -2.356 1.00 0.00 N ATOM 347 CA MET A 26 5.606 -6.390 -2.715 1.00 0.00 C ATOM 348 C MET A 26 5.927 -5.902 -4.123 1.00 0.00 C ATOM 349 O MET A 26 6.944 -5.244 -4.345 1.00 0.00 O ATOM 350 CB MET A 26 5.846 -7.898 -2.618 1.00 0.00 C ATOM 351 CG MET A 26 5.589 -8.467 -1.232 1.00 0.00 C ATOM 352 SD MET A 26 5.455 -10.265 -1.232 1.00 0.00 S ATOM 353 CE MET A 26 3.898 -10.488 -0.375 1.00 0.00 C ATOM 0 H MET A 26 3.633 -6.888 -2.207 1.00 0.00 H new ATOM 0 HA MET A 26 6.265 -5.878 -2.014 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.202 -8.407 -3.336 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.875 -8.113 -2.905 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.397 -8.167 -0.565 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.670 -8.038 -0.832 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.052 -11.119 0.500 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.514 -9.518 -0.060 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.180 -10.963 -1.043 1.00 0.00 H new ATOM 363 N ARG A 27 5.055 -6.229 -5.072 1.00 0.00 N ATOM 364 CA ARG A 27 5.248 -5.824 -6.459 1.00 0.00 C ATOM 365 C ARG A 27 5.319 -4.305 -6.578 1.00 0.00 C ATOM 366 O ARG A 27 6.305 -3.755 -7.069 1.00 0.00 O ATOM 367 CB ARG A 27 4.113 -6.362 -7.332 1.00 0.00 C ATOM 368 CG ARG A 27 4.332 -7.791 -7.804 1.00 0.00 C ATOM 369 CD ARG A 27 5.101 -7.832 -9.116 1.00 0.00 C ATOM 370 NE ARG A 27 4.855 -9.067 -9.855 1.00 0.00 N ATOM 371 CZ ARG A 27 5.652 -9.519 -10.817 1.00 0.00 C ATOM 372 NH1 ARG A 27 6.740 -8.840 -11.155 1.00 0.00 N ATOM 373 NH2 ARG A 27 5.361 -10.652 -11.444 1.00 0.00 N ATOM 0 H ARG A 27 4.208 -6.773 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 27 6.193 -6.242 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.180 -6.313 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.997 -5.715 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.879 -8.347 -7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.369 -8.286 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.815 -6.978 -9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.168 -7.736 -8.914 1.00 0.00 H new ATOM 0 HE ARG A 27 4.026 -9.613 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.967 -7.968 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.350 -9.189 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.525 -11.177 -11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.974 -10.998 -12.182 1.00 0.00 H new ATOM 387 N VAL A 28 4.266 -3.631 -6.125 1.00 0.00 N ATOM 388 CA VAL A 28 4.209 -2.176 -6.180 1.00 0.00 C ATOM 389 C VAL A 28 5.380 -1.551 -5.430 1.00 0.00 C ATOM 390 O VAL A 28 5.801 -0.434 -5.734 1.00 0.00 O ATOM 391 CB VAL A 28 2.891 -1.643 -5.586 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.698 -2.198 -6.349 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.796 -1.988 -4.107 1.00 0.00 C ATOM 0 H VAL A 28 3.441 -4.070 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 28 4.264 -1.897 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 28 2.881 -0.557 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.776 -1.810 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.762 -1.896 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.700 -3.286 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.859 -1.604 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.828 -3.070 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.633 -1.537 -3.574 1.00 0.00 H new ATOM 403 N LEU A 29 5.904 -2.279 -4.450 1.00 0.00 N ATOM 404 CA LEU A 29 7.028 -1.797 -3.656 1.00 0.00 C ATOM 405 C LEU A 29 8.298 -1.722 -4.499 1.00 0.00 C ATOM 406 O LEU A 29 9.131 -0.838 -4.305 1.00 0.00 O ATOM 407 CB LEU A 29 7.256 -2.710 -2.451 1.00 0.00 C ATOM 408 CG LEU A 29 6.515 -2.328 -1.169 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.576 -3.463 -0.159 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.097 -1.052 -0.577 1.00 0.00 C ATOM 0 H LEU A 29 5.568 -3.205 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 29 6.788 -0.794 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.964 -3.723 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.324 -2.734 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 29 5.469 -2.146 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.043 -3.173 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.112 -4.353 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.616 -3.678 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.558 -0.795 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.151 -1.207 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.000 -0.240 -1.297 1.00 0.00 H new ATOM 422 N GLU A 30 8.435 -2.654 -5.437 1.00 0.00 N ATOM 423 CA GLU A 30 9.602 -2.692 -6.310 1.00 0.00 C ATOM 424 C GLU A 30 9.352 -1.895 -7.587 1.00 0.00 C ATOM 425 O GLU A 30 10.265 -1.278 -8.137 1.00 0.00 O ATOM 426 CB GLU A 30 9.958 -4.138 -6.660 1.00 0.00 C ATOM 427 CG GLU A 30 10.622 -4.894 -5.521 1.00 0.00 C ATOM 428 CD GLU A 30 10.649 -6.392 -5.752 1.00 0.00 C ATOM 429 OE1 GLU A 30 9.648 -7.062 -5.422 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.671 -6.896 -6.264 1.00 0.00 O ATOM 0 H GLU A 30 7.753 -3.392 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 30 10.438 -2.239 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.051 -4.665 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.623 -4.141 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.642 -4.531 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.092 -4.683 -4.592 1.00 0.00 H new ATOM 437 N LYS A 31 8.108 -1.914 -8.055 1.00 0.00 N ATOM 438 CA LYS A 31 7.736 -1.194 -9.267 1.00 0.00 C ATOM 439 C LYS A 31 7.650 0.306 -9.003 1.00 0.00 C ATOM 440 O LYS A 31 8.281 1.106 -9.695 1.00 0.00 O ATOM 441 CB LYS A 31 6.395 -1.707 -9.797 1.00 0.00 C ATOM 442 CG LYS A 31 6.147 -1.364 -11.256 1.00 0.00 C ATOM 443 CD LYS A 31 7.028 -2.189 -12.180 1.00 0.00 C ATOM 444 CE LYS A 31 6.595 -3.647 -12.207 1.00 0.00 C ATOM 445 NZ LYS A 31 7.420 -4.453 -13.149 1.00 0.00 N ATOM 0 H LYS A 31 7.341 -2.420 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 31 8.508 -1.370 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.356 -2.789 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.591 -1.289 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.099 -1.539 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.339 -0.304 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.986 -1.777 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.065 -2.122 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.673 -4.068 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.546 -3.709 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.094 -5.440 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.326 -4.067 -14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.417 -4.415 -12.857 1.00 0.00 H new ATOM 459 N LYS A 32 6.866 0.682 -7.999 1.00 0.00 N ATOM 460 CA LYS A 32 6.699 2.086 -7.641 1.00 0.00 C ATOM 461 C LYS A 32 8.052 2.763 -7.450 1.00 0.00 C ATOM 462 O LYS A 32 8.413 3.676 -8.193 1.00 0.00 O ATOM 463 CB LYS A 32 5.868 2.213 -6.363 1.00 0.00 C ATOM 464 CG LYS A 32 4.460 1.659 -6.495 1.00 0.00 C ATOM 465 CD LYS A 32 3.526 2.660 -7.153 1.00 0.00 C ATOM 466 CE LYS A 32 2.109 2.117 -7.256 1.00 0.00 C ATOM 467 NZ LYS A 32 1.308 2.422 -6.039 1.00 0.00 N ATOM 0 H LYS A 32 6.335 0.033 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 32 6.176 2.583 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.380 1.692 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.811 3.264 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.483 0.741 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.077 1.397 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.521 3.586 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.896 2.905 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.619 2.545 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.144 1.038 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.336 2.668 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.291 1.589 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.737 3.223 -5.533 1.00 0.00 H new ATOM 481 N THR A 33 8.800 2.309 -6.449 1.00 0.00 N ATOM 482 CA THR A 33 10.113 2.871 -6.160 1.00 0.00 C ATOM 483 C THR A 33 10.989 2.891 -7.407 1.00 0.00 C ATOM 484 O THR A 33 11.947 3.658 -7.491 1.00 0.00 O ATOM 485 CB THR A 33 10.833 2.076 -5.054 1.00 0.00 C ATOM 486 OG1 THR A 33 12.124 2.644 -4.803 1.00 0.00 O ATOM 487 CG2 THR A 33 10.984 0.615 -5.448 1.00 0.00 C ATOM 0 H THR A 33 8.518 1.553 -5.825 1.00 0.00 H new ATOM 0 HA THR A 33 9.951 3.893 -5.817 1.00 0.00 H new ATOM 0 HB THR A 33 10.230 2.131 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.574 2.134 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.495 0.074 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.999 0.178 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.567 0.544 -6.366 1.00 0.00 H new ATOM 495 N GLU A 34 10.653 2.043 -8.374 1.00 0.00 N ATOM 496 CA GLU A 34 11.411 1.964 -9.618 1.00 0.00 C ATOM 497 C GLU A 34 11.457 3.322 -10.313 1.00 0.00 C ATOM 498 O GLU A 34 12.514 3.944 -10.412 1.00 0.00 O ATOM 499 CB GLU A 34 10.794 0.921 -10.552 1.00 0.00 C ATOM 500 CG GLU A 34 11.778 0.346 -11.557 1.00 0.00 C ATOM 501 CD GLU A 34 11.140 -0.675 -12.479 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.324 -0.272 -13.334 1.00 0.00 O ATOM 503 OE2 GLU A 34 11.457 -1.875 -12.346 1.00 0.00 O ATOM 0 H GLU A 34 9.862 1.402 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 34 12.430 1.665 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.382 0.108 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.961 1.375 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.198 1.156 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.607 -0.120 -11.023 1.00 0.00 H new ATOM 510 N GLU A 35 10.303 3.774 -10.794 1.00 0.00 N ATOM 511 CA GLU A 35 10.212 5.056 -11.481 1.00 0.00 C ATOM 512 C GLU A 35 10.606 6.201 -10.552 1.00 0.00 C ATOM 513 O GLU A 35 11.209 7.185 -10.981 1.00 0.00 O ATOM 514 CB GLU A 35 8.793 5.278 -12.008 1.00 0.00 C ATOM 515 CG GLU A 35 8.380 4.285 -13.081 1.00 0.00 C ATOM 516 CD GLU A 35 9.463 4.063 -14.119 1.00 0.00 C ATOM 517 OE1 GLU A 35 10.146 5.042 -14.483 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.627 2.908 -14.566 1.00 0.00 O ATOM 0 H GLU A 35 9.419 3.271 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 35 10.906 5.038 -12.322 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.091 5.214 -11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.718 6.288 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.130 3.333 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.477 4.644 -13.575 1.00 0.00 H new ATOM 525 N PHE A 36 10.260 6.065 -9.276 1.00 0.00 N ATOM 526 CA PHE A 36 10.576 7.087 -8.285 1.00 0.00 C ATOM 527 C PHE A 36 12.067 7.410 -8.292 1.00 0.00 C ATOM 528 O PHE A 36 12.466 8.564 -8.136 1.00 0.00 O ATOM 529 CB PHE A 36 10.149 6.625 -6.890 1.00 0.00 C ATOM 530 CG PHE A 36 10.995 7.191 -5.786 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.296 8.543 -5.750 1.00 0.00 C ATOM 532 CD2 PHE A 36 11.491 6.371 -4.785 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.074 9.067 -4.735 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.269 6.890 -3.767 1.00 0.00 C ATOM 535 CZ PHE A 36 12.562 8.239 -3.743 1.00 0.00 C ATOM 0 H PHE A 36 9.761 5.257 -8.904 1.00 0.00 H new ATOM 0 HA PHE A 36 10.026 7.991 -8.545 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.110 6.910 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.191 5.537 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.918 9.195 -6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.267 5.315 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.300 10.123 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.647 6.241 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.172 8.646 -2.950 1.00 0.00 H new ATOM 545 N LYS A 37 12.888 6.381 -8.474 1.00 0.00 N ATOM 546 CA LYS A 37 14.336 6.552 -8.502 1.00 0.00 C ATOM 547 C LYS A 37 14.822 6.840 -9.919 1.00 0.00 C ATOM 548 O LYS A 37 15.497 7.840 -10.161 1.00 0.00 O ATOM 549 CB LYS A 37 15.029 5.300 -7.959 1.00 0.00 C ATOM 550 CG LYS A 37 14.607 4.936 -6.546 1.00 0.00 C ATOM 551 CD LYS A 37 14.652 3.434 -6.321 1.00 0.00 C ATOM 552 CE LYS A 37 16.065 2.890 -6.471 1.00 0.00 C ATOM 553 NZ LYS A 37 16.113 1.413 -6.288 1.00 0.00 N ATOM 0 H LYS A 37 12.575 5.419 -8.604 1.00 0.00 H new ATOM 0 HA LYS A 37 14.589 7.403 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.815 4.461 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.108 5.455 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.263 5.432 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.597 5.303 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.276 3.203 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.993 2.938 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.450 3.146 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.718 3.368 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.093 1.081 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.770 1.170 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.510 0.955 -7.001 1.00 0.00 H new ATOM 567 N GLN A 38 14.471 5.960 -10.851 1.00 0.00 N ATOM 568 CA GLN A 38 14.872 6.122 -12.244 1.00 0.00 C ATOM 569 C GLN A 38 14.446 7.486 -12.777 1.00 0.00 C ATOM 570 O GLN A 38 15.273 8.265 -13.248 1.00 0.00 O ATOM 571 CB GLN A 38 14.264 5.012 -13.103 1.00 0.00 C ATOM 572 CG GLN A 38 14.999 3.686 -12.993 1.00 0.00 C ATOM 573 CD GLN A 38 14.425 2.623 -13.908 1.00 0.00 C ATOM 574 OE1 GLN A 38 13.234 2.313 -13.848 1.00 0.00 O ATOM 575 NE2 GLN A 38 15.269 2.057 -14.762 1.00 0.00 N ATOM 0 H GLN A 38 13.910 5.128 -10.667 1.00 0.00 H new ATOM 0 HA GLN A 38 15.959 6.056 -12.294 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.224 4.867 -12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.261 5.331 -14.145 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.051 3.837 -13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.955 3.335 -11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.248 2.344 -14.778 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.939 1.335 -15.402 1.00 0.00 H new ATOM 584 N ASN A 39 13.149 7.767 -12.700 1.00 0.00 N ATOM 585 CA ASN A 39 12.613 9.037 -13.177 1.00 0.00 C ATOM 586 C ASN A 39 12.501 10.043 -12.035 1.00 0.00 C ATOM 587 O ASN A 39 13.221 11.040 -11.999 1.00 0.00 O ATOM 588 CB ASN A 39 11.241 8.826 -13.821 1.00 0.00 C ATOM 589 CG ASN A 39 11.340 8.523 -15.304 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.809 9.260 -16.136 1.00 0.00 O ATOM 591 ND2 ASN A 39 12.022 7.435 -15.642 1.00 0.00 N ATOM 0 H ASN A 39 12.450 7.133 -12.312 1.00 0.00 H new ATOM 0 HA ASN A 39 13.300 9.435 -13.923 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.729 8.005 -13.318 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.633 9.719 -13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.123 7.181 -16.625 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.445 6.853 -14.919 1.00 0.00 H new ATOM 598 N GLY A 40 11.592 9.773 -11.103 1.00 0.00 N ATOM 599 CA GLY A 40 11.402 10.663 -9.972 1.00 0.00 C ATOM 600 C GLY A 40 10.030 10.519 -9.345 1.00 0.00 C ATOM 601 O GLY A 40 9.063 10.172 -10.023 1.00 0.00 O ATOM 0 H GLY A 40 10.984 8.954 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.165 10.458 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.543 11.694 -10.297 1.00 0.00 H new ATOM 605 N GLY A 41 9.943 10.786 -8.045 1.00 0.00 N ATOM 606 CA GLY A 41 8.675 10.677 -7.349 1.00 0.00 C ATOM 607 C GLY A 41 8.817 10.876 -5.853 1.00 0.00 C ATOM 608 O GLY A 41 9.876 11.276 -5.369 1.00 0.00 O ATOM 0 H GLY A 41 10.728 11.076 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.981 11.417 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.241 9.696 -7.543 1.00 0.00 H new ATOM 612 N LYS A 42 7.746 10.599 -5.116 1.00 0.00 N ATOM 613 CA LYS A 42 7.754 10.749 -3.666 1.00 0.00 C ATOM 614 C LYS A 42 8.596 9.660 -3.011 1.00 0.00 C ATOM 615 O LYS A 42 8.575 8.497 -3.415 1.00 0.00 O ATOM 616 CB LYS A 42 6.325 10.702 -3.120 1.00 0.00 C ATOM 617 CG LYS A 42 5.503 11.934 -3.459 1.00 0.00 C ATOM 618 CD LYS A 42 4.013 11.658 -3.348 1.00 0.00 C ATOM 619 CE LYS A 42 3.515 10.812 -4.510 1.00 0.00 C ATOM 620 NZ LYS A 42 2.028 10.767 -4.566 1.00 0.00 N ATOM 0 H LYS A 42 6.861 10.269 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 42 8.196 11.717 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.822 9.820 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.363 10.587 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.774 12.749 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.739 12.263 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.806 11.146 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.468 12.602 -3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.902 11.216 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.906 9.799 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.718 10.774 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.689 9.899 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.637 11.596 -4.075 1.00 0.00 H new ATOM 634 N PRO A 43 9.356 10.042 -1.973 1.00 0.00 N ATOM 635 CA PRO A 43 10.218 9.111 -1.238 1.00 0.00 C ATOM 636 C PRO A 43 9.418 8.110 -0.411 1.00 0.00 C ATOM 637 O PRO A 43 9.988 7.271 0.287 1.00 0.00 O ATOM 638 CB PRO A 43 11.033 10.030 -0.325 1.00 0.00 C ATOM 639 CG PRO A 43 10.182 11.239 -0.146 1.00 0.00 C ATOM 640 CD PRO A 43 9.430 11.411 -1.437 1.00 0.00 C ATOM 0 HA PRO A 43 10.827 8.503 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.246 9.551 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.993 10.285 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.496 11.113 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.791 12.116 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.438 11.832 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.951 12.082 -2.119 1.00 0.00 H new ATOM 648 N TYR A 44 8.096 8.204 -0.494 1.00 0.00 N ATOM 649 CA TYR A 44 7.218 7.308 0.249 1.00 0.00 C ATOM 650 C TYR A 44 6.090 6.791 -0.638 1.00 0.00 C ATOM 651 O TYR A 44 5.913 7.249 -1.768 1.00 0.00 O ATOM 652 CB TYR A 44 6.635 8.025 1.468 1.00 0.00 C ATOM 653 CG TYR A 44 5.864 9.278 1.122 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.521 10.434 0.720 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.476 9.306 1.196 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.820 11.581 0.403 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.767 10.448 0.880 1.00 0.00 C ATOM 658 CZ TYR A 44 4.443 11.583 0.484 1.00 0.00 C ATOM 659 OH TYR A 44 3.741 12.724 0.168 1.00 0.00 O ATOM 0 H TYR A 44 7.609 8.892 -1.068 1.00 0.00 H new ATOM 0 HA TYR A 44 7.811 6.457 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.977 7.339 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.446 8.284 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.599 10.436 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.943 8.419 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.347 12.471 0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.689 10.452 0.943 1.00 0.00 H new ATOM 0 HH TYR A 44 2.781 12.558 0.276 1.00 0.00 H new ATOM 669 N LEU A 45 5.328 5.835 -0.119 1.00 0.00 N ATOM 670 CA LEU A 45 4.215 5.254 -0.862 1.00 0.00 C ATOM 671 C LEU A 45 2.956 5.201 -0.003 1.00 0.00 C ATOM 672 O LEU A 45 2.972 4.671 1.108 1.00 0.00 O ATOM 673 CB LEU A 45 4.577 3.848 -1.345 1.00 0.00 C ATOM 674 CG LEU A 45 3.702 3.277 -2.461 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.032 3.939 -3.790 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.878 1.768 -2.557 1.00 0.00 C ATOM 0 H LEU A 45 5.460 5.445 0.814 1.00 0.00 H new ATOM 0 HA LEU A 45 4.016 5.888 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.611 3.859 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.533 3.170 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 45 2.659 3.487 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.399 3.520 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.855 5.012 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.079 3.760 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.248 1.378 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.921 1.536 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.591 1.307 -1.612 1.00 0.00 H new ATOM 688 N SER A 46 1.865 5.752 -0.527 1.00 0.00 N ATOM 689 CA SER A 46 0.597 5.769 0.193 1.00 0.00 C ATOM 690 C SER A 46 -0.119 4.428 0.063 1.00 0.00 C ATOM 691 O SER A 46 -0.450 3.992 -1.039 1.00 0.00 O ATOM 692 CB SER A 46 -0.298 6.891 -0.336 1.00 0.00 C ATOM 693 OG SER A 46 0.171 8.160 0.085 1.00 0.00 O ATOM 0 H SER A 46 1.834 6.192 -1.447 1.00 0.00 H new ATOM 0 HA SER A 46 0.808 5.948 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.327 6.854 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.319 6.742 0.016 1.00 0.00 H new ATOM 0 HG SER A 46 -0.417 8.860 -0.268 1.00 0.00 H new ATOM 699 N VAL A 47 -0.354 3.778 1.199 1.00 0.00 N ATOM 700 CA VAL A 47 -1.031 2.487 1.214 1.00 0.00 C ATOM 701 C VAL A 47 -2.346 2.565 1.983 1.00 0.00 C ATOM 702 O VAL A 47 -2.369 2.937 3.157 1.00 0.00 O ATOM 703 CB VAL A 47 -0.145 1.396 1.844 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.897 0.076 1.922 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.146 1.238 1.055 1.00 0.00 C ATOM 0 H VAL A 47 -0.086 4.124 2.120 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.235 2.224 0.176 1.00 0.00 H new ATOM 0 HB VAL A 47 0.111 1.701 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.255 -0.683 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.791 0.202 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.185 -0.239 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.760 0.463 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.913 0.956 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.691 2.182 1.057 1.00 0.00 H new ATOM 715 N ILE A 48 -3.438 2.212 1.314 1.00 0.00 N ATOM 716 CA ILE A 48 -4.756 2.240 1.935 1.00 0.00 C ATOM 717 C ILE A 48 -5.314 0.831 2.106 1.00 0.00 C ATOM 718 O ILE A 48 -5.688 0.176 1.132 1.00 0.00 O ATOM 719 CB ILE A 48 -5.750 3.077 1.108 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.305 4.540 1.063 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.152 2.961 1.688 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.192 5.415 0.205 1.00 0.00 C ATOM 0 H ILE A 48 -3.436 1.903 0.342 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.633 2.700 2.915 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.767 2.691 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.288 4.938 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.284 4.589 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.843 3.558 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.467 1.918 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.152 3.324 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.817 6.438 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.190 5.042 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.209 5.396 0.596 1.00 0.00 H new ATOM 734 N THR A 49 -5.369 0.370 3.351 1.00 0.00 N ATOM 735 CA THR A 49 -5.882 -0.961 3.651 1.00 0.00 C ATOM 736 C THR A 49 -7.356 -0.909 4.037 1.00 0.00 C ATOM 737 O THR A 49 -8.118 -1.830 3.745 1.00 0.00 O ATOM 738 CB THR A 49 -5.088 -1.626 4.791 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.258 -0.883 6.004 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.609 -1.708 4.444 1.00 0.00 C ATOM 0 H THR A 49 -5.065 0.899 4.168 1.00 0.00 H new ATOM 0 HA THR A 49 -5.768 -1.555 2.744 1.00 0.00 H new ATOM 0 HB THR A 49 -5.469 -2.638 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.804 -1.402 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.069 -2.181 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.480 -2.298 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.217 -0.704 4.283 1.00 0.00 H new ATOM 748 N GLY A 50 -7.753 0.177 4.695 1.00 0.00 N ATOM 749 CA GLY A 50 -9.135 0.329 5.109 1.00 0.00 C ATOM 750 C GLY A 50 -9.271 0.562 6.601 1.00 0.00 C ATOM 751 O GLY A 50 -8.299 0.434 7.347 1.00 0.00 O ATOM 0 H GLY A 50 -7.142 0.953 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.582 1.165 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.695 -0.564 4.831 1.00 0.00 H new ATOM 755 N ARG A 51 -10.478 0.905 7.037 1.00 0.00 N ATOM 756 CA ARG A 51 -10.737 1.159 8.450 1.00 0.00 C ATOM 757 C ARG A 51 -11.261 -0.097 9.140 1.00 0.00 C ATOM 758 O ARG A 51 -11.535 -1.106 8.492 1.00 0.00 O ATOM 759 CB ARG A 51 -11.743 2.300 8.609 1.00 0.00 C ATOM 760 CG ARG A 51 -11.135 3.679 8.414 1.00 0.00 C ATOM 761 CD ARG A 51 -12.028 4.767 8.989 1.00 0.00 C ATOM 762 NE ARG A 51 -13.339 4.797 8.345 1.00 0.00 N ATOM 763 CZ ARG A 51 -13.556 5.322 7.145 1.00 0.00 C ATOM 764 NH1 ARG A 51 -12.555 5.859 6.461 1.00 0.00 N ATOM 765 NH2 ARG A 51 -14.777 5.312 6.626 1.00 0.00 N ATOM 0 H ARG A 51 -11.293 1.014 6.433 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.797 1.446 8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.551 2.163 7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.188 2.245 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.157 3.718 8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.976 3.861 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.154 4.605 10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.543 5.736 8.868 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.131 4.392 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.615 5.870 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.725 6.261 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.550 4.901 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.943 5.716 5.704 1.00 0.00 H new ATOM 779 N GLY A 52 -11.398 -0.026 10.461 1.00 0.00 N ATOM 780 CA GLY A 52 -11.889 -1.163 11.218 1.00 0.00 C ATOM 781 C GLY A 52 -13.034 -0.795 12.140 1.00 0.00 C ATOM 782 O GLY A 52 -12.865 -0.005 13.067 1.00 0.00 O ATOM 0 H GLY A 52 -11.178 0.798 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.218 -1.940 10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.073 -1.583 11.807 1.00 0.00 H new ATOM 786 N ASN A 53 -14.206 -1.370 11.884 1.00 0.00 N ATOM 787 CA ASN A 53 -15.385 -1.096 12.697 1.00 0.00 C ATOM 788 C ASN A 53 -15.894 -2.370 13.364 1.00 0.00 C ATOM 789 O ASN A 53 -16.193 -3.358 12.693 1.00 0.00 O ATOM 790 CB ASN A 53 -16.491 -0.480 11.838 1.00 0.00 C ATOM 791 CG ASN A 53 -16.702 -1.235 10.540 1.00 0.00 C ATOM 792 OD1 ASN A 53 -17.164 -2.376 10.540 1.00 0.00 O ATOM 793 ND2 ASN A 53 -16.363 -0.599 9.424 1.00 0.00 N ATOM 0 H ASN A 53 -14.364 -2.028 11.121 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.102 -0.388 13.475 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -17.423 -0.468 12.404 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.240 0.557 11.615 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.482 -1.056 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.984 0.347 9.471 1.00 0.00 H new ATOM 800 N HIS A 54 -15.990 -2.340 14.690 1.00 0.00 N ATOM 801 CA HIS A 54 -16.464 -3.492 15.448 1.00 0.00 C ATOM 802 C HIS A 54 -17.978 -3.636 15.328 1.00 0.00 C ATOM 803 O HIS A 54 -18.524 -4.725 15.505 1.00 0.00 O ATOM 804 CB HIS A 54 -16.067 -3.359 16.919 1.00 0.00 C ATOM 805 CG HIS A 54 -17.062 -2.600 17.741 1.00 0.00 C ATOM 806 ND1 HIS A 54 -17.641 -3.111 18.883 1.00 0.00 N ATOM 807 CD2 HIS A 54 -17.578 -1.359 17.583 1.00 0.00 C ATOM 808 CE1 HIS A 54 -18.472 -2.218 19.391 1.00 0.00 C ATOM 809 NE2 HIS A 54 -18.452 -1.145 18.620 1.00 0.00 N ATOM 0 H HIS A 54 -15.746 -1.531 15.261 1.00 0.00 H new ATOM 0 HA HIS A 54 -15.998 -4.386 15.033 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.941 -4.355 17.344 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -15.100 -2.860 16.982 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -17.345 -0.665 16.788 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.066 -2.344 20.284 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -18.997 -0.296 18.771 1.00 0.00 H new ATOM 817 N SER A 55 -18.651 -2.529 15.028 1.00 0.00 N ATOM 818 CA SER A 55 -20.102 -2.531 14.890 1.00 0.00 C ATOM 819 C SER A 55 -20.543 -3.504 13.800 1.00 0.00 C ATOM 820 O SER A 55 -21.466 -4.294 13.995 1.00 0.00 O ATOM 821 CB SER A 55 -20.607 -1.123 14.566 1.00 0.00 C ATOM 822 OG SER A 55 -20.136 -0.691 13.302 1.00 0.00 O ATOM 0 H SER A 55 -18.214 -1.620 14.876 1.00 0.00 H new ATOM 0 HA SER A 55 -20.532 -2.855 15.838 1.00 0.00 H new ATOM 0 HB2 SER A 55 -21.697 -1.113 14.574 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.276 -0.428 15.338 1.00 0.00 H new ATOM 0 HG SER A 55 -20.474 0.210 13.118 1.00 0.00 H new ATOM 828 N GLN A 56 -19.875 -3.440 12.653 1.00 0.00 N ATOM 829 CA GLN A 56 -20.197 -4.314 11.531 1.00 0.00 C ATOM 830 C GLN A 56 -19.746 -5.744 11.809 1.00 0.00 C ATOM 831 O GLN A 56 -20.442 -6.702 11.473 1.00 0.00 O ATOM 832 CB GLN A 56 -19.540 -3.799 10.250 1.00 0.00 C ATOM 833 CG GLN A 56 -20.214 -4.293 8.980 1.00 0.00 C ATOM 834 CD GLN A 56 -19.840 -5.722 8.639 1.00 0.00 C ATOM 835 OE1 GLN A 56 -18.661 -6.075 8.599 1.00 0.00 O ATOM 836 NE2 GLN A 56 -20.846 -6.554 8.392 1.00 0.00 N ATOM 0 H GLN A 56 -19.107 -2.792 12.476 1.00 0.00 H new ATOM 0 HA GLN A 56 -21.279 -4.312 11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.553 -2.709 10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.494 -4.106 10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -21.295 -4.222 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.939 -3.642 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -21.808 -6.218 8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.656 -7.528 8.158 1.00 0.00 H new ATOM 845 N GLY A 57 -18.575 -5.881 12.424 1.00 0.00 N ATOM 846 CA GLY A 57 -18.051 -7.198 12.736 1.00 0.00 C ATOM 847 C GLY A 57 -16.836 -7.551 11.901 1.00 0.00 C ATOM 848 O GLY A 57 -15.765 -7.831 12.438 1.00 0.00 O ATOM 0 H GLY A 57 -17.980 -5.104 12.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.786 -7.239 13.793 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.829 -7.943 12.573 1.00 0.00 H new ATOM 852 N GLY A 58 -17.003 -7.539 10.582 1.00 0.00 N ATOM 853 CA GLY A 58 -15.903 -7.864 9.692 1.00 0.00 C ATOM 854 C GLY A 58 -14.656 -7.057 9.994 1.00 0.00 C ATOM 855 O GLY A 58 -14.620 -5.847 9.770 1.00 0.00 O ATOM 0 H GLY A 58 -17.880 -7.310 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.674 -8.926 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.208 -7.684 8.661 1.00 0.00 H new ATOM 859 N VAL A 59 -13.629 -7.728 10.506 1.00 0.00 N ATOM 860 CA VAL A 59 -12.373 -7.066 10.840 1.00 0.00 C ATOM 861 C VAL A 59 -11.458 -6.979 9.624 1.00 0.00 C ATOM 862 O VAL A 59 -11.793 -7.467 8.546 1.00 0.00 O ATOM 863 CB VAL A 59 -11.635 -7.802 11.974 1.00 0.00 C ATOM 864 CG1 VAL A 59 -12.461 -7.782 13.251 1.00 0.00 C ATOM 865 CG2 VAL A 59 -11.312 -9.230 11.560 1.00 0.00 C ATOM 0 H VAL A 59 -13.642 -8.730 10.699 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.624 -6.059 11.174 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.696 -7.283 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.923 -8.307 14.041 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.636 -6.750 13.555 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.417 -8.275 13.074 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.791 -9.735 12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.237 -9.762 11.336 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.677 -9.217 10.674 1.00 0.00 H new ATOM 875 N ALA A 60 -10.299 -6.354 9.807 1.00 0.00 N ATOM 876 CA ALA A 60 -9.333 -6.205 8.725 1.00 0.00 C ATOM 877 C ALA A 60 -8.139 -7.132 8.924 1.00 0.00 C ATOM 878 O ALA A 60 -7.524 -7.148 9.991 1.00 0.00 O ATOM 879 CB ALA A 60 -8.870 -4.759 8.627 1.00 0.00 C ATOM 0 H ALA A 60 -10.007 -5.943 10.694 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.824 -6.482 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.149 -4.662 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.727 -4.115 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.402 -4.463 9.566 1.00 0.00 H new ATOM 885 N ARG A 61 -7.817 -7.905 7.892 1.00 0.00 N ATOM 886 CA ARG A 61 -6.697 -8.836 7.954 1.00 0.00 C ATOM 887 C ARG A 61 -5.611 -8.450 6.955 1.00 0.00 C ATOM 888 O ARG A 61 -4.615 -9.156 6.802 1.00 0.00 O ATOM 889 CB ARG A 61 -7.177 -10.262 7.676 1.00 0.00 C ATOM 890 CG ARG A 61 -8.129 -10.801 8.731 1.00 0.00 C ATOM 891 CD ARG A 61 -8.012 -12.311 8.868 1.00 0.00 C ATOM 892 NE ARG A 61 -9.245 -12.913 9.369 1.00 0.00 N ATOM 893 CZ ARG A 61 -10.327 -13.102 8.621 1.00 0.00 C ATOM 894 NH1 ARG A 61 -10.328 -12.738 7.346 1.00 0.00 N ATOM 895 NH2 ARG A 61 -11.411 -13.655 9.149 1.00 0.00 N ATOM 0 H ARG A 61 -8.316 -7.905 7.003 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.275 -8.790 8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.672 -10.287 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.311 -10.921 7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.915 -10.330 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.153 -10.537 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.765 -12.745 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.191 -12.551 9.544 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.277 -13.204 10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.497 -12.312 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.160 -12.884 6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.414 -13.935 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.241 -13.800 8.574 1.00 0.00 H new ATOM 909 N ILE A 62 -5.812 -7.325 6.277 1.00 0.00 N ATOM 910 CA ILE A 62 -4.850 -6.844 5.293 1.00 0.00 C ATOM 911 C ILE A 62 -3.730 -6.053 5.960 1.00 0.00 C ATOM 912 O ILE A 62 -2.579 -6.489 5.989 1.00 0.00 O ATOM 913 CB ILE A 62 -5.527 -5.958 4.230 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.596 -6.753 3.478 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.490 -5.406 3.263 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.518 -5.889 2.646 1.00 0.00 C ATOM 0 H ILE A 62 -6.632 -6.730 6.391 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.430 -7.724 4.806 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.011 -5.119 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.107 -7.479 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.190 -7.317 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.983 -4.782 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.762 -4.809 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.981 -6.231 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.250 -6.519 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.034 -5.180 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.935 -5.344 1.904 1.00 0.00 H new ATOM 928 N LYS A 63 -4.075 -4.888 6.497 1.00 0.00 N ATOM 929 CA LYS A 63 -3.101 -4.035 7.168 1.00 0.00 C ATOM 930 C LYS A 63 -2.228 -4.850 8.117 1.00 0.00 C ATOM 931 O LYS A 63 -1.000 -4.762 8.099 1.00 0.00 O ATOM 932 CB LYS A 63 -3.812 -2.922 7.941 1.00 0.00 C ATOM 933 CG LYS A 63 -3.127 -2.553 9.245 1.00 0.00 C ATOM 934 CD LYS A 63 -3.944 -1.549 10.039 1.00 0.00 C ATOM 935 CE LYS A 63 -3.054 -0.639 10.872 1.00 0.00 C ATOM 936 NZ LYS A 63 -2.661 0.588 10.125 1.00 0.00 N ATOM 0 H LYS A 63 -5.023 -4.512 6.481 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.462 -3.588 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.874 -2.036 7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.834 -3.235 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.972 -3.451 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.142 -2.137 9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.545 -0.947 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.638 -2.078 10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.577 -0.356 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.159 -1.183 11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.786 0.976 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.503 0.350 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.420 1.296 10.196 1.00 0.00 H new ATOM 950 N PRO A 64 -2.874 -5.662 8.967 1.00 0.00 N ATOM 951 CA PRO A 64 -2.175 -6.509 9.938 1.00 0.00 C ATOM 952 C PRO A 64 -1.026 -7.288 9.307 1.00 0.00 C ATOM 953 O PRO A 64 0.131 -7.128 9.695 1.00 0.00 O ATOM 954 CB PRO A 64 -3.266 -7.467 10.423 1.00 0.00 C ATOM 955 CG PRO A 64 -4.541 -6.723 10.219 1.00 0.00 C ATOM 956 CD PRO A 64 -4.336 -5.817 9.044 1.00 0.00 C ATOM 0 HA PRO A 64 -1.717 -5.923 10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.256 -8.398 9.856 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.124 -7.730 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.365 -7.413 10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.799 -6.148 11.109 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.740 -6.251 8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.832 -4.857 9.188 1.00 0.00 H new ATOM 964 N ALA A 65 -1.352 -8.130 8.332 1.00 0.00 N ATOM 965 CA ALA A 65 -0.347 -8.931 7.646 1.00 0.00 C ATOM 966 C ALA A 65 0.770 -8.053 7.091 1.00 0.00 C ATOM 967 O ALA A 65 1.952 -8.365 7.242 1.00 0.00 O ATOM 968 CB ALA A 65 -0.989 -9.740 6.528 1.00 0.00 C ATOM 0 H ALA A 65 -2.305 -8.275 8.000 1.00 0.00 H new ATOM 0 HA ALA A 65 0.091 -9.617 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.226 -10.334 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.746 -10.403 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.455 -9.064 5.811 1.00 0.00 H new ATOM 974 N VAL A 66 0.389 -6.954 6.449 1.00 0.00 N ATOM 975 CA VAL A 66 1.359 -6.030 5.872 1.00 0.00 C ATOM 976 C VAL A 66 2.385 -5.592 6.911 1.00 0.00 C ATOM 977 O VAL A 66 3.584 -5.550 6.633 1.00 0.00 O ATOM 978 CB VAL A 66 0.668 -4.782 5.291 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.701 -3.789 4.782 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.297 -5.176 4.182 1.00 0.00 C ATOM 0 H VAL A 66 -0.585 -6.681 6.315 1.00 0.00 H new ATOM 0 HA VAL A 66 1.865 -6.563 5.068 1.00 0.00 H new ATOM 0 HB VAL A 66 0.097 -4.301 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.195 -2.914 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.349 -3.484 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.301 -4.256 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.777 -4.282 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.250 -5.681 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.057 -5.847 4.582 1.00 0.00 H new ATOM 990 N ILE A 67 1.907 -5.267 8.107 1.00 0.00 N ATOM 991 CA ILE A 67 2.783 -4.834 9.188 1.00 0.00 C ATOM 992 C ILE A 67 3.869 -5.869 9.464 1.00 0.00 C ATOM 993 O ILE A 67 5.041 -5.528 9.624 1.00 0.00 O ATOM 994 CB ILE A 67 1.994 -4.576 10.484 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.971 -3.458 10.271 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.942 -4.225 11.621 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.058 -3.362 11.375 1.00 0.00 C ATOM 0 H ILE A 67 0.917 -5.295 8.352 1.00 0.00 H new ATOM 0 HA ILE A 67 3.246 -3.902 8.864 1.00 0.00 H new ATOM 0 HB ILE A 67 1.458 -5.486 10.752 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.496 -2.506 10.191 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.460 -3.620 9.322 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.369 -4.045 12.530 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.634 -5.051 11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.503 -3.327 11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.750 -2.548 11.158 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.610 -4.300 11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.443 -3.168 12.324 1.00 0.00 H new ATOM 1009 N LYS A 68 3.471 -7.136 9.517 1.00 0.00 N ATOM 1010 CA LYS A 68 4.409 -8.223 9.771 1.00 0.00 C ATOM 1011 C LYS A 68 5.448 -8.315 8.658 1.00 0.00 C ATOM 1012 O LYS A 68 6.619 -8.601 8.911 1.00 0.00 O ATOM 1013 CB LYS A 68 3.660 -9.551 9.895 1.00 0.00 C ATOM 1014 CG LYS A 68 4.393 -10.587 10.730 1.00 0.00 C ATOM 1015 CD LYS A 68 3.559 -11.843 10.918 1.00 0.00 C ATOM 1016 CE LYS A 68 4.420 -13.027 11.331 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.602 -14.142 11.883 1.00 0.00 N ATOM 0 H LYS A 68 2.505 -7.435 9.387 1.00 0.00 H new ATOM 0 HA LYS A 68 4.924 -8.014 10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.681 -9.366 10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.488 -9.956 8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.336 -10.844 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.639 -10.163 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.796 -11.664 11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.038 -12.077 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.985 -13.383 10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.146 -12.705 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.225 -14.930 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.082 -13.810 12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.926 -14.467 11.162 1.00 0.00 H new ATOM 1031 N TYR A 69 5.013 -8.070 7.427 1.00 0.00 N ATOM 1032 CA TYR A 69 5.907 -8.127 6.276 1.00 0.00 C ATOM 1033 C TYR A 69 6.866 -6.941 6.272 1.00 0.00 C ATOM 1034 O TYR A 69 8.050 -7.086 5.966 1.00 0.00 O ATOM 1035 CB TYR A 69 5.098 -8.148 4.977 1.00 0.00 C ATOM 1036 CG TYR A 69 5.934 -7.910 3.740 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.456 -6.653 3.462 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.202 -8.943 2.850 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.220 -6.431 2.332 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.965 -8.730 1.718 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.471 -7.473 1.463 1.00 0.00 C ATOM 1042 OH TYR A 69 8.232 -7.256 0.338 1.00 0.00 O ATOM 0 H TYR A 69 4.048 -7.830 7.200 1.00 0.00 H new ATOM 0 HA TYR A 69 6.492 -9.044 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.596 -9.111 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.319 -7.387 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.261 -5.835 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.807 -9.929 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.618 -5.448 2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.164 -9.544 1.036 1.00 0.00 H new ATOM 0 HH TYR A 69 8.422 -8.113 -0.098 1.00 0.00 H new ATOM 1052 N LEU A 70 6.346 -5.767 6.614 1.00 0.00 N ATOM 1053 CA LEU A 70 7.155 -4.553 6.651 1.00 0.00 C ATOM 1054 C LEU A 70 8.308 -4.698 7.640 1.00 0.00 C ATOM 1055 O LEU A 70 9.477 -4.626 7.259 1.00 0.00 O ATOM 1056 CB LEU A 70 6.289 -3.351 7.031 1.00 0.00 C ATOM 1057 CG LEU A 70 5.272 -2.898 5.983 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.377 -1.805 6.545 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.980 -2.417 4.725 1.00 0.00 C ATOM 0 H LEU A 70 5.368 -5.630 6.870 1.00 0.00 H new ATOM 0 HA LEU A 70 7.572 -4.392 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.752 -3.591 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.947 -2.512 7.256 1.00 0.00 H new ATOM 0 HG LEU A 70 4.647 -3.751 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.660 -1.495 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.842 -2.185 7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.987 -0.950 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.240 -2.099 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.631 -1.578 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.577 -3.229 4.310 1.00 0.00 H new ATOM 1071 N ILE A 71 7.970 -4.902 8.908 1.00 0.00 N ATOM 1072 CA ILE A 71 8.977 -5.060 9.950 1.00 0.00 C ATOM 1073 C ILE A 71 10.061 -6.043 9.523 1.00 0.00 C ATOM 1074 O ILE A 71 11.251 -5.789 9.707 1.00 0.00 O ATOM 1075 CB ILE A 71 8.350 -5.546 11.270 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.299 -4.548 11.759 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.427 -5.749 12.325 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.367 -5.115 12.807 1.00 0.00 C ATOM 0 H ILE A 71 7.007 -4.962 9.239 1.00 0.00 H new ATOM 0 HA ILE A 71 9.423 -4.078 10.109 1.00 0.00 H new ATOM 0 HB ILE A 71 7.859 -6.503 11.091 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.804 -3.673 12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.710 -4.207 10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.968 -6.092 13.252 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.142 -6.494 11.976 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.944 -4.806 12.504 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.649 -4.352 13.107 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.835 -5.972 12.395 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.945 -5.430 13.676 1.00 0.00 H new ATOM 1090 N SER A 72 9.641 -7.166 8.950 1.00 0.00 N ATOM 1091 CA SER A 72 10.576 -8.190 8.497 1.00 0.00 C ATOM 1092 C SER A 72 11.694 -7.573 7.662 1.00 0.00 C ATOM 1093 O SER A 72 12.876 -7.734 7.970 1.00 0.00 O ATOM 1094 CB SER A 72 9.843 -9.256 7.681 1.00 0.00 C ATOM 1095 OG SER A 72 8.932 -9.980 8.489 1.00 0.00 O ATOM 0 H SER A 72 8.659 -7.390 8.788 1.00 0.00 H new ATOM 0 HA SER A 72 11.018 -8.658 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.307 -8.784 6.858 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.566 -9.941 7.239 1.00 0.00 H new ATOM 0 HG SER A 72 8.077 -9.503 8.526 1.00 0.00 H new ATOM 1101 N HIS A 73 11.312 -6.865 6.604 1.00 0.00 N ATOM 1102 CA HIS A 73 12.281 -6.223 5.723 1.00 0.00 C ATOM 1103 C HIS A 73 12.765 -4.904 6.318 1.00 0.00 C ATOM 1104 O HIS A 73 13.479 -4.143 5.666 1.00 0.00 O ATOM 1105 CB HIS A 73 11.666 -5.979 4.345 1.00 0.00 C ATOM 1106 CG HIS A 73 11.738 -7.169 3.438 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.757 -7.473 2.517 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.681 -8.132 3.313 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.093 -8.573 1.866 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.257 -8.992 2.330 1.00 0.00 N ATOM 0 H HIS A 73 10.338 -6.721 6.336 1.00 0.00 H new ATOM 0 HA HIS A 73 13.137 -6.890 5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.623 -5.689 4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.176 -5.140 3.872 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.905 -6.933 2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.596 -8.210 3.881 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.515 -9.048 1.088 1.00 0.00 H new ATOM 1118 N SER A 74 12.371 -4.640 7.560 1.00 0.00 N ATOM 1119 CA SER A 74 12.760 -3.411 8.241 1.00 0.00 C ATOM 1120 C SER A 74 12.233 -2.188 7.498 1.00 0.00 C ATOM 1121 O SER A 74 12.937 -1.190 7.342 1.00 0.00 O ATOM 1122 CB SER A 74 14.284 -3.331 8.361 1.00 0.00 C ATOM 1123 OG SER A 74 14.790 -4.395 9.148 1.00 0.00 O ATOM 0 H SER A 74 11.782 -5.261 8.115 1.00 0.00 H new ATOM 0 HA SER A 74 12.323 -3.424 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.732 -3.364 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.567 -2.378 8.807 1.00 0.00 H new ATOM 0 HG SER A 74 15.765 -4.322 9.208 1.00 0.00 H new ATOM 1129 N PHE A 75 10.988 -2.273 7.040 1.00 0.00 N ATOM 1130 CA PHE A 75 10.364 -1.174 6.312 1.00 0.00 C ATOM 1131 C PHE A 75 9.789 -0.140 7.276 1.00 0.00 C ATOM 1132 O PHE A 75 8.870 -0.433 8.041 1.00 0.00 O ATOM 1133 CB PHE A 75 9.260 -1.703 5.395 1.00 0.00 C ATOM 1134 CG PHE A 75 9.758 -2.140 4.047 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.338 -1.228 3.180 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.647 -3.462 3.648 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.796 -1.627 1.938 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.104 -3.867 2.408 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.680 -2.948 1.552 1.00 0.00 C ATOM 0 H PHE A 75 10.391 -3.092 7.160 1.00 0.00 H new ATOM 0 HA PHE A 75 11.130 -0.692 5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.767 -2.545 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.507 -0.926 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.433 -0.194 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.198 -4.185 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.244 -0.906 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.011 -4.900 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.039 -3.262 0.583 1.00 0.00 H new ATOM 1149 N ARG A 76 10.337 1.070 7.233 1.00 0.00 N ATOM 1150 CA ARG A 76 9.881 2.147 8.104 1.00 0.00 C ATOM 1151 C ARG A 76 8.513 2.659 7.663 1.00 0.00 C ATOM 1152 O ARG A 76 8.205 2.691 6.471 1.00 0.00 O ATOM 1153 CB ARG A 76 10.891 3.295 8.102 1.00 0.00 C ATOM 1154 CG ARG A 76 10.763 4.221 9.301 1.00 0.00 C ATOM 1155 CD ARG A 76 11.576 3.718 10.483 1.00 0.00 C ATOM 1156 NE ARG A 76 11.725 4.737 11.518 1.00 0.00 N ATOM 1157 CZ ARG A 76 12.689 4.722 12.432 1.00 0.00 C ATOM 1158 NH1 ARG A 76 13.585 3.744 12.438 1.00 0.00 N ATOM 1159 NH2 ARG A 76 12.759 5.685 13.341 1.00 0.00 N ATOM 0 H ARG A 76 11.097 1.329 6.604 1.00 0.00 H new ATOM 0 HA ARG A 76 9.794 1.751 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.899 2.881 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.765 3.877 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.098 5.221 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.715 4.304 9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.092 2.838 10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.561 3.405 10.138 1.00 0.00 H new ATOM 0 HE ARG A 76 11.052 5.503 11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.535 3.002 11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.324 3.734 13.140 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.072 6.439 13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.500 5.672 14.042 1.00 0.00 H new ATOM 1173 N PHE A 77 7.695 3.057 8.632 1.00 0.00 N ATOM 1174 CA PHE A 77 6.359 3.565 8.345 1.00 0.00 C ATOM 1175 C PHE A 77 5.757 4.237 9.575 1.00 0.00 C ATOM 1176 O PHE A 77 6.189 3.995 10.702 1.00 0.00 O ATOM 1177 CB PHE A 77 5.449 2.430 7.872 1.00 0.00 C ATOM 1178 CG PHE A 77 5.189 1.392 8.926 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.238 0.706 9.515 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.894 1.103 9.328 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.002 -0.250 10.486 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.652 0.149 10.298 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.707 -0.529 10.877 1.00 0.00 C ATOM 0 H PHE A 77 7.934 3.037 9.623 1.00 0.00 H new ATOM 0 HA PHE A 77 6.443 4.308 7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.498 2.850 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.901 1.950 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.252 0.920 9.212 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.065 1.629 8.878 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.829 -0.778 10.938 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.639 -0.066 10.603 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.520 -1.276 11.634 1.00 0.00 H new ATOM 1193 N SER A 78 4.756 5.083 9.350 1.00 0.00 N ATOM 1194 CA SER A 78 4.096 5.793 10.439 1.00 0.00 C ATOM 1195 C SER A 78 2.600 5.925 10.173 1.00 0.00 C ATOM 1196 O SER A 78 2.186 6.390 9.112 1.00 0.00 O ATOM 1197 CB SER A 78 4.717 7.180 10.621 1.00 0.00 C ATOM 1198 OG SER A 78 5.970 7.095 11.279 1.00 0.00 O ATOM 0 H SER A 78 4.385 5.293 8.423 1.00 0.00 H new ATOM 0 HA SER A 78 4.236 5.217 11.354 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.845 7.655 9.648 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.042 7.812 11.198 1.00 0.00 H new ATOM 0 HG SER A 78 6.248 6.157 11.333 1.00 0.00 H new ATOM 1204 N GLU A 79 1.794 5.512 11.147 1.00 0.00 N ATOM 1205 CA GLU A 79 0.343 5.583 11.018 1.00 0.00 C ATOM 1206 C GLU A 79 -0.154 7.008 11.242 1.00 0.00 C ATOM 1207 O GLU A 79 -0.187 7.494 12.373 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.327 4.635 12.015 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.732 4.221 11.612 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.535 3.672 12.776 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.298 4.113 13.920 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.399 2.801 12.543 1.00 0.00 O ATOM 0 H GLU A 79 2.121 5.125 12.033 1.00 0.00 H new ATOM 0 HA GLU A 79 0.079 5.279 10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.288 3.742 12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.366 5.117 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.253 5.080 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.674 3.466 10.828 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.539 7.671 10.157 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.035 9.040 10.235 1.00 0.00 C ATOM 1221 C ILE A 80 -2.558 9.070 10.302 1.00 0.00 C ATOM 1222 O ILE A 80 -3.147 9.989 10.870 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.569 9.877 9.028 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.851 9.131 7.723 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.913 10.201 9.149 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.830 10.022 6.501 1.00 0.00 C ATOM 0 H ILE A 80 -0.517 7.283 9.214 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.625 9.473 11.148 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.127 10.814 9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.111 8.340 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.825 8.648 7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.227 10.793 8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.088 10.768 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.487 9.275 9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.038 9.426 5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.589 10.798 6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.152 10.485 6.405 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.190 8.057 9.719 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.645 7.964 9.715 1.00 0.00 C ATOM 1240 C LYS A 81 -5.102 6.563 10.108 1.00 0.00 C ATOM 1241 O LYS A 81 -4.396 5.574 9.908 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.195 8.322 8.333 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.489 9.499 7.683 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.423 10.273 6.767 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.794 9.462 5.535 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.026 9.981 4.880 1.00 0.00 N ATOM 0 H LYS A 81 -2.717 7.289 9.243 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.031 8.672 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.109 7.453 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.257 8.550 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.102 10.164 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.632 9.141 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.327 10.543 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.945 11.204 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.968 9.483 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.944 8.420 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.245 9.402 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.820 9.937 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.874 10.967 4.587 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.312 6.472 10.681 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.890 5.197 11.112 1.00 0.00 C ATOM 1262 C PRO A 82 -7.273 4.306 9.935 1.00 0.00 C ATOM 1263 O PRO A 82 -7.825 3.222 10.118 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.138 5.618 11.892 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.505 6.948 11.329 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.208 7.609 10.951 1.00 0.00 C ATOM 0 HA PRO A 82 -6.184 4.607 11.697 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.946 4.898 11.765 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.934 5.683 12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.155 6.839 10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.049 7.545 12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.323 8.247 10.075 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.828 8.238 11.756 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.976 4.771 8.726 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.296 4.004 7.536 1.00 0.00 C ATOM 1276 C GLY A 83 -6.268 4.183 6.437 1.00 0.00 C ATOM 1277 O GLY A 83 -6.542 3.902 5.269 1.00 0.00 O ATOM 0 H GLY A 83 -6.519 5.666 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.365 2.948 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.276 4.306 7.166 1.00 0.00 H new ATOM 1281 N CYS A 84 -5.082 4.652 6.809 1.00 0.00 N ATOM 1282 CA CYS A 84 -4.010 4.871 5.844 1.00 0.00 C ATOM 1283 C CYS A 84 -2.659 4.477 6.434 1.00 0.00 C ATOM 1284 O CYS A 84 -2.479 4.475 7.653 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.980 6.335 5.406 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.362 6.591 3.726 1.00 0.00 S ATOM 0 H CYS A 84 -4.838 4.888 7.771 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.204 4.243 4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.987 6.745 5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.357 6.898 6.101 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.377 7.861 3.447 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.714 4.142 5.563 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.379 3.744 5.997 1.00 0.00 C ATOM 1294 C LEU A 85 0.691 4.370 5.109 1.00 0.00 C ATOM 1295 O LEU A 85 0.576 4.369 3.884 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.248 2.221 5.977 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.907 1.475 7.138 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.740 -0.028 6.971 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.324 1.933 8.466 1.00 0.00 C ATOM 0 H LEU A 85 -1.847 4.138 4.552 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.233 4.101 7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.676 1.852 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.812 1.968 5.964 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.973 1.704 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.215 -0.542 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.206 -0.344 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.321 -0.276 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.805 1.391 9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.748 1.734 8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.496 3.002 8.590 1.00 0.00 H new ATOM 1311 N LYS A 86 1.735 4.903 5.736 1.00 0.00 N ATOM 1312 CA LYS A 86 2.829 5.530 5.004 1.00 0.00 C ATOM 1313 C LYS A 86 4.122 4.739 5.176 1.00 0.00 C ATOM 1314 O LYS A 86 4.646 4.618 6.283 1.00 0.00 O ATOM 1315 CB LYS A 86 3.032 6.969 5.483 1.00 0.00 C ATOM 1316 CG LYS A 86 4.157 7.695 4.766 1.00 0.00 C ATOM 1317 CD LYS A 86 4.164 9.178 5.098 1.00 0.00 C ATOM 1318 CE LYS A 86 5.508 9.815 4.778 1.00 0.00 C ATOM 1319 NZ LYS A 86 6.597 9.276 5.640 1.00 0.00 N ATOM 0 H LYS A 86 1.846 4.913 6.750 1.00 0.00 H new ATOM 0 HA LYS A 86 2.567 5.539 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.105 7.524 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.240 6.961 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.113 7.254 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.049 7.563 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.378 9.682 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.937 9.316 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.753 9.639 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.439 10.895 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.044 10.056 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.199 8.590 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.309 8.805 5.046 1.00 0.00 H new ATOM 1333 N VAL A 87 4.633 4.202 4.072 1.00 0.00 N ATOM 1334 CA VAL A 87 5.866 3.424 4.100 1.00 0.00 C ATOM 1335 C VAL A 87 6.949 4.081 3.253 1.00 0.00 C ATOM 1336 O VAL A 87 6.718 4.435 2.097 1.00 0.00 O ATOM 1337 CB VAL A 87 5.635 1.987 3.595 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.942 1.209 3.584 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.593 1.283 4.451 1.00 0.00 C ATOM 0 H VAL A 87 4.212 4.292 3.147 1.00 0.00 H new ATOM 0 HA VAL A 87 6.194 3.387 5.139 1.00 0.00 H new ATOM 0 HB VAL A 87 5.260 2.035 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.760 0.196 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.655 1.705 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.349 1.168 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.442 0.269 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.937 1.244 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.652 1.831 4.402 1.00 0.00 H new ATOM 1349 N MET A 88 8.133 4.241 3.836 1.00 0.00 N ATOM 1350 CA MET A 88 9.254 4.855 3.133 1.00 0.00 C ATOM 1351 C MET A 88 9.950 3.841 2.230 1.00 0.00 C ATOM 1352 O MET A 88 10.404 2.793 2.690 1.00 0.00 O ATOM 1353 CB MET A 88 10.255 5.436 4.133 1.00 0.00 C ATOM 1354 CG MET A 88 9.709 6.613 4.925 1.00 0.00 C ATOM 1355 SD MET A 88 9.364 8.047 3.887 1.00 0.00 S ATOM 1356 CE MET A 88 11.012 8.716 3.675 1.00 0.00 C ATOM 0 H MET A 88 8.341 3.954 4.793 1.00 0.00 H new ATOM 0 HA MET A 88 8.863 5.661 2.512 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.560 4.652 4.826 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.149 5.753 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.795 6.310 5.435 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.427 6.892 5.696 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.957 9.648 3.113 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.456 8.907 4.652 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.628 8.000 3.130 1.00 0.00 H new ATOM 1366 N LEU A 89 10.029 4.159 0.942 1.00 0.00 N ATOM 1367 CA LEU A 89 10.670 3.276 -0.026 1.00 0.00 C ATOM 1368 C LEU A 89 12.183 3.262 0.168 1.00 0.00 C ATOM 1369 O LEU A 89 12.843 4.297 0.066 1.00 0.00 O ATOM 1370 CB LEU A 89 10.331 3.717 -1.451 1.00 0.00 C ATOM 1371 CG LEU A 89 8.845 3.731 -1.813 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.634 4.369 -3.177 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.276 2.320 -1.788 1.00 0.00 C ATOM 0 H LEU A 89 9.657 5.022 0.544 1.00 0.00 H new ATOM 0 HA LEU A 89 10.292 2.266 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.732 4.719 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.848 3.057 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 89 8.316 4.327 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.571 4.370 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.003 5.394 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.176 3.800 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.218 2.350 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.809 1.700 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.393 1.898 -0.790 1.00 0.00 H new ATOM 1385 N LYS A 90 12.728 2.082 0.445 1.00 0.00 N ATOM 1386 CA LYS A 90 14.164 1.931 0.649 1.00 0.00 C ATOM 1387 C LYS A 90 14.944 2.503 -0.530 1.00 0.00 C ATOM 1388 O LYS A 90 14.678 2.168 -1.684 1.00 0.00 O ATOM 1389 CB LYS A 90 14.520 0.456 0.842 1.00 0.00 C ATOM 1390 CG LYS A 90 14.158 -0.083 2.215 1.00 0.00 C ATOM 1391 CD LYS A 90 14.488 -1.561 2.340 1.00 0.00 C ATOM 1392 CE LYS A 90 14.591 -1.988 3.796 1.00 0.00 C ATOM 1393 NZ LYS A 90 15.434 -3.205 3.959 1.00 0.00 N ATOM 0 H LYS A 90 12.196 1.216 0.533 1.00 0.00 H new ATOM 0 HA LYS A 90 14.438 2.485 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.008 -0.135 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.590 0.325 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.696 0.477 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.094 0.070 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.719 -2.150 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.429 -1.769 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.012 -1.173 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.593 -2.182 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.962 -3.870 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.571 -3.659 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.358 -2.937 4.353 1.00 0.00 H new ATOM 1407 N SER A 91 15.909 3.368 -0.232 1.00 0.00 N ATOM 1408 CA SER A 91 16.726 3.988 -1.268 1.00 0.00 C ATOM 1409 C SER A 91 17.673 2.969 -1.895 1.00 0.00 C ATOM 1410 O SER A 91 17.757 2.853 -3.117 1.00 0.00 O ATOM 1411 CB SER A 91 17.527 5.154 -0.685 1.00 0.00 C ATOM 1412 OG SER A 91 18.258 4.750 0.460 1.00 0.00 O ATOM 0 H SER A 91 16.144 3.655 0.718 1.00 0.00 H new ATOM 0 HA SER A 91 16.060 4.365 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.212 5.542 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.851 5.967 -0.420 1.00 0.00 H new ATOM 0 HG SER A 91 18.762 5.513 0.812 1.00 0.00 H new ATOM 1418 N GLY A 92 18.385 2.232 -1.048 1.00 0.00 N ATOM 1419 CA GLY A 92 19.317 1.233 -1.537 1.00 0.00 C ATOM 1420 C GLY A 92 18.616 0.014 -2.103 1.00 0.00 C ATOM 1421 O GLY A 92 17.570 -0.411 -1.612 1.00 0.00 O ATOM 0 H GLY A 92 18.333 2.309 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.948 1.676 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 92 19.975 0.925 -0.724 1.00 0.00 H new ATOM 1425 N PRO A 93 19.196 -0.568 -3.163 1.00 0.00 N ATOM 1426 CA PRO A 93 18.636 -1.753 -3.820 1.00 0.00 C ATOM 1427 C PRO A 93 18.743 -3.002 -2.952 1.00 0.00 C ATOM 1428 O PRO A 93 18.163 -4.041 -3.269 1.00 0.00 O ATOM 1429 CB PRO A 93 19.496 -1.901 -5.078 1.00 0.00 C ATOM 1430 CG PRO A 93 20.788 -1.244 -4.732 1.00 0.00 C ATOM 1431 CD PRO A 93 20.443 -0.115 -3.801 1.00 0.00 C ATOM 0 HA PRO A 93 17.572 -1.640 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.642 -2.950 -5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 93 19.026 -1.423 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.469 -1.949 -4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 93 21.289 -0.873 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 93 21.231 0.056 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 93 20.301 0.822 -4.340 1.00 0.00 H new ATOM 1439 N SER A 94 19.487 -2.894 -1.856 1.00 0.00 N ATOM 1440 CA SER A 94 19.672 -4.016 -0.944 1.00 0.00 C ATOM 1441 C SER A 94 18.327 -4.597 -0.518 1.00 0.00 C ATOM 1442 O SER A 94 17.526 -3.926 0.133 1.00 0.00 O ATOM 1443 CB SER A 94 20.463 -3.574 0.288 1.00 0.00 C ATOM 1444 OG SER A 94 20.894 -4.692 1.045 1.00 0.00 O ATOM 0 H SER A 94 19.972 -2.041 -1.578 1.00 0.00 H new ATOM 0 HA SER A 94 20.233 -4.790 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 94 21.327 -2.986 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.843 -2.927 0.909 1.00 0.00 H new ATOM 0 HG SER A 94 21.399 -4.383 1.826 1.00 0.00 H new ATOM 1450 N SER A 95 18.086 -5.850 -0.889 1.00 0.00 N ATOM 1451 CA SER A 95 16.837 -6.522 -0.550 1.00 0.00 C ATOM 1452 C SER A 95 17.104 -7.919 0.002 1.00 0.00 C ATOM 1453 O SER A 95 18.133 -8.528 -0.291 1.00 0.00 O ATOM 1454 CB SER A 95 15.931 -6.611 -1.779 1.00 0.00 C ATOM 1455 OG SER A 95 15.158 -5.433 -1.929 1.00 0.00 O ATOM 0 H SER A 95 18.740 -6.421 -1.425 1.00 0.00 H new ATOM 0 HA SER A 95 16.335 -5.936 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.537 -6.768 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.271 -7.474 -1.686 1.00 0.00 H new ATOM 0 HG SER A 95 14.589 -5.514 -2.723 1.00 0.00 H new ATOM 1461 N GLY A 96 16.169 -8.422 0.802 1.00 0.00 N ATOM 1462 CA GLY A 96 16.321 -9.743 1.383 1.00 0.00 C ATOM 1463 C GLY A 96 16.089 -10.850 0.373 1.00 0.00 C ATOM 1464 O GLY A 96 15.662 -10.593 -0.752 1.00 0.00 O ATOM 0 H GLY A 96 15.309 -7.938 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.323 -9.840 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.619 -9.856 2.209 1.00 0.00 H new TER 1468 GLY A 96