USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 812 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 22 HIS : no HD1:sc= -0.222 X(o=-0.18,f=-0.35) USER MOD Set 1.2: A 81 SER OG : rot -139:sc= 0.0407 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -3.35 K(o=-10,f=-13!) USER MOD Set 2.2: A 66 GLN : amide:sc= -7! C(o=-10!,f=-14!) USER MOD Set 3.1: A 53 SER OG : rot 140:sc= 0 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -122:sc= -2.33 (180deg=-5.17!) USER MOD Set 4.1: A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Set 4.2: A 48 MET CE :methyl -166:sc= 0 (180deg=-0.234) USER MOD Set 5.1: A 30 MET CE :methyl -175:sc= -0.303 (180deg=-0.0671) USER MOD Set 5.2: A 31 ASN : amide:sc= -2.1! X(o=-2.4!,f=-2.1) USER MOD Set 6.1: A 17 LYS NZ :NH3+ 144:sc= -0.0832 (180deg=-0.669) USER MOD Set 6.2: A 21 GLN : amide:sc= -0.341 X(o=-0.42,f=-0.48) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.167 (180deg=-0.91) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 37:sc= 0.365 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.34) USER MOD Single : A 13 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.089) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 20 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 24 GLN : amide:sc= -5.65! K(o=-5.6!,f=-1.1) USER MOD Single : A 27 GLN : amide:sc= -0.0813 K(o=-0.081,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= -0.261 (180deg=-1.61!) USER MOD Single : A 29 ASN : amide:sc= -2.12! C(o=-2.1!,f=-9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -1 K(o=-1,f=-1.9!) USER MOD Single : A 38 GLN : amide:sc= -0.0678 K(o=-0.068,f=-1.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.9!) USER MOD Single : A 49 GLN : amide:sc= -3.32! C(o=-3.3!,f=-2.5!) USER MOD Single : A 58 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4.1!) USER MOD Single : A 60 MET CE :methyl 152:sc= -2.63 (180deg=-4.57!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.94! K(o=-2.9!,f=-0.83) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 74 GLN : amide:sc= -13.2! C(o=-13!,f=-17!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.0725 K(o=0.072,f=-0.8) USER MOD Single : A 83 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.068) USER MOD Single : A 84 ASN : amide:sc= -0.0327 K(o=-0.033,f=-1.1) USER MOD Single : A 86 HIS : no HE2:sc= -0.735 K(o=-0.73,f=-2.9!) USER MOD Single : A 88 ASN : amide:sc= -8.27! C(o=-8.3!,f=-17!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.29 X(o=-0.29,f=0.055) USER MOD Single : A 95 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-4.1!) USER MOD Single : A 101 HIS : no HD1:sc= -0.775 X(o=-0.78,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.963 -19.132 -9.182 1.00 0.00 N ATOM 2 CA MET A 1 3.502 -17.777 -9.487 1.00 0.00 C ATOM 3 C MET A 1 2.695 -17.151 -10.625 1.00 0.00 C ATOM 4 O MET A 1 3.133 -17.105 -11.759 1.00 0.00 O ATOM 5 CB MET A 1 4.970 -17.893 -9.904 1.00 0.00 C ATOM 6 CG MET A 1 5.535 -16.499 -10.181 1.00 0.00 C ATOM 7 SD MET A 1 7.143 -16.652 -11.000 1.00 0.00 S ATOM 8 CE MET A 1 6.526 -17.162 -12.623 1.00 0.00 C ATOM 0 H1 MET A 1 3.512 -19.558 -8.408 1.00 0.00 H new ATOM 0 H2 MET A 1 1.966 -19.053 -8.897 1.00 0.00 H new ATOM 0 H3 MET A 1 3.034 -19.733 -10.028 1.00 0.00 H new ATOM 0 HA MET A 1 3.426 -17.148 -8.600 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.545 -18.380 -9.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.058 -18.516 -10.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.847 -15.934 -10.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.641 -15.946 -9.248 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.261 -16.910 -13.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.354 -18.238 -12.625 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.590 -16.645 -12.835 1.00 0.00 H new ATOM 20 N TYR A 2 1.519 -16.666 -10.335 1.00 0.00 N ATOM 21 CA TYR A 2 0.687 -16.038 -11.400 1.00 0.00 C ATOM 22 C TYR A 2 1.418 -14.815 -11.955 1.00 0.00 C ATOM 23 O TYR A 2 1.621 -14.689 -13.146 1.00 0.00 O ATOM 24 CB TYR A 2 -0.656 -15.606 -10.806 1.00 0.00 C ATOM 25 CG TYR A 2 -0.735 -16.061 -9.369 1.00 0.00 C ATOM 26 CD1 TYR A 2 -0.601 -17.419 -9.058 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.937 -15.125 -8.347 1.00 0.00 C ATOM 28 CE1 TYR A 2 -0.671 -17.843 -7.725 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.006 -15.548 -7.014 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.873 -16.908 -6.704 1.00 0.00 C ATOM 31 OH TYR A 2 -0.940 -17.325 -5.389 1.00 0.00 O ATOM 0 H TYR A 2 1.098 -16.677 -9.406 1.00 0.00 H new ATOM 0 HA TYR A 2 0.514 -16.755 -12.203 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.760 -14.522 -10.863 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.476 -16.036 -11.381 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.444 -18.140 -9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.040 -14.077 -8.587 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.569 -18.891 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.162 -14.827 -6.225 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.307 -18.059 -5.246 1.00 0.00 H new ATOM 41 N GLY A 3 1.815 -13.914 -11.099 1.00 0.00 N ATOM 42 CA GLY A 3 2.533 -12.698 -11.575 1.00 0.00 C ATOM 43 C GLY A 3 1.674 -11.463 -11.303 1.00 0.00 C ATOM 44 O GLY A 3 2.172 -10.362 -11.185 1.00 0.00 O ATOM 0 H GLY A 3 1.673 -13.967 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.493 -12.606 -11.066 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.744 -12.781 -12.641 1.00 0.00 H new ATOM 48 N LYS A 4 0.385 -11.638 -11.202 1.00 0.00 N ATOM 49 CA LYS A 4 -0.503 -10.473 -10.937 1.00 0.00 C ATOM 50 C LYS A 4 0.077 -9.636 -9.799 1.00 0.00 C ATOM 51 O LYS A 4 0.028 -8.423 -9.828 1.00 0.00 O ATOM 52 CB LYS A 4 -1.895 -10.965 -10.544 1.00 0.00 C ATOM 53 CG LYS A 4 -2.489 -11.775 -11.696 1.00 0.00 C ATOM 54 CD LYS A 4 -3.548 -10.938 -12.416 1.00 0.00 C ATOM 55 CE LYS A 4 -4.229 -11.789 -13.490 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.598 -11.262 -13.747 1.00 0.00 N ATOM 0 H LYS A 4 -0.090 -12.536 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.574 -9.864 -11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.836 -11.579 -9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.540 -10.118 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.703 -12.065 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.934 -12.695 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.287 -10.575 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.087 -10.061 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.643 -11.772 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.283 -12.828 -13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.061 -11.840 -14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.155 -11.300 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.535 -10.277 -14.074 1.00 0.00 H new ATOM 70 N LEU A 5 0.628 -10.268 -8.795 1.00 0.00 N ATOM 71 CA LEU A 5 1.210 -9.485 -7.670 1.00 0.00 C ATOM 72 C LEU A 5 1.875 -8.240 -8.246 1.00 0.00 C ATOM 73 O LEU A 5 1.499 -7.127 -7.940 1.00 0.00 O ATOM 74 CB LEU A 5 2.262 -10.315 -6.927 1.00 0.00 C ATOM 75 CG LEU A 5 1.643 -11.569 -6.285 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.138 -11.393 -6.057 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.878 -12.777 -7.190 1.00 0.00 C ATOM 0 H LEU A 5 0.699 -11.282 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 5 0.420 -9.214 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.049 -10.611 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.730 -9.704 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 5 2.122 -11.725 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.269 -12.296 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.033 -10.544 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.356 -11.213 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.439 -13.664 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.414 -12.600 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.949 -12.929 -7.323 1.00 0.00 H new ATOM 89 N ASN A 6 2.852 -8.415 -9.093 1.00 0.00 N ATOM 90 CA ASN A 6 3.520 -7.233 -9.695 1.00 0.00 C ATOM 91 C ASN A 6 2.452 -6.183 -9.995 1.00 0.00 C ATOM 92 O ASN A 6 2.661 -5.000 -9.812 1.00 0.00 O ATOM 93 CB ASN A 6 4.223 -7.645 -10.989 1.00 0.00 C ATOM 94 CG ASN A 6 5.663 -7.132 -10.971 1.00 0.00 C ATOM 95 OD1 ASN A 6 6.195 -6.741 -11.991 1.00 0.00 O ATOM 96 ND2 ASN A 6 6.323 -7.120 -9.845 1.00 0.00 N ATOM 0 H ASN A 6 3.213 -9.321 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 6 4.262 -6.826 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.213 -8.730 -11.091 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.691 -7.239 -11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.285 -6.782 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.877 -7.448 -8.989 1.00 0.00 H new ATOM 103 N ASP A 7 1.293 -6.609 -10.431 1.00 0.00 N ATOM 104 CA ASP A 7 0.209 -5.629 -10.713 1.00 0.00 C ATOM 105 C ASP A 7 -0.220 -5.006 -9.387 1.00 0.00 C ATOM 106 O ASP A 7 -0.464 -3.820 -9.294 1.00 0.00 O ATOM 107 CB ASP A 7 -0.980 -6.342 -11.357 1.00 0.00 C ATOM 108 CG ASP A 7 -1.529 -5.486 -12.501 1.00 0.00 C ATOM 109 OD1 ASP A 7 -0.730 -4.970 -13.264 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.739 -5.361 -12.593 1.00 0.00 O ATOM 0 H ASP A 7 1.055 -7.586 -10.602 1.00 0.00 H new ATOM 0 HA ASP A 7 0.564 -4.859 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.672 -7.318 -11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.758 -6.518 -10.614 1.00 0.00 H new ATOM 115 N LEU A 8 -0.290 -5.800 -8.351 1.00 0.00 N ATOM 116 CA LEU A 8 -0.677 -5.262 -7.017 1.00 0.00 C ATOM 117 C LEU A 8 0.530 -4.523 -6.436 1.00 0.00 C ATOM 118 O LEU A 8 0.434 -3.394 -5.995 1.00 0.00 O ATOM 119 CB LEU A 8 -1.049 -6.423 -6.084 1.00 0.00 C ATOM 120 CG LEU A 8 -2.566 -6.479 -5.873 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.073 -5.130 -5.362 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.257 -6.819 -7.196 1.00 0.00 C ATOM 0 H LEU A 8 -0.095 -6.801 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.530 -4.591 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.700 -7.364 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.547 -6.301 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.794 -7.248 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.152 -5.179 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.588 -4.894 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.841 -4.354 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.336 -6.858 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.023 -6.054 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.905 -7.787 -7.552 1.00 0.00 H new ATOM 134 N LEU A 9 1.666 -5.164 -6.441 1.00 0.00 N ATOM 135 CA LEU A 9 2.901 -4.529 -5.902 1.00 0.00 C ATOM 136 C LEU A 9 3.190 -3.246 -6.677 1.00 0.00 C ATOM 137 O LEU A 9 3.201 -2.163 -6.125 1.00 0.00 O ATOM 138 CB LEU A 9 4.073 -5.500 -6.073 1.00 0.00 C ATOM 139 CG LEU A 9 5.363 -4.862 -5.555 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.283 -5.956 -5.014 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.079 -4.119 -6.687 1.00 0.00 C ATOM 0 H LEU A 9 1.792 -6.111 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 9 2.766 -4.293 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.872 -6.424 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.186 -5.765 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 9 5.116 -4.154 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.204 -5.506 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.783 -6.482 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.518 -6.661 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.995 -3.670 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.324 -4.820 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.428 -3.338 -7.078 1.00 0.00 H new ATOM 153 N GLU A 10 3.429 -3.358 -7.954 1.00 0.00 N ATOM 154 CA GLU A 10 3.721 -2.144 -8.765 1.00 0.00 C ATOM 155 C GLU A 10 2.633 -1.099 -8.521 1.00 0.00 C ATOM 156 O GLU A 10 2.907 0.014 -8.119 1.00 0.00 O ATOM 157 CB GLU A 10 3.748 -2.516 -10.248 1.00 0.00 C ATOM 158 CG GLU A 10 4.231 -1.317 -11.066 1.00 0.00 C ATOM 159 CD GLU A 10 5.278 -1.779 -12.080 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.890 -2.349 -13.086 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.453 -1.553 -11.834 1.00 0.00 O ATOM 0 H GLU A 10 3.435 -4.237 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 10 4.690 -1.736 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.408 -3.369 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.753 -2.817 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.390 -0.853 -11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.657 -0.561 -10.406 1.00 0.00 H new ATOM 168 N ASP A 11 1.398 -1.446 -8.760 1.00 0.00 N ATOM 169 CA ASP A 11 0.297 -0.469 -8.539 1.00 0.00 C ATOM 170 C ASP A 11 0.377 0.074 -7.112 1.00 0.00 C ATOM 171 O ASP A 11 0.140 1.241 -6.870 1.00 0.00 O ATOM 172 CB ASP A 11 -1.055 -1.155 -8.749 1.00 0.00 C ATOM 173 CG ASP A 11 -1.226 -1.514 -10.227 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.465 -1.002 -11.032 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.115 -2.292 -10.528 1.00 0.00 O ATOM 0 H ASP A 11 1.105 -2.363 -9.098 1.00 0.00 H new ATOM 0 HA ASP A 11 0.397 0.352 -9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.116 -2.055 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.862 -0.496 -8.429 1.00 0.00 H new ATOM 180 N LEU A 12 0.715 -0.758 -6.160 1.00 0.00 N ATOM 181 CA LEU A 12 0.811 -0.273 -4.756 1.00 0.00 C ATOM 182 C LEU A 12 2.028 0.643 -4.627 1.00 0.00 C ATOM 183 O LEU A 12 1.970 1.693 -4.020 1.00 0.00 O ATOM 184 CB LEU A 12 0.965 -1.470 -3.814 1.00 0.00 C ATOM 185 CG LEU A 12 1.560 -1.012 -2.480 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.694 0.099 -1.883 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.605 -2.194 -1.513 1.00 0.00 C ATOM 0 H LEU A 12 0.927 -1.746 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.091 0.278 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.005 -1.939 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.609 -2.222 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 12 2.569 -0.634 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.121 0.422 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.660 0.943 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.316 -0.276 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.028 -1.870 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.595 -2.570 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.224 -2.986 -1.935 1.00 0.00 H new ATOM 199 N GLN A 13 3.131 0.247 -5.196 1.00 0.00 N ATOM 200 CA GLN A 13 4.359 1.084 -5.112 1.00 0.00 C ATOM 201 C GLN A 13 4.143 2.391 -5.876 1.00 0.00 C ATOM 202 O GLN A 13 4.776 3.392 -5.605 1.00 0.00 O ATOM 203 CB GLN A 13 5.528 0.314 -5.724 1.00 0.00 C ATOM 204 CG GLN A 13 6.630 1.290 -6.135 1.00 0.00 C ATOM 205 CD GLN A 13 7.889 0.502 -6.493 1.00 0.00 C ATOM 206 OE1 GLN A 13 8.588 0.838 -7.428 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.210 -0.543 -5.780 1.00 0.00 N ATOM 0 H GLN A 13 3.235 -0.623 -5.717 1.00 0.00 H new ATOM 0 HA GLN A 13 4.578 1.315 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.917 -0.407 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.189 -0.252 -6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.305 1.887 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.840 1.984 -5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.623 -0.825 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.048 -1.078 -6.008 1.00 0.00 H new ATOM 216 N GLU A 14 3.252 2.393 -6.831 1.00 0.00 N ATOM 217 CA GLU A 14 2.996 3.638 -7.611 1.00 0.00 C ATOM 218 C GLU A 14 2.268 4.651 -6.729 1.00 0.00 C ATOM 219 O GLU A 14 2.738 5.749 -6.510 1.00 0.00 O ATOM 220 CB GLU A 14 2.127 3.311 -8.822 1.00 0.00 C ATOM 221 CG GLU A 14 2.965 2.583 -9.875 1.00 0.00 C ATOM 222 CD GLU A 14 3.145 3.486 -11.097 1.00 0.00 C ATOM 223 OE1 GLU A 14 3.167 4.692 -10.919 1.00 0.00 O ATOM 224 OE2 GLU A 14 3.259 2.954 -12.188 1.00 0.00 O ATOM 0 H GLU A 14 2.691 1.587 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 14 3.945 4.057 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.284 2.689 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.712 4.227 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.937 2.316 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.476 1.653 -10.165 1.00 0.00 H new ATOM 231 N VAL A 15 1.122 4.290 -6.218 1.00 0.00 N ATOM 232 CA VAL A 15 0.374 5.234 -5.348 1.00 0.00 C ATOM 233 C VAL A 15 1.357 5.859 -4.358 1.00 0.00 C ATOM 234 O VAL A 15 1.327 7.044 -4.097 1.00 0.00 O ATOM 235 CB VAL A 15 -0.739 4.474 -4.612 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.838 3.057 -5.176 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.438 4.398 -3.110 1.00 0.00 C ATOM 0 H VAL A 15 0.675 3.385 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.088 6.024 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.681 5.004 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.627 2.513 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.070 3.104 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.112 2.542 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.238 3.856 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.507 3.878 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.369 5.406 -2.701 1.00 0.00 H new ATOM 247 N LEU A 16 2.243 5.065 -3.820 1.00 0.00 N ATOM 248 CA LEU A 16 3.245 5.606 -2.865 1.00 0.00 C ATOM 249 C LEU A 16 4.092 6.648 -3.596 1.00 0.00 C ATOM 250 O LEU A 16 4.628 7.563 -3.002 1.00 0.00 O ATOM 251 CB LEU A 16 4.136 4.463 -2.368 1.00 0.00 C ATOM 252 CG LEU A 16 5.399 5.029 -1.715 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.006 5.921 -0.536 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.270 3.873 -1.214 1.00 0.00 C ATOM 0 H LEU A 16 2.314 4.064 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 16 2.750 6.066 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.589 3.850 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.407 3.814 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 16 5.957 5.617 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.905 6.325 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.382 6.741 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.451 5.334 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.171 4.272 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.712 3.287 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.547 3.236 -2.054 1.00 0.00 H new ATOM 266 N LYS A 17 4.208 6.516 -4.890 1.00 0.00 N ATOM 267 CA LYS A 17 5.011 7.496 -5.673 1.00 0.00 C ATOM 268 C LYS A 17 4.218 8.794 -5.829 1.00 0.00 C ATOM 269 O LYS A 17 4.669 9.859 -5.457 1.00 0.00 O ATOM 270 CB LYS A 17 5.310 6.915 -7.056 1.00 0.00 C ATOM 271 CG LYS A 17 6.366 7.772 -7.755 1.00 0.00 C ATOM 272 CD LYS A 17 7.733 7.100 -7.627 1.00 0.00 C ATOM 273 CE LYS A 17 8.825 8.072 -8.080 1.00 0.00 C ATOM 274 NZ LYS A 17 8.917 9.199 -7.110 1.00 0.00 N ATOM 0 H LYS A 17 3.780 5.770 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 17 5.946 7.701 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.664 5.889 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.399 6.884 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.109 7.900 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.395 8.767 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.906 6.798 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.763 6.195 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.783 7.555 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.598 8.452 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.910 9.490 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.355 10.002 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.550 8.893 -6.186 1.00 0.00 H new ATOM 288 N HIS A 18 3.034 8.714 -6.376 1.00 0.00 N ATOM 289 CA HIS A 18 2.210 9.942 -6.553 1.00 0.00 C ATOM 290 C HIS A 18 1.765 10.453 -5.182 1.00 0.00 C ATOM 291 O HIS A 18 0.919 11.318 -5.072 1.00 0.00 O ATOM 292 CB HIS A 18 0.980 9.611 -7.399 1.00 0.00 C ATOM 293 CG HIS A 18 1.261 9.922 -8.844 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.259 11.222 -9.336 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.549 9.117 -9.918 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.538 11.158 -10.651 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.723 9.900 -11.053 1.00 0.00 N ATOM 0 H HIS A 18 2.603 7.851 -6.707 1.00 0.00 H new ATOM 0 HA HIS A 18 2.799 10.710 -7.055 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.722 8.558 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.122 10.188 -7.053 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.628 8.040 -9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.604 12.019 -11.300 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.945 9.580 -11.996 1.00 0.00 H new ATOM 306 N VAL A 19 2.333 9.922 -4.133 1.00 0.00 N ATOM 307 CA VAL A 19 1.950 10.370 -2.764 1.00 0.00 C ATOM 308 C VAL A 19 3.177 10.953 -2.062 1.00 0.00 C ATOM 309 O VAL A 19 3.075 11.567 -1.018 1.00 0.00 O ATOM 310 CB VAL A 19 1.429 9.170 -1.966 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.585 9.443 -0.471 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.049 8.934 -2.291 1.00 0.00 C ATOM 0 H VAL A 19 3.048 9.195 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 19 1.172 11.130 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 19 2.003 8.283 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.214 8.589 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.638 9.603 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.015 10.332 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.415 8.080 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.626 9.820 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.160 8.734 -3.357 1.00 0.00 H new ATOM 322 N ASN A 20 4.335 10.768 -2.627 1.00 0.00 N ATOM 323 CA ASN A 20 5.566 11.314 -1.993 1.00 0.00 C ATOM 324 C ASN A 20 5.726 12.786 -2.375 1.00 0.00 C ATOM 325 O ASN A 20 6.228 13.586 -1.611 1.00 0.00 O ATOM 326 CB ASN A 20 6.781 10.523 -2.481 1.00 0.00 C ATOM 327 CG ASN A 20 7.932 10.694 -1.488 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.745 11.584 -1.631 1.00 0.00 O ATOM 329 ND2 ASN A 20 8.034 9.871 -0.481 1.00 0.00 N ATOM 0 H ASN A 20 4.483 10.262 -3.500 1.00 0.00 H new ATOM 0 HA ASN A 20 5.488 11.228 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.526 9.468 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.083 10.872 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.798 9.975 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.350 9.124 -0.362 1.00 0.00 H new ATOM 336 N GLN A 21 5.305 13.149 -3.556 1.00 0.00 N ATOM 337 CA GLN A 21 5.436 14.568 -3.990 1.00 0.00 C ATOM 338 C GLN A 21 4.137 15.327 -3.699 1.00 0.00 C ATOM 339 O GLN A 21 4.074 16.533 -3.831 1.00 0.00 O ATOM 340 CB GLN A 21 5.726 14.616 -5.492 1.00 0.00 C ATOM 341 CG GLN A 21 7.034 13.877 -5.786 1.00 0.00 C ATOM 342 CD GLN A 21 6.954 13.230 -7.170 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.511 12.174 -7.392 1.00 0.00 O ATOM 344 NE2 GLN A 21 6.277 13.823 -8.115 1.00 0.00 N ATOM 0 H GLN A 21 4.876 12.524 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 21 6.254 15.035 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.906 14.159 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.798 15.651 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.873 14.571 -5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.213 13.116 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.809 14.710 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.215 13.400 -9.041 1.00 0.00 H new ATOM 353 N HIS A 22 3.099 14.637 -3.311 1.00 0.00 N ATOM 354 CA HIS A 22 1.813 15.336 -3.024 1.00 0.00 C ATOM 355 C HIS A 22 1.410 15.116 -1.565 1.00 0.00 C ATOM 356 O HIS A 22 0.252 15.222 -1.211 1.00 0.00 O ATOM 357 CB HIS A 22 0.717 14.786 -3.938 1.00 0.00 C ATOM 358 CG HIS A 22 1.184 14.831 -5.367 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.756 15.811 -6.253 1.00 0.00 N ATOM 360 CD2 HIS A 22 2.035 14.024 -6.081 1.00 0.00 C ATOM 361 CE1 HIS A 22 1.346 15.570 -7.438 1.00 0.00 C ATOM 362 NE2 HIS A 22 2.133 14.494 -7.385 1.00 0.00 N ATOM 0 H HIS A 22 3.085 13.625 -3.181 1.00 0.00 H new ATOM 0 HA HIS A 22 1.942 16.403 -3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.474 13.761 -3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.195 15.373 -3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.549 13.158 -5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.201 16.173 -8.322 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.690 14.099 -8.143 1.00 0.00 H new ATOM 371 N TRP A 23 2.350 14.815 -0.712 1.00 0.00 N ATOM 372 CA TRP A 23 2.008 14.593 0.720 1.00 0.00 C ATOM 373 C TRP A 23 1.690 15.934 1.382 1.00 0.00 C ATOM 374 O TRP A 23 2.223 16.962 1.014 1.00 0.00 O ATOM 375 CB TRP A 23 3.188 13.942 1.435 1.00 0.00 C ATOM 376 CG TRP A 23 2.725 13.394 2.744 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.498 14.126 3.857 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.423 12.014 3.092 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.074 13.280 4.866 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.014 11.969 4.444 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.465 10.812 2.372 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.658 10.769 5.061 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.107 9.600 2.986 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.706 9.580 4.330 1.00 0.00 C ATOM 0 H TRP A 23 3.338 14.713 -0.945 1.00 0.00 H new ATOM 0 HA TRP A 23 1.139 13.938 0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.606 13.145 0.821 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.981 14.673 1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.626 15.195 3.944 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.835 13.589 5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.775 10.818 1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.348 10.760 6.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.141 8.680 2.421 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.435 8.646 4.799 1.00 0.00 H new ATOM 395 N GLN A 24 0.824 15.929 2.355 1.00 0.00 N ATOM 396 CA GLN A 24 0.471 17.203 3.044 1.00 0.00 C ATOM 397 C GLN A 24 0.067 16.907 4.489 1.00 0.00 C ATOM 398 O GLN A 24 0.091 15.776 4.929 1.00 0.00 O ATOM 399 CB GLN A 24 -0.698 17.872 2.314 1.00 0.00 C ATOM 400 CG GLN A 24 -0.206 19.142 1.616 1.00 0.00 C ATOM 401 CD GLN A 24 -0.193 20.298 2.617 1.00 0.00 C ATOM 402 OE1 GLN A 24 0.641 20.343 3.500 1.00 0.00 O ATOM 403 NE2 GLN A 24 -1.088 21.242 2.517 1.00 0.00 N ATOM 0 H GLN A 24 0.345 15.099 2.704 1.00 0.00 H new ATOM 0 HA GLN A 24 1.333 17.870 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.125 17.185 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.490 18.117 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.794 18.984 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.855 19.382 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.788 21.205 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.088 22.017 3.180 1.00 0.00 H new ATOM 412 N GLY A 25 -0.306 17.914 5.229 1.00 0.00 N ATOM 413 CA GLY A 25 -0.712 17.688 6.645 1.00 0.00 C ATOM 414 C GLY A 25 0.479 17.159 7.447 1.00 0.00 C ATOM 415 O GLY A 25 0.345 16.266 8.260 1.00 0.00 O ATOM 0 H GLY A 25 -0.347 18.884 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.072 18.619 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.536 16.976 6.688 1.00 0.00 H new ATOM 419 N GLY A 26 1.645 17.704 7.229 1.00 0.00 N ATOM 420 CA GLY A 26 2.841 17.233 7.982 1.00 0.00 C ATOM 421 C GLY A 26 3.744 16.417 7.056 1.00 0.00 C ATOM 422 O GLY A 26 3.495 15.257 6.794 1.00 0.00 O ATOM 0 H GLY A 26 1.820 18.455 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.390 18.085 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.531 16.625 8.832 1.00 0.00 H new ATOM 426 N GLN A 27 4.790 17.015 6.559 1.00 0.00 N ATOM 427 CA GLN A 27 5.710 16.276 5.650 1.00 0.00 C ATOM 428 C GLN A 27 6.654 15.407 6.483 1.00 0.00 C ATOM 429 O GLN A 27 7.629 14.879 5.986 1.00 0.00 O ATOM 430 CB GLN A 27 6.525 17.275 4.826 1.00 0.00 C ATOM 431 CG GLN A 27 7.105 16.579 3.593 1.00 0.00 C ATOM 432 CD GLN A 27 7.440 17.623 2.527 1.00 0.00 C ATOM 433 OE1 GLN A 27 7.336 18.809 2.767 1.00 0.00 O ATOM 434 NE2 GLN A 27 7.841 17.229 1.350 1.00 0.00 N ATOM 0 H GLN A 27 5.048 17.985 6.743 1.00 0.00 H new ATOM 0 HA GLN A 27 5.130 15.643 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.893 18.109 4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.330 17.690 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.001 16.021 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.389 15.858 3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.929 16.233 1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.067 17.917 0.632 1.00 0.00 H new ATOM 443 N LYS A 28 6.370 15.251 7.747 1.00 0.00 N ATOM 444 CA LYS A 28 7.249 14.412 8.611 1.00 0.00 C ATOM 445 C LYS A 28 6.734 12.972 8.604 1.00 0.00 C ATOM 446 O LYS A 28 7.449 12.044 8.928 1.00 0.00 O ATOM 447 CB LYS A 28 7.235 14.953 10.044 1.00 0.00 C ATOM 448 CG LYS A 28 5.915 15.679 10.309 1.00 0.00 C ATOM 449 CD LYS A 28 5.911 16.226 11.738 1.00 0.00 C ATOM 450 CE LYS A 28 5.407 17.670 11.730 1.00 0.00 C ATOM 451 NZ LYS A 28 6.248 18.487 10.811 1.00 0.00 N ATOM 0 H LYS A 28 5.568 15.668 8.219 1.00 0.00 H new ATOM 0 HA LYS A 28 8.269 14.440 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.360 14.135 10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.072 15.635 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.786 16.494 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.077 14.996 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.273 15.611 12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.916 16.183 12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.365 17.701 11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.443 18.084 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.432 19.415 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.150 17.999 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.749 18.618 9.908 1.00 0.00 H new ATOM 465 N ASN A 29 5.498 12.776 8.231 1.00 0.00 N ATOM 466 CA ASN A 29 4.938 11.397 8.198 1.00 0.00 C ATOM 467 C ASN A 29 5.363 10.715 6.896 1.00 0.00 C ATOM 468 O ASN A 29 5.616 9.527 6.858 1.00 0.00 O ATOM 469 CB ASN A 29 3.409 11.462 8.262 1.00 0.00 C ATOM 470 CG ASN A 29 2.981 12.344 9.436 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.609 13.345 9.720 1.00 0.00 O ATOM 472 ND2 ASN A 29 1.929 12.015 10.135 1.00 0.00 N ATOM 0 H ASN A 29 4.852 13.513 7.948 1.00 0.00 H new ATOM 0 HA ASN A 29 5.311 10.830 9.051 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.013 11.863 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.997 10.460 8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.635 12.598 10.919 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.401 11.175 9.898 1.00 0.00 H new ATOM 479 N MET A 30 5.442 11.461 5.827 1.00 0.00 N ATOM 480 CA MET A 30 5.851 10.860 4.526 1.00 0.00 C ATOM 481 C MET A 30 7.089 9.987 4.735 1.00 0.00 C ATOM 482 O MET A 30 7.300 9.014 4.038 1.00 0.00 O ATOM 483 CB MET A 30 6.175 11.974 3.528 1.00 0.00 C ATOM 484 CG MET A 30 6.788 11.367 2.265 1.00 0.00 C ATOM 485 SD MET A 30 8.578 11.208 2.478 1.00 0.00 S ATOM 486 CE MET A 30 9.009 12.914 2.051 1.00 0.00 C ATOM 0 H MET A 30 5.241 12.461 5.799 1.00 0.00 H new ATOM 0 HA MET A 30 5.037 10.249 4.136 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.269 12.526 3.276 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.868 12.687 3.975 1.00 0.00 H new ATOM 0 HG2 MET A 30 6.347 10.390 2.067 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.568 11.997 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.094 13.021 2.031 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.602 13.157 1.070 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.591 13.592 2.795 1.00 0.00 H new ATOM 496 N ASN A 31 7.909 10.329 5.690 1.00 0.00 N ATOM 497 CA ASN A 31 9.133 9.519 5.946 1.00 0.00 C ATOM 498 C ASN A 31 8.776 8.323 6.831 1.00 0.00 C ATOM 499 O ASN A 31 9.169 7.205 6.569 1.00 0.00 O ATOM 500 CB ASN A 31 10.178 10.382 6.656 1.00 0.00 C ATOM 501 CG ASN A 31 10.069 11.827 6.164 1.00 0.00 C ATOM 502 OD1 ASN A 31 10.287 12.756 6.914 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.738 12.055 4.922 1.00 0.00 N ATOM 0 H ASN A 31 7.785 11.134 6.304 1.00 0.00 H new ATOM 0 HA ASN A 31 9.538 9.164 4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.026 10.342 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.178 9.995 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.663 13.014 4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.555 11.274 4.292 1.00 0.00 H new ATOM 510 N LYS A 32 8.032 8.552 7.879 1.00 0.00 N ATOM 511 CA LYS A 32 7.650 7.430 8.780 1.00 0.00 C ATOM 512 C LYS A 32 6.778 6.434 8.014 1.00 0.00 C ATOM 513 O LYS A 32 6.911 5.236 8.163 1.00 0.00 O ATOM 514 CB LYS A 32 6.868 7.980 9.975 1.00 0.00 C ATOM 515 CG LYS A 32 7.818 8.745 10.897 1.00 0.00 C ATOM 516 CD LYS A 32 7.059 9.205 12.143 1.00 0.00 C ATOM 517 CE LYS A 32 8.058 9.607 13.230 1.00 0.00 C ATOM 518 NZ LYS A 32 7.320 10.016 14.458 1.00 0.00 N ATOM 0 H LYS A 32 7.673 9.468 8.149 1.00 0.00 H new ATOM 0 HA LYS A 32 8.549 6.926 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.071 8.638 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.394 7.164 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.656 8.109 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.235 9.605 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.413 10.048 11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.414 8.404 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.723 8.773 13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.683 10.428 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.999 10.289 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.703 10.824 14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.742 9.221 14.797 1.00 0.00 H new ATOM 532 N VAL A 33 5.886 6.918 7.193 1.00 0.00 N ATOM 533 CA VAL A 33 5.010 5.995 6.420 1.00 0.00 C ATOM 534 C VAL A 33 5.808 5.386 5.264 1.00 0.00 C ATOM 535 O VAL A 33 5.585 4.259 4.869 1.00 0.00 O ATOM 536 CB VAL A 33 3.815 6.771 5.863 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.946 7.265 7.022 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.316 7.970 5.052 1.00 0.00 C ATOM 0 H VAL A 33 5.727 7.911 7.025 1.00 0.00 H new ATOM 0 HA VAL A 33 4.652 5.200 7.074 1.00 0.00 H new ATOM 0 HB VAL A 33 3.226 6.119 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.094 7.818 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.589 6.412 7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.535 7.917 7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.464 8.522 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.905 8.624 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.936 7.618 4.227 1.00 0.00 H new ATOM 548 N ASP A 34 6.738 6.123 4.723 1.00 0.00 N ATOM 549 CA ASP A 34 7.554 5.588 3.595 1.00 0.00 C ATOM 550 C ASP A 34 8.156 4.241 3.998 1.00 0.00 C ATOM 551 O ASP A 34 8.275 3.337 3.195 1.00 0.00 O ATOM 552 CB ASP A 34 8.677 6.576 3.270 1.00 0.00 C ATOM 553 CG ASP A 34 9.850 5.830 2.632 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.609 4.810 2.008 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.970 6.291 2.778 1.00 0.00 O ATOM 0 H ASP A 34 6.969 7.073 5.013 1.00 0.00 H new ATOM 0 HA ASP A 34 6.923 5.454 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.311 7.347 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.005 7.081 4.179 1.00 0.00 H new ATOM 560 N HIS A 35 8.536 4.100 5.238 1.00 0.00 N ATOM 561 CA HIS A 35 9.129 2.812 5.694 1.00 0.00 C ATOM 562 C HIS A 35 8.010 1.795 5.928 1.00 0.00 C ATOM 563 O HIS A 35 8.206 0.603 5.800 1.00 0.00 O ATOM 564 CB HIS A 35 9.902 3.040 6.995 1.00 0.00 C ATOM 565 CG HIS A 35 10.878 4.167 6.802 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.820 5.335 7.551 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.942 4.324 5.946 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.820 6.135 7.135 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.530 5.565 6.160 1.00 0.00 N ATOM 0 H HIS A 35 8.461 4.821 5.955 1.00 0.00 H new ATOM 0 HA HIS A 35 9.810 2.431 4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.212 3.276 7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.431 2.131 7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.270 3.596 5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.022 7.116 7.540 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.336 5.958 5.673 1.00 0.00 H new ATOM 578 N HIS A 36 6.836 2.258 6.261 1.00 0.00 N ATOM 579 CA HIS A 36 5.702 1.320 6.495 1.00 0.00 C ATOM 580 C HIS A 36 5.352 0.614 5.184 1.00 0.00 C ATOM 581 O HIS A 36 5.270 -0.596 5.121 1.00 0.00 O ATOM 582 CB HIS A 36 4.483 2.101 6.985 1.00 0.00 C ATOM 583 CG HIS A 36 4.516 2.203 8.484 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.259 3.394 9.151 1.00 0.00 N ATOM 585 CD2 HIS A 36 4.770 1.273 9.461 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.362 3.151 10.470 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.672 1.875 10.711 1.00 0.00 N ATOM 0 H HIS A 36 6.613 3.246 6.381 1.00 0.00 H new ATOM 0 HA HIS A 36 5.990 0.585 7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.476 3.097 6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.568 1.604 6.665 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.009 0.234 9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.213 3.895 11.238 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.808 1.434 11.621 1.00 0.00 H new ATOM 596 N LEU A 37 5.144 1.362 4.136 1.00 0.00 N ATOM 597 CA LEU A 37 4.798 0.733 2.832 1.00 0.00 C ATOM 598 C LEU A 37 6.004 -0.048 2.307 1.00 0.00 C ATOM 599 O LEU A 37 5.911 -1.224 2.015 1.00 0.00 O ATOM 600 CB LEU A 37 4.409 1.818 1.826 1.00 0.00 C ATOM 601 CG LEU A 37 2.889 1.969 1.806 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.525 3.400 1.417 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.293 0.998 0.785 1.00 0.00 C ATOM 0 H LEU A 37 5.199 2.380 4.127 1.00 0.00 H new ATOM 0 HA LEU A 37 3.958 0.052 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.876 2.765 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.773 1.556 0.833 1.00 0.00 H new ATOM 0 HG LEU A 37 2.489 1.747 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.441 3.508 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.949 4.094 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.925 3.621 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.208 1.106 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.693 1.220 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.553 -0.024 1.060 1.00 0.00 H new ATOM 615 N GLN A 38 7.137 0.590 2.187 1.00 0.00 N ATOM 616 CA GLN A 38 8.340 -0.132 1.686 1.00 0.00 C ATOM 617 C GLN A 38 8.332 -1.551 2.254 1.00 0.00 C ATOM 618 O GLN A 38 8.795 -2.486 1.631 1.00 0.00 O ATOM 619 CB GLN A 38 9.606 0.597 2.139 1.00 0.00 C ATOM 620 CG GLN A 38 10.063 1.561 1.042 1.00 0.00 C ATOM 621 CD GLN A 38 11.413 2.171 1.425 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.131 1.626 2.239 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.791 3.290 0.866 1.00 0.00 N ATOM 0 H GLN A 38 7.281 1.574 2.413 1.00 0.00 H new ATOM 0 HA GLN A 38 8.324 -0.168 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.412 1.145 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.395 -0.123 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.147 1.033 0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.322 2.349 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.188 3.748 0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.689 3.706 1.113 1.00 0.00 H new ATOM 632 N ASN A 39 7.799 -1.717 3.434 1.00 0.00 N ATOM 633 CA ASN A 39 7.745 -3.075 4.044 1.00 0.00 C ATOM 634 C ASN A 39 6.639 -3.880 3.362 1.00 0.00 C ATOM 635 O ASN A 39 6.784 -5.058 3.103 1.00 0.00 O ATOM 636 CB ASN A 39 7.441 -2.952 5.540 1.00 0.00 C ATOM 637 CG ASN A 39 8.719 -2.576 6.292 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.748 -2.346 5.689 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.697 -2.501 7.595 1.00 0.00 N ATOM 0 H ASN A 39 7.399 -0.970 4.002 1.00 0.00 H new ATOM 0 HA ASN A 39 8.703 -3.578 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.674 -2.196 5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.047 -3.894 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.543 -2.249 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.833 -2.694 8.102 1.00 0.00 H new ATOM 646 N VAL A 40 5.535 -3.249 3.062 1.00 0.00 N ATOM 647 CA VAL A 40 4.424 -3.976 2.388 1.00 0.00 C ATOM 648 C VAL A 40 4.800 -4.221 0.927 1.00 0.00 C ATOM 649 O VAL A 40 4.704 -5.326 0.430 1.00 0.00 O ATOM 650 CB VAL A 40 3.142 -3.142 2.455 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.980 -3.949 1.866 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.836 -2.793 3.914 1.00 0.00 C ATOM 0 H VAL A 40 5.356 -2.263 3.255 1.00 0.00 H new ATOM 0 HA VAL A 40 4.255 -4.929 2.890 1.00 0.00 H new ATOM 0 HB VAL A 40 3.273 -2.223 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.066 -3.357 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.199 -4.197 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.848 -4.867 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.923 -2.199 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.703 -3.710 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.664 -2.221 4.333 1.00 0.00 H new ATOM 662 N ILE A 41 5.236 -3.202 0.233 1.00 0.00 N ATOM 663 CA ILE A 41 5.623 -3.399 -1.191 1.00 0.00 C ATOM 664 C ILE A 41 6.411 -4.704 -1.309 1.00 0.00 C ATOM 665 O ILE A 41 6.280 -5.441 -2.265 1.00 0.00 O ATOM 666 CB ILE A 41 6.503 -2.241 -1.660 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.619 -1.067 -2.084 1.00 0.00 C ATOM 668 CG2 ILE A 41 7.334 -2.703 -2.856 1.00 0.00 C ATOM 669 CD1 ILE A 41 4.792 -0.592 -0.889 1.00 0.00 C ATOM 0 H ILE A 41 5.339 -2.251 0.588 1.00 0.00 H new ATOM 0 HA ILE A 41 4.726 -3.439 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 41 7.160 -1.926 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.236 -0.251 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.960 -1.370 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.966 -1.883 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.960 -3.545 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.670 -3.011 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.162 0.245 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.164 -1.409 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.459 -0.273 -0.089 1.00 0.00 H new ATOM 681 N GLU A 42 7.235 -4.990 -0.334 1.00 0.00 N ATOM 682 CA GLU A 42 8.039 -6.243 -0.374 1.00 0.00 C ATOM 683 C GLU A 42 7.154 -7.430 0.008 1.00 0.00 C ATOM 684 O GLU A 42 7.319 -8.525 -0.491 1.00 0.00 O ATOM 685 CB GLU A 42 9.196 -6.135 0.622 1.00 0.00 C ATOM 686 CG GLU A 42 10.337 -7.056 0.187 1.00 0.00 C ATOM 687 CD GLU A 42 11.494 -6.214 -0.353 1.00 0.00 C ATOM 688 OE1 GLU A 42 12.020 -5.413 0.401 1.00 0.00 O ATOM 689 OE2 GLU A 42 11.833 -6.384 -1.512 1.00 0.00 O ATOM 0 H GLU A 42 7.384 -4.407 0.489 1.00 0.00 H new ATOM 0 HA GLU A 42 8.432 -6.390 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.548 -5.105 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.856 -6.408 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.674 -7.658 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.988 -7.748 -0.579 1.00 0.00 H new ATOM 696 N ASP A 43 6.216 -7.223 0.891 1.00 0.00 N ATOM 697 CA ASP A 43 5.324 -8.344 1.301 1.00 0.00 C ATOM 698 C ASP A 43 4.661 -8.939 0.060 1.00 0.00 C ATOM 699 O ASP A 43 4.599 -10.141 -0.107 1.00 0.00 O ATOM 700 CB ASP A 43 4.248 -7.823 2.253 1.00 0.00 C ATOM 701 CG ASP A 43 3.548 -9.007 2.921 1.00 0.00 C ATOM 702 OD1 ASP A 43 2.796 -9.686 2.241 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.777 -9.216 4.100 1.00 0.00 O ATOM 0 H ASP A 43 6.029 -6.329 1.345 1.00 0.00 H new ATOM 0 HA ASP A 43 5.911 -9.110 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.696 -7.177 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.524 -7.219 1.706 1.00 0.00 H new ATOM 708 N ILE A 44 4.169 -8.108 -0.814 1.00 0.00 N ATOM 709 CA ILE A 44 3.517 -8.626 -2.047 1.00 0.00 C ATOM 710 C ILE A 44 4.559 -9.364 -2.887 1.00 0.00 C ATOM 711 O ILE A 44 4.330 -10.460 -3.360 1.00 0.00 O ATOM 712 CB ILE A 44 2.947 -7.456 -2.848 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.222 -6.497 -1.903 1.00 0.00 C ATOM 714 CG2 ILE A 44 1.967 -7.973 -3.904 1.00 0.00 C ATOM 715 CD1 ILE A 44 3.043 -5.216 -1.770 1.00 0.00 C ATOM 0 H ILE A 44 4.190 -7.092 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 44 2.709 -9.308 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 44 3.763 -6.932 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.228 -6.269 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.087 -6.961 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.566 -7.133 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.486 -8.652 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.151 -8.503 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.534 -4.526 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.027 -5.455 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.155 -4.752 -2.750 1.00 0.00 H new ATOM 727 N HIS A 45 5.709 -8.774 -3.070 1.00 0.00 N ATOM 728 CA HIS A 45 6.771 -9.444 -3.871 1.00 0.00 C ATOM 729 C HIS A 45 7.076 -10.804 -3.244 1.00 0.00 C ATOM 730 O HIS A 45 7.493 -11.731 -3.910 1.00 0.00 O ATOM 731 CB HIS A 45 8.038 -8.586 -3.868 1.00 0.00 C ATOM 732 CG HIS A 45 8.874 -8.918 -5.074 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.725 -10.014 -5.106 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.001 -8.309 -6.298 1.00 0.00 C ATOM 735 CE1 HIS A 45 10.320 -10.030 -6.313 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.914 -9.013 -7.075 1.00 0.00 N ATOM 0 H HIS A 45 5.958 -7.857 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 45 6.431 -9.575 -4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.774 -7.529 -3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.609 -8.765 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 45 8.473 -7.420 -6.609 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.037 -10.774 -6.626 1.00 0.00 H new ATOM 0 HE2 HIS A 45 10.211 -8.797 -8.027 1.00 0.00 H new ATOM 745 N ASP A 46 6.867 -10.930 -1.962 1.00 0.00 N ATOM 746 CA ASP A 46 7.141 -12.227 -1.287 1.00 0.00 C ATOM 747 C ASP A 46 5.918 -13.135 -1.424 1.00 0.00 C ATOM 748 O ASP A 46 5.944 -14.289 -1.044 1.00 0.00 O ATOM 749 CB ASP A 46 7.436 -11.979 0.194 1.00 0.00 C ATOM 750 CG ASP A 46 8.854 -11.427 0.341 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.779 -12.222 0.356 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.991 -10.218 0.433 1.00 0.00 O ATOM 0 H ASP A 46 6.518 -10.189 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 46 8.003 -12.707 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.714 -11.274 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.334 -12.907 0.757 1.00 0.00 H new ATOM 757 N PHE A 47 4.848 -12.626 -1.972 1.00 0.00 N ATOM 758 CA PHE A 47 3.630 -13.464 -2.141 1.00 0.00 C ATOM 759 C PHE A 47 3.784 -14.305 -3.409 1.00 0.00 C ATOM 760 O PHE A 47 3.203 -15.364 -3.540 1.00 0.00 O ATOM 761 CB PHE A 47 2.400 -12.562 -2.263 1.00 0.00 C ATOM 762 CG PHE A 47 1.148 -13.385 -2.072 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.693 -13.672 -0.781 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.443 -13.860 -3.187 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.467 -14.435 -0.601 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.717 -14.624 -3.005 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.172 -14.912 -1.713 1.00 0.00 C ATOM 0 H PHE A 47 4.766 -11.667 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 47 3.505 -14.118 -1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.443 -11.768 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.385 -12.080 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.236 -13.305 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.793 -13.637 -4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.818 -14.656 0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.261 -14.991 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.066 -15.502 -1.574 1.00 0.00 H new ATOM 777 N MET A 48 4.575 -13.843 -4.341 1.00 0.00 N ATOM 778 CA MET A 48 4.781 -14.620 -5.594 1.00 0.00 C ATOM 779 C MET A 48 5.771 -15.753 -5.317 1.00 0.00 C ATOM 780 O MET A 48 5.676 -16.826 -5.878 1.00 0.00 O ATOM 781 CB MET A 48 5.347 -13.705 -6.685 1.00 0.00 C ATOM 782 CG MET A 48 5.240 -12.244 -6.239 1.00 0.00 C ATOM 783 SD MET A 48 5.500 -11.161 -7.668 1.00 0.00 S ATOM 784 CE MET A 48 7.290 -11.393 -7.804 1.00 0.00 C ATOM 0 H MET A 48 5.086 -12.962 -4.287 1.00 0.00 H new ATOM 0 HA MET A 48 3.829 -15.030 -5.931 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.388 -13.960 -6.883 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.800 -13.852 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.260 -12.057 -5.800 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.981 -12.032 -5.468 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.707 -10.630 -8.462 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.744 -11.308 -6.817 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.499 -12.380 -8.216 1.00 0.00 H new ATOM 794 N GLN A 49 6.718 -15.521 -4.448 1.00 0.00 N ATOM 795 CA GLN A 49 7.709 -16.584 -4.125 1.00 0.00 C ATOM 796 C GLN A 49 6.972 -17.808 -3.581 1.00 0.00 C ATOM 797 O GLN A 49 6.974 -18.866 -4.180 1.00 0.00 O ATOM 798 CB GLN A 49 8.687 -16.069 -3.066 1.00 0.00 C ATOM 799 CG GLN A 49 9.205 -14.687 -3.473 1.00 0.00 C ATOM 800 CD GLN A 49 9.974 -14.067 -2.303 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.937 -13.354 -2.506 1.00 0.00 O ATOM 802 NE2 GLN A 49 9.587 -14.310 -1.081 1.00 0.00 N ATOM 0 H GLN A 49 6.847 -14.641 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 49 8.260 -16.855 -5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.192 -16.012 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.520 -16.763 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.854 -14.772 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.372 -14.044 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.779 -14.909 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.093 -13.901 -0.295 1.00 0.00 H new ATOM 811 N GLY A 50 6.338 -17.673 -2.449 1.00 0.00 N ATOM 812 CA GLY A 50 5.598 -18.826 -1.864 1.00 0.00 C ATOM 813 C GLY A 50 4.405 -19.172 -2.758 1.00 0.00 C ATOM 814 O GLY A 50 3.632 -20.060 -2.462 1.00 0.00 O ATOM 0 H GLY A 50 6.301 -16.812 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.259 -19.688 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.254 -18.579 -0.859 1.00 0.00 H new ATOM 818 N GLY A 51 4.253 -18.476 -3.851 1.00 0.00 N ATOM 819 CA GLY A 51 3.112 -18.764 -4.766 1.00 0.00 C ATOM 820 C GLY A 51 1.845 -19.013 -3.948 1.00 0.00 C ATOM 821 O GLY A 51 0.875 -19.556 -4.440 1.00 0.00 O ATOM 0 H GLY A 51 4.869 -17.720 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.958 -17.926 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.337 -19.636 -5.380 1.00 0.00 H new ATOM 825 N GLY A 52 1.841 -18.623 -2.704 1.00 0.00 N ATOM 826 CA GLY A 52 0.634 -18.842 -1.860 1.00 0.00 C ATOM 827 C GLY A 52 1.026 -18.785 -0.384 1.00 0.00 C ATOM 828 O GLY A 52 1.121 -19.796 0.282 1.00 0.00 O ATOM 0 H GLY A 52 2.621 -18.162 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.117 -18.083 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.186 -19.809 -2.091 1.00 0.00 H new ATOM 832 N SER A 53 1.257 -17.610 0.132 1.00 0.00 N ATOM 833 CA SER A 53 1.647 -17.489 1.565 1.00 0.00 C ATOM 834 C SER A 53 0.590 -16.673 2.315 1.00 0.00 C ATOM 835 O SER A 53 0.898 -15.707 2.983 1.00 0.00 O ATOM 836 CB SER A 53 3.001 -16.787 1.670 1.00 0.00 C ATOM 837 OG SER A 53 3.728 -16.987 0.465 1.00 0.00 O ATOM 0 H SER A 53 1.193 -16.728 -0.376 1.00 0.00 H new ATOM 0 HA SER A 53 1.719 -18.483 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.858 -15.721 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.563 -17.181 2.517 1.00 0.00 H new ATOM 0 HG SER A 53 4.193 -16.159 0.222 1.00 0.00 H new ATOM 843 N GLY A 54 -0.653 -17.057 2.211 1.00 0.00 N ATOM 844 CA GLY A 54 -1.724 -16.303 2.921 1.00 0.00 C ATOM 845 C GLY A 54 -1.268 -15.997 4.349 1.00 0.00 C ATOM 846 O GLY A 54 -1.875 -15.210 5.049 1.00 0.00 O ATOM 0 H GLY A 54 -0.972 -17.858 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.944 -15.376 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.645 -16.886 2.938 1.00 0.00 H new ATOM 850 N GLY A 55 -0.201 -16.608 4.786 1.00 0.00 N ATOM 851 CA GLY A 55 0.294 -16.346 6.166 1.00 0.00 C ATOM 852 C GLY A 55 1.212 -15.125 6.141 1.00 0.00 C ATOM 853 O GLY A 55 1.314 -14.390 7.104 1.00 0.00 O ATOM 0 H GLY A 55 0.349 -17.277 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.545 -16.173 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.833 -17.215 6.544 1.00 0.00 H new ATOM 857 N LYS A 56 1.879 -14.900 5.042 1.00 0.00 N ATOM 858 CA LYS A 56 2.786 -13.723 4.951 1.00 0.00 C ATOM 859 C LYS A 56 1.973 -12.488 4.563 1.00 0.00 C ATOM 860 O LYS A 56 2.263 -11.386 4.986 1.00 0.00 O ATOM 861 CB LYS A 56 3.863 -13.983 3.896 1.00 0.00 C ATOM 862 CG LYS A 56 5.193 -13.394 4.372 1.00 0.00 C ATOM 863 CD LYS A 56 6.257 -13.595 3.291 1.00 0.00 C ATOM 864 CE LYS A 56 6.678 -15.066 3.252 1.00 0.00 C ATOM 865 NZ LYS A 56 5.778 -15.814 2.331 1.00 0.00 N ATOM 0 H LYS A 56 1.835 -15.480 4.204 1.00 0.00 H new ATOM 0 HA LYS A 56 3.264 -13.556 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.968 -15.054 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.573 -13.534 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.076 -12.332 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.505 -13.876 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.865 -13.293 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.122 -12.964 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.712 -15.151 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.631 -15.496 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.318 -16.589 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.053 -15.170 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.334 -16.206 1.544 1.00 0.00 H new ATOM 879 N LEU A 57 0.952 -12.659 3.768 1.00 0.00 N ATOM 880 CA LEU A 57 0.126 -11.489 3.367 1.00 0.00 C ATOM 881 C LEU A 57 -0.580 -10.930 4.600 1.00 0.00 C ATOM 882 O LEU A 57 -0.379 -9.794 4.981 1.00 0.00 O ATOM 883 CB LEU A 57 -0.921 -11.917 2.337 1.00 0.00 C ATOM 884 CG LEU A 57 -1.453 -10.674 1.623 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.461 -11.086 0.552 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.137 -9.758 2.641 1.00 0.00 C ATOM 0 H LEU A 57 0.656 -13.555 3.381 1.00 0.00 H new ATOM 0 HA LEU A 57 0.770 -10.727 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.481 -12.606 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.737 -12.448 2.828 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.624 -10.145 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.838 -10.197 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.975 -11.738 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.291 -11.617 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.517 -8.871 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.964 -10.290 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.417 -9.460 3.403 1.00 0.00 H new ATOM 898 N GLN A 58 -1.401 -11.717 5.234 1.00 0.00 N ATOM 899 CA GLN A 58 -2.106 -11.222 6.446 1.00 0.00 C ATOM 900 C GLN A 58 -1.094 -10.520 7.349 1.00 0.00 C ATOM 901 O GLN A 58 -1.449 -9.872 8.314 1.00 0.00 O ATOM 902 CB GLN A 58 -2.751 -12.397 7.183 1.00 0.00 C ATOM 903 CG GLN A 58 -4.100 -12.721 6.536 1.00 0.00 C ATOM 904 CD GLN A 58 -4.017 -12.474 5.027 1.00 0.00 C ATOM 905 OE1 GLN A 58 -3.383 -13.223 4.311 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.635 -11.446 4.510 1.00 0.00 N ATOM 0 H GLN A 58 -1.614 -12.678 4.967 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.890 -10.519 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.097 -13.268 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.890 -12.149 8.235 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.368 -13.759 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.883 -12.102 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.168 -10.816 5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.585 -11.273 3.506 1.00 0.00 H new ATOM 915 N GLU A 59 0.170 -10.627 7.031 1.00 0.00 N ATOM 916 CA GLU A 59 1.202 -9.947 7.858 1.00 0.00 C ATOM 917 C GLU A 59 1.188 -8.458 7.513 1.00 0.00 C ATOM 918 O GLU A 59 0.921 -7.621 8.351 1.00 0.00 O ATOM 919 CB GLU A 59 2.583 -10.533 7.558 1.00 0.00 C ATOM 920 CG GLU A 59 3.456 -10.443 8.813 1.00 0.00 C ATOM 921 CD GLU A 59 4.917 -10.249 8.407 1.00 0.00 C ATOM 922 OE1 GLU A 59 5.231 -9.191 7.885 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.699 -11.160 8.624 1.00 0.00 O ATOM 0 H GLU A 59 0.528 -11.155 6.236 1.00 0.00 H new ATOM 0 HA GLU A 59 0.986 -10.092 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.489 -11.572 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.050 -9.990 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.128 -9.612 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.350 -11.350 9.408 1.00 0.00 H new ATOM 930 N MET A 60 1.450 -8.119 6.277 1.00 0.00 N ATOM 931 CA MET A 60 1.424 -6.683 5.887 1.00 0.00 C ATOM 932 C MET A 60 -0.013 -6.180 6.004 1.00 0.00 C ATOM 933 O MET A 60 -0.265 -4.995 6.108 1.00 0.00 O ATOM 934 CB MET A 60 1.907 -6.529 4.441 1.00 0.00 C ATOM 935 CG MET A 60 1.022 -7.362 3.513 1.00 0.00 C ATOM 936 SD MET A 60 -0.584 -6.549 3.323 1.00 0.00 S ATOM 937 CE MET A 60 -0.855 -6.994 1.592 1.00 0.00 C ATOM 0 H MET A 60 1.679 -8.772 5.527 1.00 0.00 H new ATOM 0 HA MET A 60 2.080 -6.106 6.539 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.875 -5.480 4.146 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.945 -6.852 4.357 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.501 -7.476 2.541 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.889 -8.364 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.925 -7.051 1.394 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.406 -6.238 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.397 -7.962 1.389 1.00 0.00 H new ATOM 947 N MET A 61 -0.959 -7.080 5.992 1.00 0.00 N ATOM 948 CA MET A 61 -2.386 -6.673 6.107 1.00 0.00 C ATOM 949 C MET A 61 -2.526 -5.665 7.248 1.00 0.00 C ATOM 950 O MET A 61 -3.207 -4.667 7.128 1.00 0.00 O ATOM 951 CB MET A 61 -3.238 -7.914 6.395 1.00 0.00 C ATOM 952 CG MET A 61 -4.611 -7.496 6.928 1.00 0.00 C ATOM 953 SD MET A 61 -5.622 -8.971 7.204 1.00 0.00 S ATOM 954 CE MET A 61 -7.137 -8.120 7.710 1.00 0.00 C ATOM 0 H MET A 61 -0.802 -8.084 5.907 1.00 0.00 H new ATOM 0 HA MET A 61 -2.723 -6.213 5.178 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.356 -8.503 5.485 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.734 -8.550 7.123 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.498 -6.939 7.858 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.103 -6.832 6.217 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.910 -8.855 7.933 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.938 -7.521 8.599 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.476 -7.470 6.903 1.00 0.00 H new ATOM 964 N LYS A 62 -1.878 -5.914 8.356 1.00 0.00 N ATOM 965 CA LYS A 62 -1.968 -4.961 9.497 1.00 0.00 C ATOM 966 C LYS A 62 -1.207 -3.685 9.138 1.00 0.00 C ATOM 967 O LYS A 62 -1.650 -2.588 9.415 1.00 0.00 O ATOM 968 CB LYS A 62 -1.354 -5.592 10.748 1.00 0.00 C ATOM 969 CG LYS A 62 -2.319 -6.631 11.321 1.00 0.00 C ATOM 970 CD LYS A 62 -2.029 -6.835 12.808 1.00 0.00 C ATOM 971 CE LYS A 62 -3.212 -7.546 13.469 1.00 0.00 C ATOM 972 NZ LYS A 62 -3.132 -9.008 13.188 1.00 0.00 N ATOM 0 H LYS A 62 -1.293 -6.734 8.518 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.013 -4.724 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.402 -6.061 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.147 -4.823 11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.349 -6.301 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.212 -7.575 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.121 -7.424 12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.854 -5.873 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.201 -7.370 14.545 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.151 -7.143 13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.936 -9.492 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.162 -9.166 12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.242 -9.387 13.570 1.00 0.00 H new ATOM 986 N GLU A 63 -0.070 -3.819 8.512 1.00 0.00 N ATOM 987 CA GLU A 63 0.710 -2.612 8.124 1.00 0.00 C ATOM 988 C GLU A 63 -0.059 -1.857 7.041 1.00 0.00 C ATOM 989 O GLU A 63 -0.380 -0.696 7.189 1.00 0.00 O ATOM 990 CB GLU A 63 2.080 -3.035 7.585 1.00 0.00 C ATOM 991 CG GLU A 63 3.182 -2.467 8.483 1.00 0.00 C ATOM 992 CD GLU A 63 4.525 -2.547 7.756 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.514 -2.701 6.546 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.543 -2.452 8.422 1.00 0.00 O ATOM 0 H GLU A 63 0.351 -4.711 8.253 1.00 0.00 H new ATOM 0 HA GLU A 63 0.854 -1.969 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.149 -4.122 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.207 -2.675 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.958 -1.432 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.228 -3.026 9.417 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.365 -2.508 5.952 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.123 -1.820 4.872 1.00 0.00 C ATOM 1003 C PHE A 64 -2.180 -0.907 5.509 1.00 0.00 C ATOM 1004 O PHE A 64 -2.274 0.264 5.198 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.820 -2.860 3.992 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.629 -2.507 2.535 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.705 -1.172 2.123 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.378 -3.515 1.597 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.528 -0.844 0.773 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.201 -3.188 0.248 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.276 -1.852 -0.164 1.00 0.00 C ATOM 0 H PHE A 64 -0.124 -3.481 5.765 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.439 -1.230 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.413 -3.851 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.883 -2.898 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.900 -0.394 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.321 -4.546 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.586 0.187 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.007 -3.966 -0.475 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.139 -1.600 -1.205 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.982 -1.446 6.394 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.049 -0.633 7.053 1.00 0.00 C ATOM 1023 C GLN A 65 -3.442 0.410 7.994 1.00 0.00 C ATOM 1024 O GLN A 65 -4.105 1.345 8.397 1.00 0.00 O ATOM 1025 CB GLN A 65 -4.960 -1.554 7.867 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.352 -0.927 7.976 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.182 -1.331 6.758 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.067 -2.157 6.858 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -6.930 -0.781 5.604 1.00 0.00 N ATOM 0 H GLN A 65 -2.942 -2.421 6.690 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.616 -0.122 6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.026 -2.532 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.541 -1.712 8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.842 -1.258 8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.272 0.159 8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.187 -0.087 5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.476 -1.044 4.784 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.198 0.273 8.357 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.594 1.278 9.274 1.00 0.00 C ATOM 1040 C GLN A 66 -1.305 2.540 8.473 1.00 0.00 C ATOM 1041 O GLN A 66 -1.283 3.637 8.994 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.302 0.729 9.885 1.00 0.00 C ATOM 1043 CG GLN A 66 0.895 1.099 9.008 1.00 0.00 C ATOM 1044 CD GLN A 66 1.388 2.496 9.388 1.00 0.00 C ATOM 1045 OE1 GLN A 66 1.772 3.270 8.534 1.00 0.00 O ATOM 1046 NE2 GLN A 66 1.393 2.853 10.643 1.00 0.00 N ATOM 0 H GLN A 66 -1.579 -0.482 8.062 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.282 1.503 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.166 1.132 10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.369 -0.354 9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.695 0.370 9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.611 1.075 7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.070 2.203 11.360 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.719 3.782 10.908 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.103 2.387 7.197 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.838 3.563 6.335 1.00 0.00 C ATOM 1057 C VAL A 67 -2.177 4.106 5.845 1.00 0.00 C ATOM 1058 O VAL A 67 -2.438 5.292 5.873 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.002 3.131 5.133 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.937 4.263 4.718 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.824 1.903 5.503 1.00 0.00 C ATOM 0 H VAL A 67 -1.111 1.489 6.712 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.298 4.327 6.894 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.667 2.892 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.530 3.947 3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.351 5.142 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.600 4.508 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.421 1.594 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.484 2.146 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.158 1.090 5.793 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.029 3.228 5.394 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.363 3.650 4.893 1.00 0.00 C ATOM 1073 C LEU A 68 -4.984 4.654 5.868 1.00 0.00 C ATOM 1074 O LEU A 68 -5.581 5.634 5.469 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.258 2.409 4.775 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.653 2.793 4.264 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.485 3.390 5.404 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.530 3.817 3.133 1.00 0.00 C ATOM 0 H LEU A 68 -2.854 2.224 5.352 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.264 4.125 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.802 1.689 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.342 1.922 5.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.148 1.897 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.473 3.659 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.586 2.656 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.988 4.280 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.524 4.085 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.025 4.709 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.953 3.387 2.314 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.849 4.418 7.145 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.435 5.354 8.147 1.00 0.00 C ATOM 1092 C ASP A 69 -4.505 6.555 8.350 1.00 0.00 C ATOM 1093 O ASP A 69 -4.928 7.611 8.777 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.620 4.622 9.480 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.104 4.598 9.849 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.606 5.628 10.269 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.714 3.552 9.705 1.00 0.00 O ATOM 0 H ASP A 69 -4.357 3.616 7.538 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.400 5.707 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.237 3.604 9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.048 5.120 10.263 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.243 6.404 8.055 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.297 7.541 8.240 1.00 0.00 C ATOM 1104 C GLU A 70 -2.511 8.572 7.130 1.00 0.00 C ATOM 1105 O GLU A 70 -2.866 9.705 7.385 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.858 7.023 8.187 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.583 6.152 9.416 1.00 0.00 C ATOM 1108 CD GLU A 70 0.022 7.012 10.528 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.001 7.689 10.260 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.502 6.976 11.628 1.00 0.00 O ATOM 0 H GLU A 70 -2.827 5.545 7.695 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.478 8.009 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.702 6.445 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.160 7.860 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.508 5.690 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.099 5.343 9.156 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.298 8.190 5.900 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.491 9.156 4.781 1.00 0.00 C ATOM 1119 C ILE A 71 -3.933 9.668 4.794 1.00 0.00 C ATOM 1120 O ILE A 71 -4.179 10.857 4.752 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.207 8.466 3.445 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.451 7.154 3.686 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.360 9.389 2.565 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.742 6.730 2.398 1.00 0.00 C ATOM 0 H ILE A 71 -2.000 7.255 5.622 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.804 9.993 4.906 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.151 8.249 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.724 7.283 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.144 6.376 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.157 8.899 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.901 10.318 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.418 9.608 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.204 5.797 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.479 6.585 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.037 7.506 2.098 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.890 8.783 4.852 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.314 9.223 4.867 1.00 0.00 C ATOM 1138 C LYS A 72 -6.450 10.477 5.732 1.00 0.00 C ATOM 1139 O LYS A 72 -7.334 11.286 5.533 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.189 8.109 5.446 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.600 8.644 5.693 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.617 7.528 5.445 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.975 7.936 6.020 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.906 6.774 5.963 1.00 0.00 N ATOM 0 H LYS A 72 -4.747 7.774 4.890 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.635 9.445 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.224 7.265 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.759 7.742 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.688 9.011 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.802 9.488 5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.706 7.334 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.277 6.602 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.860 8.273 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.385 8.773 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.830 7.050 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.024 6.472 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.515 5.988 6.521 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.582 10.644 6.691 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.664 11.846 7.567 1.00 0.00 C ATOM 1160 C GLN A 73 -5.038 13.042 6.850 1.00 0.00 C ATOM 1161 O GLN A 73 -5.586 14.125 6.832 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.904 11.581 8.868 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.682 10.573 9.716 1.00 0.00 C ATOM 1164 CD GLN A 73 -4.923 10.309 11.018 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -5.502 10.327 12.086 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -3.642 10.061 10.973 1.00 0.00 N ATOM 0 H GLN A 73 -4.820 10.001 6.906 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.709 12.061 7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.908 11.196 8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.771 12.511 9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.678 10.958 9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.814 9.642 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.157 10.046 10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.127 9.882 11.835 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.890 12.853 6.260 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.227 13.978 5.546 1.00 0.00 C ATOM 1177 C GLN A 74 -4.229 14.643 4.599 1.00 0.00 C ATOM 1178 O GLN A 74 -4.259 15.850 4.464 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.039 13.442 4.745 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.108 12.665 5.680 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.323 13.645 6.554 1.00 0.00 C ATOM 1182 OE1 GLN A 74 -0.723 14.779 6.728 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.786 13.252 7.119 1.00 0.00 N ATOM 0 H GLN A 74 -3.383 11.968 6.242 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.873 14.712 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.390 12.794 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.499 14.266 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.688 11.988 6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.421 12.051 5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.123 12.300 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.316 13.897 7.706 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.052 13.868 3.945 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.050 14.464 3.014 1.00 0.00 C ATOM 1194 C LEU A 75 -6.562 15.780 3.601 1.00 0.00 C ATOM 1195 O LEU A 75 -6.848 16.722 2.888 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.225 13.496 2.832 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.070 12.725 1.519 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -7.018 13.706 0.345 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.777 11.908 1.558 1.00 0.00 C ATOM 0 H LEU A 75 -5.076 12.851 4.016 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.582 14.650 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.266 12.800 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.165 14.048 2.830 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.921 12.057 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.908 13.152 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.940 14.287 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.169 14.379 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.666 11.358 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.927 12.578 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.816 11.205 2.390 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.676 15.853 4.899 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.166 17.105 5.538 1.00 0.00 C ATOM 1213 C GLN A 76 -6.125 18.213 5.353 1.00 0.00 C ATOM 1214 O GLN A 76 -5.447 18.602 6.283 1.00 0.00 O ATOM 1215 CB GLN A 76 -7.389 16.858 7.032 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.931 18.128 7.690 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.814 18.005 9.210 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -8.476 17.186 9.817 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -6.994 18.788 9.855 1.00 0.00 N ATOM 0 H GLN A 76 -6.450 15.097 5.545 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.105 17.408 5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.091 16.036 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.452 16.563 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.374 18.997 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.972 18.282 7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.438 19.475 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.908 18.713 10.869 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.994 18.725 4.159 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.997 19.807 3.916 1.00 0.00 C ATOM 1230 C GLY A 77 -4.872 20.055 2.411 1.00 0.00 C ATOM 1231 O GLY A 77 -5.846 20.035 1.685 1.00 0.00 O ATOM 0 H GLY A 77 -6.534 18.441 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.306 20.722 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.029 19.525 4.331 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.679 20.291 1.935 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.496 20.541 0.477 1.00 0.00 C ATOM 1237 C GLY A 78 -3.152 19.227 -0.229 1.00 0.00 C ATOM 1238 O GLY A 78 -2.468 19.211 -1.234 1.00 0.00 O ATOM 0 H GLY A 78 -2.825 20.321 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.406 20.966 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.701 21.269 0.319 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.620 18.125 0.287 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.319 16.814 -0.352 1.00 0.00 C ATOM 1244 C ASP A 79 -4.473 16.417 -1.277 1.00 0.00 C ATOM 1245 O ASP A 79 -4.724 15.249 -1.503 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.139 15.749 0.733 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.479 16.352 2.096 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.561 16.899 2.227 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.650 16.258 2.986 1.00 0.00 O ATOM 0 H ASP A 79 -4.199 18.076 1.125 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.402 16.896 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.784 14.894 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.113 15.382 0.731 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.175 17.377 -1.818 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.306 17.043 -2.729 1.00 0.00 C ATOM 1256 C ASN A 80 -5.811 16.084 -3.809 1.00 0.00 C ATOM 1257 O ASN A 80 -6.581 15.559 -4.589 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.836 18.322 -3.381 1.00 0.00 C ATOM 1259 CG ASN A 80 -7.206 19.332 -2.295 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -6.375 20.104 -1.858 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -8.427 19.360 -1.836 1.00 0.00 N ATOM 0 H ASN A 80 -5.015 18.373 -1.669 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.108 16.573 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.081 18.745 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.708 18.096 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.684 20.030 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.125 18.712 -2.202 1.00 0.00 H new ATOM 1268 N SER A 81 -4.531 15.831 -3.844 1.00 0.00 N ATOM 1269 CA SER A 81 -3.990 14.885 -4.851 1.00 0.00 C ATOM 1270 C SER A 81 -4.151 13.481 -4.288 1.00 0.00 C ATOM 1271 O SER A 81 -4.706 12.604 -4.919 1.00 0.00 O ATOM 1272 CB SER A 81 -2.510 15.178 -5.096 1.00 0.00 C ATOM 1273 OG SER A 81 -2.282 15.307 -6.494 1.00 0.00 O ATOM 0 H SER A 81 -3.839 16.241 -3.217 1.00 0.00 H new ATOM 0 HA SER A 81 -4.521 14.985 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.219 16.094 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.896 14.375 -4.688 1.00 0.00 H new ATOM 0 HG SER A 81 -1.441 14.863 -6.731 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.692 13.273 -3.085 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.840 11.937 -2.460 1.00 0.00 C ATOM 1281 C LEU A 82 -5.296 11.511 -2.595 1.00 0.00 C ATOM 1282 O LEU A 82 -5.602 10.359 -2.832 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.461 12.020 -0.986 1.00 0.00 C ATOM 1284 CG LEU A 82 -1.944 11.924 -0.864 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.300 13.072 -1.637 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.540 12.013 0.605 1.00 0.00 C ATOM 0 H LEU A 82 -3.222 13.973 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.189 11.213 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.816 12.957 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.937 11.214 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.608 10.972 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.215 13.005 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.585 13.009 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.639 14.023 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.455 11.944 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.876 12.964 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.999 11.194 1.159 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.196 12.445 -2.462 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.637 12.111 -2.599 1.00 0.00 C ATOM 1300 C HIS A 83 -7.805 11.211 -3.819 1.00 0.00 C ATOM 1301 O HIS A 83 -8.696 10.388 -3.884 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.442 13.396 -2.794 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.669 13.356 -1.926 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.246 14.507 -1.408 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.440 12.313 -1.474 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.316 14.132 -0.680 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.475 12.808 -0.690 1.00 0.00 N ATOM 0 H HIS A 83 -5.994 13.425 -2.264 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.994 11.602 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.831 14.262 -2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.727 13.504 -3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.268 11.270 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.964 14.818 -0.154 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.204 12.271 -0.220 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.941 11.364 -4.786 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.028 10.519 -6.008 1.00 0.00 C ATOM 1318 C ASN A 84 -6.045 9.355 -5.882 1.00 0.00 C ATOM 1319 O ASN A 84 -6.297 8.265 -6.356 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.671 11.358 -7.238 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.813 12.330 -7.546 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.971 11.985 -7.418 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.532 13.539 -7.951 1.00 0.00 N ATOM 0 H ASN A 84 -6.177 12.040 -4.781 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.042 10.135 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.748 11.910 -7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.492 10.708 -8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.285 14.195 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.560 13.828 -8.058 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.929 9.575 -5.241 1.00 0.00 N ATOM 1331 CA VAL A 85 -3.937 8.480 -5.082 1.00 0.00 C ATOM 1332 C VAL A 85 -4.282 7.665 -3.838 1.00 0.00 C ATOM 1333 O VAL A 85 -4.372 6.454 -3.881 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.544 9.081 -4.920 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.509 8.119 -5.492 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.470 10.411 -5.672 1.00 0.00 C ATOM 0 H VAL A 85 -4.664 10.466 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.958 7.836 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.342 9.250 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.513 8.546 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.560 7.170 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.713 7.952 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.475 10.840 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.671 10.243 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.211 11.100 -5.267 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.479 8.317 -2.725 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.820 7.574 -1.482 1.00 0.00 C ATOM 1348 C HIS A 86 -5.973 6.615 -1.780 1.00 0.00 C ATOM 1349 O HIS A 86 -6.124 5.590 -1.144 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.225 8.566 -0.387 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.220 7.921 0.540 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.580 7.897 0.266 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.067 7.271 1.741 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.186 7.250 1.279 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.308 6.850 2.200 1.00 0.00 N ATOM 0 H HIS A 86 -4.418 9.330 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.957 7.005 -1.137 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.345 8.884 0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.658 9.460 -0.835 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.037 8.297 -0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.127 7.112 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.250 7.076 1.339 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.784 6.934 -2.753 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.919 6.035 -3.100 1.00 0.00 C ATOM 1366 C GLU A 87 -7.364 4.688 -3.564 1.00 0.00 C ATOM 1367 O GLU A 87 -8.023 3.671 -3.484 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.743 6.664 -4.226 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.965 5.790 -4.520 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.238 6.535 -4.116 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.340 7.708 -4.435 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.088 5.921 -3.494 1.00 0.00 O ATOM 0 H GLU A 87 -6.709 7.778 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.555 5.890 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.061 7.667 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.133 6.766 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.999 5.540 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.893 4.850 -3.973 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.151 4.676 -4.047 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.545 3.398 -4.516 1.00 0.00 C ATOM 1381 C ASN A 88 -5.470 2.415 -3.345 1.00 0.00 C ATOM 1382 O ASN A 88 -6.098 1.375 -3.356 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.138 3.667 -5.054 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.137 4.965 -5.863 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.109 5.694 -5.865 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.079 5.289 -6.556 1.00 0.00 N ATOM 0 H ASN A 88 -5.553 5.498 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.158 2.971 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.430 3.741 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.812 2.836 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.069 6.153 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.262 4.678 -6.555 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.710 2.735 -2.332 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.604 1.814 -1.165 1.00 0.00 C ATOM 1395 C ILE A 89 -5.989 1.248 -0.847 1.00 0.00 C ATOM 1396 O ILE A 89 -6.124 0.118 -0.430 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.067 2.584 0.050 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.591 2.929 -0.189 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.197 1.726 1.316 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.854 3.028 1.150 1.00 0.00 C ATOM 0 H ILE A 89 -4.160 3.591 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.921 0.998 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.644 3.499 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.127 2.166 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.512 3.873 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.814 2.281 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.246 1.480 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.624 0.807 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.807 3.273 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.311 3.808 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.919 2.074 1.673 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.018 2.025 -1.038 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.392 1.530 -0.740 1.00 0.00 C ATOM 1414 C LYS A 90 -8.650 0.221 -1.495 1.00 0.00 C ATOM 1415 O LYS A 90 -8.894 -0.811 -0.900 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.416 2.581 -1.173 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.675 2.455 -0.312 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.443 3.137 1.038 1.00 0.00 C ATOM 1419 CE LYS A 90 -10.975 4.570 0.987 1.00 0.00 C ATOM 1420 NZ LYS A 90 -12.436 4.570 1.284 1.00 0.00 N ATOM 0 H LYS A 90 -6.968 2.982 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.484 1.349 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.992 3.580 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.668 2.447 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.523 2.912 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.922 1.404 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.945 2.580 1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.379 3.141 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.446 5.191 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.793 5.002 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.797 5.545 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.934 3.991 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.597 4.175 2.232 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.606 0.254 -2.799 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.857 -0.988 -3.589 1.00 0.00 C ATOM 1436 C GLU A 91 -7.561 -1.792 -3.728 1.00 0.00 C ATOM 1437 O GLU A 91 -7.557 -3.004 -3.640 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.369 -0.607 -4.979 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.823 -0.145 -4.881 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.424 -0.060 -6.285 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.671 0.165 -7.218 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.628 -0.222 -6.404 1.00 0.00 O ATOM 0 H GLU A 91 -8.407 1.087 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.601 -1.596 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.752 0.187 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.293 -1.461 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.397 -0.841 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.875 0.828 -4.392 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.462 -1.127 -3.949 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.166 -1.848 -4.100 1.00 0.00 C ATOM 1451 C ILE A 92 -4.938 -2.767 -2.895 1.00 0.00 C ATOM 1452 O ILE A 92 -4.667 -3.943 -3.033 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.031 -0.821 -4.186 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.722 -0.529 -5.655 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.775 -1.372 -3.504 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.877 -1.666 -6.227 1.00 0.00 C ATOM 0 H ILE A 92 -6.404 -0.112 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.188 -2.452 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.339 0.096 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.648 -0.428 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.189 0.417 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.973 -0.637 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.992 -1.581 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.465 -2.292 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.654 -1.462 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.946 -1.745 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.428 -2.603 -6.149 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.030 -2.231 -1.713 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.806 -3.056 -0.495 1.00 0.00 C ATOM 1470 C PHE A 93 -5.772 -4.244 -0.495 1.00 0.00 C ATOM 1471 O PHE A 93 -5.369 -5.387 -0.400 1.00 0.00 O ATOM 1472 CB PHE A 93 -5.057 -2.176 0.732 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.949 -2.962 2.021 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.367 -4.239 2.051 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.437 -2.393 3.201 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.279 -4.935 3.260 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.348 -3.090 4.406 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.769 -4.361 4.438 1.00 0.00 C ATOM 0 H PHE A 93 -5.252 -1.251 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.785 -3.438 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.338 -1.357 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.048 -1.729 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.988 -4.683 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.884 -1.410 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.832 -5.918 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.727 -2.647 5.315 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.700 -4.900 5.371 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.045 -3.985 -0.599 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.031 -5.100 -0.599 1.00 0.00 C ATOM 1490 C HIS A 94 -7.917 -5.902 -1.897 1.00 0.00 C ATOM 1491 O HIS A 94 -8.562 -6.918 -2.061 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.444 -4.533 -0.478 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.289 -5.477 0.332 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.061 -5.047 1.401 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.490 -6.832 0.243 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.684 -6.127 1.910 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.370 -7.236 1.239 1.00 0.00 N ATOM 0 H HIS A 94 -7.445 -3.050 -0.684 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.824 -5.756 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.416 -3.553 -0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.879 -4.395 -1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.034 -7.483 -0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.354 -6.099 2.756 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.706 -8.182 1.419 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.103 -5.466 -2.820 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.967 -6.231 -4.092 1.00 0.00 C ATOM 1508 C HIS A 95 -5.998 -7.392 -3.875 1.00 0.00 C ATOM 1509 O HIS A 95 -6.067 -8.404 -4.545 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.449 -5.317 -5.204 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.612 -4.623 -5.855 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -7.525 -4.056 -7.119 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.898 -4.397 -5.429 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.727 -3.523 -7.406 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -9.595 -3.704 -6.411 1.00 0.00 N ATOM 0 H HIS A 95 -6.533 -4.623 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.942 -6.619 -4.389 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.755 -4.583 -4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.898 -5.899 -5.942 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.304 -4.709 -4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.959 -3.012 -8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.567 -3.398 -6.377 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.103 -7.265 -2.931 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.148 -8.376 -2.666 1.00 0.00 C ATOM 1526 C LEU A 96 -4.876 -9.473 -1.891 1.00 0.00 C ATOM 1527 O LEU A 96 -4.960 -10.602 -2.330 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.963 -7.861 -1.847 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.662 -8.384 -2.460 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.501 -8.115 -1.504 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.784 -9.890 -2.699 1.00 0.00 C ATOM 0 H LEU A 96 -4.994 -6.444 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.773 -8.774 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.961 -6.771 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.050 -8.192 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.477 -7.876 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.425 -8.488 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.414 -7.042 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.685 -8.622 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.858 -10.265 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.969 -10.395 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.612 -10.084 -3.381 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.419 -9.152 -0.745 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.154 -10.186 0.035 1.00 0.00 C ATOM 1545 C GLU A 97 -7.155 -10.879 -0.892 1.00 0.00 C ATOM 1546 O GLU A 97 -7.797 -11.842 -0.523 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.907 -9.523 1.190 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.902 -10.520 1.789 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.105 -10.211 3.273 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -8.567 -9.123 3.573 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -7.793 -11.067 4.084 1.00 0.00 O ATOM 0 H GLU A 97 -5.385 -8.225 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.450 -10.914 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.204 -9.191 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.433 -8.637 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.854 -10.461 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.532 -11.538 1.666 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.289 -10.389 -2.095 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.244 -11.010 -3.056 1.00 0.00 C ATOM 1560 C GLU A 98 -7.522 -12.083 -3.872 1.00 0.00 C ATOM 1561 O GLU A 98 -8.094 -13.092 -4.232 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.793 -9.934 -3.996 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.823 -10.557 -4.941 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.320 -9.496 -5.924 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -9.659 -8.479 -6.053 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.354 -9.718 -6.533 1.00 0.00 O ATOM 0 H GLU A 98 -6.777 -9.583 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.068 -11.466 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.252 -9.132 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.980 -9.489 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.377 -11.391 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.660 -10.960 -4.370 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.263 -11.880 -4.162 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.510 -12.897 -4.946 1.00 0.00 C ATOM 1575 C LEU A 99 -5.328 -14.145 -4.085 1.00 0.00 C ATOM 1576 O LEU A 99 -4.934 -15.192 -4.558 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.143 -12.332 -5.332 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.265 -11.544 -6.637 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.446 -10.257 -6.536 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.738 -12.394 -7.795 1.00 0.00 C ATOM 0 H LEU A 99 -5.727 -11.056 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.059 -13.152 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.768 -11.686 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.423 -13.142 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.311 -11.294 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.534 -9.696 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.820 -9.651 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.399 -10.505 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.824 -11.834 -8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.692 -12.643 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.322 -13.311 -7.868 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.617 -14.032 -2.820 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.469 -15.197 -1.905 1.00 0.00 C ATOM 1594 C VAL A 100 -6.851 -15.734 -1.543 1.00 0.00 C ATOM 1595 O VAL A 100 -7.021 -16.898 -1.242 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.746 -14.747 -0.638 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.812 -13.592 -0.978 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.768 -14.273 0.389 1.00 0.00 C ATOM 0 H VAL A 100 -5.952 -13.176 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.894 -15.983 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.174 -15.580 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.293 -13.266 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.082 -13.920 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.392 -12.762 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.252 -13.952 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.336 -13.438 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.448 -15.090 0.630 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.839 -14.885 -1.556 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.206 -15.336 -1.199 1.00 0.00 C ATOM 1610 C HIS A 101 -9.571 -16.574 -2.020 1.00 0.00 C ATOM 1611 O HIS A 101 -10.564 -17.229 -1.767 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.205 -14.213 -1.489 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.607 -14.721 -1.290 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.209 -14.765 -0.040 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.541 -15.209 -2.173 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.449 -15.263 -0.203 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.699 -15.548 -1.482 1.00 0.00 N ATOM 0 H HIS A 101 -7.756 -13.898 -1.799 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.239 -15.586 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.017 -13.366 -0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.079 -13.855 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.397 -15.313 -3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.154 -15.413 0.602 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.559 -15.934 -1.871 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.777 -16.901 -3.004 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.080 -18.096 -3.842 1.00 0.00 C ATOM 1628 C ARG A 102 -7.842 -18.993 -3.918 1.00 0.00 C ATOM 1629 O ARG A 102 -7.960 -20.088 -4.444 1.00 0.00 O ATOM 1630 CB ARG A 102 -9.472 -17.649 -5.252 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.498 -16.573 -5.741 1.00 0.00 C ATOM 1632 CD ARG A 102 -9.098 -15.856 -6.951 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.060 -14.821 -6.481 1.00 0.00 N ATOM 1634 CZ ARG A 102 -10.613 -14.007 -7.338 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -10.331 -14.104 -8.609 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -11.451 -13.096 -6.924 1.00 0.00 N ATOM 1637 OXT ARG A 102 -6.799 -18.571 -3.449 1.00 0.00 O ATOM 0 H ARG A 102 -7.932 -16.392 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.905 -18.650 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.458 -18.501 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.490 -17.259 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.298 -15.858 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.544 -17.026 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.308 -15.393 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.604 -16.572 -7.599 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.287 -14.748 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.678 -14.817 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.764 -13.467 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.673 -13.021 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.884 -12.459 -7.593 1.00 0.00 H new TER 1651 ARG A 102