USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 597 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 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 60:sc= 1.14 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0.0831 USER MOD Single : A 11 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.6!) USER MOD Single : A 18 ASN : amide:sc= -1.92 K(o=-1.9,f=-6.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.979 K(o=-0.98,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -116:sc= 0.59 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-6.7!) USER MOD Single : A 39 THR OG1 : rot -42:sc= 0.159 USER MOD Single : A 40 ASN : amide:sc= -0.71 K(o=-0.71,f=-5.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -3.73 K(o=-3.7,f=-7.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -55:sc= 1.15 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0526) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -0.028 (180deg=-0.225) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 69 TYR OH : rot -169:sc= 1.22 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 31:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.473 6.514 -5.837 1.00 0.00 N ATOM 2 CA GLY A 1 -13.040 6.408 -5.629 1.00 0.00 C ATOM 3 C GLY A 1 -12.472 7.603 -4.890 1.00 0.00 C ATOM 4 O GLY A 1 -12.810 8.748 -5.194 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.813 5.673 -6.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.953 6.580 -4.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.680 7.365 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.824 5.500 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.542 6.311 -6.594 1.00 0.00 H new ATOM 8 N SER A 2 -11.609 7.339 -3.914 1.00 0.00 N ATOM 9 CA SER A 2 -10.997 8.402 -3.126 1.00 0.00 C ATOM 10 C SER A 2 -10.104 9.280 -3.997 1.00 0.00 C ATOM 11 O SER A 2 -9.007 8.877 -4.384 1.00 0.00 O ATOM 12 CB SER A 2 -10.181 7.808 -1.976 1.00 0.00 C ATOM 13 OG SER A 2 -11.019 7.439 -0.894 1.00 0.00 O ATOM 0 H SER A 2 -11.318 6.398 -3.650 1.00 0.00 H new ATOM 0 HA SER A 2 -11.795 9.021 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.631 6.935 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.442 8.534 -1.637 1.00 0.00 H new ATOM 0 HG SER A 2 -10.474 7.061 -0.173 1.00 0.00 H new ATOM 19 N SER A 3 -10.583 10.482 -4.302 1.00 0.00 N ATOM 20 CA SER A 3 -9.831 11.416 -5.131 1.00 0.00 C ATOM 21 C SER A 3 -8.366 11.460 -4.708 1.00 0.00 C ATOM 22 O SER A 3 -8.053 11.535 -3.521 1.00 0.00 O ATOM 23 CB SER A 3 -10.442 12.816 -5.041 1.00 0.00 C ATOM 24 OG SER A 3 -9.786 13.716 -5.918 1.00 0.00 O ATOM 0 H SER A 3 -11.488 10.832 -3.987 1.00 0.00 H new ATOM 0 HA SER A 3 -9.883 11.070 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.503 12.770 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.369 13.183 -4.017 1.00 0.00 H new ATOM 0 HG SER A 3 -10.196 14.603 -5.843 1.00 0.00 H new ATOM 30 N GLY A 4 -7.471 11.412 -5.691 1.00 0.00 N ATOM 31 CA GLY A 4 -6.049 11.447 -5.401 1.00 0.00 C ATOM 32 C GLY A 4 -5.475 10.067 -5.146 1.00 0.00 C ATOM 33 O GLY A 4 -6.210 9.129 -4.838 1.00 0.00 O ATOM 0 H GLY A 4 -7.705 11.350 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.522 11.908 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.875 12.077 -4.528 1.00 0.00 H new ATOM 37 N SER A 5 -4.159 9.942 -5.276 1.00 0.00 N ATOM 38 CA SER A 5 -3.487 8.666 -5.063 1.00 0.00 C ATOM 39 C SER A 5 -2.327 8.819 -4.084 1.00 0.00 C ATOM 40 O SER A 5 -1.194 9.089 -4.484 1.00 0.00 O ATOM 41 CB SER A 5 -2.977 8.105 -6.392 1.00 0.00 C ATOM 42 OG SER A 5 -1.897 8.876 -6.890 1.00 0.00 O ATOM 0 H SER A 5 -3.536 10.709 -5.528 1.00 0.00 H new ATOM 0 HA SER A 5 -4.210 7.970 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.658 7.072 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.787 8.095 -7.121 1.00 0.00 H new ATOM 0 HG SER A 5 -1.161 8.864 -6.243 1.00 0.00 H new ATOM 48 N SER A 6 -2.619 8.645 -2.799 1.00 0.00 N ATOM 49 CA SER A 6 -1.602 8.767 -1.761 1.00 0.00 C ATOM 50 C SER A 6 -1.464 7.464 -0.979 1.00 0.00 C ATOM 51 O SER A 6 -2.027 7.315 0.104 1.00 0.00 O ATOM 52 CB SER A 6 -1.950 9.912 -0.809 1.00 0.00 C ATOM 53 OG SER A 6 -1.898 11.163 -1.473 1.00 0.00 O ATOM 0 H SER A 6 -3.551 8.419 -2.452 1.00 0.00 H new ATOM 0 HA SER A 6 -0.649 8.983 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.947 9.756 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.256 9.914 0.031 1.00 0.00 H new ATOM 0 HG SER A 6 -2.126 11.878 -0.843 1.00 0.00 H new ATOM 59 N GLY A 7 -0.710 6.523 -1.538 1.00 0.00 N ATOM 60 CA GLY A 7 -0.511 5.244 -0.881 1.00 0.00 C ATOM 61 C GLY A 7 0.946 4.827 -0.853 1.00 0.00 C ATOM 62 O GLY A 7 1.526 4.504 -1.890 1.00 0.00 O ATOM 0 H GLY A 7 -0.233 6.623 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.889 5.301 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.094 4.480 -1.395 1.00 0.00 H new ATOM 66 N ASP A 8 1.540 4.835 0.335 1.00 0.00 N ATOM 67 CA ASP A 8 2.939 4.455 0.494 1.00 0.00 C ATOM 68 C ASP A 8 3.098 2.938 0.457 1.00 0.00 C ATOM 69 O ASP A 8 2.806 2.250 1.435 1.00 0.00 O ATOM 70 CB ASP A 8 3.493 5.007 1.808 1.00 0.00 C ATOM 71 CG ASP A 8 3.407 6.518 1.884 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.310 7.036 2.181 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.436 7.184 1.647 1.00 0.00 O ATOM 0 H ASP A 8 1.074 5.101 1.203 1.00 0.00 H new ATOM 0 HA ASP A 8 3.502 4.881 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.942 4.572 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.533 4.699 1.918 1.00 0.00 H new ATOM 78 N TYR A 9 3.560 2.425 -0.677 1.00 0.00 N ATOM 79 CA TYR A 9 3.754 0.989 -0.843 1.00 0.00 C ATOM 80 C TYR A 9 4.528 0.404 0.335 1.00 0.00 C ATOM 81 O TYR A 9 4.203 -0.674 0.832 1.00 0.00 O ATOM 82 CB TYR A 9 4.497 0.701 -2.149 1.00 0.00 C ATOM 83 CG TYR A 9 3.809 1.261 -3.373 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.429 1.188 -3.514 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.540 1.865 -4.389 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.797 1.697 -4.631 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.916 2.379 -5.509 1.00 0.00 C ATOM 88 CZ TYR A 9 2.544 2.292 -5.626 1.00 0.00 C ATOM 89 OH TYR A 9 1.917 2.803 -6.740 1.00 0.00 O ATOM 0 H TYR A 9 3.807 2.981 -1.495 1.00 0.00 H new ATOM 0 HA TYR A 9 2.772 0.517 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.502 1.118 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.606 -0.377 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.840 0.725 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.614 1.934 -4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.723 1.630 -4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.499 2.846 -6.289 1.00 0.00 H new ATOM 0 HH TYR A 9 2.586 3.188 -7.344 1.00 0.00 H new ATOM 99 N TYR A 10 5.552 1.125 0.777 1.00 0.00 N ATOM 100 CA TYR A 10 6.375 0.678 1.896 1.00 0.00 C ATOM 101 C TYR A 10 5.512 0.362 3.113 1.00 0.00 C ATOM 102 O TYR A 10 5.870 -0.478 3.939 1.00 0.00 O ATOM 103 CB TYR A 10 7.410 1.746 2.253 1.00 0.00 C ATOM 104 CG TYR A 10 8.442 1.975 1.173 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.296 0.954 0.773 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.564 3.211 0.551 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.241 1.159 -0.213 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.505 3.425 -0.437 1.00 0.00 C ATOM 109 CZ TYR A 10 10.342 2.396 -0.815 1.00 0.00 C ATOM 110 OH TYR A 10 11.281 2.603 -1.799 1.00 0.00 O ATOM 0 H TYR A 10 5.833 2.021 0.378 1.00 0.00 H new ATOM 0 HA TYR A 10 6.892 -0.233 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.895 2.685 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.917 1.455 3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.219 -0.016 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.911 4.019 0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.898 0.355 -0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.585 4.392 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 10 11.220 3.527 -2.120 1.00 0.00 H new ATOM 120 N GLN A 11 4.374 1.041 3.217 1.00 0.00 N ATOM 121 CA GLN A 11 3.460 0.833 4.334 1.00 0.00 C ATOM 122 C GLN A 11 2.581 -0.391 4.097 1.00 0.00 C ATOM 123 O GLN A 11 2.330 -1.174 5.014 1.00 0.00 O ATOM 124 CB GLN A 11 2.586 2.070 4.542 1.00 0.00 C ATOM 125 CG GLN A 11 3.197 3.095 5.484 1.00 0.00 C ATOM 126 CD GLN A 11 3.097 2.682 6.940 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.955 1.500 7.253 1.00 0.00 O ATOM 128 NE2 GLN A 11 3.171 3.657 7.838 1.00 0.00 N ATOM 0 H GLN A 11 4.063 1.739 2.542 1.00 0.00 H new ATOM 0 HA GLN A 11 4.055 0.662 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.401 2.541 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.618 1.759 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.245 3.243 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.696 4.053 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.289 4.623 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.110 3.440 8.833 1.00 0.00 H new ATOM 137 N ILE A 12 2.116 -0.549 2.862 1.00 0.00 N ATOM 138 CA ILE A 12 1.266 -1.678 2.506 1.00 0.00 C ATOM 139 C ILE A 12 1.976 -3.003 2.761 1.00 0.00 C ATOM 140 O ILE A 12 1.364 -3.971 3.216 1.00 0.00 O ATOM 141 CB ILE A 12 0.837 -1.615 1.028 1.00 0.00 C ATOM 142 CG1 ILE A 12 -0.079 -0.412 0.791 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.141 -2.906 0.623 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.287 -0.090 -0.672 1.00 0.00 C ATOM 0 H ILE A 12 2.314 0.090 2.092 1.00 0.00 H new ATOM 0 HA ILE A 12 0.379 -1.617 3.137 1.00 0.00 H new ATOM 0 HB ILE A 12 1.728 -1.497 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.047 -0.606 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.344 0.460 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.156 -2.846 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.823 -3.745 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.743 -3.053 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.946 0.773 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.674 0.136 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.738 -0.947 -1.172 1.00 0.00 H new ATOM 156 N LEU A 13 3.271 -3.041 2.467 1.00 0.00 N ATOM 157 CA LEU A 13 4.066 -4.247 2.666 1.00 0.00 C ATOM 158 C LEU A 13 4.629 -4.300 4.083 1.00 0.00 C ATOM 159 O LEU A 13 4.716 -5.368 4.688 1.00 0.00 O ATOM 160 CB LEU A 13 5.208 -4.303 1.649 1.00 0.00 C ATOM 161 CG LEU A 13 4.827 -4.749 0.237 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.964 -4.473 -0.735 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.460 -6.225 0.225 1.00 0.00 C ATOM 0 H LEU A 13 3.793 -2.250 2.090 1.00 0.00 H new ATOM 0 HA LEU A 13 3.415 -5.109 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.661 -3.314 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.973 -4.980 2.029 1.00 0.00 H new ATOM 0 HG LEU A 13 3.956 -4.176 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.675 -4.797 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.180 -3.405 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.853 -5.019 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.192 -6.525 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.312 -6.814 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.613 -6.395 0.890 1.00 0.00 H new ATOM 175 N GLY A 14 5.010 -3.139 4.607 1.00 0.00 N ATOM 176 CA GLY A 14 5.557 -3.075 5.949 1.00 0.00 C ATOM 177 C GLY A 14 7.072 -3.133 5.961 1.00 0.00 C ATOM 178 O GLY A 14 7.667 -3.857 6.760 1.00 0.00 O ATOM 0 H GLY A 14 4.949 -2.242 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.228 -2.153 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.160 -3.901 6.540 1.00 0.00 H new ATOM 182 N VAL A 15 7.699 -2.370 5.071 1.00 0.00 N ATOM 183 CA VAL A 15 9.154 -2.339 4.982 1.00 0.00 C ATOM 184 C VAL A 15 9.674 -0.905 4.987 1.00 0.00 C ATOM 185 O VAL A 15 8.999 0.028 4.551 1.00 0.00 O ATOM 186 CB VAL A 15 9.654 -3.049 3.710 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.612 -4.559 3.890 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.829 -2.625 2.504 1.00 0.00 C ATOM 0 H VAL A 15 7.222 -1.765 4.402 1.00 0.00 H new ATOM 0 HA VAL A 15 9.536 -2.865 5.857 1.00 0.00 H new ATOM 0 HB VAL A 15 10.689 -2.756 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.969 -5.044 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.249 -4.843 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.588 -4.873 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.196 -3.136 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.784 -2.887 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.915 -1.547 2.365 1.00 0.00 H new ATOM 198 N PRO A 16 10.903 -0.724 5.492 1.00 0.00 N ATOM 199 CA PRO A 16 11.542 0.594 5.566 1.00 0.00 C ATOM 200 C PRO A 16 11.921 1.132 4.190 1.00 0.00 C ATOM 201 O PRO A 16 12.384 0.386 3.327 1.00 0.00 O ATOM 202 CB PRO A 16 12.797 0.333 6.402 1.00 0.00 C ATOM 203 CG PRO A 16 13.095 -1.112 6.197 1.00 0.00 C ATOM 204 CD PRO A 16 11.764 -1.790 6.029 1.00 0.00 C ATOM 0 HA PRO A 16 10.878 1.346 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.628 0.959 6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.625 0.556 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.722 -1.260 5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.638 -1.523 7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.828 -2.637 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.386 -2.173 6.977 1.00 0.00 H new ATOM 212 N ARG A 17 11.721 2.431 3.993 1.00 0.00 N ATOM 213 CA ARG A 17 12.042 3.068 2.721 1.00 0.00 C ATOM 214 C ARG A 17 13.420 2.636 2.228 1.00 0.00 C ATOM 215 O ARG A 17 13.669 2.578 1.025 1.00 0.00 O ATOM 216 CB ARG A 17 11.994 4.591 2.863 1.00 0.00 C ATOM 217 CG ARG A 17 10.584 5.159 2.854 1.00 0.00 C ATOM 218 CD ARG A 17 9.936 5.061 4.226 1.00 0.00 C ATOM 219 NE ARG A 17 8.706 5.845 4.308 1.00 0.00 N ATOM 220 CZ ARG A 17 7.839 5.751 5.309 1.00 0.00 C ATOM 221 NH1 ARG A 17 8.065 4.910 6.309 1.00 0.00 N ATOM 222 NH2 ARG A 17 6.743 6.498 5.312 1.00 0.00 N ATOM 0 H ARG A 17 11.339 3.062 4.697 1.00 0.00 H new ATOM 0 HA ARG A 17 11.298 2.754 1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.486 4.876 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.563 5.041 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.612 6.202 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.978 4.621 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.716 4.017 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.638 5.408 4.984 1.00 0.00 H new ATOM 0 HE ARG A 17 8.502 6.501 3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.906 4.334 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.397 4.840 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.565 7.146 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.078 6.425 6.082 1.00 0.00 H new ATOM 236 N ASN A 18 14.311 2.334 3.167 1.00 0.00 N ATOM 237 CA ASN A 18 15.664 1.907 2.829 1.00 0.00 C ATOM 238 C ASN A 18 15.792 0.389 2.910 1.00 0.00 C ATOM 239 O ASN A 18 16.828 -0.135 3.317 1.00 0.00 O ATOM 240 CB ASN A 18 16.678 2.567 3.765 1.00 0.00 C ATOM 241 CG ASN A 18 16.371 2.305 5.227 1.00 0.00 C ATOM 242 OD1 ASN A 18 15.740 1.306 5.570 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.818 3.204 6.096 1.00 0.00 N ATOM 0 H ASN A 18 14.120 2.377 4.168 1.00 0.00 H new ATOM 0 HA ASN A 18 15.871 2.216 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.677 2.196 3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.688 3.642 3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.642 3.081 7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.337 4.018 5.766 1.00 0.00 H new ATOM 250 N ALA A 19 14.732 -0.311 2.519 1.00 0.00 N ATOM 251 CA ALA A 19 14.727 -1.768 2.545 1.00 0.00 C ATOM 252 C ALA A 19 15.522 -2.341 1.377 1.00 0.00 C ATOM 253 O ALA A 19 15.740 -1.665 0.371 1.00 0.00 O ATOM 254 CB ALA A 19 13.299 -2.291 2.521 1.00 0.00 C ATOM 0 H ALA A 19 13.866 0.108 2.180 1.00 0.00 H new ATOM 0 HA ALA A 19 15.206 -2.092 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.310 -3.381 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.760 -1.918 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.802 -1.950 1.613 1.00 0.00 H new ATOM 260 N SER A 20 15.954 -3.590 1.516 1.00 0.00 N ATOM 261 CA SER A 20 16.729 -4.252 0.474 1.00 0.00 C ATOM 262 C SER A 20 15.827 -5.094 -0.423 1.00 0.00 C ATOM 263 O SER A 20 14.891 -5.737 0.051 1.00 0.00 O ATOM 264 CB SER A 20 17.814 -5.133 1.097 1.00 0.00 C ATOM 265 OG SER A 20 18.704 -5.622 0.108 1.00 0.00 O ATOM 0 H SER A 20 15.780 -4.164 2.341 1.00 0.00 H new ATOM 0 HA SER A 20 17.202 -3.482 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.370 -4.561 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.351 -5.970 1.620 1.00 0.00 H new ATOM 0 HG SER A 20 19.389 -6.181 0.532 1.00 0.00 H new ATOM 271 N GLN A 21 16.116 -5.083 -1.720 1.00 0.00 N ATOM 272 CA GLN A 21 15.330 -5.845 -2.683 1.00 0.00 C ATOM 273 C GLN A 21 14.894 -7.183 -2.094 1.00 0.00 C ATOM 274 O GLN A 21 13.839 -7.713 -2.443 1.00 0.00 O ATOM 275 CB GLN A 21 16.136 -6.076 -3.962 1.00 0.00 C ATOM 276 CG GLN A 21 15.276 -6.392 -5.175 1.00 0.00 C ATOM 277 CD GLN A 21 14.007 -5.565 -5.223 1.00 0.00 C ATOM 278 OE1 GLN A 21 12.936 -6.026 -4.828 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.121 -4.334 -5.708 1.00 0.00 N ATOM 0 H GLN A 21 16.888 -4.555 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 21 14.438 -5.267 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.732 -5.188 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.834 -6.897 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.855 -6.215 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.015 -7.450 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.029 -3.992 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.301 -3.730 -5.764 1.00 0.00 H new ATOM 288 N LYS A 22 15.714 -7.724 -1.200 1.00 0.00 N ATOM 289 CA LYS A 22 15.414 -9.000 -0.560 1.00 0.00 C ATOM 290 C LYS A 22 14.212 -8.873 0.370 1.00 0.00 C ATOM 291 O LYS A 22 13.210 -9.567 0.202 1.00 0.00 O ATOM 292 CB LYS A 22 16.629 -9.499 0.224 1.00 0.00 C ATOM 293 CG LYS A 22 17.787 -9.931 -0.659 1.00 0.00 C ATOM 294 CD LYS A 22 18.758 -10.827 0.092 1.00 0.00 C ATOM 295 CE LYS A 22 19.818 -11.401 -0.835 1.00 0.00 C ATOM 296 NZ LYS A 22 20.967 -11.970 -0.078 1.00 0.00 N ATOM 0 H LYS A 22 16.592 -7.299 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 22 15.172 -9.721 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.969 -8.709 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.327 -10.339 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.403 -10.460 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.313 -9.050 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.239 -10.258 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.210 -11.640 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.374 -12.177 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.176 -10.620 -1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.668 -12.351 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 21.407 -11.224 0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.630 -12.733 0.543 1.00 0.00 H new ATOM 310 N GLU A 23 14.320 -7.981 1.351 1.00 0.00 N ATOM 311 CA GLU A 23 13.241 -7.764 2.307 1.00 0.00 C ATOM 312 C GLU A 23 11.915 -7.534 1.588 1.00 0.00 C ATOM 313 O GLU A 23 10.893 -8.121 1.946 1.00 0.00 O ATOM 314 CB GLU A 23 13.560 -6.568 3.206 1.00 0.00 C ATOM 315 CG GLU A 23 14.319 -6.941 4.468 1.00 0.00 C ATOM 316 CD GLU A 23 15.792 -7.192 4.211 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.519 -6.216 3.930 1.00 0.00 O ATOM 318 OE2 GLU A 23 16.217 -8.363 4.289 1.00 0.00 O ATOM 0 H GLU A 23 15.143 -7.398 1.504 1.00 0.00 H new ATOM 0 HA GLU A 23 13.150 -8.659 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.147 -5.845 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.629 -6.075 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.213 -6.141 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.873 -7.834 4.905 1.00 0.00 H new ATOM 325 N ILE A 24 11.940 -6.678 0.573 1.00 0.00 N ATOM 326 CA ILE A 24 10.740 -6.371 -0.197 1.00 0.00 C ATOM 327 C ILE A 24 10.085 -7.643 -0.724 1.00 0.00 C ATOM 328 O ILE A 24 8.898 -7.883 -0.498 1.00 0.00 O ATOM 329 CB ILE A 24 11.055 -5.440 -1.383 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.530 -4.076 -0.877 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.831 -5.283 -2.273 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.221 -3.246 -1.936 1.00 0.00 C ATOM 0 H ILE A 24 12.777 -6.184 0.264 1.00 0.00 H new ATOM 0 HA ILE A 24 10.052 -5.864 0.480 1.00 0.00 H new ATOM 0 HB ILE A 24 11.855 -5.887 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.674 -3.521 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.213 -4.225 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.070 -4.622 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.533 -6.259 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.012 -4.855 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.531 -2.293 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.097 -3.781 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.534 -3.065 -2.763 1.00 0.00 H new ATOM 344 N LYS A 25 10.865 -8.457 -1.426 1.00 0.00 N ATOM 345 CA LYS A 25 10.363 -9.707 -1.984 1.00 0.00 C ATOM 346 C LYS A 25 9.754 -10.583 -0.893 1.00 0.00 C ATOM 347 O LYS A 25 8.546 -10.820 -0.876 1.00 0.00 O ATOM 348 CB LYS A 25 11.491 -10.464 -2.689 1.00 0.00 C ATOM 349 CG LYS A 25 11.005 -11.622 -3.543 1.00 0.00 C ATOM 350 CD LYS A 25 12.116 -12.623 -3.811 1.00 0.00 C ATOM 351 CE LYS A 25 11.563 -14.014 -4.076 1.00 0.00 C ATOM 352 NZ LYS A 25 11.280 -14.233 -5.521 1.00 0.00 N ATOM 0 H LYS A 25 11.849 -8.273 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 25 9.586 -9.466 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.047 -9.768 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.187 -10.843 -1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.177 -12.122 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.621 -11.241 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.703 -12.295 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.791 -12.656 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.277 -14.761 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.648 -14.156 -3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.905 -15.193 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.580 -13.537 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.158 -14.122 -6.067 1.00 0.00 H new ATOM 366 N LYS A 26 10.596 -11.060 0.016 1.00 0.00 N ATOM 367 CA LYS A 26 10.141 -11.907 1.112 1.00 0.00 C ATOM 368 C LYS A 26 8.852 -11.364 1.720 1.00 0.00 C ATOM 369 O LYS A 26 7.886 -12.102 1.911 1.00 0.00 O ATOM 370 CB LYS A 26 11.223 -12.008 2.189 1.00 0.00 C ATOM 371 CG LYS A 26 10.867 -12.955 3.322 1.00 0.00 C ATOM 372 CD LYS A 26 12.110 -13.519 3.989 1.00 0.00 C ATOM 373 CE LYS A 26 12.694 -14.676 3.193 1.00 0.00 C ATOM 374 NZ LYS A 26 11.961 -15.948 3.443 1.00 0.00 N ATOM 0 H LYS A 26 11.599 -10.874 0.016 1.00 0.00 H new ATOM 0 HA LYS A 26 9.942 -12.901 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.153 -12.340 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.408 -11.016 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.263 -12.428 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.257 -13.772 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.858 -12.733 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.863 -13.857 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.658 -14.440 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.744 -14.804 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.390 -16.712 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.016 -16.188 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.964 -15.834 3.168 1.00 0.00 H new ATOM 388 N ALA A 27 8.845 -10.070 2.021 1.00 0.00 N ATOM 389 CA ALA A 27 7.673 -9.427 2.604 1.00 0.00 C ATOM 390 C ALA A 27 6.446 -9.616 1.718 1.00 0.00 C ATOM 391 O ALA A 27 5.396 -10.061 2.183 1.00 0.00 O ATOM 392 CB ALA A 27 7.940 -7.947 2.830 1.00 0.00 C ATOM 0 H ALA A 27 9.638 -9.446 1.871 1.00 0.00 H new ATOM 0 HA ALA A 27 7.471 -9.899 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.056 -7.480 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.785 -7.829 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.171 -7.469 1.878 1.00 0.00 H new ATOM 398 N TYR A 28 6.585 -9.276 0.442 1.00 0.00 N ATOM 399 CA TYR A 28 5.486 -9.405 -0.508 1.00 0.00 C ATOM 400 C TYR A 28 4.854 -10.791 -0.424 1.00 0.00 C ATOM 401 O TYR A 28 3.670 -10.928 -0.118 1.00 0.00 O ATOM 402 CB TYR A 28 5.982 -9.144 -1.931 1.00 0.00 C ATOM 403 CG TYR A 28 4.973 -9.503 -2.999 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.684 -8.986 -2.968 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.310 -10.360 -4.040 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.759 -9.313 -3.941 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.392 -10.691 -5.018 1.00 0.00 C ATOM 408 CZ TYR A 28 3.118 -10.165 -4.964 1.00 0.00 C ATOM 409 OH TYR A 28 2.201 -10.492 -5.936 1.00 0.00 O ATOM 0 H TYR A 28 7.448 -8.909 0.041 1.00 0.00 H new ATOM 0 HA TYR A 28 4.729 -8.664 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.242 -8.090 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.895 -9.715 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.400 -8.317 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.306 -10.774 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.760 -8.904 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.670 -11.358 -5.820 1.00 0.00 H new ATOM 0 HH TYR A 28 2.614 -11.101 -6.584 1.00 0.00 H new ATOM 419 N TYR A 29 5.654 -11.816 -0.698 1.00 0.00 N ATOM 420 CA TYR A 29 5.173 -13.192 -0.656 1.00 0.00 C ATOM 421 C TYR A 29 4.570 -13.517 0.707 1.00 0.00 C ATOM 422 O TYR A 29 3.432 -13.975 0.800 1.00 0.00 O ATOM 423 CB TYR A 29 6.315 -14.163 -0.965 1.00 0.00 C ATOM 424 CG TYR A 29 6.570 -14.346 -2.445 1.00 0.00 C ATOM 425 CD1 TYR A 29 7.422 -13.492 -3.134 1.00 0.00 C ATOM 426 CD2 TYR A 29 5.958 -15.374 -3.152 1.00 0.00 C ATOM 427 CE1 TYR A 29 7.657 -13.656 -4.485 1.00 0.00 C ATOM 428 CE2 TYR A 29 6.189 -15.545 -4.504 1.00 0.00 C ATOM 429 CZ TYR A 29 7.038 -14.684 -5.166 1.00 0.00 C ATOM 430 OH TYR A 29 7.271 -14.851 -6.512 1.00 0.00 O ATOM 0 H TYR A 29 6.637 -11.720 -0.951 1.00 0.00 H new ATOM 0 HA TYR A 29 4.396 -13.302 -1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.227 -13.802 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.087 -15.132 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.909 -12.686 -2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.291 -16.050 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.322 -12.983 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.707 -16.349 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 29 6.760 -15.620 -6.839 1.00 0.00 H new ATOM 440 N GLN A 30 5.343 -13.277 1.761 1.00 0.00 N ATOM 441 CA GLN A 30 4.885 -13.544 3.120 1.00 0.00 C ATOM 442 C GLN A 30 3.486 -12.979 3.344 1.00 0.00 C ATOM 443 O GLN A 30 2.572 -13.699 3.747 1.00 0.00 O ATOM 444 CB GLN A 30 5.859 -12.944 4.136 1.00 0.00 C ATOM 445 CG GLN A 30 7.098 -13.793 4.366 1.00 0.00 C ATOM 446 CD GLN A 30 6.774 -15.266 4.528 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.422 -15.719 5.618 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.891 -16.021 3.443 1.00 0.00 N ATOM 0 H GLN A 30 6.288 -12.899 1.701 1.00 0.00 H new ATOM 0 HA GLN A 30 4.847 -14.625 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.165 -11.955 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.342 -12.807 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.782 -13.665 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.616 -13.439 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.186 -15.603 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.686 -17.019 3.492 1.00 0.00 H new ATOM 457 N LEU A 31 3.326 -11.687 3.081 1.00 0.00 N ATOM 458 CA LEU A 31 2.038 -11.024 3.254 1.00 0.00 C ATOM 459 C LEU A 31 0.983 -11.638 2.339 1.00 0.00 C ATOM 460 O LEU A 31 -0.052 -12.116 2.803 1.00 0.00 O ATOM 461 CB LEU A 31 2.169 -9.528 2.968 1.00 0.00 C ATOM 462 CG LEU A 31 2.852 -8.694 4.053 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.394 -7.399 3.469 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.884 -8.404 5.190 1.00 0.00 C ATOM 0 H LEU A 31 4.072 -11.077 2.747 1.00 0.00 H new ATOM 0 HA LEU A 31 1.722 -11.163 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.725 -9.404 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.172 -9.122 2.800 1.00 0.00 H new ATOM 0 HG LEU A 31 3.689 -9.267 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.876 -6.819 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.121 -7.628 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.574 -6.821 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.387 -7.810 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.027 -7.851 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.544 -9.343 5.627 1.00 0.00 H new ATOM 476 N ALA A 32 1.254 -11.624 1.038 1.00 0.00 N ATOM 477 CA ALA A 32 0.331 -12.183 0.059 1.00 0.00 C ATOM 478 C ALA A 32 -0.339 -13.444 0.594 1.00 0.00 C ATOM 479 O ALA A 32 -1.565 -13.518 0.685 1.00 0.00 O ATOM 480 CB ALA A 32 1.059 -12.480 -1.243 1.00 0.00 C ATOM 0 H ALA A 32 2.106 -11.231 0.638 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.447 -11.444 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.357 -12.897 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.484 -11.558 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.858 -13.198 -1.057 1.00 0.00 H new ATOM 486 N LYS A 33 0.473 -14.436 0.945 1.00 0.00 N ATOM 487 CA LYS A 33 -0.040 -15.695 1.471 1.00 0.00 C ATOM 488 C LYS A 33 -0.923 -15.455 2.692 1.00 0.00 C ATOM 489 O LYS A 33 -1.914 -16.156 2.902 1.00 0.00 O ATOM 490 CB LYS A 33 1.117 -16.626 1.840 1.00 0.00 C ATOM 491 CG LYS A 33 0.753 -18.100 1.785 1.00 0.00 C ATOM 492 CD LYS A 33 1.600 -18.920 2.743 1.00 0.00 C ATOM 493 CE LYS A 33 0.995 -18.948 4.138 1.00 0.00 C ATOM 494 NZ LYS A 33 1.987 -19.372 5.165 1.00 0.00 N ATOM 0 H LYS A 33 1.490 -14.392 0.874 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.644 -16.166 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.951 -16.441 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.462 -16.383 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.301 -18.225 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.888 -18.471 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.695 -19.938 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.606 -18.502 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.614 -17.958 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.145 -19.630 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.536 -19.378 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.332 -20.327 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.787 -18.707 5.170 1.00 0.00 H new ATOM 508 N LYS A 34 -0.559 -14.460 3.494 1.00 0.00 N ATOM 509 CA LYS A 34 -1.319 -14.126 4.692 1.00 0.00 C ATOM 510 C LYS A 34 -2.687 -13.558 4.328 1.00 0.00 C ATOM 511 O LYS A 34 -3.708 -13.969 4.881 1.00 0.00 O ATOM 512 CB LYS A 34 -0.547 -13.117 5.545 1.00 0.00 C ATOM 513 CG LYS A 34 -1.248 -12.755 6.843 1.00 0.00 C ATOM 514 CD LYS A 34 -2.170 -11.561 6.665 1.00 0.00 C ATOM 515 CE LYS A 34 -3.258 -11.533 7.727 1.00 0.00 C ATOM 516 NZ LYS A 34 -4.384 -12.448 7.393 1.00 0.00 N ATOM 0 H LYS A 34 0.258 -13.871 3.335 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.466 -15.041 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.437 -13.526 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.387 -12.209 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.823 -13.610 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.505 -12.531 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.588 -10.640 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.627 -11.597 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.833 -11.817 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.636 -10.516 7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.251 -11.893 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.158 -12.973 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.530 -13.118 8.175 1.00 0.00 H new ATOM 530 N TYR A 35 -2.700 -12.613 3.395 1.00 0.00 N ATOM 531 CA TYR A 35 -3.943 -11.988 2.958 1.00 0.00 C ATOM 532 C TYR A 35 -4.468 -12.649 1.686 1.00 0.00 C ATOM 533 O TYR A 35 -4.894 -11.971 0.751 1.00 0.00 O ATOM 534 CB TYR A 35 -3.730 -10.492 2.718 1.00 0.00 C ATOM 535 CG TYR A 35 -3.459 -9.709 3.982 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.496 -9.342 4.831 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.167 -9.335 4.328 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.254 -8.625 5.987 1.00 0.00 C ATOM 539 CE2 TYR A 35 -1.915 -8.619 5.482 1.00 0.00 C ATOM 540 CZ TYR A 35 -2.962 -8.267 6.309 1.00 0.00 C ATOM 541 OH TYR A 35 -2.715 -7.553 7.459 1.00 0.00 O ATOM 0 H TYR A 35 -1.864 -12.263 2.927 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.683 -12.121 3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.894 -10.358 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.613 -10.082 2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.509 -9.622 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.345 -9.609 3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.072 -8.347 6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.904 -8.336 5.736 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.753 -7.383 7.538 1.00 0.00 H new ATOM 551 N HIS A 36 -4.432 -13.977 1.660 1.00 0.00 N ATOM 552 CA HIS A 36 -4.905 -14.732 0.505 1.00 0.00 C ATOM 553 C HIS A 36 -6.427 -14.839 0.511 1.00 0.00 C ATOM 554 O HIS A 36 -7.056 -15.022 1.553 1.00 0.00 O ATOM 555 CB HIS A 36 -4.284 -16.129 0.493 1.00 0.00 C ATOM 556 CG HIS A 36 -4.100 -16.691 -0.883 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.946 -17.632 -1.431 1.00 0.00 N ATOM 558 CD2 HIS A 36 -3.161 -16.438 -1.825 1.00 0.00 C ATOM 559 CE1 HIS A 36 -4.534 -17.935 -2.649 1.00 0.00 C ATOM 560 NE2 HIS A 36 -3.452 -17.224 -2.912 1.00 0.00 N ATOM 0 H HIS A 36 -4.080 -14.553 2.425 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.600 -14.199 -0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.317 -16.092 0.994 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.916 -16.804 1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.336 -15.746 -1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.002 -18.643 -3.316 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.919 -17.254 -3.781 1.00 0.00 H new ATOM 568 N PRO A 37 -7.034 -14.722 -0.679 1.00 0.00 N ATOM 569 CA PRO A 37 -8.489 -14.802 -0.837 1.00 0.00 C ATOM 570 C PRO A 37 -9.022 -16.210 -0.594 1.00 0.00 C ATOM 571 O PRO A 37 -10.232 -16.436 -0.602 1.00 0.00 O ATOM 572 CB PRO A 37 -8.711 -14.390 -2.294 1.00 0.00 C ATOM 573 CG PRO A 37 -7.431 -14.722 -2.981 1.00 0.00 C ATOM 574 CD PRO A 37 -6.346 -14.503 -1.963 1.00 0.00 C ATOM 0 HA PRO A 37 -9.012 -14.172 -0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.549 -14.930 -2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.939 -13.327 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.433 -15.754 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.281 -14.087 -3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.520 -15.200 -2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.929 -13.498 -2.029 1.00 0.00 H new ATOM 582 N ASP A 38 -8.111 -17.153 -0.377 1.00 0.00 N ATOM 583 CA ASP A 38 -8.490 -18.539 -0.130 1.00 0.00 C ATOM 584 C ASP A 38 -9.039 -18.709 1.283 1.00 0.00 C ATOM 585 O ASP A 38 -10.197 -19.082 1.471 1.00 0.00 O ATOM 586 CB ASP A 38 -7.289 -19.463 -0.339 1.00 0.00 C ATOM 587 CG ASP A 38 -7.635 -20.922 -0.111 1.00 0.00 C ATOM 588 OD1 ASP A 38 -8.102 -21.253 0.999 1.00 0.00 O ATOM 589 OD2 ASP A 38 -7.437 -21.731 -1.041 1.00 0.00 O ATOM 0 H ASP A 38 -7.105 -16.982 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.273 -18.808 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.909 -19.337 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.488 -19.172 0.340 1.00 0.00 H new ATOM 594 N THR A 39 -8.198 -18.433 2.276 1.00 0.00 N ATOM 595 CA THR A 39 -8.598 -18.557 3.672 1.00 0.00 C ATOM 596 C THR A 39 -9.465 -17.380 4.103 1.00 0.00 C ATOM 597 O THR A 39 -10.027 -17.378 5.197 1.00 0.00 O ATOM 598 CB THR A 39 -7.372 -18.644 4.601 1.00 0.00 C ATOM 599 OG1 THR A 39 -7.767 -19.130 5.889 1.00 0.00 O ATOM 600 CG2 THR A 39 -6.708 -17.284 4.749 1.00 0.00 C ATOM 0 H THR A 39 -7.236 -18.122 2.139 1.00 0.00 H new ATOM 0 HA THR A 39 -9.175 -19.478 3.755 1.00 0.00 H new ATOM 0 HB THR A 39 -6.655 -19.334 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.610 -18.706 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.845 -17.370 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.383 -16.930 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.420 -16.576 5.173 1.00 0.00 H new ATOM 608 N ASN A 40 -9.570 -16.379 3.234 1.00 0.00 N ATOM 609 CA ASN A 40 -10.370 -15.195 3.525 1.00 0.00 C ATOM 610 C ASN A 40 -11.621 -15.156 2.653 1.00 0.00 C ATOM 611 O ASN A 40 -11.675 -14.432 1.658 1.00 0.00 O ATOM 612 CB ASN A 40 -9.542 -13.928 3.306 1.00 0.00 C ATOM 613 CG ASN A 40 -8.809 -13.492 4.560 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.415 -12.974 5.498 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.498 -13.700 4.581 1.00 0.00 N ATOM 0 H ASN A 40 -9.111 -16.365 2.323 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.678 -15.243 4.569 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.820 -14.103 2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.197 -13.123 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.951 -13.427 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.037 -14.133 3.780 1.00 0.00 H new ATOM 622 N LYS A 41 -12.626 -15.938 3.032 1.00 0.00 N ATOM 623 CA LYS A 41 -13.878 -15.993 2.287 1.00 0.00 C ATOM 624 C LYS A 41 -14.820 -14.876 2.725 1.00 0.00 C ATOM 625 O LYS A 41 -15.335 -14.125 1.896 1.00 0.00 O ATOM 626 CB LYS A 41 -14.554 -17.351 2.484 1.00 0.00 C ATOM 627 CG LYS A 41 -14.105 -18.405 1.486 1.00 0.00 C ATOM 628 CD LYS A 41 -14.163 -19.800 2.084 1.00 0.00 C ATOM 629 CE LYS A 41 -14.159 -20.870 1.003 1.00 0.00 C ATOM 630 NZ LYS A 41 -14.322 -22.236 1.573 1.00 0.00 N ATOM 0 H LYS A 41 -12.598 -16.543 3.852 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.649 -15.859 1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.348 -17.707 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.634 -17.225 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.738 -18.361 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.087 -18.190 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.311 -19.948 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.062 -19.899 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.964 -20.674 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.224 -20.819 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.314 -22.936 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.540 -22.434 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.226 -22.293 2.084 1.00 0.00 H new ATOM 644 N ASP A 42 -15.040 -14.772 4.030 1.00 0.00 N ATOM 645 CA ASP A 42 -15.919 -13.745 4.578 1.00 0.00 C ATOM 646 C ASP A 42 -15.159 -12.441 4.799 1.00 0.00 C ATOM 647 O ASP A 42 -15.530 -11.630 5.649 1.00 0.00 O ATOM 648 CB ASP A 42 -16.536 -14.220 5.894 1.00 0.00 C ATOM 649 CG ASP A 42 -15.543 -14.968 6.762 1.00 0.00 C ATOM 650 OD1 ASP A 42 -14.466 -14.406 7.051 1.00 0.00 O ATOM 651 OD2 ASP A 42 -15.844 -16.115 7.153 1.00 0.00 O ATOM 0 H ASP A 42 -14.622 -15.386 4.729 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.716 -13.562 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.919 -13.360 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.387 -14.867 5.680 1.00 0.00 H new ATOM 656 N ASP A 43 -14.093 -12.246 4.031 1.00 0.00 N ATOM 657 CA ASP A 43 -13.280 -11.040 4.143 1.00 0.00 C ATOM 658 C ASP A 43 -13.221 -10.298 2.812 1.00 0.00 C ATOM 659 O ASP A 43 -12.321 -10.504 1.997 1.00 0.00 O ATOM 660 CB ASP A 43 -11.866 -11.395 4.606 1.00 0.00 C ATOM 661 CG ASP A 43 -11.749 -11.455 6.117 1.00 0.00 C ATOM 662 OD1 ASP A 43 -12.110 -12.499 6.698 1.00 0.00 O ATOM 663 OD2 ASP A 43 -11.297 -10.457 6.717 1.00 0.00 O ATOM 0 H ASP A 43 -13.771 -12.907 3.324 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.743 -10.386 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.580 -12.358 4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.164 -10.656 4.219 1.00 0.00 H new ATOM 668 N PRO A 44 -14.205 -9.415 2.582 1.00 0.00 N ATOM 669 CA PRO A 44 -14.288 -8.625 1.350 1.00 0.00 C ATOM 670 C PRO A 44 -13.189 -7.573 1.261 1.00 0.00 C ATOM 671 O PRO A 44 -12.804 -7.152 0.170 1.00 0.00 O ATOM 672 CB PRO A 44 -15.662 -7.957 1.450 1.00 0.00 C ATOM 673 CG PRO A 44 -15.949 -7.897 2.910 1.00 0.00 C ATOM 674 CD PRO A 44 -15.311 -9.120 3.509 1.00 0.00 C ATOM 0 HA PRO A 44 -14.162 -9.242 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.651 -6.961 1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.421 -8.533 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.540 -6.988 3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.023 -7.886 3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.949 -8.931 4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.014 -9.950 3.573 1.00 0.00 H new ATOM 682 N LYS A 45 -12.685 -7.151 2.416 1.00 0.00 N ATOM 683 CA LYS A 45 -11.628 -6.148 2.470 1.00 0.00 C ATOM 684 C LYS A 45 -10.293 -6.741 2.030 1.00 0.00 C ATOM 685 O LYS A 45 -9.442 -6.040 1.483 1.00 0.00 O ATOM 686 CB LYS A 45 -11.505 -5.582 3.886 1.00 0.00 C ATOM 687 CG LYS A 45 -12.378 -4.363 4.132 1.00 0.00 C ATOM 688 CD LYS A 45 -11.829 -3.502 5.258 1.00 0.00 C ATOM 689 CE LYS A 45 -12.711 -2.290 5.513 1.00 0.00 C ATOM 690 NZ LYS A 45 -12.019 -1.265 6.343 1.00 0.00 N ATOM 0 H LYS A 45 -12.992 -7.489 3.328 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.891 -5.342 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.770 -6.359 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.464 -5.317 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.444 -3.771 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.391 -4.683 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.754 -4.097 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.820 -3.173 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.005 -1.848 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.626 -2.606 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.653 -0.455 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.761 -1.679 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.159 -0.945 5.853 1.00 0.00 H new ATOM 704 N ALA A 46 -10.117 -8.035 2.273 1.00 0.00 N ATOM 705 CA ALA A 46 -8.887 -8.723 1.899 1.00 0.00 C ATOM 706 C ALA A 46 -8.659 -8.658 0.393 1.00 0.00 C ATOM 707 O ALA A 46 -7.556 -8.359 -0.066 1.00 0.00 O ATOM 708 CB ALA A 46 -8.927 -10.170 2.368 1.00 0.00 C ATOM 0 H ALA A 46 -10.811 -8.629 2.727 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.054 -8.218 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.002 -10.671 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.034 -10.198 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.773 -10.679 1.906 1.00 0.00 H new ATOM 714 N LYS A 47 -9.707 -8.942 -0.372 1.00 0.00 N ATOM 715 CA LYS A 47 -9.622 -8.917 -1.828 1.00 0.00 C ATOM 716 C LYS A 47 -8.834 -7.701 -2.305 1.00 0.00 C ATOM 717 O LYS A 47 -7.837 -7.835 -3.014 1.00 0.00 O ATOM 718 CB LYS A 47 -11.024 -8.903 -2.441 1.00 0.00 C ATOM 719 CG LYS A 47 -11.033 -8.605 -3.930 1.00 0.00 C ATOM 720 CD LYS A 47 -10.712 -9.844 -4.749 1.00 0.00 C ATOM 721 CE LYS A 47 -9.216 -9.978 -4.993 1.00 0.00 C ATOM 722 NZ LYS A 47 -8.810 -11.398 -5.183 1.00 0.00 N ATOM 0 H LYS A 47 -10.626 -9.192 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.100 -9.817 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.496 -9.870 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.629 -8.157 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.011 -8.220 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.305 -7.824 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.078 -10.730 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.235 -9.796 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.939 -9.400 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.671 -9.554 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.784 -11.447 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.051 -11.945 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.311 -11.795 -6.003 1.00 0.00 H new ATOM 736 N GLU A 48 -9.289 -6.515 -1.911 1.00 0.00 N ATOM 737 CA GLU A 48 -8.625 -5.276 -2.300 1.00 0.00 C ATOM 738 C GLU A 48 -7.241 -5.178 -1.664 1.00 0.00 C ATOM 739 O GLU A 48 -6.311 -4.629 -2.255 1.00 0.00 O ATOM 740 CB GLU A 48 -9.472 -4.069 -1.893 1.00 0.00 C ATOM 741 CG GLU A 48 -9.304 -2.870 -2.811 1.00 0.00 C ATOM 742 CD GLU A 48 -9.830 -1.587 -2.198 1.00 0.00 C ATOM 743 OE1 GLU A 48 -10.884 -1.636 -1.531 1.00 0.00 O ATOM 744 OE2 GLU A 48 -9.186 -0.533 -2.385 1.00 0.00 O ATOM 0 H GLU A 48 -10.113 -6.386 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.508 -5.280 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.522 -4.361 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.209 -3.777 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.248 -2.747 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.825 -3.060 -3.749 1.00 0.00 H new ATOM 751 N LYS A 49 -7.113 -5.713 -0.455 1.00 0.00 N ATOM 752 CA LYS A 49 -5.844 -5.688 0.263 1.00 0.00 C ATOM 753 C LYS A 49 -4.757 -6.411 -0.527 1.00 0.00 C ATOM 754 O LYS A 49 -3.661 -5.885 -0.719 1.00 0.00 O ATOM 755 CB LYS A 49 -6.001 -6.332 1.642 1.00 0.00 C ATOM 756 CG LYS A 49 -6.828 -5.503 2.610 1.00 0.00 C ATOM 757 CD LYS A 49 -5.957 -4.551 3.413 1.00 0.00 C ATOM 758 CE LYS A 49 -6.738 -3.901 4.544 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.378 -2.626 4.115 1.00 0.00 N ATOM 0 H LYS A 49 -7.873 -6.170 0.049 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.547 -4.647 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.466 -7.311 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.013 -6.498 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.576 -4.935 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.367 -6.164 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.105 -5.094 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.557 -3.779 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.504 -4.590 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.069 -3.708 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.901 -2.214 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.645 -1.959 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.035 -2.814 3.331 1.00 0.00 H new ATOM 773 N PHE A 50 -5.069 -7.620 -0.983 1.00 0.00 N ATOM 774 CA PHE A 50 -4.120 -8.415 -1.752 1.00 0.00 C ATOM 775 C PHE A 50 -3.686 -7.674 -3.013 1.00 0.00 C ATOM 776 O PHE A 50 -2.493 -7.516 -3.274 1.00 0.00 O ATOM 777 CB PHE A 50 -4.737 -9.764 -2.127 1.00 0.00 C ATOM 778 CG PHE A 50 -3.762 -10.714 -2.761 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.529 -10.680 -4.127 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.078 -11.642 -1.992 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.632 -11.553 -4.713 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.180 -12.517 -2.573 1.00 0.00 C ATOM 783 CZ PHE A 50 -1.957 -12.473 -3.935 1.00 0.00 C ATOM 0 H PHE A 50 -5.972 -8.070 -0.833 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.241 -8.586 -1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.152 -10.226 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.567 -9.597 -2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.054 -9.963 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.249 -11.682 -0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.459 -11.516 -5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.653 -13.235 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.256 -13.157 -4.391 1.00 0.00 H new ATOM 793 N SER A 51 -4.663 -7.221 -3.793 1.00 0.00 N ATOM 794 CA SER A 51 -4.383 -6.500 -5.029 1.00 0.00 C ATOM 795 C SER A 51 -3.382 -5.374 -4.787 1.00 0.00 C ATOM 796 O SER A 51 -2.532 -5.094 -5.631 1.00 0.00 O ATOM 797 CB SER A 51 -5.676 -5.931 -5.616 1.00 0.00 C ATOM 798 OG SER A 51 -5.497 -5.547 -6.968 1.00 0.00 O ATOM 0 H SER A 51 -5.655 -7.341 -3.590 1.00 0.00 H new ATOM 0 HA SER A 51 -3.948 -7.203 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.469 -6.676 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.997 -5.070 -5.030 1.00 0.00 H new ATOM 0 HG SER A 51 -6.338 -5.188 -7.320 1.00 0.00 H new ATOM 804 N GLN A 52 -3.491 -4.734 -3.627 1.00 0.00 N ATOM 805 CA GLN A 52 -2.596 -3.638 -3.274 1.00 0.00 C ATOM 806 C GLN A 52 -1.170 -4.141 -3.078 1.00 0.00 C ATOM 807 O GLN A 52 -0.213 -3.531 -3.557 1.00 0.00 O ATOM 808 CB GLN A 52 -3.084 -2.943 -2.001 1.00 0.00 C ATOM 809 CG GLN A 52 -4.446 -2.286 -2.151 1.00 0.00 C ATOM 810 CD GLN A 52 -5.198 -2.193 -0.838 1.00 0.00 C ATOM 811 OE1 GLN A 52 -6.230 -2.838 -0.653 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.681 -1.389 0.084 1.00 0.00 N ATOM 0 H GLN A 52 -4.189 -4.955 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.599 -2.921 -4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.129 -3.673 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.356 -2.187 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.319 -1.285 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.041 -2.853 -2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.823 -0.873 -0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.142 -1.287 0.988 1.00 0.00 H new ATOM 821 N LEU A 53 -1.034 -5.258 -2.371 1.00 0.00 N ATOM 822 CA LEU A 53 0.276 -5.844 -2.110 1.00 0.00 C ATOM 823 C LEU A 53 1.051 -6.044 -3.409 1.00 0.00 C ATOM 824 O LEU A 53 2.141 -5.502 -3.583 1.00 0.00 O ATOM 825 CB LEU A 53 0.123 -7.181 -1.383 1.00 0.00 C ATOM 826 CG LEU A 53 -0.360 -7.105 0.066 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.742 -8.487 0.574 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.710 -6.486 0.953 1.00 0.00 C ATOM 0 H LEU A 53 -1.815 -5.776 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 53 0.835 -5.155 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.576 -7.800 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.086 -7.692 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.245 -6.470 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.083 -8.414 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.542 -8.894 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.125 -9.145 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.349 -6.440 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.613 -7.095 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.936 -5.479 0.602 1.00 0.00 H new ATOM 840 N ALA A 54 0.478 -6.826 -4.319 1.00 0.00 N ATOM 841 CA ALA A 54 1.113 -7.094 -5.603 1.00 0.00 C ATOM 842 C ALA A 54 1.434 -5.797 -6.338 1.00 0.00 C ATOM 843 O ALA A 54 2.513 -5.650 -6.912 1.00 0.00 O ATOM 844 CB ALA A 54 0.219 -7.980 -6.459 1.00 0.00 C ATOM 0 H ALA A 54 -0.424 -7.284 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 54 2.051 -7.616 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.706 -8.172 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.044 -8.925 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.733 -7.478 -6.631 1.00 0.00 H new ATOM 850 N GLU A 55 0.491 -4.861 -6.317 1.00 0.00 N ATOM 851 CA GLU A 55 0.676 -3.577 -6.984 1.00 0.00 C ATOM 852 C GLU A 55 1.920 -2.865 -6.460 1.00 0.00 C ATOM 853 O GLU A 55 2.741 -2.376 -7.235 1.00 0.00 O ATOM 854 CB GLU A 55 -0.555 -2.691 -6.781 1.00 0.00 C ATOM 855 CG GLU A 55 -0.476 -1.362 -7.515 1.00 0.00 C ATOM 856 CD GLU A 55 -0.053 -1.519 -8.962 1.00 0.00 C ATOM 857 OE1 GLU A 55 1.167 -1.581 -9.221 1.00 0.00 O ATOM 858 OE2 GLU A 55 -0.942 -1.581 -9.836 1.00 0.00 O ATOM 0 H GLU A 55 -0.408 -4.967 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 55 0.809 -3.766 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.440 -3.231 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.684 -2.501 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.449 -0.871 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.231 -0.710 -7.002 1.00 0.00 H new ATOM 865 N ALA A 56 2.051 -2.812 -5.138 1.00 0.00 N ATOM 866 CA ALA A 56 3.195 -2.162 -4.510 1.00 0.00 C ATOM 867 C ALA A 56 4.490 -2.899 -4.833 1.00 0.00 C ATOM 868 O ALA A 56 5.500 -2.280 -5.169 1.00 0.00 O ATOM 869 CB ALA A 56 2.993 -2.080 -3.004 1.00 0.00 C ATOM 0 H ALA A 56 1.380 -3.211 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 56 3.274 -1.151 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.854 -1.593 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.093 -1.504 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.886 -3.085 -2.596 1.00 0.00 H new ATOM 875 N TYR A 57 4.454 -4.222 -4.728 1.00 0.00 N ATOM 876 CA TYR A 57 5.627 -5.043 -5.005 1.00 0.00 C ATOM 877 C TYR A 57 6.135 -4.806 -6.424 1.00 0.00 C ATOM 878 O TYR A 57 7.331 -4.620 -6.644 1.00 0.00 O ATOM 879 CB TYR A 57 5.297 -6.524 -4.811 1.00 0.00 C ATOM 880 CG TYR A 57 6.372 -7.456 -5.322 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.554 -7.639 -4.615 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.205 -8.156 -6.511 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.539 -8.489 -5.079 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.184 -9.009 -6.981 1.00 0.00 C ATOM 885 CZ TYR A 57 8.350 -9.172 -6.262 1.00 0.00 C ATOM 886 OH TYR A 57 9.328 -10.021 -6.726 1.00 0.00 O ATOM 0 H TYR A 57 3.625 -4.749 -4.453 1.00 0.00 H new ATOM 0 HA TYR A 57 6.412 -4.758 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.136 -6.716 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.360 -6.749 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.705 -7.108 -3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.294 -8.031 -7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.453 -8.618 -4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.038 -9.546 -7.907 1.00 0.00 H new ATOM 0 HH TYR A 57 9.037 -10.424 -7.571 1.00 0.00 H new ATOM 896 N GLU A 58 5.214 -4.813 -7.384 1.00 0.00 N ATOM 897 CA GLU A 58 5.568 -4.598 -8.782 1.00 0.00 C ATOM 898 C GLU A 58 6.400 -3.329 -8.945 1.00 0.00 C ATOM 899 O GLU A 58 7.444 -3.337 -9.596 1.00 0.00 O ATOM 900 CB GLU A 58 4.306 -4.508 -9.643 1.00 0.00 C ATOM 901 CG GLU A 58 4.589 -4.452 -11.134 1.00 0.00 C ATOM 902 CD GLU A 58 5.381 -5.649 -11.623 1.00 0.00 C ATOM 903 OE1 GLU A 58 4.762 -6.700 -11.890 1.00 0.00 O ATOM 904 OE2 GLU A 58 6.619 -5.535 -11.739 1.00 0.00 O ATOM 0 H GLU A 58 4.219 -4.965 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 58 6.165 -5.448 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.672 -5.370 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.743 -3.620 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.646 -4.399 -11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.140 -3.539 -11.361 1.00 0.00 H new ATOM 911 N VAL A 59 5.928 -2.239 -8.348 1.00 0.00 N ATOM 912 CA VAL A 59 6.627 -0.962 -8.425 1.00 0.00 C ATOM 913 C VAL A 59 7.983 -1.035 -7.731 1.00 0.00 C ATOM 914 O VAL A 59 9.020 -0.776 -8.343 1.00 0.00 O ATOM 915 CB VAL A 59 5.798 0.171 -7.790 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.611 1.454 -7.722 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.509 0.387 -8.568 1.00 0.00 C ATOM 0 H VAL A 59 5.064 -2.215 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 59 6.775 -0.745 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 59 5.537 -0.119 -6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.009 2.243 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.503 1.288 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.905 1.752 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.936 1.191 -8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.746 0.656 -9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.920 -0.530 -8.559 1.00 0.00 H new ATOM 927 N LEU A 60 7.968 -1.389 -6.451 1.00 0.00 N ATOM 928 CA LEU A 60 9.197 -1.497 -5.673 1.00 0.00 C ATOM 929 C LEU A 60 10.184 -2.449 -6.343 1.00 0.00 C ATOM 930 O LEU A 60 11.268 -2.042 -6.761 1.00 0.00 O ATOM 931 CB LEU A 60 8.886 -1.981 -4.256 1.00 0.00 C ATOM 932 CG LEU A 60 7.923 -1.112 -3.446 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.371 -1.888 -2.261 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.618 0.159 -2.977 1.00 0.00 C ATOM 0 H LEU A 60 7.119 -1.606 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 60 9.653 -0.508 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.470 -2.986 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.824 -2.059 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 60 7.089 -0.831 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.688 -1.253 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.836 -2.768 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.192 -2.200 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.918 0.766 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.471 -0.103 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.963 0.725 -3.842 1.00 0.00 H new ATOM 946 N SER A 61 9.799 -3.717 -6.442 1.00 0.00 N ATOM 947 CA SER A 61 10.651 -4.728 -7.060 1.00 0.00 C ATOM 948 C SER A 61 11.335 -4.174 -8.306 1.00 0.00 C ATOM 949 O SER A 61 12.472 -4.531 -8.613 1.00 0.00 O ATOM 950 CB SER A 61 9.828 -5.965 -7.424 1.00 0.00 C ATOM 951 OG SER A 61 8.801 -5.641 -8.345 1.00 0.00 O ATOM 0 H SER A 61 8.904 -4.069 -6.103 1.00 0.00 H new ATOM 0 HA SER A 61 11.419 -5.010 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.480 -6.726 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.390 -6.393 -6.522 1.00 0.00 H new ATOM 0 HG SER A 61 8.249 -4.919 -7.979 1.00 0.00 H new ATOM 957 N ASP A 62 10.634 -3.299 -9.018 1.00 0.00 N ATOM 958 CA ASP A 62 11.173 -2.693 -10.231 1.00 0.00 C ATOM 959 C ASP A 62 12.002 -1.456 -9.898 1.00 0.00 C ATOM 960 O ASP A 62 11.486 -0.481 -9.354 1.00 0.00 O ATOM 961 CB ASP A 62 10.040 -2.321 -11.188 1.00 0.00 C ATOM 962 CG ASP A 62 10.477 -2.345 -12.639 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.540 -1.768 -12.948 1.00 0.00 O ATOM 964 OD2 ASP A 62 9.754 -2.940 -13.467 1.00 0.00 O ATOM 0 H ASP A 62 9.691 -2.993 -8.777 1.00 0.00 H new ATOM 0 HA ASP A 62 11.821 -3.423 -10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.210 -3.014 -11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.670 -1.326 -10.939 1.00 0.00 H new ATOM 969 N GLU A 63 13.289 -1.506 -10.228 1.00 0.00 N ATOM 970 CA GLU A 63 14.188 -0.390 -9.962 1.00 0.00 C ATOM 971 C GLU A 63 13.669 0.893 -10.605 1.00 0.00 C ATOM 972 O GLU A 63 13.697 1.962 -9.995 1.00 0.00 O ATOM 973 CB GLU A 63 15.592 -0.702 -10.484 1.00 0.00 C ATOM 974 CG GLU A 63 15.647 -0.933 -11.985 1.00 0.00 C ATOM 975 CD GLU A 63 17.024 -1.351 -12.462 1.00 0.00 C ATOM 976 OE1 GLU A 63 18.011 -1.054 -11.756 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.116 -1.975 -13.539 1.00 0.00 O ATOM 0 H GLU A 63 13.731 -2.307 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 63 14.233 -0.243 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.257 0.122 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.971 -1.588 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.924 -1.702 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.350 -0.020 -12.500 1.00 0.00 H new ATOM 984 N VAL A 64 13.194 0.778 -11.842 1.00 0.00 N ATOM 985 CA VAL A 64 12.667 1.927 -12.568 1.00 0.00 C ATOM 986 C VAL A 64 11.476 2.539 -11.839 1.00 0.00 C ATOM 987 O VAL A 64 11.521 3.694 -11.413 1.00 0.00 O ATOM 988 CB VAL A 64 12.238 1.540 -13.995 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.606 2.728 -14.704 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.426 1.009 -14.783 1.00 0.00 C ATOM 0 H VAL A 64 13.164 -0.099 -12.362 1.00 0.00 H new ATOM 0 HA VAL A 64 13.471 2.661 -12.625 1.00 0.00 H new ATOM 0 HB VAL A 64 11.492 0.748 -13.929 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.309 2.435 -15.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.728 3.058 -14.149 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.327 3.543 -14.761 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.104 0.740 -15.789 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.197 1.778 -14.841 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.829 0.128 -14.284 1.00 0.00 H new ATOM 1000 N LYS A 65 10.411 1.758 -11.698 1.00 0.00 N ATOM 1001 CA LYS A 65 9.207 2.221 -11.019 1.00 0.00 C ATOM 1002 C LYS A 65 9.532 2.720 -9.614 1.00 0.00 C ATOM 1003 O LYS A 65 9.017 3.749 -9.177 1.00 0.00 O ATOM 1004 CB LYS A 65 8.173 1.095 -10.945 1.00 0.00 C ATOM 1005 CG LYS A 65 7.916 0.417 -12.279 1.00 0.00 C ATOM 1006 CD LYS A 65 6.760 -0.566 -12.192 1.00 0.00 C ATOM 1007 CE LYS A 65 6.404 -1.131 -13.558 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.724 -0.121 -14.415 1.00 0.00 N ATOM 0 H LYS A 65 10.357 0.800 -12.045 1.00 0.00 H new ATOM 0 HA LYS A 65 8.792 3.050 -11.593 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.512 0.348 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.235 1.499 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.697 1.171 -13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.816 -0.106 -12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.024 -1.381 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.889 -0.068 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.310 -1.478 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.756 -1.998 -13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.362 -0.582 -15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.933 0.303 -13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.402 0.622 -14.680 1.00 0.00 H new ATOM 1022 N ARG A 66 10.390 1.985 -8.914 1.00 0.00 N ATOM 1023 CA ARG A 66 10.783 2.354 -7.560 1.00 0.00 C ATOM 1024 C ARG A 66 11.459 3.722 -7.543 1.00 0.00 C ATOM 1025 O ARG A 66 11.045 4.622 -6.812 1.00 0.00 O ATOM 1026 CB ARG A 66 11.726 1.301 -6.975 1.00 0.00 C ATOM 1027 CG ARG A 66 11.865 1.379 -5.463 1.00 0.00 C ATOM 1028 CD ARG A 66 13.118 0.665 -4.981 1.00 0.00 C ATOM 1029 NE ARG A 66 13.310 0.810 -3.541 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.437 0.491 -2.914 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.467 0.012 -3.598 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.535 0.651 -1.601 1.00 0.00 N ATOM 0 H ARG A 66 10.826 1.131 -9.262 1.00 0.00 H new ATOM 0 HA ARG A 66 9.882 2.405 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.363 0.310 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.711 1.416 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.898 2.423 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.988 0.935 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.052 -0.393 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.987 1.064 -5.505 1.00 0.00 H new ATOM 0 HE ARG A 66 12.537 1.176 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.395 -0.112 -4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.331 -0.232 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.745 1.019 -1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.401 0.406 -1.121 1.00 0.00 H new ATOM 1046 N LYS A 67 12.501 3.871 -8.354 1.00 0.00 N ATOM 1047 CA LYS A 67 13.234 5.129 -8.434 1.00 0.00 C ATOM 1048 C LYS A 67 12.281 6.303 -8.633 1.00 0.00 C ATOM 1049 O LYS A 67 12.429 7.348 -8.000 1.00 0.00 O ATOM 1050 CB LYS A 67 14.246 5.080 -9.581 1.00 0.00 C ATOM 1051 CG LYS A 67 15.075 6.346 -9.714 1.00 0.00 C ATOM 1052 CD LYS A 67 16.099 6.227 -10.831 1.00 0.00 C ATOM 1053 CE LYS A 67 17.265 5.339 -10.426 1.00 0.00 C ATOM 1054 NZ LYS A 67 18.110 5.977 -9.379 1.00 0.00 N ATOM 0 H LYS A 67 12.857 3.136 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 67 13.766 5.272 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.914 4.232 -9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.715 4.904 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.418 7.193 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.585 6.549 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.622 5.819 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.469 7.218 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.885 4.387 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.876 5.120 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.024 5.484 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.270 6.975 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.627 5.918 -8.460 1.00 0.00 H new ATOM 1068 N GLN A 68 11.302 6.122 -9.514 1.00 0.00 N ATOM 1069 CA GLN A 68 10.325 7.168 -9.794 1.00 0.00 C ATOM 1070 C GLN A 68 9.420 7.404 -8.589 1.00 0.00 C ATOM 1071 O GLN A 68 9.119 8.545 -8.241 1.00 0.00 O ATOM 1072 CB GLN A 68 9.482 6.793 -11.014 1.00 0.00 C ATOM 1073 CG GLN A 68 10.190 7.028 -12.339 1.00 0.00 C ATOM 1074 CD GLN A 68 9.293 6.775 -13.534 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.154 6.330 -13.386 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.802 7.058 -14.727 1.00 0.00 N ATOM 0 H GLN A 68 11.164 5.262 -10.045 1.00 0.00 H new ATOM 0 HA GLN A 68 10.867 8.090 -10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.202 5.742 -10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.558 7.371 -10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.555 8.055 -12.374 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.062 6.378 -12.401 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.751 7.425 -14.803 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.244 6.908 -15.568 1.00 0.00 H new ATOM 1085 N TYR A 69 8.989 6.317 -7.958 1.00 0.00 N ATOM 1086 CA TYR A 69 8.116 6.406 -6.793 1.00 0.00 C ATOM 1087 C TYR A 69 8.826 7.093 -5.631 1.00 0.00 C ATOM 1088 O TYR A 69 8.213 7.841 -4.869 1.00 0.00 O ATOM 1089 CB TYR A 69 7.653 5.011 -6.370 1.00 0.00 C ATOM 1090 CG TYR A 69 7.290 4.913 -4.905 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.468 5.860 -4.307 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.768 3.871 -4.120 1.00 0.00 C ATOM 1093 CE1 TYR A 69 6.135 5.774 -2.969 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.438 3.776 -2.781 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.622 4.731 -2.211 1.00 0.00 C ATOM 1096 OH TYR A 69 6.291 4.641 -0.878 1.00 0.00 O ATOM 0 H TYR A 69 9.230 5.365 -8.233 1.00 0.00 H new ATOM 0 HA TYR A 69 7.246 7.003 -7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.789 4.727 -6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.443 4.293 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.083 6.677 -4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.408 3.123 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.497 6.520 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.817 2.959 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 69 6.848 3.959 -0.448 1.00 0.00 H new ATOM 1106 N ASP A 70 10.123 6.834 -5.502 1.00 0.00 N ATOM 1107 CA ASP A 70 10.919 7.428 -4.434 1.00 0.00 C ATOM 1108 C ASP A 70 10.821 8.950 -4.466 1.00 0.00 C ATOM 1109 O ASP A 70 10.714 9.597 -3.425 1.00 0.00 O ATOM 1110 CB ASP A 70 12.381 6.995 -4.558 1.00 0.00 C ATOM 1111 CG ASP A 70 13.107 7.022 -3.228 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.451 6.798 -2.189 1.00 0.00 O ATOM 1113 OD2 ASP A 70 14.331 7.269 -3.225 1.00 0.00 O ATOM 0 H ASP A 70 10.645 6.217 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 70 10.524 7.077 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.425 5.988 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.893 7.651 -5.262 1.00 0.00 H new ATOM 1118 N ALA A 71 10.861 9.516 -5.668 1.00 0.00 N ATOM 1119 CA ALA A 71 10.777 10.961 -5.836 1.00 0.00 C ATOM 1120 C ALA A 71 9.325 11.425 -5.872 1.00 0.00 C ATOM 1121 O ALA A 71 8.960 12.406 -5.223 1.00 0.00 O ATOM 1122 CB ALA A 71 11.502 11.389 -7.103 1.00 0.00 C ATOM 0 H ALA A 71 10.951 8.995 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 71 11.260 11.430 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.431 12.471 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.551 11.099 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.045 10.904 -7.965 1.00 0.00 H new ATOM 1128 N TYR A 72 8.501 10.716 -6.635 1.00 0.00 N ATOM 1129 CA TYR A 72 7.089 11.057 -6.759 1.00 0.00 C ATOM 1130 C TYR A 72 6.258 10.332 -5.704 1.00 0.00 C ATOM 1131 O TYR A 72 5.088 10.024 -5.923 1.00 0.00 O ATOM 1132 CB TYR A 72 6.578 10.705 -8.157 1.00 0.00 C ATOM 1133 CG TYR A 72 7.050 11.658 -9.232 1.00 0.00 C ATOM 1134 CD1 TYR A 72 6.796 13.021 -9.141 1.00 0.00 C ATOM 1135 CD2 TYR A 72 7.750 11.195 -10.339 1.00 0.00 C ATOM 1136 CE1 TYR A 72 7.224 13.895 -10.121 1.00 0.00 C ATOM 1137 CE2 TYR A 72 8.184 12.062 -11.324 1.00 0.00 C ATOM 1138 CZ TYR A 72 7.918 13.411 -11.210 1.00 0.00 C ATOM 1139 OH TYR A 72 8.348 14.278 -12.188 1.00 0.00 O ATOM 0 H TYR A 72 8.787 9.901 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 72 6.986 12.131 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.903 9.696 -8.410 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.488 10.696 -8.145 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.254 13.404 -8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.959 10.139 -10.432 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.016 14.951 -10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.728 11.686 -12.178 1.00 0.00 H new ATOM 0 HH TYR A 72 8.822 13.777 -12.884 1.00 0.00 H new ATOM 1149 N GLY A 73 6.875 10.064 -4.557 1.00 0.00 N ATOM 1150 CA GLY A 73 6.179 9.378 -3.484 1.00 0.00 C ATOM 1151 C GLY A 73 5.808 10.308 -2.346 1.00 0.00 C ATOM 1152 O GLY A 73 6.682 10.848 -1.667 1.00 0.00 O ATOM 0 H GLY A 73 7.844 10.309 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.275 8.914 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.809 8.574 -3.102 1.00 0.00 H new ATOM 1156 N SER A 74 4.509 10.497 -2.137 1.00 0.00 N ATOM 1157 CA SER A 74 4.025 11.372 -1.076 1.00 0.00 C ATOM 1158 C SER A 74 3.902 10.613 0.242 1.00 0.00 C ATOM 1159 O SER A 74 3.960 9.384 0.271 1.00 0.00 O ATOM 1160 CB SER A 74 2.672 11.973 -1.460 1.00 0.00 C ATOM 1161 OG SER A 74 1.642 11.002 -1.382 1.00 0.00 O ATOM 0 H SER A 74 3.773 10.056 -2.688 1.00 0.00 H new ATOM 0 HA SER A 74 4.748 12.177 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.440 12.808 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.723 12.374 -2.472 1.00 0.00 H new ATOM 0 HG SER A 74 0.787 11.411 -1.631 1.00 0.00 H new ATOM 1167 N GLY A 75 3.733 11.355 1.332 1.00 0.00 N ATOM 1168 CA GLY A 75 3.604 10.736 2.638 1.00 0.00 C ATOM 1169 C GLY A 75 3.097 11.702 3.690 1.00 0.00 C ATOM 1170 O GLY A 75 3.030 12.912 3.472 1.00 0.00 O ATOM 0 H GLY A 75 3.683 12.374 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.922 9.888 2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.572 10.342 2.947 1.00 0.00 H new ATOM 1174 N PRO A 76 2.728 11.166 4.863 1.00 0.00 N ATOM 1175 CA PRO A 76 2.216 11.972 5.975 1.00 0.00 C ATOM 1176 C PRO A 76 3.297 12.844 6.604 1.00 0.00 C ATOM 1177 O PRO A 76 3.015 13.931 7.110 1.00 0.00 O ATOM 1178 CB PRO A 76 1.726 10.923 6.977 1.00 0.00 C ATOM 1179 CG PRO A 76 2.531 9.706 6.675 1.00 0.00 C ATOM 1180 CD PRO A 76 2.781 9.732 5.193 1.00 0.00 C ATOM 0 HA PRO A 76 1.442 12.668 5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.879 11.254 8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.659 10.731 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 76 3.470 9.712 7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.995 8.802 6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.748 9.297 4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 76 2.025 9.166 4.648 1.00 0.00 H new ATOM 1188 N SER A 77 4.535 12.363 6.568 1.00 0.00 N ATOM 1189 CA SER A 77 5.658 13.098 7.137 1.00 0.00 C ATOM 1190 C SER A 77 5.694 14.529 6.610 1.00 0.00 C ATOM 1191 O SER A 77 5.193 14.814 5.522 1.00 0.00 O ATOM 1192 CB SER A 77 6.976 12.390 6.814 1.00 0.00 C ATOM 1193 OG SER A 77 7.328 12.566 5.452 1.00 0.00 O ATOM 0 H SER A 77 4.786 11.467 6.150 1.00 0.00 H new ATOM 0 HA SER A 77 5.527 13.131 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.769 12.782 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.885 11.327 7.035 1.00 0.00 H new ATOM 0 HG SER A 77 8.174 12.106 5.271 1.00 0.00 H new ATOM 1199 N SER A 78 6.290 15.426 7.389 1.00 0.00 N ATOM 1200 CA SER A 78 6.388 16.829 7.004 1.00 0.00 C ATOM 1201 C SER A 78 7.715 17.108 6.303 1.00 0.00 C ATOM 1202 O SER A 78 8.784 16.811 6.833 1.00 0.00 O ATOM 1203 CB SER A 78 6.249 17.729 8.233 1.00 0.00 C ATOM 1204 OG SER A 78 7.328 17.536 9.131 1.00 0.00 O ATOM 0 H SER A 78 6.712 15.206 8.291 1.00 0.00 H new ATOM 0 HA SER A 78 5.576 17.047 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.214 18.773 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.308 17.516 8.739 1.00 0.00 H new ATOM 0 HG SER A 78 8.131 17.286 8.628 1.00 0.00 H new ATOM 1210 N GLY A 79 7.635 17.682 5.107 1.00 0.00 N ATOM 1211 CA GLY A 79 8.835 17.992 4.352 1.00 0.00 C ATOM 1212 C GLY A 79 8.570 18.109 2.864 1.00 0.00 C ATOM 1213 O GLY A 79 7.838 18.996 2.425 1.00 0.00 O ATOM 0 H GLY A 79 6.761 17.938 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.259 18.928 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.580 17.216 4.525 1.00 0.00 H new TER 1217 GLY A 79