USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot 180:sc= -0.445 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 ASN : amide:sc= 0.0939 X(o=0.37,f=0.38) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.271 USER MOD Set 3.1: A 51 GLN : amide:sc= -1.03 X(o=-2.1,f=-2.2!) USER MOD Set 3.2: A 61 ASN : amide:sc= -1.06 K(o=-2.1,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 19:sc= 0.55 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.624 X(o=-0.62,f=-0.54) USER MOD Single : A 14 TYR OH : rot -176:sc= -1.21 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.53) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= 0.458 (180deg=0.125) USER MOD Single : A 38 SER OG : rot -150:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.00355 X(o=0.0035,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.9) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-1.8) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 48:sc= -0.41 USER MOD Single : A 73 THR OG1 : rot -174:sc= 1.25 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -66:sc= 0.685 USER MOD Single : A 84 GLN : amide:sc= -0.439 K(o=-0.44,f=-5.1!) USER MOD Single : A 85 MET CE :methyl 168:sc= -0.0198 (180deg=-0.296) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.64 K(o=-0.64,f=-6.4!) USER MOD Single : A 94 SER OG : rot -57:sc= 0.759 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.931 K(o=-0.93,f=-0.075) USER MOD Single : A 99 HIS : no HE2:sc= 0.387 K(o=0.39,f=-2.6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 112:sc= 0.011 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 38:sc= 0.644 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 7.978 -10.407 -6.922 1.00 0.00 N ATOM 12 CA PHE A 2 6.859 -9.705 -6.294 1.00 0.00 C ATOM 13 C PHE A 2 6.935 -9.802 -4.787 1.00 0.00 C ATOM 14 O PHE A 2 7.234 -8.786 -4.181 1.00 0.00 O ATOM 15 CB PHE A 2 5.467 -10.083 -6.871 1.00 0.00 C ATOM 16 CG PHE A 2 5.486 -9.849 -8.387 1.00 0.00 C ATOM 17 CD1 PHE A 2 5.373 -8.548 -8.889 1.00 0.00 C ATOM 18 CD2 PHE A 2 5.621 -10.920 -9.277 1.00 0.00 C ATOM 19 CE1 PHE A 2 5.389 -8.315 -10.268 1.00 0.00 C ATOM 20 CE2 PHE A 2 5.649 -10.691 -10.655 1.00 0.00 C ATOM 21 CZ PHE A 2 5.536 -9.390 -11.148 1.00 0.00 C ATOM 0 HA PHE A 2 6.967 -8.652 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.237 -11.126 -6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.688 -9.480 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.273 -7.717 -8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.704 -11.928 -8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.288 -7.310 -10.650 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.758 -11.520 -11.338 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.562 -9.214 -12.213 1.00 0.00 H new ATOM 31 N THR A 3 6.668 -10.978 -4.167 1.00 0.00 N ATOM 32 CA THR A 3 6.600 -11.063 -2.705 1.00 0.00 C ATOM 33 C THR A 3 7.588 -10.151 -2.007 1.00 0.00 C ATOM 34 O THR A 3 8.743 -10.143 -2.406 1.00 0.00 O ATOM 35 CB THR A 3 6.771 -12.516 -2.171 1.00 0.00 C ATOM 36 OG1 THR A 3 6.735 -12.538 -0.732 1.00 0.00 O ATOM 37 CG2 THR A 3 8.105 -13.167 -2.615 1.00 0.00 C ATOM 0 H THR A 3 6.501 -11.859 -4.654 1.00 0.00 H new ATOM 0 HA THR A 3 5.593 -10.723 -2.464 1.00 0.00 H new ATOM 0 HB THR A 3 5.942 -13.084 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.842 -13.459 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.168 -14.178 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.146 -13.206 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.941 -12.575 -2.241 1.00 0.00 H new ATOM 45 N GLY A 4 7.165 -9.369 -0.983 1.00 0.00 N ATOM 46 CA GLY A 4 8.092 -8.479 -0.283 1.00 0.00 C ATOM 47 C GLY A 4 7.402 -7.208 0.154 1.00 0.00 C ATOM 48 O GLY A 4 6.271 -6.989 -0.248 1.00 0.00 O ATOM 0 H GLY A 4 6.206 -9.344 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.504 -8.990 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.930 -8.235 -0.936 1.00 0.00 H new ATOM 52 N LYS A 5 8.086 -6.363 0.967 1.00 0.00 N ATOM 53 CA LYS A 5 7.522 -5.070 1.358 1.00 0.00 C ATOM 54 C LYS A 5 8.101 -4.006 0.463 1.00 0.00 C ATOM 55 O LYS A 5 9.219 -4.186 0.007 1.00 0.00 O ATOM 56 CB LYS A 5 7.846 -4.700 2.828 1.00 0.00 C ATOM 57 CG LYS A 5 7.206 -5.701 3.825 1.00 0.00 C ATOM 58 CD LYS A 5 7.529 -5.303 5.292 1.00 0.00 C ATOM 59 CE LYS A 5 6.790 -6.183 6.336 1.00 0.00 C ATOM 60 NZ LYS A 5 7.207 -7.606 6.316 1.00 0.00 N ATOM 0 H LYS A 5 9.010 -6.559 1.352 1.00 0.00 H new ATOM 0 HA LYS A 5 6.438 -5.138 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.927 -4.685 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.483 -3.694 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.126 -5.725 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.577 -6.706 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.604 -5.380 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.257 -4.259 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.966 -5.776 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.717 -6.125 6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.675 -8.134 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.015 -8.011 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.225 -7.672 6.520 1.00 0.00 H new ATOM 74 N TYR A 6 7.368 -2.897 0.206 1.00 0.00 N ATOM 75 CA TYR A 6 7.923 -1.838 -0.631 1.00 0.00 C ATOM 76 C TYR A 6 7.335 -0.504 -0.246 1.00 0.00 C ATOM 77 O TYR A 6 6.248 -0.504 0.309 1.00 0.00 O ATOM 78 CB TYR A 6 7.633 -2.079 -2.134 1.00 0.00 C ATOM 79 CG TYR A 6 8.196 -3.410 -2.650 1.00 0.00 C ATOM 80 CD1 TYR A 6 7.498 -4.600 -2.417 1.00 0.00 C ATOM 81 CD2 TYR A 6 9.394 -3.451 -3.373 1.00 0.00 C ATOM 82 CE1 TYR A 6 7.982 -5.813 -2.914 1.00 0.00 C ATOM 83 CE2 TYR A 6 9.852 -4.658 -3.910 1.00 0.00 C ATOM 84 CZ TYR A 6 9.151 -5.845 -3.684 1.00 0.00 C ATOM 85 OH TYR A 6 9.630 -7.039 -4.232 1.00 0.00 O ATOM 0 H TYR A 6 6.426 -2.726 0.557 1.00 0.00 H new ATOM 0 HA TYR A 6 9.001 -1.842 -0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.556 -2.059 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.059 -1.261 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.579 -4.581 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.967 -2.547 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.452 -6.730 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.754 -4.673 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 6 8.910 -7.704 -4.247 1.00 0.00 H new ATOM 95 N GLU A 7 8.031 0.620 -0.544 1.00 0.00 N ATOM 96 CA GLU A 7 7.469 1.946 -0.279 1.00 0.00 C ATOM 97 C GLU A 7 7.591 2.833 -1.488 1.00 0.00 C ATOM 98 O GLU A 7 8.475 2.601 -2.295 1.00 0.00 O ATOM 99 CB GLU A 7 8.091 2.658 0.951 1.00 0.00 C ATOM 100 CG GLU A 7 9.551 3.106 0.685 1.00 0.00 C ATOM 101 CD GLU A 7 10.171 3.620 1.958 1.00 0.00 C ATOM 102 OE1 GLU A 7 9.907 4.801 2.313 1.00 0.00 O ATOM 103 OE2 GLU A 7 10.922 2.847 2.614 1.00 0.00 O ATOM 0 H GLU A 7 8.963 0.626 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 7 6.418 1.772 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.487 3.527 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.068 1.986 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.133 2.269 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.568 3.884 -0.078 1.00 0.00 H new ATOM 110 N ILE A 8 6.708 3.847 -1.619 1.00 0.00 N ATOM 111 CA ILE A 8 6.789 4.752 -2.759 1.00 0.00 C ATOM 112 C ILE A 8 7.814 5.770 -2.330 1.00 0.00 C ATOM 113 O ILE A 8 7.457 6.678 -1.598 1.00 0.00 O ATOM 114 CB ILE A 8 5.396 5.356 -3.123 1.00 0.00 C ATOM 115 CG1 ILE A 8 4.460 4.207 -3.608 1.00 0.00 C ATOM 116 CG2 ILE A 8 5.522 6.473 -4.198 1.00 0.00 C ATOM 117 CD1 ILE A 8 2.983 4.628 -3.839 1.00 0.00 C ATOM 0 H ILE A 8 5.954 4.047 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 8 7.086 4.261 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 8 4.966 5.823 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.858 3.801 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.484 3.403 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.533 6.871 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.156 7.274 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.965 6.058 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.407 3.766 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.562 5.005 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.942 5.409 -4.598 1.00 0.00 H new ATOM 129 N GLU A 9 9.092 5.630 -2.754 1.00 0.00 N ATOM 130 CA GLU A 9 10.092 6.607 -2.341 1.00 0.00 C ATOM 131 C GLU A 9 9.636 7.967 -2.815 1.00 0.00 C ATOM 132 O GLU A 9 9.783 8.920 -2.064 1.00 0.00 O ATOM 133 CB GLU A 9 11.505 6.324 -2.924 1.00 0.00 C ATOM 134 CG GLU A 9 12.592 7.177 -2.210 1.00 0.00 C ATOM 135 CD GLU A 9 13.901 7.149 -2.956 1.00 0.00 C ATOM 136 OE1 GLU A 9 13.944 7.697 -4.091 1.00 0.00 O ATOM 137 OE2 GLU A 9 14.895 6.592 -2.417 1.00 0.00 O ATOM 0 H GLU A 9 9.432 4.880 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 9 10.180 6.553 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.741 5.265 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.511 6.543 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.246 8.207 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.742 6.802 -1.198 1.00 0.00 H new ATOM 144 N SER A 10 9.084 8.080 -4.049 1.00 0.00 N ATOM 145 CA SER A 10 8.717 9.398 -4.563 1.00 0.00 C ATOM 146 C SER A 10 7.626 9.290 -5.603 1.00 0.00 C ATOM 147 O SER A 10 7.448 8.216 -6.156 1.00 0.00 O ATOM 148 CB SER A 10 9.934 10.102 -5.222 1.00 0.00 C ATOM 149 OG SER A 10 10.975 10.406 -4.282 1.00 0.00 O ATOM 0 H SER A 10 8.894 7.299 -4.677 1.00 0.00 H new ATOM 0 HA SER A 10 8.367 9.980 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.336 9.463 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.601 11.024 -5.699 1.00 0.00 H new ATOM 0 HG SER A 10 11.717 10.846 -4.747 1.00 0.00 H new ATOM 155 N GLU A 11 6.907 10.404 -5.873 1.00 0.00 N ATOM 156 CA GLU A 11 5.845 10.393 -6.877 1.00 0.00 C ATOM 157 C GLU A 11 5.309 11.802 -7.011 1.00 0.00 C ATOM 158 O GLU A 11 5.181 12.423 -5.967 1.00 0.00 O ATOM 159 CB GLU A 11 4.710 9.424 -6.444 1.00 0.00 C ATOM 160 CG GLU A 11 3.379 9.661 -7.202 1.00 0.00 C ATOM 161 CD GLU A 11 3.537 9.759 -8.698 1.00 0.00 C ATOM 162 OE1 GLU A 11 4.523 9.206 -9.256 1.00 0.00 O ATOM 163 OE2 GLU A 11 2.668 10.402 -9.341 1.00 0.00 O ATOM 0 H GLU A 11 7.048 11.303 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 11 6.236 10.049 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.036 8.397 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.535 9.535 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.691 8.847 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.921 10.579 -6.834 1.00 0.00 H new ATOM 170 N LYS A 12 5.006 12.332 -8.224 1.00 0.00 N ATOM 171 CA LYS A 12 4.594 13.733 -8.328 1.00 0.00 C ATOM 172 C LYS A 12 3.475 13.922 -9.332 1.00 0.00 C ATOM 173 O LYS A 12 3.565 14.786 -10.191 1.00 0.00 O ATOM 174 CB LYS A 12 5.881 14.557 -8.626 1.00 0.00 C ATOM 175 CG LYS A 12 5.784 16.084 -8.337 1.00 0.00 C ATOM 176 CD LYS A 12 5.513 16.483 -6.854 1.00 0.00 C ATOM 177 CE LYS A 12 6.490 15.870 -5.809 1.00 0.00 C ATOM 178 NZ LYS A 12 7.907 16.237 -6.037 1.00 0.00 N ATOM 0 H LYS A 12 5.040 11.823 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 12 4.155 14.093 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.699 14.145 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.144 14.420 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.715 16.554 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.989 16.501 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.557 17.569 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.497 16.185 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.194 16.197 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.397 14.784 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.502 15.796 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.206 15.902 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.010 17.271 -5.989 1.00 0.00 H new ATOM 192 N ASN A 13 2.388 13.122 -9.213 1.00 0.00 N ATOM 193 CA ASN A 13 1.192 13.334 -10.035 1.00 0.00 C ATOM 194 C ASN A 13 -0.028 12.824 -9.289 1.00 0.00 C ATOM 195 O ASN A 13 -0.936 12.295 -9.908 1.00 0.00 O ATOM 196 CB ASN A 13 1.390 12.669 -11.425 1.00 0.00 C ATOM 197 CG ASN A 13 0.356 13.093 -12.445 1.00 0.00 C ATOM 198 OD1 ASN A 13 0.635 13.997 -13.216 1.00 0.00 O ATOM 199 ND2 ASN A 13 -0.844 12.472 -12.491 1.00 0.00 N ATOM 0 H ASN A 13 2.323 12.338 -8.564 1.00 0.00 H new ATOM 0 HA ASN A 13 1.029 14.396 -10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.383 12.917 -11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.354 11.586 -11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.539 12.757 -13.181 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.054 11.719 -11.836 1.00 0.00 H new ATOM 206 N TYR A 14 -0.061 12.976 -7.942 1.00 0.00 N ATOM 207 CA TYR A 14 -1.188 12.475 -7.154 1.00 0.00 C ATOM 208 C TYR A 14 -2.292 13.508 -7.173 1.00 0.00 C ATOM 209 O TYR A 14 -3.450 13.127 -7.152 1.00 0.00 O ATOM 210 CB TYR A 14 -0.770 12.111 -5.689 1.00 0.00 C ATOM 211 CG TYR A 14 -1.618 12.880 -4.665 1.00 0.00 C ATOM 212 CD1 TYR A 14 -1.352 14.233 -4.432 1.00 0.00 C ATOM 213 CD2 TYR A 14 -2.662 12.246 -3.986 1.00 0.00 C ATOM 214 CE1 TYR A 14 -2.233 14.989 -3.659 1.00 0.00 C ATOM 215 CE2 TYR A 14 -3.482 12.985 -3.134 1.00 0.00 C ATOM 216 CZ TYR A 14 -3.292 14.365 -2.995 1.00 0.00 C ATOM 217 OH TYR A 14 -4.132 15.135 -2.197 1.00 0.00 O ATOM 0 H TYR A 14 0.670 13.434 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.546 11.549 -7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.886 11.039 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.285 12.343 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.467 14.691 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.833 11.188 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.097 16.057 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.266 12.491 -2.580 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.782 14.554 -1.751 1.00 0.00 H new ATOM 227 N ASP A 15 -1.967 14.820 -7.190 1.00 0.00 N ATOM 228 CA ASP A 15 -3.021 15.827 -7.120 1.00 0.00 C ATOM 229 C ASP A 15 -3.843 15.796 -8.382 1.00 0.00 C ATOM 230 O ASP A 15 -5.060 15.844 -8.296 1.00 0.00 O ATOM 231 CB ASP A 15 -2.444 17.253 -6.925 1.00 0.00 C ATOM 232 CG ASP A 15 -1.522 17.658 -8.048 1.00 0.00 C ATOM 233 OD1 ASP A 15 -0.527 16.921 -8.291 1.00 0.00 O ATOM 234 OD2 ASP A 15 -1.781 18.705 -8.700 1.00 0.00 O ATOM 0 H ASP A 15 -1.017 15.186 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.644 15.590 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.264 17.968 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.903 17.297 -5.980 1.00 0.00 H new ATOM 239 N GLU A 16 -3.196 15.715 -9.566 1.00 0.00 N ATOM 240 CA GLU A 16 -3.960 15.658 -10.808 1.00 0.00 C ATOM 241 C GLU A 16 -4.744 14.364 -10.843 1.00 0.00 C ATOM 242 O GLU A 16 -5.850 14.359 -11.361 1.00 0.00 O ATOM 243 CB GLU A 16 -3.010 15.782 -12.031 1.00 0.00 C ATOM 244 CG GLU A 16 -3.772 15.864 -13.380 1.00 0.00 C ATOM 245 CD GLU A 16 -4.737 17.022 -13.405 1.00 0.00 C ATOM 246 OE1 GLU A 16 -4.267 18.189 -13.321 1.00 0.00 O ATOM 247 OE2 GLU A 16 -5.971 16.778 -13.504 1.00 0.00 O ATOM 0 H GLU A 16 -2.182 15.689 -9.676 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.660 16.493 -10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.390 16.671 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.337 14.925 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.057 15.968 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.315 14.934 -13.549 1.00 0.00 H new ATOM 254 N PHE A 17 -4.195 13.260 -10.282 1.00 0.00 N ATOM 255 CA PHE A 17 -4.943 12.001 -10.257 1.00 0.00 C ATOM 256 C PHE A 17 -6.183 12.193 -9.419 1.00 0.00 C ATOM 257 O PHE A 17 -7.256 11.793 -9.844 1.00 0.00 O ATOM 258 CB PHE A 17 -4.071 10.854 -9.677 1.00 0.00 C ATOM 259 CG PHE A 17 -4.700 9.454 -9.784 1.00 0.00 C ATOM 260 CD1 PHE A 17 -4.919 8.866 -11.035 1.00 0.00 C ATOM 261 CD2 PHE A 17 -5.029 8.730 -8.631 1.00 0.00 C ATOM 262 CE1 PHE A 17 -5.294 7.523 -11.135 1.00 0.00 C ATOM 263 CE2 PHE A 17 -5.429 7.393 -8.728 1.00 0.00 C ATOM 264 CZ PHE A 17 -5.540 6.781 -9.978 1.00 0.00 C ATOM 0 H PHE A 17 -3.269 13.223 -9.857 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.222 11.724 -11.274 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.112 10.847 -10.195 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.866 11.066 -8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.797 9.455 -11.932 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.974 9.206 -7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.393 7.060 -12.106 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.653 6.832 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.815 5.739 -10.050 1.00 0.00 H new ATOM 274 N MET A 18 -6.054 12.817 -8.226 1.00 0.00 N ATOM 275 CA MET A 18 -7.234 13.067 -7.410 1.00 0.00 C ATOM 276 C MET A 18 -8.194 13.996 -8.111 1.00 0.00 C ATOM 277 O MET A 18 -9.385 13.747 -8.040 1.00 0.00 O ATOM 278 CB MET A 18 -6.917 13.679 -6.023 1.00 0.00 C ATOM 279 CG MET A 18 -6.261 12.677 -5.042 1.00 0.00 C ATOM 280 SD MET A 18 -7.375 11.264 -4.737 1.00 0.00 S ATOM 281 CE MET A 18 -6.463 10.398 -3.428 1.00 0.00 C ATOM 0 H MET A 18 -5.172 13.142 -7.829 1.00 0.00 H new ATOM 0 HA MET A 18 -7.678 12.083 -7.258 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.254 14.534 -6.155 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.839 14.057 -5.582 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.316 12.321 -5.453 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.031 13.177 -4.101 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.014 9.507 -3.129 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.480 10.109 -3.800 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.346 11.058 -2.568 1.00 0.00 H new ATOM 291 N LYS A 19 -7.719 15.070 -8.779 1.00 0.00 N ATOM 292 CA LYS A 19 -8.656 15.964 -9.457 1.00 0.00 C ATOM 293 C LYS A 19 -9.485 15.163 -10.432 1.00 0.00 C ATOM 294 O LYS A 19 -10.682 15.387 -10.517 1.00 0.00 O ATOM 295 CB LYS A 19 -7.923 17.108 -10.212 1.00 0.00 C ATOM 296 CG LYS A 19 -8.873 18.048 -11.007 1.00 0.00 C ATOM 297 CD LYS A 19 -9.982 18.775 -10.187 1.00 0.00 C ATOM 298 CE LYS A 19 -9.468 19.790 -9.121 1.00 0.00 C ATOM 299 NZ LYS A 19 -9.292 19.225 -7.761 1.00 0.00 N ATOM 0 H LYS A 19 -6.734 15.324 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.293 16.423 -8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.359 17.702 -9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.200 16.671 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.266 18.804 -11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.356 17.462 -11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.636 19.303 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.591 18.023 -9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.514 20.197 -9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.168 20.624 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.949 19.967 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.203 18.862 -7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.601 18.449 -7.794 1.00 0.00 H new ATOM 313 N ARG A 20 -8.868 14.213 -11.170 1.00 0.00 N ATOM 314 CA ARG A 20 -9.641 13.410 -12.117 1.00 0.00 C ATOM 315 C ARG A 20 -10.650 12.599 -11.332 1.00 0.00 C ATOM 316 O ARG A 20 -11.821 12.614 -11.679 1.00 0.00 O ATOM 317 CB ARG A 20 -8.717 12.501 -12.975 1.00 0.00 C ATOM 318 CG ARG A 20 -9.331 12.107 -14.350 1.00 0.00 C ATOM 319 CD ARG A 20 -10.621 11.242 -14.256 1.00 0.00 C ATOM 320 NE ARG A 20 -11.828 12.059 -14.393 1.00 0.00 N ATOM 321 CZ ARG A 20 -12.234 12.583 -15.534 1.00 0.00 C ATOM 322 NH1 ARG A 20 -11.577 12.449 -16.665 1.00 0.00 N ATOM 323 NH2 ARG A 20 -13.351 13.275 -15.546 1.00 0.00 N ATOM 0 H ARG A 20 -7.872 13.995 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.162 14.062 -12.818 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.771 13.015 -13.143 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.492 11.594 -12.414 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.558 13.016 -14.906 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.583 11.560 -14.924 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.606 10.480 -15.035 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.641 10.720 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.388 12.233 -13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.707 11.918 -16.689 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.938 12.876 -17.518 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.884 13.398 -14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.685 13.690 -16.416 1.00 0.00 H new ATOM 337 N LEU A 21 -10.220 11.899 -10.256 1.00 0.00 N ATOM 338 CA LEU A 21 -11.178 11.152 -9.432 1.00 0.00 C ATOM 339 C LEU A 21 -12.255 12.084 -8.913 1.00 0.00 C ATOM 340 O LEU A 21 -13.366 11.624 -8.704 1.00 0.00 O ATOM 341 CB LEU A 21 -10.500 10.439 -8.227 1.00 0.00 C ATOM 342 CG LEU A 21 -9.649 9.209 -8.664 1.00 0.00 C ATOM 343 CD1 LEU A 21 -8.495 8.935 -7.660 1.00 0.00 C ATOM 344 CD2 LEU A 21 -10.520 7.928 -8.802 1.00 0.00 C ATOM 0 H LEU A 21 -9.248 11.840 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.614 10.385 -10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.863 11.149 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.266 10.115 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.226 9.454 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.920 8.071 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.843 9.807 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.911 8.735 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.891 7.092 -9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.986 7.700 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.294 8.093 -9.551 1.00 0.00 H new ATOM 356 N ALA A 22 -11.940 13.385 -8.709 1.00 0.00 N ATOM 357 CA ALA A 22 -12.942 14.367 -8.305 1.00 0.00 C ATOM 358 C ALA A 22 -13.405 14.098 -6.895 1.00 0.00 C ATOM 359 O ALA A 22 -14.599 13.963 -6.675 1.00 0.00 O ATOM 360 CB ALA A 22 -14.094 14.483 -9.337 1.00 0.00 C ATOM 0 H ALA A 22 -11.000 13.766 -8.820 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.480 15.354 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.816 15.225 -8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.689 14.789 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.588 13.517 -9.441 1.00 0.00 H new ATOM 366 N LEU A 23 -12.454 14.047 -5.931 1.00 0.00 N ATOM 367 CA LEU A 23 -12.824 14.016 -4.516 1.00 0.00 C ATOM 368 C LEU A 23 -12.833 15.469 -4.087 1.00 0.00 C ATOM 369 O LEU A 23 -12.039 16.200 -4.660 1.00 0.00 O ATOM 370 CB LEU A 23 -11.815 13.176 -3.681 1.00 0.00 C ATOM 371 CG LEU A 23 -11.483 11.784 -4.303 1.00 0.00 C ATOM 372 CD1 LEU A 23 -10.612 10.962 -3.311 1.00 0.00 C ATOM 373 CD2 LEU A 23 -12.757 10.977 -4.678 1.00 0.00 C ATOM 0 H LEU A 23 -11.450 14.027 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.792 13.540 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.891 13.743 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.221 13.028 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.934 11.965 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.382 9.990 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.685 11.499 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.158 10.820 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.467 10.017 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.357 10.809 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.341 11.538 -5.407 1.00 0.00 H new ATOM 385 N PRO A 24 -13.669 15.978 -3.148 1.00 0.00 N ATOM 386 CA PRO A 24 -13.691 17.414 -2.912 1.00 0.00 C ATOM 387 C PRO A 24 -12.395 17.896 -2.303 1.00 0.00 C ATOM 388 O PRO A 24 -11.622 17.085 -1.820 1.00 0.00 O ATOM 389 CB PRO A 24 -14.907 17.542 -1.962 1.00 0.00 C ATOM 390 CG PRO A 24 -14.964 16.164 -1.265 1.00 0.00 C ATOM 391 CD PRO A 24 -14.609 15.163 -2.391 1.00 0.00 C ATOM 0 HA PRO A 24 -13.783 18.028 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.772 18.350 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.825 17.753 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.255 16.104 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.953 15.966 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.157 14.247 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.478 14.869 -2.980 1.00 0.00 H new ATOM 399 N SER A 25 -12.144 19.224 -2.344 1.00 0.00 N ATOM 400 CA SER A 25 -10.838 19.745 -1.950 1.00 0.00 C ATOM 401 C SER A 25 -10.487 19.348 -0.540 1.00 0.00 C ATOM 402 O SER A 25 -9.334 19.032 -0.297 1.00 0.00 O ATOM 403 CB SER A 25 -10.791 21.290 -2.061 1.00 0.00 C ATOM 404 OG SER A 25 -11.108 21.657 -3.414 1.00 0.00 O ATOM 0 H SER A 25 -12.817 19.931 -2.640 1.00 0.00 H new ATOM 0 HA SER A 25 -10.110 19.311 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.502 21.742 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.802 21.660 -1.789 1.00 0.00 H new ATOM 0 HG SER A 25 -11.085 22.633 -3.502 1.00 0.00 H new ATOM 410 N ASP A 26 -11.459 19.352 0.400 1.00 0.00 N ATOM 411 CA ASP A 26 -11.145 18.925 1.760 1.00 0.00 C ATOM 412 C ASP A 26 -10.464 17.579 1.705 1.00 0.00 C ATOM 413 O ASP A 26 -9.415 17.417 2.305 1.00 0.00 O ATOM 414 CB ASP A 26 -12.405 18.825 2.661 1.00 0.00 C ATOM 415 CG ASP A 26 -13.098 20.152 2.847 1.00 0.00 C ATOM 416 OD1 ASP A 26 -12.629 21.175 2.278 1.00 0.00 O ATOM 417 OD2 ASP A 26 -14.130 20.181 3.571 1.00 0.00 O ATOM 0 H ASP A 26 -12.426 19.636 0.242 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.492 19.678 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.104 18.114 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.119 18.430 3.636 1.00 0.00 H new ATOM 422 N ALA A 27 -11.041 16.600 0.973 1.00 0.00 N ATOM 423 CA ALA A 27 -10.446 15.266 0.945 1.00 0.00 C ATOM 424 C ALA A 27 -9.069 15.288 0.324 1.00 0.00 C ATOM 425 O ALA A 27 -8.208 14.539 0.758 1.00 0.00 O ATOM 426 CB ALA A 27 -11.328 14.282 0.133 1.00 0.00 C ATOM 0 H ALA A 27 -11.888 16.711 0.416 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.373 14.934 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.863 13.296 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.315 14.215 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.427 14.642 -0.891 1.00 0.00 H new ATOM 432 N ILE A 28 -8.846 16.141 -0.700 1.00 0.00 N ATOM 433 CA ILE A 28 -7.548 16.149 -1.371 1.00 0.00 C ATOM 434 C ILE A 28 -6.534 16.685 -0.391 1.00 0.00 C ATOM 435 O ILE A 28 -5.497 16.066 -0.221 1.00 0.00 O ATOM 436 CB ILE A 28 -7.562 16.976 -2.695 1.00 0.00 C ATOM 437 CG1 ILE A 28 -8.627 16.385 -3.668 1.00 0.00 C ATOM 438 CG2 ILE A 28 -6.154 17.033 -3.357 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.681 17.090 -5.047 1.00 0.00 C ATOM 0 H ILE A 28 -9.528 16.807 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.288 15.134 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.833 18.005 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.417 15.326 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.609 16.451 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.207 17.618 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.448 17.500 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.820 16.022 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.446 16.621 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.923 18.144 -4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.712 17.002 -5.539 1.00 0.00 H new ATOM 451 N ASP A 29 -6.805 17.835 0.267 1.00 0.00 N ATOM 452 CA ASP A 29 -5.787 18.405 1.148 1.00 0.00 C ATOM 453 C ASP A 29 -5.386 17.417 2.222 1.00 0.00 C ATOM 454 O ASP A 29 -4.234 17.450 2.629 1.00 0.00 O ATOM 455 CB ASP A 29 -6.170 19.789 1.737 1.00 0.00 C ATOM 456 CG ASP A 29 -7.396 19.787 2.612 1.00 0.00 C ATOM 457 OD1 ASP A 29 -7.548 18.854 3.441 1.00 0.00 O ATOM 458 OD2 ASP A 29 -8.215 20.740 2.488 1.00 0.00 O ATOM 0 H ASP A 29 -7.679 18.358 0.205 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.916 18.599 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.328 20.167 2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.329 20.486 0.915 1.00 0.00 H new ATOM 463 N LYS A 30 -6.286 16.517 2.686 1.00 0.00 N ATOM 464 CA LYS A 30 -5.855 15.493 3.639 1.00 0.00 C ATOM 465 C LYS A 30 -4.889 14.555 2.946 1.00 0.00 C ATOM 466 O LYS A 30 -3.843 14.268 3.507 1.00 0.00 O ATOM 467 CB LYS A 30 -7.015 14.650 4.248 1.00 0.00 C ATOM 468 CG LYS A 30 -8.152 15.479 4.913 1.00 0.00 C ATOM 469 CD LYS A 30 -7.647 16.563 5.902 1.00 0.00 C ATOM 470 CE LYS A 30 -8.826 17.346 6.544 1.00 0.00 C ATOM 471 NZ LYS A 30 -8.336 18.460 7.388 1.00 0.00 N ATOM 0 H LYS A 30 -7.271 16.485 2.424 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.391 16.026 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.448 14.034 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.599 13.971 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.741 15.960 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.820 14.800 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.052 16.093 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.991 17.258 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.474 17.738 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.430 16.668 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.146 18.964 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.737 18.081 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.780 19.118 6.806 1.00 0.00 H new ATOM 485 N ALA A 31 -5.222 14.067 1.727 1.00 0.00 N ATOM 486 CA ALA A 31 -4.345 13.116 1.040 1.00 0.00 C ATOM 487 C ALA A 31 -3.202 13.765 0.287 1.00 0.00 C ATOM 488 O ALA A 31 -2.480 13.036 -0.374 1.00 0.00 O ATOM 489 CB ALA A 31 -5.193 12.159 0.163 1.00 0.00 C ATOM 0 H ALA A 31 -6.071 14.314 1.218 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.842 12.523 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.536 11.454 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.894 11.612 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.746 12.738 -0.577 1.00 0.00 H new ATOM 495 N ARG A 32 -2.986 15.100 0.371 1.00 0.00 N ATOM 496 CA ARG A 32 -1.772 15.689 -0.200 1.00 0.00 C ATOM 497 C ARG A 32 -0.654 15.416 0.780 1.00 0.00 C ATOM 498 O ARG A 32 -0.944 15.307 1.960 1.00 0.00 O ATOM 499 CB ARG A 32 -2.004 17.188 -0.556 1.00 0.00 C ATOM 500 CG ARG A 32 -0.794 17.894 -1.242 1.00 0.00 C ATOM 501 CD ARG A 32 0.184 18.523 -0.210 1.00 0.00 C ATOM 502 NE ARG A 32 1.416 19.027 -0.823 1.00 0.00 N ATOM 503 CZ ARG A 32 2.411 19.546 -0.131 1.00 0.00 C ATOM 504 NH1 ARG A 32 2.376 19.682 1.175 1.00 0.00 N ATOM 505 NH2 ARG A 32 3.485 19.949 -0.771 1.00 0.00 N ATOM 0 H ARG A 32 -3.620 15.763 0.816 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.492 15.242 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.870 17.260 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.252 17.729 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.256 17.172 -1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.162 18.671 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.319 19.340 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.438 17.777 0.543 1.00 0.00 H new ATOM 0 HE ARG A 32 1.508 18.974 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.554 19.380 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.171 20.090 1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.538 19.858 -1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.265 20.353 -0.253 1.00 0.00 H new ATOM 519 N ASN A 33 0.614 15.273 0.318 1.00 0.00 N ATOM 520 CA ASN A 33 1.697 14.887 1.225 1.00 0.00 C ATOM 521 C ASN A 33 1.307 13.595 1.900 1.00 0.00 C ATOM 522 O ASN A 33 1.237 13.532 3.117 1.00 0.00 O ATOM 523 CB ASN A 33 2.087 16.023 2.209 1.00 0.00 C ATOM 524 CG ASN A 33 3.158 15.581 3.181 1.00 0.00 C ATOM 525 OD1 ASN A 33 2.870 15.451 4.361 1.00 0.00 O ATOM 526 ND2 ASN A 33 4.404 15.336 2.719 1.00 0.00 N ATOM 0 H ASN A 33 0.896 15.417 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 33 2.613 14.717 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.441 16.886 1.646 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.204 16.344 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.136 15.033 3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.613 15.454 1.728 1.00 0.00 H new ATOM 533 N LEU A 34 1.052 12.544 1.087 1.00 0.00 N ATOM 534 CA LEU A 34 0.741 11.229 1.639 1.00 0.00 C ATOM 535 C LEU A 34 1.279 10.189 0.694 1.00 0.00 C ATOM 536 O LEU A 34 1.215 10.407 -0.505 1.00 0.00 O ATOM 537 CB LEU A 34 -0.794 11.088 1.831 1.00 0.00 C ATOM 538 CG LEU A 34 -1.253 9.747 2.479 1.00 0.00 C ATOM 539 CD1 LEU A 34 -0.791 9.620 3.959 1.00 0.00 C ATOM 540 CD2 LEU A 34 -2.804 9.634 2.422 1.00 0.00 C ATOM 0 H LEU A 34 1.058 12.590 0.068 1.00 0.00 H new ATOM 0 HA LEU A 34 1.204 11.097 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.145 11.913 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.278 11.190 0.860 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.790 8.941 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.135 8.669 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.297 9.663 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.211 10.439 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.117 8.694 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.250 10.467 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.133 9.662 1.383 1.00 0.00 H new ATOM 552 N LYS A 35 1.816 9.072 1.230 1.00 0.00 N ATOM 553 CA LYS A 35 2.378 8.035 0.389 1.00 0.00 C ATOM 554 C LYS A 35 1.829 6.743 0.936 1.00 0.00 C ATOM 555 O LYS A 35 1.103 6.769 1.918 1.00 0.00 O ATOM 556 CB LYS A 35 3.929 8.100 0.451 1.00 0.00 C ATOM 557 CG LYS A 35 4.467 9.479 -0.021 1.00 0.00 C ATOM 558 CD LYS A 35 5.985 9.446 -0.360 1.00 0.00 C ATOM 559 CE LYS A 35 6.870 8.948 0.816 1.00 0.00 C ATOM 560 NZ LYS A 35 8.305 8.943 0.450 1.00 0.00 N ATOM 0 H LYS A 35 1.864 8.882 2.231 1.00 0.00 H new ATOM 0 HA LYS A 35 2.115 8.142 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.260 7.910 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.351 7.312 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.909 9.801 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.289 10.220 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.143 8.799 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.307 10.447 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.717 9.588 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.563 7.942 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.763 8.101 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.399 8.926 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.762 9.799 0.825 1.00 0.00 H new ATOM 574 N ILE A 36 2.167 5.617 0.283 1.00 0.00 N ATOM 575 CA ILE A 36 1.598 4.331 0.656 1.00 0.00 C ATOM 576 C ILE A 36 2.722 3.329 0.742 1.00 0.00 C ATOM 577 O ILE A 36 3.618 3.410 -0.083 1.00 0.00 O ATOM 578 CB ILE A 36 0.567 3.921 -0.433 1.00 0.00 C ATOM 579 CG1 ILE A 36 -0.425 5.092 -0.708 1.00 0.00 C ATOM 580 CG2 ILE A 36 -0.174 2.631 0.001 1.00 0.00 C ATOM 581 CD1 ILE A 36 -1.528 4.737 -1.738 1.00 0.00 C ATOM 0 H ILE A 36 2.825 5.581 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 36 1.091 4.378 1.620 1.00 0.00 H new ATOM 0 HB ILE A 36 1.090 3.710 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.896 5.387 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.135 5.955 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.895 2.350 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.547 1.825 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.696 2.810 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.182 5.597 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.066 4.470 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.112 3.894 -1.369 1.00 0.00 H new ATOM 593 N ILE A 37 2.682 2.387 1.716 1.00 0.00 N ATOM 594 CA ILE A 37 3.681 1.327 1.756 1.00 0.00 C ATOM 595 C ILE A 37 3.007 0.192 1.031 1.00 0.00 C ATOM 596 O ILE A 37 2.005 -0.279 1.542 1.00 0.00 O ATOM 597 CB ILE A 37 4.117 0.985 3.211 1.00 0.00 C ATOM 598 CG1 ILE A 37 4.687 2.272 3.882 1.00 0.00 C ATOM 599 CG2 ILE A 37 5.162 -0.166 3.203 1.00 0.00 C ATOM 600 CD1 ILE A 37 5.182 2.048 5.335 1.00 0.00 C ATOM 0 H ILE A 37 1.984 2.350 2.459 1.00 0.00 H new ATOM 0 HA ILE A 37 4.625 1.599 1.285 1.00 0.00 H new ATOM 0 HB ILE A 37 3.259 0.640 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.513 2.650 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.916 3.042 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.459 -0.395 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.723 -1.053 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.038 0.142 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.565 2.986 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.354 1.699 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.976 1.301 5.338 1.00 0.00 H new ATOM 612 N SER A 38 3.494 -0.251 -0.152 1.00 0.00 N ATOM 613 CA SER A 38 2.777 -1.292 -0.883 1.00 0.00 C ATOM 614 C SER A 38 3.403 -2.592 -0.457 1.00 0.00 C ATOM 615 O SER A 38 4.613 -2.694 -0.584 1.00 0.00 O ATOM 616 CB SER A 38 2.770 -1.114 -2.426 1.00 0.00 C ATOM 617 OG SER A 38 4.076 -1.226 -3.011 1.00 0.00 O ATOM 0 H SER A 38 4.347 0.087 -0.597 1.00 0.00 H new ATOM 0 HA SER A 38 1.716 -1.249 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.114 -1.863 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.351 -0.138 -2.671 1.00 0.00 H new ATOM 0 HG SER A 38 4.122 -0.672 -3.818 1.00 0.00 H new ATOM 623 N GLU A 39 2.617 -3.566 0.063 1.00 0.00 N ATOM 624 CA GLU A 39 3.211 -4.801 0.569 1.00 0.00 C ATOM 625 C GLU A 39 2.534 -5.924 -0.172 1.00 0.00 C ATOM 626 O GLU A 39 1.331 -6.054 -0.011 1.00 0.00 O ATOM 627 CB GLU A 39 3.035 -4.924 2.108 1.00 0.00 C ATOM 628 CG GLU A 39 3.612 -3.678 2.831 1.00 0.00 C ATOM 629 CD GLU A 39 3.489 -3.755 4.333 1.00 0.00 C ATOM 630 OE1 GLU A 39 3.429 -4.889 4.882 1.00 0.00 O ATOM 631 OE2 GLU A 39 3.453 -2.674 4.980 1.00 0.00 O ATOM 0 H GLU A 39 1.601 -3.513 0.137 1.00 0.00 H new ATOM 0 HA GLU A 39 4.288 -4.824 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.978 -5.033 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.538 -5.823 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.663 -3.565 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.095 -2.787 2.475 1.00 0.00 H new ATOM 638 N VAL A 40 3.269 -6.717 -0.989 1.00 0.00 N ATOM 639 CA VAL A 40 2.629 -7.758 -1.789 1.00 0.00 C ATOM 640 C VAL A 40 3.009 -9.090 -1.191 1.00 0.00 C ATOM 641 O VAL A 40 4.162 -9.247 -0.819 1.00 0.00 O ATOM 642 CB VAL A 40 2.937 -7.655 -3.316 1.00 0.00 C ATOM 643 CG1 VAL A 40 4.457 -7.544 -3.621 1.00 0.00 C ATOM 644 CG2 VAL A 40 2.329 -8.863 -4.085 1.00 0.00 C ATOM 0 H VAL A 40 4.280 -6.650 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 40 1.547 -7.631 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 40 2.470 -6.732 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.608 -7.475 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.860 -6.653 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.970 -8.426 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.556 -8.770 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.756 -9.790 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.248 -8.877 -3.945 1.00 0.00 H new ATOM 654 N LYS A 41 2.052 -10.045 -1.091 1.00 0.00 N ATOM 655 CA LYS A 41 2.372 -11.390 -0.624 1.00 0.00 C ATOM 656 C LYS A 41 1.836 -12.305 -1.697 1.00 0.00 C ATOM 657 O LYS A 41 0.639 -12.556 -1.723 1.00 0.00 O ATOM 658 CB LYS A 41 1.710 -11.671 0.752 1.00 0.00 C ATOM 659 CG LYS A 41 1.922 -13.148 1.190 1.00 0.00 C ATOM 660 CD LYS A 41 1.232 -13.453 2.547 1.00 0.00 C ATOM 661 CE LYS A 41 1.504 -14.900 3.048 1.00 0.00 C ATOM 662 NZ LYS A 41 1.013 -15.954 2.127 1.00 0.00 N ATOM 0 H LYS A 41 1.070 -9.899 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 41 3.441 -11.533 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.130 -11.003 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.643 -11.456 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.527 -13.814 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.989 -13.353 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.582 -12.742 3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.157 -13.305 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.577 -15.029 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.032 -15.032 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.228 -16.890 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.015 -15.858 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.481 -15.854 1.204 1.00 0.00 H new ATOM 676 N GLN A 42 2.717 -12.804 -2.594 1.00 0.00 N ATOM 677 CA GLN A 42 2.273 -13.790 -3.567 1.00 0.00 C ATOM 678 C GLN A 42 1.907 -15.042 -2.805 1.00 0.00 C ATOM 679 O GLN A 42 2.468 -15.277 -1.747 1.00 0.00 O ATOM 680 CB GLN A 42 3.360 -14.095 -4.633 1.00 0.00 C ATOM 681 CG GLN A 42 2.849 -15.046 -5.751 1.00 0.00 C ATOM 682 CD GLN A 42 3.910 -15.313 -6.788 1.00 0.00 C ATOM 683 OE1 GLN A 42 4.342 -16.447 -6.926 1.00 0.00 O ATOM 684 NE2 GLN A 42 4.351 -14.285 -7.541 1.00 0.00 N ATOM 0 H GLN A 42 3.701 -12.543 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 42 1.415 -13.399 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.696 -13.160 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.225 -14.544 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.529 -15.989 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.975 -14.606 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.969 -13.350 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.066 -14.443 -8.251 1.00 0.00 H new ATOM 693 N ASP A 43 0.959 -15.840 -3.338 1.00 0.00 N ATOM 694 CA ASP A 43 0.504 -17.042 -2.645 1.00 0.00 C ATOM 695 C ASP A 43 0.220 -18.098 -3.692 1.00 0.00 C ATOM 696 O ASP A 43 -0.934 -18.397 -3.954 1.00 0.00 O ATOM 697 CB ASP A 43 -0.727 -16.636 -1.793 1.00 0.00 C ATOM 698 CG ASP A 43 -1.328 -17.832 -1.101 1.00 0.00 C ATOM 699 OD1 ASP A 43 -0.657 -18.388 -0.191 1.00 0.00 O ATOM 700 OD2 ASP A 43 -2.472 -18.224 -1.458 1.00 0.00 O ATOM 0 H ASP A 43 0.504 -15.669 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 43 1.242 -17.469 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.431 -15.894 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.476 -16.167 -2.431 1.00 0.00 H new ATOM 705 N GLY A 44 1.287 -18.660 -4.313 1.00 0.00 N ATOM 706 CA GLY A 44 1.100 -19.609 -5.408 1.00 0.00 C ATOM 707 C GLY A 44 0.932 -18.784 -6.660 1.00 0.00 C ATOM 708 O GLY A 44 1.926 -18.225 -7.098 1.00 0.00 O ATOM 0 H GLY A 44 2.260 -18.470 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.957 -20.277 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.225 -20.235 -5.235 1.00 0.00 H new ATOM 712 N GLN A 45 -0.296 -18.662 -7.223 1.00 0.00 N ATOM 713 CA GLN A 45 -0.538 -17.695 -8.296 1.00 0.00 C ATOM 714 C GLN A 45 -1.660 -16.774 -7.871 1.00 0.00 C ATOM 715 O GLN A 45 -2.495 -16.407 -8.682 1.00 0.00 O ATOM 716 CB GLN A 45 -0.696 -18.366 -9.691 1.00 0.00 C ATOM 717 CG GLN A 45 -1.806 -19.447 -9.780 1.00 0.00 C ATOM 718 CD GLN A 45 -3.213 -18.897 -9.719 1.00 0.00 C ATOM 719 OE1 GLN A 45 -3.535 -18.032 -10.519 1.00 0.00 O ATOM 720 NE2 GLN A 45 -4.082 -19.381 -8.804 1.00 0.00 N ATOM 0 H GLN A 45 -1.111 -19.213 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 45 0.341 -17.069 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.906 -17.591 -10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.255 -18.821 -9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.684 -20.001 -10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.671 -20.159 -8.966 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.783 -20.104 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.037 -19.024 -8.768 1.00 0.00 H new ATOM 729 N ASN A 46 -1.650 -16.381 -6.574 1.00 0.00 N ATOM 730 CA ASN A 46 -2.611 -15.415 -6.047 1.00 0.00 C ATOM 731 C ASN A 46 -1.810 -14.287 -5.444 1.00 0.00 C ATOM 732 O ASN A 46 -0.673 -14.529 -5.075 1.00 0.00 O ATOM 733 CB ASN A 46 -3.555 -16.083 -5.017 1.00 0.00 C ATOM 734 CG ASN A 46 -4.374 -15.051 -4.278 1.00 0.00 C ATOM 735 OD1 ASN A 46 -4.126 -14.826 -3.103 1.00 0.00 O ATOM 736 ND2 ASN A 46 -5.353 -14.400 -4.943 1.00 0.00 N ATOM 0 H ASN A 46 -0.983 -16.725 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.259 -15.029 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.219 -16.781 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.968 -16.664 -4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.913 -13.695 -4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.532 -14.614 -5.924 1.00 0.00 H new ATOM 743 N PHE A 47 -2.362 -13.055 -5.370 1.00 0.00 N ATOM 744 CA PHE A 47 -1.573 -11.902 -4.951 1.00 0.00 C ATOM 745 C PHE A 47 -2.380 -11.086 -3.977 1.00 0.00 C ATOM 746 O PHE A 47 -3.249 -10.347 -4.415 1.00 0.00 O ATOM 747 CB PHE A 47 -1.239 -11.006 -6.173 1.00 0.00 C ATOM 748 CG PHE A 47 -0.278 -11.701 -7.146 1.00 0.00 C ATOM 749 CD1 PHE A 47 -0.692 -12.839 -7.847 1.00 0.00 C ATOM 750 CD2 PHE A 47 1.019 -11.215 -7.354 1.00 0.00 C ATOM 751 CE1 PHE A 47 0.235 -13.586 -8.573 1.00 0.00 C ATOM 752 CE2 PHE A 47 1.877 -11.846 -8.261 1.00 0.00 C ATOM 753 CZ PHE A 47 1.494 -13.053 -8.851 1.00 0.00 C ATOM 0 H PHE A 47 -3.335 -12.847 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.649 -12.255 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.160 -10.746 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.794 -10.073 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.729 -13.139 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.359 -10.346 -6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.021 -14.576 -8.920 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.831 -11.402 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.168 -13.570 -9.518 1.00 0.00 H new ATOM 763 N THR A 48 -2.093 -11.182 -2.659 1.00 0.00 N ATOM 764 CA THR A 48 -2.703 -10.229 -1.740 1.00 0.00 C ATOM 765 C THR A 48 -1.866 -8.985 -1.923 1.00 0.00 C ATOM 766 O THR A 48 -0.848 -8.859 -1.260 1.00 0.00 O ATOM 767 CB THR A 48 -2.677 -10.777 -0.290 1.00 0.00 C ATOM 768 OG1 THR A 48 -3.493 -11.960 -0.258 1.00 0.00 O ATOM 769 CG2 THR A 48 -3.205 -9.724 0.722 1.00 0.00 C ATOM 0 H THR A 48 -1.475 -11.875 -2.236 1.00 0.00 H new ATOM 0 HA THR A 48 -3.757 -10.033 -1.936 1.00 0.00 H new ATOM 0 HB THR A 48 -1.652 -11.008 -0.000 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.495 -12.332 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.174 -10.140 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.580 -8.832 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.232 -9.460 0.470 1.00 0.00 H new ATOM 777 N TRP A 49 -2.266 -8.078 -2.847 1.00 0.00 N ATOM 778 CA TRP A 49 -1.428 -6.922 -3.158 1.00 0.00 C ATOM 779 C TRP A 49 -1.868 -5.790 -2.268 1.00 0.00 C ATOM 780 O TRP A 49 -2.754 -5.047 -2.659 1.00 0.00 O ATOM 781 CB TRP A 49 -1.515 -6.593 -4.671 1.00 0.00 C ATOM 782 CG TRP A 49 -0.393 -5.676 -5.078 1.00 0.00 C ATOM 783 CD1 TRP A 49 -0.137 -4.427 -4.654 1.00 0.00 C ATOM 784 CD2 TRP A 49 0.682 -6.027 -6.076 1.00 0.00 C ATOM 785 NE1 TRP A 49 0.935 -3.974 -5.255 1.00 0.00 N ATOM 786 CE2 TRP A 49 1.447 -4.880 -6.109 1.00 0.00 C ATOM 787 CE3 TRP A 49 0.982 -7.145 -6.849 1.00 0.00 C ATOM 788 CZ2 TRP A 49 2.561 -4.777 -6.941 1.00 0.00 C ATOM 789 CZ3 TRP A 49 2.078 -7.042 -7.714 1.00 0.00 C ATOM 790 CH2 TRP A 49 2.855 -5.873 -7.761 1.00 0.00 C ATOM 0 H TRP A 49 -3.140 -8.131 -3.370 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.374 -7.120 -2.962 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.469 -7.514 -5.252 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.474 -6.124 -4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.724 -3.881 -3.930 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.333 -3.048 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.396 -8.050 -6.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 3.173 -3.887 -6.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.330 -7.874 -8.355 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.693 -5.819 -8.441 1.00 0.00 H new ATOM 801 N SER A 50 -1.272 -5.649 -1.059 1.00 0.00 N ATOM 802 CA SER A 50 -1.743 -4.614 -0.150 1.00 0.00 C ATOM 803 C SER A 50 -1.278 -3.261 -0.621 1.00 0.00 C ATOM 804 O SER A 50 -0.206 -3.178 -1.201 1.00 0.00 O ATOM 805 CB SER A 50 -1.317 -4.826 1.325 1.00 0.00 C ATOM 806 OG SER A 50 -1.597 -6.168 1.752 1.00 0.00 O ATOM 0 H SER A 50 -0.499 -6.219 -0.715 1.00 0.00 H new ATOM 0 HA SER A 50 -2.831 -4.675 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.252 -4.621 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.845 -4.119 1.965 1.00 0.00 H new ATOM 0 HG SER A 50 -1.318 -6.279 2.685 1.00 0.00 H new ATOM 812 N GLN A 51 -2.080 -2.205 -0.358 1.00 0.00 N ATOM 813 CA GLN A 51 -1.668 -0.839 -0.657 1.00 0.00 C ATOM 814 C GLN A 51 -1.896 -0.112 0.638 1.00 0.00 C ATOM 815 O GLN A 51 -2.963 0.441 0.855 1.00 0.00 O ATOM 816 CB GLN A 51 -2.482 -0.293 -1.858 1.00 0.00 C ATOM 817 CG GLN A 51 -2.103 -1.001 -3.186 1.00 0.00 C ATOM 818 CD GLN A 51 -2.848 -0.433 -4.372 1.00 0.00 C ATOM 819 OE1 GLN A 51 -3.596 0.520 -4.222 1.00 0.00 O ATOM 820 NE2 GLN A 51 -2.657 -1.008 -5.581 1.00 0.00 N ATOM 0 H GLN A 51 -3.008 -2.284 0.058 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.631 -0.730 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.546 -0.428 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.309 0.779 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.030 -0.904 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.318 -2.066 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.025 -1.803 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.145 -0.646 -6.401 1.00 0.00 H new ATOM 829 N GLN A 52 -0.879 -0.185 1.524 1.00 0.00 N ATOM 830 CA GLN A 52 -1.122 0.073 2.927 1.00 0.00 C ATOM 831 C GLN A 52 -0.904 1.531 3.238 1.00 0.00 C ATOM 832 O GLN A 52 0.222 1.923 3.505 1.00 0.00 O ATOM 833 CB GLN A 52 -0.182 -0.874 3.726 1.00 0.00 C ATOM 834 CG GLN A 52 -0.549 -0.854 5.217 1.00 0.00 C ATOM 835 CD GLN A 52 0.481 -1.601 6.032 1.00 0.00 C ATOM 836 OE1 GLN A 52 1.220 -0.972 6.775 1.00 0.00 O ATOM 837 NE2 GLN A 52 0.560 -2.944 5.907 1.00 0.00 N ATOM 0 H GLN A 52 0.086 -0.415 1.285 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.155 -0.130 3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.262 -1.890 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.855 -0.564 3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.618 0.176 5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.531 -1.305 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.074 -3.436 5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.253 -3.466 6.443 1.00 0.00 H new ATOM 846 N TYR A 53 -1.982 2.349 3.231 1.00 0.00 N ATOM 847 CA TYR A 53 -1.847 3.724 3.702 1.00 0.00 C ATOM 848 C TYR A 53 -1.330 3.679 5.122 1.00 0.00 C ATOM 849 O TYR A 53 -1.699 2.737 5.808 1.00 0.00 O ATOM 850 CB TYR A 53 -3.208 4.468 3.757 1.00 0.00 C ATOM 851 CG TYR A 53 -3.728 4.772 2.346 1.00 0.00 C ATOM 852 CD1 TYR A 53 -3.193 5.854 1.640 1.00 0.00 C ATOM 853 CD2 TYR A 53 -4.732 3.996 1.757 1.00 0.00 C ATOM 854 CE1 TYR A 53 -3.685 6.194 0.378 1.00 0.00 C ATOM 855 CE2 TYR A 53 -5.218 4.330 0.489 1.00 0.00 C ATOM 856 CZ TYR A 53 -4.693 5.420 -0.210 1.00 0.00 C ATOM 857 OH TYR A 53 -5.186 5.714 -1.484 1.00 0.00 O ATOM 0 H TYR A 53 -2.915 2.084 2.915 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.183 4.245 3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.937 3.860 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.096 5.398 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.391 6.432 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.131 3.140 2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.289 7.053 -0.144 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.007 3.740 0.046 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.881 5.066 -1.724 1.00 0.00 H new ATOM 867 N PRO A 54 -0.516 4.638 5.628 1.00 0.00 N ATOM 868 CA PRO A 54 -0.136 4.586 7.031 1.00 0.00 C ATOM 869 C PRO A 54 -1.352 4.897 7.869 1.00 0.00 C ATOM 870 O PRO A 54 -2.387 5.214 7.304 1.00 0.00 O ATOM 871 CB PRO A 54 0.929 5.709 7.076 1.00 0.00 C ATOM 872 CG PRO A 54 0.450 6.691 5.981 1.00 0.00 C ATOM 873 CD PRO A 54 -0.019 5.757 4.840 1.00 0.00 C ATOM 0 HA PRO A 54 0.238 3.633 7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.971 6.186 8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.928 5.326 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.360 7.327 6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.253 7.352 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.794 6.209 4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.794 5.470 4.173 1.00 0.00 H new ATOM 881 N GLY A 55 -1.250 4.789 9.213 1.00 0.00 N ATOM 882 CA GLY A 55 -2.428 4.947 10.064 1.00 0.00 C ATOM 883 C GLY A 55 -2.975 3.574 10.372 1.00 0.00 C ATOM 884 O GLY A 55 -3.109 3.242 11.539 1.00 0.00 O ATOM 0 H GLY A 55 -0.382 4.598 9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.164 5.467 10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.182 5.553 9.561 1.00 0.00 H new ATOM 888 N GLY A 56 -3.295 2.762 9.336 1.00 0.00 N ATOM 889 CA GLY A 56 -3.784 1.407 9.588 1.00 0.00 C ATOM 890 C GLY A 56 -4.528 0.854 8.395 1.00 0.00 C ATOM 891 O GLY A 56 -4.243 -0.257 7.972 1.00 0.00 O ATOM 0 H GLY A 56 -3.223 3.020 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.944 0.755 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.442 1.413 10.457 1.00 0.00 H new ATOM 895 N HIS A 57 -5.502 1.620 7.852 1.00 0.00 N ATOM 896 CA HIS A 57 -6.311 1.107 6.749 1.00 0.00 C ATOM 897 C HIS A 57 -5.460 0.747 5.552 1.00 0.00 C ATOM 898 O HIS A 57 -4.396 1.323 5.390 1.00 0.00 O ATOM 899 CB HIS A 57 -7.363 2.149 6.282 1.00 0.00 C ATOM 900 CG HIS A 57 -8.214 1.595 5.167 1.00 0.00 C ATOM 901 ND1 HIS A 57 -9.145 0.684 5.357 1.00 0.00 N ATOM 902 CD2 HIS A 57 -8.141 1.935 3.864 1.00 0.00 C ATOM 903 CE1 HIS A 57 -9.705 0.393 4.224 1.00 0.00 C ATOM 904 NE2 HIS A 57 -9.166 1.084 3.326 1.00 0.00 N ATOM 0 H HIS A 57 -5.734 2.566 8.156 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.809 0.217 7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.997 2.432 7.122 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.858 3.054 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.496 2.644 3.367 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.500 -0.323 4.078 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.423 1.046 2.340 1.00 0.00 H new ATOM 913 N SER A 58 -5.942 -0.196 4.706 1.00 0.00 N ATOM 914 CA SER A 58 -5.262 -0.519 3.454 1.00 0.00 C ATOM 915 C SER A 58 -6.289 -0.637 2.357 1.00 0.00 C ATOM 916 O SER A 58 -7.423 -0.944 2.690 1.00 0.00 O ATOM 917 CB SER A 58 -4.508 -1.864 3.603 1.00 0.00 C ATOM 918 OG SER A 58 -5.394 -2.933 3.977 1.00 0.00 O ATOM 0 H SER A 58 -6.791 -0.735 4.876 1.00 0.00 H new ATOM 0 HA SER A 58 -4.547 0.267 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.016 -2.111 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.725 -1.761 4.354 1.00 0.00 H new ATOM 0 HG SER A 58 -4.885 -3.766 4.060 1.00 0.00 H new ATOM 924 N ILE A 59 -5.914 -0.418 1.072 1.00 0.00 N ATOM 925 CA ILE A 59 -6.865 -0.603 -0.030 1.00 0.00 C ATOM 926 C ILE A 59 -6.327 -1.743 -0.857 1.00 0.00 C ATOM 927 O ILE A 59 -5.953 -1.582 -2.007 1.00 0.00 O ATOM 928 CB ILE A 59 -7.187 0.745 -0.755 1.00 0.00 C ATOM 929 CG1 ILE A 59 -8.607 0.757 -1.402 1.00 0.00 C ATOM 930 CG2 ILE A 59 -6.100 1.246 -1.753 1.00 0.00 C ATOM 931 CD1 ILE A 59 -8.832 -0.332 -2.484 1.00 0.00 C ATOM 0 H ILE A 59 -4.981 -0.120 0.787 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.864 -0.893 0.296 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.178 1.474 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.351 0.629 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.780 1.736 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.422 2.186 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.161 1.400 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.955 0.503 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.845 -0.249 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.115 -0.195 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.695 -1.319 -2.041 1.00 0.00 H new ATOM 943 N THR A 60 -6.272 -2.952 -0.253 1.00 0.00 N ATOM 944 CA THR A 60 -5.674 -4.066 -0.977 1.00 0.00 C ATOM 945 C THR A 60 -6.420 -4.332 -2.256 1.00 0.00 C ATOM 946 O THR A 60 -7.570 -3.940 -2.380 1.00 0.00 O ATOM 947 CB THR A 60 -5.539 -5.395 -0.182 1.00 0.00 C ATOM 948 OG1 THR A 60 -4.715 -6.285 -0.961 1.00 0.00 O ATOM 949 CG2 THR A 60 -6.911 -6.067 0.089 1.00 0.00 C ATOM 0 H THR A 60 -6.617 -3.163 0.683 1.00 0.00 H new ATOM 0 HA THR A 60 -4.655 -3.734 -1.174 1.00 0.00 H new ATOM 0 HB THR A 60 -5.096 -5.178 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.609 -7.134 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.760 -6.991 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.539 -5.391 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.400 -6.292 -0.859 1.00 0.00 H new ATOM 957 N ASN A 61 -5.740 -5.017 -3.199 1.00 0.00 N ATOM 958 CA ASN A 61 -6.377 -5.413 -4.448 1.00 0.00 C ATOM 959 C ASN A 61 -6.142 -6.900 -4.507 1.00 0.00 C ATOM 960 O ASN A 61 -5.290 -7.361 -5.249 1.00 0.00 O ATOM 961 CB ASN A 61 -5.734 -4.604 -5.603 1.00 0.00 C ATOM 962 CG ASN A 61 -5.712 -3.135 -5.250 1.00 0.00 C ATOM 963 OD1 ASN A 61 -4.661 -2.651 -4.856 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.833 -2.389 -5.364 1.00 0.00 N ATOM 0 H ASN A 61 -4.764 -5.299 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.445 -5.208 -4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.720 -4.958 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.297 -4.758 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.814 -1.399 -5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.698 -2.816 -5.695 1.00 0.00 H new ATOM 971 N THR A 62 -6.889 -7.668 -3.683 1.00 0.00 N ATOM 972 CA THR A 62 -6.660 -9.107 -3.648 1.00 0.00 C ATOM 973 C THR A 62 -6.976 -9.610 -5.032 1.00 0.00 C ATOM 974 O THR A 62 -8.121 -9.457 -5.429 1.00 0.00 O ATOM 975 CB THR A 62 -7.538 -9.814 -2.579 1.00 0.00 C ATOM 976 OG1 THR A 62 -7.318 -9.226 -1.286 1.00 0.00 O ATOM 977 CG2 THR A 62 -7.271 -11.343 -2.541 1.00 0.00 C ATOM 0 H THR A 62 -7.622 -7.324 -3.063 1.00 0.00 H new ATOM 0 HA THR A 62 -5.630 -9.326 -3.366 1.00 0.00 H new ATOM 0 HB THR A 62 -8.583 -9.672 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.878 -9.679 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.903 -11.804 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.499 -11.776 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.223 -11.524 -2.300 1.00 0.00 H new ATOM 985 N PHE A 63 -5.999 -10.182 -5.777 1.00 0.00 N ATOM 986 CA PHE A 63 -6.293 -10.600 -7.148 1.00 0.00 C ATOM 987 C PHE A 63 -5.618 -11.901 -7.498 1.00 0.00 C ATOM 988 O PHE A 63 -4.684 -12.284 -6.812 1.00 0.00 O ATOM 989 CB PHE A 63 -5.976 -9.469 -8.164 1.00 0.00 C ATOM 990 CG PHE A 63 -4.482 -9.161 -8.373 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.637 -10.097 -8.984 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.946 -7.926 -7.986 1.00 0.00 C ATOM 993 CE1 PHE A 63 -2.277 -9.821 -9.166 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.584 -7.654 -8.144 1.00 0.00 C ATOM 995 CZ PHE A 63 -1.751 -8.598 -8.746 1.00 0.00 C ATOM 0 H PHE A 63 -5.045 -10.354 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.365 -10.789 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.411 -9.738 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.473 -8.558 -7.832 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.040 -11.042 -9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.594 -7.174 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.635 -10.554 -9.631 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.177 -6.714 -7.801 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.702 -8.383 -8.887 1.00 0.00 H new ATOM 1005 N THR A 64 -6.105 -12.569 -8.571 1.00 0.00 N ATOM 1006 CA THR A 64 -5.551 -13.849 -9.001 1.00 0.00 C ATOM 1007 C THR A 64 -5.155 -13.743 -10.453 1.00 0.00 C ATOM 1008 O THR A 64 -5.750 -12.942 -11.157 1.00 0.00 O ATOM 1009 CB THR A 64 -6.636 -14.928 -8.750 1.00 0.00 C ATOM 1010 OG1 THR A 64 -7.045 -14.815 -7.375 1.00 0.00 O ATOM 1011 CG2 THR A 64 -6.125 -16.361 -9.043 1.00 0.00 C ATOM 0 H THR A 64 -6.878 -12.233 -9.145 1.00 0.00 H new ATOM 0 HA THR A 64 -4.655 -14.125 -8.446 1.00 0.00 H new ATOM 0 HB THR A 64 -7.472 -14.759 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.734 -15.485 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.923 -17.078 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.817 -16.431 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.275 -16.583 -8.398 1.00 0.00 H new ATOM 1019 N ILE A 65 -4.152 -14.519 -10.924 1.00 0.00 N ATOM 1020 CA ILE A 65 -3.731 -14.368 -12.316 1.00 0.00 C ATOM 1021 C ILE A 65 -4.834 -14.834 -13.239 1.00 0.00 C ATOM 1022 O ILE A 65 -5.489 -15.811 -12.913 1.00 0.00 O ATOM 1023 CB ILE A 65 -2.403 -15.118 -12.644 1.00 0.00 C ATOM 1024 CG1 ILE A 65 -1.217 -14.641 -11.749 1.00 0.00 C ATOM 1025 CG2 ILE A 65 -2.044 -15.025 -14.155 1.00 0.00 C ATOM 1026 CD1 ILE A 65 -0.977 -13.107 -11.735 1.00 0.00 C ATOM 0 H ILE A 65 -3.646 -15.221 -10.383 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.533 -13.307 -12.472 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.576 -16.169 -12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.397 -14.974 -10.727 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.305 -15.133 -12.089 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.113 -15.560 -14.341 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.843 -15.471 -14.747 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.924 -13.979 -14.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.133 -12.877 -11.085 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.761 -12.763 -12.747 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.869 -12.603 -11.363 1.00 0.00 H new ATOM 1038 N GLY A 66 -5.038 -14.159 -14.397 1.00 0.00 N ATOM 1039 CA GLY A 66 -5.991 -14.657 -15.385 1.00 0.00 C ATOM 1040 C GLY A 66 -7.382 -14.812 -14.825 1.00 0.00 C ATOM 1041 O GLY A 66 -8.018 -15.812 -15.120 1.00 0.00 O ATOM 0 H GLY A 66 -4.564 -13.293 -14.654 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.019 -13.973 -16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.647 -15.620 -15.763 1.00 0.00 H new ATOM 1045 N LYS A 67 -7.868 -13.824 -14.039 1.00 0.00 N ATOM 1046 CA LYS A 67 -9.232 -13.852 -13.525 1.00 0.00 C ATOM 1047 C LYS A 67 -9.888 -12.534 -13.873 1.00 0.00 C ATOM 1048 O LYS A 67 -9.168 -11.563 -14.039 1.00 0.00 O ATOM 1049 CB LYS A 67 -9.136 -14.067 -11.989 1.00 0.00 C ATOM 1050 CG LYS A 67 -10.493 -13.819 -11.285 1.00 0.00 C ATOM 1051 CD LYS A 67 -10.415 -14.040 -9.752 1.00 0.00 C ATOM 1052 CE LYS A 67 -11.810 -13.932 -9.077 1.00 0.00 C ATOM 1053 NZ LYS A 67 -12.419 -12.583 -9.137 1.00 0.00 N ATOM 0 H LYS A 67 -7.329 -13.006 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.832 -14.653 -13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.802 -15.084 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.384 -13.395 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.822 -12.799 -11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.245 -14.485 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.989 -15.022 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.742 -13.303 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.486 -14.643 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.718 -14.229 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.345 -12.599 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.798 -11.900 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.542 -12.301 -10.131 1.00 0.00 H new ATOM 1067 N GLU A 68 -11.240 -12.468 -13.970 1.00 0.00 N ATOM 1068 CA GLU A 68 -11.910 -11.175 -14.101 1.00 0.00 C ATOM 1069 C GLU A 68 -11.814 -10.556 -12.723 1.00 0.00 C ATOM 1070 O GLU A 68 -12.760 -10.607 -11.953 1.00 0.00 O ATOM 1071 CB GLU A 68 -13.382 -11.327 -14.579 1.00 0.00 C ATOM 1072 CG GLU A 68 -13.475 -11.994 -15.977 1.00 0.00 C ATOM 1073 CD GLU A 68 -12.723 -11.198 -17.013 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -13.276 -10.171 -17.492 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -11.573 -11.588 -17.354 1.00 0.00 O ATOM 0 H GLU A 68 -11.862 -13.277 -13.959 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.444 -10.547 -14.860 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.938 -11.923 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.855 -10.345 -14.614 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.071 -13.005 -15.928 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.521 -12.083 -16.271 1.00 0.00 H new ATOM 1082 N CYS A 69 -10.629 -9.996 -12.394 1.00 0.00 N ATOM 1083 CA CYS A 69 -10.359 -9.577 -11.024 1.00 0.00 C ATOM 1084 C CYS A 69 -11.122 -8.331 -10.665 1.00 0.00 C ATOM 1085 O CYS A 69 -11.193 -7.446 -11.501 1.00 0.00 O ATOM 1086 CB CYS A 69 -8.861 -9.242 -10.818 1.00 0.00 C ATOM 1087 SG CYS A 69 -7.866 -10.677 -11.319 1.00 0.00 S ATOM 0 H CYS A 69 -9.867 -9.831 -13.051 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.663 -10.414 -10.396 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.585 -8.367 -11.407 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.669 -8.996 -9.774 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.273 -11.104 -12.478 1.00 0.00 H new ATOM 1092 N ASP A 70 -11.664 -8.231 -9.429 1.00 0.00 N ATOM 1093 CA ASP A 70 -12.243 -6.966 -8.996 1.00 0.00 C ATOM 1094 C ASP A 70 -11.096 -6.125 -8.488 1.00 0.00 C ATOM 1095 O ASP A 70 -10.301 -6.655 -7.728 1.00 0.00 O ATOM 1096 CB ASP A 70 -13.313 -7.155 -7.890 1.00 0.00 C ATOM 1097 CG ASP A 70 -12.701 -7.714 -6.630 1.00 0.00 C ATOM 1098 OD1 ASP A 70 -12.404 -8.939 -6.608 1.00 0.00 O ATOM 1099 OD2 ASP A 70 -12.505 -6.935 -5.657 1.00 0.00 O ATOM 0 H ASP A 70 -11.707 -8.988 -8.746 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.759 -6.487 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.789 -6.199 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.094 -7.826 -8.247 1.00 0.00 H new ATOM 1104 N ILE A 71 -10.986 -4.838 -8.892 1.00 0.00 N ATOM 1105 CA ILE A 71 -9.915 -3.974 -8.396 1.00 0.00 C ATOM 1106 C ILE A 71 -10.614 -2.849 -7.677 1.00 0.00 C ATOM 1107 O ILE A 71 -10.808 -1.783 -8.240 1.00 0.00 O ATOM 1108 CB ILE A 71 -9.020 -3.474 -9.563 1.00 0.00 C ATOM 1109 CG1 ILE A 71 -8.464 -4.651 -10.417 1.00 0.00 C ATOM 1110 CG2 ILE A 71 -7.888 -2.530 -9.064 1.00 0.00 C ATOM 1111 CD1 ILE A 71 -7.437 -5.557 -9.690 1.00 0.00 C ATOM 0 H ILE A 71 -11.622 -4.389 -9.551 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.235 -4.498 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.658 -2.883 -10.220 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.300 -5.267 -10.748 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.996 -4.242 -11.312 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.286 -2.204 -9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.328 -1.661 -8.576 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.256 -3.064 -8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.107 -6.347 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.578 -4.960 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.903 -6.001 -8.810 1.00 0.00 H new ATOM 1123 N GLU A 72 -11.010 -3.096 -6.411 1.00 0.00 N ATOM 1124 CA GLU A 72 -11.648 -2.039 -5.634 1.00 0.00 C ATOM 1125 C GLU A 72 -10.676 -0.902 -5.512 1.00 0.00 C ATOM 1126 O GLU A 72 -9.483 -1.163 -5.509 1.00 0.00 O ATOM 1127 CB GLU A 72 -12.110 -2.563 -4.247 1.00 0.00 C ATOM 1128 CG GLU A 72 -12.896 -1.518 -3.415 1.00 0.00 C ATOM 1129 CD GLU A 72 -13.342 -2.143 -2.117 1.00 0.00 C ATOM 1130 OE1 GLU A 72 -14.302 -2.961 -2.152 1.00 0.00 O ATOM 1131 OE2 GLU A 72 -12.738 -1.829 -1.055 1.00 0.00 O ATOM 0 H GLU A 72 -10.901 -3.988 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.549 -1.691 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.736 -3.444 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.236 -2.882 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.269 -0.649 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.761 -1.165 -3.977 1.00 0.00 H new ATOM 1138 N THR A 73 -11.184 0.352 -5.443 1.00 0.00 N ATOM 1139 CA THR A 73 -10.303 1.507 -5.496 1.00 0.00 C ATOM 1140 C THR A 73 -10.666 2.475 -4.399 1.00 0.00 C ATOM 1141 O THR A 73 -11.831 2.553 -4.039 1.00 0.00 O ATOM 1142 CB THR A 73 -10.488 2.173 -6.885 1.00 0.00 C ATOM 1143 OG1 THR A 73 -10.563 1.150 -7.892 1.00 0.00 O ATOM 1144 CG2 THR A 73 -9.365 3.197 -7.203 1.00 0.00 C ATOM 0 H THR A 73 -12.176 0.571 -5.353 1.00 0.00 H new ATOM 0 HA THR A 73 -9.264 1.209 -5.355 1.00 0.00 H new ATOM 0 HB THR A 73 -11.419 2.740 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.583 1.565 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.540 3.635 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.366 3.984 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.399 2.691 -7.198 1.00 0.00 H new ATOM 1152 N ILE A 74 -9.672 3.222 -3.873 1.00 0.00 N ATOM 1153 CA ILE A 74 -9.966 4.251 -2.875 1.00 0.00 C ATOM 1154 C ILE A 74 -10.902 5.258 -3.503 1.00 0.00 C ATOM 1155 O ILE A 74 -10.898 5.374 -4.719 1.00 0.00 O ATOM 1156 CB ILE A 74 -8.666 4.953 -2.361 1.00 0.00 C ATOM 1157 CG1 ILE A 74 -8.817 5.715 -1.006 1.00 0.00 C ATOM 1158 CG2 ILE A 74 -8.102 5.921 -3.445 1.00 0.00 C ATOM 1159 CD1 ILE A 74 -9.246 4.817 0.187 1.00 0.00 C ATOM 0 H ILE A 74 -8.687 3.130 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.432 3.786 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.968 4.139 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.868 6.193 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.552 6.511 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.198 6.400 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.866 5.358 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.847 6.682 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -9.328 5.424 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -10.211 4.359 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.501 4.037 0.341 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.709 6.003 -2.715 1.00 0.00 N ATOM 1172 CA GLY A 75 -12.566 7.016 -3.324 1.00 0.00 C ATOM 1173 C GLY A 75 -13.637 6.353 -4.154 1.00 0.00 C ATOM 1174 O GLY A 75 -13.875 6.780 -5.273 1.00 0.00 O ATOM 0 H GLY A 75 -11.778 5.921 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.023 7.631 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.970 7.681 -3.949 1.00 0.00 H new ATOM 1178 N GLY A 76 -14.305 5.312 -3.605 1.00 0.00 N ATOM 1179 CA GLY A 76 -15.408 4.690 -4.324 1.00 0.00 C ATOM 1180 C GLY A 76 -14.948 3.984 -5.576 1.00 0.00 C ATOM 1181 O GLY A 76 -13.752 3.845 -5.778 1.00 0.00 O ATOM 0 H GLY A 76 -14.098 4.905 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.909 3.976 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.143 5.451 -4.587 1.00 0.00 H new ATOM 1185 N LYS A 77 -15.936 3.548 -6.394 1.00 0.00 N ATOM 1186 CA LYS A 77 -15.696 2.892 -7.685 1.00 0.00 C ATOM 1187 C LYS A 77 -14.781 1.683 -7.656 1.00 0.00 C ATOM 1188 O LYS A 77 -13.951 1.555 -6.770 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.342 3.903 -8.818 1.00 0.00 C ATOM 1190 CG LYS A 77 -13.901 4.488 -8.756 1.00 0.00 C ATOM 1191 CD LYS A 77 -13.543 5.364 -9.993 1.00 0.00 C ATOM 1192 CE LYS A 77 -14.224 6.762 -9.989 1.00 0.00 C ATOM 1193 NZ LYS A 77 -13.906 7.524 -11.221 1.00 0.00 N ATOM 0 H LYS A 77 -16.926 3.646 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.665 2.459 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.475 3.408 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.054 4.728 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.797 5.088 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.186 3.669 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.462 5.497 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.832 4.832 -10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.304 6.642 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.895 7.326 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.376 8.451 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.877 7.659 -11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.242 6.997 -12.052 1.00 0.00 H new ATOM 1207 N LYS A 78 -14.934 0.771 -8.648 1.00 0.00 N ATOM 1208 CA LYS A 78 -14.070 -0.404 -8.759 1.00 0.00 C ATOM 1209 C LYS A 78 -13.751 -0.601 -10.219 1.00 0.00 C ATOM 1210 O LYS A 78 -14.373 0.061 -11.035 1.00 0.00 O ATOM 1211 CB LYS A 78 -14.791 -1.691 -8.268 1.00 0.00 C ATOM 1212 CG LYS A 78 -15.470 -1.509 -6.885 1.00 0.00 C ATOM 1213 CD LYS A 78 -15.792 -2.871 -6.206 1.00 0.00 C ATOM 1214 CE LYS A 78 -16.723 -3.780 -7.057 1.00 0.00 C ATOM 1215 NZ LYS A 78 -17.125 -4.993 -6.308 1.00 0.00 N ATOM 0 H LYS A 78 -15.648 0.837 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.181 -0.240 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.543 -1.983 -9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.070 -2.506 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.817 -0.926 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.391 -0.938 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.860 -3.400 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.262 -2.685 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.611 -3.221 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.211 -4.070 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.745 -5.579 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.278 -5.538 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.634 -4.715 -5.445 1.00 0.00 H new ATOM 1229 N PHE A 79 -12.816 -1.518 -10.553 1.00 0.00 N ATOM 1230 CA PHE A 79 -12.594 -1.873 -11.957 1.00 0.00 C ATOM 1231 C PHE A 79 -12.648 -3.376 -12.095 1.00 0.00 C ATOM 1232 O PHE A 79 -11.688 -4.023 -11.706 1.00 0.00 O ATOM 1233 CB PHE A 79 -11.249 -1.313 -12.496 1.00 0.00 C ATOM 1234 CG PHE A 79 -11.004 0.086 -11.924 1.00 0.00 C ATOM 1235 CD1 PHE A 79 -11.850 1.142 -12.280 1.00 0.00 C ATOM 1236 CD2 PHE A 79 -9.939 0.320 -11.047 1.00 0.00 C ATOM 1237 CE1 PHE A 79 -11.641 2.418 -11.753 1.00 0.00 C ATOM 1238 CE2 PHE A 79 -9.711 1.601 -10.540 1.00 0.00 C ATOM 1239 CZ PHE A 79 -10.576 2.644 -10.878 1.00 0.00 C ATOM 0 H PHE A 79 -12.222 -2.009 -9.885 1.00 0.00 H new ATOM 0 HA PHE A 79 -13.380 -1.418 -12.560 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.431 -1.978 -12.219 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.272 -1.272 -13.585 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.667 0.970 -12.965 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.290 -0.494 -10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.302 3.229 -12.022 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.869 1.784 -9.889 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.421 3.628 -10.462 1.00 0.00 H new ATOM 1249 N LYS A 80 -13.736 -3.967 -12.648 1.00 0.00 N ATOM 1250 CA LYS A 80 -13.671 -5.389 -12.963 1.00 0.00 C ATOM 1251 C LYS A 80 -12.676 -5.463 -14.096 1.00 0.00 C ATOM 1252 O LYS A 80 -12.866 -4.740 -15.062 1.00 0.00 O ATOM 1253 CB LYS A 80 -15.021 -6.056 -13.335 1.00 0.00 C ATOM 1254 CG LYS A 80 -16.061 -5.919 -12.186 1.00 0.00 C ATOM 1255 CD LYS A 80 -17.225 -6.945 -12.295 1.00 0.00 C ATOM 1256 CE LYS A 80 -17.980 -6.884 -13.650 1.00 0.00 C ATOM 1257 NZ LYS A 80 -19.148 -7.795 -13.653 1.00 0.00 N ATOM 0 H LYS A 80 -14.616 -3.501 -12.870 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.379 -5.956 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.417 -5.598 -14.242 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.858 -7.111 -13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.556 -6.051 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.472 -4.909 -12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.827 -7.950 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.933 -6.767 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.311 -5.863 -13.839 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.302 -7.154 -14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.634 -7.734 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.827 -8.772 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.805 -7.520 -12.895 1.00 0.00 H new ATOM 1271 N ALA A 81 -11.601 -6.275 -13.982 1.00 0.00 N ATOM 1272 CA ALA A 81 -10.487 -6.153 -14.918 1.00 0.00 C ATOM 1273 C ALA A 81 -9.783 -7.474 -15.101 1.00 0.00 C ATOM 1274 O ALA A 81 -9.937 -8.330 -14.248 1.00 0.00 O ATOM 1275 CB ALA A 81 -9.502 -5.128 -14.303 1.00 0.00 C ATOM 0 H ALA A 81 -11.492 -6.997 -13.270 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.849 -5.835 -15.896 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.648 -5.001 -14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.007 -4.171 -14.173 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.157 -5.490 -13.334 1.00 0.00 H new ATOM 1281 N THR A 82 -9.015 -7.646 -16.203 1.00 0.00 N ATOM 1282 CA THR A 82 -8.327 -8.913 -16.447 1.00 0.00 C ATOM 1283 C THR A 82 -6.879 -8.754 -16.049 1.00 0.00 C ATOM 1284 O THR A 82 -6.190 -7.987 -16.702 1.00 0.00 O ATOM 1285 CB THR A 82 -8.441 -9.317 -17.945 1.00 0.00 C ATOM 1286 OG1 THR A 82 -9.819 -9.555 -18.285 1.00 0.00 O ATOM 1287 CG2 THR A 82 -7.645 -10.616 -18.241 1.00 0.00 C ATOM 0 H THR A 82 -8.865 -6.933 -16.917 1.00 0.00 H new ATOM 0 HA THR A 82 -8.788 -9.704 -15.856 1.00 0.00 H new ATOM 0 HB THR A 82 -8.031 -8.498 -18.536 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.146 -10.338 -17.795 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.745 -10.871 -19.296 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.593 -10.460 -18.003 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.038 -11.430 -17.632 1.00 0.00 H new ATOM 1295 N VAL A 83 -6.401 -9.468 -15.001 1.00 0.00 N ATOM 1296 CA VAL A 83 -4.983 -9.407 -14.649 1.00 0.00 C ATOM 1297 C VAL A 83 -4.216 -10.314 -15.581 1.00 0.00 C ATOM 1298 O VAL A 83 -4.788 -11.262 -16.097 1.00 0.00 O ATOM 1299 CB VAL A 83 -4.746 -9.851 -13.170 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -3.263 -10.156 -12.833 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -5.237 -8.773 -12.168 1.00 0.00 C ATOM 0 H VAL A 83 -6.967 -10.073 -14.406 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.639 -8.378 -14.748 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.320 -10.772 -13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.182 -10.457 -11.789 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.903 -10.962 -13.472 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.661 -9.263 -13.001 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.057 -9.115 -11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.695 -7.843 -12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.304 -8.603 -12.310 1.00 0.00 H new ATOM 1311 N GLN A 84 -2.914 -10.016 -15.798 1.00 0.00 N ATOM 1312 CA GLN A 84 -2.116 -10.774 -16.756 1.00 0.00 C ATOM 1313 C GLN A 84 -0.654 -10.614 -16.387 1.00 0.00 C ATOM 1314 O GLN A 84 -0.189 -9.493 -16.515 1.00 0.00 O ATOM 1315 CB GLN A 84 -2.471 -10.128 -18.124 1.00 0.00 C ATOM 1316 CG GLN A 84 -1.422 -10.381 -19.233 1.00 0.00 C ATOM 1317 CD GLN A 84 -1.142 -11.851 -19.436 1.00 0.00 C ATOM 1318 OE1 GLN A 84 -0.363 -12.406 -18.677 1.00 0.00 O ATOM 1319 NE2 GLN A 84 -1.750 -12.516 -20.443 1.00 0.00 N ATOM 0 H GLN A 84 -2.411 -9.266 -15.325 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.311 -11.846 -16.776 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.435 -10.513 -18.456 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.587 -9.053 -17.987 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.775 -9.949 -20.169 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.495 -9.869 -18.976 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.396 -12.025 -21.061 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.563 -13.509 -20.585 1.00 0.00 H new ATOM 1328 N MET A 85 0.068 -11.678 -15.938 1.00 0.00 N ATOM 1329 CA MET A 85 1.490 -11.544 -15.600 1.00 0.00 C ATOM 1330 C MET A 85 2.348 -12.237 -16.627 1.00 0.00 C ATOM 1331 O MET A 85 1.889 -13.220 -17.185 1.00 0.00 O ATOM 1332 CB MET A 85 1.836 -11.964 -14.142 1.00 0.00 C ATOM 1333 CG MET A 85 1.897 -13.496 -13.907 1.00 0.00 C ATOM 1334 SD MET A 85 3.335 -14.293 -14.709 1.00 0.00 S ATOM 1335 CE MET A 85 4.765 -13.561 -13.846 1.00 0.00 C ATOM 0 H MET A 85 -0.313 -12.615 -15.808 1.00 0.00 H new ATOM 0 HA MET A 85 1.720 -10.479 -15.633 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.799 -11.530 -13.872 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.093 -11.536 -13.469 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.933 -13.691 -12.835 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.981 -13.951 -14.283 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.667 -14.120 -14.097 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.884 -12.522 -14.155 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.601 -13.603 -12.769 1.00 0.00 H new ATOM 1345 N GLU A 86 3.577 -11.724 -16.890 1.00 0.00 N ATOM 1346 CA GLU A 86 4.404 -12.273 -17.962 1.00 0.00 C ATOM 1347 C GLU A 86 5.864 -12.096 -17.596 1.00 0.00 C ATOM 1348 O GLU A 86 6.331 -10.967 -17.616 1.00 0.00 O ATOM 1349 CB GLU A 86 4.089 -11.525 -19.291 1.00 0.00 C ATOM 1350 CG GLU A 86 2.593 -11.613 -19.694 1.00 0.00 C ATOM 1351 CD GLU A 86 2.354 -11.034 -21.065 1.00 0.00 C ATOM 1352 OE1 GLU A 86 2.673 -9.831 -21.266 1.00 0.00 O ATOM 1353 OE2 GLU A 86 1.845 -11.770 -21.954 1.00 0.00 O ATOM 0 H GLU A 86 3.998 -10.948 -16.379 1.00 0.00 H new ATOM 0 HA GLU A 86 4.191 -13.334 -18.095 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.371 -10.477 -19.188 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.701 -11.943 -20.091 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.271 -12.654 -19.677 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.986 -11.080 -18.962 1.00 0.00 H new ATOM 1360 N GLY A 87 6.612 -13.174 -17.256 1.00 0.00 N ATOM 1361 CA GLY A 87 8.031 -13.010 -16.943 1.00 0.00 C ATOM 1362 C GLY A 87 8.176 -12.388 -15.575 1.00 0.00 C ATOM 1363 O GLY A 87 7.981 -13.102 -14.605 1.00 0.00 O ATOM 0 H GLY A 87 6.262 -14.130 -17.196 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.534 -13.976 -16.970 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.509 -12.380 -17.693 1.00 0.00 H new ATOM 1367 N GLY A 88 8.505 -11.077 -15.473 1.00 0.00 N ATOM 1368 CA GLY A 88 8.637 -10.429 -14.169 1.00 0.00 C ATOM 1369 C GLY A 88 7.874 -9.128 -14.185 1.00 0.00 C ATOM 1370 O GLY A 88 8.402 -8.110 -13.765 1.00 0.00 O ATOM 0 H GLY A 88 8.679 -10.466 -16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.252 -11.081 -13.385 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.688 -10.246 -13.945 1.00 0.00 H new ATOM 1374 N LYS A 89 6.615 -9.177 -14.678 1.00 0.00 N ATOM 1375 CA LYS A 89 5.790 -7.976 -14.777 1.00 0.00 C ATOM 1376 C LYS A 89 4.362 -8.342 -14.476 1.00 0.00 C ATOM 1377 O LYS A 89 4.053 -9.519 -14.574 1.00 0.00 O ATOM 1378 CB LYS A 89 5.817 -7.443 -16.234 1.00 0.00 C ATOM 1379 CG LYS A 89 7.243 -7.025 -16.677 1.00 0.00 C ATOM 1380 CD LYS A 89 7.213 -6.383 -18.089 1.00 0.00 C ATOM 1381 CE LYS A 89 8.640 -6.018 -18.583 1.00 0.00 C ATOM 1382 NZ LYS A 89 8.596 -5.338 -19.899 1.00 0.00 N ATOM 0 H LYS A 89 6.163 -10.030 -15.007 1.00 0.00 H new ATOM 0 HA LYS A 89 6.170 -7.228 -14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.440 -8.212 -16.908 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.146 -6.588 -16.319 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.659 -6.318 -15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.898 -7.897 -16.682 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.749 -7.074 -18.793 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.594 -5.486 -18.068 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.126 -5.371 -17.853 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.244 -6.922 -18.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.563 -5.107 -20.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.154 -5.966 -20.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.040 -4.463 -19.819 1.00 0.00 H new ATOM 1396 N VAL A 90 3.487 -7.360 -14.153 1.00 0.00 N ATOM 1397 CA VAL A 90 2.054 -7.640 -14.156 1.00 0.00 C ATOM 1398 C VAL A 90 1.301 -6.501 -14.799 1.00 0.00 C ATOM 1399 O VAL A 90 1.546 -5.366 -14.424 1.00 0.00 O ATOM 1400 CB VAL A 90 1.425 -8.119 -12.815 1.00 0.00 C ATOM 1401 CG1 VAL A 90 1.417 -7.025 -11.717 1.00 0.00 C ATOM 1402 CG2 VAL A 90 -0.038 -8.592 -13.032 1.00 0.00 C ATOM 0 H VAL A 90 3.746 -6.407 -13.898 1.00 0.00 H new ATOM 0 HA VAL A 90 1.944 -8.535 -14.769 1.00 0.00 H new ATOM 0 HB VAL A 90 2.055 -8.941 -12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.965 -7.424 -10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.440 -6.713 -11.507 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.840 -6.167 -12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.458 -8.922 -12.082 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.633 -7.767 -13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.052 -9.419 -13.742 1.00 0.00 H new ATOM 1412 N VAL A 91 0.397 -6.797 -15.766 1.00 0.00 N ATOM 1413 CA VAL A 91 -0.466 -5.777 -16.347 1.00 0.00 C ATOM 1414 C VAL A 91 -1.842 -6.091 -15.830 1.00 0.00 C ATOM 1415 O VAL A 91 -2.144 -7.259 -15.642 1.00 0.00 O ATOM 1416 CB VAL A 91 -0.482 -5.864 -17.905 1.00 0.00 C ATOM 1417 CG1 VAL A 91 -1.723 -5.171 -18.540 1.00 0.00 C ATOM 1418 CG2 VAL A 91 0.822 -5.257 -18.487 1.00 0.00 C ATOM 0 H VAL A 91 0.259 -7.733 -16.148 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.121 -4.778 -16.082 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.545 -6.922 -18.160 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.677 -5.265 -19.625 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.633 -5.646 -18.173 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.730 -4.116 -18.268 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.800 -5.323 -19.575 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.902 -4.212 -18.188 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.682 -5.809 -18.107 1.00 0.00 H new ATOM 1428 N VAL A 92 -2.691 -5.060 -15.638 1.00 0.00 N ATOM 1429 CA VAL A 92 -4.104 -5.315 -15.408 1.00 0.00 C ATOM 1430 C VAL A 92 -4.863 -4.258 -16.160 1.00 0.00 C ATOM 1431 O VAL A 92 -4.336 -3.167 -16.307 1.00 0.00 O ATOM 1432 CB VAL A 92 -4.444 -5.402 -13.899 1.00 0.00 C ATOM 1433 CG1 VAL A 92 -4.020 -4.128 -13.132 1.00 0.00 C ATOM 1434 CG2 VAL A 92 -5.958 -5.658 -13.668 1.00 0.00 C ATOM 0 H VAL A 92 -2.422 -4.076 -15.639 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.399 -6.295 -15.784 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.875 -6.247 -13.510 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.278 -4.235 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.944 -3.986 -13.229 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.539 -3.264 -13.547 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.159 -5.713 -12.598 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.536 -4.843 -14.104 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.244 -6.598 -14.140 1.00 0.00 H new ATOM 1444 N ASN A 93 -6.071 -4.565 -16.680 1.00 0.00 N ATOM 1445 CA ASN A 93 -6.692 -3.612 -17.596 1.00 0.00 C ATOM 1446 C ASN A 93 -8.193 -3.740 -17.663 1.00 0.00 C ATOM 1447 O ASN A 93 -8.687 -4.846 -17.510 1.00 0.00 O ATOM 1448 CB ASN A 93 -6.109 -3.874 -19.009 1.00 0.00 C ATOM 1449 CG ASN A 93 -6.347 -5.281 -19.504 1.00 0.00 C ATOM 1450 OD1 ASN A 93 -6.701 -6.150 -18.722 1.00 0.00 O ATOM 1451 ND2 ASN A 93 -6.145 -5.544 -20.814 1.00 0.00 N ATOM 0 H ASN A 93 -6.602 -5.415 -16.491 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.477 -2.607 -17.232 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.551 -3.169 -19.713 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.037 -3.679 -18.994 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.288 -6.488 -21.173 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.849 -4.798 -21.444 1.00 0.00 H new ATOM 1458 N SER A 94 -8.919 -2.622 -17.913 1.00 0.00 N ATOM 1459 CA SER A 94 -10.370 -2.698 -18.104 1.00 0.00 C ATOM 1460 C SER A 94 -10.729 -1.807 -19.275 1.00 0.00 C ATOM 1461 O SER A 94 -9.807 -1.191 -19.787 1.00 0.00 O ATOM 1462 CB SER A 94 -11.051 -2.271 -16.778 1.00 0.00 C ATOM 1463 OG SER A 94 -11.172 -0.840 -16.747 1.00 0.00 O ATOM 0 H SER A 94 -8.526 -1.683 -17.984 1.00 0.00 H new ATOM 0 HA SER A 94 -10.715 -3.705 -18.338 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.035 -2.733 -16.696 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.465 -2.617 -15.927 1.00 0.00 H new ATOM 0 HG SER A 94 -10.286 -0.434 -16.848 1.00 0.00 H new ATOM 1469 N PRO A 95 -11.990 -1.679 -19.763 1.00 0.00 N ATOM 1470 CA PRO A 95 -12.237 -0.813 -20.908 1.00 0.00 C ATOM 1471 C PRO A 95 -11.690 0.589 -20.756 1.00 0.00 C ATOM 1472 O PRO A 95 -11.193 1.118 -21.737 1.00 0.00 O ATOM 1473 CB PRO A 95 -13.784 -0.832 -20.942 1.00 0.00 C ATOM 1474 CG PRO A 95 -14.130 -2.229 -20.377 1.00 0.00 C ATOM 1475 CD PRO A 95 -13.135 -2.385 -19.205 1.00 0.00 C ATOM 0 HA PRO A 95 -11.743 -1.150 -21.819 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.210 -0.034 -20.334 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.167 -0.700 -21.954 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.165 -2.283 -20.038 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.999 -3.011 -21.125 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.499 -1.930 -18.284 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.914 -3.428 -18.980 1.00 0.00 H new ATOM 1483 N ASN A 96 -11.784 1.194 -19.546 1.00 0.00 N ATOM 1484 CA ASN A 96 -11.361 2.585 -19.353 1.00 0.00 C ATOM 1485 C ASN A 96 -10.240 2.703 -18.339 1.00 0.00 C ATOM 1486 O ASN A 96 -9.192 3.226 -18.684 1.00 0.00 O ATOM 1487 CB ASN A 96 -12.591 3.424 -18.916 1.00 0.00 C ATOM 1488 CG ASN A 96 -12.241 4.891 -18.849 1.00 0.00 C ATOM 1489 OD1 ASN A 96 -11.986 5.392 -17.764 1.00 0.00 O ATOM 1490 ND2 ASN A 96 -12.213 5.603 -19.997 1.00 0.00 N ATOM 0 H ASN A 96 -12.145 0.741 -18.707 1.00 0.00 H new ATOM 0 HA ASN A 96 -10.968 2.965 -20.296 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -13.409 3.272 -19.620 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -12.942 3.084 -17.942 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.973 6.594 -19.977 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.432 5.149 -20.884 1.00 0.00 H new ATOM 1497 N TYR A 97 -10.428 2.234 -17.082 1.00 0.00 N ATOM 1498 CA TYR A 97 -9.364 2.346 -16.083 1.00 0.00 C ATOM 1499 C TYR A 97 -8.280 1.356 -16.416 1.00 0.00 C ATOM 1500 O TYR A 97 -8.562 0.380 -17.095 1.00 0.00 O ATOM 1501 CB TYR A 97 -9.895 2.076 -14.648 1.00 0.00 C ATOM 1502 CG TYR A 97 -8.758 1.949 -13.623 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -8.135 0.713 -13.418 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -8.336 3.057 -12.882 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -7.130 0.579 -12.457 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -7.304 2.933 -11.948 1.00 0.00 C ATOM 1507 CZ TYR A 97 -6.730 1.681 -11.697 1.00 0.00 C ATOM 1508 OH TYR A 97 -5.772 1.509 -10.694 1.00 0.00 O ATOM 0 H TYR A 97 -11.284 1.789 -16.752 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.973 3.363 -16.105 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.561 2.886 -14.351 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.486 1.160 -14.648 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.433 -0.142 -14.006 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.811 4.015 -13.032 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.660 -0.381 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -6.949 3.805 -11.419 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.599 2.368 -10.256 1.00 0.00 H new ATOM 1518 N HIS A 98 -7.037 1.599 -15.939 1.00 0.00 N ATOM 1519 CA HIS A 98 -5.946 0.677 -16.236 1.00 0.00 C ATOM 1520 C HIS A 98 -4.902 0.731 -15.148 1.00 0.00 C ATOM 1521 O HIS A 98 -4.788 1.765 -14.509 1.00 0.00 O ATOM 1522 CB HIS A 98 -5.322 1.136 -17.577 1.00 0.00 C ATOM 1523 CG HIS A 98 -4.501 0.084 -18.271 1.00 0.00 C ATOM 1524 ND1 HIS A 98 -4.870 -0.611 -19.326 1.00 0.00 N ATOM 1525 CD2 HIS A 98 -3.257 -0.257 -17.891 1.00 0.00 C ATOM 1526 CE1 HIS A 98 -3.905 -1.403 -19.681 1.00 0.00 C ATOM 1527 NE2 HIS A 98 -2.947 -1.245 -18.887 1.00 0.00 N ATOM 0 H HIS A 98 -6.781 2.403 -15.366 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.315 -0.347 -16.298 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.121 1.456 -18.245 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.694 2.007 -17.392 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.659 0.109 -17.069 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.924 -2.084 -20.519 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -2.063 -1.752 -18.941 1.00 0.00 H new ATOM 1536 N HIS A 99 -4.125 -0.357 -14.941 1.00 0.00 N ATOM 1537 CA HIS A 99 -3.004 -0.285 -14.005 1.00 0.00 C ATOM 1538 C HIS A 99 -1.976 -1.338 -14.327 1.00 0.00 C ATOM 1539 O HIS A 99 -2.343 -2.355 -14.889 1.00 0.00 O ATOM 1540 CB HIS A 99 -3.499 -0.408 -12.538 1.00 0.00 C ATOM 1541 CG HIS A 99 -2.435 -0.756 -11.522 1.00 0.00 C ATOM 1542 ND1 HIS A 99 -1.441 0.047 -11.213 1.00 0.00 N ATOM 1543 CD2 HIS A 99 -2.353 -1.893 -10.797 1.00 0.00 C ATOM 1544 CE1 HIS A 99 -0.702 -0.493 -10.298 1.00 0.00 C ATOM 1545 NE2 HIS A 99 -1.175 -1.619 -10.020 1.00 0.00 N ATOM 0 H HIS A 99 -4.254 -1.261 -15.396 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.529 0.690 -14.112 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.960 0.536 -12.248 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.278 -1.169 -12.498 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -1.276 0.962 -11.633 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.993 -2.763 -10.800 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.174 -0.048 -9.850 1.00 0.00 H new ATOM 1554 N THR A 100 -0.688 -1.106 -13.988 1.00 0.00 N ATOM 1555 CA THR A 100 0.329 -2.134 -14.182 1.00 0.00 C ATOM 1556 C THR A 100 1.301 -2.045 -13.033 1.00 0.00 C ATOM 1557 O THR A 100 1.389 -0.987 -12.427 1.00 0.00 O ATOM 1558 CB THR A 100 1.121 -1.918 -15.502 1.00 0.00 C ATOM 1559 OG1 THR A 100 2.023 -0.813 -15.320 1.00 0.00 O ATOM 1560 CG2 THR A 100 0.178 -1.622 -16.699 1.00 0.00 C ATOM 0 H THR A 100 -0.345 -0.233 -13.588 1.00 0.00 H new ATOM 0 HA THR A 100 -0.163 -3.105 -14.231 1.00 0.00 H new ATOM 0 HB THR A 100 1.667 -2.833 -15.730 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.531 -0.666 -16.145 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.771 -1.477 -17.602 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.503 -2.461 -16.842 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.397 -0.719 -16.494 1.00 0.00 H new ATOM 1568 N ALA A 101 2.039 -3.137 -12.741 1.00 0.00 N ATOM 1569 CA ALA A 101 3.068 -3.085 -11.708 1.00 0.00 C ATOM 1570 C ALA A 101 4.220 -3.961 -12.136 1.00 0.00 C ATOM 1571 O ALA A 101 3.960 -4.970 -12.772 1.00 0.00 O ATOM 1572 CB ALA A 101 2.500 -3.503 -10.333 1.00 0.00 C ATOM 0 H ALA A 101 1.938 -4.042 -13.201 1.00 0.00 H new ATOM 0 HA ALA A 101 3.425 -2.062 -11.590 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.290 -3.455 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.692 -2.828 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.118 -4.522 -10.392 1.00 0.00 H new ATOM 1578 N GLU A 102 5.485 -3.583 -11.832 1.00 0.00 N ATOM 1579 CA GLU A 102 6.631 -4.324 -12.355 1.00 0.00 C ATOM 1580 C GLU A 102 7.754 -4.308 -11.356 1.00 0.00 C ATOM 1581 O GLU A 102 7.747 -3.460 -10.480 1.00 0.00 O ATOM 1582 CB GLU A 102 7.179 -3.707 -13.671 1.00 0.00 C ATOM 1583 CG GLU A 102 6.083 -3.644 -14.759 1.00 0.00 C ATOM 1584 CD GLU A 102 6.580 -3.017 -16.036 1.00 0.00 C ATOM 1585 OE1 GLU A 102 7.664 -3.433 -16.523 1.00 0.00 O ATOM 1586 OE2 GLU A 102 5.888 -2.103 -16.566 1.00 0.00 O ATOM 0 H GLU A 102 5.723 -2.787 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 102 6.281 -5.338 -12.549 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.558 -2.704 -13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.019 -4.301 -14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.723 -4.651 -14.968 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.234 -3.073 -14.383 1.00 0.00 H new ATOM 1593 N ILE A 103 8.714 -5.245 -11.504 1.00 0.00 N ATOM 1594 CA ILE A 103 9.823 -5.363 -10.555 1.00 0.00 C ATOM 1595 C ILE A 103 11.123 -5.234 -11.311 1.00 0.00 C ATOM 1596 O ILE A 103 11.188 -5.726 -12.426 1.00 0.00 O ATOM 1597 CB ILE A 103 9.782 -6.750 -9.845 1.00 0.00 C ATOM 1598 CG1 ILE A 103 8.546 -6.877 -8.900 1.00 0.00 C ATOM 1599 CG2 ILE A 103 11.115 -7.086 -9.110 1.00 0.00 C ATOM 1600 CD1 ILE A 103 8.761 -6.280 -7.482 1.00 0.00 C ATOM 0 H ILE A 103 8.737 -5.922 -12.267 1.00 0.00 H new ATOM 0 HA ILE A 103 9.739 -4.578 -9.803 1.00 0.00 H new ATOM 0 HB ILE A 103 9.669 -7.498 -10.629 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.695 -6.380 -9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.285 -7.931 -8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.031 -8.063 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 103 11.933 -7.103 -9.830 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.314 -6.328 -8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 103 7.854 -6.410 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.590 -6.793 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 103 8.990 -5.218 -7.565 1.00 0.00 H new ATOM 1612 N VAL A 104 12.168 -4.612 -10.712 1.00 0.00 N ATOM 1613 CA VAL A 104 13.493 -4.631 -11.333 1.00 0.00 C ATOM 1614 C VAL A 104 14.549 -4.341 -10.290 1.00 0.00 C ATOM 1615 O VAL A 104 14.274 -3.514 -9.437 1.00 0.00 O ATOM 1616 CB VAL A 104 13.588 -3.617 -12.509 1.00 0.00 C ATOM 1617 CG1 VAL A 104 13.395 -2.154 -12.020 1.00 0.00 C ATOM 1618 CG2 VAL A 104 14.934 -3.757 -13.272 1.00 0.00 C ATOM 0 H VAL A 104 12.113 -4.108 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 104 13.662 -5.624 -11.748 1.00 0.00 H new ATOM 0 HB VAL A 104 12.778 -3.854 -13.198 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.468 -1.474 -12.869 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.414 -2.052 -11.556 1.00 0.00 H new ATOM 0 HG13 VAL A 104 14.168 -1.909 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 104 14.967 -3.034 -14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 104 15.761 -3.570 -12.587 1.00 0.00 H new ATOM 0 HG23 VAL A 104 15.019 -4.765 -13.678 1.00 0.00 H new ATOM 1628 N ASP A 105 15.740 -4.985 -10.327 1.00 0.00 N ATOM 1629 CA ASP A 105 16.801 -4.642 -9.378 1.00 0.00 C ATOM 1630 C ASP A 105 16.282 -4.525 -7.961 1.00 0.00 C ATOM 1631 O ASP A 105 16.612 -3.569 -7.277 1.00 0.00 O ATOM 1632 CB ASP A 105 17.482 -3.348 -9.903 1.00 0.00 C ATOM 1633 CG ASP A 105 18.635 -2.867 -9.057 1.00 0.00 C ATOM 1634 OD1 ASP A 105 19.220 -3.687 -8.298 1.00 0.00 O ATOM 1635 OD2 ASP A 105 18.971 -1.655 -9.149 1.00 0.00 O ATOM 0 H ASP A 105 15.977 -5.724 -10.989 1.00 0.00 H new ATOM 0 HA ASP A 105 17.543 -5.439 -9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 105 17.840 -3.525 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 105 16.735 -2.556 -9.962 1.00 0.00 H new ATOM 1640 N GLY A 106 15.458 -5.497 -7.505 1.00 0.00 N ATOM 1641 CA GLY A 106 14.921 -5.438 -6.144 1.00 0.00 C ATOM 1642 C GLY A 106 14.286 -4.104 -5.820 1.00 0.00 C ATOM 1643 O GLY A 106 14.412 -3.629 -4.703 1.00 0.00 O ATOM 0 H GLY A 106 15.162 -6.307 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.181 -6.228 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.723 -5.635 -5.433 1.00 0.00 H new ATOM 1647 N LYS A 107 13.578 -3.516 -6.807 1.00 0.00 N ATOM 1648 CA LYS A 107 12.787 -2.306 -6.591 1.00 0.00 C ATOM 1649 C LYS A 107 11.450 -2.586 -7.224 1.00 0.00 C ATOM 1650 O LYS A 107 11.357 -3.549 -7.968 1.00 0.00 O ATOM 1651 CB LYS A 107 13.437 -1.064 -7.259 1.00 0.00 C ATOM 1652 CG LYS A 107 14.723 -0.628 -6.508 1.00 0.00 C ATOM 1653 CD LYS A 107 15.423 0.604 -7.150 1.00 0.00 C ATOM 1654 CE LYS A 107 16.007 0.313 -8.560 1.00 0.00 C ATOM 1655 NZ LYS A 107 16.876 1.413 -9.038 1.00 0.00 N ATOM 0 H LYS A 107 13.544 -3.869 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 107 12.711 -2.078 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.679 -1.292 -8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.724 -0.240 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 107 14.470 -0.395 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.423 -1.463 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.707 1.423 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 107 16.226 0.940 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 107 16.579 -0.615 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.191 0.163 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.245 1.179 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 16.325 2.293 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.670 1.540 -8.378 1.00 0.00 H new ATOM 1669 N LEU A 108 10.425 -1.760 -6.933 1.00 0.00 N ATOM 1670 CA LEU A 108 9.102 -1.984 -7.507 1.00 0.00 C ATOM 1671 C LEU A 108 8.817 -0.760 -8.342 1.00 0.00 C ATOM 1672 O LEU A 108 9.280 0.307 -7.983 1.00 0.00 O ATOM 1673 CB LEU A 108 8.118 -2.262 -6.333 1.00 0.00 C ATOM 1674 CG LEU A 108 6.616 -2.329 -6.731 1.00 0.00 C ATOM 1675 CD1 LEU A 108 6.258 -3.653 -7.461 1.00 0.00 C ATOM 1676 CD2 LEU A 108 5.718 -2.188 -5.469 1.00 0.00 C ATOM 0 H LEU A 108 10.494 -0.951 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 108 9.008 -2.850 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 108 8.395 -3.205 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.244 -1.482 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 108 6.434 -1.503 -7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.199 -3.652 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.852 -3.739 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.472 -4.498 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.669 -2.237 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.939 -2.998 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.916 -1.231 -4.987 1.00 0.00 H new ATOM 1688 N VAL A 109 8.098 -0.883 -9.478 1.00 0.00 N ATOM 1689 CA VAL A 109 7.901 0.262 -10.367 1.00 0.00 C ATOM 1690 C VAL A 109 6.501 0.126 -10.899 1.00 0.00 C ATOM 1691 O VAL A 109 6.221 -0.939 -11.426 1.00 0.00 O ATOM 1692 CB VAL A 109 8.928 0.218 -11.535 1.00 0.00 C ATOM 1693 CG1 VAL A 109 8.698 1.411 -12.505 1.00 0.00 C ATOM 1694 CG2 VAL A 109 10.384 0.222 -10.994 1.00 0.00 C ATOM 0 H VAL A 109 7.656 -1.748 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 109 8.044 1.208 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 109 8.778 -0.710 -12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.425 1.366 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.690 1.356 -12.917 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.818 2.349 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.083 0.191 -11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.554 1.128 -10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.539 -0.650 -10.359 1.00 0.00 H new ATOM 1704 N GLU A 110 5.615 1.140 -10.762 1.00 0.00 N ATOM 1705 CA GLU A 110 4.222 0.909 -11.127 1.00 0.00 C ATOM 1706 C GLU A 110 3.596 2.146 -11.712 1.00 0.00 C ATOM 1707 O GLU A 110 4.194 3.209 -11.664 1.00 0.00 O ATOM 1708 CB GLU A 110 3.408 0.436 -9.886 1.00 0.00 C ATOM 1709 CG GLU A 110 4.228 -0.354 -8.834 1.00 0.00 C ATOM 1710 CD GLU A 110 3.352 -0.646 -7.641 1.00 0.00 C ATOM 1711 OE1 GLU A 110 2.449 -1.517 -7.762 1.00 0.00 O ATOM 1712 OE2 GLU A 110 3.551 0.000 -6.575 1.00 0.00 O ATOM 0 H GLU A 110 5.835 2.075 -10.419 1.00 0.00 H new ATOM 0 HA GLU A 110 4.203 0.128 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.969 1.309 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.583 -0.189 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.597 -1.284 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.101 0.223 -8.527 1.00 0.00 H new ATOM 1719 N VAL A 111 2.370 1.989 -12.257 1.00 0.00 N ATOM 1720 CA VAL A 111 1.648 3.142 -12.781 1.00 0.00 C ATOM 1721 C VAL A 111 0.173 2.824 -12.805 1.00 0.00 C ATOM 1722 O VAL A 111 -0.162 1.680 -13.069 1.00 0.00 O ATOM 1723 CB VAL A 111 2.168 3.552 -14.192 1.00 0.00 C ATOM 1724 CG1 VAL A 111 2.273 2.320 -15.129 1.00 0.00 C ATOM 1725 CG2 VAL A 111 1.278 4.650 -14.845 1.00 0.00 C ATOM 0 H VAL A 111 1.881 1.098 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 111 1.820 3.999 -12.129 1.00 0.00 H new ATOM 0 HB VAL A 111 3.165 3.971 -14.051 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.638 2.636 -16.106 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.965 1.595 -14.700 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.290 1.862 -15.240 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.677 4.905 -15.827 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.260 4.276 -14.953 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.273 5.538 -14.213 1.00 0.00 H new ATOM 1735 N SER A 112 -0.704 3.816 -12.531 1.00 0.00 N ATOM 1736 CA SER A 112 -2.148 3.590 -12.592 1.00 0.00 C ATOM 1737 C SER A 112 -2.731 4.696 -13.418 1.00 0.00 C ATOM 1738 O SER A 112 -2.066 5.700 -13.610 1.00 0.00 O ATOM 1739 CB SER A 112 -2.820 3.570 -11.193 1.00 0.00 C ATOM 1740 OG SER A 112 -2.511 4.750 -10.440 1.00 0.00 O ATOM 0 H SER A 112 -0.433 4.764 -12.270 1.00 0.00 H new ATOM 0 HA SER A 112 -2.332 2.609 -13.029 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.900 3.485 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 112 -2.488 2.690 -10.642 1.00 0.00 H new ATOM 0 HG SER A 112 -3.320 5.294 -10.337 1.00 0.00 H new ATOM 1746 N THR A 113 -3.962 4.502 -13.934 1.00 0.00 N ATOM 1747 CA THR A 113 -4.496 5.466 -14.883 1.00 0.00 C ATOM 1748 C THR A 113 -5.999 5.459 -14.806 1.00 0.00 C ATOM 1749 O THR A 113 -6.546 4.419 -14.479 1.00 0.00 O ATOM 1750 CB THR A 113 -3.955 5.037 -16.269 1.00 0.00 C ATOM 1751 OG1 THR A 113 -2.520 5.153 -16.264 1.00 0.00 O ATOM 1752 CG2 THR A 113 -4.572 5.837 -17.442 1.00 0.00 C ATOM 0 H THR A 113 -4.574 3.716 -13.714 1.00 0.00 H new ATOM 0 HA THR A 113 -4.190 6.491 -14.675 1.00 0.00 H new ATOM 0 HB THR A 113 -4.250 4.001 -16.436 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.167 4.882 -17.137 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.150 5.486 -18.384 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.652 5.692 -17.453 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.349 6.897 -17.317 1.00 0.00 H new ATOM 1760 N VAL A 114 -6.657 6.607 -15.089 1.00 0.00 N ATOM 1761 CA VAL A 114 -8.104 6.697 -14.904 1.00 0.00 C ATOM 1762 C VAL A 114 -8.687 7.426 -16.092 1.00 0.00 C ATOM 1763 O VAL A 114 -9.165 8.542 -15.971 1.00 0.00 O ATOM 1764 CB VAL A 114 -8.416 7.249 -13.477 1.00 0.00 C ATOM 1765 CG1 VAL A 114 -7.832 8.665 -13.214 1.00 0.00 C ATOM 1766 CG2 VAL A 114 -9.940 7.227 -13.168 1.00 0.00 C ATOM 0 H VAL A 114 -6.214 7.457 -15.437 1.00 0.00 H new ATOM 0 HA VAL A 114 -8.609 5.731 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.909 6.568 -12.793 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -8.089 8.983 -12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -6.748 8.637 -13.321 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -8.249 9.370 -13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -10.114 7.619 -12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -10.468 7.844 -13.895 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -10.308 6.203 -13.226 1.00 0.00 H new ATOM 1776 N GLY A 115 -8.652 6.771 -17.277 1.00 0.00 N ATOM 1777 CA GLY A 115 -9.235 7.367 -18.475 1.00 0.00 C ATOM 1778 C GLY A 115 -8.220 8.253 -19.153 1.00 0.00 C ATOM 1779 O GLY A 115 -7.501 7.751 -20.004 1.00 0.00 O ATOM 0 H GLY A 115 -8.233 5.851 -17.416 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -9.562 6.584 -19.159 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -10.118 7.948 -18.210 1.00 0.00 H new ATOM 1783 N GLY A 116 -8.146 9.559 -18.795 1.00 0.00 N ATOM 1784 CA GLY A 116 -7.244 10.482 -19.487 1.00 0.00 C ATOM 1785 C GLY A 116 -6.170 11.044 -18.587 1.00 0.00 C ATOM 1786 O GLY A 116 -5.660 12.104 -18.918 1.00 0.00 O ATOM 0 H GLY A 116 -8.693 9.980 -18.044 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.775 9.964 -20.323 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.825 11.303 -19.906 1.00 0.00 H new ATOM 1790 N VAL A 117 -5.803 10.369 -17.470 1.00 0.00 N ATOM 1791 CA VAL A 117 -4.793 10.914 -16.561 1.00 0.00 C ATOM 1792 C VAL A 117 -3.988 9.763 -16.001 1.00 0.00 C ATOM 1793 O VAL A 117 -4.557 8.980 -15.258 1.00 0.00 O ATOM 1794 CB VAL A 117 -5.487 11.707 -15.415 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -4.480 12.084 -14.295 1.00 0.00 C ATOM 1796 CG2 VAL A 117 -6.166 12.990 -15.975 1.00 0.00 C ATOM 0 H VAL A 117 -6.188 9.467 -17.190 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.132 11.598 -17.093 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.249 11.060 -14.981 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.998 12.637 -13.511 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.047 11.176 -13.874 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.687 12.704 -14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -6.646 13.532 -15.161 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.413 13.626 -16.441 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.915 12.711 -16.717 1.00 0.00 H new ATOM 1806 N SER A 118 -2.679 9.645 -16.333 1.00 0.00 N ATOM 1807 CA SER A 118 -1.868 8.586 -15.743 1.00 0.00 C ATOM 1808 C SER A 118 -1.427 9.003 -14.362 1.00 0.00 C ATOM 1809 O SER A 118 -1.567 10.165 -14.015 1.00 0.00 O ATOM 1810 CB SER A 118 -0.634 8.269 -16.628 1.00 0.00 C ATOM 1811 OG SER A 118 -1.038 8.029 -17.987 1.00 0.00 O ATOM 0 H SER A 118 -2.187 10.255 -16.986 1.00 0.00 H new ATOM 0 HA SER A 118 -2.471 7.681 -15.675 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.070 9.101 -16.593 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.114 7.395 -16.237 1.00 0.00 H new ATOM 0 HG SER A 118 -0.248 7.832 -18.533 1.00 0.00 H new ATOM 1817 N TYR A 119 -0.891 8.045 -13.574 1.00 0.00 N ATOM 1818 CA TYR A 119 -0.447 8.346 -12.216 1.00 0.00 C ATOM 1819 C TYR A 119 0.707 7.435 -11.870 1.00 0.00 C ATOM 1820 O TYR A 119 0.518 6.437 -11.192 1.00 0.00 O ATOM 1821 CB TYR A 119 -1.657 8.193 -11.261 1.00 0.00 C ATOM 1822 CG TYR A 119 -1.328 8.334 -9.762 1.00 0.00 C ATOM 1823 CD1 TYR A 119 -0.385 9.255 -9.292 1.00 0.00 C ATOM 1824 CD2 TYR A 119 -1.989 7.529 -8.826 1.00 0.00 C ATOM 1825 CE1 TYR A 119 -0.077 9.329 -7.931 1.00 0.00 C ATOM 1826 CE2 TYR A 119 -1.649 7.566 -7.471 1.00 0.00 C ATOM 1827 CZ TYR A 119 -0.660 8.447 -7.020 1.00 0.00 C ATOM 1828 OH TYR A 119 -0.248 8.465 -5.683 1.00 0.00 O ATOM 0 H TYR A 119 -0.761 7.074 -13.859 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.085 9.370 -12.121 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.405 8.940 -11.525 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -2.110 7.216 -11.427 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.110 9.916 -9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.776 6.868 -9.157 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.619 10.076 -7.580 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -2.150 6.914 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 119 -0.750 7.792 -5.177 1.00 0.00 H new ATOM 1838 N GLU A 120 1.915 7.797 -12.356 1.00 0.00 N ATOM 1839 CA GLU A 120 3.113 6.998 -12.093 1.00 0.00 C ATOM 1840 C GLU A 120 3.311 6.790 -10.611 1.00 0.00 C ATOM 1841 O GLU A 120 2.700 7.491 -9.823 1.00 0.00 O ATOM 1842 CB GLU A 120 4.343 7.719 -12.726 1.00 0.00 C ATOM 1843 CG GLU A 120 5.699 6.973 -12.598 1.00 0.00 C ATOM 1844 CD GLU A 120 6.784 7.649 -13.400 1.00 0.00 C ATOM 1845 OE1 GLU A 120 6.766 8.906 -13.500 1.00 0.00 O ATOM 1846 OE2 GLU A 120 7.669 6.929 -13.936 1.00 0.00 O ATOM 0 H GLU A 120 2.077 8.628 -12.925 1.00 0.00 H new ATOM 0 HA GLU A 120 2.998 6.012 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.139 7.885 -13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.444 8.700 -12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.994 6.931 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.582 5.944 -12.938 1.00 0.00 H new ATOM 1853 N ARG A 121 4.170 5.822 -10.222 1.00 0.00 N ATOM 1854 CA ARG A 121 4.598 5.710 -8.829 1.00 0.00 C ATOM 1855 C ARG A 121 5.810 4.794 -8.779 1.00 0.00 C ATOM 1856 O ARG A 121 5.633 3.585 -8.757 1.00 0.00 O ATOM 1857 CB ARG A 121 3.450 5.221 -7.898 1.00 0.00 C ATOM 1858 CG ARG A 121 2.509 4.228 -8.634 1.00 0.00 C ATOM 1859 CD ARG A 121 1.718 3.280 -7.689 1.00 0.00 C ATOM 1860 NE ARG A 121 0.729 3.951 -6.845 1.00 0.00 N ATOM 1861 CZ ARG A 121 -0.126 3.296 -6.084 1.00 0.00 C ATOM 1862 NH1 ARG A 121 -0.132 1.985 -5.974 1.00 0.00 N ATOM 1863 NH2 ARG A 121 -1.019 3.978 -5.405 1.00 0.00 N ATOM 0 H ARG A 121 4.569 5.123 -10.848 1.00 0.00 H new ATOM 0 HA ARG A 121 4.871 6.695 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.874 4.738 -7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 121 2.875 6.077 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 121 1.800 4.796 -9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.102 3.625 -9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.211 2.527 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.425 2.753 -7.049 1.00 0.00 H new ATOM 0 HE ARG A 121 0.700 4.971 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.547 1.427 -6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.815 1.527 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.043 4.996 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.689 3.490 -4.811 1.00 0.00 H new ATOM 1877 N VAL A 122 7.052 5.345 -8.767 1.00 0.00 N ATOM 1878 CA VAL A 122 8.235 4.490 -8.640 1.00 0.00 C ATOM 1879 C VAL A 122 8.226 3.974 -7.228 1.00 0.00 C ATOM 1880 O VAL A 122 7.685 4.661 -6.375 1.00 0.00 O ATOM 1881 CB VAL A 122 9.570 5.238 -8.950 1.00 0.00 C ATOM 1882 CG1 VAL A 122 9.995 6.203 -7.805 1.00 0.00 C ATOM 1883 CG2 VAL A 122 10.737 4.257 -9.256 1.00 0.00 C ATOM 0 H VAL A 122 7.245 6.344 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 122 8.188 3.684 -9.373 1.00 0.00 H new ATOM 0 HB VAL A 122 9.366 5.831 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.929 6.697 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.219 6.953 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 122 10.135 5.636 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 122 11.644 4.824 -9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 122 10.904 3.610 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.482 3.648 -10.123 1.00 0.00 H new ATOM 1893 N SER A 123 8.803 2.783 -6.954 1.00 0.00 N ATOM 1894 CA SER A 123 8.773 2.266 -5.596 1.00 0.00 C ATOM 1895 C SER A 123 10.065 1.560 -5.273 1.00 0.00 C ATOM 1896 O SER A 123 10.784 1.197 -6.189 1.00 0.00 O ATOM 1897 CB SER A 123 7.484 1.415 -5.459 1.00 0.00 C ATOM 1898 OG SER A 123 7.431 0.684 -4.229 1.00 0.00 O ATOM 0 H SER A 123 9.275 2.191 -7.637 1.00 0.00 H new ATOM 0 HA SER A 123 8.718 3.053 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.614 2.068 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.424 0.717 -6.294 1.00 0.00 H new ATOM 0 HG SER A 123 7.797 1.234 -3.505 1.00 0.00 H new ATOM 1904 N LYS A 124 10.391 1.396 -3.971 1.00 0.00 N ATOM 1905 CA LYS A 124 11.664 0.794 -3.584 1.00 0.00 C ATOM 1906 C LYS A 124 11.430 -0.200 -2.478 1.00 0.00 C ATOM 1907 O LYS A 124 10.392 -0.135 -1.841 1.00 0.00 O ATOM 1908 CB LYS A 124 12.665 1.890 -3.136 1.00 0.00 C ATOM 1909 CG LYS A 124 12.991 2.856 -4.311 1.00 0.00 C ATOM 1910 CD LYS A 124 14.089 3.901 -3.957 1.00 0.00 C ATOM 1911 CE LYS A 124 15.532 3.502 -4.384 1.00 0.00 C ATOM 1912 NZ LYS A 124 16.048 2.271 -3.744 1.00 0.00 N ATOM 0 H LYS A 124 9.794 1.670 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 124 12.095 0.276 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.245 2.453 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.583 1.425 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.317 2.273 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.082 3.379 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.834 4.849 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.077 4.069 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.553 3.369 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 124 16.206 4.326 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 17.012 2.081 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.064 2.397 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.431 1.469 -3.985 1.00 0.00 H new ATOM 1926 N LYS A 125 12.384 -1.131 -2.258 1.00 0.00 N ATOM 1927 CA LYS A 125 12.173 -2.203 -1.286 1.00 0.00 C ATOM 1928 C LYS A 125 12.659 -1.778 0.078 1.00 0.00 C ATOM 1929 O LYS A 125 13.638 -1.052 0.139 1.00 0.00 O ATOM 1930 CB LYS A 125 12.897 -3.477 -1.801 1.00 0.00 C ATOM 1931 CG LYS A 125 12.685 -4.722 -0.900 1.00 0.00 C ATOM 1932 CD LYS A 125 13.395 -5.995 -1.443 1.00 0.00 C ATOM 1933 CE LYS A 125 12.771 -6.539 -2.758 1.00 0.00 C ATOM 1934 NZ LYS A 125 13.375 -7.831 -3.157 1.00 0.00 N ATOM 0 H LYS A 125 13.286 -1.155 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 125 11.111 -2.424 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.544 -3.703 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.965 -3.272 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.056 -4.506 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.617 -4.920 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.447 -5.769 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.357 -6.775 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 125 11.696 -6.665 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.911 -5.810 -3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.934 -8.163 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.396 -7.705 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.220 -8.534 -2.406 1.00 0.00 H new ATOM 1948 N LEU A 126 11.995 -2.217 1.176 1.00 0.00 N ATOM 1949 CA LEU A 126 12.483 -1.881 2.513 1.00 0.00 C ATOM 1950 C LEU A 126 13.682 -2.771 2.750 1.00 0.00 C ATOM 1951 O LEU A 126 14.767 -2.260 2.981 1.00 0.00 O ATOM 1952 CB LEU A 126 11.444 -2.081 3.656 1.00 0.00 C ATOM 1953 CG LEU A 126 10.347 -0.975 3.726 1.00 0.00 C ATOM 1954 CD1 LEU A 126 9.511 -0.897 2.421 1.00 0.00 C ATOM 1955 CD2 LEU A 126 9.409 -1.239 4.939 1.00 0.00 C ATOM 0 H LEU A 126 11.148 -2.786 1.154 1.00 0.00 H new ATOM 0 HA LEU A 126 12.717 -0.817 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 126 10.960 -3.049 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 126 11.972 -2.114 4.609 1.00 0.00 H new ATOM 0 HG LEU A 126 10.853 -0.018 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.760 -0.113 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 126 10.168 -0.670 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 126 9.017 -1.853 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 126 8.644 -0.463 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 126 8.932 -2.213 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 126 9.992 -1.226 5.860 1.00 0.00 H new ATOM 1967 N ALA A 127 13.503 -4.112 2.687 1.00 0.00 N ATOM 1968 CA ALA A 127 14.645 -5.010 2.841 1.00 0.00 C ATOM 1969 C ALA A 127 15.639 -4.706 1.749 1.00 0.00 C ATOM 1970 O ALA A 127 15.841 -5.477 0.825 1.00 0.00 O ATOM 1971 CB ALA A 127 14.205 -6.499 2.808 1.00 0.00 C ATOM 0 H ALA A 127 12.606 -4.573 2.535 1.00 0.00 H new ATOM 0 HA ALA A 127 15.109 -4.847 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 127 15.079 -7.139 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 127 13.504 -6.689 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 127 13.722 -6.715 1.855 1.00 0.00 H new