USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -0.132 F(o=-0.53,f=0.36) USER MOD Set 1.3: A 84 ASN : amide:sc= 0.488 K(o=0.36,f=-4.4!) USER MOD Single : A 3 GLN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 7 SER OG : rot -43:sc= 0.568 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -105:sc= 0.939 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 179:sc= -0.457 (180deg=-0.468) USER MOD Single : A 39 GLN : amide:sc= -2.8! C(o=-2.8!,f=-3.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 77:sc= 1.08 USER MOD Single : A 52 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -85:sc= 0.0476 USER MOD Single : A 62 SER OG : rot -87:sc= 0.12 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0925 K(o=-0.092,f=-1.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= -0.975 (180deg=-2.83!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 80 TYR OH : rot 30:sc= -1.88 USER MOD Single : A 83 MET CE :methyl 171:sc= -12! (180deg=-12.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= -1.81 (180deg=-3.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.21! USER MOD Single : A 94 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 150:sc= -0.221 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.023 F(o=-2.9!,f=-0.023) USER MOD Single : A 114 THR OG1 : rot -146:sc= -0.127 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.053 10.365 0.550 1.00 0.00 N ATOM 37 CA GLN A 3 8.857 10.790 -0.168 1.00 0.00 C ATOM 38 C GLN A 3 8.188 9.606 -0.858 1.00 0.00 C ATOM 39 O GLN A 3 8.852 8.646 -1.248 1.00 0.00 O ATOM 40 CB GLN A 3 9.210 11.863 -1.199 1.00 0.00 C ATOM 41 CG GLN A 3 9.467 13.232 -0.590 1.00 0.00 C ATOM 42 CD GLN A 3 8.527 14.296 -1.125 1.00 0.00 C ATOM 43 OE1 GLN A 3 8.963 15.352 -1.583 1.00 0.00 O ATOM 44 NE2 GLN A 3 7.229 14.021 -1.070 1.00 0.00 N ATOM 0 HA GLN A 3 8.158 11.208 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.096 11.548 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.397 11.943 -1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.360 13.169 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.497 13.528 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.912 13.133 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.549 14.698 -1.416 1.00 0.00 H new ATOM 53 N LEU A 4 6.869 9.681 -1.006 1.00 0.00 N ATOM 54 CA LEU A 4 6.111 8.615 -1.649 1.00 0.00 C ATOM 55 C LEU A 4 4.885 9.173 -2.366 1.00 0.00 C ATOM 56 O LEU A 4 4.376 10.237 -2.012 1.00 0.00 O ATOM 57 CB LEU A 4 5.681 7.571 -0.614 1.00 0.00 C ATOM 58 CG LEU A 4 6.829 6.824 0.070 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.193 7.494 1.386 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.456 5.366 0.298 1.00 0.00 C ATOM 0 H LEU A 4 6.304 10.469 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 4 6.756 8.140 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.083 8.066 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.034 6.842 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 4 7.700 6.858 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.011 6.949 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.503 8.522 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.326 7.492 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.284 4.851 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.571 5.312 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.246 4.890 -0.660 1.00 0.00 H new ATOM 72 N GLN A 5 4.416 8.448 -3.376 1.00 0.00 N ATOM 73 CA GLN A 5 3.251 8.867 -4.145 1.00 0.00 C ATOM 74 C GLN A 5 2.503 7.657 -4.693 1.00 0.00 C ATOM 75 O GLN A 5 3.056 6.561 -4.771 1.00 0.00 O ATOM 76 CB GLN A 5 3.677 9.783 -5.293 1.00 0.00 C ATOM 77 CG GLN A 5 2.538 10.615 -5.856 1.00 0.00 C ATOM 78 CD GLN A 5 2.903 12.079 -6.006 1.00 0.00 C ATOM 79 OE1 GLN A 5 2.986 12.599 -7.119 1.00 0.00 O ATOM 80 NE2 GLN A 5 3.123 12.752 -4.883 1.00 0.00 N ATOM 0 H GLN A 5 4.826 7.565 -3.681 1.00 0.00 H new ATOM 0 HA GLN A 5 2.582 9.416 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.465 10.449 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.104 9.177 -6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.247 10.216 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.670 10.526 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.043 12.281 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.372 13.740 -4.921 1.00 0.00 H new ATOM 89 N GLU A 6 1.243 7.859 -5.069 1.00 0.00 N ATOM 90 CA GLU A 6 0.422 6.777 -5.606 1.00 0.00 C ATOM 91 C GLU A 6 0.142 6.989 -7.090 1.00 0.00 C ATOM 92 O GLU A 6 0.337 8.084 -7.619 1.00 0.00 O ATOM 93 CB GLU A 6 -0.904 6.669 -4.838 1.00 0.00 C ATOM 94 CG GLU A 6 -0.905 7.381 -3.493 1.00 0.00 C ATOM 95 CD GLU A 6 0.072 6.771 -2.508 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.231 5.688 -1.965 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.139 7.378 -2.277 1.00 0.00 O ATOM 0 H GLU A 6 0.769 8.760 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 6 0.978 5.848 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.703 7.080 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.134 5.616 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.656 8.432 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.909 7.349 -3.070 1.00 0.00 H new ATOM 104 N SER A 7 -0.318 5.934 -7.758 1.00 0.00 N ATOM 105 CA SER A 7 -0.625 6.005 -9.182 1.00 0.00 C ATOM 106 C SER A 7 -1.471 4.813 -9.619 1.00 0.00 C ATOM 107 O SER A 7 -0.943 3.742 -9.919 1.00 0.00 O ATOM 108 CB SER A 7 0.665 6.055 -10.002 1.00 0.00 C ATOM 109 OG SER A 7 1.623 6.907 -9.397 1.00 0.00 O ATOM 0 H SER A 7 -0.486 5.021 -7.335 1.00 0.00 H new ATOM 0 HA SER A 7 -1.196 6.917 -9.358 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.077 5.051 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.445 6.408 -11.010 1.00 0.00 H new ATOM 0 HG SER A 7 1.182 7.724 -9.082 1.00 0.00 H new ATOM 115 N GLY A 8 -2.786 5.006 -9.654 1.00 0.00 N ATOM 116 CA GLY A 8 -3.681 3.937 -10.059 1.00 0.00 C ATOM 117 C GLY A 8 -4.917 3.848 -9.185 1.00 0.00 C ATOM 118 O GLY A 8 -5.973 3.405 -9.637 1.00 0.00 O ATOM 0 H GLY A 8 -3.247 5.882 -9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.983 4.094 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.146 2.988 -10.024 1.00 0.00 H new ATOM 122 N GLY A 9 -4.786 4.265 -7.929 1.00 0.00 N ATOM 123 CA GLY A 9 -5.901 4.221 -7.008 1.00 0.00 C ATOM 124 C GLY A 9 -7.158 4.844 -7.575 1.00 0.00 C ATOM 125 O GLY A 9 -7.110 5.890 -8.221 1.00 0.00 O ATOM 0 H GLY A 9 -3.921 4.634 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.104 3.184 -6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.627 4.739 -6.089 1.00 0.00 H new ATOM 129 N GLY A 10 -8.281 4.193 -7.326 1.00 0.00 N ATOM 130 CA GLY A 10 -9.554 4.685 -7.811 1.00 0.00 C ATOM 131 C GLY A 10 -10.710 3.802 -7.393 1.00 0.00 C ATOM 132 O GLY A 10 -10.543 2.878 -6.597 1.00 0.00 O ATOM 0 H GLY A 10 -8.335 3.325 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.717 5.695 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.525 4.750 -8.899 1.00 0.00 H new ATOM 136 N LEU A 11 -11.885 4.098 -7.925 1.00 0.00 N ATOM 137 CA LEU A 11 -13.085 3.347 -7.609 1.00 0.00 C ATOM 138 C LEU A 11 -13.034 1.939 -8.191 1.00 0.00 C ATOM 139 O LEU A 11 -12.415 1.707 -9.229 1.00 0.00 O ATOM 140 CB LEU A 11 -14.310 4.086 -8.135 1.00 0.00 C ATOM 141 CG LEU A 11 -14.400 5.533 -7.667 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.180 6.491 -8.829 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.736 5.805 -6.991 1.00 0.00 C ATOM 0 H LEU A 11 -12.032 4.862 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.151 3.256 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.295 4.066 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.208 3.555 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.611 5.699 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.249 7.518 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.193 6.321 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.941 6.320 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.774 6.845 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.546 5.615 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.846 5.151 -6.126 1.00 0.00 H new ATOM 155 N VAL A 12 -13.692 1.004 -7.515 1.00 0.00 N ATOM 156 CA VAL A 12 -13.728 -0.383 -7.962 1.00 0.00 C ATOM 157 C VAL A 12 -14.989 -1.083 -7.466 1.00 0.00 C ATOM 158 O VAL A 12 -15.190 -1.243 -6.263 1.00 0.00 O ATOM 159 CB VAL A 12 -12.490 -1.160 -7.477 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.407 -1.147 -5.959 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.508 -2.587 -8.007 1.00 0.00 C ATOM 0 H VAL A 12 -14.209 1.182 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.730 -0.369 -9.052 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.601 -0.665 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.525 -1.702 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.336 -0.118 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.300 -1.612 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.625 -3.118 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.404 -3.096 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.508 -2.570 -9.097 1.00 0.00 H new ATOM 171 N GLN A 13 -15.839 -1.495 -8.403 1.00 0.00 N ATOM 172 CA GLN A 13 -17.083 -2.175 -8.064 1.00 0.00 C ATOM 173 C GLN A 13 -16.834 -3.367 -7.143 1.00 0.00 C ATOM 174 O GLN A 13 -15.865 -4.106 -7.317 1.00 0.00 O ATOM 175 CB GLN A 13 -17.793 -2.632 -9.332 1.00 0.00 C ATOM 176 CG GLN A 13 -19.251 -2.214 -9.395 1.00 0.00 C ATOM 177 CD GLN A 13 -20.185 -3.266 -8.830 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.404 -4.312 -9.442 1.00 0.00 O ATOM 179 NE2 GLN A 13 -20.741 -2.994 -7.655 1.00 0.00 N ATOM 0 H GLN A 13 -15.687 -1.369 -9.404 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.718 -1.467 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.270 -2.227 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.731 -3.718 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.382 -1.283 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.522 -2.011 -10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.531 -2.115 -7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -21.378 -3.665 -7.225 1.00 0.00 H new ATOM 188 N ALA A 14 -17.715 -3.544 -6.163 1.00 0.00 N ATOM 189 CA ALA A 14 -17.598 -4.641 -5.210 1.00 0.00 C ATOM 190 C ALA A 14 -17.374 -5.973 -5.920 1.00 0.00 C ATOM 191 O ALA A 14 -18.171 -6.378 -6.766 1.00 0.00 O ATOM 192 CB ALA A 14 -18.839 -4.708 -4.333 1.00 0.00 C ATOM 0 H ALA A 14 -18.521 -2.938 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.729 -4.450 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.740 -5.531 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.950 -3.771 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.718 -4.870 -4.958 1.00 0.00 H new ATOM 198 N GLY A 15 -16.284 -6.649 -5.572 1.00 0.00 N ATOM 199 CA GLY A 15 -15.974 -7.926 -6.187 1.00 0.00 C ATOM 200 C GLY A 15 -14.989 -7.803 -7.336 1.00 0.00 C ATOM 201 O GLY A 15 -14.635 -8.800 -7.965 1.00 0.00 O ATOM 0 H GLY A 15 -15.609 -6.335 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.563 -8.597 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.895 -8.382 -6.551 1.00 0.00 H new ATOM 205 N GLY A 16 -14.544 -6.579 -7.612 1.00 0.00 N ATOM 206 CA GLY A 16 -13.600 -6.360 -8.691 1.00 0.00 C ATOM 207 C GLY A 16 -12.192 -6.113 -8.187 1.00 0.00 C ATOM 208 O GLY A 16 -11.994 -5.399 -7.204 1.00 0.00 O ATOM 0 H GLY A 16 -14.821 -5.737 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.600 -7.227 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.925 -5.507 -9.286 1.00 0.00 H new ATOM 212 N SER A 17 -11.212 -6.705 -8.861 1.00 0.00 N ATOM 213 CA SER A 17 -9.816 -6.544 -8.474 1.00 0.00 C ATOM 214 C SER A 17 -9.262 -5.213 -8.971 1.00 0.00 C ATOM 215 O SER A 17 -9.578 -4.773 -10.076 1.00 0.00 O ATOM 216 CB SER A 17 -8.980 -7.698 -9.023 1.00 0.00 C ATOM 217 OG SER A 17 -7.605 -7.358 -9.077 1.00 0.00 O ATOM 0 H SER A 17 -11.359 -7.300 -9.677 1.00 0.00 H new ATOM 0 HA SER A 17 -9.762 -6.552 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.115 -8.578 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.331 -7.962 -10.021 1.00 0.00 H new ATOM 0 HG SER A 17 -7.094 -8.116 -9.431 1.00 0.00 H new ATOM 223 N LEU A 18 -8.433 -4.576 -8.149 1.00 0.00 N ATOM 224 CA LEU A 18 -7.838 -3.302 -8.507 1.00 0.00 C ATOM 225 C LEU A 18 -6.343 -3.316 -8.215 1.00 0.00 C ATOM 226 O LEU A 18 -5.885 -4.019 -7.314 1.00 0.00 O ATOM 227 CB LEU A 18 -8.520 -2.167 -7.746 1.00 0.00 C ATOM 228 CG LEU A 18 -8.058 -0.772 -8.146 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.728 -0.337 -9.440 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.339 0.227 -7.033 1.00 0.00 C ATOM 0 H LEU A 18 -8.161 -4.926 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.980 -3.138 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.597 -2.238 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.342 -2.303 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.981 -0.803 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.385 0.662 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.470 -1.036 -10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.809 -0.325 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.001 1.217 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.410 0.255 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.807 -0.075 -6.131 1.00 0.00 H new ATOM 242 N ARG A 19 -5.584 -2.551 -8.988 1.00 0.00 N ATOM 243 CA ARG A 19 -4.140 -2.494 -8.814 1.00 0.00 C ATOM 244 C ARG A 19 -3.659 -1.061 -8.625 1.00 0.00 C ATOM 245 O ARG A 19 -3.940 -0.187 -9.446 1.00 0.00 O ATOM 246 CB ARG A 19 -3.444 -3.120 -10.022 1.00 0.00 C ATOM 247 CG ARG A 19 -1.928 -3.148 -9.907 1.00 0.00 C ATOM 248 CD ARG A 19 -1.303 -4.022 -10.983 1.00 0.00 C ATOM 249 NE ARG A 19 -0.299 -4.931 -10.434 1.00 0.00 N ATOM 250 CZ ARG A 19 0.159 -6.004 -11.075 1.00 0.00 C ATOM 251 NH1 ARG A 19 -0.296 -6.306 -12.285 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.072 -6.777 -10.504 1.00 0.00 N ATOM 0 H ARG A 19 -5.944 -1.963 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.887 -3.057 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.809 -4.139 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.721 -2.565 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.537 -2.134 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.644 -3.521 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.083 -4.600 -11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.843 -3.389 -11.742 1.00 0.00 H new ATOM 0 HE ARG A 19 0.073 -4.732 -9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.000 -5.715 -12.728 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.058 -7.129 -12.772 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.423 -6.550 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.423 -7.599 -10.995 1.00 0.00 H new ATOM 266 N LEU A 20 -2.916 -0.831 -7.548 1.00 0.00 N ATOM 267 CA LEU A 20 -2.378 0.489 -7.261 1.00 0.00 C ATOM 268 C LEU A 20 -0.861 0.456 -7.345 1.00 0.00 C ATOM 269 O LEU A 20 -0.236 -0.572 -7.079 1.00 0.00 O ATOM 270 CB LEU A 20 -2.812 0.973 -5.875 1.00 0.00 C ATOM 271 CG LEU A 20 -4.187 0.491 -5.414 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.518 1.062 -4.042 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.254 0.876 -6.429 1.00 0.00 C ATOM 0 H LEU A 20 -2.674 -1.544 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.770 1.186 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.069 0.649 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.808 2.063 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.166 -0.596 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.500 0.709 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.768 0.736 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.523 2.151 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.227 0.525 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.277 1.960 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.023 0.419 -7.391 1.00 0.00 H new ATOM 285 N SER A 21 -0.275 1.578 -7.723 1.00 0.00 N ATOM 286 CA SER A 21 1.171 1.672 -7.851 1.00 0.00 C ATOM 287 C SER A 21 1.703 2.908 -7.142 1.00 0.00 C ATOM 288 O SER A 21 1.357 4.034 -7.493 1.00 0.00 O ATOM 289 CB SER A 21 1.566 1.705 -9.328 1.00 0.00 C ATOM 290 OG SER A 21 1.186 0.511 -9.988 1.00 0.00 O ATOM 0 H SER A 21 -0.777 2.437 -7.947 1.00 0.00 H new ATOM 0 HA SER A 21 1.612 0.793 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.093 2.558 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.643 1.845 -9.416 1.00 0.00 H new ATOM 0 HG SER A 21 1.978 -0.046 -10.138 1.00 0.00 H new ATOM 296 N CYS A 22 2.554 2.693 -6.144 1.00 0.00 N ATOM 297 CA CYS A 22 3.133 3.801 -5.396 1.00 0.00 C ATOM 298 C CYS A 22 4.655 3.720 -5.398 1.00 0.00 C ATOM 299 O CYS A 22 5.234 2.667 -5.127 1.00 0.00 O ATOM 300 CB CYS A 22 2.597 3.826 -3.960 1.00 0.00 C ATOM 301 SG CYS A 22 3.207 2.475 -2.900 1.00 0.00 S ATOM 0 H CYS A 22 2.856 1.768 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 22 2.840 4.729 -5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.865 4.778 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.508 3.782 -3.992 1.00 0.00 H new ATOM 306 N ALA A 23 5.294 4.840 -5.714 1.00 0.00 N ATOM 307 CA ALA A 23 6.750 4.902 -5.762 1.00 0.00 C ATOM 308 C ALA A 23 7.318 5.563 -4.511 1.00 0.00 C ATOM 309 O ALA A 23 6.581 6.143 -3.713 1.00 0.00 O ATOM 310 CB ALA A 23 7.203 5.650 -7.007 1.00 0.00 C ATOM 0 H ALA A 23 4.827 5.718 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 23 7.130 3.881 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.292 5.690 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.839 5.133 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.803 6.664 -6.988 1.00 0.00 H new ATOM 316 N ALA A 24 8.633 5.470 -4.348 1.00 0.00 N ATOM 317 CA ALA A 24 9.305 6.058 -3.195 1.00 0.00 C ATOM 318 C ALA A 24 10.573 6.791 -3.616 1.00 0.00 C ATOM 319 O ALA A 24 11.587 6.168 -3.933 1.00 0.00 O ATOM 320 CB ALA A 24 9.629 4.981 -2.170 1.00 0.00 C ATOM 0 H ALA A 24 9.255 4.993 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 24 8.631 6.785 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.130 5.432 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.706 4.504 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.283 4.234 -2.621 1.00 0.00 H new ATOM 414 N TYR A 32 14.722 0.438 6.197 1.00 0.00 N ATOM 415 CA TYR A 32 13.404 0.956 5.954 1.00 0.00 C ATOM 416 C TYR A 32 12.699 0.179 4.843 1.00 0.00 C ATOM 417 O TYR A 32 13.262 -0.043 3.771 1.00 0.00 O ATOM 418 CB TYR A 32 13.510 2.434 5.584 1.00 0.00 C ATOM 419 CG TYR A 32 14.899 3.039 5.698 1.00 0.00 C ATOM 420 CD1 TYR A 32 15.824 2.920 4.666 1.00 0.00 C ATOM 421 CD2 TYR A 32 15.278 3.735 6.839 1.00 0.00 C ATOM 422 CE1 TYR A 32 17.084 3.477 4.770 1.00 0.00 C ATOM 423 CE2 TYR A 32 16.535 4.296 6.948 1.00 0.00 C ATOM 424 CZ TYR A 32 17.433 4.164 5.912 1.00 0.00 C ATOM 425 OH TYR A 32 18.687 4.721 6.018 1.00 0.00 O ATOM 0 HA TYR A 32 12.809 0.844 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.161 2.560 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.833 3.000 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 32 15.553 2.383 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.578 3.839 7.655 1.00 0.00 H new ATOM 0 HE1 TYR A 32 17.792 3.374 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 32 16.813 4.836 7.841 1.00 0.00 H new ATOM 0 HH TYR A 32 18.773 5.171 6.884 1.00 0.00 H new ATOM 435 N ASP A 33 11.462 -0.232 5.113 1.00 0.00 N ATOM 436 CA ASP A 33 10.672 -0.987 4.145 1.00 0.00 C ATOM 437 C ASP A 33 9.650 -0.087 3.454 1.00 0.00 C ATOM 438 O ASP A 33 9.664 1.131 3.634 1.00 0.00 O ATOM 439 CB ASP A 33 9.958 -2.147 4.841 1.00 0.00 C ATOM 440 CG ASP A 33 10.917 -3.038 5.607 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.082 -3.165 5.175 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.504 -3.607 6.638 1.00 0.00 O ATOM 0 H ASP A 33 10.985 -0.054 5.997 1.00 0.00 H new ATOM 0 HA ASP A 33 11.349 -1.383 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.208 -1.751 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.428 -2.742 4.098 1.00 0.00 H new ATOM 447 N MET A 34 8.765 -0.690 2.662 1.00 0.00 N ATOM 448 CA MET A 34 7.742 0.071 1.949 1.00 0.00 C ATOM 449 C MET A 34 6.427 -0.701 1.877 1.00 0.00 C ATOM 450 O MET A 34 6.387 -1.830 1.392 1.00 0.00 O ATOM 451 CB MET A 34 8.225 0.417 0.538 1.00 0.00 C ATOM 452 CG MET A 34 8.059 1.886 0.183 1.00 0.00 C ATOM 453 SD MET A 34 7.425 2.132 -1.487 1.00 0.00 S ATOM 454 CE MET A 34 8.787 1.501 -2.464 1.00 0.00 C ATOM 0 H MET A 34 8.736 -1.696 2.499 1.00 0.00 H new ATOM 0 HA MET A 34 7.564 0.993 2.503 1.00 0.00 H new ATOM 0 HB2 MET A 34 9.277 0.146 0.446 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.676 -0.187 -0.184 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.381 2.354 0.897 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.021 2.390 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.537 1.569 -3.523 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.682 2.090 -2.263 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.972 0.459 -2.201 1.00 0.00 H new ATOM 464 N GLY A 35 5.352 -0.084 2.362 1.00 0.00 N ATOM 465 CA GLY A 35 4.052 -0.733 2.341 1.00 0.00 C ATOM 466 C GLY A 35 2.903 0.249 2.214 1.00 0.00 C ATOM 467 O GLY A 35 3.083 1.454 2.393 1.00 0.00 O ATOM 0 H GLY A 35 5.358 0.852 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.016 -1.436 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.927 -1.314 3.255 1.00 0.00 H new ATOM 471 N TRP A 36 1.717 -0.270 1.902 1.00 0.00 N ATOM 472 CA TRP A 36 0.533 0.559 1.747 1.00 0.00 C ATOM 473 C TRP A 36 -0.235 0.676 3.055 1.00 0.00 C ATOM 474 O TRP A 36 -0.127 -0.179 3.936 1.00 0.00 O ATOM 475 CB TRP A 36 -0.371 -0.025 0.673 1.00 0.00 C ATOM 476 CG TRP A 36 0.192 0.084 -0.711 1.00 0.00 C ATOM 477 CD1 TRP A 36 1.228 -0.636 -1.233 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.250 0.964 -1.750 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.456 -0.259 -2.533 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.562 0.722 -2.875 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.254 1.932 -1.841 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.401 1.413 -4.072 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.413 2.618 -3.030 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.590 2.355 -4.133 1.00 0.00 C ATOM 0 H TRP A 36 1.555 -1.266 1.752 1.00 0.00 H new ATOM 0 HA TRP A 36 0.857 1.557 1.451 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.557 -1.075 0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.334 0.484 0.705 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.787 -1.392 -0.701 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.174 -0.646 -3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.894 2.140 -0.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.036 1.213 -4.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.185 3.369 -3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.741 2.906 -5.049 1.00 0.00 H new ATOM 495 N PHE A 37 -1.009 1.748 3.175 1.00 0.00 N ATOM 496 CA PHE A 37 -1.791 1.993 4.368 1.00 0.00 C ATOM 497 C PHE A 37 -3.198 2.459 4.011 1.00 0.00 C ATOM 498 O PHE A 37 -3.535 2.603 2.836 1.00 0.00 O ATOM 499 CB PHE A 37 -1.093 3.049 5.216 1.00 0.00 C ATOM 500 CG PHE A 37 -0.118 2.478 6.203 1.00 0.00 C ATOM 501 CD1 PHE A 37 1.039 1.850 5.771 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.357 2.571 7.565 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.939 1.323 6.679 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.538 2.046 8.477 1.00 0.00 C ATOM 505 CZ PHE A 37 1.687 1.421 8.034 1.00 0.00 C ATOM 0 H PHE A 37 -1.108 2.462 2.453 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.876 1.063 4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.568 3.742 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.845 3.627 5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.240 1.771 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.253 3.060 7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.837 0.836 6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.339 2.124 9.536 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.388 1.009 8.746 1.00 0.00 H new ATOM 515 N ARG A 38 -4.014 2.699 5.031 1.00 0.00 N ATOM 516 CA ARG A 38 -5.382 3.154 4.822 1.00 0.00 C ATOM 517 C ARG A 38 -5.869 3.966 6.017 1.00 0.00 C ATOM 518 O ARG A 38 -5.306 3.875 7.108 1.00 0.00 O ATOM 519 CB ARG A 38 -6.309 1.963 4.585 1.00 0.00 C ATOM 520 CG ARG A 38 -6.380 1.004 5.759 1.00 0.00 C ATOM 521 CD ARG A 38 -7.324 -0.154 5.479 1.00 0.00 C ATOM 522 NE ARG A 38 -8.724 0.266 5.487 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.725 -0.478 5.021 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.485 -1.681 4.512 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.968 -0.019 5.064 1.00 0.00 N ATOM 0 H ARG A 38 -3.752 2.586 6.010 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.397 3.793 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.311 2.331 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.970 1.420 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.384 0.618 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.714 1.540 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.083 -0.592 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.175 -0.932 6.227 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.947 1.184 5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.530 -2.039 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.255 -2.247 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.158 0.904 5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.735 -0.589 4.707 1.00 0.00 H new ATOM 539 N GLN A 39 -6.915 4.764 5.811 1.00 0.00 N ATOM 540 CA GLN A 39 -7.459 5.588 6.885 1.00 0.00 C ATOM 541 C GLN A 39 -8.838 6.132 6.527 1.00 0.00 C ATOM 542 O GLN A 39 -9.211 6.196 5.356 1.00 0.00 O ATOM 543 CB GLN A 39 -6.508 6.747 7.191 1.00 0.00 C ATOM 544 CG GLN A 39 -6.850 7.493 8.470 1.00 0.00 C ATOM 545 CD GLN A 39 -5.620 7.981 9.207 1.00 0.00 C ATOM 546 OE1 GLN A 39 -4.547 8.125 8.620 1.00 0.00 O ATOM 547 NE2 GLN A 39 -5.769 8.237 10.500 1.00 0.00 N ATOM 0 H GLN A 39 -7.398 4.856 4.918 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.562 4.958 7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.491 6.362 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.523 7.448 6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.487 8.344 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.426 6.839 9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.677 8.103 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.976 8.568 11.049 1.00 0.00 H new ATOM 556 N ALA A 40 -9.588 6.529 7.551 1.00 0.00 N ATOM 557 CA ALA A 40 -10.924 7.078 7.360 1.00 0.00 C ATOM 558 C ALA A 40 -11.125 8.312 8.235 1.00 0.00 C ATOM 559 O ALA A 40 -10.376 8.533 9.187 1.00 0.00 O ATOM 560 CB ALA A 40 -11.979 6.027 7.673 1.00 0.00 C ATOM 0 H ALA A 40 -9.290 6.480 8.525 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.029 7.375 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.972 6.453 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.849 5.172 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.873 5.703 8.708 1.00 0.00 H new ATOM 566 N PRO A 41 -12.137 9.141 7.926 1.00 0.00 N ATOM 567 CA PRO A 41 -12.415 10.355 8.696 1.00 0.00 C ATOM 568 C PRO A 41 -12.948 10.050 10.083 1.00 0.00 C ATOM 569 O PRO A 41 -13.774 9.156 10.264 1.00 0.00 O ATOM 570 CB PRO A 41 -13.464 11.084 7.855 1.00 0.00 C ATOM 571 CG PRO A 41 -14.133 10.008 7.069 1.00 0.00 C ATOM 572 CD PRO A 41 -13.080 8.965 6.807 1.00 0.00 C ATOM 0 HA PRO A 41 -11.514 10.944 8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.177 11.616 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.003 11.824 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.971 9.585 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.534 10.400 6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.504 7.961 6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.593 9.119 5.844 1.00 0.00 H new ATOM 580 N GLY A 42 -12.446 10.788 11.067 1.00 0.00 N ATOM 581 CA GLY A 42 -12.858 10.569 12.435 1.00 0.00 C ATOM 582 C GLY A 42 -12.339 9.250 12.973 1.00 0.00 C ATOM 583 O GLY A 42 -12.649 8.866 14.100 1.00 0.00 O ATOM 0 H GLY A 42 -11.761 11.533 10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.494 11.385 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.946 10.583 12.494 1.00 0.00 H new ATOM 587 N LYS A 43 -11.554 8.546 12.155 1.00 0.00 N ATOM 588 CA LYS A 43 -11.003 7.261 12.543 1.00 0.00 C ATOM 589 C LYS A 43 -9.483 7.330 12.664 1.00 0.00 C ATOM 590 O LYS A 43 -8.891 8.406 12.567 1.00 0.00 O ATOM 591 CB LYS A 43 -11.398 6.225 11.500 1.00 0.00 C ATOM 592 CG LYS A 43 -11.650 4.837 12.071 1.00 0.00 C ATOM 593 CD LYS A 43 -13.136 4.511 12.117 1.00 0.00 C ATOM 594 CE LYS A 43 -13.421 3.123 11.566 1.00 0.00 C ATOM 595 NZ LYS A 43 -14.800 2.667 11.894 1.00 0.00 N ATOM 0 H LYS A 43 -11.289 8.852 11.219 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.401 6.982 13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.298 6.565 10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.610 6.161 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.133 4.094 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.232 4.775 13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.492 4.575 13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.690 5.253 11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.288 3.128 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.698 2.416 11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.954 1.717 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.920 2.638 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.491 3.328 11.484 1.00 0.00 H new ATOM 609 N GLU A 44 -8.856 6.176 12.871 1.00 0.00 N ATOM 610 CA GLU A 44 -7.406 6.104 12.999 1.00 0.00 C ATOM 611 C GLU A 44 -6.776 5.578 11.714 1.00 0.00 C ATOM 612 O GLU A 44 -7.473 5.298 10.739 1.00 0.00 O ATOM 613 CB GLU A 44 -7.017 5.208 14.176 1.00 0.00 C ATOM 614 CG GLU A 44 -7.621 3.815 14.106 1.00 0.00 C ATOM 615 CD GLU A 44 -8.470 3.484 15.318 1.00 0.00 C ATOM 616 OE1 GLU A 44 -9.660 3.865 15.331 1.00 0.00 O ATOM 617 OE2 GLU A 44 -7.946 2.845 16.254 1.00 0.00 O ATOM 0 H GLU A 44 -9.331 5.277 12.954 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.032 7.111 13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.931 5.123 14.213 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.331 5.685 15.104 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.231 3.733 13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.821 3.080 14.016 1.00 0.00 H new ATOM 624 N ARG A 45 -5.454 5.445 11.718 1.00 0.00 N ATOM 625 CA ARG A 45 -4.734 4.954 10.549 1.00 0.00 C ATOM 626 C ARG A 45 -4.311 3.498 10.733 1.00 0.00 C ATOM 627 O ARG A 45 -3.878 3.098 11.813 1.00 0.00 O ATOM 628 CB ARG A 45 -3.508 5.831 10.272 1.00 0.00 C ATOM 629 CG ARG A 45 -2.311 5.521 11.159 1.00 0.00 C ATOM 630 CD ARG A 45 -1.316 6.669 11.175 1.00 0.00 C ATOM 631 NE ARG A 45 -0.377 6.563 12.289 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.665 6.924 13.538 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.860 7.420 13.835 1.00 0.00 N ATOM 634 NH2 ARG A 45 0.245 6.788 14.492 1.00 0.00 N ATOM 0 H ARG A 45 -4.860 5.670 12.516 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.407 5.005 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.215 5.709 9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.785 6.877 10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.652 5.320 12.175 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.818 4.616 10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.764 6.683 10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.854 7.614 11.243 1.00 0.00 H new ATOM 0 HE ARG A 45 0.553 6.191 12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.564 7.526 13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.074 7.695 14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.165 6.407 14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.026 7.064 15.449 1.00 0.00 H new ATOM 648 N GLU A 46 -4.432 2.715 9.666 1.00 0.00 N ATOM 649 CA GLU A 46 -4.055 1.308 9.701 1.00 0.00 C ATOM 650 C GLU A 46 -3.374 0.912 8.396 1.00 0.00 C ATOM 651 O GLU A 46 -3.700 1.440 7.334 1.00 0.00 O ATOM 652 CB GLU A 46 -5.286 0.433 9.951 1.00 0.00 C ATOM 653 CG GLU A 46 -6.248 0.372 8.777 1.00 0.00 C ATOM 654 CD GLU A 46 -7.438 -0.529 9.044 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.331 -1.408 9.925 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.477 -0.356 8.373 1.00 0.00 O ATOM 0 H GLU A 46 -4.789 3.033 8.765 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.352 1.155 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.958 -0.578 10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.817 0.812 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.602 1.377 8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.717 0.014 7.895 1.00 0.00 H new ATOM 663 N SER A 47 -2.421 -0.007 8.478 1.00 0.00 N ATOM 664 CA SER A 47 -1.695 -0.451 7.304 1.00 0.00 C ATOM 665 C SER A 47 -2.456 -1.537 6.560 1.00 0.00 C ATOM 666 O SER A 47 -3.504 -2.004 7.006 1.00 0.00 O ATOM 667 CB SER A 47 -0.311 -0.964 7.699 1.00 0.00 C ATOM 668 OG SER A 47 0.559 -1.002 6.581 1.00 0.00 O ATOM 0 H SER A 47 -2.135 -0.457 9.347 1.00 0.00 H new ATOM 0 HA SER A 47 -1.585 0.405 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.112 -0.321 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.399 -1.962 8.129 1.00 0.00 H new ATOM 0 HG SER A 47 0.871 -0.095 6.378 1.00 0.00 H new ATOM 674 N VAL A 48 -1.910 -1.928 5.422 1.00 0.00 N ATOM 675 CA VAL A 48 -2.513 -2.960 4.587 1.00 0.00 C ATOM 676 C VAL A 48 -1.483 -4.014 4.202 1.00 0.00 C ATOM 677 O VAL A 48 -1.660 -5.202 4.475 1.00 0.00 O ATOM 678 CB VAL A 48 -3.122 -2.370 3.304 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.172 -3.308 2.730 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.714 -0.991 3.563 1.00 0.00 C ATOM 0 H VAL A 48 -1.042 -1.544 5.050 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.308 -3.418 5.176 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.323 -2.259 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.591 -2.873 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.712 -4.268 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.966 -3.457 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.138 -0.597 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.497 -1.067 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.932 -0.320 3.918 1.00 0.00 H new ATOM 690 N ALA A 49 -0.405 -3.569 3.570 1.00 0.00 N ATOM 691 CA ALA A 49 0.661 -4.466 3.148 1.00 0.00 C ATOM 692 C ALA A 49 2.006 -3.750 3.164 1.00 0.00 C ATOM 693 O ALA A 49 2.065 -2.523 3.098 1.00 0.00 O ATOM 694 CB ALA A 49 0.369 -5.021 1.762 1.00 0.00 C ATOM 0 H ALA A 49 -0.246 -2.589 3.338 1.00 0.00 H new ATOM 0 HA ALA A 49 0.709 -5.297 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.175 -5.690 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.571 -5.572 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.294 -4.200 1.050 1.00 0.00 H new ATOM 700 N ALA A 50 3.086 -4.519 3.254 1.00 0.00 N ATOM 701 CA ALA A 50 4.424 -3.943 3.279 1.00 0.00 C ATOM 702 C ALA A 50 5.476 -4.958 2.854 1.00 0.00 C ATOM 703 O ALA A 50 5.404 -6.132 3.209 1.00 0.00 O ATOM 704 CB ALA A 50 4.741 -3.407 4.666 1.00 0.00 C ATOM 0 H ALA A 50 3.061 -5.537 3.311 1.00 0.00 H new ATOM 0 HA ALA A 50 4.446 -3.120 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.744 -2.980 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.017 -2.637 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.690 -4.220 5.391 1.00 0.00 H new ATOM 710 N ILE A 51 6.459 -4.490 2.096 1.00 0.00 N ATOM 711 CA ILE A 51 7.536 -5.348 1.624 1.00 0.00 C ATOM 712 C ILE A 51 8.887 -4.832 2.099 1.00 0.00 C ATOM 713 O ILE A 51 9.136 -3.624 2.112 1.00 0.00 O ATOM 714 CB ILE A 51 7.543 -5.451 0.086 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.663 -6.382 -0.387 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.689 -4.072 -0.542 1.00 0.00 C ATOM 717 CD1 ILE A 51 8.441 -7.833 -0.015 1.00 0.00 C ATOM 0 H ILE A 51 6.532 -3.518 1.795 1.00 0.00 H new ATOM 0 HA ILE A 51 7.361 -6.340 2.040 1.00 0.00 H new ATOM 0 HB ILE A 51 6.590 -5.873 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.757 -6.303 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.608 -6.046 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.692 -4.165 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.855 -3.442 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.625 -3.620 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.273 -8.434 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.377 -7.925 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.513 -8.186 -0.464 1.00 0.00 H new ATOM 729 N ASN A 52 9.752 -5.757 2.492 1.00 0.00 N ATOM 730 CA ASN A 52 11.074 -5.415 2.972 1.00 0.00 C ATOM 731 C ASN A 52 11.971 -4.966 1.824 1.00 0.00 C ATOM 732 O ASN A 52 11.726 -5.300 0.665 1.00 0.00 O ATOM 733 CB ASN A 52 11.686 -6.621 3.675 1.00 0.00 C ATOM 734 CG ASN A 52 10.693 -7.349 4.562 1.00 0.00 C ATOM 735 OD1 ASN A 52 9.730 -6.757 5.051 1.00 0.00 O ATOM 736 ND2 ASN A 52 10.923 -8.639 4.774 1.00 0.00 N ATOM 0 H ASN A 52 9.554 -6.758 2.485 1.00 0.00 H new ATOM 0 HA ASN A 52 10.988 -4.587 3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.075 -7.313 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.533 -6.294 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.289 -9.180 5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.733 -9.089 4.349 1.00 0.00 H new ATOM 800 N ARG A 57 10.523 -11.353 2.053 1.00 0.00 N ATOM 801 CA ARG A 57 9.237 -11.543 2.716 1.00 0.00 C ATOM 802 C ARG A 57 8.411 -10.259 2.702 1.00 0.00 C ATOM 803 O ARG A 57 8.956 -9.153 2.722 1.00 0.00 O ATOM 804 CB ARG A 57 9.448 -12.011 4.157 1.00 0.00 C ATOM 805 CG ARG A 57 8.558 -13.177 4.555 1.00 0.00 C ATOM 806 CD ARG A 57 7.202 -12.701 5.052 1.00 0.00 C ATOM 807 NE ARG A 57 7.172 -12.550 6.506 1.00 0.00 N ATOM 808 CZ ARG A 57 7.355 -11.394 7.142 1.00 0.00 C ATOM 809 NH1 ARG A 57 7.580 -10.276 6.461 1.00 0.00 N ATOM 810 NH2 ARG A 57 7.311 -11.355 8.467 1.00 0.00 N ATOM 0 HA ARG A 57 8.688 -12.307 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.491 -12.300 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.262 -11.176 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.421 -13.839 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.048 -13.760 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.959 -11.747 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.434 -13.411 4.746 1.00 0.00 H new ATOM 0 HE ARG A 57 7.000 -13.383 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.614 -10.298 5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.719 -9.396 6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.137 -12.209 8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.451 -10.471 8.956 1.00 0.00 H new ATOM 824 N THR A 58 7.090 -10.417 2.672 1.00 0.00 N ATOM 825 CA THR A 58 6.179 -9.280 2.660 1.00 0.00 C ATOM 826 C THR A 58 5.301 -9.282 3.909 1.00 0.00 C ATOM 827 O THR A 58 5.439 -10.144 4.777 1.00 0.00 O ATOM 828 CB THR A 58 5.305 -9.310 1.404 1.00 0.00 C ATOM 829 OG1 THR A 58 5.795 -10.256 0.470 1.00 0.00 O ATOM 830 CG2 THR A 58 5.225 -7.973 0.701 1.00 0.00 C ATOM 0 H THR A 58 6.627 -11.326 2.656 1.00 0.00 H new ATOM 0 HA THR A 58 6.773 -8.366 2.654 1.00 0.00 H new ATOM 0 HB THR A 58 4.309 -9.582 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.221 -10.260 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.591 -8.063 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.802 -7.231 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.225 -7.661 0.399 1.00 0.00 H new ATOM 838 N TYR A 59 4.401 -8.311 3.991 1.00 0.00 N ATOM 839 CA TYR A 59 3.499 -8.194 5.130 1.00 0.00 C ATOM 840 C TYR A 59 2.085 -7.869 4.662 1.00 0.00 C ATOM 841 O TYR A 59 1.897 -7.117 3.706 1.00 0.00 O ATOM 842 CB TYR A 59 3.996 -7.109 6.089 1.00 0.00 C ATOM 843 CG TYR A 59 3.069 -6.854 7.257 1.00 0.00 C ATOM 844 CD1 TYR A 59 1.918 -6.091 7.101 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.345 -7.375 8.515 1.00 0.00 C ATOM 846 CE1 TYR A 59 1.069 -5.855 8.166 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.500 -7.144 9.585 1.00 0.00 C ATOM 848 CZ TYR A 59 1.364 -6.383 9.405 1.00 0.00 C ATOM 849 OH TYR A 59 0.521 -6.150 10.467 1.00 0.00 O ATOM 0 H TYR A 59 4.276 -7.591 3.280 1.00 0.00 H new ATOM 0 HA TYR A 59 3.481 -9.149 5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.976 -7.396 6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.130 -6.180 5.534 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.683 -5.676 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.234 -7.970 8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.179 -5.260 8.028 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.728 -7.557 10.556 1.00 0.00 H new ATOM 0 HH TYR A 59 0.873 -6.593 11.267 1.00 0.00 H new ATOM 859 N TYR A 60 1.095 -8.444 5.334 1.00 0.00 N ATOM 860 CA TYR A 60 -0.294 -8.221 4.982 1.00 0.00 C ATOM 861 C TYR A 60 -1.096 -7.751 6.193 1.00 0.00 C ATOM 862 O TYR A 60 -0.638 -7.854 7.331 1.00 0.00 O ATOM 863 CB TYR A 60 -0.890 -9.509 4.431 1.00 0.00 C ATOM 864 CG TYR A 60 -0.624 -9.719 2.958 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.794 -8.683 2.047 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.199 -10.951 2.479 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.548 -8.871 0.700 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.050 -11.147 1.133 1.00 0.00 C ATOM 869 CZ TYR A 60 -0.125 -10.104 0.249 1.00 0.00 C ATOM 870 OH TYR A 60 0.121 -10.295 -1.091 1.00 0.00 O ATOM 0 H TYR A 60 1.233 -9.070 6.128 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.340 -7.441 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.486 -10.354 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.967 -9.502 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.123 -7.716 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.061 -11.770 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.686 -8.057 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.380 -12.112 0.776 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.717 -10.515 -1.549 1.00 0.00 H new ATOM 880 N ALA A 61 -2.295 -7.238 5.939 1.00 0.00 N ATOM 881 CA ALA A 61 -3.162 -6.756 7.008 1.00 0.00 C ATOM 882 C ALA A 61 -4.390 -7.646 7.165 1.00 0.00 C ATOM 883 O ALA A 61 -4.689 -8.472 6.300 1.00 0.00 O ATOM 884 CB ALA A 61 -3.581 -5.319 6.738 1.00 0.00 C ATOM 0 H ALA A 61 -2.688 -7.145 5.003 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.600 -6.791 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.228 -4.971 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.695 -4.686 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.120 -5.269 5.792 1.00 0.00 H new ATOM 890 N SER A 62 -5.101 -7.475 8.274 1.00 0.00 N ATOM 891 CA SER A 62 -6.292 -8.266 8.542 1.00 0.00 C ATOM 892 C SER A 62 -7.417 -7.885 7.589 1.00 0.00 C ATOM 893 O SER A 62 -7.469 -6.760 7.092 1.00 0.00 O ATOM 894 CB SER A 62 -6.745 -8.078 9.991 1.00 0.00 C ATOM 895 OG SER A 62 -6.335 -6.819 10.495 1.00 0.00 O ATOM 0 H SER A 62 -4.872 -6.796 9.000 1.00 0.00 H new ATOM 0 HA SER A 62 -6.045 -9.316 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.830 -8.160 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.331 -8.873 10.611 1.00 0.00 H new ATOM 0 HG SER A 62 -5.431 -6.894 10.866 1.00 0.00 H new ATOM 901 N SER A 63 -8.301 -8.845 7.322 1.00 0.00 N ATOM 902 CA SER A 63 -9.425 -8.642 6.409 1.00 0.00 C ATOM 903 C SER A 63 -8.986 -8.856 4.961 1.00 0.00 C ATOM 904 O SER A 63 -9.816 -8.920 4.055 1.00 0.00 O ATOM 905 CB SER A 63 -10.029 -7.244 6.574 1.00 0.00 C ATOM 906 OG SER A 63 -11.443 -7.285 6.481 1.00 0.00 O ATOM 0 H SER A 63 -8.259 -9.779 7.729 1.00 0.00 H new ATOM 0 HA SER A 63 -10.191 -9.376 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.737 -6.830 7.539 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.630 -6.579 5.808 1.00 0.00 H new ATOM 0 HG SER A 63 -11.804 -6.381 6.591 1.00 0.00 H new ATOM 912 N VAL A 64 -7.674 -8.971 4.751 1.00 0.00 N ATOM 913 CA VAL A 64 -7.127 -9.183 3.418 1.00 0.00 C ATOM 914 C VAL A 64 -5.799 -9.938 3.478 1.00 0.00 C ATOM 915 O VAL A 64 -5.048 -9.965 2.503 1.00 0.00 O ATOM 916 CB VAL A 64 -6.914 -7.847 2.682 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.239 -7.127 2.488 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.928 -6.970 3.441 1.00 0.00 C ATOM 0 H VAL A 64 -6.973 -8.920 5.490 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.854 -9.781 2.869 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.494 -8.058 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.068 -6.185 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.910 -7.752 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.690 -6.927 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.790 -6.030 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.316 -6.766 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.971 -7.485 3.522 1.00 0.00 H new ATOM 928 N ARG A 65 -5.511 -10.549 4.628 1.00 0.00 N ATOM 929 CA ARG A 65 -4.286 -11.294 4.812 1.00 0.00 C ATOM 930 C ARG A 65 -4.309 -12.574 4.001 1.00 0.00 C ATOM 931 O ARG A 65 -4.567 -13.661 4.519 1.00 0.00 O ATOM 932 CB ARG A 65 -4.091 -11.603 6.291 1.00 0.00 C ATOM 933 CG ARG A 65 -2.638 -11.620 6.722 1.00 0.00 C ATOM 934 CD ARG A 65 -2.492 -11.987 8.191 1.00 0.00 C ATOM 935 NE ARG A 65 -1.601 -13.129 8.385 1.00 0.00 N ATOM 936 CZ ARG A 65 -1.568 -13.864 9.494 1.00 0.00 C ATOM 937 NH1 ARG A 65 -2.375 -13.582 10.510 1.00 0.00 N ATOM 938 NH2 ARG A 65 -0.726 -14.884 9.589 1.00 0.00 N ATOM 0 H ARG A 65 -6.121 -10.536 5.446 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.450 -10.689 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.628 -10.861 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.538 -12.572 6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.086 -12.334 6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.194 -10.640 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.107 -11.129 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.473 -12.218 8.606 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.967 -13.377 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.025 -12.799 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.345 -14.149 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.103 -15.105 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.701 -15.447 10.439 1.00 0.00 H new ATOM 952 N GLY A 66 -4.046 -12.420 2.719 1.00 0.00 N ATOM 953 CA GLY A 66 -4.040 -13.544 1.810 1.00 0.00 C ATOM 954 C GLY A 66 -4.905 -13.293 0.591 1.00 0.00 C ATOM 955 O GLY A 66 -5.066 -14.171 -0.257 1.00 0.00 O ATOM 0 H GLY A 66 -3.833 -11.523 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.017 -13.748 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.396 -14.433 2.330 1.00 0.00 H new ATOM 959 N ARG A 67 -5.467 -12.089 0.504 1.00 0.00 N ATOM 960 CA ARG A 67 -6.323 -11.726 -0.621 1.00 0.00 C ATOM 961 C ARG A 67 -5.665 -10.656 -1.486 1.00 0.00 C ATOM 962 O ARG A 67 -5.682 -10.741 -2.714 1.00 0.00 O ATOM 963 CB ARG A 67 -7.680 -11.231 -0.115 1.00 0.00 C ATOM 964 CG ARG A 67 -8.246 -12.067 1.022 1.00 0.00 C ATOM 965 CD ARG A 67 -9.732 -11.813 1.220 1.00 0.00 C ATOM 966 NE ARG A 67 -10.039 -11.404 2.589 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.263 -11.418 3.111 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.298 -11.818 2.382 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.453 -11.032 4.365 1.00 0.00 N ATOM 0 H ARG A 67 -5.345 -11.351 1.197 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.473 -12.615 -1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.579 -10.198 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.389 -11.230 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.082 -13.124 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.711 -11.837 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.063 -11.039 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.290 -12.718 0.978 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.269 -11.089 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.157 -12.117 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.234 -11.827 2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.661 -10.724 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.391 -11.043 4.765 1.00 0.00 H new ATOM 983 N PHE A 68 -5.086 -9.651 -0.839 1.00 0.00 N ATOM 984 CA PHE A 68 -4.421 -8.565 -1.550 1.00 0.00 C ATOM 985 C PHE A 68 -3.034 -8.996 -2.023 1.00 0.00 C ATOM 986 O PHE A 68 -2.315 -9.693 -1.309 1.00 0.00 O ATOM 987 CB PHE A 68 -4.310 -7.332 -0.647 1.00 0.00 C ATOM 988 CG PHE A 68 -5.591 -6.548 -0.516 1.00 0.00 C ATOM 989 CD1 PHE A 68 -6.816 -7.118 -0.836 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.567 -5.236 -0.070 1.00 0.00 C ATOM 991 CE1 PHE A 68 -7.987 -6.394 -0.715 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.736 -4.507 0.053 1.00 0.00 C ATOM 993 CZ PHE A 68 -7.948 -5.087 -0.269 1.00 0.00 C ATOM 0 H PHE A 68 -5.064 -9.565 0.177 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.019 -8.312 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.988 -7.649 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.533 -6.676 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.854 -8.140 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.623 -4.777 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.933 -6.850 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.701 -3.485 0.401 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.862 -4.520 -0.172 1.00 0.00 H new ATOM 1003 N THR A 69 -2.667 -8.581 -3.233 1.00 0.00 N ATOM 1004 CA THR A 69 -1.366 -8.930 -3.800 1.00 0.00 C ATOM 1005 C THR A 69 -0.419 -7.740 -3.775 1.00 0.00 C ATOM 1006 O THR A 69 -0.846 -6.587 -3.827 1.00 0.00 O ATOM 1007 CB THR A 69 -1.528 -9.442 -5.232 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.484 -10.486 -5.287 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.241 -9.966 -5.830 1.00 0.00 C ATOM 0 H THR A 69 -3.250 -8.004 -3.839 1.00 0.00 H new ATOM 0 HA THR A 69 -0.935 -9.721 -3.187 1.00 0.00 H new ATOM 0 HB THR A 69 -1.853 -8.578 -5.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.574 -10.799 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.427 -10.313 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.502 -9.169 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.130 -10.794 -5.226 1.00 0.00 H new ATOM 1017 N ILE A 70 0.870 -8.041 -3.683 1.00 0.00 N ATOM 1018 CA ILE A 70 1.906 -7.021 -3.629 1.00 0.00 C ATOM 1019 C ILE A 70 3.166 -7.496 -4.346 1.00 0.00 C ATOM 1020 O ILE A 70 3.585 -8.644 -4.190 1.00 0.00 O ATOM 1021 CB ILE A 70 2.221 -6.674 -2.164 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.182 -5.485 -2.063 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.765 -7.895 -1.437 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.577 -5.778 -2.556 1.00 0.00 C ATOM 0 H ILE A 70 1.225 -8.997 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 70 1.544 -6.126 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 70 1.293 -6.374 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.774 -4.652 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.236 -5.162 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.983 -7.634 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.023 -8.693 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.678 -8.233 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.195 -4.886 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.008 -6.589 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.538 -6.071 -3.605 1.00 0.00 H new ATOM 1036 N SER A 71 3.765 -6.608 -5.132 1.00 0.00 N ATOM 1037 CA SER A 71 4.977 -6.941 -5.873 1.00 0.00 C ATOM 1038 C SER A 71 5.699 -5.681 -6.339 1.00 0.00 C ATOM 1039 O SER A 71 5.067 -4.703 -6.738 1.00 0.00 O ATOM 1040 CB SER A 71 4.639 -7.822 -7.077 1.00 0.00 C ATOM 1041 OG SER A 71 4.162 -7.044 -8.161 1.00 0.00 O ATOM 0 H SER A 71 3.432 -5.654 -5.273 1.00 0.00 H new ATOM 0 HA SER A 71 5.639 -7.489 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.525 -8.377 -7.386 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.886 -8.557 -6.794 1.00 0.00 H new ATOM 0 HG SER A 71 3.955 -7.630 -8.918 1.00 0.00 H new ATOM 1047 N ARG A 72 7.026 -5.712 -6.286 1.00 0.00 N ATOM 1048 CA ARG A 72 7.838 -4.573 -6.702 1.00 0.00 C ATOM 1049 C ARG A 72 7.840 -4.430 -8.221 1.00 0.00 C ATOM 1050 O ARG A 72 7.447 -5.348 -8.941 1.00 0.00 O ATOM 1051 CB ARG A 72 9.273 -4.730 -6.191 1.00 0.00 C ATOM 1052 CG ARG A 72 9.359 -5.250 -4.764 1.00 0.00 C ATOM 1053 CD ARG A 72 10.789 -5.237 -4.248 1.00 0.00 C ATOM 1054 NE ARG A 72 11.656 -6.132 -5.013 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.380 -5.750 -6.063 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.347 -4.492 -6.486 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.140 -6.633 -6.697 1.00 0.00 N ATOM 0 H ARG A 72 7.564 -6.515 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 72 7.402 -3.672 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.812 -5.411 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.778 -3.765 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.732 -4.639 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.966 -6.266 -4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.183 -4.222 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.798 -5.532 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 72 11.709 -7.109 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.763 -3.808 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.906 -4.210 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.169 -7.602 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.696 -6.343 -7.502 1.00 0.00 H new ATOM 1071 N ASP A 73 8.287 -3.273 -8.702 1.00 0.00 N ATOM 1072 CA ASP A 73 8.342 -3.012 -10.136 1.00 0.00 C ATOM 1073 C ASP A 73 9.740 -3.278 -10.682 1.00 0.00 C ATOM 1074 O ASP A 73 9.900 -3.713 -11.822 1.00 0.00 O ATOM 1075 CB ASP A 73 7.934 -1.569 -10.431 1.00 0.00 C ATOM 1076 CG ASP A 73 7.830 -1.292 -11.918 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.540 -2.238 -12.680 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.038 -0.128 -12.321 1.00 0.00 O ATOM 0 H ASP A 73 8.616 -2.503 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 73 7.642 -3.687 -10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.975 -1.361 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.662 -0.890 -9.987 1.00 0.00 H new ATOM 1083 N ASN A 74 10.750 -3.011 -9.861 1.00 0.00 N ATOM 1084 CA ASN A 74 12.136 -3.221 -10.261 1.00 0.00 C ATOM 1085 C ASN A 74 12.486 -2.370 -11.479 1.00 0.00 C ATOM 1086 O ASN A 74 12.889 -2.889 -12.519 1.00 0.00 O ATOM 1087 CB ASN A 74 12.381 -4.700 -10.567 1.00 0.00 C ATOM 1088 CG ASN A 74 13.802 -5.128 -10.256 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.632 -4.315 -9.848 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.090 -6.409 -10.450 1.00 0.00 N ATOM 0 H ASN A 74 10.634 -2.649 -8.915 1.00 0.00 H new ATOM 0 HA ASN A 74 12.778 -2.918 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.686 -5.308 -9.987 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.169 -4.890 -11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.031 -6.755 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.371 -7.048 -10.789 1.00 0.00 H new ATOM 1097 N ALA A 75 12.329 -1.057 -11.340 1.00 0.00 N ATOM 1098 CA ALA A 75 12.628 -0.132 -12.426 1.00 0.00 C ATOM 1099 C ALA A 75 12.937 1.261 -11.890 1.00 0.00 C ATOM 1100 O ALA A 75 13.906 1.896 -12.306 1.00 0.00 O ATOM 1101 CB ALA A 75 11.466 -0.077 -13.407 1.00 0.00 C ATOM 0 H ALA A 75 11.996 -0.610 -10.485 1.00 0.00 H new ATOM 0 HA ALA A 75 13.513 -0.496 -12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.703 0.618 -14.213 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.293 -1.070 -13.823 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.568 0.261 -12.889 1.00 0.00 H new ATOM 1107 N LYS A 76 12.107 1.731 -10.965 1.00 0.00 N ATOM 1108 CA LYS A 76 12.292 3.050 -10.372 1.00 0.00 C ATOM 1109 C LYS A 76 11.989 3.023 -8.877 1.00 0.00 C ATOM 1110 O LYS A 76 11.563 4.025 -8.302 1.00 0.00 O ATOM 1111 CB LYS A 76 11.393 4.074 -11.067 1.00 0.00 C ATOM 1112 CG LYS A 76 9.932 3.655 -11.134 1.00 0.00 C ATOM 1113 CD LYS A 76 9.364 3.830 -12.534 1.00 0.00 C ATOM 1114 CE LYS A 76 8.959 5.272 -12.793 1.00 0.00 C ATOM 1115 NZ LYS A 76 8.075 5.394 -13.986 1.00 0.00 N ATOM 0 H LYS A 76 11.300 1.218 -10.610 1.00 0.00 H new ATOM 0 HA LYS A 76 13.334 3.339 -10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.466 5.026 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.761 4.241 -12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.837 2.613 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.350 4.247 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.106 3.521 -13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.499 3.179 -12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.444 5.668 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.852 5.880 -12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.821 6.392 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.575 5.040 -14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.211 4.835 -13.836 1.00 0.00 H new ATOM 1129 N LYS A 77 12.210 1.870 -8.252 1.00 0.00 N ATOM 1130 CA LYS A 77 11.960 1.715 -6.824 1.00 0.00 C ATOM 1131 C LYS A 77 10.485 1.943 -6.509 1.00 0.00 C ATOM 1132 O LYS A 77 10.138 2.788 -5.682 1.00 0.00 O ATOM 1133 CB LYS A 77 12.826 2.689 -6.021 1.00 0.00 C ATOM 1134 CG LYS A 77 14.254 2.821 -6.537 1.00 0.00 C ATOM 1135 CD LYS A 77 14.860 1.470 -6.900 1.00 0.00 C ATOM 1136 CE LYS A 77 14.774 0.483 -5.745 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.073 -0.774 -6.133 1.00 0.00 N ATOM 0 H LYS A 77 12.561 1.030 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 77 12.223 0.696 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.355 3.672 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.855 2.361 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.264 3.469 -7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.870 3.302 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.342 1.061 -7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.903 1.605 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.779 0.245 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.249 0.947 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.205 -0.876 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.828 -0.737 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.697 -1.588 -5.958 1.00 0.00 H new ATOM 1151 N THR A 78 9.621 1.188 -7.178 1.00 0.00 N ATOM 1152 CA THR A 78 8.182 1.310 -6.977 1.00 0.00 C ATOM 1153 C THR A 78 7.569 -0.026 -6.570 1.00 0.00 C ATOM 1154 O THR A 78 8.139 -1.088 -6.820 1.00 0.00 O ATOM 1155 CB THR A 78 7.513 1.825 -8.256 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.768 3.207 -8.433 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.010 1.631 -8.278 1.00 0.00 C ATOM 0 H THR A 78 9.892 0.484 -7.865 1.00 0.00 H new ATOM 0 HA THR A 78 8.012 2.023 -6.170 1.00 0.00 H new ATOM 0 HB THR A 78 7.947 1.232 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.334 3.517 -9.255 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.607 2.019 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.779 0.569 -8.196 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.562 2.165 -7.440 1.00 0.00 H new ATOM 1165 N VAL A 79 6.395 0.042 -5.952 1.00 0.00 N ATOM 1166 CA VAL A 79 5.687 -1.153 -5.520 1.00 0.00 C ATOM 1167 C VAL A 79 4.257 -1.154 -6.050 1.00 0.00 C ATOM 1168 O VAL A 79 3.614 -0.104 -6.139 1.00 0.00 O ATOM 1169 CB VAL A 79 5.662 -1.276 -3.989 1.00 0.00 C ATOM 1170 CG1 VAL A 79 7.071 -1.451 -3.443 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.985 -0.068 -3.364 1.00 0.00 C ATOM 0 H VAL A 79 5.914 0.916 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 79 6.226 -2.008 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 79 5.083 -2.161 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.032 -1.536 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.514 -2.354 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.677 -0.588 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.978 -0.175 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.530 0.836 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.960 0.004 -3.728 1.00 0.00 H new ATOM 1181 N TYR A 80 3.768 -2.338 -6.403 1.00 0.00 N ATOM 1182 CA TYR A 80 2.419 -2.483 -6.930 1.00 0.00 C ATOM 1183 C TYR A 80 1.628 -3.490 -6.103 1.00 0.00 C ATOM 1184 O TYR A 80 2.132 -4.563 -5.774 1.00 0.00 O ATOM 1185 CB TYR A 80 2.467 -2.938 -8.389 1.00 0.00 C ATOM 1186 CG TYR A 80 3.313 -2.068 -9.283 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.358 -0.696 -9.116 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.058 -2.631 -10.309 1.00 0.00 C ATOM 1189 CE1 TYR A 80 4.122 0.093 -9.946 1.00 0.00 C ATOM 1190 CE2 TYR A 80 4.824 -1.846 -11.142 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.850 -0.484 -10.954 1.00 0.00 C ATOM 1192 OH TYR A 80 5.613 0.306 -11.783 1.00 0.00 O ATOM 0 H TYR A 80 4.289 -3.212 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 80 1.923 -1.514 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.850 -3.958 -8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.451 -2.964 -8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.786 -0.237 -8.323 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.037 -3.701 -10.457 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.148 1.163 -9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.400 -2.297 -11.937 1.00 0.00 H new ATOM 0 HH TYR A 80 5.917 1.098 -11.292 1.00 0.00 H new ATOM 1202 N LEU A 81 0.387 -3.149 -5.773 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.455 -4.041 -4.989 1.00 0.00 C ATOM 1204 C LEU A 81 -1.794 -4.273 -5.684 1.00 0.00 C ATOM 1205 O LEU A 81 -2.542 -3.332 -5.954 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.647 -3.490 -3.565 1.00 0.00 C ATOM 1207 CG LEU A 81 -1.989 -2.808 -3.269 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.249 -2.777 -1.771 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.008 -1.400 -3.840 1.00 0.00 C ATOM 0 H LEU A 81 -0.055 -2.268 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 81 0.045 -5.006 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.520 -4.313 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.151 -2.774 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.782 -3.384 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.205 -2.290 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.276 -3.796 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.452 -2.223 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.967 -0.931 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.207 -0.814 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.864 -1.443 -4.920 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.079 -5.537 -5.977 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.313 -5.915 -6.645 1.00 0.00 C ATOM 1223 C GLN A 82 -4.341 -6.423 -5.639 1.00 0.00 C ATOM 1224 O GLN A 82 -4.267 -7.566 -5.187 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.016 -6.992 -7.677 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.896 -6.917 -8.914 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.628 -8.045 -9.890 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -4.415 -9.110 -9.794 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -2.725 -7.960 -10.722 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.464 -6.321 -5.759 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.729 -5.038 -7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.972 -6.913 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.140 -7.970 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.943 -6.944 -8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.733 -5.962 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.144 -7.123 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.558 -8.727 -11.373 1.00 0.00 H new ATOM 1238 N MET A 83 -5.294 -5.567 -5.287 1.00 0.00 N ATOM 1239 CA MET A 83 -6.327 -5.928 -4.327 1.00 0.00 C ATOM 1240 C MET A 83 -7.514 -6.591 -5.018 1.00 0.00 C ATOM 1241 O MET A 83 -8.411 -5.911 -5.517 1.00 0.00 O ATOM 1242 CB MET A 83 -6.789 -4.686 -3.568 1.00 0.00 C ATOM 1243 CG MET A 83 -5.650 -3.768 -3.169 1.00 0.00 C ATOM 1244 SD MET A 83 -5.969 -2.040 -3.568 1.00 0.00 S ATOM 1245 CE MET A 83 -6.105 -2.132 -5.351 1.00 0.00 C ATOM 0 H MET A 83 -5.371 -4.618 -5.653 1.00 0.00 H new ATOM 0 HA MET A 83 -5.903 -6.644 -3.623 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.493 -4.131 -4.188 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.328 -4.996 -2.672 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.473 -3.861 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.738 -4.089 -3.672 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.459 -1.177 -5.739 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.128 -2.358 -5.779 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.811 -2.917 -5.622 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.516 -7.920 -5.043 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.593 -8.667 -5.670 1.00 0.00 C ATOM 1257 C ASN A 84 -9.732 -8.902 -4.688 1.00 0.00 C ATOM 1258 O ASN A 84 -9.629 -8.561 -3.510 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.092 -10.012 -6.206 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.578 -10.132 -6.224 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.918 -9.959 -5.199 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.021 -10.432 -7.392 1.00 0.00 N ATOM 0 H ASN A 84 -6.782 -8.499 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.961 -8.071 -6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.505 -10.814 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.472 -10.155 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.008 -10.528 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.606 -10.567 -8.216 1.00 0.00 H new ATOM 1269 N SER A 85 -10.815 -9.496 -5.188 1.00 0.00 N ATOM 1270 CA SER A 85 -11.993 -9.796 -4.371 1.00 0.00 C ATOM 1271 C SER A 85 -12.229 -8.729 -3.302 1.00 0.00 C ATOM 1272 O SER A 85 -12.436 -9.044 -2.130 1.00 0.00 O ATOM 1273 CB SER A 85 -11.837 -11.166 -3.712 1.00 0.00 C ATOM 1274 OG SER A 85 -13.087 -11.824 -3.598 1.00 0.00 O ATOM 0 H SER A 85 -10.902 -9.782 -6.163 1.00 0.00 H new ATOM 0 HA SER A 85 -12.860 -9.803 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.152 -11.779 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.393 -11.049 -2.723 1.00 0.00 H new ATOM 0 HG SER A 85 -12.959 -12.699 -3.175 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.193 -7.466 -3.714 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.397 -6.355 -2.792 1.00 0.00 C ATOM 1282 C LEU A 86 -13.708 -6.511 -2.030 1.00 0.00 C ATOM 1283 O LEU A 86 -14.571 -7.302 -2.411 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.380 -5.023 -3.548 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.324 -4.024 -3.069 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.057 -4.142 -3.905 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.869 -2.604 -3.118 1.00 0.00 C ATOM 0 H LEU A 86 -12.024 -7.187 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.580 -6.361 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.215 -5.225 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.363 -4.560 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.074 -4.259 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.318 -3.424 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.655 -5.151 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.290 -3.936 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.104 -1.908 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.150 -2.357 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.745 -2.528 -2.473 1.00 0.00 H new ATOM 1299 N LYS A 87 -13.846 -5.751 -0.952 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.052 -5.801 -0.130 1.00 0.00 C ATOM 1301 C LYS A 87 -15.614 -4.400 0.094 1.00 0.00 C ATOM 1302 O LYS A 87 -14.929 -3.404 -0.140 1.00 0.00 O ATOM 1303 CB LYS A 87 -14.768 -6.475 1.220 1.00 0.00 C ATOM 1304 CG LYS A 87 -13.346 -6.283 1.731 1.00 0.00 C ATOM 1305 CD LYS A 87 -12.550 -7.579 1.670 1.00 0.00 C ATOM 1306 CE LYS A 87 -11.594 -7.594 0.488 1.00 0.00 C ATOM 1307 NZ LYS A 87 -10.715 -8.796 0.497 1.00 0.00 N ATOM 0 H LYS A 87 -13.139 -5.092 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.794 -6.394 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.464 -6.083 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.967 -7.543 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.845 -5.519 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.374 -5.920 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.988 -7.705 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.235 -8.424 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.165 -7.569 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.979 -6.695 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.811 -8.569 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.538 -9.089 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.181 -9.571 -0.017 1.00 0.00 H new ATOM 1321 N PRO A 88 -16.877 -4.302 0.550 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.528 -3.011 0.799 1.00 0.00 C ATOM 1323 C PRO A 88 -16.996 -2.300 2.041 1.00 0.00 C ATOM 1324 O PRO A 88 -17.521 -1.260 2.442 1.00 0.00 O ATOM 1325 CB PRO A 88 -18.997 -3.392 0.990 1.00 0.00 C ATOM 1326 CG PRO A 88 -18.957 -4.787 1.507 1.00 0.00 C ATOM 1327 CD PRO A 88 -17.771 -5.439 0.849 1.00 0.00 C ATOM 0 HA PRO A 88 -17.350 -2.308 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.492 -2.722 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.548 -3.332 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.856 -4.798 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.878 -5.319 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.293 -6.163 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.058 -5.974 -0.057 1.00 0.00 H new ATOM 1335 N GLU A 89 -15.953 -2.858 2.644 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.353 -2.269 3.835 1.00 0.00 C ATOM 1337 C GLU A 89 -13.951 -1.733 3.543 1.00 0.00 C ATOM 1338 O GLU A 89 -13.289 -1.196 4.431 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.291 -3.302 4.962 1.00 0.00 C ATOM 1340 CG GLU A 89 -16.645 -3.610 5.580 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.128 -2.510 6.504 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -16.284 -1.723 6.982 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -18.350 -2.434 6.750 1.00 0.00 O ATOM 0 H GLU A 89 -15.505 -3.718 2.328 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.979 -1.433 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.859 -4.225 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.620 -2.939 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.377 -3.760 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.582 -4.545 6.136 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.502 -1.877 2.297 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.181 -1.401 1.903 1.00 0.00 C ATOM 1352 C ASP A 90 -12.216 0.080 1.525 1.00 0.00 C ATOM 1353 O ASP A 90 -11.171 0.713 1.376 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.644 -2.226 0.730 1.00 0.00 C ATOM 1355 CG ASP A 90 -10.915 -3.474 1.185 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.260 -3.427 2.248 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -10.999 -4.499 0.477 1.00 0.00 O ATOM 0 H ASP A 90 -14.033 -2.318 1.546 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.516 -1.520 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.472 -2.509 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.968 -1.610 0.136 1.00 0.00 H new ATOM 1362 N THR A 91 -13.421 0.631 1.373 1.00 0.00 N ATOM 1363 CA THR A 91 -13.584 2.030 1.017 1.00 0.00 C ATOM 1364 C THR A 91 -12.866 2.935 2.014 1.00 0.00 C ATOM 1365 O THR A 91 -13.347 3.154 3.126 1.00 0.00 O ATOM 1366 CB THR A 91 -15.071 2.363 0.977 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.735 1.548 0.029 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.363 3.808 0.633 1.00 0.00 C ATOM 0 H THR A 91 -14.297 0.123 1.493 1.00 0.00 H new ATOM 0 HA THR A 91 -13.142 2.200 0.035 1.00 0.00 H new ATOM 0 HB THR A 91 -15.435 2.177 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.689 1.772 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.441 3.969 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.905 4.459 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.953 4.038 -0.351 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.710 3.457 1.612 1.00 0.00 N ATOM 1377 CA ALA A 92 -10.932 4.335 2.481 1.00 0.00 C ATOM 1378 C ALA A 92 -9.775 4.986 1.730 1.00 0.00 C ATOM 1379 O ALA A 92 -9.534 4.689 0.560 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.411 3.558 3.680 1.00 0.00 C ATOM 0 H ALA A 92 -11.294 3.289 0.696 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.591 5.130 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.832 4.223 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.251 3.152 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.776 2.742 3.336 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.060 5.875 2.416 1.00 0.00 N ATOM 1387 CA VAL A 93 -7.927 6.569 1.825 1.00 0.00 C ATOM 1388 C VAL A 93 -6.675 5.693 1.844 1.00 0.00 C ATOM 1389 O VAL A 93 -6.059 5.493 2.888 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.662 7.897 2.563 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.028 7.663 3.928 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -6.801 8.820 1.714 1.00 0.00 C ATOM 0 H VAL A 93 -9.249 6.130 3.385 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.172 6.788 0.786 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.624 8.381 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.856 8.621 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.696 7.057 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.078 7.143 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.626 9.751 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.847 8.337 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.313 9.034 0.776 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.307 5.164 0.681 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.143 4.309 0.568 1.00 0.00 C ATOM 1404 C TYR A 94 -3.877 5.143 0.401 1.00 0.00 C ATOM 1405 O TYR A 94 -3.624 5.698 -0.668 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.321 3.368 -0.620 1.00 0.00 C ATOM 1407 CG TYR A 94 -5.977 2.053 -0.263 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -5.237 1.003 0.265 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -7.340 1.865 -0.454 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -5.838 -0.199 0.592 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -7.948 0.667 -0.129 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.193 -0.362 0.393 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.796 -1.558 0.718 1.00 0.00 O ATOM 0 H TYR A 94 -6.804 5.317 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.041 3.722 1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.920 3.868 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.345 3.168 -1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.176 1.127 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.935 2.668 -0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.249 -1.006 1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.009 0.538 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.754 -1.507 0.517 1.00 0.00 H new ATOM 1423 N THR A 95 -3.089 5.234 1.466 1.00 0.00 N ATOM 1424 CA THR A 95 -1.855 6.010 1.436 1.00 0.00 C ATOM 1425 C THR A 95 -0.633 5.102 1.508 1.00 0.00 C ATOM 1426 O THR A 95 -0.519 4.267 2.404 1.00 0.00 O ATOM 1427 CB THR A 95 -1.829 7.011 2.592 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.021 7.776 2.620 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.666 7.976 2.523 1.00 0.00 C ATOM 0 H THR A 95 -3.282 4.781 2.359 1.00 0.00 H new ATOM 0 HA THR A 95 -1.823 6.553 0.491 1.00 0.00 H new ATOM 0 HB THR A 95 -1.726 6.407 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.986 8.409 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.708 8.658 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.271 7.419 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.722 8.547 1.596 1.00 0.00 H new ATOM 1437 N CYS A 96 0.281 5.277 0.560 1.00 0.00 N ATOM 1438 CA CYS A 96 1.499 4.479 0.517 1.00 0.00 C ATOM 1439 C CYS A 96 2.535 5.034 1.488 1.00 0.00 C ATOM 1440 O CYS A 96 2.854 6.223 1.458 1.00 0.00 O ATOM 1441 CB CYS A 96 2.070 4.456 -0.902 1.00 0.00 C ATOM 1442 SG CYS A 96 3.520 3.371 -1.105 1.00 0.00 S ATOM 0 H CYS A 96 0.201 5.965 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 96 1.253 3.460 0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.289 4.133 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.347 5.471 -1.187 1.00 0.00 H new ATOM 1447 N GLY A 97 3.055 4.168 2.351 1.00 0.00 N ATOM 1448 CA GLY A 97 4.046 4.594 3.320 1.00 0.00 C ATOM 1449 C GLY A 97 5.286 3.725 3.300 1.00 0.00 C ATOM 1450 O GLY A 97 5.397 2.806 2.488 1.00 0.00 O ATOM 0 H GLY A 97 2.808 3.179 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.327 5.627 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.607 4.573 4.317 1.00 0.00 H new ATOM 1454 N ALA A 98 6.222 4.016 4.196 1.00 0.00 N ATOM 1455 CA ALA A 98 7.462 3.256 4.279 1.00 0.00 C ATOM 1456 C ALA A 98 7.951 3.154 5.719 1.00 0.00 C ATOM 1457 O ALA A 98 7.745 4.065 6.522 1.00 0.00 O ATOM 1458 CB ALA A 98 8.529 3.889 3.398 1.00 0.00 C ATOM 0 H ALA A 98 6.145 4.773 4.875 1.00 0.00 H new ATOM 0 HA ALA A 98 7.264 2.246 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.450 3.311 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.187 3.900 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.715 4.911 3.729 1.00 0.00 H new ATOM 1464 N GLY A 99 8.601 2.039 6.038 1.00 0.00 N ATOM 1465 CA GLY A 99 9.111 1.836 7.381 1.00 0.00 C ATOM 1466 C GLY A 99 10.404 2.588 7.627 1.00 0.00 C ATOM 1467 O GLY A 99 10.811 3.417 6.814 1.00 0.00 O ATOM 0 H GLY A 99 8.783 1.273 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.362 2.160 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.276 0.771 7.547 1.00 0.00 H new ATOM 1471 N GLU A 100 11.049 2.301 8.754 1.00 0.00 N ATOM 1472 CA GLU A 100 12.301 2.957 9.105 1.00 0.00 C ATOM 1473 C GLU A 100 12.924 2.315 10.342 1.00 0.00 C ATOM 1474 O GLU A 100 12.514 2.590 11.470 1.00 0.00 O ATOM 1475 CB GLU A 100 12.061 4.444 9.353 1.00 0.00 C ATOM 1476 CG GLU A 100 12.307 5.313 8.129 1.00 0.00 C ATOM 1477 CD GLU A 100 13.391 6.349 8.355 1.00 0.00 C ATOM 1478 OE1 GLU A 100 13.514 6.840 9.497 1.00 0.00 O ATOM 1479 OE2 GLU A 100 14.117 6.668 7.391 1.00 0.00 O ATOM 0 H GLU A 100 10.724 1.618 9.439 1.00 0.00 H new ATOM 0 HA GLU A 100 12.994 2.840 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.034 4.587 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.710 4.778 10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.586 4.678 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.380 5.817 7.854 1.00 0.00 H new ATOM 1486 N GLY A 101 13.916 1.459 10.121 1.00 0.00 N ATOM 1487 CA GLY A 101 14.580 0.791 11.220 1.00 0.00 C ATOM 1488 C GLY A 101 13.633 -0.049 12.054 1.00 0.00 C ATOM 1489 O GLY A 101 13.943 -0.399 13.192 1.00 0.00 O ATOM 0 H GLY A 101 14.271 1.217 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.373 0.155 10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.056 1.536 11.858 1.00 0.00 H new ATOM 1493 N GLY A 102 12.474 -0.373 11.488 1.00 0.00 N ATOM 1494 CA GLY A 102 11.497 -1.173 12.203 1.00 0.00 C ATOM 1495 C GLY A 102 10.200 -0.427 12.443 1.00 0.00 C ATOM 1496 O GLY A 102 9.161 -1.039 12.690 1.00 0.00 O ATOM 0 H GLY A 102 12.195 -0.096 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.291 -2.081 11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.916 -1.483 13.160 1.00 0.00 H new ATOM 1500 N THR A 103 10.260 0.899 12.373 1.00 0.00 N ATOM 1501 CA THR A 103 9.090 1.732 12.584 1.00 0.00 C ATOM 1502 C THR A 103 8.473 2.133 11.246 1.00 0.00 C ATOM 1503 O THR A 103 8.970 1.753 10.187 1.00 0.00 O ATOM 1504 CB THR A 103 9.500 2.972 13.371 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.391 2.628 14.417 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.339 3.722 13.990 1.00 0.00 C ATOM 0 H THR A 103 11.114 1.419 12.170 1.00 0.00 H new ATOM 0 HA THR A 103 8.343 1.173 13.147 1.00 0.00 H new ATOM 0 HB THR A 103 9.973 3.624 12.637 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.645 3.436 14.910 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.714 4.590 14.532 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.658 4.051 13.205 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.808 3.066 14.679 1.00 0.00 H new ATOM 1514 N TRP A 104 7.393 2.903 11.299 1.00 0.00 N ATOM 1515 CA TRP A 104 6.716 3.355 10.088 1.00 0.00 C ATOM 1516 C TRP A 104 6.144 4.755 10.274 1.00 0.00 C ATOM 1517 O TRP A 104 5.105 4.934 10.908 1.00 0.00 O ATOM 1518 CB TRP A 104 5.600 2.381 9.707 1.00 0.00 C ATOM 1519 CG TRP A 104 6.104 1.018 9.349 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.495 0.037 10.214 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.277 0.485 8.031 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.898 -1.075 9.514 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.774 -0.824 8.172 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.059 0.988 6.745 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.056 -1.636 7.076 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.340 0.181 5.658 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.833 -1.118 5.830 1.00 0.00 C ATOM 0 H TRP A 104 6.967 3.228 12.167 1.00 0.00 H new ATOM 0 HA TRP A 104 7.450 3.387 9.283 1.00 0.00 H new ATOM 0 HB2 TRP A 104 4.901 2.296 10.539 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.043 2.789 8.863 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.489 0.122 11.291 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.235 -1.945 9.926 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.678 1.989 6.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.437 -2.638 7.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.176 0.559 4.660 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.042 -1.724 4.961 1.00 0.00 H new ATOM 1538 N ASP A 105 6.832 5.746 9.716 1.00 0.00 N ATOM 1539 CA ASP A 105 6.395 7.132 9.819 1.00 0.00 C ATOM 1540 C ASP A 105 6.491 7.846 8.471 1.00 0.00 C ATOM 1541 O ASP A 105 6.441 9.074 8.405 1.00 0.00 O ATOM 1542 CB ASP A 105 7.224 7.866 10.865 1.00 0.00 C ATOM 1543 CG ASP A 105 6.756 9.292 11.086 1.00 0.00 C ATOM 1544 OD1 ASP A 105 5.564 9.482 11.406 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.582 10.217 10.939 1.00 0.00 O ATOM 0 H ASP A 105 7.695 5.614 9.188 1.00 0.00 H new ATOM 0 HA ASP A 105 5.349 7.135 10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.176 7.322 11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.269 7.875 10.554 1.00 0.00 H new ATOM 1550 N SER A 106 6.626 7.072 7.396 1.00 0.00 N ATOM 1551 CA SER A 106 6.724 7.638 6.056 1.00 0.00 C ATOM 1552 C SER A 106 5.429 7.414 5.281 1.00 0.00 C ATOM 1553 O SER A 106 4.883 6.311 5.272 1.00 0.00 O ATOM 1554 CB SER A 106 7.900 7.015 5.301 1.00 0.00 C ATOM 1555 OG SER A 106 8.909 7.976 5.046 1.00 0.00 O ATOM 0 H SER A 106 6.670 6.053 7.428 1.00 0.00 H new ATOM 0 HA SER A 106 6.892 8.711 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.316 6.193 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.549 6.593 4.359 1.00 0.00 H new ATOM 0 HG SER A 106 9.650 7.552 4.564 1.00 0.00 H new ATOM 1561 N TRP A 107 4.941 8.468 4.633 1.00 0.00 N ATOM 1562 CA TRP A 107 3.709 8.383 3.857 1.00 0.00 C ATOM 1563 C TRP A 107 3.858 9.094 2.517 1.00 0.00 C ATOM 1564 O TRP A 107 4.762 9.909 2.331 1.00 0.00 O ATOM 1565 CB TRP A 107 2.542 8.992 4.638 1.00 0.00 C ATOM 1566 CG TRP A 107 2.527 8.608 6.085 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.217 9.209 7.096 1.00 0.00 C ATOM 1568 CD2 TRP A 107 1.786 7.539 6.683 1.00 0.00 C ATOM 1569 NE1 TRP A 107 2.952 8.579 8.288 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.076 7.550 8.060 1.00 0.00 C ATOM 1571 CE3 TRP A 107 0.905 6.574 6.187 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 1.516 6.633 8.946 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.350 5.665 7.067 1.00 0.00 C ATOM 1574 CH2 TRP A 107 0.657 5.700 8.434 1.00 0.00 C ATOM 0 H TRP A 107 5.379 9.389 4.630 1.00 0.00 H new ATOM 0 HA TRP A 107 3.503 7.329 3.671 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.590 10.078 4.559 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.605 8.680 4.178 1.00 0.00 H new ATOM 0 HD1 TRP A 107 3.876 10.057 6.977 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.343 8.835 9.194 1.00 0.00 H new ATOM 0 HE3 TRP A 107 0.663 6.540 5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 1.752 6.658 10.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -0.332 4.915 6.695 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.206 4.976 9.096 1.00 0.00 H new ATOM 1585 N GLY A 108 2.962 8.781 1.587 1.00 0.00 N ATOM 1586 CA GLY A 108 3.008 9.398 0.274 1.00 0.00 C ATOM 1587 C GLY A 108 1.942 10.461 0.095 1.00 0.00 C ATOM 1588 O GLY A 108 1.703 11.267 0.995 1.00 0.00 O ATOM 0 H GLY A 108 2.204 8.111 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.991 9.844 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.883 8.630 -0.489 1.00 0.00 H new ATOM 1592 N GLN A 109 1.299 10.464 -1.068 1.00 0.00 N ATOM 1593 CA GLN A 109 0.253 11.437 -1.359 1.00 0.00 C ATOM 1594 C GLN A 109 -1.102 10.942 -0.865 1.00 0.00 C ATOM 1595 O GLN A 109 -1.814 11.655 -0.158 1.00 0.00 O ATOM 1596 CB GLN A 109 0.189 11.718 -2.861 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.631 12.948 -3.213 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.259 13.530 -4.563 1.00 0.00 C ATOM 1599 OE1 GLN A 109 0.301 14.623 -4.648 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -0.571 12.800 -5.628 1.00 0.00 N ATOM 0 H GLN A 109 1.484 9.804 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 109 0.497 12.361 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 109 1.202 11.845 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.236 10.851 -3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.689 12.687 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.490 13.707 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.035 11.899 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.346 13.140 -6.563 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.451 9.716 -1.242 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.718 9.146 -0.826 1.00 0.00 C ATOM 1611 C GLY A 110 -3.698 9.000 -1.974 1.00 0.00 C ATOM 1612 O GLY A 110 -3.658 9.766 -2.936 1.00 0.00 O ATOM 0 H GLY A 110 -0.879 9.108 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.542 8.168 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.160 9.776 -0.054 1.00 0.00 H new ATOM 1616 N THR A 111 -4.582 8.014 -1.866 1.00 0.00 N ATOM 1617 CA THR A 111 -5.584 7.763 -2.893 1.00 0.00 C ATOM 1618 C THR A 111 -6.748 6.975 -2.305 1.00 0.00 C ATOM 1619 O THR A 111 -6.569 5.859 -1.823 1.00 0.00 O ATOM 1620 CB THR A 111 -4.965 7.001 -4.070 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.863 6.954 -5.164 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.580 5.577 -3.731 1.00 0.00 C ATOM 0 H THR A 111 -4.624 7.373 -1.073 1.00 0.00 H new ATOM 0 HA THR A 111 -5.956 8.719 -3.260 1.00 0.00 H new ATOM 0 HB THR A 111 -4.059 7.552 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.356 6.924 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.149 5.098 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.848 5.580 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.466 5.026 -3.415 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.938 7.563 -2.333 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.112 6.915 -1.788 1.00 0.00 C ATOM 1632 C GLN A 112 -9.672 5.881 -2.760 1.00 0.00 C ATOM 1633 O GLN A 112 -9.669 6.085 -3.974 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.164 7.970 -1.457 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.750 7.834 -0.058 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.158 7.270 -0.051 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.434 6.350 -0.966 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -12.989 7.657 0.771 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.110 8.487 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.831 6.387 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.718 8.959 -1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.971 7.907 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.104 7.189 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.755 8.812 0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.735 8.367 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.932 7.268 0.765 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.155 4.773 -2.209 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.725 3.701 -3.003 1.00 0.00 C ATOM 1649 C VAL A 113 -12.204 3.531 -2.672 1.00 0.00 C ATOM 1650 O VAL A 113 -12.592 3.562 -1.503 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.981 2.380 -2.738 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.722 1.196 -3.345 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.559 2.456 -3.271 1.00 0.00 C ATOM 0 H VAL A 113 -10.161 4.597 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.620 3.961 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.940 2.227 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.171 0.278 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.718 1.127 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.809 1.335 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.046 1.514 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.582 2.641 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.027 3.268 -2.775 1.00 0.00 H new ATOM 1663 N THR A 114 -13.023 3.359 -3.704 1.00 0.00 N ATOM 1664 CA THR A 114 -14.457 3.192 -3.521 1.00 0.00 C ATOM 1665 C THR A 114 -14.885 1.759 -3.829 1.00 0.00 C ATOM 1666 O THR A 114 -14.542 1.208 -4.875 1.00 0.00 O ATOM 1667 CB THR A 114 -15.219 4.174 -4.414 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.903 5.511 -4.070 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.724 4.024 -4.328 1.00 0.00 C ATOM 0 H THR A 114 -12.716 3.332 -4.676 1.00 0.00 H new ATOM 0 HA THR A 114 -14.694 3.401 -2.478 1.00 0.00 H new ATOM 0 HB THR A 114 -14.905 3.940 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.692 6.078 -4.201 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.200 4.751 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.007 3.017 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.049 4.196 -3.302 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.638 1.164 -2.909 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.118 -0.204 -3.077 1.00 0.00 C ATOM 1679 C VAL A 115 -17.640 -0.264 -2.912 1.00 0.00 C ATOM 1680 O VAL A 115 -18.324 0.746 -3.076 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.445 -1.173 -2.074 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.216 -2.534 -2.717 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.131 -0.601 -1.556 1.00 0.00 C ATOM 0 H VAL A 115 -15.929 1.608 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.852 -0.520 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.117 -1.298 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -14.742 -3.201 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.172 -2.955 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.569 -2.421 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.681 -1.302 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.451 -0.437 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.320 0.346 -1.051 1.00 0.00 H new ATOM 1693 N SER A 116 -18.167 -1.446 -2.595 1.00 0.00 N ATOM 1694 CA SER A 116 -19.605 -1.623 -2.416 1.00 0.00 C ATOM 1695 C SER A 116 -20.347 -1.404 -3.730 1.00 0.00 C ATOM 1696 O SER A 116 -19.767 -0.944 -4.714 1.00 0.00 O ATOM 1697 CB SER A 116 -20.135 -0.667 -1.341 1.00 0.00 C ATOM 1698 OG SER A 116 -21.481 -0.297 -1.595 1.00 0.00 O ATOM 0 H SER A 116 -17.618 -2.295 -2.457 1.00 0.00 H new ATOM 0 HA SER A 116 -19.781 -2.648 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.065 -1.143 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.511 0.226 -1.306 1.00 0.00 H new ATOM 0 HG SER A 116 -21.791 0.311 -0.892 1.00 0.00 H new