USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 86 ASN : amide:sc= -5.09! C(o=-4.1!,f=-12!) USER MOD Set 1.2: A 88 THR OG1 : rot 177:sc= 0.952 USER MOD Set 2.1: A 73 HIS : no HD1:sc= -0.087 X(o=-0.94,f=-0.86) USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= -0.854 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.757 USER MOD Set 3.2: A 66 MET CE :methyl -118:sc= -8.26! (180deg=-16.1!) USER MOD Set 3.3: A 68 THR OG1 : rot -134:sc= -2.61 USER MOD Single : A 12 THR OG1 : rot -111:sc= 0.747 USER MOD Single : A 16 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.13) USER MOD Single : A 26 SER OG : rot 31:sc= 0.0202 USER MOD Single : A 30 SER OG : rot 53:sc= 0.626 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.7) USER MOD Single : A 37 SER OG : rot 51:sc= 1.23 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.784 USER MOD Single : A 52 ASN : amide:sc=-0.00885 X(o=-0.0089,f=-0.059) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 161:sc= 1.85 USER MOD Single : A 75 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.011) USER MOD Single : A 76 SER OG : rot 26:sc= 0.0582 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.45! K(o=-2.5!,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 142:sc= -5.56! (180deg=-8.39!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -167:sc= 1.07 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -115:sc= 0.803 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 100 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 101 THR OG1 : rot -74:sc= 0.589 USER MOD Single : A 102 SER OG : rot 180:sc=0.000241 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 17.586 -8.746 -1.333 1.00 0.00 N ATOM 67 CA PRO A 8 16.220 -9.278 -1.302 1.00 0.00 C ATOM 68 C PRO A 8 15.168 -8.176 -1.357 1.00 0.00 C ATOM 69 O PRO A 8 15.495 -6.996 -1.486 1.00 0.00 O ATOM 70 CB PRO A 8 16.156 -10.012 0.040 1.00 0.00 C ATOM 71 CG PRO A 8 17.178 -9.339 0.889 1.00 0.00 C ATOM 72 CD PRO A 8 18.278 -8.915 -0.044 1.00 0.00 C ATOM 0 HA PRO A 8 16.010 -9.914 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.163 -9.940 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.376 -11.073 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.751 -8.479 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.556 -10.016 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.748 -7.988 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.065 -9.667 -0.106 1.00 0.00 H new ATOM 80 N VAL A 9 13.901 -8.568 -1.259 1.00 0.00 N ATOM 81 CA VAL A 9 12.800 -7.613 -1.297 1.00 0.00 C ATOM 82 C VAL A 9 12.790 -6.736 -0.050 1.00 0.00 C ATOM 83 O VAL A 9 13.263 -7.127 1.018 1.00 0.00 O ATOM 84 CB VAL A 9 11.441 -8.328 -1.419 1.00 0.00 C ATOM 85 CG1 VAL A 9 11.302 -8.982 -2.785 1.00 0.00 C ATOM 86 CG2 VAL A 9 11.278 -9.355 -0.308 1.00 0.00 C ATOM 0 H VAL A 9 13.612 -9.540 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 9 12.954 -6.988 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 9 10.649 -7.586 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.336 -9.482 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.371 -8.220 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.099 -9.713 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.312 -9.851 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.075 -10.095 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.330 -8.856 0.660 1.00 0.00 H new ATOM 96 N PRO A 10 12.239 -5.521 -0.185 1.00 0.00 N ATOM 97 CA PRO A 10 12.153 -4.563 0.921 1.00 0.00 C ATOM 98 C PRO A 10 11.160 -5.001 1.992 1.00 0.00 C ATOM 99 O PRO A 10 10.019 -5.347 1.689 1.00 0.00 O ATOM 100 CB PRO A 10 11.673 -3.278 0.241 1.00 0.00 C ATOM 101 CG PRO A 10 10.950 -3.741 -0.976 1.00 0.00 C ATOM 102 CD PRO A 10 11.657 -4.989 -1.429 1.00 0.00 C ATOM 0 HA PRO A 10 13.104 -4.456 1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.018 -2.704 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.511 -2.631 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.903 -3.945 -0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.968 -2.978 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.967 -5.699 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.425 -4.769 -2.170 1.00 0.00 H new ATOM 110 N ALA A 11 11.603 -4.985 3.245 1.00 0.00 N ATOM 111 CA ALA A 11 10.752 -5.379 4.361 1.00 0.00 C ATOM 112 C ALA A 11 9.349 -4.801 4.212 1.00 0.00 C ATOM 113 O ALA A 11 9.176 -3.590 4.069 1.00 0.00 O ATOM 114 CB ALA A 11 11.371 -4.934 5.678 1.00 0.00 C ATOM 0 H ALA A 11 12.546 -4.703 3.513 1.00 0.00 H new ATOM 0 HA ALA A 11 10.671 -6.466 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.725 -5.234 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.350 -5.399 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.482 -3.850 5.680 1.00 0.00 H new ATOM 120 N THR A 12 8.348 -5.675 4.246 1.00 0.00 N ATOM 121 CA THR A 12 6.959 -5.252 4.112 1.00 0.00 C ATOM 122 C THR A 12 6.653 -4.073 5.029 1.00 0.00 C ATOM 123 O THR A 12 7.016 -4.060 6.205 1.00 0.00 O ATOM 124 CB THR A 12 5.988 -6.403 4.434 1.00 0.00 C ATOM 125 OG1 THR A 12 6.039 -7.391 3.398 1.00 0.00 O ATOM 126 CG2 THR A 12 4.565 -5.886 4.579 1.00 0.00 C ATOM 0 H THR A 12 8.473 -6.680 4.365 1.00 0.00 H new ATOM 0 HA THR A 12 6.820 -4.948 3.075 1.00 0.00 H new ATOM 0 HB THR A 12 6.292 -6.852 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.192 -7.391 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.897 -6.717 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.524 -5.156 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.253 -5.414 3.647 1.00 0.00 H new ATOM 134 N PRO A 13 5.969 -3.058 4.481 1.00 0.00 N ATOM 135 CA PRO A 13 5.597 -1.856 5.233 1.00 0.00 C ATOM 136 C PRO A 13 4.530 -2.137 6.285 1.00 0.00 C ATOM 137 O PRO A 13 3.555 -2.841 6.020 1.00 0.00 O ATOM 138 CB PRO A 13 5.051 -0.917 4.154 1.00 0.00 C ATOM 139 CG PRO A 13 4.578 -1.822 3.069 1.00 0.00 C ATOM 140 CD PRO A 13 5.504 -3.007 3.084 1.00 0.00 C ATOM 0 HA PRO A 13 6.441 -1.445 5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.238 -0.302 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.823 -0.237 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.547 -2.131 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.604 -1.319 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.988 -3.924 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.333 -2.878 2.389 1.00 0.00 H new ATOM 148 N ILE A 14 4.720 -1.582 7.477 1.00 0.00 N ATOM 149 CA ILE A 14 3.772 -1.772 8.567 1.00 0.00 C ATOM 150 C ILE A 14 2.679 -0.709 8.538 1.00 0.00 C ATOM 151 O ILE A 14 2.924 0.457 8.851 1.00 0.00 O ATOM 152 CB ILE A 14 4.474 -1.732 9.937 1.00 0.00 C ATOM 153 CG1 ILE A 14 5.651 -2.710 9.960 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.487 -2.056 11.049 1.00 0.00 C ATOM 155 CD1 ILE A 14 6.787 -2.267 10.855 1.00 0.00 C ATOM 0 H ILE A 14 5.522 -0.997 7.712 1.00 0.00 H new ATOM 0 HA ILE A 14 3.323 -2.755 8.426 1.00 0.00 H new ATOM 0 HB ILE A 14 4.859 -0.726 10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.296 -3.685 10.293 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.027 -2.837 8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.999 -2.024 12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.679 -1.324 11.043 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.075 -3.053 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.586 -3.008 10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.169 -1.306 10.510 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.426 -2.168 11.879 1.00 0.00 H new ATOM 167 N LEU A 15 1.473 -1.118 8.161 1.00 0.00 N ATOM 168 CA LEU A 15 0.341 -0.201 8.092 1.00 0.00 C ATOM 169 C LEU A 15 0.094 0.463 9.443 1.00 0.00 C ATOM 170 O LEU A 15 -0.608 -0.083 10.294 1.00 0.00 O ATOM 171 CB LEU A 15 -0.917 -0.945 7.639 1.00 0.00 C ATOM 172 CG LEU A 15 -1.027 -1.228 6.141 1.00 0.00 C ATOM 173 CD1 LEU A 15 -2.202 -2.151 5.856 1.00 0.00 C ATOM 174 CD2 LEU A 15 -1.168 0.072 5.362 1.00 0.00 C ATOM 0 H LEU A 15 1.254 -2.079 7.898 1.00 0.00 H new ATOM 0 HA LEU A 15 0.578 0.575 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.965 -1.895 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.788 -0.364 7.943 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.113 -1.726 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.264 -2.341 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.060 -3.094 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.125 -1.680 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.245 -0.148 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.065 0.597 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.295 0.700 5.540 1.00 0.00 H new ATOM 186 N GLN A 16 0.675 1.643 9.631 1.00 0.00 N ATOM 187 CA GLN A 16 0.517 2.381 10.879 1.00 0.00 C ATOM 188 C GLN A 16 -0.088 3.758 10.623 1.00 0.00 C ATOM 189 O GLN A 16 0.534 4.783 10.906 1.00 0.00 O ATOM 190 CB GLN A 16 1.866 2.527 11.584 1.00 0.00 C ATOM 191 CG GLN A 16 2.450 1.206 12.058 1.00 0.00 C ATOM 192 CD GLN A 16 1.593 0.533 13.112 1.00 0.00 C ATOM 193 OE1 GLN A 16 0.882 -0.431 12.828 1.00 0.00 O ATOM 194 NE2 GLN A 16 1.656 1.040 14.338 1.00 0.00 N ATOM 0 H GLN A 16 1.259 2.108 8.936 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.161 1.819 11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.572 3.004 10.904 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.749 3.191 12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.563 0.536 11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.447 1.378 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.259 1.840 14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.101 0.629 15.089 1.00 0.00 H new ATOM 203 N LEU A 17 -1.304 3.774 10.087 1.00 0.00 N ATOM 204 CA LEU A 17 -1.993 5.026 9.793 1.00 0.00 C ATOM 205 C LEU A 17 -2.136 5.878 11.051 1.00 0.00 C ATOM 206 O LEU A 17 -1.683 5.491 12.128 1.00 0.00 O ATOM 207 CB LEU A 17 -3.373 4.743 9.196 1.00 0.00 C ATOM 208 CG LEU A 17 -4.436 4.237 10.172 1.00 0.00 C ATOM 209 CD1 LEU A 17 -5.198 5.403 10.782 1.00 0.00 C ATOM 210 CD2 LEU A 17 -5.390 3.281 9.473 1.00 0.00 C ATOM 0 H LEU A 17 -1.832 2.935 9.847 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.396 5.579 9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.741 5.658 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.259 4.006 8.401 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.936 3.696 10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.950 5.024 11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.504 6.050 11.319 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.687 5.972 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.140 2.931 10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.883 3.797 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.832 2.429 9.085 1.00 0.00 H new ATOM 222 N GLU A 18 -2.770 7.037 10.905 1.00 0.00 N ATOM 223 CA GLU A 18 -2.973 7.942 12.031 1.00 0.00 C ATOM 224 C GLU A 18 -4.461 8.135 12.311 1.00 0.00 C ATOM 225 O GLU A 18 -4.899 8.069 13.459 1.00 0.00 O ATOM 226 CB GLU A 18 -2.316 9.295 11.751 1.00 0.00 C ATOM 227 CG GLU A 18 -2.029 10.103 13.005 1.00 0.00 C ATOM 228 CD GLU A 18 -0.744 9.680 13.690 1.00 0.00 C ATOM 229 OE1 GLU A 18 0.332 10.168 13.286 1.00 0.00 O ATOM 230 OE2 GLU A 18 -0.815 8.861 14.630 1.00 0.00 O ATOM 0 H GLU A 18 -3.151 7.371 10.020 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.509 7.497 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.382 9.132 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.965 9.876 11.095 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.967 11.160 12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.860 9.994 13.701 1.00 0.00 H new ATOM 334 N SER A 26 -12.385 10.569 4.253 1.00 0.00 N ATOM 335 CA SER A 26 -11.095 10.275 3.639 1.00 0.00 C ATOM 336 C SER A 26 -10.269 9.351 4.529 1.00 0.00 C ATOM 337 O SER A 26 -10.329 9.435 5.755 1.00 0.00 O ATOM 338 CB SER A 26 -10.325 11.570 3.375 1.00 0.00 C ATOM 339 OG SER A 26 -10.995 12.376 2.422 1.00 0.00 O ATOM 0 HA SER A 26 -11.278 9.770 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.208 12.124 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.323 11.334 3.017 1.00 0.00 H new ATOM 0 HG SER A 26 -11.962 12.235 2.496 1.00 0.00 H new ATOM 345 N ALA A 27 -9.498 8.469 3.901 1.00 0.00 N ATOM 346 CA ALA A 27 -8.658 7.530 4.635 1.00 0.00 C ATOM 347 C ALA A 27 -7.182 7.893 4.500 1.00 0.00 C ATOM 348 O ALA A 27 -6.633 7.905 3.398 1.00 0.00 O ATOM 349 CB ALA A 27 -8.901 6.110 4.145 1.00 0.00 C ATOM 0 H ALA A 27 -9.438 8.385 2.886 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.925 7.589 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.267 5.420 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.947 5.846 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.663 6.046 3.083 1.00 0.00 H new ATOM 355 N THR A 28 -6.545 8.189 5.628 1.00 0.00 N ATOM 356 CA THR A 28 -5.134 8.553 5.636 1.00 0.00 C ATOM 357 C THR A 28 -4.256 7.346 5.941 1.00 0.00 C ATOM 358 O THR A 28 -4.475 6.638 6.925 1.00 0.00 O ATOM 359 CB THR A 28 -4.845 9.658 6.670 1.00 0.00 C ATOM 360 OG1 THR A 28 -5.666 10.802 6.407 1.00 0.00 O ATOM 361 CG2 THR A 28 -3.378 10.061 6.635 1.00 0.00 C ATOM 0 H THR A 28 -6.984 8.184 6.549 1.00 0.00 H new ATOM 0 HA THR A 28 -4.899 8.927 4.640 1.00 0.00 H new ATOM 0 HB THR A 28 -5.075 9.267 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.477 11.499 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.198 10.842 7.373 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.757 9.195 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.127 10.435 5.642 1.00 0.00 H new ATOM 369 N LEU A 29 -3.260 7.115 5.092 1.00 0.00 N ATOM 370 CA LEU A 29 -2.347 5.991 5.271 1.00 0.00 C ATOM 371 C LEU A 29 -0.929 6.481 5.549 1.00 0.00 C ATOM 372 O LEU A 29 -0.371 7.265 4.782 1.00 0.00 O ATOM 373 CB LEU A 29 -2.355 5.098 4.029 1.00 0.00 C ATOM 374 CG LEU A 29 -3.446 4.028 3.979 1.00 0.00 C ATOM 375 CD1 LEU A 29 -2.965 2.744 4.637 1.00 0.00 C ATOM 376 CD2 LEU A 29 -4.716 4.530 4.650 1.00 0.00 C ATOM 0 H LEU A 29 -3.064 7.691 4.273 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.687 5.412 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.457 5.734 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.386 4.604 3.955 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.671 3.814 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.755 1.994 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.084 2.375 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.711 2.942 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.482 3.756 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.506 4.772 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.072 5.422 4.135 1.00 0.00 H new ATOM 388 N SER A 30 -0.352 6.012 6.651 1.00 0.00 N ATOM 389 CA SER A 30 1.000 6.403 7.032 1.00 0.00 C ATOM 390 C SER A 30 1.828 5.184 7.425 1.00 0.00 C ATOM 391 O SER A 30 2.231 5.040 8.579 1.00 0.00 O ATOM 392 CB SER A 30 0.957 7.401 8.191 1.00 0.00 C ATOM 393 OG SER A 30 0.471 6.789 9.373 1.00 0.00 O ATOM 0 H SER A 30 -0.800 5.361 7.296 1.00 0.00 H new ATOM 0 HA SER A 30 1.471 6.877 6.171 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.956 7.800 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.319 8.244 7.926 1.00 0.00 H new ATOM 0 HG SER A 30 0.985 5.975 9.555 1.00 0.00 H new ATOM 399 N TRP A 31 2.077 4.309 6.458 1.00 0.00 N ATOM 400 CA TRP A 31 2.857 3.101 6.702 1.00 0.00 C ATOM 401 C TRP A 31 4.300 3.447 7.054 1.00 0.00 C ATOM 402 O TRP A 31 4.840 4.450 6.588 1.00 0.00 O ATOM 403 CB TRP A 31 2.823 2.190 5.474 1.00 0.00 C ATOM 404 CG TRP A 31 3.302 2.861 4.223 1.00 0.00 C ATOM 405 CD1 TRP A 31 4.564 2.817 3.701 1.00 0.00 C ATOM 406 CD2 TRP A 31 2.528 3.678 3.338 1.00 0.00 C ATOM 407 NE1 TRP A 31 4.620 3.557 2.545 1.00 0.00 N ATOM 408 CE2 TRP A 31 3.385 4.095 2.300 1.00 0.00 C ATOM 409 CE3 TRP A 31 1.195 4.096 3.319 1.00 0.00 C ATOM 410 CZ2 TRP A 31 2.949 4.910 1.258 1.00 0.00 C ATOM 411 CZ3 TRP A 31 0.765 4.905 2.285 1.00 0.00 C ATOM 412 CH2 TRP A 31 1.639 5.304 1.265 1.00 0.00 C ATOM 0 H TRP A 31 1.750 4.413 5.497 1.00 0.00 H new ATOM 0 HA TRP A 31 2.412 2.576 7.547 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.439 1.311 5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.803 1.837 5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.395 2.280 4.134 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.448 3.685 1.963 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.513 3.792 4.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.622 5.220 0.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.263 5.236 2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.271 5.935 0.469 1.00 0.00 H new ATOM 423 N LYS A 32 4.920 2.609 7.878 1.00 0.00 N ATOM 424 CA LYS A 32 6.302 2.825 8.291 1.00 0.00 C ATOM 425 C LYS A 32 7.118 1.544 8.150 1.00 0.00 C ATOM 426 O LYS A 32 6.561 0.453 8.028 1.00 0.00 O ATOM 427 CB LYS A 32 6.352 3.317 9.739 1.00 0.00 C ATOM 428 CG LYS A 32 6.062 2.232 10.761 1.00 0.00 C ATOM 429 CD LYS A 32 6.784 2.493 12.073 1.00 0.00 C ATOM 430 CE LYS A 32 7.124 1.196 12.790 1.00 0.00 C ATOM 431 NZ LYS A 32 8.130 1.406 13.868 1.00 0.00 N ATOM 0 H LYS A 32 4.487 1.774 8.273 1.00 0.00 H new ATOM 0 HA LYS A 32 6.735 3.585 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.338 3.737 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.631 4.125 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.988 2.178 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.368 1.265 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.698 3.054 11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.159 3.113 12.716 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.217 0.769 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.508 0.473 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.335 0.499 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.005 1.790 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.754 2.076 14.568 1.00 0.00 H new ATOM 445 N GLN A 33 8.439 1.685 8.170 1.00 0.00 N ATOM 446 CA GLN A 33 9.331 0.538 8.046 1.00 0.00 C ATOM 447 C GLN A 33 9.641 -0.062 9.413 1.00 0.00 C ATOM 448 O GLN A 33 9.610 0.619 10.438 1.00 0.00 O ATOM 449 CB GLN A 33 10.630 0.948 7.349 1.00 0.00 C ATOM 450 CG GLN A 33 10.484 1.126 5.846 1.00 0.00 C ATOM 451 CD GLN A 33 10.704 -0.164 5.081 1.00 0.00 C ATOM 452 OE1 GLN A 33 9.973 -1.138 5.261 1.00 0.00 O ATOM 453 NE2 GLN A 33 11.715 -0.177 4.221 1.00 0.00 N ATOM 0 H GLN A 33 8.915 2.581 8.271 1.00 0.00 H new ATOM 0 HA GLN A 33 8.827 -0.218 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.987 1.881 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.392 0.193 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.488 1.510 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.198 1.874 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.295 0.653 4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.911 -1.017 3.677 1.00 0.00 H new ATOM 462 N PRO A 34 9.948 -1.368 9.432 1.00 0.00 N ATOM 463 CA PRO A 34 10.270 -2.088 10.667 1.00 0.00 C ATOM 464 C PRO A 34 11.613 -1.663 11.252 1.00 0.00 C ATOM 465 O PRO A 34 12.454 -1.073 10.574 1.00 0.00 O ATOM 466 CB PRO A 34 10.320 -3.551 10.222 1.00 0.00 C ATOM 467 CG PRO A 34 10.650 -3.495 8.770 1.00 0.00 C ATOM 468 CD PRO A 34 10.005 -2.241 8.248 1.00 0.00 C ATOM 0 HA PRO A 34 9.542 -1.893 11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.074 -4.108 10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.366 -4.049 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.729 -3.473 8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.271 -4.375 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.591 -1.792 7.446 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.011 -2.438 7.846 1.00 0.00 H new ATOM 476 N PRO A 35 11.822 -1.971 12.541 1.00 0.00 N ATOM 477 CA PRO A 35 13.062 -1.631 13.245 1.00 0.00 C ATOM 478 C PRO A 35 14.250 -2.452 12.756 1.00 0.00 C ATOM 479 O PRO A 35 15.349 -1.927 12.577 1.00 0.00 O ATOM 480 CB PRO A 35 12.744 -1.967 14.704 1.00 0.00 C ATOM 481 CG PRO A 35 11.677 -3.004 14.631 1.00 0.00 C ATOM 482 CD PRO A 35 10.863 -2.674 13.410 1.00 0.00 C ATOM 0 HA PRO A 35 13.350 -0.592 13.085 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.625 -2.342 15.225 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.403 -1.086 15.248 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.108 -4.002 14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.058 -2.991 15.528 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.472 -3.573 12.933 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.007 -2.045 13.655 1.00 0.00 H new ATOM 490 N LEU A 36 14.022 -3.743 12.540 1.00 0.00 N ATOM 491 CA LEU A 36 15.075 -4.638 12.070 1.00 0.00 C ATOM 492 C LEU A 36 15.238 -4.539 10.557 1.00 0.00 C ATOM 493 O LEU A 36 16.008 -5.287 9.955 1.00 0.00 O ATOM 494 CB LEU A 36 14.760 -6.081 12.467 1.00 0.00 C ATOM 495 CG LEU A 36 13.277 -6.452 12.529 1.00 0.00 C ATOM 496 CD1 LEU A 36 12.569 -6.035 11.249 1.00 0.00 C ATOM 497 CD2 LEU A 36 13.111 -7.945 12.771 1.00 0.00 C ATOM 0 H LEU A 36 13.118 -4.194 12.683 1.00 0.00 H new ATOM 0 HA LEU A 36 16.011 -4.335 12.539 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.251 -6.747 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.203 -6.273 13.444 1.00 0.00 H new ATOM 0 HG LEU A 36 12.822 -5.917 13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.515 -6.307 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.659 -4.957 11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.025 -6.542 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.050 -8.191 12.812 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.581 -8.500 11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.583 -8.215 13.716 1.00 0.00 H new ATOM 509 N SER A 37 14.509 -3.608 9.948 1.00 0.00 N ATOM 510 CA SER A 37 14.572 -3.412 8.504 1.00 0.00 C ATOM 511 C SER A 37 16.008 -3.527 8.002 1.00 0.00 C ATOM 512 O SER A 37 16.783 -2.573 8.074 1.00 0.00 O ATOM 513 CB SER A 37 13.997 -2.045 8.129 1.00 0.00 C ATOM 514 OG SER A 37 14.832 -0.996 8.589 1.00 0.00 O ATOM 0 H SER A 37 13.869 -2.978 10.432 1.00 0.00 H new ATOM 0 HA SER A 37 13.976 -4.192 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.887 -1.978 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.001 -1.936 8.558 1.00 0.00 H new ATOM 0 HG SER A 37 15.754 -1.162 8.302 1.00 0.00 H new ATOM 520 N THR A 38 16.357 -4.705 7.493 1.00 0.00 N ATOM 521 CA THR A 38 17.700 -4.948 6.980 1.00 0.00 C ATOM 522 C THR A 38 17.788 -4.619 5.494 1.00 0.00 C ATOM 523 O THR A 38 18.878 -4.437 4.951 1.00 0.00 O ATOM 524 CB THR A 38 18.128 -6.411 7.197 1.00 0.00 C ATOM 525 OG1 THR A 38 17.162 -7.295 6.617 1.00 0.00 O ATOM 526 CG2 THR A 38 18.277 -6.717 8.680 1.00 0.00 C ATOM 0 H THR A 38 15.728 -5.505 7.425 1.00 0.00 H new ATOM 0 HA THR A 38 18.374 -4.295 7.535 1.00 0.00 H new ATOM 0 HB THR A 38 19.093 -6.560 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.442 -8.223 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.580 -7.756 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.034 -6.062 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.324 -6.552 9.183 1.00 0.00 H new ATOM 534 N VAL A 39 16.633 -4.544 4.840 1.00 0.00 N ATOM 535 CA VAL A 39 16.580 -4.235 3.416 1.00 0.00 C ATOM 536 C VAL A 39 15.785 -2.960 3.159 1.00 0.00 C ATOM 537 O VAL A 39 14.611 -2.848 3.515 1.00 0.00 O ATOM 538 CB VAL A 39 15.950 -5.390 2.614 1.00 0.00 C ATOM 539 CG1 VAL A 39 16.158 -5.181 1.122 1.00 0.00 C ATOM 540 CG2 VAL A 39 16.528 -6.725 3.060 1.00 0.00 C ATOM 0 H VAL A 39 15.722 -4.693 5.274 1.00 0.00 H new ATOM 0 HA VAL A 39 17.609 -4.091 3.085 1.00 0.00 H new ATOM 0 HB VAL A 39 14.877 -5.401 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.706 -6.007 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.692 -4.244 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 39 17.226 -5.142 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.072 -7.530 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 39 17.606 -6.727 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.321 -6.875 4.120 1.00 0.00 H new ATOM 550 N PRO A 40 16.437 -1.974 2.526 1.00 0.00 N ATOM 551 CA PRO A 40 15.809 -0.688 2.206 1.00 0.00 C ATOM 552 C PRO A 40 14.747 -0.816 1.120 1.00 0.00 C ATOM 553 O PRO A 40 14.696 -1.814 0.403 1.00 0.00 O ATOM 554 CB PRO A 40 16.981 0.165 1.711 1.00 0.00 C ATOM 555 CG PRO A 40 17.977 -0.819 1.203 1.00 0.00 C ATOM 556 CD PRO A 40 17.837 -2.038 2.073 1.00 0.00 C ATOM 0 HA PRO A 40 15.288 -0.264 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.667 0.852 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.398 0.771 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.787 -1.062 0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.988 -0.415 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.038 -2.954 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.532 -2.015 2.912 1.00 0.00 H new ATOM 564 N ALA A 41 13.901 0.202 1.004 1.00 0.00 N ATOM 565 CA ALA A 41 12.841 0.204 0.003 1.00 0.00 C ATOM 566 C ALA A 41 13.036 1.336 -1.001 1.00 0.00 C ATOM 567 O ALA A 41 13.687 2.337 -0.702 1.00 0.00 O ATOM 568 CB ALA A 41 11.481 0.321 0.675 1.00 0.00 C ATOM 0 H ALA A 41 13.929 1.036 1.591 1.00 0.00 H new ATOM 0 HA ALA A 41 12.886 -0.740 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.699 0.321 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.334 -0.524 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.435 1.250 1.244 1.00 0.00 H new ATOM 574 N ASP A 42 12.469 1.169 -2.190 1.00 0.00 N ATOM 575 CA ASP A 42 12.581 2.177 -3.239 1.00 0.00 C ATOM 576 C ASP A 42 11.240 2.865 -3.475 1.00 0.00 C ATOM 577 O ASP A 42 11.183 4.073 -3.703 1.00 0.00 O ATOM 578 CB ASP A 42 13.077 1.540 -4.537 1.00 0.00 C ATOM 579 CG ASP A 42 14.588 1.419 -4.583 1.00 0.00 C ATOM 580 OD1 ASP A 42 15.151 0.700 -3.732 1.00 0.00 O ATOM 581 OD2 ASP A 42 15.207 2.046 -5.469 1.00 0.00 O ATOM 0 H ASP A 42 11.927 0.346 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 42 13.302 2.927 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.633 0.551 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.737 2.136 -5.384 1.00 0.00 H new ATOM 586 N GLY A 43 10.163 2.088 -3.420 1.00 0.00 N ATOM 587 CA GLY A 43 8.838 2.640 -3.632 1.00 0.00 C ATOM 588 C GLY A 43 7.757 1.838 -2.934 1.00 0.00 C ATOM 589 O GLY A 43 8.018 0.752 -2.415 1.00 0.00 O ATOM 0 H GLY A 43 10.184 1.086 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.814 3.668 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.628 2.673 -4.701 1.00 0.00 H new ATOM 593 N TYR A 44 6.542 2.373 -2.919 1.00 0.00 N ATOM 594 CA TYR A 44 5.419 1.702 -2.276 1.00 0.00 C ATOM 595 C TYR A 44 4.154 1.826 -3.120 1.00 0.00 C ATOM 596 O TYR A 44 3.835 2.903 -3.625 1.00 0.00 O ATOM 597 CB TYR A 44 5.176 2.288 -0.884 1.00 0.00 C ATOM 598 CG TYR A 44 6.392 2.240 0.013 1.00 0.00 C ATOM 599 CD1 TYR A 44 7.421 3.163 -0.129 1.00 0.00 C ATOM 600 CD2 TYR A 44 6.511 1.273 1.003 1.00 0.00 C ATOM 601 CE1 TYR A 44 8.534 3.122 0.689 1.00 0.00 C ATOM 602 CE2 TYR A 44 7.619 1.226 1.826 1.00 0.00 C ATOM 603 CZ TYR A 44 8.629 2.152 1.665 1.00 0.00 C ATOM 604 OH TYR A 44 9.735 2.109 2.482 1.00 0.00 O ATOM 0 H TYR A 44 6.309 3.270 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 44 5.668 0.645 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.851 3.323 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.361 1.744 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.350 3.925 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.723 0.545 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.326 3.846 0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.694 0.468 2.592 1.00 0.00 H new ATOM 0 HH TYR A 44 9.645 1.367 3.116 1.00 0.00 H new ATOM 614 N ILE A 45 3.437 0.717 -3.268 1.00 0.00 N ATOM 615 CA ILE A 45 2.207 0.701 -4.049 1.00 0.00 C ATOM 616 C ILE A 45 0.995 0.446 -3.159 1.00 0.00 C ATOM 617 O ILE A 45 0.969 -0.513 -2.387 1.00 0.00 O ATOM 618 CB ILE A 45 2.254 -0.372 -5.153 1.00 0.00 C ATOM 619 CG1 ILE A 45 3.449 -0.130 -6.078 1.00 0.00 C ATOM 620 CG2 ILE A 45 0.956 -0.374 -5.946 1.00 0.00 C ATOM 621 CD1 ILE A 45 3.879 -1.361 -6.844 1.00 0.00 C ATOM 0 H ILE A 45 3.687 -0.182 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 45 2.115 1.683 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 45 2.372 -1.349 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.196 0.659 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.289 0.231 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.005 -1.138 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.122 -0.589 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.810 0.603 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.730 -1.116 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.164 -2.145 -6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.053 -1.711 -7.464 1.00 0.00 H new ATOM 633 N LEU A 46 -0.009 1.309 -3.274 1.00 0.00 N ATOM 634 CA LEU A 46 -1.226 1.176 -2.482 1.00 0.00 C ATOM 635 C LEU A 46 -2.313 0.453 -3.270 1.00 0.00 C ATOM 636 O LEU A 46 -2.318 0.474 -4.501 1.00 0.00 O ATOM 637 CB LEU A 46 -1.728 2.554 -2.047 1.00 0.00 C ATOM 638 CG LEU A 46 -1.120 3.114 -0.760 1.00 0.00 C ATOM 639 CD1 LEU A 46 -1.453 4.590 -0.611 1.00 0.00 C ATOM 640 CD2 LEU A 46 -1.611 2.330 0.447 1.00 0.00 C ATOM 0 H LEU A 46 -0.004 2.108 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.991 0.585 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.534 3.261 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.809 2.502 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.036 3.011 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.012 4.971 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.051 5.141 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.535 4.717 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.168 2.742 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.697 2.400 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.320 1.284 0.345 1.00 0.00 H new ATOM 652 N GLU A 47 -3.233 -0.185 -2.553 1.00 0.00 N ATOM 653 CA GLU A 47 -4.326 -0.913 -3.187 1.00 0.00 C ATOM 654 C GLU A 47 -5.567 -0.913 -2.299 1.00 0.00 C ATOM 655 O GLU A 47 -5.482 -1.149 -1.093 1.00 0.00 O ATOM 656 CB GLU A 47 -3.902 -2.352 -3.489 1.00 0.00 C ATOM 657 CG GLU A 47 -2.686 -2.450 -4.396 1.00 0.00 C ATOM 658 CD GLU A 47 -1.400 -2.067 -3.691 1.00 0.00 C ATOM 659 OE1 GLU A 47 -1.438 -1.860 -2.459 1.00 0.00 O ATOM 660 OE2 GLU A 47 -0.356 -1.973 -4.369 1.00 0.00 O ATOM 0 H GLU A 47 -3.243 -0.212 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.570 -0.409 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.687 -2.863 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.736 -2.878 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.600 -3.469 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.829 -1.802 -5.260 1.00 0.00 H new ATOM 667 N LEU A 48 -6.719 -0.647 -2.903 1.00 0.00 N ATOM 668 CA LEU A 48 -7.979 -0.615 -2.169 1.00 0.00 C ATOM 669 C LEU A 48 -9.134 -1.087 -3.047 1.00 0.00 C ATOM 670 O LEU A 48 -9.147 -0.846 -4.254 1.00 0.00 O ATOM 671 CB LEU A 48 -8.258 0.799 -1.656 1.00 0.00 C ATOM 672 CG LEU A 48 -9.637 1.029 -1.037 1.00 0.00 C ATOM 673 CD1 LEU A 48 -9.615 0.710 0.450 1.00 0.00 C ATOM 674 CD2 LEU A 48 -10.095 2.461 -1.270 1.00 0.00 C ATOM 0 H LEU A 48 -6.807 -0.450 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.893 -1.293 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.502 1.050 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.133 1.496 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.347 0.359 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.605 0.880 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.332 -0.333 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.892 1.354 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.078 2.606 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.384 3.149 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.152 2.655 -2.341 1.00 0.00 H new ATOM 686 N ASP A 49 -10.101 -1.759 -2.432 1.00 0.00 N ATOM 687 CA ASP A 49 -11.262 -2.262 -3.158 1.00 0.00 C ATOM 688 C ASP A 49 -12.349 -1.195 -3.251 1.00 0.00 C ATOM 689 O ASP A 49 -12.170 -0.070 -2.783 1.00 0.00 O ATOM 690 CB ASP A 49 -11.816 -3.512 -2.472 1.00 0.00 C ATOM 691 CG ASP A 49 -12.611 -3.184 -1.224 1.00 0.00 C ATOM 692 OD1 ASP A 49 -11.986 -2.900 -0.180 1.00 0.00 O ATOM 693 OD2 ASP A 49 -13.858 -3.211 -1.290 1.00 0.00 O ATOM 0 H ASP A 49 -10.104 -1.968 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.944 -2.521 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.451 -4.055 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.991 -4.175 -2.210 1.00 0.00 H new ATOM 698 N ASP A 50 -13.473 -1.555 -3.860 1.00 0.00 N ATOM 699 CA ASP A 50 -14.588 -0.628 -4.016 1.00 0.00 C ATOM 700 C ASP A 50 -15.633 -0.848 -2.927 1.00 0.00 C ATOM 701 O ASP A 50 -16.834 -0.859 -3.197 1.00 0.00 O ATOM 702 CB ASP A 50 -15.229 -0.795 -5.395 1.00 0.00 C ATOM 703 CG ASP A 50 -14.458 -0.072 -6.482 1.00 0.00 C ATOM 704 OD1 ASP A 50 -14.002 1.064 -6.231 1.00 0.00 O ATOM 705 OD2 ASP A 50 -14.310 -0.641 -7.583 1.00 0.00 O ATOM 0 H ASP A 50 -13.636 -2.482 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.200 0.387 -3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.288 -1.856 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.251 -0.417 -5.366 1.00 0.00 H new ATOM 710 N GLY A 51 -15.168 -1.024 -1.694 1.00 0.00 N ATOM 711 CA GLY A 51 -16.075 -1.243 -0.582 1.00 0.00 C ATOM 712 C GLY A 51 -17.071 -2.352 -0.856 1.00 0.00 C ATOM 713 O GLY A 51 -18.163 -2.368 -0.291 1.00 0.00 O ATOM 0 H GLY A 51 -14.179 -1.019 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.499 -1.489 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.614 -0.320 -0.369 1.00 0.00 H new ATOM 717 N ASN A 52 -16.694 -3.282 -1.728 1.00 0.00 N ATOM 718 CA ASN A 52 -17.563 -4.399 -2.078 1.00 0.00 C ATOM 719 C ASN A 52 -17.059 -5.697 -1.456 1.00 0.00 C ATOM 720 O ASN A 52 -17.821 -6.643 -1.262 1.00 0.00 O ATOM 721 CB ASN A 52 -17.649 -4.549 -3.599 1.00 0.00 C ATOM 722 CG ASN A 52 -18.651 -3.595 -4.219 1.00 0.00 C ATOM 723 OD1 ASN A 52 -18.277 -2.652 -4.917 1.00 0.00 O ATOM 724 ND2 ASN A 52 -19.932 -3.836 -3.965 1.00 0.00 N ATOM 0 H ASN A 52 -15.792 -3.284 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.557 -4.190 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.666 -4.372 -4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.927 -5.574 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.652 -3.228 -4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.196 -4.630 -3.381 1.00 0.00 H new ATOM 731 N GLY A 53 -15.767 -5.734 -1.143 1.00 0.00 N ATOM 732 CA GLY A 53 -15.182 -6.920 -0.545 1.00 0.00 C ATOM 733 C GLY A 53 -14.773 -7.950 -1.579 1.00 0.00 C ATOM 734 O GLY A 53 -14.916 -9.152 -1.360 1.00 0.00 O ATOM 0 H GLY A 53 -15.115 -4.964 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.310 -6.634 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.899 -7.367 0.144 1.00 0.00 H new ATOM 738 N GLY A 54 -14.263 -7.477 -2.713 1.00 0.00 N ATOM 739 CA GLY A 54 -13.841 -8.379 -3.769 1.00 0.00 C ATOM 740 C GLY A 54 -12.347 -8.326 -4.015 1.00 0.00 C ATOM 741 O GLY A 54 -11.567 -8.906 -3.260 1.00 0.00 O ATOM 0 H GLY A 54 -14.135 -6.486 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.127 -9.398 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.367 -8.126 -4.690 1.00 0.00 H new ATOM 745 N GLN A 55 -11.947 -7.629 -5.074 1.00 0.00 N ATOM 746 CA GLN A 55 -10.535 -7.505 -5.418 1.00 0.00 C ATOM 747 C GLN A 55 -10.034 -6.088 -5.158 1.00 0.00 C ATOM 748 O GLN A 55 -10.823 -5.174 -4.919 1.00 0.00 O ATOM 749 CB GLN A 55 -10.312 -7.877 -6.885 1.00 0.00 C ATOM 750 CG GLN A 55 -11.185 -7.093 -7.851 1.00 0.00 C ATOM 751 CD GLN A 55 -10.903 -7.435 -9.301 1.00 0.00 C ATOM 752 OE1 GLN A 55 -9.762 -7.710 -9.675 1.00 0.00 O ATOM 753 NE2 GLN A 55 -11.943 -7.419 -10.126 1.00 0.00 N ATOM 0 H GLN A 55 -12.580 -7.142 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.971 -8.191 -4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.265 -7.711 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.506 -8.942 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.234 -7.293 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.025 -6.026 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.871 -7.185 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.814 -7.640 -11.113 1.00 0.00 H new ATOM 762 N PHE A 56 -8.718 -5.913 -5.206 1.00 0.00 N ATOM 763 CA PHE A 56 -8.111 -4.608 -4.975 1.00 0.00 C ATOM 764 C PHE A 56 -7.404 -4.106 -6.230 1.00 0.00 C ATOM 765 O PHE A 56 -6.990 -4.895 -7.079 1.00 0.00 O ATOM 766 CB PHE A 56 -7.119 -4.681 -3.812 1.00 0.00 C ATOM 767 CG PHE A 56 -7.686 -5.327 -2.580 1.00 0.00 C ATOM 768 CD1 PHE A 56 -8.098 -6.650 -2.603 1.00 0.00 C ATOM 769 CD2 PHE A 56 -7.808 -4.612 -1.400 1.00 0.00 C ATOM 770 CE1 PHE A 56 -8.620 -7.248 -1.471 1.00 0.00 C ATOM 771 CE2 PHE A 56 -8.329 -5.204 -0.265 1.00 0.00 C ATOM 772 CZ PHE A 56 -8.736 -6.523 -0.301 1.00 0.00 C ATOM 0 H PHE A 56 -8.051 -6.659 -5.403 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.906 -3.906 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.238 -5.237 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.787 -3.673 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.010 -7.221 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.492 -3.580 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.936 -8.280 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.418 -4.636 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.144 -6.987 0.584 1.00 0.00 H new ATOM 782 N ARG A 57 -7.271 -2.788 -6.341 1.00 0.00 N ATOM 783 CA ARG A 57 -6.616 -2.181 -7.493 1.00 0.00 C ATOM 784 C ARG A 57 -5.674 -1.062 -7.056 1.00 0.00 C ATOM 785 O ARG A 57 -5.868 -0.450 -6.005 1.00 0.00 O ATOM 786 CB ARG A 57 -7.658 -1.632 -8.469 1.00 0.00 C ATOM 787 CG ARG A 57 -8.359 -0.379 -7.970 1.00 0.00 C ATOM 788 CD ARG A 57 -9.508 -0.719 -7.033 1.00 0.00 C ATOM 789 NE ARG A 57 -10.736 -1.025 -7.760 1.00 0.00 N ATOM 790 CZ ARG A 57 -11.099 -2.255 -8.105 1.00 0.00 C ATOM 791 NH1 ARG A 57 -10.331 -3.289 -7.790 1.00 0.00 N ATOM 792 NH2 ARG A 57 -12.232 -2.453 -8.767 1.00 0.00 N ATOM 0 H ARG A 57 -7.608 -2.121 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.030 -2.952 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.173 -1.412 -9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.404 -2.403 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.642 0.258 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.737 0.190 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.231 -1.573 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.685 0.119 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.349 -0.252 -8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.459 -3.141 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.612 -4.233 -8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.825 -1.660 -9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.510 -3.398 -9.031 1.00 0.00 H new ATOM 806 N GLU A 58 -4.655 -0.801 -7.868 1.00 0.00 N ATOM 807 CA GLU A 58 -3.684 0.243 -7.564 1.00 0.00 C ATOM 808 C GLU A 58 -4.373 1.593 -7.388 1.00 0.00 C ATOM 809 O GLU A 58 -5.080 2.062 -8.280 1.00 0.00 O ATOM 810 CB GLU A 58 -2.635 0.334 -8.674 1.00 0.00 C ATOM 811 CG GLU A 58 -1.564 -0.740 -8.589 1.00 0.00 C ATOM 812 CD GLU A 58 -0.506 -0.596 -9.666 1.00 0.00 C ATOM 813 OE1 GLU A 58 -0.349 0.524 -10.196 1.00 0.00 O ATOM 814 OE2 GLU A 58 0.163 -1.603 -9.980 1.00 0.00 O ATOM 0 H GLU A 58 -4.480 -1.298 -8.741 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.190 -0.018 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.134 0.262 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.159 1.314 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.088 -0.696 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.031 -1.721 -8.673 1.00 0.00 H new ATOM 821 N VAL A 59 -4.162 2.212 -6.231 1.00 0.00 N ATOM 822 CA VAL A 59 -4.762 3.509 -5.938 1.00 0.00 C ATOM 823 C VAL A 59 -3.713 4.614 -5.947 1.00 0.00 C ATOM 824 O VAL A 59 -4.012 5.766 -6.265 1.00 0.00 O ATOM 825 CB VAL A 59 -5.472 3.502 -4.571 1.00 0.00 C ATOM 826 CG1 VAL A 59 -6.543 2.422 -4.531 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.464 3.306 -3.448 1.00 0.00 C ATOM 0 H VAL A 59 -3.581 1.837 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.496 3.703 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.957 4.467 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.034 2.432 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.280 2.612 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.083 1.447 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.983 3.304 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.948 2.355 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.738 4.118 -3.465 1.00 0.00 H new ATOM 837 N TYR A 60 -2.482 4.257 -5.598 1.00 0.00 N ATOM 838 CA TYR A 60 -1.387 5.220 -5.564 1.00 0.00 C ATOM 839 C TYR A 60 -0.041 4.520 -5.723 1.00 0.00 C ATOM 840 O TYR A 60 0.086 3.325 -5.457 1.00 0.00 O ATOM 841 CB TYR A 60 -1.414 6.008 -4.253 1.00 0.00 C ATOM 842 CG TYR A 60 -0.047 6.466 -3.794 1.00 0.00 C ATOM 843 CD1 TYR A 60 0.748 5.652 -2.997 1.00 0.00 C ATOM 844 CD2 TYR A 60 0.447 7.712 -4.157 1.00 0.00 C ATOM 845 CE1 TYR A 60 1.996 6.066 -2.575 1.00 0.00 C ATOM 846 CE2 TYR A 60 1.695 8.134 -3.741 1.00 0.00 C ATOM 847 CZ TYR A 60 2.466 7.308 -2.950 1.00 0.00 C ATOM 848 OH TYR A 60 3.709 7.725 -2.532 1.00 0.00 O ATOM 0 H TYR A 60 -2.217 3.308 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.517 5.910 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.058 6.879 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.861 5.388 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.384 4.679 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.155 8.362 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.601 5.421 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.065 9.106 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 60 3.889 8.622 -2.884 1.00 0.00 H new ATOM 858 N VAL A 61 0.963 5.275 -6.158 1.00 0.00 N ATOM 859 CA VAL A 61 2.301 4.729 -6.352 1.00 0.00 C ATOM 860 C VAL A 61 3.358 5.825 -6.273 1.00 0.00 C ATOM 861 O VAL A 61 3.185 6.910 -6.827 1.00 0.00 O ATOM 862 CB VAL A 61 2.423 4.010 -7.708 1.00 0.00 C ATOM 863 CG1 VAL A 61 3.784 3.343 -7.838 1.00 0.00 C ATOM 864 CG2 VAL A 61 1.304 2.992 -7.873 1.00 0.00 C ATOM 0 H VAL A 61 0.875 6.266 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 61 2.468 4.008 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 61 2.330 4.751 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.852 2.840 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.567 4.098 -7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.909 2.613 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.405 2.493 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.363 2.253 -7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.341 3.500 -7.827 1.00 0.00 H new ATOM 874 N GLY A 62 4.455 5.533 -5.581 1.00 0.00 N ATOM 875 CA GLY A 62 5.525 6.504 -5.442 1.00 0.00 C ATOM 876 C GLY A 62 6.600 6.048 -4.476 1.00 0.00 C ATOM 877 O GLY A 62 6.955 4.870 -4.441 1.00 0.00 O ATOM 0 H GLY A 62 4.622 4.642 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.973 6.689 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.110 7.451 -5.098 1.00 0.00 H new ATOM 881 N LYS A 63 7.122 6.984 -3.690 1.00 0.00 N ATOM 882 CA LYS A 63 8.164 6.673 -2.718 1.00 0.00 C ATOM 883 C LYS A 63 7.822 7.254 -1.350 1.00 0.00 C ATOM 884 O LYS A 63 8.566 7.074 -0.386 1.00 0.00 O ATOM 885 CB LYS A 63 9.512 7.218 -3.194 1.00 0.00 C ATOM 886 CG LYS A 63 9.453 8.662 -3.663 1.00 0.00 C ATOM 887 CD LYS A 63 9.656 9.632 -2.511 1.00 0.00 C ATOM 888 CE LYS A 63 11.133 9.864 -2.232 1.00 0.00 C ATOM 889 NZ LYS A 63 11.352 10.531 -0.919 1.00 0.00 N ATOM 0 H LYS A 63 6.840 7.964 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 63 8.230 5.589 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.234 7.138 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.879 6.595 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.218 8.831 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.489 8.853 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.175 10.582 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.172 9.242 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.659 8.910 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.561 10.476 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.371 10.671 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.871 11.453 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.967 9.935 -0.158 1.00 0.00 H new ATOM 903 N GLU A 64 6.693 7.951 -1.273 1.00 0.00 N ATOM 904 CA GLU A 64 6.254 8.558 -0.022 1.00 0.00 C ATOM 905 C GLU A 64 5.746 7.496 0.949 1.00 0.00 C ATOM 906 O GLU A 64 5.570 6.334 0.581 1.00 0.00 O ATOM 907 CB GLU A 64 5.155 9.589 -0.287 1.00 0.00 C ATOM 908 CG GLU A 64 5.580 10.702 -1.231 1.00 0.00 C ATOM 909 CD GLU A 64 6.568 11.661 -0.595 1.00 0.00 C ATOM 910 OE1 GLU A 64 7.518 11.186 0.061 1.00 0.00 O ATOM 911 OE2 GLU A 64 6.391 12.886 -0.755 1.00 0.00 O ATOM 0 H GLU A 64 6.066 8.109 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 64 7.111 9.059 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.286 9.082 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.843 10.027 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.027 10.265 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.698 11.256 -1.554 1.00 0.00 H new ATOM 918 N THR A 65 5.512 7.903 2.193 1.00 0.00 N ATOM 919 CA THR A 65 5.026 6.987 3.218 1.00 0.00 C ATOM 920 C THR A 65 3.715 7.480 3.818 1.00 0.00 C ATOM 921 O THR A 65 3.140 6.833 4.693 1.00 0.00 O ATOM 922 CB THR A 65 6.059 6.809 4.347 1.00 0.00 C ATOM 923 OG1 THR A 65 6.313 8.067 4.982 1.00 0.00 O ATOM 924 CG2 THR A 65 7.360 6.237 3.805 1.00 0.00 C ATOM 0 H THR A 65 5.651 8.861 2.515 1.00 0.00 H new ATOM 0 HA THR A 65 4.861 6.026 2.731 1.00 0.00 H new ATOM 0 HB THR A 65 5.650 6.110 5.077 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.969 7.945 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.074 6.120 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.168 5.266 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.772 6.914 3.057 1.00 0.00 H new ATOM 932 N MET A 66 3.245 8.628 3.341 1.00 0.00 N ATOM 933 CA MET A 66 1.999 9.206 3.830 1.00 0.00 C ATOM 934 C MET A 66 1.131 9.686 2.671 1.00 0.00 C ATOM 935 O MET A 66 1.487 10.631 1.967 1.00 0.00 O ATOM 936 CB MET A 66 2.289 10.369 4.781 1.00 0.00 C ATOM 937 CG MET A 66 1.076 10.820 5.578 1.00 0.00 C ATOM 938 SD MET A 66 0.119 12.089 4.727 1.00 0.00 S ATOM 939 CE MET A 66 -1.243 11.116 4.090 1.00 0.00 C ATOM 0 H MET A 66 3.708 9.176 2.616 1.00 0.00 H new ATOM 0 HA MET A 66 1.456 8.431 4.371 1.00 0.00 H new ATOM 0 HB2 MET A 66 3.078 10.074 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 66 2.669 11.213 4.205 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.436 9.960 5.777 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.403 11.204 6.544 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.242 11.157 3.001 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.134 10.081 4.414 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.184 11.517 4.467 1.00 0.00 H new ATOM 949 N CYS A 67 -0.008 9.030 2.480 1.00 0.00 N ATOM 950 CA CYS A 67 -0.927 9.390 1.406 1.00 0.00 C ATOM 951 C CYS A 67 -2.373 9.137 1.819 1.00 0.00 C ATOM 952 O CYS A 67 -2.679 8.138 2.471 1.00 0.00 O ATOM 953 CB CYS A 67 -0.599 8.597 0.140 1.00 0.00 C ATOM 954 SG CYS A 67 0.627 9.387 -0.930 1.00 0.00 S ATOM 0 H CYS A 67 -0.317 8.246 3.055 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.808 10.454 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.234 7.611 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.517 8.444 -0.428 1.00 0.00 H new ATOM 0 HG CYS A 67 1.138 8.501 -1.732 1.00 0.00 H new ATOM 960 N THR A 68 -3.260 10.050 1.437 1.00 0.00 N ATOM 961 CA THR A 68 -4.674 9.928 1.770 1.00 0.00 C ATOM 962 C THR A 68 -5.540 9.979 0.516 1.00 0.00 C ATOM 963 O THR A 68 -5.281 10.761 -0.398 1.00 0.00 O ATOM 964 CB THR A 68 -5.122 11.042 2.735 1.00 0.00 C ATOM 965 OG1 THR A 68 -4.340 10.994 3.934 1.00 0.00 O ATOM 966 CG2 THR A 68 -6.597 10.898 3.080 1.00 0.00 C ATOM 0 H THR A 68 -3.024 10.882 0.897 1.00 0.00 H new ATOM 0 HA THR A 68 -4.802 8.962 2.258 1.00 0.00 H new ATOM 0 HB THR A 68 -4.972 12.002 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.930 11.074 4.713 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.891 11.696 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.192 10.963 2.169 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.767 9.932 3.556 1.00 0.00 H new ATOM 974 N VAL A 69 -6.571 9.140 0.481 1.00 0.00 N ATOM 975 CA VAL A 69 -7.478 9.091 -0.660 1.00 0.00 C ATOM 976 C VAL A 69 -8.749 9.886 -0.386 1.00 0.00 C ATOM 977 O VAL A 69 -9.216 9.959 0.751 1.00 0.00 O ATOM 978 CB VAL A 69 -7.858 7.641 -1.013 1.00 0.00 C ATOM 979 CG1 VAL A 69 -8.744 7.043 0.070 1.00 0.00 C ATOM 980 CG2 VAL A 69 -8.547 7.585 -2.368 1.00 0.00 C ATOM 0 H VAL A 69 -6.799 8.485 1.229 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.950 9.536 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.945 7.048 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.003 6.018 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.210 7.047 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.655 7.635 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.808 6.553 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.452 8.191 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.875 7.971 -3.134 1.00 0.00 H new ATOM 990 N ASP A 70 -9.306 10.480 -1.436 1.00 0.00 N ATOM 991 CA ASP A 70 -10.526 11.270 -1.310 1.00 0.00 C ATOM 992 C ASP A 70 -11.657 10.657 -2.130 1.00 0.00 C ATOM 993 O ASP A 70 -11.428 10.098 -3.202 1.00 0.00 O ATOM 994 CB ASP A 70 -10.276 12.710 -1.759 1.00 0.00 C ATOM 995 CG ASP A 70 -11.518 13.362 -2.332 1.00 0.00 C ATOM 996 OD1 ASP A 70 -12.439 13.674 -1.549 1.00 0.00 O ATOM 997 OD2 ASP A 70 -11.571 13.560 -3.565 1.00 0.00 O ATOM 0 H ASP A 70 -8.932 10.430 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.821 11.272 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.920 13.295 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.485 12.722 -2.508 1.00 0.00 H new ATOM 1002 N GLY A 71 -12.879 10.765 -1.617 1.00 0.00 N ATOM 1003 CA GLY A 71 -14.027 10.217 -2.315 1.00 0.00 C ATOM 1004 C GLY A 71 -14.228 8.741 -2.030 1.00 0.00 C ATOM 1005 O GLY A 71 -14.093 7.905 -2.923 1.00 0.00 O ATOM 0 H GLY A 71 -13.094 11.222 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.922 10.766 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.900 10.363 -3.388 1.00 0.00 H new ATOM 1009 N LEU A 72 -14.550 8.420 -0.781 1.00 0.00 N ATOM 1010 CA LEU A 72 -14.768 7.035 -0.380 1.00 0.00 C ATOM 1011 C LEU A 72 -16.224 6.805 0.013 1.00 0.00 C ATOM 1012 O LEU A 72 -16.829 7.625 0.704 1.00 0.00 O ATOM 1013 CB LEU A 72 -13.850 6.671 0.788 1.00 0.00 C ATOM 1014 CG LEU A 72 -12.349 6.820 0.534 1.00 0.00 C ATOM 1015 CD1 LEU A 72 -11.566 6.603 1.819 1.00 0.00 C ATOM 1016 CD2 LEU A 72 -11.891 5.848 -0.543 1.00 0.00 C ATOM 0 H LEU A 72 -14.666 9.100 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.535 6.395 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.117 7.294 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.049 5.638 1.072 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.158 7.834 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.500 6.713 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.874 7.340 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.762 5.601 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.821 5.968 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.096 4.827 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.428 6.052 -1.469 1.00 0.00 H new ATOM 1028 N HIS A 73 -16.781 5.682 -0.432 1.00 0.00 N ATOM 1029 CA HIS A 73 -18.165 5.342 -0.125 1.00 0.00 C ATOM 1030 C HIS A 73 -18.410 5.367 1.381 1.00 0.00 C ATOM 1031 O HIS A 73 -17.559 4.946 2.166 1.00 0.00 O ATOM 1032 CB HIS A 73 -18.511 3.963 -0.686 1.00 0.00 C ATOM 1033 CG HIS A 73 -18.863 3.980 -2.142 1.00 0.00 C ATOM 1034 ND1 HIS A 73 -18.438 3.014 -3.030 1.00 0.00 N ATOM 1035 CD2 HIS A 73 -19.605 4.852 -2.863 1.00 0.00 C ATOM 1036 CE1 HIS A 73 -18.902 3.293 -4.235 1.00 0.00 C ATOM 1037 NE2 HIS A 73 -19.614 4.403 -4.161 1.00 0.00 N ATOM 0 H HIS A 73 -16.295 4.993 -1.006 1.00 0.00 H new ATOM 0 HA HIS A 73 -18.808 6.088 -0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -17.664 3.295 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -19.348 3.550 -0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -20.098 5.736 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -18.729 2.712 -5.129 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -20.093 4.853 -4.941 1.00 0.00 H new ATOM 1046 N PHE A 74 -19.577 5.864 1.778 1.00 0.00 N ATOM 1047 CA PHE A 74 -19.932 5.945 3.190 1.00 0.00 C ATOM 1048 C PHE A 74 -20.929 4.852 3.564 1.00 0.00 C ATOM 1049 O PHE A 74 -21.750 4.440 2.746 1.00 0.00 O ATOM 1050 CB PHE A 74 -20.522 7.320 3.511 1.00 0.00 C ATOM 1051 CG PHE A 74 -21.506 7.805 2.485 1.00 0.00 C ATOM 1052 CD1 PHE A 74 -21.075 8.509 1.372 1.00 0.00 C ATOM 1053 CD2 PHE A 74 -22.861 7.557 2.634 1.00 0.00 C ATOM 1054 CE1 PHE A 74 -21.978 8.956 0.425 1.00 0.00 C ATOM 1055 CE2 PHE A 74 -23.768 8.001 1.691 1.00 0.00 C ATOM 1056 CZ PHE A 74 -23.326 8.702 0.586 1.00 0.00 C ATOM 0 H PHE A 74 -20.292 6.216 1.142 1.00 0.00 H new ATOM 0 HA PHE A 74 -19.024 5.800 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -21.014 7.277 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -19.711 8.044 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -20.022 8.711 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -23.212 7.011 3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -21.630 9.503 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -24.822 7.800 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 74 -24.034 9.051 -0.151 1.00 0.00 H new ATOM 1066 N ASN A 75 -20.850 4.386 4.806 1.00 0.00 N ATOM 1067 CA ASN A 75 -21.744 3.340 5.289 1.00 0.00 C ATOM 1068 C ASN A 75 -21.386 1.991 4.673 1.00 0.00 C ATOM 1069 O ASN A 75 -22.254 1.146 4.456 1.00 0.00 O ATOM 1070 CB ASN A 75 -23.197 3.692 4.964 1.00 0.00 C ATOM 1071 CG ASN A 75 -24.169 3.138 5.988 1.00 0.00 C ATOM 1072 OD1 ASN A 75 -25.286 3.635 6.133 1.00 0.00 O ATOM 1073 ND2 ASN A 75 -23.747 2.103 6.704 1.00 0.00 N ATOM 0 H ASN A 75 -20.176 4.716 5.497 1.00 0.00 H new ATOM 0 HA ASN A 75 -21.628 3.268 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -23.303 4.776 4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -23.451 3.302 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -24.357 1.687 7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -22.813 1.723 6.550 1.00 0.00 H new ATOM 1080 N SER A 76 -20.101 1.797 4.394 1.00 0.00 N ATOM 1081 CA SER A 76 -19.627 0.552 3.800 1.00 0.00 C ATOM 1082 C SER A 76 -18.230 0.206 4.304 1.00 0.00 C ATOM 1083 O SER A 76 -17.436 1.091 4.628 1.00 0.00 O ATOM 1084 CB SER A 76 -19.619 0.662 2.274 1.00 0.00 C ATOM 1085 OG SER A 76 -20.881 0.316 1.731 1.00 0.00 O ATOM 0 H SER A 76 -19.369 2.486 4.570 1.00 0.00 H new ATOM 0 HA SER A 76 -20.308 -0.246 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 76 -19.360 1.679 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 76 -18.851 0.007 1.863 1.00 0.00 H new ATOM 0 HG SER A 76 -21.580 0.475 2.400 1.00 0.00 H new ATOM 1091 N THR A 77 -17.934 -1.088 4.368 1.00 0.00 N ATOM 1092 CA THR A 77 -16.633 -1.553 4.834 1.00 0.00 C ATOM 1093 C THR A 77 -15.601 -1.510 3.713 1.00 0.00 C ATOM 1094 O THR A 77 -15.919 -1.768 2.552 1.00 0.00 O ATOM 1095 CB THR A 77 -16.714 -2.988 5.387 1.00 0.00 C ATOM 1096 OG1 THR A 77 -17.827 -3.106 6.281 1.00 0.00 O ATOM 1097 CG2 THR A 77 -15.431 -3.361 6.114 1.00 0.00 C ATOM 0 H THR A 77 -18.578 -1.833 4.103 1.00 0.00 H new ATOM 0 HA THR A 77 -16.325 -0.880 5.635 1.00 0.00 H new ATOM 0 HB THR A 77 -16.849 -3.670 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.873 -4.022 6.627 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.512 -4.379 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.590 -3.298 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.270 -2.674 6.945 1.00 0.00 H new ATOM 1105 N TYR A 78 -14.363 -1.183 4.067 1.00 0.00 N ATOM 1106 CA TYR A 78 -13.283 -1.105 3.090 1.00 0.00 C ATOM 1107 C TYR A 78 -12.072 -1.909 3.552 1.00 0.00 C ATOM 1108 O TYR A 78 -11.966 -2.277 4.721 1.00 0.00 O ATOM 1109 CB TYR A 78 -12.883 0.352 2.857 1.00 0.00 C ATOM 1110 CG TYR A 78 -13.622 1.007 1.712 1.00 0.00 C ATOM 1111 CD1 TYR A 78 -14.913 1.494 1.880 1.00 0.00 C ATOM 1112 CD2 TYR A 78 -13.031 1.138 0.461 1.00 0.00 C ATOM 1113 CE1 TYR A 78 -15.592 2.092 0.836 1.00 0.00 C ATOM 1114 CE2 TYR A 78 -13.702 1.737 -0.587 1.00 0.00 C ATOM 1115 CZ TYR A 78 -14.983 2.212 -0.395 1.00 0.00 C ATOM 1116 OH TYR A 78 -15.655 2.807 -1.437 1.00 0.00 O ATOM 0 H TYR A 78 -14.082 -0.968 5.024 1.00 0.00 H new ATOM 0 HA TYR A 78 -13.643 -1.530 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -13.066 0.920 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -11.812 0.399 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.393 1.403 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.029 0.765 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.595 2.464 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.226 1.833 -1.552 1.00 0.00 H new ATOM 0 HH TYR A 78 -15.084 2.812 -2.234 1.00 0.00 H new ATOM 1126 N ASN A 79 -11.159 -2.177 2.623 1.00 0.00 N ATOM 1127 CA ASN A 79 -9.954 -2.938 2.933 1.00 0.00 C ATOM 1128 C ASN A 79 -8.773 -2.450 2.099 1.00 0.00 C ATOM 1129 O ASN A 79 -8.819 -2.470 0.870 1.00 0.00 O ATOM 1130 CB ASN A 79 -10.188 -4.429 2.683 1.00 0.00 C ATOM 1131 CG ASN A 79 -11.390 -4.960 3.440 1.00 0.00 C ATOM 1132 OD1 ASN A 79 -12.400 -5.331 2.842 1.00 0.00 O ATOM 1133 ND2 ASN A 79 -11.285 -5.000 4.764 1.00 0.00 N ATOM 0 H ASN A 79 -11.231 -1.879 1.650 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.720 -2.786 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.331 -4.598 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.300 -4.988 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.061 -5.349 5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.428 -4.682 5.218 1.00 0.00 H new ATOM 1140 N ALA A 80 -7.718 -2.012 2.777 1.00 0.00 N ATOM 1141 CA ALA A 80 -6.524 -1.521 2.099 1.00 0.00 C ATOM 1142 C ALA A 80 -5.302 -2.356 2.466 1.00 0.00 C ATOM 1143 O ALA A 80 -5.300 -3.061 3.476 1.00 0.00 O ATOM 1144 CB ALA A 80 -6.287 -0.057 2.441 1.00 0.00 C ATOM 0 H ALA A 80 -7.665 -1.987 3.795 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.684 -1.611 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.392 0.296 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.145 0.535 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.153 0.048 3.518 1.00 0.00 H new ATOM 1150 N ARG A 81 -4.265 -2.273 1.640 1.00 0.00 N ATOM 1151 CA ARG A 81 -3.037 -3.023 1.877 1.00 0.00 C ATOM 1152 C ARG A 81 -1.855 -2.371 1.165 1.00 0.00 C ATOM 1153 O ARG A 81 -1.835 -2.269 -0.062 1.00 0.00 O ATOM 1154 CB ARG A 81 -3.198 -4.469 1.402 1.00 0.00 C ATOM 1155 CG ARG A 81 -4.139 -4.620 0.218 1.00 0.00 C ATOM 1156 CD ARG A 81 -4.003 -5.988 -0.431 1.00 0.00 C ATOM 1157 NE ARG A 81 -3.979 -7.063 0.557 1.00 0.00 N ATOM 1158 CZ ARG A 81 -5.042 -7.441 1.257 1.00 0.00 C ATOM 1159 NH1 ARG A 81 -6.208 -6.835 1.079 1.00 0.00 N ATOM 1160 NH2 ARG A 81 -4.941 -8.428 2.139 1.00 0.00 N ATOM 0 H ARG A 81 -4.250 -1.694 0.800 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.840 -3.019 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.219 -4.864 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.568 -5.075 2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.167 -4.473 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.927 -3.844 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.833 -6.147 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.088 -6.019 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.097 -7.550 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.290 -6.076 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.023 -7.128 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.046 -8.897 2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.758 -8.718 2.676 1.00 0.00 H new ATOM 1174 N VAL A 82 -0.872 -1.930 1.943 1.00 0.00 N ATOM 1175 CA VAL A 82 0.313 -1.288 1.388 1.00 0.00 C ATOM 1176 C VAL A 82 1.495 -2.251 1.355 1.00 0.00 C ATOM 1177 O VAL A 82 1.758 -2.961 2.325 1.00 0.00 O ATOM 1178 CB VAL A 82 0.706 -0.038 2.198 1.00 0.00 C ATOM 1179 CG1 VAL A 82 1.436 -0.434 3.472 1.00 0.00 C ATOM 1180 CG2 VAL A 82 1.559 0.897 1.353 1.00 0.00 C ATOM 0 H VAL A 82 -0.873 -2.006 2.960 1.00 0.00 H new ATOM 0 HA VAL A 82 0.063 -0.988 0.370 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.204 0.492 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.705 0.462 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.787 -1.061 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.340 -0.988 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.828 1.775 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.465 0.379 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.996 1.208 0.473 1.00 0.00 H new ATOM 1190 N LYS A 83 2.205 -2.268 0.232 1.00 0.00 N ATOM 1191 CA LYS A 83 3.361 -3.142 0.072 1.00 0.00 C ATOM 1192 C LYS A 83 4.548 -2.375 -0.503 1.00 0.00 C ATOM 1193 O LYS A 83 4.378 -1.327 -1.126 1.00 0.00 O ATOM 1194 CB LYS A 83 3.013 -4.321 -0.840 1.00 0.00 C ATOM 1195 CG LYS A 83 2.581 -3.904 -2.235 1.00 0.00 C ATOM 1196 CD LYS A 83 2.932 -4.962 -3.268 1.00 0.00 C ATOM 1197 CE LYS A 83 2.927 -4.389 -4.677 1.00 0.00 C ATOM 1198 NZ LYS A 83 4.177 -3.636 -4.973 1.00 0.00 N ATOM 0 H LYS A 83 2.000 -1.687 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 83 3.637 -3.520 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.880 -4.977 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.214 -4.902 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.506 -3.726 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.062 -2.962 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.915 -5.376 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.218 -5.784 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.811 -5.198 -5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.068 -3.729 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.462 -3.809 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.010 -2.619 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.933 -3.953 -4.333 1.00 0.00 H new ATOM 1212 N ALA A 84 5.748 -2.904 -0.291 1.00 0.00 N ATOM 1213 CA ALA A 84 6.962 -2.271 -0.791 1.00 0.00 C ATOM 1214 C ALA A 84 7.474 -2.977 -2.042 1.00 0.00 C ATOM 1215 O ALA A 84 7.162 -4.144 -2.280 1.00 0.00 O ATOM 1216 CB ALA A 84 8.034 -2.259 0.288 1.00 0.00 C ATOM 0 H ALA A 84 5.906 -3.770 0.224 1.00 0.00 H new ATOM 0 HA ALA A 84 6.722 -1.242 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.935 -1.783 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.673 -1.703 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.263 -3.283 0.585 1.00 0.00 H new ATOM 1222 N PHE A 85 8.262 -2.262 -2.839 1.00 0.00 N ATOM 1223 CA PHE A 85 8.816 -2.820 -4.066 1.00 0.00 C ATOM 1224 C PHE A 85 10.061 -2.051 -4.500 1.00 0.00 C ATOM 1225 O PHE A 85 10.126 -0.830 -4.366 1.00 0.00 O ATOM 1226 CB PHE A 85 7.771 -2.792 -5.183 1.00 0.00 C ATOM 1227 CG PHE A 85 7.673 -1.464 -5.879 1.00 0.00 C ATOM 1228 CD1 PHE A 85 8.531 -1.149 -6.921 1.00 0.00 C ATOM 1229 CD2 PHE A 85 6.725 -0.532 -5.492 1.00 0.00 C ATOM 1230 CE1 PHE A 85 8.444 0.071 -7.564 1.00 0.00 C ATOM 1231 CE2 PHE A 85 6.633 0.690 -6.132 1.00 0.00 C ATOM 1232 CZ PHE A 85 7.494 0.992 -7.168 1.00 0.00 C ATOM 0 H PHE A 85 8.531 -1.295 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 85 9.099 -3.854 -3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.014 -3.561 -5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.797 -3.047 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.276 -1.865 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.050 -0.762 -4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.118 0.304 -8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.888 1.408 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.425 1.947 -7.668 1.00 0.00 H new ATOM 1242 N ASN A 86 11.046 -2.776 -5.019 1.00 0.00 N ATOM 1243 CA ASN A 86 12.290 -2.163 -5.472 1.00 0.00 C ATOM 1244 C ASN A 86 12.944 -3.002 -6.565 1.00 0.00 C ATOM 1245 O ASN A 86 12.384 -4.002 -7.015 1.00 0.00 O ATOM 1246 CB ASN A 86 13.255 -1.992 -4.298 1.00 0.00 C ATOM 1247 CG ASN A 86 13.617 -3.314 -3.649 1.00 0.00 C ATOM 1248 OD1 ASN A 86 13.466 -4.376 -4.253 1.00 0.00 O ATOM 1249 ND2 ASN A 86 14.097 -3.254 -2.412 1.00 0.00 N ATOM 0 H ASN A 86 11.007 -3.788 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 86 12.053 -1.182 -5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.163 -1.501 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.804 -1.336 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.358 -4.111 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.205 -2.351 -1.950 1.00 0.00 H new ATOM 1256 N LYS A 87 14.134 -2.590 -6.987 1.00 0.00 N ATOM 1257 CA LYS A 87 14.868 -3.303 -8.026 1.00 0.00 C ATOM 1258 C LYS A 87 14.690 -4.811 -7.879 1.00 0.00 C ATOM 1259 O LYS A 87 14.434 -5.515 -8.856 1.00 0.00 O ATOM 1260 CB LYS A 87 16.355 -2.946 -7.966 1.00 0.00 C ATOM 1261 CG LYS A 87 16.705 -1.672 -8.714 1.00 0.00 C ATOM 1262 CD LYS A 87 16.817 -1.916 -10.210 1.00 0.00 C ATOM 1263 CE LYS A 87 16.924 -0.610 -10.981 1.00 0.00 C ATOM 1264 NZ LYS A 87 17.068 -0.841 -12.446 1.00 0.00 N ATOM 0 H LYS A 87 14.612 -1.765 -6.625 1.00 0.00 H new ATOM 0 HA LYS A 87 14.467 -2.999 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.652 -2.838 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.935 -3.771 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.943 -0.916 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.648 -1.275 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.692 -2.533 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.946 -2.473 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.037 -0.004 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.780 -0.042 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.138 0.073 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.928 -1.397 -12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.239 -1.360 -12.799 1.00 0.00 H new ATOM 1278 N THR A 88 14.826 -5.302 -6.651 1.00 0.00 N ATOM 1279 CA THR A 88 14.681 -6.726 -6.376 1.00 0.00 C ATOM 1280 C THR A 88 13.405 -7.278 -7.001 1.00 0.00 C ATOM 1281 O THR A 88 13.451 -7.993 -8.001 1.00 0.00 O ATOM 1282 CB THR A 88 14.661 -7.006 -4.862 1.00 0.00 C ATOM 1283 OG1 THR A 88 15.820 -6.438 -4.243 1.00 0.00 O ATOM 1284 CG2 THR A 88 14.615 -8.502 -4.589 1.00 0.00 C ATOM 0 H THR A 88 15.037 -4.734 -5.831 1.00 0.00 H new ATOM 0 HA THR A 88 15.544 -7.224 -6.818 1.00 0.00 H new ATOM 0 HB THR A 88 13.765 -6.549 -4.442 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.774 -6.575 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.602 -8.675 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.716 -8.926 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.495 -8.978 -5.022 1.00 0.00 H new ATOM 1292 N GLY A 89 12.265 -6.942 -6.404 1.00 0.00 N ATOM 1293 CA GLY A 89 10.992 -7.413 -6.917 1.00 0.00 C ATOM 1294 C GLY A 89 9.811 -6.762 -6.224 1.00 0.00 C ATOM 1295 O GLY A 89 9.480 -5.609 -6.497 1.00 0.00 O ATOM 0 H GLY A 89 12.201 -6.352 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.938 -7.211 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.931 -8.494 -6.793 1.00 0.00 H new ATOM 1299 N VAL A 90 9.172 -7.504 -5.325 1.00 0.00 N ATOM 1300 CA VAL A 90 8.020 -6.993 -4.591 1.00 0.00 C ATOM 1301 C VAL A 90 7.798 -7.777 -3.302 1.00 0.00 C ATOM 1302 O VAL A 90 8.092 -8.970 -3.231 1.00 0.00 O ATOM 1303 CB VAL A 90 6.739 -7.055 -5.444 1.00 0.00 C ATOM 1304 CG1 VAL A 90 6.539 -5.752 -6.202 1.00 0.00 C ATOM 1305 CG2 VAL A 90 6.793 -8.236 -6.402 1.00 0.00 C ATOM 0 H VAL A 90 9.433 -8.461 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 90 8.235 -5.953 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 90 5.887 -7.195 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.629 -5.814 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.452 -4.928 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.392 -5.578 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.880 -8.264 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.653 -8.129 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.885 -9.162 -5.834 1.00 0.00 H new ATOM 1315 N SER A 91 7.278 -7.097 -2.286 1.00 0.00 N ATOM 1316 CA SER A 91 7.019 -7.728 -0.997 1.00 0.00 C ATOM 1317 C SER A 91 5.531 -8.015 -0.822 1.00 0.00 C ATOM 1318 O SER A 91 4.678 -7.446 -1.503 1.00 0.00 O ATOM 1319 CB SER A 91 7.515 -6.834 0.141 1.00 0.00 C ATOM 1320 OG SER A 91 8.863 -7.125 0.468 1.00 0.00 O ATOM 0 H SER A 91 7.028 -6.109 -2.330 1.00 0.00 H new ATOM 0 HA SER A 91 7.560 -8.674 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.426 -5.787 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.886 -6.976 1.020 1.00 0.00 H new ATOM 0 HG SER A 91 9.091 -6.702 1.322 1.00 0.00 H new ATOM 1326 N PRO A 92 5.210 -8.921 0.114 1.00 0.00 N ATOM 1327 CA PRO A 92 3.825 -9.305 0.402 1.00 0.00 C ATOM 1328 C PRO A 92 3.041 -8.185 1.078 1.00 0.00 C ATOM 1329 O PRO A 92 3.581 -7.445 1.900 1.00 0.00 O ATOM 1330 CB PRO A 92 3.977 -10.498 1.350 1.00 0.00 C ATOM 1331 CG PRO A 92 5.304 -10.300 1.997 1.00 0.00 C ATOM 1332 CD PRO A 92 6.175 -9.639 0.964 1.00 0.00 C ATOM 0 HA PRO A 92 3.268 -9.533 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.176 -10.521 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.938 -11.443 0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.215 -9.678 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.729 -11.252 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.893 -8.958 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.747 -10.370 0.393 1.00 0.00 H new ATOM 1340 N TYR A 93 1.766 -8.066 0.725 1.00 0.00 N ATOM 1341 CA TYR A 93 0.908 -7.034 1.296 1.00 0.00 C ATOM 1342 C TYR A 93 0.921 -7.098 2.821 1.00 0.00 C ATOM 1343 O TYR A 93 1.420 -8.056 3.409 1.00 0.00 O ATOM 1344 CB TYR A 93 -0.524 -7.188 0.780 1.00 0.00 C ATOM 1345 CG TYR A 93 -0.678 -6.851 -0.686 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -0.786 -5.531 -1.107 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -0.718 -7.851 -1.649 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -0.929 -5.217 -2.445 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -0.858 -7.547 -2.989 1.00 0.00 C ATOM 1350 CZ TYR A 93 -0.963 -6.228 -3.382 1.00 0.00 C ATOM 1351 OH TYR A 93 -1.105 -5.921 -4.716 1.00 0.00 O ATOM 0 H TYR A 93 1.304 -8.671 0.046 1.00 0.00 H new ATOM 0 HA TYR A 93 1.295 -6.063 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.852 -8.214 0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.183 -6.545 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.758 -4.737 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.638 -8.884 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.014 -4.186 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.885 -8.337 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.109 -6.747 -5.243 1.00 0.00 H new ATOM 1361 N SER A 94 0.366 -6.069 3.454 1.00 0.00 N ATOM 1362 CA SER A 94 0.315 -6.004 4.909 1.00 0.00 C ATOM 1363 C SER A 94 -1.017 -6.534 5.430 1.00 0.00 C ATOM 1364 O SER A 94 -1.968 -6.714 4.669 1.00 0.00 O ATOM 1365 CB SER A 94 0.526 -4.565 5.385 1.00 0.00 C ATOM 1366 OG SER A 94 1.613 -3.959 4.708 1.00 0.00 O ATOM 0 H SER A 94 -0.055 -5.269 2.981 1.00 0.00 H new ATOM 0 HA SER A 94 1.115 -6.630 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.381 -3.985 5.215 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.712 -4.557 6.459 1.00 0.00 H new ATOM 0 HG SER A 94 2.329 -3.764 5.348 1.00 0.00 H new ATOM 1372 N LYS A 95 -1.079 -6.783 6.734 1.00 0.00 N ATOM 1373 CA LYS A 95 -2.293 -7.291 7.360 1.00 0.00 C ATOM 1374 C LYS A 95 -3.513 -6.493 6.909 1.00 0.00 C ATOM 1375 O LYS A 95 -3.613 -5.293 7.165 1.00 0.00 O ATOM 1376 CB LYS A 95 -2.169 -7.233 8.885 1.00 0.00 C ATOM 1377 CG LYS A 95 -3.434 -7.647 9.615 1.00 0.00 C ATOM 1378 CD LYS A 95 -3.542 -9.159 9.730 1.00 0.00 C ATOM 1379 CE LYS A 95 -4.796 -9.572 10.486 1.00 0.00 C ATOM 1380 NZ LYS A 95 -5.104 -11.017 10.301 1.00 0.00 N ATOM 0 H LYS A 95 -0.301 -6.641 7.378 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.424 -8.328 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.350 -7.880 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.905 -6.218 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.442 -7.204 10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.304 -7.258 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.554 -9.601 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.662 -9.550 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.666 -9.361 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.640 -8.974 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.965 -11.259 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.253 -11.214 9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.309 -11.589 10.651 1.00 0.00 H new ATOM 1394 N THR A 96 -4.440 -7.168 6.236 1.00 0.00 N ATOM 1395 CA THR A 96 -5.652 -6.523 5.749 1.00 0.00 C ATOM 1396 C THR A 96 -6.117 -5.432 6.707 1.00 0.00 C ATOM 1397 O THR A 96 -6.525 -5.713 7.835 1.00 0.00 O ATOM 1398 CB THR A 96 -6.792 -7.541 5.557 1.00 0.00 C ATOM 1399 OG1 THR A 96 -6.271 -8.767 5.031 1.00 0.00 O ATOM 1400 CG2 THR A 96 -7.856 -6.992 4.619 1.00 0.00 C ATOM 0 H THR A 96 -4.374 -8.162 6.016 1.00 0.00 H new ATOM 0 HA THR A 96 -5.407 -6.077 4.785 1.00 0.00 H new ATOM 0 HB THR A 96 -7.249 -7.728 6.529 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.002 -9.409 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.650 -7.729 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.272 -6.075 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.410 -6.778 3.648 1.00 0.00 H new ATOM 1408 N LEU A 97 -6.053 -4.185 6.252 1.00 0.00 N ATOM 1409 CA LEU A 97 -6.468 -3.050 7.069 1.00 0.00 C ATOM 1410 C LEU A 97 -7.866 -2.581 6.679 1.00 0.00 C ATOM 1411 O LEU A 97 -8.074 -2.055 5.585 1.00 0.00 O ATOM 1412 CB LEU A 97 -5.472 -1.899 6.921 1.00 0.00 C ATOM 1413 CG LEU A 97 -5.883 -0.570 7.557 1.00 0.00 C ATOM 1414 CD1 LEU A 97 -5.569 -0.571 9.045 1.00 0.00 C ATOM 1415 CD2 LEU A 97 -5.185 0.591 6.863 1.00 0.00 C ATOM 0 H LEU A 97 -5.718 -3.935 5.322 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.490 -3.372 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.522 -2.209 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.296 -1.731 5.858 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.959 -0.447 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.868 0.382 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.115 -1.379 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.499 -0.717 9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.489 1.529 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.105 0.474 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.460 0.603 5.808 1.00 0.00 H new ATOM 1427 N VAL A 98 -8.823 -2.773 7.582 1.00 0.00 N ATOM 1428 CA VAL A 98 -10.201 -2.366 7.334 1.00 0.00 C ATOM 1429 C VAL A 98 -10.375 -0.865 7.531 1.00 0.00 C ATOM 1430 O VAL A 98 -9.755 -0.267 8.413 1.00 0.00 O ATOM 1431 CB VAL A 98 -11.181 -3.112 8.259 1.00 0.00 C ATOM 1432 CG1 VAL A 98 -12.611 -2.666 7.992 1.00 0.00 C ATOM 1433 CG2 VAL A 98 -11.040 -4.616 8.082 1.00 0.00 C ATOM 0 H VAL A 98 -8.669 -3.208 8.492 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.425 -2.621 6.298 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.937 -2.867 9.293 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.289 -3.203 8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.698 -1.595 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -12.871 -2.880 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.740 -5.127 8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.257 -4.883 7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.022 -4.917 8.328 1.00 0.00 H new ATOM 1443 N LEU A 99 -11.222 -0.259 6.706 1.00 0.00 N ATOM 1444 CA LEU A 99 -11.479 1.174 6.790 1.00 0.00 C ATOM 1445 C LEU A 99 -12.976 1.455 6.873 1.00 0.00 C ATOM 1446 O LEU A 99 -13.571 1.981 5.933 1.00 0.00 O ATOM 1447 CB LEU A 99 -10.880 1.891 5.579 1.00 0.00 C ATOM 1448 CG LEU A 99 -9.496 1.417 5.135 1.00 0.00 C ATOM 1449 CD1 LEU A 99 -9.103 2.074 3.821 1.00 0.00 C ATOM 1450 CD2 LEU A 99 -8.461 1.712 6.211 1.00 0.00 C ATOM 0 H LEU A 99 -11.742 -0.738 5.971 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.007 1.550 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -11.567 1.780 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.822 2.956 5.804 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.534 0.339 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.115 1.725 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.830 1.813 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -9.082 3.156 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.482 1.368 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.425 2.786 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.734 1.194 7.130 1.00 0.00 H new ATOM 1462 N GLN A 100 -13.577 1.102 8.005 1.00 0.00 N ATOM 1463 CA GLN A 100 -15.005 1.318 8.210 1.00 0.00 C ATOM 1464 C GLN A 100 -15.348 2.802 8.130 1.00 0.00 C ATOM 1465 O GLN A 100 -14.821 3.615 8.891 1.00 0.00 O ATOM 1466 CB GLN A 100 -15.437 0.755 9.565 1.00 0.00 C ATOM 1467 CG GLN A 100 -15.822 -0.715 9.518 1.00 0.00 C ATOM 1468 CD GLN A 100 -15.589 -1.422 10.839 1.00 0.00 C ATOM 1469 OE1 GLN A 100 -16.345 -1.244 11.794 1.00 0.00 O ATOM 1470 NE2 GLN A 100 -14.537 -2.230 10.900 1.00 0.00 N ATOM 0 H GLN A 100 -13.098 0.666 8.793 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.544 0.796 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.624 0.887 10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.284 1.332 9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.873 -0.803 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.246 -1.213 8.737 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.937 -2.348 10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.329 -2.733 11.763 1.00 0.00 H new ATOM 1479 N THR A 101 -16.235 3.150 7.203 1.00 0.00 N ATOM 1480 CA THR A 101 -16.648 4.536 7.023 1.00 0.00 C ATOM 1481 C THR A 101 -17.923 4.836 7.803 1.00 0.00 C ATOM 1482 O THR A 101 -18.550 3.934 8.357 1.00 0.00 O ATOM 1483 CB THR A 101 -16.881 4.863 5.535 1.00 0.00 C ATOM 1484 OG1 THR A 101 -17.872 3.985 4.990 1.00 0.00 O ATOM 1485 CG2 THR A 101 -15.589 4.733 4.744 1.00 0.00 C ATOM 0 H THR A 101 -16.681 2.491 6.565 1.00 0.00 H new ATOM 0 HA THR A 101 -15.838 5.159 7.403 1.00 0.00 H new ATOM 0 HB THR A 101 -17.230 5.893 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 101 -17.487 3.092 4.869 1.00 0.00 H new ATOM 0 HG21 THR A 101 -15.778 4.969 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.847 5.424 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 101 -15.214 3.713 4.824 1.00 0.00 H new ATOM 1493 N SER A 102 -18.301 6.110 7.842 1.00 0.00 N ATOM 1494 CA SER A 102 -19.500 6.530 8.557 1.00 0.00 C ATOM 1495 C SER A 102 -20.744 6.332 7.696 1.00 0.00 C ATOM 1496 O SER A 102 -20.669 6.345 6.468 1.00 0.00 O ATOM 1497 CB SER A 102 -19.383 7.997 8.975 1.00 0.00 C ATOM 1498 OG SER A 102 -19.072 8.820 7.864 1.00 0.00 O ATOM 0 H SER A 102 -17.794 6.869 7.387 1.00 0.00 H new ATOM 0 HA SER A 102 -19.596 5.912 9.450 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.320 8.326 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.610 8.101 9.736 1.00 0.00 H new ATOM 0 HG SER A 102 -19.004 9.753 8.157 1.00 0.00 H new