USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 874 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 7 ASN : amide:sc= -2.25 K(o=-1.3,f=-7.8!) USER MOD Set 1.2: A 113 THR OG1 : rot -6:sc= 0.952 USER MOD Set 2.1: A 86 ASN : amide:sc= -1.9! K(o=-7.8!,f=-6.2) USER MOD Set 2.2: A 89 GLN : amide:sc= -5.86! C(o=-7.8!,f=-9!) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 151:sc= 1.27 (180deg=-0.13) USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= 0.252 USER MOD Single : A 2 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.5) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.52 USER MOD Single : A 8 GLN : amide:sc= -12.2! C(o=-12!,f=-6!) USER MOD Single : A 9 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.37) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= 1.14 (180deg=-0.641) USER MOD Single : A 15 SER OG : rot -80:sc= 1.59 USER MOD Single : A 20 SER OG : rot -92:sc= 1.24 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 34 MET CE :methyl -135:sc= -1.3 (180deg=-2.31!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.573 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 82:sc= 0.0199 USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.913 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 20:sc= -4.37! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.429 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0.265 (180deg=-0.103) USER MOD Single : A 57 SER OG : rot 101:sc= 0.00195 USER MOD Single : A 58 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=0.49) USER MOD Single : A 62 SER OG : rot 93:sc= 0.88 USER MOD Single : A 63 SER OG : rot 92:sc= -0.207 USER MOD Single : A 66 SER OG : rot 82:sc= 0.562 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 84 LYS NZ :NH3+ -130:sc= 1.1 (180deg=-0.0666!) USER MOD Single : A 87 GLN : amide:sc= -0.964! C(o=-0.96!,f=-1.4!) USER MOD Single : A 91 GLN : amide:sc= 0.179 K(o=0.18,f=-0.39) USER MOD Single : A 93 MET CE :methyl -127:sc= -2.65! (180deg=-2.97!) USER MOD Single : A 95 THR OG1 : rot 128:sc= 1.3 USER MOD Single : A 96 SER OG : rot -24:sc= 0.0252 USER MOD Single : A 98 MET CE :methyl -124:sc= -1.02 (180deg=-2.35) USER MOD Single : A 103 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-3.3!) USER MOD Single : A 105 THR OG1 : rot 23:sc= 1.16 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 73:sc= 0.428 USER MOD Single : A 114 ASN : amide:sc= -0.727 K(o=-0.73,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 0.252 6.039 7.744 1.00 0.00 N ATOM 19 CA ASN A 2 -0.872 6.482 6.939 1.00 0.00 C ATOM 20 C ASN A 2 -1.737 7.337 7.844 1.00 0.00 C ATOM 21 O ASN A 2 -2.698 6.875 8.414 1.00 0.00 O ATOM 22 CB ASN A 2 -1.688 5.296 6.398 1.00 0.00 C ATOM 23 CG ASN A 2 -0.845 4.300 5.628 1.00 0.00 C ATOM 24 OD1 ASN A 2 -0.625 4.453 4.440 1.00 0.00 O ATOM 25 ND2 ASN A 2 -0.392 3.249 6.299 1.00 0.00 N ATOM 0 HA ASN A 2 -0.517 7.038 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.173 4.786 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.479 5.672 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.160 2.537 5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.595 3.153 7.294 1.00 0.00 H new ATOM 32 N THR A 3 -1.328 8.557 8.036 1.00 0.00 N ATOM 33 CA THR A 3 -1.932 9.380 9.040 1.00 0.00 C ATOM 34 C THR A 3 -2.927 10.400 8.459 1.00 0.00 C ATOM 35 O THR A 3 -3.322 10.343 7.264 1.00 0.00 O ATOM 36 CB THR A 3 -0.814 10.086 9.860 1.00 0.00 C ATOM 37 OG1 THR A 3 -1.347 10.691 11.051 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.132 11.147 9.011 1.00 0.00 C ATOM 0 H THR A 3 -0.577 9.004 7.509 1.00 0.00 H new ATOM 0 HA THR A 3 -2.519 8.736 9.695 1.00 0.00 H new ATOM 0 HB THR A 3 -0.085 9.330 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.624 11.126 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.648 11.634 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.311 10.680 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.866 11.889 8.696 1.00 0.00 H new ATOM 46 N ASP A 4 -3.327 11.308 9.339 1.00 0.00 N ATOM 47 CA ASP A 4 -4.285 12.364 9.075 1.00 0.00 C ATOM 48 C ASP A 4 -3.706 13.397 8.145 1.00 0.00 C ATOM 49 O ASP A 4 -3.155 14.409 8.568 1.00 0.00 O ATOM 50 CB ASP A 4 -4.861 12.981 10.345 1.00 0.00 C ATOM 51 CG ASP A 4 -6.006 13.910 10.031 1.00 0.00 C ATOM 52 OD1 ASP A 4 -6.953 13.478 9.340 1.00 0.00 O ATOM 53 OD2 ASP A 4 -5.996 15.069 10.491 1.00 0.00 O ATOM 0 H ASP A 4 -2.975 11.326 10.296 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.134 11.903 8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.204 12.191 11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.080 13.528 10.873 1.00 0.00 H new ATOM 58 N VAL A 5 -3.765 13.063 6.870 1.00 0.00 N ATOM 59 CA VAL A 5 -3.232 13.829 5.770 1.00 0.00 C ATOM 60 C VAL A 5 -3.672 13.159 4.475 1.00 0.00 C ATOM 61 O VAL A 5 -4.054 13.804 3.513 1.00 0.00 O ATOM 62 CB VAL A 5 -1.669 13.883 5.804 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.015 12.507 5.667 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.135 14.833 4.747 1.00 0.00 C ATOM 0 H VAL A 5 -4.213 12.200 6.561 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.604 14.851 5.842 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.400 14.260 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.069 12.615 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.340 11.867 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.308 12.058 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.046 14.852 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.452 14.495 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.523 15.835 4.929 1.00 0.00 H new ATOM 74 N LEU A 6 -3.669 11.833 4.489 1.00 0.00 N ATOM 75 CA LEU A 6 -3.945 11.085 3.300 1.00 0.00 C ATOM 76 C LEU A 6 -5.109 10.148 3.452 1.00 0.00 C ATOM 77 O LEU A 6 -5.983 10.156 2.643 1.00 0.00 O ATOM 78 CB LEU A 6 -2.654 10.392 2.804 1.00 0.00 C ATOM 79 CG LEU A 6 -1.865 9.525 3.816 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.400 8.107 3.943 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.379 9.522 3.513 1.00 0.00 C ATOM 0 H LEU A 6 -3.477 11.267 5.315 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.265 11.782 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.918 9.760 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.982 11.164 2.429 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.015 9.997 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.801 7.556 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.437 8.138 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.346 7.610 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.140 8.903 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.212 9.120 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.004 10.541 3.563 1.00 0.00 H new ATOM 93 N ASN A 7 -5.136 9.354 4.480 1.00 0.00 N ATOM 94 CA ASN A 7 -6.195 8.372 4.574 1.00 0.00 C ATOM 95 C ASN A 7 -7.554 9.015 4.880 1.00 0.00 C ATOM 96 O ASN A 7 -8.415 9.059 4.105 1.00 0.00 O ATOM 97 CB ASN A 7 -5.805 7.305 5.567 1.00 0.00 C ATOM 98 CG ASN A 7 -6.074 5.909 5.007 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.134 5.320 5.218 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.116 5.358 4.274 1.00 0.00 N ATOM 0 H ASN A 7 -4.464 9.357 5.247 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.323 7.894 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.748 7.403 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.364 7.443 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.250 4.430 3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.245 5.863 4.111 1.00 0.00 H new ATOM 107 N GLN A 8 -7.621 9.747 5.866 1.00 0.00 N ATOM 108 CA GLN A 8 -8.842 10.338 6.350 1.00 0.00 C ATOM 109 C GLN A 8 -9.137 11.540 5.468 1.00 0.00 C ATOM 110 O GLN A 8 -10.263 11.891 5.242 1.00 0.00 O ATOM 111 CB GLN A 8 -8.736 10.776 7.840 1.00 0.00 C ATOM 112 CG GLN A 8 -8.038 9.797 8.827 1.00 0.00 C ATOM 113 CD GLN A 8 -6.595 9.563 8.464 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.013 8.530 8.733 1.00 0.00 O ATOM 115 NE2 GLN A 8 -6.022 10.537 7.782 1.00 0.00 N ATOM 0 H GLN A 8 -6.804 9.995 6.425 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.645 9.602 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.203 11.726 7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.745 10.963 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.097 10.199 9.838 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.570 8.846 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.542 11.390 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.059 10.437 7.462 1.00 0.00 H new ATOM 124 N GLN A 9 -8.109 12.169 4.926 1.00 0.00 N ATOM 125 CA GLN A 9 -8.355 13.217 3.972 1.00 0.00 C ATOM 126 C GLN A 9 -8.684 12.606 2.614 1.00 0.00 C ATOM 127 O GLN A 9 -9.836 12.428 2.280 1.00 0.00 O ATOM 128 CB GLN A 9 -7.157 14.163 3.836 1.00 0.00 C ATOM 129 CG GLN A 9 -7.041 15.385 4.771 1.00 0.00 C ATOM 130 CD GLN A 9 -6.815 15.122 6.250 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.105 15.878 6.901 1.00 0.00 O ATOM 132 NE2 GLN A 9 -7.489 14.163 6.822 1.00 0.00 N ATOM 0 H GLN A 9 -7.128 11.976 5.126 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.199 13.804 4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.254 13.566 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.149 14.534 2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.221 16.006 4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.954 15.973 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.074 13.545 6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.431 14.031 7.832 1.00 0.00 H new ATOM 141 N LYS A 10 -7.652 12.118 1.937 1.00 0.00 N ATOM 142 CA LYS A 10 -7.735 11.644 0.552 1.00 0.00 C ATOM 143 C LYS A 10 -8.459 10.317 0.418 1.00 0.00 C ATOM 144 O LYS A 10 -8.865 9.959 -0.655 1.00 0.00 O ATOM 145 CB LYS A 10 -6.346 11.498 -0.068 1.00 0.00 C ATOM 146 CG LYS A 10 -5.654 12.744 -0.642 1.00 0.00 C ATOM 147 CD LYS A 10 -5.387 13.875 0.347 1.00 0.00 C ATOM 148 CE LYS A 10 -6.583 14.797 0.541 1.00 0.00 C ATOM 149 NZ LYS A 10 -6.944 15.573 -0.664 1.00 0.00 N ATOM 0 H LYS A 10 -6.717 12.037 2.337 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.309 12.404 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.688 11.077 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.419 10.763 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.704 12.438 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.268 13.135 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.106 13.448 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.537 14.461 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.442 14.201 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.367 15.489 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.366 16.480 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.090 15.751 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.630 15.035 -1.231 1.00 0.00 H new ATOM 163 N ILE A 11 -8.617 9.580 1.484 1.00 0.00 N ATOM 164 CA ILE A 11 -9.344 8.365 1.391 1.00 0.00 C ATOM 165 C ILE A 11 -10.750 8.601 1.770 1.00 0.00 C ATOM 166 O ILE A 11 -11.600 8.178 1.090 1.00 0.00 O ATOM 167 CB ILE A 11 -8.706 7.147 2.181 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.519 6.011 1.272 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.570 6.629 3.366 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.822 5.529 0.780 1.00 0.00 C ATOM 0 H ILE A 11 -8.254 9.804 2.411 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.295 8.050 0.349 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.768 7.530 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.893 6.309 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.997 5.205 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.060 5.796 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.719 7.433 4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.537 6.294 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.667 4.686 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.435 5.212 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.329 6.332 0.245 1.00 0.00 H new ATOM 182 N GLU A 12 -11.010 9.374 2.771 1.00 0.00 N ATOM 183 CA GLU A 12 -12.358 9.469 3.222 1.00 0.00 C ATOM 184 C GLU A 12 -13.170 10.306 2.181 1.00 0.00 C ATOM 185 O GLU A 12 -14.334 9.985 1.857 1.00 0.00 O ATOM 186 CB GLU A 12 -12.237 10.024 4.632 1.00 0.00 C ATOM 187 CG GLU A 12 -13.412 9.902 5.578 1.00 0.00 C ATOM 188 CD GLU A 12 -14.642 10.634 5.121 1.00 0.00 C ATOM 189 OE1 GLU A 12 -14.554 11.855 4.872 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.711 9.999 4.979 1.00 0.00 O ATOM 0 H GLU A 12 -10.328 9.935 3.281 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.923 8.539 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.384 9.537 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.993 11.083 4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.655 8.847 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.118 10.281 6.557 1.00 0.00 H new ATOM 197 N GLU A 13 -12.435 11.206 1.507 1.00 0.00 N ATOM 198 CA GLU A 13 -13.000 12.115 0.508 1.00 0.00 C ATOM 199 C GLU A 13 -13.084 11.437 -0.864 1.00 0.00 C ATOM 200 O GLU A 13 -14.015 11.667 -1.633 1.00 0.00 O ATOM 201 CB GLU A 13 -12.129 13.368 0.347 1.00 0.00 C ATOM 202 CG GLU A 13 -10.842 13.142 -0.442 1.00 0.00 C ATOM 203 CD GLU A 13 -10.103 14.396 -0.799 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.553 15.505 -0.450 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.051 14.298 -1.453 1.00 0.00 O ATOM 0 H GLU A 13 -11.431 11.320 1.643 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.995 12.388 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.715 14.142 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.873 13.748 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.182 12.500 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.083 12.604 -1.359 1.00 0.00 H new ATOM 212 N LEU A 14 -12.101 10.610 -1.154 1.00 0.00 N ATOM 213 CA LEU A 14 -11.995 10.076 -2.471 1.00 0.00 C ATOM 214 C LEU A 14 -12.559 8.701 -2.525 1.00 0.00 C ATOM 215 O LEU A 14 -12.824 8.196 -3.604 1.00 0.00 O ATOM 216 CB LEU A 14 -10.555 10.142 -2.953 1.00 0.00 C ATOM 217 CG LEU A 14 -10.305 10.136 -4.451 1.00 0.00 C ATOM 218 CD1 LEU A 14 -11.049 11.288 -5.101 1.00 0.00 C ATOM 219 CD2 LEU A 14 -8.818 10.285 -4.690 1.00 0.00 C ATOM 0 H LEU A 14 -11.381 10.304 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.587 10.683 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.106 11.047 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.019 9.297 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.660 9.201 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.866 11.279 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.118 11.183 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.698 12.231 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.620 10.283 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.473 11.225 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.289 9.455 -4.221 1.00 0.00 H new ATOM 231 N SER A 15 -12.575 8.021 -1.388 1.00 0.00 N ATOM 232 CA SER A 15 -13.341 6.819 -1.292 1.00 0.00 C ATOM 233 C SER A 15 -14.776 7.259 -1.595 1.00 0.00 C ATOM 234 O SER A 15 -15.159 7.244 -2.751 1.00 0.00 O ATOM 235 CB SER A 15 -13.175 6.110 0.088 1.00 0.00 C ATOM 236 OG SER A 15 -13.806 6.798 1.158 1.00 0.00 O ATOM 0 H SER A 15 -12.071 8.286 -0.542 1.00 0.00 H new ATOM 0 HA SER A 15 -13.007 6.055 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.586 5.103 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.113 6.007 0.309 1.00 0.00 H new ATOM 0 HG SER A 15 -13.239 7.543 1.447 1.00 0.00 H new ATOM 242 N ALA A 16 -15.524 7.700 -0.590 1.00 0.00 N ATOM 243 CA ALA A 16 -16.823 8.329 -0.812 1.00 0.00 C ATOM 244 C ALA A 16 -17.706 7.632 -1.879 1.00 0.00 C ATOM 245 O ALA A 16 -17.841 6.429 -1.908 1.00 0.00 O ATOM 246 CB ALA A 16 -16.530 9.762 -1.207 1.00 0.00 C ATOM 0 H ALA A 16 -15.253 7.634 0.391 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.412 8.254 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.467 10.288 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.985 10.257 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.927 9.773 -2.115 1.00 0.00 H new ATOM 252 N GLU A 17 -18.248 8.435 -2.775 1.00 0.00 N ATOM 253 CA GLU A 17 -19.072 8.040 -3.926 1.00 0.00 C ATOM 254 C GLU A 17 -18.407 6.980 -4.784 1.00 0.00 C ATOM 255 O GLU A 17 -19.071 6.217 -5.488 1.00 0.00 O ATOM 256 CB GLU A 17 -19.284 9.260 -4.789 1.00 0.00 C ATOM 257 CG GLU A 17 -20.090 10.355 -4.125 1.00 0.00 C ATOM 258 CD GLU A 17 -21.451 9.880 -3.696 1.00 0.00 C ATOM 259 OE1 GLU A 17 -22.341 9.742 -4.564 1.00 0.00 O ATOM 260 OE2 GLU A 17 -21.652 9.659 -2.481 1.00 0.00 O ATOM 0 H GLU A 17 -18.123 9.446 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.005 7.629 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.312 9.662 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.788 8.959 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.547 10.727 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.200 11.192 -4.815 1.00 0.00 H new ATOM 267 N ILE A 18 -17.114 6.928 -4.710 1.00 0.00 N ATOM 268 CA ILE A 18 -16.355 5.955 -5.403 1.00 0.00 C ATOM 269 C ILE A 18 -15.899 4.840 -4.499 1.00 0.00 C ATOM 270 O ILE A 18 -16.666 3.890 -4.312 1.00 0.00 O ATOM 271 CB ILE A 18 -15.319 6.514 -6.434 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.283 5.460 -6.824 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.679 7.810 -5.970 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.274 5.896 -7.866 1.00 0.00 C ATOM 0 H ILE A 18 -16.554 7.575 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.042 5.467 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.876 6.760 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.745 5.155 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.807 4.580 -7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.969 8.155 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.451 8.566 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.157 7.641 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.585 5.076 -8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.794 6.171 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.715 6.755 -7.494 1.00 0.00 H new ATOM 286 N GLY A 19 -14.694 4.825 -3.941 1.00 0.00 N ATOM 287 CA GLY A 19 -14.146 3.808 -3.112 1.00 0.00 C ATOM 288 C GLY A 19 -14.913 3.337 -1.907 1.00 0.00 C ATOM 289 O GLY A 19 -14.415 2.464 -1.252 1.00 0.00 O ATOM 0 H GLY A 19 -14.039 5.594 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.962 2.938 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.175 4.160 -2.763 1.00 0.00 H new ATOM 293 N SER A 20 -16.074 3.854 -1.574 1.00 0.00 N ATOM 294 CA SER A 20 -16.828 3.238 -0.490 1.00 0.00 C ATOM 295 C SER A 20 -17.252 1.822 -0.941 1.00 0.00 C ATOM 296 O SER A 20 -17.360 0.884 -0.152 1.00 0.00 O ATOM 297 CB SER A 20 -18.020 4.117 -0.170 1.00 0.00 C ATOM 298 OG SER A 20 -18.924 4.180 -1.273 1.00 0.00 O ATOM 0 H SER A 20 -16.509 4.666 -2.013 1.00 0.00 H new ATOM 0 HA SER A 20 -16.230 3.143 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 20 -18.538 3.728 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.678 5.121 0.082 1.00 0.00 H new ATOM 0 HG SER A 20 -18.703 4.953 -1.833 1.00 0.00 H new ATOM 304 N ASP A 21 -17.394 1.702 -2.256 1.00 0.00 N ATOM 305 CA ASP A 21 -17.668 0.415 -2.881 1.00 0.00 C ATOM 306 C ASP A 21 -16.463 -0.111 -3.630 1.00 0.00 C ATOM 307 O ASP A 21 -16.293 -1.323 -3.764 1.00 0.00 O ATOM 308 CB ASP A 21 -18.824 0.541 -3.868 1.00 0.00 C ATOM 309 CG ASP A 21 -19.220 -0.786 -4.501 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.980 -1.556 -3.869 1.00 0.00 O ATOM 311 OD2 ASP A 21 -18.790 -1.080 -5.647 1.00 0.00 O ATOM 0 H ASP A 21 -17.324 2.482 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.922 -0.279 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.688 0.963 -3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.547 1.243 -4.655 1.00 0.00 H new ATOM 316 N ASN A 22 -15.561 0.773 -4.035 1.00 0.00 N ATOM 317 CA ASN A 22 -14.515 0.333 -4.964 1.00 0.00 C ATOM 318 C ASN A 22 -13.181 0.031 -4.260 1.00 0.00 C ATOM 319 O ASN A 22 -12.470 -0.881 -4.639 1.00 0.00 O ATOM 320 CB ASN A 22 -14.344 1.347 -6.115 1.00 0.00 C ATOM 321 CG ASN A 22 -13.406 0.878 -7.222 1.00 0.00 C ATOM 322 OD1 ASN A 22 -13.283 -0.312 -7.493 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.765 1.812 -7.893 1.00 0.00 N ATOM 0 H ASN A 22 -15.524 1.753 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.844 -0.613 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.322 1.558 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.967 2.284 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.146 1.554 -8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.887 2.794 -7.644 1.00 0.00 H new ATOM 330 N VAL A 23 -12.816 0.783 -3.238 1.00 0.00 N ATOM 331 CA VAL A 23 -11.563 0.468 -2.569 1.00 0.00 C ATOM 332 C VAL A 23 -11.596 -0.812 -1.707 1.00 0.00 C ATOM 333 O VAL A 23 -10.630 -1.563 -1.765 1.00 0.00 O ATOM 334 CB VAL A 23 -10.831 1.658 -1.890 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.496 2.133 -0.610 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.354 1.353 -1.666 1.00 0.00 C ATOM 0 H VAL A 23 -13.337 1.577 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.916 0.227 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.907 2.488 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.929 2.965 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.513 2.459 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.524 1.316 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.874 2.208 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.257 0.478 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.874 1.155 -2.624 1.00 0.00 H new ATOM 346 N PRO A 24 -12.687 -1.134 -0.924 1.00 0.00 N ATOM 347 CA PRO A 24 -12.747 -2.395 -0.182 1.00 0.00 C ATOM 348 C PRO A 24 -12.613 -3.570 -1.133 1.00 0.00 C ATOM 349 O PRO A 24 -11.998 -4.580 -0.786 1.00 0.00 O ATOM 350 CB PRO A 24 -14.141 -2.401 0.467 1.00 0.00 C ATOM 351 CG PRO A 24 -14.906 -1.361 -0.268 1.00 0.00 C ATOM 352 CD PRO A 24 -13.895 -0.336 -0.665 1.00 0.00 C ATOM 0 HA PRO A 24 -11.945 -2.481 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.615 -3.378 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.083 -2.172 1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.403 -1.782 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.682 -0.925 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.209 0.217 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.732 0.395 0.126 1.00 0.00 H new ATOM 360 N VAL A 25 -13.230 -3.431 -2.317 1.00 0.00 N ATOM 361 CA VAL A 25 -13.033 -4.486 -3.285 1.00 0.00 C ATOM 362 C VAL A 25 -11.587 -4.612 -3.720 1.00 0.00 C ATOM 363 O VAL A 25 -11.012 -5.674 -3.556 1.00 0.00 O ATOM 364 CB VAL A 25 -13.991 -4.568 -4.504 1.00 0.00 C ATOM 365 CG1 VAL A 25 -15.401 -4.922 -4.082 1.00 0.00 C ATOM 366 CG2 VAL A 25 -13.982 -3.319 -5.347 1.00 0.00 C ATOM 0 H VAL A 25 -13.825 -2.653 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.327 -5.355 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.608 -5.373 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.043 -4.970 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.399 -5.890 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.778 -4.161 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.672 -3.439 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.292 -2.468 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.976 -3.145 -5.729 1.00 0.00 H new ATOM 376 N LEU A 26 -10.962 -3.518 -4.161 1.00 0.00 N ATOM 377 CA LEU A 26 -9.639 -3.440 -4.757 1.00 0.00 C ATOM 378 C LEU A 26 -8.603 -3.950 -3.768 1.00 0.00 C ATOM 379 O LEU A 26 -7.835 -4.861 -4.058 1.00 0.00 O ATOM 380 CB LEU A 26 -9.417 -1.924 -5.055 1.00 0.00 C ATOM 381 CG LEU A 26 -8.731 -1.478 -6.345 1.00 0.00 C ATOM 382 CD1 LEU A 26 -9.260 -2.283 -7.523 1.00 0.00 C ATOM 383 CD2 LEU A 26 -9.071 -0.010 -6.580 1.00 0.00 C ATOM 0 H LEU A 26 -11.405 -2.601 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.549 -4.044 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.396 -1.445 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.840 -1.515 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.655 -1.627 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.765 -1.958 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.060 -3.342 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.335 -2.127 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.592 0.332 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.151 0.103 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.713 0.585 -5.740 1.00 0.00 H new ATOM 395 N LEU A 27 -8.558 -3.226 -2.676 1.00 0.00 N ATOM 396 CA LEU A 27 -7.647 -3.545 -1.608 1.00 0.00 C ATOM 397 C LEU A 27 -7.724 -5.055 -1.267 1.00 0.00 C ATOM 398 O LEU A 27 -6.729 -5.725 -1.290 1.00 0.00 O ATOM 399 CB LEU A 27 -7.877 -2.592 -0.406 1.00 0.00 C ATOM 400 CG LEU A 27 -8.960 -2.897 0.661 1.00 0.00 C ATOM 401 CD1 LEU A 27 -8.479 -3.905 1.696 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.398 -1.613 1.352 1.00 0.00 C ATOM 0 H LEU A 27 -9.145 -2.409 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.617 -3.374 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.926 -2.507 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.103 -1.608 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.809 -3.339 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.271 -4.087 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.220 -4.840 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.601 -3.510 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.158 -1.843 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.539 -1.151 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.810 -0.925 0.614 1.00 0.00 H new ATOM 414 N ASP A 28 -8.901 -5.619 -1.088 1.00 0.00 N ATOM 415 CA ASP A 28 -8.972 -7.059 -0.770 1.00 0.00 C ATOM 416 C ASP A 28 -8.571 -7.959 -1.947 1.00 0.00 C ATOM 417 O ASP A 28 -8.144 -9.089 -1.731 1.00 0.00 O ATOM 418 CB ASP A 28 -10.325 -7.482 -0.231 1.00 0.00 C ATOM 419 CG ASP A 28 -10.421 -7.528 1.286 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.309 -6.481 1.950 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.627 -8.632 1.842 1.00 0.00 O ATOM 0 H ASP A 28 -9.798 -5.138 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.236 -7.198 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.082 -6.794 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.566 -8.469 -0.626 1.00 0.00 H new ATOM 426 N ILE A 29 -8.688 -7.450 -3.177 1.00 0.00 N ATOM 427 CA ILE A 29 -8.289 -8.201 -4.382 1.00 0.00 C ATOM 428 C ILE A 29 -6.792 -8.329 -4.329 1.00 0.00 C ATOM 429 O ILE A 29 -6.216 -9.404 -4.201 1.00 0.00 O ATOM 430 CB ILE A 29 -8.535 -7.402 -5.709 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.958 -6.966 -5.931 1.00 0.00 C ATOM 432 CG2 ILE A 29 -8.054 -8.150 -6.937 1.00 0.00 C ATOM 433 CD1 ILE A 29 -10.079 -6.064 -7.149 1.00 0.00 C ATOM 0 H ILE A 29 -9.056 -6.519 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.856 -9.132 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.939 -6.500 -5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.592 -7.843 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.320 -6.439 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.249 -7.552 -7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.984 -8.337 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.583 -9.100 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.120 -5.768 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.464 -5.176 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.740 -6.601 -8.035 1.00 0.00 H new ATOM 445 N PHE A 30 -6.196 -7.166 -4.371 1.00 0.00 N ATOM 446 CA PHE A 30 -4.803 -6.977 -4.516 1.00 0.00 C ATOM 447 C PHE A 30 -4.049 -7.464 -3.324 1.00 0.00 C ATOM 448 O PHE A 30 -2.932 -7.875 -3.415 1.00 0.00 O ATOM 449 CB PHE A 30 -4.562 -5.515 -4.751 1.00 0.00 C ATOM 450 CG PHE A 30 -5.055 -4.970 -6.069 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.215 -5.781 -7.186 1.00 0.00 C ATOM 452 CD2 PHE A 30 -5.343 -3.625 -6.191 1.00 0.00 C ATOM 453 CE1 PHE A 30 -5.655 -5.251 -8.381 1.00 0.00 C ATOM 454 CE2 PHE A 30 -5.774 -3.091 -7.386 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.931 -3.904 -8.481 1.00 0.00 C ATOM 0 H PHE A 30 -6.710 -6.288 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.440 -7.561 -5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.038 -4.954 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.491 -5.327 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.993 -6.836 -7.118 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.228 -2.979 -5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.784 -5.893 -9.240 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.988 -2.035 -7.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.270 -3.489 -9.419 1.00 0.00 H new ATOM 465 N LEU A 31 -4.677 -7.471 -2.221 1.00 0.00 N ATOM 466 CA LEU A 31 -4.042 -7.944 -1.078 1.00 0.00 C ATOM 467 C LEU A 31 -4.228 -9.430 -1.001 1.00 0.00 C ATOM 468 O LEU A 31 -3.261 -10.131 -0.997 1.00 0.00 O ATOM 469 CB LEU A 31 -4.508 -7.189 0.164 1.00 0.00 C ATOM 470 CG LEU A 31 -4.061 -5.723 0.361 1.00 0.00 C ATOM 471 CD1 LEU A 31 -3.993 -4.869 -0.904 1.00 0.00 C ATOM 472 CD2 LEU A 31 -4.932 -5.068 1.417 1.00 0.00 C ATOM 0 H LEU A 31 -5.637 -7.151 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.970 -7.755 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.598 -7.204 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.178 -7.754 1.036 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.023 -5.776 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.669 -3.861 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.283 -5.311 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.979 -4.825 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.618 -4.034 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.973 -5.091 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.831 -5.609 2.358 1.00 0.00 H new ATOM 484 N GLY A 32 -5.465 -9.908 -1.097 1.00 0.00 N ATOM 485 CA GLY A 32 -5.763 -11.321 -0.922 1.00 0.00 C ATOM 486 C GLY A 32 -5.195 -12.236 -2.008 1.00 0.00 C ATOM 487 O GLY A 32 -4.756 -13.352 -1.719 1.00 0.00 O ATOM 0 H GLY A 32 -6.281 -9.330 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.374 -11.643 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.845 -11.448 -0.889 1.00 0.00 H new ATOM 491 N GLU A 33 -5.193 -11.790 -3.252 1.00 0.00 N ATOM 492 CA GLU A 33 -4.693 -12.629 -4.340 1.00 0.00 C ATOM 493 C GLU A 33 -3.187 -12.502 -4.460 1.00 0.00 C ATOM 494 O GLU A 33 -2.473 -13.461 -4.776 1.00 0.00 O ATOM 495 CB GLU A 33 -5.378 -12.298 -5.654 1.00 0.00 C ATOM 496 CG GLU A 33 -6.884 -12.281 -5.534 1.00 0.00 C ATOM 497 CD GLU A 33 -7.558 -12.349 -6.873 1.00 0.00 C ATOM 498 OE1 GLU A 33 -7.774 -13.460 -7.382 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.879 -11.295 -7.444 1.00 0.00 O ATOM 0 H GLU A 33 -5.525 -10.868 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.930 -13.666 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.034 -11.325 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.085 -13.030 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.208 -13.123 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.196 -11.373 -5.017 1.00 0.00 H new ATOM 506 N MET A 34 -2.708 -11.306 -4.214 1.00 0.00 N ATOM 507 CA MET A 34 -1.264 -11.194 -4.161 1.00 0.00 C ATOM 508 C MET A 34 -0.761 -12.036 -3.017 1.00 0.00 C ATOM 509 O MET A 34 0.183 -12.793 -3.184 1.00 0.00 O ATOM 510 CB MET A 34 -0.829 -9.807 -3.951 1.00 0.00 C ATOM 511 CG MET A 34 -0.757 -8.910 -5.218 1.00 0.00 C ATOM 512 SD MET A 34 -2.310 -8.665 -6.157 1.00 0.00 S ATOM 513 CE MET A 34 -2.503 -10.152 -7.147 1.00 0.00 C ATOM 0 H MET A 34 -3.245 -10.453 -4.057 1.00 0.00 H new ATOM 0 HA MET A 34 -0.860 -11.534 -5.115 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.508 -9.339 -3.239 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.157 -9.824 -3.487 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.385 -7.930 -4.918 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.017 -9.338 -5.894 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.784 -9.878 -8.164 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.562 -10.701 -7.166 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.280 -10.780 -6.712 1.00 0.00 H new ATOM 523 N ASP A 35 -1.500 -11.983 -1.903 1.00 0.00 N ATOM 524 CA ASP A 35 -1.310 -12.793 -0.690 1.00 0.00 C ATOM 525 C ASP A 35 -1.264 -14.268 -1.039 1.00 0.00 C ATOM 526 O ASP A 35 -0.602 -15.064 -0.362 1.00 0.00 O ATOM 527 CB ASP A 35 -2.479 -12.513 0.275 1.00 0.00 C ATOM 528 CG ASP A 35 -2.604 -13.475 1.441 1.00 0.00 C ATOM 529 OD1 ASP A 35 -3.320 -14.498 1.309 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.050 -13.205 2.520 1.00 0.00 O ATOM 0 H ASP A 35 -2.288 -11.341 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.364 -12.528 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.368 -11.503 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.409 -12.534 -0.293 1.00 0.00 H new ATOM 535 N SER A 36 -1.928 -14.618 -2.135 1.00 0.00 N ATOM 536 CA SER A 36 -1.933 -15.983 -2.577 1.00 0.00 C ATOM 537 C SER A 36 -0.550 -16.431 -2.938 1.00 0.00 C ATOM 538 O SER A 36 -0.146 -17.545 -2.672 1.00 0.00 O ATOM 539 CB SER A 36 -2.841 -16.217 -3.748 1.00 0.00 C ATOM 540 OG SER A 36 -4.159 -15.754 -3.453 1.00 0.00 O ATOM 0 H SER A 36 -2.461 -13.974 -2.720 1.00 0.00 H new ATOM 0 HA SER A 36 -2.311 -16.567 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.454 -15.699 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.867 -17.279 -3.990 1.00 0.00 H new ATOM 0 HG SER A 36 -4.741 -15.911 -4.225 1.00 0.00 H new ATOM 546 N TYR A 37 0.179 -15.534 -3.526 1.00 0.00 N ATOM 547 CA TYR A 37 1.528 -15.813 -3.934 1.00 0.00 C ATOM 548 C TYR A 37 2.463 -15.841 -2.759 1.00 0.00 C ATOM 549 O TYR A 37 3.560 -16.363 -2.823 1.00 0.00 O ATOM 550 CB TYR A 37 1.938 -14.838 -5.004 1.00 0.00 C ATOM 551 CG TYR A 37 0.992 -14.989 -6.148 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.958 -16.168 -6.845 1.00 0.00 C ATOM 553 CD2 TYR A 37 0.104 -14.004 -6.479 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.090 -16.394 -7.847 1.00 0.00 C ATOM 555 CE2 TYR A 37 -0.799 -14.196 -7.507 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.806 -15.402 -8.195 1.00 0.00 C ATOM 557 OH TYR A 37 -1.712 -15.611 -9.215 1.00 0.00 O ATOM 0 H TYR A 37 -0.140 -14.589 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 37 1.581 -16.813 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.913 -13.818 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.961 -15.033 -5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.657 -16.947 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.108 -13.071 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.093 -17.338 -8.372 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.494 -13.414 -7.773 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.268 -14.812 -9.328 1.00 0.00 H new ATOM 567 N ILE A 38 2.027 -15.271 -1.700 1.00 0.00 N ATOM 568 CA ILE A 38 2.751 -15.356 -0.467 1.00 0.00 C ATOM 569 C ILE A 38 2.512 -16.724 0.144 1.00 0.00 C ATOM 570 O ILE A 38 3.442 -17.383 0.590 1.00 0.00 O ATOM 571 CB ILE A 38 2.426 -14.191 0.509 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.017 -12.888 -0.033 1.00 0.00 C ATOM 573 CG2 ILE A 38 2.955 -14.458 1.910 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.349 -12.331 -1.281 1.00 0.00 C ATOM 0 H ILE A 38 1.163 -14.732 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 38 3.815 -15.243 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 38 1.342 -14.107 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.966 -12.133 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.073 -13.052 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.706 -13.619 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.501 -15.368 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.038 -14.579 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.846 -11.408 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.422 -13.059 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.299 -12.126 -1.071 1.00 0.00 H new ATOM 586 N GLY A 39 1.284 -17.178 0.122 1.00 0.00 N ATOM 587 CA GLY A 39 0.996 -18.507 0.582 1.00 0.00 C ATOM 588 C GLY A 39 1.659 -19.555 -0.304 1.00 0.00 C ATOM 589 O GLY A 39 2.573 -20.255 0.111 1.00 0.00 O ATOM 0 H GLY A 39 0.476 -16.650 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.344 -18.622 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.082 -18.665 0.592 1.00 0.00 H new ATOM 593 N THR A 40 1.278 -19.568 -1.554 1.00 0.00 N ATOM 594 CA THR A 40 1.680 -20.558 -2.489 1.00 0.00 C ATOM 595 C THR A 40 3.115 -20.345 -2.927 1.00 0.00 C ATOM 596 O THR A 40 3.976 -21.159 -2.620 1.00 0.00 O ATOM 597 CB THR A 40 0.729 -20.509 -3.697 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.616 -20.605 -3.214 1.00 0.00 O ATOM 599 CG2 THR A 40 0.996 -21.642 -4.672 1.00 0.00 C ATOM 0 H THR A 40 0.659 -18.862 -1.952 1.00 0.00 H new ATOM 0 HA THR A 40 1.629 -21.540 -2.019 1.00 0.00 H new ATOM 0 HB THR A 40 0.890 -19.572 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.918 -19.724 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.303 -21.571 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.020 -21.572 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.857 -22.598 -4.166 1.00 0.00 H new ATOM 607 N LEU A 41 3.403 -19.227 -3.587 1.00 0.00 N ATOM 608 CA LEU A 41 4.710 -19.035 -4.170 1.00 0.00 C ATOM 609 C LEU A 41 5.811 -18.811 -3.133 1.00 0.00 C ATOM 610 O LEU A 41 6.943 -19.029 -3.427 1.00 0.00 O ATOM 611 CB LEU A 41 4.785 -17.850 -5.081 1.00 0.00 C ATOM 612 CG LEU A 41 3.789 -17.631 -6.133 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.362 -16.680 -7.171 1.00 0.00 C ATOM 614 CD2 LEU A 41 3.208 -18.906 -6.716 1.00 0.00 C ATOM 0 H LEU A 41 2.752 -18.454 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 41 4.866 -19.965 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.778 -16.963 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.759 -17.886 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 41 2.916 -17.160 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.626 -16.513 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.609 -15.730 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.263 -17.114 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.480 -18.655 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.008 -19.504 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.718 -19.477 -5.927 1.00 0.00 H new ATOM 626 N THR A 42 5.493 -18.391 -1.927 1.00 0.00 N ATOM 627 CA THR A 42 6.578 -18.166 -0.964 1.00 0.00 C ATOM 628 C THR A 42 6.999 -19.475 -0.325 1.00 0.00 C ATOM 629 O THR A 42 8.163 -19.707 0.022 1.00 0.00 O ATOM 630 CB THR A 42 6.153 -17.088 0.037 1.00 0.00 C ATOM 631 OG1 THR A 42 5.975 -15.841 -0.663 1.00 0.00 O ATOM 632 CG2 THR A 42 7.109 -16.918 1.188 1.00 0.00 C ATOM 0 H THR A 42 4.549 -18.203 -1.591 1.00 0.00 H new ATOM 0 HA THR A 42 7.468 -17.790 -1.469 1.00 0.00 H new ATOM 0 HB THR A 42 5.214 -17.414 0.484 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.859 -15.116 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.741 -16.138 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.188 -17.856 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.091 -16.637 0.807 1.00 0.00 H new ATOM 640 N GLU A 43 6.031 -20.322 -0.248 1.00 0.00 N ATOM 641 CA GLU A 43 6.236 -21.714 0.150 1.00 0.00 C ATOM 642 C GLU A 43 6.842 -22.537 -0.991 1.00 0.00 C ATOM 643 O GLU A 43 7.223 -23.698 -0.816 1.00 0.00 O ATOM 644 CB GLU A 43 4.940 -22.343 0.631 1.00 0.00 C ATOM 645 CG GLU A 43 4.459 -21.739 1.926 1.00 0.00 C ATOM 646 CD GLU A 43 5.428 -21.984 3.048 1.00 0.00 C ATOM 647 OE1 GLU A 43 6.349 -21.169 3.244 1.00 0.00 O ATOM 648 OE2 GLU A 43 5.296 -23.013 3.744 1.00 0.00 O ATOM 0 H GLU A 43 5.060 -20.088 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 43 6.944 -21.715 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.173 -22.219 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.086 -23.415 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.316 -20.666 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.488 -22.161 2.185 1.00 0.00 H new ATOM 655 N LEU A 44 6.908 -21.932 -2.155 1.00 0.00 N ATOM 656 CA LEU A 44 7.419 -22.569 -3.336 1.00 0.00 C ATOM 657 C LEU A 44 8.738 -21.961 -3.839 1.00 0.00 C ATOM 658 O LEU A 44 9.590 -22.673 -4.366 1.00 0.00 O ATOM 659 CB LEU A 44 6.347 -22.475 -4.428 1.00 0.00 C ATOM 660 CG LEU A 44 5.153 -23.417 -4.330 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.256 -23.214 -5.534 1.00 0.00 C ATOM 662 CD2 LEU A 44 5.607 -24.863 -4.233 1.00 0.00 C ATOM 0 H LEU A 44 6.603 -20.970 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 44 7.646 -23.605 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.968 -21.453 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.831 -22.646 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 44 4.594 -23.189 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.400 -23.886 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.906 -22.182 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.816 -23.428 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.736 -25.514 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.185 -25.123 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.227 -24.991 -3.345 1.00 0.00 H new ATOM 674 N GLN A 45 8.939 -20.673 -3.620 1.00 0.00 N ATOM 675 CA GLN A 45 10.022 -19.944 -4.263 1.00 0.00 C ATOM 676 C GLN A 45 10.285 -18.612 -3.594 1.00 0.00 C ATOM 677 O GLN A 45 9.729 -18.287 -2.550 1.00 0.00 O ATOM 678 CB GLN A 45 9.643 -19.708 -5.738 1.00 0.00 C ATOM 679 CG GLN A 45 8.480 -18.732 -5.970 1.00 0.00 C ATOM 680 CD GLN A 45 8.123 -18.627 -7.434 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.661 -17.792 -8.158 1.00 0.00 O ATOM 682 NE2 GLN A 45 7.231 -19.478 -7.891 1.00 0.00 N ATOM 0 H GLN A 45 8.363 -20.106 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 45 10.933 -20.538 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.520 -19.334 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.386 -20.667 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.608 -19.064 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.750 -17.747 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.805 -20.158 -7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.965 -19.459 -8.876 1.00 0.00 H new ATOM 691 N GLY A 46 11.114 -17.835 -4.267 1.00 0.00 N ATOM 692 CA GLY A 46 11.478 -16.494 -3.890 1.00 0.00 C ATOM 693 C GLY A 46 10.484 -15.522 -4.453 1.00 0.00 C ATOM 694 O GLY A 46 10.851 -14.515 -5.035 1.00 0.00 O ATOM 0 H GLY A 46 11.568 -18.141 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.510 -16.408 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.477 -16.261 -4.258 1.00 0.00 H new ATOM 698 N SER A 47 9.240 -15.969 -4.417 1.00 0.00 N ATOM 699 CA SER A 47 8.105 -15.192 -4.710 1.00 0.00 C ATOM 700 C SER A 47 8.314 -13.833 -4.139 1.00 0.00 C ATOM 701 O SER A 47 8.283 -12.902 -4.864 1.00 0.00 O ATOM 702 CB SER A 47 6.942 -15.840 -4.031 1.00 0.00 C ATOM 703 OG SER A 47 5.719 -15.179 -4.310 1.00 0.00 O ATOM 0 H SER A 47 9.011 -16.931 -4.168 1.00 0.00 H new ATOM 0 HA SER A 47 7.931 -15.117 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.871 -16.880 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.111 -15.848 -2.954 1.00 0.00 H new ATOM 0 HG SER A 47 5.817 -14.638 -5.122 1.00 0.00 H new ATOM 709 N GLU A 48 8.268 -13.823 -2.820 1.00 0.00 N ATOM 710 CA GLU A 48 8.568 -12.630 -1.976 1.00 0.00 C ATOM 711 C GLU A 48 9.256 -11.490 -2.802 1.00 0.00 C ATOM 712 O GLU A 48 8.723 -10.389 -2.947 1.00 0.00 O ATOM 713 CB GLU A 48 9.539 -13.132 -0.932 1.00 0.00 C ATOM 714 CG GLU A 48 9.049 -14.349 -0.167 1.00 0.00 C ATOM 715 CD GLU A 48 10.215 -15.110 0.410 1.00 0.00 C ATOM 716 OE1 GLU A 48 10.982 -15.703 -0.367 1.00 0.00 O ATOM 717 OE2 GLU A 48 10.403 -15.117 1.629 1.00 0.00 O ATOM 0 H GLU A 48 8.019 -14.647 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 48 7.653 -12.210 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.484 -13.377 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.743 -12.329 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.378 -14.038 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.476 -14.997 -0.830 1.00 0.00 H new ATOM 724 N GLN A 49 10.413 -11.842 -3.380 1.00 0.00 N ATOM 725 CA GLN A 49 11.199 -10.983 -4.287 1.00 0.00 C ATOM 726 C GLN A 49 10.300 -10.278 -5.354 1.00 0.00 C ATOM 727 O GLN A 49 10.245 -9.051 -5.459 1.00 0.00 O ATOM 728 CB GLN A 49 12.199 -11.898 -5.018 1.00 0.00 C ATOM 729 CG GLN A 49 12.992 -11.225 -6.118 1.00 0.00 C ATOM 730 CD GLN A 49 13.550 -12.217 -7.109 1.00 0.00 C ATOM 731 OE1 GLN A 49 14.661 -12.734 -6.961 1.00 0.00 O ATOM 732 NE2 GLN A 49 12.770 -12.484 -8.135 1.00 0.00 N ATOM 0 H GLN A 49 10.842 -12.755 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 49 11.691 -10.204 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.896 -12.308 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.654 -12.739 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.353 -10.513 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.810 -10.655 -5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.859 -12.032 -8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.076 -13.143 -8.851 1.00 0.00 H new ATOM 741 N LEU A 50 9.605 -11.097 -6.119 1.00 0.00 N ATOM 742 CA LEU A 50 8.753 -10.758 -7.192 1.00 0.00 C ATOM 743 C LEU A 50 7.478 -10.179 -6.658 1.00 0.00 C ATOM 744 O LEU A 50 6.932 -9.262 -7.252 1.00 0.00 O ATOM 745 CB LEU A 50 8.548 -12.061 -7.999 1.00 0.00 C ATOM 746 CG LEU A 50 7.806 -12.018 -9.340 1.00 0.00 C ATOM 747 CD1 LEU A 50 8.252 -13.194 -10.198 1.00 0.00 C ATOM 748 CD2 LEU A 50 6.310 -12.126 -9.125 1.00 0.00 C ATOM 0 H LEU A 50 9.641 -12.106 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 50 9.170 -9.992 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.534 -12.486 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.016 -12.762 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 50 8.034 -11.072 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.727 -13.168 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.326 -13.130 -10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.023 -14.127 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.801 -12.094 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.081 -13.067 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.970 -11.295 -8.507 1.00 0.00 H new ATOM 760 N LEU A 51 7.044 -10.636 -5.494 1.00 0.00 N ATOM 761 CA LEU A 51 5.806 -10.165 -4.978 1.00 0.00 C ATOM 762 C LEU A 51 5.865 -8.720 -4.551 1.00 0.00 C ATOM 763 O LEU A 51 4.917 -8.003 -4.685 1.00 0.00 O ATOM 764 CB LEU A 51 5.110 -11.104 -4.005 1.00 0.00 C ATOM 765 CG LEU A 51 5.808 -11.437 -2.728 1.00 0.00 C ATOM 766 CD1 LEU A 51 5.616 -10.382 -1.641 1.00 0.00 C ATOM 767 CD2 LEU A 51 5.411 -12.821 -2.291 1.00 0.00 C ATOM 0 H LEU A 51 7.531 -11.318 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 51 5.121 -10.179 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.144 -10.667 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.910 -12.039 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 51 6.882 -11.430 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.149 -10.686 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.007 -9.426 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.554 -10.279 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.919 -13.068 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.332 -12.859 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.694 -13.540 -3.060 1.00 0.00 H new ATOM 779 N TYR A 52 7.036 -8.256 -4.297 1.00 0.00 N ATOM 780 CA TYR A 52 7.313 -6.900 -3.938 1.00 0.00 C ATOM 781 C TYR A 52 7.105 -6.031 -5.148 1.00 0.00 C ATOM 782 O TYR A 52 6.333 -5.089 -5.132 1.00 0.00 O ATOM 783 CB TYR A 52 8.763 -6.914 -3.604 1.00 0.00 C ATOM 784 CG TYR A 52 9.450 -5.571 -3.509 1.00 0.00 C ATOM 785 CD1 TYR A 52 9.250 -4.692 -2.447 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.355 -5.213 -4.496 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.947 -3.495 -2.384 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.040 -4.026 -4.446 1.00 0.00 C ATOM 789 CZ TYR A 52 10.837 -3.170 -3.393 1.00 0.00 C ATOM 790 OH TYR A 52 11.523 -1.982 -3.353 1.00 0.00 O ATOM 0 H TYR A 52 7.874 -8.837 -4.334 1.00 0.00 H new ATOM 0 HA TYR A 52 6.686 -6.529 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.888 -7.428 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.280 -7.508 -4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.547 -4.945 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.525 -5.885 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.797 -2.821 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.735 -3.766 -5.231 1.00 0.00 H new ATOM 0 HH TYR A 52 12.106 -1.914 -4.138 1.00 0.00 H new ATOM 800 N LEU A 53 7.693 -6.509 -6.223 1.00 0.00 N ATOM 801 CA LEU A 53 7.653 -5.681 -7.407 1.00 0.00 C ATOM 802 C LEU A 53 6.262 -5.596 -7.963 1.00 0.00 C ATOM 803 O LEU A 53 5.822 -4.543 -8.414 1.00 0.00 O ATOM 804 CB LEU A 53 8.768 -6.006 -8.432 1.00 0.00 C ATOM 805 CG LEU A 53 8.857 -7.433 -9.001 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.808 -7.697 -10.073 1.00 0.00 C ATOM 807 CD2 LEU A 53 10.256 -7.717 -9.523 1.00 0.00 C ATOM 0 H LEU A 53 8.174 -7.405 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 53 7.905 -4.663 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.653 -5.322 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.725 -5.777 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 53 8.647 -8.119 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.913 -8.717 -10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.813 -7.566 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.946 -6.997 -10.897 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.297 -8.731 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.501 -7.007 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.975 -7.617 -8.710 1.00 0.00 H new ATOM 819 N LYS A 54 5.541 -6.677 -7.853 1.00 0.00 N ATOM 820 CA LYS A 54 4.197 -6.648 -8.327 1.00 0.00 C ATOM 821 C LYS A 54 3.143 -6.054 -7.413 1.00 0.00 C ATOM 822 O LYS A 54 2.264 -5.398 -7.876 1.00 0.00 O ATOM 823 CB LYS A 54 3.743 -7.858 -9.151 1.00 0.00 C ATOM 824 CG LYS A 54 4.441 -9.171 -8.792 1.00 0.00 C ATOM 825 CD LYS A 54 3.668 -10.080 -7.832 1.00 0.00 C ATOM 826 CE LYS A 54 3.178 -9.350 -6.603 1.00 0.00 C ATOM 827 NZ LYS A 54 2.455 -10.213 -5.637 1.00 0.00 N ATOM 0 H LYS A 54 5.854 -7.561 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 54 4.288 -5.861 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.668 -7.986 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.915 -7.647 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.636 -9.723 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.409 -8.939 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.816 -10.513 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.309 -10.907 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.031 -8.894 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.520 -8.539 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.299 -9.689 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.538 -10.492 -6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.020 -11.064 -5.441 1.00 0.00 H new ATOM 841 N GLU A 55 3.265 -6.205 -6.135 1.00 0.00 N ATOM 842 CA GLU A 55 2.162 -5.627 -5.378 1.00 0.00 C ATOM 843 C GLU A 55 2.284 -4.145 -5.200 1.00 0.00 C ATOM 844 O GLU A 55 1.323 -3.422 -5.314 1.00 0.00 O ATOM 845 CB GLU A 55 1.807 -6.370 -4.109 1.00 0.00 C ATOM 846 CG GLU A 55 2.931 -6.583 -3.144 1.00 0.00 C ATOM 847 CD GLU A 55 2.784 -7.973 -2.544 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.540 -8.942 -3.345 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.914 -8.126 -1.332 1.00 0.00 O ATOM 0 H GLU A 55 4.017 -6.665 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 55 1.288 -5.774 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.014 -5.823 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.398 -7.343 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.891 -6.487 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.908 -5.826 -2.360 1.00 0.00 H new ATOM 856 N ILE A 56 3.459 -3.698 -4.956 1.00 0.00 N ATOM 857 CA ILE A 56 3.609 -2.280 -4.740 1.00 0.00 C ATOM 858 C ILE A 56 3.475 -1.469 -6.048 1.00 0.00 C ATOM 859 O ILE A 56 3.036 -0.325 -6.018 1.00 0.00 O ATOM 860 CB ILE A 56 4.897 -1.940 -3.988 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.086 -2.178 -4.906 1.00 0.00 C ATOM 862 CG2 ILE A 56 5.002 -2.789 -2.710 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.390 -2.238 -4.189 1.00 0.00 C ATOM 0 H ILE A 56 4.311 -4.255 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 56 2.781 -1.980 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 56 4.888 -0.891 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.935 -3.112 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.126 -1.382 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.922 -2.539 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.147 -2.584 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.011 -3.846 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.192 -2.410 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.563 -1.295 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.370 -3.053 -3.465 1.00 0.00 H new ATOM 875 N SER A 57 3.797 -2.080 -7.187 1.00 0.00 N ATOM 876 CA SER A 57 3.693 -1.373 -8.465 1.00 0.00 C ATOM 877 C SER A 57 2.353 -1.665 -9.146 1.00 0.00 C ATOM 878 O SER A 57 1.848 -0.873 -9.945 1.00 0.00 O ATOM 879 CB SER A 57 4.863 -1.741 -9.380 1.00 0.00 C ATOM 880 OG SER A 57 6.102 -1.440 -8.750 1.00 0.00 O ATOM 0 H SER A 57 4.126 -3.043 -7.254 1.00 0.00 H new ATOM 0 HA SER A 57 3.739 -0.302 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.821 -2.802 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.784 -1.194 -10.319 1.00 0.00 H new ATOM 0 HG SER A 57 6.492 -2.262 -8.386 1.00 0.00 H new ATOM 886 N HIS A 58 1.844 -2.833 -8.890 1.00 0.00 N ATOM 887 CA HIS A 58 0.553 -3.190 -9.380 1.00 0.00 C ATOM 888 C HIS A 58 -0.563 -2.781 -8.424 1.00 0.00 C ATOM 889 O HIS A 58 -1.318 -1.885 -8.764 1.00 0.00 O ATOM 890 CB HIS A 58 0.490 -4.640 -9.923 1.00 0.00 C ATOM 891 CG HIS A 58 -0.802 -5.367 -9.734 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.974 -6.179 -8.644 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.930 -5.374 -10.484 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.189 -6.654 -8.743 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.808 -6.202 -9.837 1.00 0.00 N ATOM 0 H HIS A 58 2.309 -3.556 -8.341 1.00 0.00 H new ATOM 0 HA HIS A 58 0.362 -2.591 -10.270 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.715 -4.615 -10.989 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.280 -5.218 -9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.102 -4.836 -11.405 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.636 -7.329 -8.028 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.756 -6.431 -10.135 1.00 0.00 H new ATOM 903 N ALA A 59 -0.686 -3.317 -7.207 1.00 0.00 N ATOM 904 CA ALA A 59 -1.773 -3.129 -6.265 1.00 0.00 C ATOM 905 C ALA A 59 -1.677 -1.781 -5.608 1.00 0.00 C ATOM 906 O ALA A 59 -2.591 -0.971 -5.730 1.00 0.00 O ATOM 907 CB ALA A 59 -1.612 -4.183 -5.190 1.00 0.00 C ATOM 0 H ALA A 59 0.031 -3.940 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.729 -3.203 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.411 -4.079 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.660 -5.174 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.648 -4.056 -4.697 1.00 0.00 H new ATOM 913 N LEU A 60 -0.577 -1.541 -4.885 1.00 0.00 N ATOM 914 CA LEU A 60 -0.404 -0.266 -4.199 1.00 0.00 C ATOM 915 C LEU A 60 -0.371 0.866 -5.159 1.00 0.00 C ATOM 916 O LEU A 60 -0.958 1.880 -4.928 1.00 0.00 O ATOM 917 CB LEU A 60 0.819 -0.178 -3.292 1.00 0.00 C ATOM 918 CG LEU A 60 0.751 -0.892 -1.945 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.687 -2.400 -2.101 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.925 -0.462 -1.095 1.00 0.00 C ATOM 0 H LEU A 60 0.190 -2.202 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.278 -0.199 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.673 -0.575 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.023 0.876 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.173 -0.605 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.640 -2.866 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.201 -2.669 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.576 -2.750 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.881 -0.969 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.855 -0.723 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.886 0.616 -0.940 1.00 0.00 H new ATOM 932 N LYS A 61 0.264 0.688 -6.262 1.00 0.00 N ATOM 933 CA LYS A 61 0.341 1.763 -7.201 1.00 0.00 C ATOM 934 C LYS A 61 -1.031 2.030 -7.835 1.00 0.00 C ATOM 935 O LYS A 61 -1.312 3.135 -8.256 1.00 0.00 O ATOM 936 CB LYS A 61 1.433 1.476 -8.198 1.00 0.00 C ATOM 937 CG LYS A 61 1.851 2.630 -9.078 1.00 0.00 C ATOM 938 CD LYS A 61 2.304 3.847 -8.283 1.00 0.00 C ATOM 939 CE LYS A 61 3.366 3.515 -7.240 1.00 0.00 C ATOM 940 NZ LYS A 61 3.981 4.743 -6.671 1.00 0.00 N ATOM 0 H LYS A 61 0.733 -0.174 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 61 0.610 2.691 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.310 1.124 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.106 0.657 -8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.661 2.307 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.016 2.912 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.698 4.596 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.441 4.292 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.918 2.928 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.141 2.897 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.294 4.555 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.799 5.022 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.281 5.512 -6.667 1.00 0.00 H new ATOM 954 N SER A 62 -1.932 1.067 -7.750 1.00 0.00 N ATOM 955 CA SER A 62 -3.270 1.234 -8.249 1.00 0.00 C ATOM 956 C SER A 62 -4.165 1.843 -7.188 1.00 0.00 C ATOM 957 O SER A 62 -4.671 2.973 -7.324 1.00 0.00 O ATOM 958 CB SER A 62 -3.829 -0.090 -8.773 1.00 0.00 C ATOM 959 OG SER A 62 -3.287 -0.421 -10.044 1.00 0.00 O ATOM 0 H SER A 62 -1.750 0.154 -7.334 1.00 0.00 H new ATOM 0 HA SER A 62 -3.240 1.926 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.605 -0.886 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.915 -0.024 -8.846 1.00 0.00 H new ATOM 0 HG SER A 62 -2.497 -0.989 -9.925 1.00 0.00 H new ATOM 965 N SER A 63 -4.309 1.127 -6.113 1.00 0.00 N ATOM 966 CA SER A 63 -5.104 1.452 -5.008 1.00 0.00 C ATOM 967 C SER A 63 -4.586 2.709 -4.379 1.00 0.00 C ATOM 968 O SER A 63 -5.321 3.626 -4.210 1.00 0.00 O ATOM 969 CB SER A 63 -4.988 0.300 -4.023 1.00 0.00 C ATOM 970 OG SER A 63 -5.327 -0.920 -4.642 1.00 0.00 O ATOM 0 H SER A 63 -3.829 0.235 -5.995 1.00 0.00 H new ATOM 0 HA SER A 63 -6.142 1.610 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.970 0.247 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.644 0.476 -3.171 1.00 0.00 H new ATOM 0 HG SER A 63 -4.518 -1.339 -5.003 1.00 0.00 H new ATOM 976 N ALA A 64 -3.299 2.761 -4.112 1.00 0.00 N ATOM 977 CA ALA A 64 -2.765 3.888 -3.355 1.00 0.00 C ATOM 978 C ALA A 64 -2.711 5.137 -4.199 1.00 0.00 C ATOM 979 O ALA A 64 -2.869 6.188 -3.703 1.00 0.00 O ATOM 980 CB ALA A 64 -1.439 3.608 -2.653 1.00 0.00 C ATOM 0 H ALA A 64 -2.614 2.061 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.472 4.056 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.117 4.500 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.567 2.786 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.685 3.338 -3.393 1.00 0.00 H new ATOM 986 N ALA A 65 -2.600 5.024 -5.498 1.00 0.00 N ATOM 987 CA ALA A 65 -2.650 6.210 -6.357 1.00 0.00 C ATOM 988 C ALA A 65 -4.049 6.806 -6.279 1.00 0.00 C ATOM 989 O ALA A 65 -4.272 7.975 -6.608 1.00 0.00 O ATOM 990 CB ALA A 65 -2.334 5.852 -7.794 1.00 0.00 C ATOM 0 H ALA A 65 -2.475 4.141 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.907 6.930 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.378 6.750 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.334 5.422 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.062 5.127 -8.157 1.00 0.00 H new ATOM 996 N SER A 66 -4.987 5.979 -5.849 1.00 0.00 N ATOM 997 CA SER A 66 -6.343 6.386 -5.644 1.00 0.00 C ATOM 998 C SER A 66 -6.617 6.688 -4.154 1.00 0.00 C ATOM 999 O SER A 66 -7.134 7.743 -3.833 1.00 0.00 O ATOM 1000 CB SER A 66 -7.267 5.280 -6.149 1.00 0.00 C ATOM 1001 OG SER A 66 -6.917 4.908 -7.481 1.00 0.00 O ATOM 0 H SER A 66 -4.814 4.997 -5.634 1.00 0.00 H new ATOM 0 HA SER A 66 -6.530 7.306 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.199 4.412 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.302 5.621 -6.120 1.00 0.00 H new ATOM 0 HG SER A 66 -6.164 4.281 -7.458 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.226 5.791 -3.237 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.637 5.949 -1.817 1.00 0.00 C ATOM 1009 C PHE A 67 -5.522 6.532 -0.920 1.00 0.00 C ATOM 1010 O PHE A 67 -5.677 6.720 0.282 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.176 4.601 -1.246 1.00 0.00 C ATOM 1012 CG PHE A 67 -6.175 3.619 -0.668 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -5.716 3.763 0.633 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -5.720 2.554 -1.398 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -4.821 2.876 1.176 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -4.823 1.654 -0.860 1.00 0.00 C ATOM 1017 CZ PHE A 67 -4.372 1.817 0.424 1.00 0.00 C ATOM 0 H PHE A 67 -5.647 4.974 -3.432 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.444 6.682 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.901 4.835 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.718 4.094 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.070 4.590 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.069 2.416 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.471 3.009 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.476 0.820 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.666 1.115 0.843 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.459 6.891 -1.534 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.279 7.296 -0.802 1.00 0.00 C ATOM 1029 C GLY A 68 -2.316 7.941 -1.733 1.00 0.00 C ATOM 1030 O GLY A 68 -1.120 7.653 -1.746 1.00 0.00 O ATOM 0 H GLY A 68 -4.363 6.919 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.552 7.989 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.818 6.430 -0.327 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.909 8.790 -2.533 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.191 9.518 -3.584 1.00 0.00 C ATOM 1036 C ALA A 69 -1.150 10.517 -3.009 1.00 0.00 C ATOM 1037 O ALA A 69 -0.737 11.456 -3.686 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.207 10.268 -4.437 1.00 0.00 C ATOM 0 H ALA A 69 -3.905 9.006 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.639 8.793 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.688 10.815 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.901 9.557 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.760 10.969 -3.812 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.710 10.263 -1.786 1.00 0.00 N ATOM 1045 CA ASP A 70 0.182 11.105 -1.050 1.00 0.00 C ATOM 1046 C ASP A 70 1.434 10.224 -0.852 1.00 0.00 C ATOM 1047 O ASP A 70 1.838 9.507 -1.792 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.475 11.513 0.281 1.00 0.00 C ATOM 1049 CG ASP A 70 0.370 12.470 1.098 1.00 0.00 C ATOM 1050 OD1 ASP A 70 0.500 13.645 0.726 1.00 0.00 O ATOM 1051 OD2 ASP A 70 0.942 12.034 2.110 1.00 0.00 O ATOM 0 H ASP A 70 -0.984 9.427 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 70 0.432 12.040 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.440 11.976 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.671 10.618 0.871 1.00 0.00 H new ATOM 1056 N ARG A 71 2.016 10.155 0.323 1.00 0.00 N ATOM 1057 CA ARG A 71 3.230 9.467 0.687 1.00 0.00 C ATOM 1058 C ARG A 71 3.260 7.972 0.410 1.00 0.00 C ATOM 1059 O ARG A 71 4.155 7.523 -0.251 1.00 0.00 O ATOM 1060 CB ARG A 71 3.440 9.743 2.145 1.00 0.00 C ATOM 1061 CG ARG A 71 3.914 11.161 2.406 1.00 0.00 C ATOM 1062 CD ARG A 71 3.732 11.589 3.852 1.00 0.00 C ATOM 1063 NE ARG A 71 4.224 12.954 4.069 1.00 0.00 N ATOM 1064 CZ ARG A 71 3.568 14.083 3.750 1.00 0.00 C ATOM 1065 NH1 ARG A 71 2.362 14.038 3.194 1.00 0.00 N ATOM 1066 NH2 ARG A 71 4.143 15.260 3.966 1.00 0.00 N ATOM 0 H ARG A 71 1.607 10.629 1.129 1.00 0.00 H new ATOM 0 HA ARG A 71 4.032 9.846 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.507 9.571 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.172 9.040 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.968 11.241 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.368 11.846 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.677 11.533 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.264 10.900 4.507 1.00 0.00 H new ATOM 0 HE ARG A 71 5.143 13.055 4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.921 13.138 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.877 14.903 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.078 15.304 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.650 16.120 3.726 1.00 0.00 H new ATOM 1080 N LEU A 72 2.302 7.198 0.881 1.00 0.00 N ATOM 1081 CA LEU A 72 2.353 5.719 0.658 1.00 0.00 C ATOM 1082 C LEU A 72 2.499 5.391 -0.831 1.00 0.00 C ATOM 1083 O LEU A 72 3.070 4.393 -1.212 1.00 0.00 O ATOM 1084 CB LEU A 72 1.136 4.957 1.232 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.253 5.352 0.721 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -1.279 4.300 1.096 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -0.662 6.673 1.313 1.00 0.00 C ATOM 0 H LEU A 72 1.493 7.529 1.407 1.00 0.00 H new ATOM 0 HA LEU A 72 3.232 5.378 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.279 3.895 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.143 5.080 2.315 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.207 5.434 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.259 4.599 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.999 3.344 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.318 4.200 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.651 6.946 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.689 6.592 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.057 7.439 1.024 1.00 0.00 H new ATOM 1099 N CYS A 73 2.033 6.308 -1.629 1.00 0.00 N ATOM 1100 CA CYS A 73 2.117 6.057 -3.051 1.00 0.00 C ATOM 1101 C CYS A 73 3.587 6.041 -3.514 1.00 0.00 C ATOM 1102 O CYS A 73 4.142 5.001 -3.912 1.00 0.00 O ATOM 1103 CB CYS A 73 1.286 7.051 -3.871 1.00 0.00 C ATOM 1104 SG CYS A 73 1.322 6.764 -5.662 1.00 0.00 S ATOM 0 H CYS A 73 1.611 7.193 -1.348 1.00 0.00 H new ATOM 0 HA CYS A 73 1.687 5.071 -3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.252 7.009 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.647 8.060 -3.670 1.00 0.00 H new ATOM 0 HG CYS A 73 0.588 7.655 -6.259 1.00 0.00 H new ATOM 1110 N GLU A 74 4.267 7.128 -3.330 1.00 0.00 N ATOM 1111 CA GLU A 74 5.576 7.233 -3.970 1.00 0.00 C ATOM 1112 C GLU A 74 6.667 7.130 -2.947 1.00 0.00 C ATOM 1113 O GLU A 74 7.781 6.619 -3.207 1.00 0.00 O ATOM 1114 CB GLU A 74 5.660 8.554 -4.722 1.00 0.00 C ATOM 1115 CG GLU A 74 6.743 8.604 -5.761 1.00 0.00 C ATOM 1116 CD GLU A 74 6.410 7.695 -6.913 1.00 0.00 C ATOM 1117 OE1 GLU A 74 6.701 6.488 -6.845 1.00 0.00 O ATOM 1118 OE2 GLU A 74 5.802 8.171 -7.889 1.00 0.00 O ATOM 0 H GLU A 74 3.973 7.930 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 74 5.704 6.413 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.701 8.747 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.823 9.358 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.864 9.626 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.694 8.307 -5.318 1.00 0.00 H new ATOM 1125 N ARG A 75 6.317 7.583 -1.785 1.00 0.00 N ATOM 1126 CA ARG A 75 7.197 7.631 -0.676 1.00 0.00 C ATOM 1127 C ARG A 75 7.229 6.221 -0.068 1.00 0.00 C ATOM 1128 O ARG A 75 8.103 5.891 0.666 1.00 0.00 O ATOM 1129 CB ARG A 75 6.696 8.740 0.289 1.00 0.00 C ATOM 1130 CG ARG A 75 7.242 8.774 1.717 1.00 0.00 C ATOM 1131 CD ARG A 75 6.648 7.652 2.559 1.00 0.00 C ATOM 1132 NE ARG A 75 7.353 7.389 3.817 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.782 6.166 4.182 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.861 5.211 3.270 1.00 0.00 N ATOM 1135 NH2 ARG A 75 8.211 5.940 5.419 1.00 0.00 N ATOM 0 H ARG A 75 5.383 7.938 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 75 8.222 7.895 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.916 9.703 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.611 8.657 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.328 8.682 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.013 9.736 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.610 7.896 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.638 6.738 1.966 1.00 0.00 H new ATOM 0 HE ARG A 75 7.527 8.172 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.599 5.406 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.184 4.280 3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.218 6.697 6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.534 5.010 5.685 1.00 0.00 H new ATOM 1149 N ALA A 76 6.288 5.358 -0.351 1.00 0.00 N ATOM 1150 CA ALA A 76 6.521 4.024 0.148 1.00 0.00 C ATOM 1151 C ALA A 76 7.422 3.384 -0.853 1.00 0.00 C ATOM 1152 O ALA A 76 8.416 2.812 -0.512 1.00 0.00 O ATOM 1153 CB ALA A 76 5.252 3.227 0.327 1.00 0.00 C ATOM 0 H ALA A 76 5.429 5.525 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 76 6.962 4.061 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.496 2.234 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.600 3.735 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.742 3.135 -0.632 1.00 0.00 H new ATOM 1159 N ILE A 77 7.026 3.591 -2.096 1.00 0.00 N ATOM 1160 CA ILE A 77 7.862 2.970 -3.122 1.00 0.00 C ATOM 1161 C ILE A 77 9.402 3.252 -3.008 1.00 0.00 C ATOM 1162 O ILE A 77 10.165 2.361 -2.527 1.00 0.00 O ATOM 1163 CB ILE A 77 7.268 3.032 -4.559 1.00 0.00 C ATOM 1164 CG1 ILE A 77 6.087 2.038 -4.694 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.323 2.632 -5.585 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.068 2.091 -3.582 1.00 0.00 C ATOM 0 H ILE A 77 6.216 4.127 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 77 7.817 1.909 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 77 6.931 4.053 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.579 2.229 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.490 1.026 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.894 2.680 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.170 3.315 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.660 1.615 -5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.284 1.357 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.554 1.866 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.629 3.088 -3.538 1.00 0.00 H new ATOM 1178 N ALA A 78 9.910 4.424 -3.405 1.00 0.00 N ATOM 1179 CA ALA A 78 11.348 4.644 -3.164 1.00 0.00 C ATOM 1180 C ALA A 78 11.794 4.805 -1.720 1.00 0.00 C ATOM 1181 O ALA A 78 12.958 4.544 -1.420 1.00 0.00 O ATOM 1182 CB ALA A 78 11.847 5.828 -3.972 1.00 0.00 C ATOM 0 H ALA A 78 9.400 5.182 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 78 11.798 3.705 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.910 5.976 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.691 5.636 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.298 6.724 -3.681 1.00 0.00 H new ATOM 1188 N ILE A 79 10.898 5.148 -0.824 1.00 0.00 N ATOM 1189 CA ILE A 79 11.314 5.595 0.491 1.00 0.00 C ATOM 1190 C ILE A 79 11.242 4.492 1.552 1.00 0.00 C ATOM 1191 O ILE A 79 11.961 4.534 2.608 1.00 0.00 O ATOM 1192 CB ILE A 79 10.568 6.880 0.836 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.782 7.891 -0.293 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.949 7.460 2.177 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.198 8.422 -0.429 1.00 0.00 C ATOM 0 H ILE A 79 9.889 5.128 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 79 12.377 5.835 0.476 1.00 0.00 H new ATOM 0 HB ILE A 79 9.509 6.637 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.494 7.425 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.109 8.734 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.379 8.372 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.730 6.736 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.014 7.691 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.243 9.130 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.489 8.924 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.880 7.594 -0.622 1.00 0.00 H new ATOM 1207 N ASP A 80 10.822 3.337 1.082 1.00 0.00 N ATOM 1208 CA ASP A 80 10.792 2.169 1.851 1.00 0.00 C ATOM 1209 C ASP A 80 11.982 1.510 1.599 1.00 0.00 C ATOM 1210 O ASP A 80 12.841 1.549 2.471 1.00 0.00 O ATOM 1211 CB ASP A 80 9.600 1.238 1.571 1.00 0.00 C ATOM 1212 CG ASP A 80 8.379 1.544 2.417 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.200 2.692 2.857 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.647 0.599 2.766 1.00 0.00 O ATOM 0 H ASP A 80 10.489 3.209 0.126 1.00 0.00 H new ATOM 0 HA ASP A 80 10.670 2.451 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.330 1.314 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.906 0.207 1.748 1.00 0.00 H new ATOM 1219 N LYS A 81 12.095 1.085 0.337 1.00 0.00 N ATOM 1220 CA LYS A 81 13.172 0.268 -0.088 1.00 0.00 C ATOM 1221 C LYS A 81 14.454 0.775 0.540 1.00 0.00 C ATOM 1222 O LYS A 81 15.003 0.091 1.419 1.00 0.00 O ATOM 1223 CB LYS A 81 13.200 0.102 -1.636 1.00 0.00 C ATOM 1224 CG LYS A 81 13.589 1.312 -2.469 1.00 0.00 C ATOM 1225 CD LYS A 81 13.533 0.998 -3.943 1.00 0.00 C ATOM 1226 CE LYS A 81 14.120 2.135 -4.753 1.00 0.00 C ATOM 1227 NZ LYS A 81 14.157 1.818 -6.201 1.00 0.00 N ATOM 0 H LYS A 81 11.427 1.313 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 81 13.040 -0.754 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.892 -0.706 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.210 -0.222 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.919 2.142 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.595 1.634 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.082 0.079 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.500 0.825 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.530 3.037 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.130 2.348 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.565 2.620 -6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.741 0.971 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.191 1.639 -6.542 1.00 0.00 H new ATOM 1241 N LYS A 82 14.833 2.013 0.173 1.00 0.00 N ATOM 1242 CA LYS A 82 15.981 2.700 0.727 1.00 0.00 C ATOM 1243 C LYS A 82 16.275 2.441 2.186 1.00 0.00 C ATOM 1244 O LYS A 82 17.211 1.678 2.486 1.00 0.00 O ATOM 1245 CB LYS A 82 16.076 4.175 0.276 1.00 0.00 C ATOM 1246 CG LYS A 82 14.992 5.112 0.767 1.00 0.00 C ATOM 1247 CD LYS A 82 15.306 5.633 2.139 1.00 0.00 C ATOM 1248 CE LYS A 82 14.337 6.700 2.592 1.00 0.00 C ATOM 1249 NZ LYS A 82 14.662 7.208 3.943 1.00 0.00 N ATOM 0 H LYS A 82 14.333 2.560 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 82 16.836 2.208 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.038 4.569 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.076 4.197 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.887 5.946 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.036 4.589 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.289 4.807 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.317 6.039 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.350 7.526 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.325 6.295 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.983 7.950 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.608 6.428 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.624 7.603 3.943 1.00 0.00 H new ATOM 1263 N ALA A 83 15.428 2.736 3.133 1.00 0.00 N ATOM 1264 CA ALA A 83 15.956 2.614 4.462 1.00 0.00 C ATOM 1265 C ALA A 83 14.935 2.148 5.344 1.00 0.00 C ATOM 1266 O ALA A 83 15.218 1.496 6.285 1.00 0.00 O ATOM 1267 CB ALA A 83 16.587 3.892 4.986 1.00 0.00 C ATOM 0 H ALA A 83 14.458 3.035 3.031 1.00 0.00 H new ATOM 0 HA ALA A 83 16.766 1.886 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.964 3.725 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.411 4.185 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.840 4.685 5.005 1.00 0.00 H new ATOM 1273 N LYS A 84 13.745 2.559 5.088 1.00 0.00 N ATOM 1274 CA LYS A 84 12.701 1.967 5.817 1.00 0.00 C ATOM 1275 C LYS A 84 12.799 0.423 5.651 1.00 0.00 C ATOM 1276 O LYS A 84 12.764 -0.291 6.643 1.00 0.00 O ATOM 1277 CB LYS A 84 11.359 2.587 5.402 1.00 0.00 C ATOM 1278 CG LYS A 84 10.303 1.597 5.022 1.00 0.00 C ATOM 1279 CD LYS A 84 9.812 0.789 6.216 1.00 0.00 C ATOM 1280 CE LYS A 84 8.926 -0.350 5.769 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.605 0.099 5.268 1.00 0.00 N ATOM 0 H LYS A 84 13.483 3.273 4.408 1.00 0.00 H new ATOM 0 HA LYS A 84 12.782 2.166 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.986 3.197 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.529 3.257 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.461 2.122 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.699 0.919 4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.665 0.396 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.261 1.438 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.434 -0.910 4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.777 -1.035 6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.853 -0.448 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.479 1.110 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.555 -0.049 4.240 1.00 0.00 H new ATOM 1295 N ALA A 85 13.011 -0.091 4.433 1.00 0.00 N ATOM 1296 CA ALA A 85 13.068 -1.502 4.273 1.00 0.00 C ATOM 1297 C ALA A 85 14.426 -2.032 4.628 1.00 0.00 C ATOM 1298 O ALA A 85 14.494 -3.053 5.330 1.00 0.00 O ATOM 1299 CB ALA A 85 12.757 -1.884 2.845 1.00 0.00 C ATOM 0 H ALA A 85 13.140 0.453 3.580 1.00 0.00 H new ATOM 0 HA ALA A 85 12.327 -1.937 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.805 -2.968 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.756 -1.538 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.485 -1.422 2.178 1.00 0.00 H new ATOM 1305 N ASN A 86 15.523 -1.296 4.317 1.00 0.00 N ATOM 1306 CA ASN A 86 16.798 -1.848 4.734 1.00 0.00 C ATOM 1307 C ASN A 86 17.066 -1.668 6.171 1.00 0.00 C ATOM 1308 O ASN A 86 18.067 -2.157 6.683 1.00 0.00 O ATOM 1309 CB ASN A 86 17.965 -1.306 3.986 1.00 0.00 C ATOM 1310 CG ASN A 86 18.158 -1.920 2.612 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.642 -1.264 1.689 1.00 0.00 O ATOM 1312 ND2 ASN A 86 17.821 -3.188 2.461 1.00 0.00 N ATOM 0 H ASN A 86 15.542 -0.403 3.825 1.00 0.00 H new ATOM 0 HA ASN A 86 16.691 -2.909 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.845 -0.228 3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.868 -1.468 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.960 -3.649 1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.422 -3.706 3.244 1.00 0.00 H new ATOM 1319 N GLN A 87 16.244 -0.927 6.824 1.00 0.00 N ATOM 1320 CA GLN A 87 16.479 -0.776 8.185 1.00 0.00 C ATOM 1321 C GLN A 87 15.641 -1.720 9.002 1.00 0.00 C ATOM 1322 O GLN A 87 15.805 -1.829 10.220 1.00 0.00 O ATOM 1323 CB GLN A 87 16.430 0.658 8.644 1.00 0.00 C ATOM 1324 CG GLN A 87 17.188 0.863 9.908 1.00 0.00 C ATOM 1325 CD GLN A 87 18.470 0.038 9.899 1.00 0.00 C ATOM 1326 OE1 GLN A 87 19.526 0.491 9.460 1.00 0.00 O ATOM 1327 NE2 GLN A 87 18.352 -1.188 10.370 1.00 0.00 N ATOM 0 H GLN A 87 15.435 -0.438 6.442 1.00 0.00 H new ATOM 0 HA GLN A 87 17.513 -1.070 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.840 1.302 7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.392 0.957 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.429 1.919 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.571 0.578 10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.452 -1.514 10.723 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.160 -1.810 10.382 1.00 0.00 H new ATOM 1336 N LEU A 88 14.703 -2.382 8.392 1.00 0.00 N ATOM 1337 CA LEU A 88 13.986 -3.451 8.991 1.00 0.00 C ATOM 1338 C LEU A 88 14.965 -4.566 9.315 1.00 0.00 C ATOM 1339 O LEU A 88 15.282 -4.825 10.480 1.00 0.00 O ATOM 1340 CB LEU A 88 12.975 -3.978 7.989 1.00 0.00 C ATOM 1341 CG LEU A 88 11.890 -3.029 7.519 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.784 -3.785 6.823 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.352 -2.155 8.644 1.00 0.00 C ATOM 0 H LEU A 88 14.412 -2.181 7.435 1.00 0.00 H new ATOM 0 HA LEU A 88 13.483 -3.109 9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.521 -4.324 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.491 -4.850 8.428 1.00 0.00 H new ATOM 0 HG LEU A 88 12.345 -2.350 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.016 -3.085 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.190 -4.311 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.346 -4.506 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.578 -1.494 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.929 -2.787 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.163 -1.557 9.060 1.00 0.00 H new ATOM 1355 N GLN A 89 15.413 -5.265 8.291 1.00 0.00 N ATOM 1356 CA GLN A 89 16.371 -6.327 8.416 1.00 0.00 C ATOM 1357 C GLN A 89 17.758 -5.736 8.309 1.00 0.00 C ATOM 1358 O GLN A 89 17.942 -4.724 7.663 1.00 0.00 O ATOM 1359 CB GLN A 89 16.197 -7.352 7.280 1.00 0.00 C ATOM 1360 CG GLN A 89 16.622 -6.883 5.894 1.00 0.00 C ATOM 1361 CD GLN A 89 15.758 -5.824 5.282 1.00 0.00 C ATOM 1362 OE1 GLN A 89 16.268 -4.971 4.563 1.00 0.00 O ATOM 1363 NE2 GLN A 89 14.463 -5.910 5.465 1.00 0.00 N ATOM 0 H GLN A 89 15.110 -5.101 7.331 1.00 0.00 H new ATOM 0 HA GLN A 89 16.224 -6.825 9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.768 -8.246 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.148 -7.645 7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.643 -6.506 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.639 -7.745 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.081 -6.635 6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.837 -5.252 5.001 1.00 0.00 H new ATOM 1372 N GLU A 90 18.729 -6.331 8.939 1.00 0.00 N ATOM 1373 CA GLU A 90 20.101 -5.929 8.734 1.00 0.00 C ATOM 1374 C GLU A 90 20.741 -6.913 7.751 1.00 0.00 C ATOM 1375 O GLU A 90 21.936 -6.887 7.482 1.00 0.00 O ATOM 1376 CB GLU A 90 20.874 -5.788 10.064 1.00 0.00 C ATOM 1377 CG GLU A 90 20.436 -6.717 11.193 1.00 0.00 C ATOM 1378 CD GLU A 90 20.472 -8.175 10.832 1.00 0.00 C ATOM 1379 OE1 GLU A 90 21.549 -8.796 10.919 1.00 0.00 O ATOM 1380 OE2 GLU A 90 19.414 -8.727 10.475 1.00 0.00 O ATOM 0 H GLU A 90 18.602 -7.097 9.600 1.00 0.00 H new ATOM 0 HA GLU A 90 20.139 -4.930 8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.932 -5.962 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.779 -4.759 10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 90 21.080 -6.551 12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.423 -6.453 11.495 1.00 0.00 H new ATOM 1387 N GLN A 91 19.883 -7.787 7.222 1.00 0.00 N ATOM 1388 CA GLN A 91 20.252 -8.823 6.255 1.00 0.00 C ATOM 1389 C GLN A 91 20.243 -8.250 4.838 1.00 0.00 C ATOM 1390 O GLN A 91 20.552 -8.947 3.873 1.00 0.00 O ATOM 1391 CB GLN A 91 19.258 -9.984 6.325 1.00 0.00 C ATOM 1392 CG GLN A 91 19.126 -10.619 7.698 1.00 0.00 C ATOM 1393 CD GLN A 91 20.396 -11.310 8.169 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.166 -11.848 7.374 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.669 -11.231 9.449 1.00 0.00 N ATOM 0 H GLN A 91 18.891 -7.795 7.459 1.00 0.00 H new ATOM 0 HA GLN A 91 21.253 -9.180 6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.278 -9.626 6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.563 -10.750 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.850 -9.851 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.313 -11.344 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.011 -10.779 10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.539 -11.622 9.810 1.00 0.00 H new ATOM 1404 N GLY A 92 19.884 -6.977 4.728 1.00 0.00 N ATOM 1405 CA GLY A 92 19.895 -6.298 3.455 1.00 0.00 C ATOM 1406 C GLY A 92 18.852 -6.743 2.443 1.00 0.00 C ATOM 1407 O GLY A 92 19.217 -7.306 1.420 1.00 0.00 O ATOM 0 H GLY A 92 19.582 -6.399 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.763 -5.231 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.881 -6.426 3.008 1.00 0.00 H new ATOM 1411 N MET A 93 17.573 -6.438 2.722 1.00 0.00 N ATOM 1412 CA MET A 93 16.428 -6.612 1.823 1.00 0.00 C ATOM 1413 C MET A 93 16.340 -7.966 1.169 1.00 0.00 C ATOM 1414 O MET A 93 16.882 -8.226 0.084 1.00 0.00 O ATOM 1415 CB MET A 93 16.137 -5.406 0.942 1.00 0.00 C ATOM 1416 CG MET A 93 15.150 -5.633 -0.198 1.00 0.00 C ATOM 1417 SD MET A 93 15.083 -4.224 -1.325 1.00 0.00 S ATOM 1418 CE MET A 93 14.694 -2.919 -0.171 1.00 0.00 C ATOM 0 H MET A 93 17.301 -6.045 3.623 1.00 0.00 H new ATOM 0 HA MET A 93 15.557 -6.632 2.478 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.754 -4.604 1.573 1.00 0.00 H new ATOM 0 HB3 MET A 93 17.078 -5.056 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.435 -6.527 -0.752 1.00 0.00 H new ATOM 0 HG3 MET A 93 14.157 -5.816 0.213 1.00 0.00 H new ATOM 0 HE1 MET A 93 13.814 -2.377 -0.518 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.492 -3.349 0.810 1.00 0.00 H new ATOM 0 HE3 MET A 93 15.538 -2.233 -0.099 1.00 0.00 H new ATOM 1428 N GLU A 94 15.630 -8.820 1.853 1.00 0.00 N ATOM 1429 CA GLU A 94 15.620 -10.205 1.541 1.00 0.00 C ATOM 1430 C GLU A 94 14.257 -10.883 1.628 1.00 0.00 C ATOM 1431 O GLU A 94 14.069 -11.920 0.966 1.00 0.00 O ATOM 1432 CB GLU A 94 16.682 -10.897 2.405 1.00 0.00 C ATOM 1433 CG GLU A 94 16.855 -10.327 3.828 1.00 0.00 C ATOM 1434 CD GLU A 94 15.683 -10.509 4.776 1.00 0.00 C ATOM 1435 OE1 GLU A 94 14.761 -9.665 4.786 1.00 0.00 O ATOM 1436 OE2 GLU A 94 15.703 -11.486 5.559 1.00 0.00 O ATOM 0 H GLU A 94 15.042 -8.564 2.646 1.00 0.00 H new ATOM 0 HA GLU A 94 15.865 -10.305 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.428 -11.954 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.640 -10.837 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.733 -10.791 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.065 -9.261 3.746 1.00 0.00 H new ATOM 1443 N THR A 95 13.291 -10.284 2.349 1.00 0.00 N ATOM 1444 CA THR A 95 12.008 -10.932 2.624 1.00 0.00 C ATOM 1445 C THR A 95 11.233 -10.193 3.742 1.00 0.00 C ATOM 1446 O THR A 95 10.001 -10.050 3.675 1.00 0.00 O ATOM 1447 CB THR A 95 12.172 -12.445 3.003 1.00 0.00 C ATOM 1448 OG1 THR A 95 10.900 -13.080 3.194 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.018 -12.628 4.254 1.00 0.00 C ATOM 0 H THR A 95 13.381 -9.350 2.750 1.00 0.00 H new ATOM 0 HA THR A 95 11.435 -10.879 1.698 1.00 0.00 H new ATOM 0 HB THR A 95 12.683 -12.917 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.853 -13.890 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.106 -13.690 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.010 -12.209 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.544 -12.116 5.092 1.00 0.00 H new ATOM 1457 N SER A 96 11.944 -9.671 4.738 1.00 0.00 N ATOM 1458 CA SER A 96 11.298 -9.118 5.924 1.00 0.00 C ATOM 1459 C SER A 96 10.552 -7.827 5.659 1.00 0.00 C ATOM 1460 O SER A 96 9.718 -7.406 6.451 1.00 0.00 O ATOM 1461 CB SER A 96 12.330 -8.940 7.040 1.00 0.00 C ATOM 1462 OG SER A 96 11.753 -8.391 8.221 1.00 0.00 O ATOM 0 H SER A 96 12.963 -9.620 4.748 1.00 0.00 H new ATOM 0 HA SER A 96 10.539 -9.835 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.782 -9.904 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.131 -8.288 6.692 1.00 0.00 H new ATOM 0 HG SER A 96 10.947 -7.886 7.987 1.00 0.00 H new ATOM 1468 N GLU A 97 10.849 -7.234 4.561 1.00 0.00 N ATOM 1469 CA GLU A 97 10.289 -5.964 4.205 1.00 0.00 C ATOM 1470 C GLU A 97 9.089 -6.151 3.284 1.00 0.00 C ATOM 1471 O GLU A 97 8.050 -5.503 3.431 1.00 0.00 O ATOM 1472 CB GLU A 97 11.398 -5.077 3.607 1.00 0.00 C ATOM 1473 CG GLU A 97 11.977 -5.493 2.252 1.00 0.00 C ATOM 1474 CD GLU A 97 12.587 -6.858 2.308 1.00 0.00 C ATOM 1475 OE1 GLU A 97 13.738 -6.985 2.682 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.871 -7.820 2.080 1.00 0.00 O ATOM 0 H GLU A 97 11.495 -7.614 3.869 1.00 0.00 H new ATOM 0 HA GLU A 97 9.906 -5.450 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.004 -4.065 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.217 -5.032 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.189 -5.477 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.731 -4.770 1.940 1.00 0.00 H new ATOM 1483 N MET A 98 9.245 -7.029 2.340 1.00 0.00 N ATOM 1484 CA MET A 98 8.212 -7.391 1.398 1.00 0.00 C ATOM 1485 C MET A 98 7.044 -8.120 2.103 1.00 0.00 C ATOM 1486 O MET A 98 5.901 -7.835 1.847 1.00 0.00 O ATOM 1487 CB MET A 98 8.845 -8.184 0.232 1.00 0.00 C ATOM 1488 CG MET A 98 9.658 -9.388 0.664 1.00 0.00 C ATOM 1489 SD MET A 98 10.807 -10.001 -0.595 1.00 0.00 S ATOM 1490 CE MET A 98 11.845 -8.573 -0.918 1.00 0.00 C ATOM 0 H MET A 98 10.120 -7.533 2.194 1.00 0.00 H new ATOM 0 HA MET A 98 7.761 -6.497 0.967 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.052 -8.517 -0.438 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.486 -7.514 -0.341 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.223 -9.128 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.976 -10.192 0.940 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.817 -8.336 -1.982 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.479 -7.720 -0.346 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.871 -8.794 -0.623 1.00 0.00 H new ATOM 1500 N LEU A 99 7.331 -9.051 3.008 1.00 0.00 N ATOM 1501 CA LEU A 99 6.228 -9.690 3.777 1.00 0.00 C ATOM 1502 C LEU A 99 5.567 -8.663 4.730 1.00 0.00 C ATOM 1503 O LEU A 99 4.356 -8.743 5.095 1.00 0.00 O ATOM 1504 CB LEU A 99 6.778 -10.861 4.587 1.00 0.00 C ATOM 1505 CG LEU A 99 7.533 -11.933 3.796 1.00 0.00 C ATOM 1506 CD1 LEU A 99 8.057 -13.009 4.730 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.661 -12.528 2.690 1.00 0.00 C ATOM 0 H LEU A 99 8.270 -9.380 3.233 1.00 0.00 H new ATOM 0 HA LEU A 99 5.476 -10.052 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.446 -10.465 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.947 -11.339 5.106 1.00 0.00 H new ATOM 0 HG LEU A 99 8.387 -11.460 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.591 -13.763 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.735 -12.561 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.222 -13.476 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.227 -13.285 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.775 -12.984 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.358 -11.739 2.001 1.00 0.00 H new ATOM 1519 N ALA A 100 6.394 -7.703 5.123 1.00 0.00 N ATOM 1520 CA ALA A 100 5.966 -6.611 5.981 1.00 0.00 C ATOM 1521 C ALA A 100 4.818 -5.860 5.355 1.00 0.00 C ATOM 1522 O ALA A 100 3.966 -5.350 6.060 1.00 0.00 O ATOM 1523 CB ALA A 100 7.106 -5.662 6.317 1.00 0.00 C ATOM 0 H ALA A 100 7.377 -7.661 4.856 1.00 0.00 H new ATOM 0 HA ALA A 100 5.628 -7.054 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.737 -4.863 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.894 -6.209 6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.505 -5.233 5.398 1.00 0.00 H new ATOM 1529 N LEU A 101 4.774 -5.855 4.025 1.00 0.00 N ATOM 1530 CA LEU A 101 3.711 -5.229 3.253 1.00 0.00 C ATOM 1531 C LEU A 101 2.368 -5.700 3.679 1.00 0.00 C ATOM 1532 O LEU A 101 1.457 -4.907 3.745 1.00 0.00 O ATOM 1533 CB LEU A 101 3.826 -5.531 1.785 1.00 0.00 C ATOM 1534 CG LEU A 101 5.106 -5.016 1.105 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.230 -5.523 -0.318 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.181 -3.498 1.142 1.00 0.00 C ATOM 0 H LEU A 101 5.490 -6.294 3.446 1.00 0.00 H new ATOM 0 HA LEU A 101 3.820 -4.160 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.771 -6.611 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.965 -5.101 1.274 1.00 0.00 H new ATOM 0 HG LEU A 101 5.948 -5.412 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.147 -5.137 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.259 -6.613 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.373 -5.185 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.097 -3.167 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.320 -3.078 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.179 -3.159 2.178 1.00 0.00 H new ATOM 1548 N LEU A 102 2.214 -6.969 3.985 1.00 0.00 N ATOM 1549 CA LEU A 102 0.951 -7.507 4.375 1.00 0.00 C ATOM 1550 C LEU A 102 0.496 -6.939 5.705 1.00 0.00 C ATOM 1551 O LEU A 102 -0.601 -6.394 5.798 1.00 0.00 O ATOM 1552 CB LEU A 102 0.994 -9.020 4.455 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.281 -9.644 5.005 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.435 -9.534 4.011 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.055 -11.073 5.455 1.00 0.00 C ATOM 0 H LEU A 102 2.972 -7.652 3.967 1.00 0.00 H new ATOM 0 HA LEU A 102 0.234 -7.219 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.184 -9.422 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.833 -9.317 5.084 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.567 -9.074 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.328 -9.990 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.631 -8.484 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.170 -10.050 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.987 -11.485 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.283 -11.672 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.702 -11.092 6.239 1.00 0.00 H new ATOM 1567 N HIS A 103 1.331 -7.080 6.733 1.00 0.00 N ATOM 1568 CA HIS A 103 0.894 -6.566 8.041 1.00 0.00 C ATOM 1569 C HIS A 103 0.633 -5.045 8.004 1.00 0.00 C ATOM 1570 O HIS A 103 -0.197 -4.526 8.743 1.00 0.00 O ATOM 1571 CB HIS A 103 1.787 -6.986 9.236 1.00 0.00 C ATOM 1572 CG HIS A 103 3.221 -6.547 9.195 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.568 -5.219 9.195 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.346 -7.299 9.157 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.883 -5.191 9.146 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.399 -6.426 9.133 1.00 0.00 N ATOM 0 H HIS A 103 2.254 -7.514 6.702 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.059 -7.060 8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.338 -6.596 10.149 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.766 -8.073 9.310 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.401 -8.378 9.147 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.471 -4.286 9.120 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.389 -6.670 9.110 1.00 0.00 H new ATOM 1584 N ILE A 104 1.289 -4.355 7.084 1.00 0.00 N ATOM 1585 CA ILE A 104 1.045 -2.922 6.955 1.00 0.00 C ATOM 1586 C ILE A 104 -0.203 -2.661 6.100 1.00 0.00 C ATOM 1587 O ILE A 104 -1.045 -1.850 6.449 1.00 0.00 O ATOM 1588 CB ILE A 104 2.318 -2.090 6.491 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.043 -0.583 6.270 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.966 -2.657 5.252 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.446 -0.248 4.902 1.00 0.00 C ATOM 0 H ILE A 104 1.972 -4.744 6.435 1.00 0.00 H new ATOM 0 HA ILE A 104 0.841 -2.542 7.956 1.00 0.00 H new ATOM 0 HB ILE A 104 3.005 -2.183 7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.363 -0.232 7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.976 -0.033 6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.829 -2.049 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.289 -3.680 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.248 -2.653 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.284 0.827 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.133 -0.566 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.495 -0.767 4.783 1.00 0.00 H new ATOM 1603 N THR A 105 -0.355 -3.402 5.034 1.00 0.00 N ATOM 1604 CA THR A 105 -1.476 -3.173 4.147 1.00 0.00 C ATOM 1605 C THR A 105 -2.788 -3.631 4.788 1.00 0.00 C ATOM 1606 O THR A 105 -3.816 -2.981 4.651 1.00 0.00 O ATOM 1607 CB THR A 105 -1.262 -3.820 2.736 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.196 -3.284 1.794 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.438 -5.329 2.771 1.00 0.00 C ATOM 0 H THR A 105 0.270 -4.159 4.757 1.00 0.00 H new ATOM 0 HA THR A 105 -1.542 -2.097 3.985 1.00 0.00 H new ATOM 0 HB THR A 105 -0.240 -3.588 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.502 -2.405 2.101 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.281 -5.737 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.713 -5.764 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.447 -5.570 3.107 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.736 -4.714 5.522 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.932 -5.246 6.104 1.00 0.00 C ATOM 1619 C ARG A 106 -4.276 -4.488 7.358 1.00 0.00 C ATOM 1620 O ARG A 106 -5.326 -3.914 7.453 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.796 -6.735 6.414 1.00 0.00 C ATOM 1622 CG ARG A 106 -5.078 -7.367 6.931 1.00 0.00 C ATOM 1623 CD ARG A 106 -4.843 -8.796 7.388 1.00 0.00 C ATOM 1624 NE ARG A 106 -3.980 -8.854 8.575 1.00 0.00 N ATOM 1625 CZ ARG A 106 -3.529 -9.976 9.137 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -3.756 -11.160 8.572 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -2.838 -9.910 10.259 1.00 0.00 N ATOM 0 H ARG A 106 -1.885 -5.237 5.727 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.735 -5.130 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.481 -7.258 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.008 -6.873 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.468 -6.777 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.835 -7.353 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.800 -9.268 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.387 -9.366 6.579 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.705 -7.969 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.280 -11.216 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.405 -12.011 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.652 -9.005 10.691 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.490 -10.764 10.695 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.346 -4.367 8.267 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.649 -3.820 9.574 1.00 0.00 C ATOM 1643 C ASP A 107 -3.790 -2.304 9.581 1.00 0.00 C ATOM 1644 O ASP A 107 -4.727 -1.743 10.198 1.00 0.00 O ATOM 1645 CB ASP A 107 -2.652 -4.338 10.610 1.00 0.00 C ATOM 1646 CG ASP A 107 -2.933 -5.779 11.004 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -2.508 -6.720 10.298 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -3.602 -6.001 12.039 1.00 0.00 O ATOM 0 H ASP A 107 -2.372 -4.638 8.133 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.639 -4.179 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.641 -4.263 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.691 -3.706 11.497 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.932 -1.627 8.844 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.972 -0.181 8.819 1.00 0.00 C ATOM 1655 C ALA A 108 -4.208 0.305 8.080 1.00 0.00 C ATOM 1656 O ALA A 108 -4.974 1.051 8.630 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.710 0.397 8.210 1.00 0.00 C ATOM 0 H ALA A 108 -2.208 -2.049 8.262 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.028 0.172 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.773 1.485 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.847 0.085 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.602 0.037 7.187 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.504 -0.288 6.938 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.600 0.250 6.101 1.00 0.00 C ATOM 1665 C TYR A 109 -6.960 -0.097 6.697 1.00 0.00 C ATOM 1666 O TYR A 109 -7.948 0.593 6.520 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.456 -0.213 4.643 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.152 0.224 3.979 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.454 1.357 4.405 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -3.607 -0.515 2.943 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.264 1.727 3.812 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -2.416 -0.150 2.348 1.00 0.00 C ATOM 1673 CZ TYR A 109 -1.749 0.966 2.785 1.00 0.00 C ATOM 1674 OH TYR A 109 -0.564 1.321 2.186 1.00 0.00 O ATOM 0 H TYR A 109 -4.031 -1.111 6.565 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.530 1.338 6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.522 -1.300 4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.294 0.175 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.853 1.953 5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.125 -1.396 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.739 2.608 4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.011 -0.742 1.541 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.347 0.675 1.482 1.00 0.00 H new ATOM 1684 N ARG A 110 -6.925 -1.163 7.431 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.152 -1.545 8.144 1.00 0.00 C ATOM 1686 C ARG A 110 -8.464 -0.580 9.305 1.00 0.00 C ATOM 1687 O ARG A 110 -9.481 -0.713 9.976 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.137 -2.993 8.593 1.00 0.00 C ATOM 1689 CG ARG A 110 -8.185 -3.954 7.423 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.528 -3.942 6.710 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.563 -4.875 5.572 1.00 0.00 N ATOM 1692 CZ ARG A 110 -9.828 -6.191 5.663 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.926 -6.769 6.856 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -9.989 -6.928 4.565 1.00 0.00 N ATOM 0 H ARG A 110 -6.118 -1.772 7.564 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.968 -1.457 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.237 -3.181 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -8.988 -3.178 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.399 -3.696 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.975 -4.963 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.315 -4.205 7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.741 -2.933 6.357 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.372 -4.495 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.800 -6.215 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.127 -7.767 6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.912 -6.495 3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.190 -7.925 4.645 1.00 0.00 H new ATOM 1708 N SER A 111 -7.562 0.364 9.558 1.00 0.00 N ATOM 1709 CA SER A 111 -7.790 1.390 10.568 1.00 0.00 C ATOM 1710 C SER A 111 -8.403 2.723 10.018 1.00 0.00 C ATOM 1711 O SER A 111 -8.873 3.536 10.808 1.00 0.00 O ATOM 1712 CB SER A 111 -6.475 1.678 11.288 1.00 0.00 C ATOM 1713 OG SER A 111 -5.863 0.469 11.738 1.00 0.00 O ATOM 0 H SER A 111 -6.666 0.439 9.076 1.00 0.00 H new ATOM 0 HA SER A 111 -8.538 0.989 11.252 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.797 2.205 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.658 2.336 12.138 1.00 0.00 H new ATOM 0 HG SER A 111 -5.488 -0.013 10.971 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.400 2.960 8.688 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.897 4.245 8.148 1.00 0.00 C ATOM 1721 C TRP A 112 -9.470 4.080 6.754 1.00 0.00 C ATOM 1722 O TRP A 112 -10.453 4.717 6.376 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.772 5.300 8.134 1.00 0.00 C ATOM 1724 CG TRP A 112 -6.379 4.713 8.263 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.744 3.886 7.376 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -5.463 4.909 9.345 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.503 3.565 7.829 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -4.301 4.169 9.047 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -5.514 5.631 10.540 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.199 4.138 9.900 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -4.422 5.599 11.384 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -3.280 4.855 11.061 1.00 0.00 C ATOM 0 H TRP A 112 -8.069 2.299 7.985 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.697 4.586 8.804 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -7.832 5.869 7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -7.936 6.004 8.950 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.169 3.537 6.447 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.830 2.972 7.343 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -6.392 6.204 10.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.315 3.569 9.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -4.449 6.157 12.308 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -2.444 4.848 11.745 1.00 0.00 H new ATOM 1743 N THR A 113 -8.818 3.221 6.021 1.00 0.00 N ATOM 1744 CA THR A 113 -9.242 2.966 4.664 1.00 0.00 C ATOM 1745 C THR A 113 -10.574 2.244 4.593 1.00 0.00 C ATOM 1746 O THR A 113 -11.591 2.857 4.224 1.00 0.00 O ATOM 1747 CB THR A 113 -8.142 2.187 3.940 1.00 0.00 C ATOM 1748 OG1 THR A 113 -6.889 2.847 4.198 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.383 2.161 2.449 1.00 0.00 C ATOM 0 H THR A 113 -8.003 2.691 6.330 1.00 0.00 H new ATOM 0 HA THR A 113 -9.401 3.923 4.167 1.00 0.00 H new ATOM 0 HB THR A 113 -8.133 1.159 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.053 3.683 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.585 1.601 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.341 1.683 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.397 3.181 2.065 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.595 0.993 4.978 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.811 0.229 4.931 1.00 0.00 C ATOM 1759 C ASN A 114 -11.516 -1.109 5.542 1.00 0.00 C ATOM 1760 O ASN A 114 -11.575 -1.204 6.778 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.314 0.076 3.486 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.818 0.091 3.412 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -14.480 -0.942 3.413 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -14.372 1.285 3.380 1.00 0.00 N ATOM 1765 OXT ASN A 114 -11.152 -2.042 4.807 1.00 0.00 O ATOM 0 H ASN A 114 -9.783 0.484 5.327 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.602 0.737 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.912 0.883 2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.939 -0.858 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.388 1.375 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.786 2.120 3.380 1.00 0.00 H new