USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 116 TYR OH : rot -15:sc= 0.583 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.02 K(o=1.6,f=-7.1!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.677 X(o=1.1,f=0.73) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.406 USER MOD Set 3.1: A 98 SER OG : rot 180:sc= 0.268 USER MOD Set 3.2: A 126 GLN : amide:sc= 0.276 K(o=0.54,f=-1.1) USER MOD Single : A 84 SER OG : rot 36:sc= 0.0647 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.29 K(o=1.3,f=0) USER MOD Single : A 90 ASN : amide:sc=-0.00248 X(o=-0.0025,f=-0.47) USER MOD Single : A 92 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 96 SER OG : rot 39:sc= 1.29 USER MOD Single : A 100 SER OG : rot -58:sc= 1.13 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00993 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 165:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.83 K(o=0.83,f=-4.2!) USER MOD Single : A 134 LYS NZ :NH3+ 143:sc= 1.23 (180deg=0.72) USER MOD Single : A 137 SER OG : rot -150:sc= 0.0248 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 2.07 K(o=2.1,f=-4.1!) USER MOD Single : A 145 ASN : amide:sc= 0.848 K(o=0.85,f=-5.1!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-5.4!) USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= 1.05 K(o=1.1,f=-3.8!) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 2.417 4.426 1.426 1.00 0.00 N ATOM 2 CA SER A 84 2.314 4.313 -0.051 1.00 0.00 C ATOM 3 C SER A 84 1.329 3.198 -0.442 1.00 0.00 C ATOM 4 O SER A 84 1.342 2.122 0.165 1.00 0.00 O ATOM 5 CB SER A 84 3.706 4.095 -0.682 1.00 0.00 C ATOM 6 OG SER A 84 4.601 5.141 -0.314 1.00 0.00 O ATOM 0 HA SER A 84 1.921 5.251 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.110 3.135 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.615 4.054 -1.767 1.00 0.00 H new ATOM 0 HG SER A 84 4.413 5.424 0.605 1.00 0.00 H new ATOM 12 N SER A 85 0.485 3.441 -1.457 1.00 0.00 N ATOM 13 CA SER A 85 -0.643 2.563 -1.801 1.00 0.00 C ATOM 14 C SER A 85 -0.716 2.309 -3.316 1.00 0.00 C ATOM 15 O SER A 85 -1.798 2.153 -3.873 1.00 0.00 O ATOM 16 CB SER A 85 -1.944 3.131 -1.208 1.00 0.00 C ATOM 17 OG SER A 85 -1.763 3.546 0.145 1.00 0.00 O ATOM 0 H SER A 85 0.567 4.256 -2.065 1.00 0.00 H new ATOM 0 HA SER A 85 -0.489 1.581 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.280 3.977 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.728 2.375 -1.256 1.00 0.00 H new ATOM 0 HG SER A 85 -2.606 3.904 0.493 1.00 0.00 H new ATOM 23 N GLU A 86 0.455 2.267 -3.966 1.00 0.00 N ATOM 24 CA GLU A 86 0.753 1.847 -5.341 1.00 0.00 C ATOM 25 C GLU A 86 0.124 2.616 -6.516 1.00 0.00 C ATOM 26 O GLU A 86 0.836 2.865 -7.490 1.00 0.00 O ATOM 27 CB GLU A 86 0.525 0.325 -5.479 1.00 0.00 C ATOM 28 CG GLU A 86 1.524 -0.535 -4.690 1.00 0.00 C ATOM 29 CD GLU A 86 2.982 -0.308 -5.145 1.00 0.00 C ATOM 30 OE1 GLU A 86 3.370 -0.802 -6.232 1.00 0.00 O ATOM 31 OE2 GLU A 86 3.749 0.369 -4.416 1.00 0.00 O ATOM 0 H GLU A 86 1.308 2.558 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 86 1.801 2.122 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.485 0.088 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.583 0.054 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.438 -0.306 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.268 -1.588 -4.811 1.00 0.00 H new ATOM 38 N PHE A 87 -1.147 3.016 -6.450 1.00 0.00 N ATOM 39 CA PHE A 87 -1.823 3.924 -7.397 1.00 0.00 C ATOM 40 C PHE A 87 -1.779 3.515 -8.878 1.00 0.00 C ATOM 41 O PHE A 87 -1.887 4.364 -9.767 1.00 0.00 O ATOM 42 CB PHE A 87 -1.314 5.357 -7.173 1.00 0.00 C ATOM 43 CG PHE A 87 -1.042 5.707 -5.724 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.076 5.643 -4.776 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.251 6.090 -5.324 1.00 0.00 C ATOM 46 CE1 PHE A 87 -1.827 5.996 -3.442 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.499 6.452 -3.989 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.545 6.420 -3.052 1.00 0.00 C ATOM 0 H PHE A 87 -1.768 2.705 -5.703 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.887 3.858 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.397 5.497 -7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.049 6.057 -7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.063 5.322 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.055 6.106 -6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.622 5.942 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.490 6.754 -3.685 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.363 6.721 -2.031 1.00 0.00 H new ATOM 58 N GLN A 88 -1.605 2.220 -9.152 1.00 0.00 N ATOM 59 CA GLN A 88 -1.588 1.663 -10.501 1.00 0.00 C ATOM 60 C GLN A 88 -3.018 1.284 -10.934 1.00 0.00 C ATOM 61 O GLN A 88 -3.994 1.636 -10.266 1.00 0.00 O ATOM 62 CB GLN A 88 -0.590 0.479 -10.527 1.00 0.00 C ATOM 63 CG GLN A 88 0.871 0.965 -10.444 1.00 0.00 C ATOM 64 CD GLN A 88 1.763 0.026 -9.630 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.014 -1.117 -10.008 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.252 0.498 -8.495 1.00 0.00 N ATOM 0 H GLN A 88 -1.469 1.517 -8.425 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.244 2.396 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.799 -0.192 -9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.731 -0.096 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.275 1.060 -11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.894 1.959 -9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.031 1.449 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.850 -0.089 -7.914 1.00 0.00 H new ATOM 75 N ILE A 89 -3.167 0.627 -12.090 1.00 0.00 N ATOM 76 CA ILE A 89 -4.462 0.140 -12.577 1.00 0.00 C ATOM 77 C ILE A 89 -5.154 -0.667 -11.464 1.00 0.00 C ATOM 78 O ILE A 89 -4.509 -1.434 -10.744 1.00 0.00 O ATOM 79 CB ILE A 89 -4.293 -0.654 -13.898 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.638 0.252 -14.973 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.643 -1.206 -14.398 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.364 -0.434 -16.318 1.00 0.00 C ATOM 0 H ILE A 89 -2.390 0.418 -12.716 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.110 0.982 -12.820 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.643 -1.508 -13.707 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.285 1.112 -15.146 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.697 0.636 -14.579 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.490 -1.757 -15.326 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.065 -1.872 -13.645 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.330 -0.379 -14.577 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.906 0.279 -17.003 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.689 -1.276 -16.166 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.302 -0.793 -16.741 1.00 0.00 H new ATOM 94 N ASN A 90 -6.476 -0.500 -11.360 1.00 0.00 N ATOM 95 CA ASN A 90 -7.342 -1.076 -10.334 1.00 0.00 C ATOM 96 C ASN A 90 -6.988 -0.609 -8.908 1.00 0.00 C ATOM 97 O ASN A 90 -7.311 -1.306 -7.945 1.00 0.00 O ATOM 98 CB ASN A 90 -7.490 -2.610 -10.475 1.00 0.00 C ATOM 99 CG ASN A 90 -8.181 -3.029 -11.773 1.00 0.00 C ATOM 100 OD1 ASN A 90 -9.153 -2.414 -12.205 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.706 -4.081 -12.425 1.00 0.00 N ATOM 0 H ASN A 90 -6.996 0.072 -12.026 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.338 -0.673 -10.514 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.503 -3.070 -10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.058 -2.994 -9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.148 -4.386 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.899 -4.586 -12.059 1.00 0.00 H new ATOM 108 N GLU A 91 -6.363 0.566 -8.742 1.00 0.00 N ATOM 109 CA GLU A 91 -6.044 1.152 -7.437 1.00 0.00 C ATOM 110 C GLU A 91 -6.364 2.662 -7.442 1.00 0.00 C ATOM 111 O GLU A 91 -6.690 3.229 -8.486 1.00 0.00 O ATOM 112 CB GLU A 91 -4.573 0.817 -7.115 1.00 0.00 C ATOM 113 CG GLU A 91 -4.065 1.240 -5.742 1.00 0.00 C ATOM 114 CD GLU A 91 -4.936 0.700 -4.590 1.00 0.00 C ATOM 115 OE1 GLU A 91 -5.900 1.404 -4.205 1.00 0.00 O ATOM 116 OE2 GLU A 91 -4.668 -0.414 -4.076 1.00 0.00 O ATOM 0 H GLU A 91 -6.061 1.144 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.659 0.732 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.439 -0.260 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.943 1.285 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.042 0.887 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.036 2.328 -5.690 1.00 0.00 H new ATOM 123 N GLN A 92 -6.342 3.290 -6.263 1.00 0.00 N ATOM 124 CA GLN A 92 -6.780 4.657 -5.990 1.00 0.00 C ATOM 125 C GLN A 92 -5.949 5.723 -6.709 1.00 0.00 C ATOM 126 O GLN A 92 -4.727 5.628 -6.791 1.00 0.00 O ATOM 127 CB GLN A 92 -6.676 4.903 -4.470 1.00 0.00 C ATOM 128 CG GLN A 92 -7.848 4.276 -3.714 1.00 0.00 C ATOM 129 CD GLN A 92 -7.514 3.954 -2.259 1.00 0.00 C ATOM 130 OE1 GLN A 92 -7.738 4.752 -1.350 1.00 0.00 O ATOM 131 NE2 GLN A 92 -6.971 2.773 -2.014 1.00 0.00 N ATOM 0 H GLN A 92 -5.996 2.826 -5.423 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.802 4.747 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.739 4.488 -4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.650 5.975 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.699 4.957 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.154 3.361 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.793 2.125 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.731 2.511 -1.058 1.00 0.00 H new ATOM 140 N VAL A 93 -6.622 6.802 -7.102 1.00 0.00 N ATOM 141 CA VAL A 93 -6.089 8.055 -7.620 1.00 0.00 C ATOM 142 C VAL A 93 -7.052 9.174 -7.224 1.00 0.00 C ATOM 143 O VAL A 93 -8.209 8.914 -6.895 1.00 0.00 O ATOM 144 CB VAL A 93 -5.926 7.997 -9.155 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.598 7.322 -9.530 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.111 7.341 -9.880 1.00 0.00 C ATOM 0 H VAL A 93 -7.641 6.821 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.100 8.239 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.911 9.030 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.500 7.290 -10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.769 7.890 -9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.581 6.307 -9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.924 7.337 -10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.230 6.316 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.021 7.904 -9.673 1.00 0.00 H new ATOM 156 N LEU A 94 -6.577 10.415 -7.239 1.00 0.00 N ATOM 157 CA LEU A 94 -7.386 11.616 -7.113 1.00 0.00 C ATOM 158 C LEU A 94 -7.597 12.077 -8.543 1.00 0.00 C ATOM 159 O LEU A 94 -6.619 12.293 -9.261 1.00 0.00 O ATOM 160 CB LEU A 94 -6.638 12.691 -6.300 1.00 0.00 C ATOM 161 CG LEU A 94 -6.616 12.406 -4.790 1.00 0.00 C ATOM 162 CD1 LEU A 94 -5.590 13.308 -4.094 1.00 0.00 C ATOM 163 CD2 LEU A 94 -7.990 12.619 -4.141 1.00 0.00 C ATOM 0 H LEU A 94 -5.582 10.616 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.325 11.434 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.613 12.764 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.107 13.659 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.340 11.359 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.585 13.096 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.599 13.118 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.856 14.353 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.925 12.406 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.305 13.652 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.717 11.950 -4.601 1.00 0.00 H new ATOM 175 N ALA A 95 -8.850 12.211 -8.968 1.00 0.00 N ATOM 176 CA ALA A 95 -9.203 12.535 -10.341 1.00 0.00 C ATOM 177 C ALA A 95 -10.317 13.575 -10.336 1.00 0.00 C ATOM 178 O ALA A 95 -11.201 13.521 -9.481 1.00 0.00 O ATOM 179 CB ALA A 95 -9.673 11.261 -11.050 1.00 0.00 C ATOM 0 H ALA A 95 -9.658 12.095 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.339 12.939 -10.868 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.940 11.495 -12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.871 10.523 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.543 10.857 -10.533 1.00 0.00 H new ATOM 185 N SER A 96 -10.282 14.509 -11.284 1.00 0.00 N ATOM 186 CA SER A 96 -11.281 15.558 -11.412 1.00 0.00 C ATOM 187 C SER A 96 -12.603 14.929 -11.845 1.00 0.00 C ATOM 188 O SER A 96 -12.748 14.491 -12.990 1.00 0.00 O ATOM 189 CB SER A 96 -10.791 16.636 -12.383 1.00 0.00 C ATOM 190 OG SER A 96 -9.944 17.532 -11.686 1.00 0.00 O ATOM 0 H SER A 96 -9.549 14.556 -11.991 1.00 0.00 H new ATOM 0 HA SER A 96 -11.444 16.053 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.254 16.179 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.639 17.173 -12.809 1.00 0.00 H new ATOM 0 HG SER A 96 -9.381 17.030 -11.060 1.00 0.00 H new ATOM 196 N TRP A 97 -13.540 14.839 -10.899 1.00 0.00 N ATOM 197 CA TRP A 97 -14.894 14.404 -11.178 1.00 0.00 C ATOM 198 C TRP A 97 -15.592 15.473 -12.011 1.00 0.00 C ATOM 199 O TRP A 97 -15.222 16.654 -11.962 1.00 0.00 O ATOM 200 CB TRP A 97 -15.624 14.093 -9.876 1.00 0.00 C ATOM 201 CG TRP A 97 -16.879 13.276 -9.973 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.097 12.200 -10.762 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.117 13.459 -9.230 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.369 11.706 -10.539 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.034 12.423 -9.565 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.531 14.395 -8.274 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.278 12.292 -8.922 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.774 14.292 -7.625 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.636 13.222 -7.923 1.00 0.00 C ATOM 0 H TRP A 97 -13.373 15.068 -9.919 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.891 13.481 -11.757 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -14.931 13.571 -9.216 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.872 15.038 -9.394 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.385 11.788 -11.461 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -18.768 10.908 -11.034 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.877 15.219 -8.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -20.950 11.490 -9.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -20.067 15.035 -6.898 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.569 13.112 -7.389 1.00 0.00 H new ATOM 220 N SER A 98 -16.636 15.058 -12.730 1.00 0.00 N ATOM 221 CA SER A 98 -17.422 15.914 -13.612 1.00 0.00 C ATOM 222 C SER A 98 -18.060 17.103 -12.867 1.00 0.00 C ATOM 223 O SER A 98 -18.469 18.076 -13.506 1.00 0.00 O ATOM 224 CB SER A 98 -18.472 15.046 -14.315 1.00 0.00 C ATOM 225 OG SER A 98 -17.875 13.846 -14.814 1.00 0.00 O ATOM 0 H SER A 98 -16.964 14.092 -12.713 1.00 0.00 H new ATOM 0 HA SER A 98 -16.762 16.364 -14.354 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.273 14.799 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.923 15.604 -15.136 1.00 0.00 H new ATOM 0 HG SER A 98 -18.558 13.301 -15.259 1.00 0.00 H new ATOM 231 N ASP A 99 -18.122 17.043 -11.530 1.00 0.00 N ATOM 232 CA ASP A 99 -18.490 18.153 -10.655 1.00 0.00 C ATOM 233 C ASP A 99 -17.657 19.411 -10.948 1.00 0.00 C ATOM 234 O ASP A 99 -18.247 20.448 -11.263 1.00 0.00 O ATOM 235 CB ASP A 99 -18.302 17.735 -9.196 1.00 0.00 C ATOM 236 CG ASP A 99 -18.241 18.964 -8.279 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.304 19.441 -7.815 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.112 19.451 -8.033 1.00 0.00 O ATOM 0 H ASP A 99 -17.909 16.189 -11.015 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.535 18.398 -10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.124 17.088 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.385 17.155 -9.095 1.00 0.00 H new ATOM 243 N SER A 100 -16.317 19.315 -10.862 1.00 0.00 N ATOM 244 CA SER A 100 -15.352 20.403 -11.055 1.00 0.00 C ATOM 245 C SER A 100 -13.913 20.040 -10.656 1.00 0.00 C ATOM 246 O SER A 100 -12.979 20.480 -11.334 1.00 0.00 O ATOM 247 CB SER A 100 -15.756 21.728 -10.370 1.00 0.00 C ATOM 248 OG SER A 100 -16.016 21.622 -8.981 1.00 0.00 O ATOM 0 H SER A 100 -15.859 18.430 -10.645 1.00 0.00 H new ATOM 0 HA SER A 100 -15.374 20.559 -12.134 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.960 22.457 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.646 22.120 -10.863 1.00 0.00 H new ATOM 0 HG SER A 100 -16.726 20.964 -8.830 1.00 0.00 H new ATOM 254 N ARG A 101 -13.703 19.271 -9.575 1.00 0.00 N ATOM 255 CA ARG A 101 -12.364 19.056 -9.001 1.00 0.00 C ATOM 256 C ARG A 101 -12.170 17.643 -8.469 1.00 0.00 C ATOM 257 O ARG A 101 -13.004 16.774 -8.723 1.00 0.00 O ATOM 258 CB ARG A 101 -12.022 20.146 -7.962 1.00 0.00 C ATOM 259 CG ARG A 101 -12.656 20.029 -6.558 1.00 0.00 C ATOM 260 CD ARG A 101 -14.184 20.154 -6.518 1.00 0.00 C ATOM 261 NE ARG A 101 -14.632 20.396 -5.129 1.00 0.00 N ATOM 262 CZ ARG A 101 -15.881 20.656 -4.719 1.00 0.00 C ATOM 263 NH1 ARG A 101 -16.912 20.566 -5.548 1.00 0.00 N ATOM 264 NH2 ARG A 101 -16.091 21.014 -3.454 1.00 0.00 N ATOM 0 H ARG A 101 -14.449 18.785 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.644 19.154 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.939 20.164 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.311 21.110 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.375 19.067 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.228 20.801 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.508 20.972 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.643 19.244 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.913 20.361 -4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.763 20.294 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.854 20.769 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.305 21.088 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.038 21.214 -3.131 1.00 0.00 H new ATOM 278 N PHE A 102 -11.034 17.398 -7.810 1.00 0.00 N ATOM 279 CA PHE A 102 -10.597 16.074 -7.405 1.00 0.00 C ATOM 280 C PHE A 102 -11.524 15.417 -6.383 1.00 0.00 C ATOM 281 O PHE A 102 -11.974 16.056 -5.438 1.00 0.00 O ATOM 282 CB PHE A 102 -9.159 16.142 -6.847 1.00 0.00 C ATOM 283 CG PHE A 102 -8.089 16.651 -7.806 1.00 0.00 C ATOM 284 CD1 PHE A 102 -8.242 16.496 -9.194 1.00 0.00 C ATOM 285 CD2 PHE A 102 -6.929 17.291 -7.321 1.00 0.00 C ATOM 286 CE1 PHE A 102 -7.281 16.978 -10.085 1.00 0.00 C ATOM 287 CE2 PHE A 102 -5.944 17.756 -8.219 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.118 17.583 -9.605 1.00 0.00 C ATOM 0 H PHE A 102 -10.384 18.136 -7.541 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.625 15.449 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.163 16.784 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.873 15.144 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.118 15.995 -9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.794 17.426 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.438 16.882 -11.149 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.057 18.244 -7.843 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.356 17.917 -10.294 1.00 0.00 H new ATOM 298 N TYR A 103 -11.714 14.111 -6.559 1.00 0.00 N ATOM 299 CA TYR A 103 -12.347 13.149 -5.658 1.00 0.00 C ATOM 300 C TYR A 103 -11.522 11.862 -5.818 1.00 0.00 C ATOM 301 O TYR A 103 -10.824 11.723 -6.830 1.00 0.00 O ATOM 302 CB TYR A 103 -13.807 12.873 -6.061 1.00 0.00 C ATOM 303 CG TYR A 103 -14.804 13.998 -5.860 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.866 15.029 -6.805 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.674 14.020 -4.752 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.815 16.052 -6.697 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.660 15.020 -4.652 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.732 16.048 -5.622 1.00 0.00 C ATOM 309 OH TYR A 103 -17.673 17.030 -5.527 1.00 0.00 O ATOM 0 H TYR A 103 -11.399 13.657 -7.416 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.369 13.523 -4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.820 12.594 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.156 12.007 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.170 15.035 -7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.585 13.270 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.846 16.842 -7.433 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.363 15.003 -3.833 1.00 0.00 H new ATOM 0 HH TYR A 103 -18.224 16.879 -4.731 1.00 0.00 H new ATOM 319 N PRO A 104 -11.583 10.898 -4.882 1.00 0.00 N ATOM 320 CA PRO A 104 -10.937 9.609 -5.096 1.00 0.00 C ATOM 321 C PRO A 104 -11.680 8.817 -6.188 1.00 0.00 C ATOM 322 O PRO A 104 -12.905 8.909 -6.323 1.00 0.00 O ATOM 323 CB PRO A 104 -10.930 8.940 -3.716 1.00 0.00 C ATOM 324 CG PRO A 104 -12.174 9.512 -3.035 1.00 0.00 C ATOM 325 CD PRO A 104 -12.244 10.942 -3.578 1.00 0.00 C ATOM 0 HA PRO A 104 -9.916 9.682 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.980 7.854 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.023 9.177 -3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.068 8.942 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.081 9.498 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.277 11.275 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.744 11.641 -2.908 1.00 0.00 H new ATOM 333 N ALA A 105 -10.928 8.033 -6.957 1.00 0.00 N ATOM 334 CA ALA A 105 -11.381 7.206 -8.068 1.00 0.00 C ATOM 335 C ALA A 105 -10.408 6.038 -8.230 1.00 0.00 C ATOM 336 O ALA A 105 -9.300 6.067 -7.697 1.00 0.00 O ATOM 337 CB ALA A 105 -11.402 8.045 -9.351 1.00 0.00 C ATOM 0 H ALA A 105 -9.922 7.955 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.385 6.829 -7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.741 7.428 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.082 8.888 -9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.399 8.416 -9.559 1.00 0.00 H new ATOM 343 N LYS A 106 -10.799 5.020 -8.994 1.00 0.00 N ATOM 344 CA LYS A 106 -9.984 3.848 -9.295 1.00 0.00 C ATOM 345 C LYS A 106 -9.429 4.013 -10.711 1.00 0.00 C ATOM 346 O LYS A 106 -10.177 4.359 -11.621 1.00 0.00 O ATOM 347 CB LYS A 106 -10.889 2.610 -9.125 1.00 0.00 C ATOM 348 CG LYS A 106 -10.184 1.281 -9.451 1.00 0.00 C ATOM 349 CD LYS A 106 -10.843 0.061 -8.781 1.00 0.00 C ATOM 350 CE LYS A 106 -12.290 -0.183 -9.242 1.00 0.00 C ATOM 351 NZ LYS A 106 -12.882 -1.388 -8.593 1.00 0.00 N ATOM 0 H LYS A 106 -11.719 4.988 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.129 3.729 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.254 2.576 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.761 2.717 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.180 1.135 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.143 1.343 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.247 -0.827 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.833 0.200 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.898 0.691 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.311 -0.306 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.857 -1.519 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.316 -2.226 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.886 -1.260 -7.561 1.00 0.00 H new ATOM 365 N VAL A 107 -8.133 3.790 -10.917 1.00 0.00 N ATOM 366 CA VAL A 107 -7.527 3.800 -12.250 1.00 0.00 C ATOM 367 C VAL A 107 -8.092 2.638 -13.055 1.00 0.00 C ATOM 368 O VAL A 107 -8.168 1.520 -12.540 1.00 0.00 O ATOM 369 CB VAL A 107 -5.998 3.631 -12.143 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.301 3.612 -13.511 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.340 4.745 -11.339 1.00 0.00 C ATOM 0 H VAL A 107 -7.471 3.597 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.750 4.749 -12.737 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.876 2.671 -11.642 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.227 3.491 -13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.685 2.782 -14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.495 4.550 -14.031 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.264 4.576 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.538 5.704 -11.817 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.747 4.753 -10.328 1.00 0.00 H new ATOM 381 N THR A 108 -8.371 2.867 -14.335 1.00 0.00 N ATOM 382 CA THR A 108 -8.705 1.808 -15.276 1.00 0.00 C ATOM 383 C THR A 108 -7.602 1.712 -16.345 1.00 0.00 C ATOM 384 O THR A 108 -7.281 0.600 -16.770 1.00 0.00 O ATOM 385 CB THR A 108 -10.130 2.037 -15.805 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.269 3.359 -16.290 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.162 1.866 -14.685 1.00 0.00 C ATOM 0 H THR A 108 -8.371 3.799 -14.749 1.00 0.00 H new ATOM 0 HA THR A 108 -8.728 0.826 -14.803 1.00 0.00 H new ATOM 0 HB THR A 108 -10.298 1.308 -16.598 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.181 3.490 -16.625 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.163 2.033 -15.084 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.096 0.856 -14.281 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.962 2.587 -13.893 1.00 0.00 H new ATOM 395 N ALA A 109 -6.966 2.826 -16.744 1.00 0.00 N ATOM 396 CA ALA A 109 -5.757 2.833 -17.574 1.00 0.00 C ATOM 397 C ALA A 109 -4.933 4.089 -17.301 1.00 0.00 C ATOM 398 O ALA A 109 -5.465 5.100 -16.844 1.00 0.00 O ATOM 399 CB ALA A 109 -6.121 2.716 -19.064 1.00 0.00 C ATOM 0 H ALA A 109 -7.286 3.761 -16.493 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.149 1.967 -17.313 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.210 2.723 -19.663 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.660 1.784 -19.235 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.751 3.558 -19.352 1.00 0.00 H new ATOM 405 N VAL A 110 -3.651 4.050 -17.655 1.00 0.00 N ATOM 406 CA VAL A 110 -2.745 5.191 -17.671 1.00 0.00 C ATOM 407 C VAL A 110 -2.018 5.124 -19.021 1.00 0.00 C ATOM 408 O VAL A 110 -1.747 4.026 -19.520 1.00 0.00 O ATOM 409 CB VAL A 110 -1.771 5.083 -16.480 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.841 6.301 -16.382 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.519 4.933 -15.152 1.00 0.00 C ATOM 0 H VAL A 110 -3.198 3.185 -17.951 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.260 6.146 -17.568 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.172 4.191 -16.665 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.173 6.181 -15.529 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.252 6.383 -17.295 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.437 7.204 -16.252 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.800 4.860 -14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.159 5.801 -14.995 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.131 4.031 -15.179 1.00 0.00 H new ATOM 421 N ASN A 111 -1.703 6.281 -19.613 1.00 0.00 N ATOM 422 CA ASN A 111 -1.198 6.384 -20.982 1.00 0.00 C ATOM 423 C ASN A 111 0.025 7.295 -20.955 1.00 0.00 C ATOM 424 O ASN A 111 -0.089 8.466 -20.593 1.00 0.00 O ATOM 425 CB ASN A 111 -2.257 6.991 -21.920 1.00 0.00 C ATOM 426 CG ASN A 111 -3.579 6.227 -22.017 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.614 4.999 -22.031 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.697 6.938 -22.086 1.00 0.00 N ATOM 0 H ASN A 111 -1.794 7.183 -19.146 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.948 5.390 -21.353 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.470 8.007 -21.587 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.829 7.066 -22.920 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.599 6.466 -22.152 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.655 7.957 -22.073 1.00 0.00 H new ATOM 435 N LYS A 112 1.188 6.781 -21.373 1.00 0.00 N ATOM 436 CA LYS A 112 2.468 7.500 -21.326 1.00 0.00 C ATOM 437 C LYS A 112 2.449 8.802 -22.138 1.00 0.00 C ATOM 438 O LYS A 112 3.217 9.715 -21.841 1.00 0.00 O ATOM 439 CB LYS A 112 3.584 6.541 -21.792 1.00 0.00 C ATOM 440 CG LYS A 112 5.031 7.046 -21.627 1.00 0.00 C ATOM 441 CD LYS A 112 5.415 7.335 -20.164 1.00 0.00 C ATOM 442 CE LYS A 112 6.871 7.811 -20.010 1.00 0.00 C ATOM 443 NZ LYS A 112 7.879 6.760 -20.320 1.00 0.00 N ATOM 0 H LYS A 112 1.268 5.840 -21.759 1.00 0.00 H new ATOM 0 HA LYS A 112 2.659 7.812 -20.299 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.483 5.606 -21.242 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.420 6.311 -22.845 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.716 6.303 -22.035 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.160 7.955 -22.215 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.745 8.095 -19.761 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.268 6.433 -19.570 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.036 8.665 -20.666 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.024 8.159 -18.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.836 7.149 -20.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.747 5.953 -19.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.759 6.443 -21.303 1.00 0.00 H new ATOM 457 N ASP A 113 1.554 8.905 -23.127 1.00 0.00 N ATOM 458 CA ASP A 113 1.326 10.130 -23.900 1.00 0.00 C ATOM 459 C ASP A 113 0.981 11.330 -23.006 1.00 0.00 C ATOM 460 O ASP A 113 1.336 12.465 -23.337 1.00 0.00 O ATOM 461 CB ASP A 113 0.203 9.897 -24.913 1.00 0.00 C ATOM 462 CG ASP A 113 -0.046 11.154 -25.765 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.803 11.472 -26.633 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.089 11.827 -25.576 1.00 0.00 O ATOM 0 H ASP A 113 0.960 8.128 -23.417 1.00 0.00 H new ATOM 0 HA ASP A 113 2.255 10.369 -24.418 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.462 9.060 -25.562 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.712 9.622 -24.389 1.00 0.00 H new ATOM 469 N GLY A 114 0.334 11.086 -21.858 1.00 0.00 N ATOM 470 CA GLY A 114 0.037 12.096 -20.846 1.00 0.00 C ATOM 471 C GLY A 114 -1.415 12.058 -20.375 1.00 0.00 C ATOM 472 O GLY A 114 -1.935 13.090 -19.939 1.00 0.00 O ATOM 0 H GLY A 114 -0.003 10.157 -21.606 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.695 11.949 -19.990 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.256 13.084 -21.251 1.00 0.00 H new ATOM 476 N THR A 115 -2.097 10.915 -20.487 1.00 0.00 N ATOM 477 CA THR A 115 -3.526 10.813 -20.218 1.00 0.00 C ATOM 478 C THR A 115 -3.809 9.631 -19.286 1.00 0.00 C ATOM 479 O THR A 115 -2.931 8.825 -18.965 1.00 0.00 O ATOM 480 CB THR A 115 -4.330 10.823 -21.538 1.00 0.00 C ATOM 481 OG1 THR A 115 -3.953 9.751 -22.380 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.119 12.116 -22.334 1.00 0.00 C ATOM 0 H THR A 115 -1.668 10.033 -20.768 1.00 0.00 H new ATOM 0 HA THR A 115 -3.874 11.692 -19.675 1.00 0.00 H new ATOM 0 HB THR A 115 -5.376 10.734 -21.243 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.480 9.783 -23.206 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.704 12.077 -23.253 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.440 12.968 -21.735 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.063 12.223 -22.580 1.00 0.00 H new ATOM 490 N TYR A 116 -5.049 9.562 -18.814 1.00 0.00 N ATOM 491 CA TYR A 116 -5.529 8.693 -17.763 1.00 0.00 C ATOM 492 C TYR A 116 -6.928 8.231 -18.130 1.00 0.00 C ATOM 493 O TYR A 116 -7.644 8.937 -18.837 1.00 0.00 O ATOM 494 CB TYR A 116 -5.626 9.525 -16.470 1.00 0.00 C ATOM 495 CG TYR A 116 -4.490 9.287 -15.495 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.589 8.242 -14.560 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.341 10.104 -15.515 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.571 8.041 -13.612 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.326 9.913 -14.562 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.442 8.889 -13.598 1.00 0.00 C ATOM 501 OH TYR A 116 -1.465 8.730 -12.662 1.00 0.00 O ATOM 0 H TYR A 116 -5.791 10.155 -19.186 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.864 7.840 -17.631 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.650 10.583 -16.732 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.570 9.298 -15.974 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.451 7.591 -14.570 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.241 10.877 -16.263 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.652 7.238 -12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.455 10.552 -14.567 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.796 8.159 -11.938 1.00 0.00 H new ATOM 511 N THR A 117 -7.345 7.098 -17.579 1.00 0.00 N ATOM 512 CA THR A 117 -8.716 6.632 -17.637 1.00 0.00 C ATOM 513 C THR A 117 -9.024 6.165 -16.220 1.00 0.00 C ATOM 514 O THR A 117 -8.197 5.492 -15.594 1.00 0.00 O ATOM 515 CB THR A 117 -8.892 5.520 -18.686 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.150 5.796 -19.868 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.361 5.380 -19.096 1.00 0.00 C ATOM 0 H THR A 117 -6.724 6.468 -17.071 1.00 0.00 H new ATOM 0 HA THR A 117 -9.409 7.411 -17.955 1.00 0.00 H new ATOM 0 HB THR A 117 -8.532 4.602 -18.222 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.282 5.071 -20.514 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.458 4.588 -19.838 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.961 5.132 -18.220 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.711 6.320 -19.522 1.00 0.00 H new ATOM 525 N VAL A 118 -10.166 6.575 -15.684 1.00 0.00 N ATOM 526 CA VAL A 118 -10.527 6.297 -14.303 1.00 0.00 C ATOM 527 C VAL A 118 -11.995 5.903 -14.250 1.00 0.00 C ATOM 528 O VAL A 118 -12.786 6.295 -15.113 1.00 0.00 O ATOM 529 CB VAL A 118 -10.227 7.513 -13.402 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.722 7.824 -13.317 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.964 8.787 -13.854 1.00 0.00 C ATOM 0 H VAL A 118 -10.868 7.110 -16.196 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.927 5.470 -13.923 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.592 7.224 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.565 8.688 -12.671 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.195 6.963 -12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.339 8.042 -14.314 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.715 9.609 -13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.660 9.042 -14.869 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.040 8.613 -13.830 1.00 0.00 H new ATOM 541 N LYS A 119 -12.354 5.175 -13.196 1.00 0.00 N ATOM 542 CA LYS A 119 -13.713 4.842 -12.815 1.00 0.00 C ATOM 543 C LYS A 119 -13.924 5.440 -11.435 1.00 0.00 C ATOM 544 O LYS A 119 -13.190 5.120 -10.501 1.00 0.00 O ATOM 545 CB LYS A 119 -13.870 3.315 -12.832 1.00 0.00 C ATOM 546 CG LYS A 119 -15.232 2.852 -12.288 1.00 0.00 C ATOM 547 CD LYS A 119 -15.445 1.359 -12.583 1.00 0.00 C ATOM 548 CE LYS A 119 -16.845 0.919 -12.122 1.00 0.00 C ATOM 549 NZ LYS A 119 -17.135 -0.504 -12.460 1.00 0.00 N ATOM 0 H LYS A 119 -11.664 4.784 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.462 5.242 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.749 2.953 -13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.074 2.865 -12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.281 3.028 -11.213 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.031 3.437 -12.743 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.331 1.172 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.684 0.768 -12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.930 1.058 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.595 1.560 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.089 -0.752 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.081 -0.634 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.437 -1.120 -11.997 1.00 0.00 H new ATOM 563 N PHE A 120 -14.895 6.328 -11.308 1.00 0.00 N ATOM 564 CA PHE A 120 -15.341 6.839 -10.022 1.00 0.00 C ATOM 565 C PHE A 120 -16.253 5.774 -9.414 1.00 0.00 C ATOM 566 O PHE A 120 -16.977 5.103 -10.148 1.00 0.00 O ATOM 567 CB PHE A 120 -16.064 8.169 -10.258 1.00 0.00 C ATOM 568 CG PHE A 120 -15.112 9.258 -10.724 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.429 10.044 -9.776 1.00 0.00 C ATOM 570 CD2 PHE A 120 -14.898 9.485 -12.098 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.543 11.049 -10.196 1.00 0.00 C ATOM 572 CE2 PHE A 120 -13.997 10.481 -12.513 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.320 11.263 -11.564 1.00 0.00 C ATOM 0 H PHE A 120 -15.401 6.719 -12.102 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.520 7.033 -9.332 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.847 8.029 -11.003 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.553 8.485 -9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.587 9.873 -8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -15.426 8.894 -12.832 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.033 11.658 -9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.825 10.645 -13.566 1.00 0.00 H new ATOM 0 HZ PHE A 120 -12.629 12.028 -11.887 1.00 0.00 H new ATOM 583 N TYR A 121 -16.236 5.615 -8.087 1.00 0.00 N ATOM 584 CA TYR A 121 -16.927 4.507 -7.418 1.00 0.00 C ATOM 585 C TYR A 121 -18.447 4.564 -7.615 1.00 0.00 C ATOM 586 O TYR A 121 -19.115 3.530 -7.558 1.00 0.00 O ATOM 587 CB TYR A 121 -16.582 4.485 -5.921 1.00 0.00 C ATOM 588 CG TYR A 121 -15.098 4.579 -5.619 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.248 3.466 -5.790 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.563 5.796 -5.163 1.00 0.00 C ATOM 591 CE1 TYR A 121 -12.865 3.581 -5.536 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.187 5.914 -4.918 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.329 4.817 -5.121 1.00 0.00 C ATOM 594 OH TYR A 121 -10.992 4.964 -4.913 1.00 0.00 O ATOM 0 H TYR A 121 -15.747 6.245 -7.450 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.577 3.584 -7.880 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.094 5.313 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -16.972 3.566 -5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.658 2.522 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.213 6.643 -5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.219 2.724 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -12.783 6.854 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.771 5.918 -4.867 1.00 0.00 H new ATOM 604 N ASP A 122 -18.997 5.760 -7.867 1.00 0.00 N ATOM 605 CA ASP A 122 -20.415 5.950 -8.194 1.00 0.00 C ATOM 606 C ASP A 122 -20.810 5.234 -9.496 1.00 0.00 C ATOM 607 O ASP A 122 -21.967 4.829 -9.646 1.00 0.00 O ATOM 608 CB ASP A 122 -20.724 7.447 -8.289 1.00 0.00 C ATOM 609 CG ASP A 122 -22.200 7.689 -8.650 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.080 7.473 -7.781 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.486 8.099 -9.801 1.00 0.00 O ATOM 0 H ASP A 122 -18.464 6.630 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.007 5.504 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.496 7.929 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.083 7.906 -9.041 1.00 0.00 H new ATOM 616 N GLY A 123 -19.854 5.027 -10.412 1.00 0.00 N ATOM 617 CA GLY A 123 -20.006 4.202 -11.609 1.00 0.00 C ATOM 618 C GLY A 123 -19.547 4.903 -12.891 1.00 0.00 C ATOM 619 O GLY A 123 -19.380 4.236 -13.914 1.00 0.00 O ATOM 0 H GLY A 123 -18.926 5.444 -10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.436 3.282 -11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.053 3.916 -11.714 1.00 0.00 H new ATOM 623 N VAL A 124 -19.359 6.228 -12.864 1.00 0.00 N ATOM 624 CA VAL A 124 -18.922 7.010 -14.023 1.00 0.00 C ATOM 625 C VAL A 124 -17.500 6.583 -14.416 1.00 0.00 C ATOM 626 O VAL A 124 -16.662 6.328 -13.546 1.00 0.00 O ATOM 627 CB VAL A 124 -19.021 8.523 -13.699 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.641 9.414 -14.893 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.446 8.915 -13.263 1.00 0.00 C ATOM 0 H VAL A 124 -19.508 6.792 -12.027 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.570 6.821 -14.879 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.312 8.687 -12.887 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.729 10.462 -14.607 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.614 9.204 -15.191 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.310 9.208 -15.728 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.479 9.982 -13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.148 8.688 -14.066 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.721 8.353 -12.371 1.00 0.00 H new ATOM 639 N VAL A 125 -17.207 6.563 -15.719 1.00 0.00 N ATOM 640 CA VAL A 125 -15.893 6.251 -16.281 1.00 0.00 C ATOM 641 C VAL A 125 -15.590 7.340 -17.317 1.00 0.00 C ATOM 642 O VAL A 125 -16.493 7.738 -18.057 1.00 0.00 O ATOM 643 CB VAL A 125 -15.913 4.840 -16.913 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.543 4.428 -17.480 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.345 3.751 -15.919 1.00 0.00 C ATOM 0 H VAL A 125 -17.903 6.771 -16.435 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.115 6.239 -15.518 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.643 4.915 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.613 3.430 -17.912 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.241 5.136 -18.251 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.804 4.426 -16.679 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.341 2.781 -16.417 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.652 3.730 -15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.349 3.968 -15.556 1.00 0.00 H new ATOM 655 N GLN A 126 -14.344 7.828 -17.377 1.00 0.00 N ATOM 656 CA GLN A 126 -13.921 8.813 -18.375 1.00 0.00 C ATOM 657 C GLN A 126 -12.413 8.758 -18.619 1.00 0.00 C ATOM 658 O GLN A 126 -11.652 8.354 -17.732 1.00 0.00 O ATOM 659 CB GLN A 126 -14.355 10.234 -17.947 1.00 0.00 C ATOM 660 CG GLN A 126 -13.770 10.744 -16.616 1.00 0.00 C ATOM 661 CD GLN A 126 -14.446 12.065 -16.217 1.00 0.00 C ATOM 662 OE1 GLN A 126 -13.971 13.149 -16.537 1.00 0.00 O ATOM 663 NE2 GLN A 126 -15.574 12.004 -15.518 1.00 0.00 N ATOM 0 H GLN A 126 -13.603 7.550 -16.734 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.412 8.565 -19.316 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -14.074 10.932 -18.736 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.442 10.255 -17.875 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.919 9.999 -15.834 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.695 10.892 -16.715 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -15.963 11.098 -15.256 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -16.051 12.863 -15.244 1.00 0.00 H new ATOM 672 N THR A 127 -11.991 9.214 -19.800 1.00 0.00 N ATOM 673 CA THR A 127 -10.593 9.451 -20.141 1.00 0.00 C ATOM 674 C THR A 127 -10.329 10.938 -19.876 1.00 0.00 C ATOM 675 O THR A 127 -11.180 11.786 -20.168 1.00 0.00 O ATOM 676 CB THR A 127 -10.312 9.069 -21.609 1.00 0.00 C ATOM 677 OG1 THR A 127 -10.988 7.864 -21.949 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.815 8.895 -21.881 1.00 0.00 C ATOM 0 H THR A 127 -12.631 9.433 -20.563 1.00 0.00 H new ATOM 0 HA THR A 127 -9.926 8.833 -19.540 1.00 0.00 H new ATOM 0 HB THR A 127 -10.681 9.889 -22.225 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.801 7.636 -22.884 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.664 8.626 -22.927 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.295 9.829 -21.668 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.419 8.105 -21.243 1.00 0.00 H new ATOM 686 N VAL A 128 -9.168 11.261 -19.311 1.00 0.00 N ATOM 687 CA VAL A 128 -8.806 12.577 -18.785 1.00 0.00 C ATOM 688 C VAL A 128 -7.287 12.760 -18.920 1.00 0.00 C ATOM 689 O VAL A 128 -6.581 11.826 -19.301 1.00 0.00 O ATOM 690 CB VAL A 128 -9.302 12.713 -17.320 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.716 13.296 -17.247 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.268 11.398 -16.511 1.00 0.00 C ATOM 0 H VAL A 128 -8.417 10.580 -19.202 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.290 13.371 -19.354 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.588 13.398 -16.863 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.024 13.374 -16.204 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.725 14.286 -17.703 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.407 12.644 -17.781 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.631 11.583 -15.500 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.904 10.657 -16.995 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.245 11.024 -16.467 1.00 0.00 H new ATOM 702 N LYS A 129 -6.761 13.951 -18.637 1.00 0.00 N ATOM 703 CA LYS A 129 -5.339 14.268 -18.815 1.00 0.00 C ATOM 704 C LYS A 129 -4.588 14.126 -17.493 1.00 0.00 C ATOM 705 O LYS A 129 -5.199 14.077 -16.429 1.00 0.00 O ATOM 706 CB LYS A 129 -5.214 15.693 -19.388 1.00 0.00 C ATOM 707 CG LYS A 129 -5.818 15.781 -20.800 1.00 0.00 C ATOM 708 CD LYS A 129 -5.621 17.184 -21.400 1.00 0.00 C ATOM 709 CE LYS A 129 -5.998 17.267 -22.890 1.00 0.00 C ATOM 710 NZ LYS A 129 -7.462 17.148 -23.146 1.00 0.00 N ATOM 0 H LYS A 129 -7.311 14.730 -18.275 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.888 13.566 -19.516 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.720 16.398 -18.729 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.164 15.984 -19.420 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.351 15.037 -21.446 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.881 15.545 -20.759 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.223 17.899 -20.840 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.579 17.480 -21.279 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.644 18.216 -23.293 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.478 16.477 -23.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.642 17.212 -24.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.803 16.232 -22.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -7.964 17.917 -22.657 1.00 0.00 H new ATOM 724 N HIS A 130 -3.254 14.140 -17.542 1.00 0.00 N ATOM 725 CA HIS A 130 -2.405 14.223 -16.348 1.00 0.00 C ATOM 726 C HIS A 130 -2.754 15.459 -15.508 1.00 0.00 C ATOM 727 O HIS A 130 -2.814 15.367 -14.285 1.00 0.00 O ATOM 728 CB HIS A 130 -0.927 14.213 -16.776 1.00 0.00 C ATOM 729 CG HIS A 130 0.077 14.543 -15.691 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.251 15.274 -15.898 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.005 14.191 -14.372 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.854 15.354 -14.699 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.125 14.720 -13.764 1.00 0.00 N ATOM 0 H HIS A 130 -2.728 14.094 -18.415 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.585 13.356 -15.712 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.691 13.227 -17.175 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.800 14.925 -17.591 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.775 13.613 -13.899 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.792 15.857 -14.513 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.360 14.643 -12.774 1.00 0.00 H new ATOM 741 N ILE A 131 -3.096 16.593 -16.133 1.00 0.00 N ATOM 742 CA ILE A 131 -3.536 17.787 -15.396 1.00 0.00 C ATOM 743 C ILE A 131 -4.853 17.583 -14.626 1.00 0.00 C ATOM 744 O ILE A 131 -5.238 18.459 -13.849 1.00 0.00 O ATOM 745 CB ILE A 131 -3.608 19.024 -16.319 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.535 18.817 -17.534 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.185 19.403 -16.750 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.886 20.120 -18.262 1.00 0.00 C ATOM 0 H ILE A 131 -3.077 16.710 -17.146 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.773 17.969 -14.639 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.053 19.845 -15.757 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.055 18.135 -18.236 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.455 18.336 -17.202 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.223 20.275 -17.402 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.587 19.635 -15.868 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.733 18.569 -17.286 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.540 19.901 -19.106 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.395 20.795 -17.574 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.973 20.592 -18.625 1.00 0.00 H new ATOM 760 N HIS A 132 -5.542 16.449 -14.807 1.00 0.00 N ATOM 761 CA HIS A 132 -6.813 16.148 -14.161 1.00 0.00 C ATOM 762 C HIS A 132 -6.704 14.983 -13.169 1.00 0.00 C ATOM 763 O HIS A 132 -7.688 14.714 -12.482 1.00 0.00 O ATOM 764 CB HIS A 132 -7.852 15.758 -15.224 1.00 0.00 C ATOM 765 CG HIS A 132 -8.073 16.735 -16.348 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.291 16.368 -17.676 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.095 18.095 -16.245 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.450 17.522 -18.345 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.337 18.571 -17.513 1.00 0.00 N ATOM 0 H HIS A 132 -5.218 15.702 -15.422 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.110 17.045 -13.618 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.553 14.804 -15.657 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.806 15.595 -14.723 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.951 18.680 -15.349 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.642 17.596 -19.405 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.417 19.553 -17.777 1.00 0.00 H new ATOM 777 N VAL A 133 -5.582 14.252 -13.116 1.00 0.00 N ATOM 778 CA VAL A 133 -5.438 13.047 -12.288 1.00 0.00 C ATOM 779 C VAL A 133 -4.037 12.947 -11.674 1.00 0.00 C ATOM 780 O VAL A 133 -3.034 13.220 -12.331 1.00 0.00 O ATOM 781 CB VAL A 133 -5.764 11.774 -13.106 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.838 10.534 -12.202 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.099 11.877 -13.860 1.00 0.00 C ATOM 0 H VAL A 133 -4.744 14.482 -13.650 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.154 13.127 -11.470 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.951 11.679 -13.826 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.069 9.657 -12.806 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.880 10.390 -11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.618 10.675 -11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.275 10.956 -14.416 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.909 12.031 -13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.062 12.717 -14.553 1.00 0.00 H new ATOM 793 N LYS A 134 -3.958 12.475 -10.428 1.00 0.00 N ATOM 794 CA LYS A 134 -2.719 12.110 -9.742 1.00 0.00 C ATOM 795 C LYS A 134 -3.003 10.939 -8.797 1.00 0.00 C ATOM 796 O LYS A 134 -4.157 10.568 -8.614 1.00 0.00 O ATOM 797 CB LYS A 134 -2.112 13.346 -9.043 1.00 0.00 C ATOM 798 CG LYS A 134 -3.039 14.029 -8.020 1.00 0.00 C ATOM 799 CD LYS A 134 -2.384 15.297 -7.448 1.00 0.00 C ATOM 800 CE LYS A 134 -3.325 15.946 -6.420 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.806 17.252 -5.907 1.00 0.00 N ATOM 0 H LYS A 134 -4.786 12.332 -9.849 1.00 0.00 H new ATOM 0 HA LYS A 134 -1.963 11.773 -10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.194 13.046 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.833 14.076 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.985 14.286 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.267 13.336 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.433 15.047 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.167 16.000 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.303 16.102 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.469 15.263 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.599 17.910 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.319 17.100 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.138 17.655 -6.595 1.00 0.00 H new ATOM 815 N ALA A 135 -1.966 10.356 -8.197 1.00 0.00 N ATOM 816 CA ALA A 135 -2.062 9.381 -7.122 1.00 0.00 C ATOM 817 C ALA A 135 -2.880 9.937 -5.954 1.00 0.00 C ATOM 818 O ALA A 135 -3.164 11.131 -5.893 1.00 0.00 O ATOM 819 CB ALA A 135 -0.637 9.056 -6.670 1.00 0.00 C ATOM 0 H ALA A 135 -1.002 10.560 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.569 8.482 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.669 8.325 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.074 8.645 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.151 9.966 -6.317 1.00 0.00 H new ATOM 825 N PHE A 136 -3.230 9.085 -4.981 1.00 0.00 N ATOM 826 CA PHE A 136 -3.804 9.591 -3.729 1.00 0.00 C ATOM 827 C PHE A 136 -2.776 10.431 -2.936 1.00 0.00 C ATOM 828 O PHE A 136 -3.099 10.997 -1.892 1.00 0.00 O ATOM 829 CB PHE A 136 -4.413 8.448 -2.908 1.00 0.00 C ATOM 830 CG PHE A 136 -5.377 8.923 -1.834 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.600 9.526 -2.194 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.053 8.767 -0.474 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.470 10.009 -1.200 1.00 0.00 C ATOM 834 CE2 PHE A 136 -5.928 9.242 0.520 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.133 9.869 0.159 1.00 0.00 C ATOM 0 H PHE A 136 -3.130 8.071 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.622 10.270 -3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.936 7.767 -3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.610 7.879 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.869 9.617 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.130 8.281 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.397 10.487 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.673 9.125 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 136 -7.799 10.243 0.923 1.00 0.00 H new ATOM 845 N SER A 137 -1.540 10.538 -3.436 1.00 0.00 N ATOM 846 CA SER A 137 -0.506 11.434 -2.966 1.00 0.00 C ATOM 847 C SER A 137 -0.978 12.881 -3.150 1.00 0.00 C ATOM 848 O SER A 137 -1.380 13.278 -4.247 1.00 0.00 O ATOM 849 CB SER A 137 0.738 11.176 -3.823 1.00 0.00 C ATOM 850 OG SER A 137 0.996 9.781 -3.900 1.00 0.00 O ATOM 0 H SER A 137 -1.229 9.966 -4.221 1.00 0.00 H new ATOM 0 HA SER A 137 -0.285 11.270 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.591 11.582 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.598 11.690 -3.394 1.00 0.00 H new ATOM 0 HG SER A 137 1.959 9.632 -4.003 1.00 0.00 H new ATOM 856 N LYS A 138 -0.959 13.680 -2.078 1.00 0.00 N ATOM 857 CA LYS A 138 -1.513 15.034 -2.125 1.00 0.00 C ATOM 858 C LYS A 138 -0.634 15.981 -2.935 1.00 0.00 C ATOM 859 O LYS A 138 -1.163 16.806 -3.678 1.00 0.00 O ATOM 860 CB LYS A 138 -1.793 15.558 -0.704 1.00 0.00 C ATOM 861 CG LYS A 138 -0.556 15.899 0.149 1.00 0.00 C ATOM 862 CD LYS A 138 -0.875 16.096 1.642 1.00 0.00 C ATOM 863 CE LYS A 138 -2.013 17.105 1.883 1.00 0.00 C ATOM 864 NZ LYS A 138 -2.210 17.400 3.329 1.00 0.00 N ATOM 0 H LYS A 138 -0.569 13.414 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.468 14.989 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.412 16.452 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.381 14.810 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.179 15.101 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -0.096 16.808 -0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.149 15.136 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.022 16.438 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.793 18.031 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -2.939 16.711 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -2.986 18.083 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -2.446 16.522 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -1.335 17.801 3.724 1.00 0.00 H new ATOM 878 N ASP A 139 0.691 15.862 -2.810 1.00 0.00 N ATOM 879 CA ASP A 139 1.612 16.855 -3.364 1.00 0.00 C ATOM 880 C ASP A 139 1.663 16.782 -4.892 1.00 0.00 C ATOM 881 O ASP A 139 1.290 17.742 -5.569 1.00 0.00 O ATOM 882 CB ASP A 139 3.011 16.668 -2.764 1.00 0.00 C ATOM 883 CG ASP A 139 3.997 17.707 -3.334 1.00 0.00 C ATOM 884 OD1 ASP A 139 3.779 18.926 -3.134 1.00 0.00 O ATOM 885 OD2 ASP A 139 4.990 17.301 -3.981 1.00 0.00 O ATOM 0 H ASP A 139 1.149 15.087 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 139 1.243 17.845 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.962 16.764 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.372 15.662 -2.979 1.00 0.00 H new ATOM 890 N GLN A 140 2.078 15.631 -5.435 1.00 0.00 N ATOM 891 CA GLN A 140 2.368 15.409 -6.854 1.00 0.00 C ATOM 892 C GLN A 140 2.137 13.925 -7.167 1.00 0.00 C ATOM 893 O GLN A 140 1.879 13.130 -6.262 1.00 0.00 O ATOM 894 CB GLN A 140 3.826 15.827 -7.163 1.00 0.00 C ATOM 895 CG GLN A 140 4.025 17.352 -7.239 1.00 0.00 C ATOM 896 CD GLN A 140 5.480 17.734 -7.476 1.00 0.00 C ATOM 897 OE1 GLN A 140 5.923 17.890 -8.612 1.00 0.00 O ATOM 898 NE2 GLN A 140 6.255 17.890 -6.417 1.00 0.00 N ATOM 0 H GLN A 140 2.227 14.794 -4.872 1.00 0.00 H new ATOM 0 HA GLN A 140 1.711 16.013 -7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.483 15.421 -6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.130 15.381 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.410 17.757 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 140 3.678 17.808 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.872 17.757 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.236 18.143 -6.536 1.00 0.00 H new ATOM 907 N ASN A 141 2.206 13.551 -8.448 1.00 0.00 N ATOM 908 CA ASN A 141 1.841 12.212 -8.918 1.00 0.00 C ATOM 909 C ASN A 141 2.929 11.171 -8.619 1.00 0.00 C ATOM 910 O ASN A 141 4.014 11.508 -8.136 1.00 0.00 O ATOM 911 CB ASN A 141 1.526 12.264 -10.433 1.00 0.00 C ATOM 912 CG ASN A 141 0.616 11.139 -10.900 1.00 0.00 C ATOM 913 OD1 ASN A 141 0.160 10.340 -10.094 1.00 0.00 O ATOM 914 ND2 ASN A 141 0.325 11.034 -12.181 1.00 0.00 N ATOM 0 H ASN A 141 2.519 14.173 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 141 0.952 11.895 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.058 13.220 -10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.461 12.221 -10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.284 10.283 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 141 0.709 11.704 -12.848 1.00 0.00 H new ATOM 921 N ILE A 142 2.642 9.908 -8.949 1.00 0.00 N ATOM 922 CA ILE A 142 3.542 8.768 -8.810 1.00 0.00 C ATOM 923 C ILE A 142 3.722 8.068 -10.168 1.00 0.00 C ATOM 924 O ILE A 142 4.832 8.064 -10.692 1.00 0.00 O ATOM 925 CB ILE A 142 3.054 7.845 -7.666 1.00 0.00 C ATOM 926 CG1 ILE A 142 2.948 8.569 -6.301 1.00 0.00 C ATOM 927 CG2 ILE A 142 3.958 6.612 -7.536 1.00 0.00 C ATOM 928 CD1 ILE A 142 4.261 9.065 -5.684 1.00 0.00 C ATOM 0 H ILE A 142 1.736 9.645 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 142 4.539 9.098 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 142 2.047 7.532 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.283 9.424 -6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.473 7.891 -5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.595 5.979 -6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 142 3.944 6.050 -8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.978 6.930 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 142 4.054 9.554 -4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 142 4.928 8.219 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.735 9.776 -6.361 1.00 0.00 H new ATOM 940 N VAL A 143 2.661 7.506 -10.767 1.00 0.00 N ATOM 941 CA VAL A 143 2.846 6.637 -11.948 1.00 0.00 C ATOM 942 C VAL A 143 3.072 7.426 -13.246 1.00 0.00 C ATOM 943 O VAL A 143 3.816 6.961 -14.109 1.00 0.00 O ATOM 944 CB VAL A 143 1.745 5.561 -12.096 1.00 0.00 C ATOM 945 CG1 VAL A 143 1.656 4.698 -10.832 1.00 0.00 C ATOM 946 CG2 VAL A 143 0.345 6.098 -12.426 1.00 0.00 C ATOM 0 H VAL A 143 1.694 7.629 -10.468 1.00 0.00 H new ATOM 0 HA VAL A 143 3.771 6.093 -11.758 1.00 0.00 H new ATOM 0 HB VAL A 143 2.060 4.972 -12.957 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.875 3.948 -10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.612 4.202 -10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 143 1.418 5.330 -9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -0.354 5.266 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 143 0.017 6.770 -11.633 1.00 0.00 H new ATOM 0 HG23 VAL A 143 0.377 6.640 -13.371 1.00 0.00 H new ATOM 956 N GLY A 144 2.464 8.615 -13.389 1.00 0.00 N ATOM 957 CA GLY A 144 2.649 9.440 -14.588 1.00 0.00 C ATOM 958 C GLY A 144 4.098 9.933 -14.649 1.00 0.00 C ATOM 959 O GLY A 144 4.780 9.774 -15.662 1.00 0.00 O ATOM 0 H GLY A 144 1.843 9.023 -12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.412 8.861 -15.481 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.965 10.289 -14.568 1.00 0.00 H new ATOM 963 N ASN A 145 4.572 10.476 -13.523 1.00 0.00 N ATOM 964 CA ASN A 145 5.962 10.824 -13.238 1.00 0.00 C ATOM 965 C ASN A 145 6.044 10.930 -11.713 1.00 0.00 C ATOM 966 O ASN A 145 5.127 11.488 -11.104 1.00 0.00 O ATOM 967 CB ASN A 145 6.344 12.155 -13.906 1.00 0.00 C ATOM 968 CG ASN A 145 7.808 12.496 -13.660 1.00 0.00 C ATOM 969 OD1 ASN A 145 8.120 13.404 -12.900 1.00 0.00 O ATOM 970 ND2 ASN A 145 8.733 11.785 -14.288 1.00 0.00 N ATOM 0 H ASN A 145 3.956 10.696 -12.741 1.00 0.00 H new ATOM 0 HA ASN A 145 6.656 10.080 -13.630 1.00 0.00 H new ATOM 0 HB2 ASN A 145 6.158 12.093 -14.978 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.712 12.954 -13.518 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.721 11.991 -14.141 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.457 11.032 -14.918 1.00 0.00 H new ATOM 977 N ALA A 146 7.085 10.379 -11.085 1.00 0.00 N ATOM 978 CA ALA A 146 7.120 10.233 -9.632 1.00 0.00 C ATOM 979 C ALA A 146 7.700 11.462 -8.932 1.00 0.00 C ATOM 980 O ALA A 146 8.885 11.755 -9.098 1.00 0.00 O ATOM 981 CB ALA A 146 7.915 8.971 -9.260 1.00 0.00 C ATOM 0 H ALA A 146 7.915 10.027 -11.562 1.00 0.00 H new ATOM 0 HA ALA A 146 6.091 10.135 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 146 7.940 8.863 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 146 7.436 8.096 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 146 8.933 9.057 -9.640 1.00 0.00 H new ATOM 987 N ARG A 147 6.885 12.141 -8.109 1.00 0.00 N ATOM 988 CA ARG A 147 7.339 13.198 -7.192 1.00 0.00 C ATOM 989 C ARG A 147 6.573 13.218 -5.861 1.00 0.00 C ATOM 990 O ARG A 147 7.075 13.828 -4.916 1.00 0.00 O ATOM 991 CB ARG A 147 7.254 14.591 -7.850 1.00 0.00 C ATOM 992 CG ARG A 147 8.432 14.949 -8.775 1.00 0.00 C ATOM 993 CD ARG A 147 8.021 15.030 -10.248 1.00 0.00 C ATOM 994 NE ARG A 147 7.208 16.231 -10.509 1.00 0.00 N ATOM 995 CZ ARG A 147 6.845 16.713 -11.702 1.00 0.00 C ATOM 996 NH1 ARG A 147 7.177 16.075 -12.820 1.00 0.00 N ATOM 997 NH2 ARG A 147 6.147 17.843 -11.752 1.00 0.00 N ATOM 0 H ARG A 147 5.881 11.969 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 147 8.379 12.960 -6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 147 6.330 14.648 -8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 147 7.187 15.344 -7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 147 8.854 15.905 -8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 147 9.218 14.202 -8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.911 15.047 -10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 147 7.456 14.139 -10.520 1.00 0.00 H new ATOM 0 HE ARG A 147 6.888 16.750 -9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 147 7.714 15.209 -12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 147 6.895 16.451 -13.725 1.00 0.00 H new ATOM 0 HH21 ARG A 147 5.897 18.327 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 147 5.861 18.226 -12.653 1.00 0.00 H new ATOM 1011 N GLY A 200 5.386 12.604 -5.759 1.00 0.00 N ATOM 1012 CA GLY A 200 4.610 12.625 -4.520 1.00 0.00 C ATOM 1013 C GLY A 200 5.288 11.875 -3.376 1.00 0.00 C ATOM 1014 O GLY A 200 6.167 11.034 -3.596 1.00 0.00 O ATOM 0 H GLY A 200 4.946 12.088 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 200 4.444 13.660 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 200 3.630 12.185 -4.705 1.00 0.00 H new ATOM 1018 N SER A 201 4.827 12.180 -2.156 1.00 0.00 N ATOM 1019 CA SER A 201 5.480 11.759 -0.919 1.00 0.00 C ATOM 1020 C SER A 201 4.526 11.481 0.261 1.00 0.00 C ATOM 1021 O SER A 201 4.926 10.767 1.183 1.00 0.00 O ATOM 1022 CB SER A 201 6.449 12.894 -0.544 1.00 0.00 C ATOM 1023 OG SER A 201 7.564 12.956 -1.425 1.00 0.00 O ATOM 0 H SER A 201 3.982 12.731 -2.003 1.00 0.00 H new ATOM 0 HA SER A 201 5.972 10.804 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 201 5.918 13.846 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 201 6.801 12.747 0.477 1.00 0.00 H new ATOM 0 HG SER A 201 8.154 13.690 -1.154 1.00 0.00 H new ATOM 1029 N ARG A 363 3.290 12.012 0.283 1.00 0.00 N ATOM 1030 CA ARG A 363 2.359 11.857 1.416 1.00 0.00 C ATOM 1031 C ARG A 363 0.941 11.703 0.884 1.00 0.00 C ATOM 1032 O ARG A 363 0.584 12.399 -0.067 1.00 0.00 O ATOM 1033 CB ARG A 363 2.435 13.088 2.349 1.00 0.00 C ATOM 1034 CG ARG A 363 3.777 13.215 3.089 1.00 0.00 C ATOM 1035 CD ARG A 363 3.761 14.386 4.081 1.00 0.00 C ATOM 1036 NE ARG A 363 5.047 14.500 4.795 1.00 0.00 N ATOM 1037 CZ ARG A 363 5.349 15.413 5.730 1.00 0.00 C ATOM 1038 NH1 ARG A 363 4.456 16.332 6.097 1.00 0.00 N ATOM 1039 NH2 ARG A 363 6.553 15.404 6.296 1.00 0.00 N ATOM 0 H ARG A 363 2.908 12.562 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 363 2.637 10.971 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 363 2.266 13.990 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.630 13.029 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 363 3.990 12.288 3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 363 4.580 13.359 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 363 3.555 15.314 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 363 2.954 14.245 4.800 1.00 0.00 H new ATOM 0 HE ARG A 363 5.772 13.823 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 363 3.532 16.346 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 363 4.697 17.021 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 363 7.242 14.705 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 363 6.787 16.096 7.007 1.00 0.00 H new ATOM 1053 N ALA A 364 0.138 10.821 1.478 1.00 0.00 N ATOM 1054 CA ALA A 364 -1.263 10.618 1.109 1.00 0.00 C ATOM 1055 C ALA A 364 -2.114 11.826 1.514 1.00 0.00 C ATOM 1056 O ALA A 364 -1.763 12.558 2.445 1.00 0.00 O ATOM 1057 CB ALA A 364 -1.784 9.349 1.795 1.00 0.00 C ATOM 0 H ALA A 364 0.447 10.218 2.241 1.00 0.00 H new ATOM 0 HA ALA A 364 -1.333 10.506 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 364 -2.828 9.192 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 364 -1.192 8.492 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 364 -1.702 9.460 2.876 1.00 0.00 H new ATOM 1063 N HIS A 365 -3.234 12.026 0.816 1.00 0.00 N ATOM 1064 CA HIS A 365 -4.163 13.122 1.082 1.00 0.00 C ATOM 1065 C HIS A 365 -5.101 12.813 2.255 1.00 0.00 C ATOM 1066 O HIS A 365 -5.226 11.655 2.674 1.00 0.00 O ATOM 1067 CB HIS A 365 -4.955 13.443 -0.196 1.00 0.00 C ATOM 1068 CG HIS A 365 -5.584 14.811 -0.165 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -5.131 15.881 0.615 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -6.671 15.211 -0.884 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -5.944 16.909 0.322 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -6.879 16.533 -0.568 1.00 0.00 N ATOM 0 H HIS A 365 -3.523 11.425 0.044 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.584 13.998 1.375 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.290 13.373 -1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -5.734 12.693 -0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -7.253 14.609 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -5.859 17.900 0.743 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -7.617 17.127 -0.945 1.00 0.00 H new ATOM 1080 N SER A 366 -5.778 13.851 2.764 1.00 0.00 N ATOM 1081 CA SER A 366 -6.552 13.801 4.005 1.00 0.00 C ATOM 1082 C SER A 366 -7.794 14.712 3.985 1.00 0.00 C ATOM 1083 O SER A 366 -8.449 14.849 5.025 1.00 0.00 O ATOM 1084 CB SER A 366 -5.646 14.218 5.183 1.00 0.00 C ATOM 1085 OG SER A 366 -4.380 13.561 5.175 1.00 0.00 O ATOM 0 H SER A 366 -5.801 14.766 2.313 1.00 0.00 H new ATOM 0 HA SER A 366 -6.906 12.776 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 366 -5.489 15.296 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 366 -6.156 13.999 6.121 1.00 0.00 H new ATOM 0 HG SER A 366 -3.849 13.864 5.941 1.00 0.00 H new ATOM 1091 N SER A 367 -8.139 15.335 2.848 1.00 0.00 N ATOM 1092 CA SER A 367 -9.159 16.386 2.800 1.00 0.00 C ATOM 1093 C SER A 367 -10.120 16.211 1.615 1.00 0.00 C ATOM 1094 O SER A 367 -9.931 15.335 0.767 1.00 0.00 O ATOM 1095 CB SER A 367 -8.462 17.764 2.770 1.00 0.00 C ATOM 1096 OG SER A 367 -7.424 17.861 3.745 1.00 0.00 O ATOM 0 H SER A 367 -7.720 15.124 1.942 1.00 0.00 H new ATOM 0 HA SER A 367 -9.775 16.314 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.045 17.937 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 367 -9.199 18.547 2.947 1.00 0.00 H new ATOM 0 HG SER A 367 -7.007 18.746 3.692 1.00 0.00 H new ATOM 1102 N HIS A 368 -11.146 17.071 1.562 1.00 0.00 N ATOM 1103 CA HIS A 368 -12.302 17.001 0.670 1.00 0.00 C ATOM 1104 C HIS A 368 -13.019 15.645 0.797 1.00 0.00 C ATOM 1105 O HIS A 368 -13.772 15.472 1.762 1.00 0.00 O ATOM 1106 CB HIS A 368 -11.949 17.444 -0.763 1.00 0.00 C ATOM 1107 CG HIS A 368 -13.141 17.412 -1.689 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -14.261 18.251 -1.620 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -13.290 16.544 -2.729 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -15.070 17.835 -2.618 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -14.502 16.825 -3.302 1.00 0.00 N ATOM 0 H HIS A 368 -11.190 17.882 2.180 1.00 0.00 H new ATOM 0 HA HIS A 368 -13.045 17.733 0.988 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -11.540 18.454 -0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.168 16.794 -1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -12.589 15.783 -3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -16.040 18.255 -2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -14.905 16.350 -4.109 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.739 14.681 -0.093 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.464 13.412 -0.275 1.00 0.00 C ATOM 1121 C LEU A 369 -14.952 13.640 -0.603 1.00 0.00 C ATOM 1122 O LEU A 369 -15.456 14.764 -0.594 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.269 12.443 0.918 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.820 12.257 1.416 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.801 11.267 2.588 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -10.873 11.751 0.318 1.00 0.00 C ATOM 0 H LEU A 369 -11.957 14.770 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.021 12.923 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.874 12.800 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.661 11.467 0.634 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.464 13.238 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.777 11.137 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.416 11.653 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -12.197 10.306 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -9.869 11.639 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -11.224 10.787 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -10.853 12.467 -0.503 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.671 12.554 -0.923 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.065 12.623 -1.378 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.415 11.366 -2.198 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.223 10.885 -3.051 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.387 9.491 -3.679 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.562 9.466 -4.663 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.483 10.617 -5.613 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -18.817 11.149 -6.015 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -16.587 10.402 -6.788 1.00 0.00 C HETATM 1147 C M2L A 370 -18.049 12.772 -0.207 1.00 0.00 C HETATM 1148 O M2L A 370 -19.255 12.867 -0.432 1.00 0.00 O HETATM 0 HM2B M2L A 370 -15.571 10.212 -6.441 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -16.940 9.546 -7.363 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -19.391 10.361 -6.504 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -19.353 11.493 -5.130 1.00 0.00 H new HETATM 0 HN M2L A 370 -15.095 11.748 -1.165 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -16.595 11.291 -7.419 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -18.684 11.982 -6.705 1.00 0.00 H new HETATM 0 HEA M2L A 370 -17.557 8.529 -5.219 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.503 9.506 -4.114 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.469 9.211 -4.196 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.549 8.752 -2.895 1.00 0.00 H new HETATM 0 HBA M2L A 370 -17.725 10.567 -1.524 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.263 11.581 -2.848 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.160 13.510 -2.004 1.00 0.00 H new ATOM 1164 N SER A 371 -17.540 12.742 1.035 1.00 0.00 N ATOM 1165 CA SER A 371 -18.295 12.663 2.297 1.00 0.00 C ATOM 1166 C SER A 371 -19.149 11.383 2.444 1.00 0.00 C ATOM 1167 O SER A 371 -19.931 11.258 3.389 1.00 0.00 O ATOM 1168 CB SER A 371 -19.105 13.954 2.519 1.00 0.00 C ATOM 1169 OG SER A 371 -18.276 15.102 2.386 1.00 0.00 O ATOM 0 H SER A 371 -16.533 12.774 1.195 1.00 0.00 H new ATOM 0 HA SER A 371 -17.561 12.580 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 371 -19.921 14.004 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 371 -19.556 13.939 3.511 1.00 0.00 H new ATOM 0 HG SER A 371 -18.811 15.910 2.529 1.00 0.00 H new ATOM 1175 N LYS A 372 -18.984 10.416 1.528 1.00 0.00 N ATOM 1176 CA LYS A 372 -19.666 9.114 1.535 1.00 0.00 C ATOM 1177 C LYS A 372 -18.763 7.980 1.026 1.00 0.00 C ATOM 1178 O LYS A 372 -19.262 6.900 0.703 1.00 0.00 O ATOM 1179 CB LYS A 372 -20.999 9.217 0.761 1.00 0.00 C ATOM 1180 CG LYS A 372 -20.850 9.478 -0.753 1.00 0.00 C ATOM 1181 CD LYS A 372 -22.202 9.700 -1.453 1.00 0.00 C ATOM 1182 CE LYS A 372 -23.091 8.443 -1.429 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.378 8.646 -2.147 1.00 0.00 N ATOM 0 H LYS A 372 -18.351 10.523 0.736 1.00 0.00 H new ATOM 0 HA LYS A 372 -19.899 8.850 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -21.558 8.292 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -21.595 10.019 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -20.218 10.353 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -20.341 8.632 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -22.728 10.522 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -22.028 9.998 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -22.552 7.611 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -23.295 8.165 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -24.941 7.773 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -24.907 9.422 -1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.187 8.885 -3.141 1.00 0.00 H new ATOM 1197 N LYS A 373 -17.448 8.214 0.903 1.00 0.00 N ATOM 1198 CA LYS A 373 -16.514 7.178 0.457 1.00 0.00 C ATOM 1199 C LYS A 373 -16.519 6.049 1.499 1.00 0.00 C ATOM 1200 O LYS A 373 -16.564 6.314 2.705 1.00 0.00 O ATOM 1201 CB LYS A 373 -15.110 7.786 0.242 1.00 0.00 C ATOM 1202 CG LYS A 373 -14.008 6.772 -0.122 1.00 0.00 C ATOM 1203 CD LYS A 373 -14.279 5.945 -1.395 1.00 0.00 C ATOM 1204 CE LYS A 373 -13.216 4.838 -1.548 1.00 0.00 C ATOM 1205 NZ LYS A 373 -13.770 3.599 -2.156 1.00 0.00 N ATOM 0 H LYS A 373 -17.011 9.113 1.107 1.00 0.00 H new ATOM 0 HA LYS A 373 -16.819 6.761 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.172 8.532 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -14.815 8.310 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -13.068 7.309 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -13.873 6.088 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -15.273 5.500 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -14.266 6.595 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -12.397 5.207 -2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -12.797 4.603 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -13.040 2.858 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -14.588 3.276 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -14.069 3.795 -3.132 1.00 0.00 H new ATOM 1219 N GLY A 374 -16.430 4.804 1.036 1.00 0.00 N ATOM 1220 CA GLY A 374 -16.284 3.606 1.844 1.00 0.00 C ATOM 1221 C GLY A 374 -16.002 2.431 0.913 1.00 0.00 C ATOM 1222 O GLY A 374 -16.191 1.276 1.351 1.00 0.00 O ATOM 1223 OXT GLY A 374 -15.600 2.672 -0.252 1.00 0.00 O ATOM 0 H GLY A 374 -16.460 4.599 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -15.470 3.727 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -17.191 3.424 2.421 1.00 0.00 H new TER 1227 GLY A 374