USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 898 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 61 SER OG : rot -163:sc= 0.00462 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.42) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.0641 X(o=0.1,f=-0.047) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.0399 X(o=0.1,f=-0.16) USER MOD Set 3.1: A 10 TYR OH : rot 29:sc= 1.82 USER MOD Set 3.2: A 59 SER OG : rot -150:sc= 0.682 USER MOD Set 3.3: A 60 THR OG1 : rot -76:sc= 0.181 USER MOD Set 4.1: A 3 HIS : no HE2:sc= -0.79 K(o=-0.81,f=-4) USER MOD Set 4.2: A 4 MET CE :methyl 161:sc= -0.0218 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.325) USER MOD Single : A 16 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.09) USER MOD Single : A 19 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-1.7) USER MOD Single : A 23 THR OG1 : rot 160:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.05 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 41 MET CE :methyl -167:sc= -1.34 (180deg=-1.97) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0493) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 45 THR OG1 : rot -13:sc= 0.126 USER MOD Single : A 47 MET CE :methyl -154:sc= -0.63 (180deg=-2.96!) USER MOD Single : A 49 SER OG : rot 35:sc= 0.534 USER MOD Single : A 51 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.15) USER MOD Single : A 53 THR OG1 : rot 94:sc= 1.3 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 66 SER OG : rot 48:sc= 1.28 USER MOD Single : A 68 SER OG : rot -159:sc=-0.00708 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.8) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -115:sc= 1.08 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -73:sc= 1.17 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0083) USER MOD Single : A 102 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.93) USER MOD Single : A 103 TYR OH : rot 30:sc= -0.01 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -126:sc= -0.655 (180deg=-5.49!) USER MOD Single : A 113 ASN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.015) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -12.982 -4.685 6.443 1.00 0.00 N ATOM 20 CA HIS A 3 -12.139 -4.444 5.277 1.00 0.00 C ATOM 21 C HIS A 3 -11.954 -5.690 4.391 1.00 0.00 C ATOM 22 O HIS A 3 -11.934 -5.573 3.166 1.00 0.00 O ATOM 23 CB HIS A 3 -10.794 -3.877 5.753 1.00 0.00 C ATOM 24 CG HIS A 3 -9.877 -4.899 6.379 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.080 -5.581 7.562 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.719 -5.370 5.820 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.063 -6.447 7.704 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.213 -6.353 6.669 1.00 0.00 N ATOM 0 HA HIS A 3 -12.641 -3.719 4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.285 -3.420 4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.983 -3.084 6.476 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.858 -5.451 8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.278 -5.040 4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.945 -7.125 8.536 1.00 0.00 H new ATOM 36 N MET A 4 -11.838 -6.883 4.984 1.00 0.00 N ATOM 37 CA MET A 4 -11.642 -8.128 4.240 1.00 0.00 C ATOM 38 C MET A 4 -12.785 -8.417 3.273 1.00 0.00 C ATOM 39 O MET A 4 -12.545 -9.036 2.238 1.00 0.00 O ATOM 40 CB MET A 4 -11.503 -9.308 5.208 1.00 0.00 C ATOM 41 CG MET A 4 -10.085 -9.385 5.755 1.00 0.00 C ATOM 42 SD MET A 4 -8.863 -10.038 4.586 1.00 0.00 S ATOM 43 CE MET A 4 -7.442 -9.039 5.087 1.00 0.00 C ATOM 0 H MET A 4 -11.878 -7.011 5.995 1.00 0.00 H new ATOM 0 HA MET A 4 -10.729 -8.003 3.658 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.210 -9.197 6.030 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.752 -10.237 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.775 -8.388 6.066 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.087 -10.011 6.647 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.524 -9.509 4.734 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.528 -8.042 4.655 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.416 -8.963 6.174 1.00 0.00 H new ATOM 53 N GLU A 5 -14.006 -7.987 3.583 1.00 0.00 N ATOM 54 CA GLU A 5 -15.152 -8.187 2.702 1.00 0.00 C ATOM 55 C GLU A 5 -14.974 -7.301 1.465 1.00 0.00 C ATOM 56 O GLU A 5 -15.197 -7.741 0.339 1.00 0.00 O ATOM 57 CB GLU A 5 -16.479 -7.842 3.404 1.00 0.00 C ATOM 58 CG GLU A 5 -16.580 -8.249 4.880 1.00 0.00 C ATOM 59 CD GLU A 5 -16.537 -9.747 5.158 1.00 0.00 C ATOM 60 OE1 GLU A 5 -17.615 -10.371 5.197 1.00 0.00 O ATOM 61 OE2 GLU A 5 -15.447 -10.269 5.507 1.00 0.00 O ATOM 0 H GLU A 5 -14.227 -7.493 4.447 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.197 -9.239 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.637 -6.766 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.292 -8.321 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.765 -7.774 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.510 -7.850 5.285 1.00 0.00 H new ATOM 68 N VAL A 6 -14.559 -6.048 1.675 1.00 0.00 N ATOM 69 CA VAL A 6 -14.373 -5.051 0.628 1.00 0.00 C ATOM 70 C VAL A 6 -13.286 -5.514 -0.346 1.00 0.00 C ATOM 71 O VAL A 6 -13.473 -5.418 -1.563 1.00 0.00 O ATOM 72 CB VAL A 6 -14.050 -3.679 1.269 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.841 -2.582 0.214 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.162 -3.252 2.242 1.00 0.00 C ATOM 0 H VAL A 6 -14.338 -5.694 2.606 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.291 -4.935 0.052 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.117 -3.803 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.617 -1.638 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.010 -2.856 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.747 -2.473 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.912 -2.285 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.106 -3.173 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.257 -3.995 3.034 1.00 0.00 H new ATOM 84 N PHE A 7 -12.163 -6.021 0.170 1.00 0.00 N ATOM 85 CA PHE A 7 -10.979 -6.309 -0.634 1.00 0.00 C ATOM 86 C PHE A 7 -10.940 -7.766 -1.101 1.00 0.00 C ATOM 87 O PHE A 7 -10.037 -8.141 -1.852 1.00 0.00 O ATOM 88 CB PHE A 7 -9.722 -5.887 0.137 1.00 0.00 C ATOM 89 CG PHE A 7 -9.704 -4.418 0.533 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.875 -3.419 -0.444 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.519 -4.037 1.875 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.882 -2.060 -0.101 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.509 -2.674 2.220 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.697 -1.691 1.236 1.00 0.00 C ATOM 0 H PHE A 7 -12.052 -6.243 1.159 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.021 -5.721 -1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.638 -6.496 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.845 -6.099 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.003 -3.705 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.385 -4.790 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.029 -1.306 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.356 -2.382 3.248 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.699 -0.647 1.512 1.00 0.00 H new ATOM 104 N ALA A 8 -11.948 -8.563 -0.735 1.00 0.00 N ATOM 105 CA ALA A 8 -12.133 -9.933 -1.194 1.00 0.00 C ATOM 106 C ALA A 8 -12.100 -9.967 -2.720 1.00 0.00 C ATOM 107 O ALA A 8 -11.384 -10.751 -3.337 1.00 0.00 O ATOM 108 CB ALA A 8 -13.498 -10.417 -0.697 1.00 0.00 C ATOM 0 H ALA A 8 -12.678 -8.258 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.340 -10.575 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.663 -11.443 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.523 -10.378 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.281 -9.775 -1.101 1.00 0.00 H new ATOM 114 N GLU A 9 -12.852 -9.048 -3.324 1.00 0.00 N ATOM 115 CA GLU A 9 -13.059 -8.944 -4.757 1.00 0.00 C ATOM 116 C GLU A 9 -11.807 -8.526 -5.525 1.00 0.00 C ATOM 117 O GLU A 9 -11.783 -8.621 -6.754 1.00 0.00 O ATOM 118 CB GLU A 9 -14.149 -7.894 -5.005 1.00 0.00 C ATOM 119 CG GLU A 9 -15.522 -8.364 -4.529 1.00 0.00 C ATOM 120 CD GLU A 9 -16.573 -7.295 -4.809 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.031 -7.207 -5.975 1.00 0.00 O ATOM 122 OE2 GLU A 9 -16.944 -6.572 -3.866 1.00 0.00 O ATOM 0 H GLU A 9 -13.352 -8.329 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.340 -9.934 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.885 -6.970 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.194 -7.664 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.792 -9.291 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.490 -8.581 -3.461 1.00 0.00 H new ATOM 129 N TYR A 10 -10.782 -8.048 -4.823 1.00 0.00 N ATOM 130 CA TYR A 10 -9.489 -7.800 -5.414 1.00 0.00 C ATOM 131 C TYR A 10 -8.718 -9.111 -5.453 1.00 0.00 C ATOM 132 O TYR A 10 -8.366 -9.588 -6.530 1.00 0.00 O ATOM 133 CB TYR A 10 -8.757 -6.728 -4.607 1.00 0.00 C ATOM 134 CG TYR A 10 -7.457 -6.300 -5.237 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.450 -5.824 -6.558 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.263 -6.346 -4.496 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.264 -5.343 -7.126 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.076 -5.852 -5.057 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.085 -5.328 -6.365 1.00 0.00 C ATOM 140 OH TYR A 10 -3.970 -4.754 -6.862 1.00 0.00 O ATOM 0 H TYR A 10 -10.834 -7.825 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.589 -7.428 -6.434 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.405 -5.858 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.561 -7.107 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.361 -5.829 -7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.260 -6.760 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.257 -4.985 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.158 -5.873 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.220 -4.036 -7.480 1.00 0.00 H new ATOM 150 N LEU A 11 -8.497 -9.707 -4.278 1.00 0.00 N ATOM 151 CA LEU A 11 -7.704 -10.921 -4.094 1.00 0.00 C ATOM 152 C LEU A 11 -8.241 -12.057 -4.963 1.00 0.00 C ATOM 153 O LEU A 11 -7.454 -12.704 -5.653 1.00 0.00 O ATOM 154 CB LEU A 11 -7.685 -11.289 -2.597 1.00 0.00 C ATOM 155 CG LEU A 11 -6.582 -10.614 -1.748 1.00 0.00 C ATOM 156 CD1 LEU A 11 -6.126 -9.214 -2.174 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.021 -10.544 -0.282 1.00 0.00 C ATOM 0 H LEU A 11 -8.877 -9.345 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.678 -10.744 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.654 -11.034 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.573 -12.370 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.717 -11.258 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.351 -8.861 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.728 -9.254 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.974 -8.530 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.239 -10.068 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.940 -9.963 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.197 -11.552 0.094 1.00 0.00 H new ATOM 169 N LYS A 12 -9.564 -12.248 -5.005 1.00 0.00 N ATOM 170 CA LYS A 12 -10.205 -13.275 -5.829 1.00 0.00 C ATOM 171 C LYS A 12 -9.841 -13.148 -7.310 1.00 0.00 C ATOM 172 O LYS A 12 -9.845 -14.144 -8.037 1.00 0.00 O ATOM 173 CB LYS A 12 -11.734 -13.238 -5.624 1.00 0.00 C ATOM 174 CG LYS A 12 -12.476 -12.275 -6.560 1.00 0.00 C ATOM 175 CD LYS A 12 -13.969 -12.290 -6.258 1.00 0.00 C ATOM 176 CE LYS A 12 -14.683 -11.294 -7.171 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.126 -11.273 -6.879 1.00 0.00 N ATOM 0 H LYS A 12 -10.224 -11.689 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.827 -14.244 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.132 -14.243 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.943 -12.956 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.084 -11.265 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.305 -12.562 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.372 -13.292 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.142 -12.031 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.263 -10.298 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.520 -11.566 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.556 -10.431 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.571 -12.128 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.272 -11.245 -5.850 1.00 0.00 H new ATOM 191 N GLY A 13 -9.625 -11.920 -7.782 1.00 0.00 N ATOM 192 CA GLY A 13 -9.440 -11.623 -9.189 1.00 0.00 C ATOM 193 C GLY A 13 -8.001 -11.866 -9.623 1.00 0.00 C ATOM 194 O GLY A 13 -7.761 -12.097 -10.808 1.00 0.00 O ATOM 0 H GLY A 13 -9.574 -11.096 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.111 -12.242 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.709 -10.585 -9.382 1.00 0.00 H new ATOM 198 N ILE A 14 -7.035 -11.846 -8.696 1.00 0.00 N ATOM 199 CA ILE A 14 -5.639 -12.045 -9.026 1.00 0.00 C ATOM 200 C ILE A 14 -5.478 -13.538 -9.302 1.00 0.00 C ATOM 201 O ILE A 14 -5.329 -14.337 -8.383 1.00 0.00 O ATOM 202 CB ILE A 14 -4.716 -11.515 -7.904 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.004 -10.024 -7.611 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.246 -11.703 -8.328 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.237 -9.452 -6.414 1.00 0.00 C ATOM 0 H ILE A 14 -7.209 -11.691 -7.703 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.341 -11.477 -9.907 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.908 -12.078 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.758 -9.439 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.073 -9.901 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.590 -11.331 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.048 -12.762 -8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.059 -11.149 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.499 -8.402 -6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.500 -10.008 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.165 -9.538 -6.594 1.00 0.00 H new ATOM 217 N ASP A 15 -5.487 -13.923 -10.574 1.00 0.00 N ATOM 218 CA ASP A 15 -5.364 -15.310 -11.040 1.00 0.00 C ATOM 219 C ASP A 15 -3.991 -15.931 -10.752 1.00 0.00 C ATOM 220 O ASP A 15 -3.719 -17.086 -11.072 1.00 0.00 O ATOM 221 CB ASP A 15 -5.621 -15.321 -12.545 1.00 0.00 C ATOM 222 CG ASP A 15 -5.977 -16.707 -13.102 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.568 -17.542 -12.391 1.00 0.00 O ATOM 224 OD2 ASP A 15 -5.648 -16.956 -14.289 1.00 0.00 O ATOM 0 H ASP A 15 -5.583 -13.257 -11.341 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.091 -15.913 -10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.433 -14.629 -12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.734 -14.950 -13.059 1.00 0.00 H new ATOM 229 N HIS A 16 -3.105 -15.122 -10.186 1.00 0.00 N ATOM 230 CA HIS A 16 -1.789 -15.443 -9.659 1.00 0.00 C ATOM 231 C HIS A 16 -1.829 -15.587 -8.125 1.00 0.00 C ATOM 232 O HIS A 16 -1.524 -14.627 -7.409 1.00 0.00 O ATOM 233 CB HIS A 16 -0.802 -14.375 -10.162 1.00 0.00 C ATOM 234 CG HIS A 16 0.015 -14.803 -11.356 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.272 -14.337 -11.658 1.00 0.00 N ATOM 236 CD2 HIS A 16 -0.310 -15.743 -12.300 1.00 0.00 C ATOM 237 CE1 HIS A 16 1.720 -15.005 -12.729 1.00 0.00 C ATOM 238 NE2 HIS A 16 0.768 -15.834 -13.194 1.00 0.00 N ATOM 0 H HIS A 16 -3.312 -14.129 -10.075 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.447 -16.413 -10.020 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.359 -13.474 -10.421 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.126 -14.109 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.228 -16.310 -12.347 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.705 -14.894 -13.158 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.820 -16.414 -14.031 1.00 0.00 H new ATOM 246 N PRO A 17 -2.179 -16.766 -7.576 1.00 0.00 N ATOM 247 CA PRO A 17 -2.133 -17.006 -6.139 1.00 0.00 C ATOM 248 C PRO A 17 -0.730 -16.852 -5.573 1.00 0.00 C ATOM 249 O PRO A 17 -0.606 -16.282 -4.491 1.00 0.00 O ATOM 250 CB PRO A 17 -2.669 -18.416 -5.910 1.00 0.00 C ATOM 251 CG PRO A 17 -2.433 -19.103 -7.245 1.00 0.00 C ATOM 252 CD PRO A 17 -2.592 -17.979 -8.262 1.00 0.00 C ATOM 0 HA PRO A 17 -2.740 -16.266 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.142 -18.920 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.726 -18.406 -5.644 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.441 -19.551 -7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.153 -19.903 -7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.977 -18.159 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.624 -17.903 -8.604 1.00 0.00 H new ATOM 260 N ASP A 18 0.317 -17.262 -6.307 1.00 0.00 N ATOM 261 CA ASP A 18 1.679 -17.343 -5.770 1.00 0.00 C ATOM 262 C ASP A 18 2.306 -15.960 -5.550 1.00 0.00 C ATOM 263 O ASP A 18 3.488 -15.842 -5.221 1.00 0.00 O ATOM 264 CB ASP A 18 2.553 -18.232 -6.671 1.00 0.00 C ATOM 265 CG ASP A 18 2.339 -19.728 -6.424 1.00 0.00 C ATOM 266 OD1 ASP A 18 2.403 -20.176 -5.251 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.187 -20.492 -7.402 1.00 0.00 O ATOM 0 H ASP A 18 0.241 -17.545 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 18 1.621 -17.805 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.335 -18.007 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.602 -17.988 -6.504 1.00 0.00 H new ATOM 272 N HIS A 19 1.508 -14.907 -5.754 1.00 0.00 N ATOM 273 CA HIS A 19 1.882 -13.507 -5.642 1.00 0.00 C ATOM 274 C HIS A 19 0.784 -12.715 -4.914 1.00 0.00 C ATOM 275 O HIS A 19 1.086 -11.847 -4.091 1.00 0.00 O ATOM 276 CB HIS A 19 2.146 -12.973 -7.061 1.00 0.00 C ATOM 277 CG HIS A 19 2.903 -13.943 -7.946 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.344 -14.935 -8.721 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.260 -14.125 -7.988 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.336 -15.689 -9.210 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.530 -15.195 -8.844 1.00 0.00 N ATOM 0 H HIS A 19 0.529 -15.023 -6.016 1.00 0.00 H new ATOM 0 HA HIS A 19 2.788 -13.393 -5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.193 -12.733 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.710 -12.043 -6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.994 -13.542 -7.452 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.196 -16.572 -9.815 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.448 -15.533 -9.133 1.00 0.00 H new ATOM 289 N ARG A 20 -0.499 -13.045 -5.143 1.00 0.00 N ATOM 290 CA ARG A 20 -1.630 -12.503 -4.383 1.00 0.00 C ATOM 291 C ARG A 20 -1.418 -12.688 -2.891 1.00 0.00 C ATOM 292 O ARG A 20 -1.716 -11.767 -2.138 1.00 0.00 O ATOM 293 CB ARG A 20 -2.933 -13.187 -4.825 1.00 0.00 C ATOM 294 CG ARG A 20 -4.204 -12.753 -4.059 1.00 0.00 C ATOM 295 CD ARG A 20 -4.557 -13.618 -2.834 1.00 0.00 C ATOM 296 NE ARG A 20 -4.761 -15.023 -3.209 1.00 0.00 N ATOM 297 CZ ARG A 20 -4.248 -16.080 -2.565 1.00 0.00 C ATOM 298 NH1 ARG A 20 -3.681 -15.947 -1.373 1.00 0.00 N ATOM 299 NH2 ARG A 20 -4.288 -17.275 -3.138 1.00 0.00 N ATOM 0 H ARG A 20 -0.779 -13.703 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.702 -11.434 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.084 -12.990 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.813 -14.265 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.077 -11.721 -3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.048 -12.767 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.758 -13.549 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.460 -13.231 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.341 -15.210 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.630 -15.029 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.296 -16.763 -0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.707 -17.384 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.900 -18.085 -2.655 1.00 0.00 H new ATOM 313 N ASP A 21 -0.891 -13.837 -2.473 1.00 0.00 N ATOM 314 CA ASP A 21 -0.687 -14.196 -1.069 1.00 0.00 C ATOM 315 C ASP A 21 0.220 -13.201 -0.339 1.00 0.00 C ATOM 316 O ASP A 21 0.124 -13.077 0.873 1.00 0.00 O ATOM 317 CB ASP A 21 -0.082 -15.611 -1.025 1.00 0.00 C ATOM 318 CG ASP A 21 -0.551 -16.475 0.142 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.612 -17.126 0.007 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.187 -16.562 1.153 1.00 0.00 O ATOM 0 H ASP A 21 -0.585 -14.565 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.647 -14.169 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.323 -16.123 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.004 -15.525 -0.981 1.00 0.00 H new ATOM 325 N ARG A 22 1.069 -12.447 -1.053 1.00 0.00 N ATOM 326 CA ARG A 22 1.855 -11.354 -0.466 1.00 0.00 C ATOM 327 C ARG A 22 1.040 -10.068 -0.347 1.00 0.00 C ATOM 328 O ARG A 22 1.275 -9.271 0.550 1.00 0.00 O ATOM 329 CB ARG A 22 3.108 -11.064 -1.314 1.00 0.00 C ATOM 330 CG ARG A 22 4.021 -12.261 -1.632 1.00 0.00 C ATOM 331 CD ARG A 22 4.549 -12.998 -0.391 1.00 0.00 C ATOM 332 NE ARG A 22 3.627 -14.045 0.087 1.00 0.00 N ATOM 333 CZ ARG A 22 3.620 -14.587 1.313 1.00 0.00 C ATOM 334 NH1 ARG A 22 4.472 -14.156 2.241 1.00 0.00 N ATOM 335 NH2 ARG A 22 2.781 -15.566 1.632 1.00 0.00 N ATOM 0 H ARG A 22 1.229 -12.578 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 22 2.147 -11.681 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.786 -10.622 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.702 -10.311 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.471 -12.968 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.869 -11.911 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.514 -13.449 -0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.719 -12.277 0.409 1.00 0.00 H new ATOM 0 HE ARG A 22 2.931 -14.388 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.133 -13.411 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.464 -14.571 3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.124 -15.921 0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.794 -15.963 2.571 1.00 0.00 H new ATOM 349 N THR A 23 0.100 -9.833 -1.255 1.00 0.00 N ATOM 350 CA THR A 23 -0.686 -8.607 -1.321 1.00 0.00 C ATOM 351 C THR A 23 -1.707 -8.564 -0.184 1.00 0.00 C ATOM 352 O THR A 23 -1.937 -7.499 0.400 1.00 0.00 O ATOM 353 CB THR A 23 -1.371 -8.571 -2.697 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.418 -8.725 -3.735 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.144 -7.277 -2.950 1.00 0.00 C ATOM 0 H THR A 23 -0.142 -10.505 -1.983 1.00 0.00 H new ATOM 0 HA THR A 23 -0.049 -7.731 -1.203 1.00 0.00 H new ATOM 0 HB THR A 23 -2.080 -9.399 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.870 -9.018 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.604 -7.315 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.920 -7.163 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.461 -6.429 -2.900 1.00 0.00 H new ATOM 363 N GLU A 24 -2.329 -9.704 0.132 1.00 0.00 N ATOM 364 CA GLU A 24 -3.303 -9.796 1.207 1.00 0.00 C ATOM 365 C GLU A 24 -2.680 -9.489 2.569 1.00 0.00 C ATOM 366 O GLU A 24 -3.385 -9.001 3.460 1.00 0.00 O ATOM 367 CB GLU A 24 -3.989 -11.168 1.199 1.00 0.00 C ATOM 368 CG GLU A 24 -3.070 -12.348 1.017 1.00 0.00 C ATOM 369 CD GLU A 24 -3.731 -13.644 1.461 1.00 0.00 C ATOM 370 OE1 GLU A 24 -4.449 -14.227 0.609 1.00 0.00 O ATOM 371 OE2 GLU A 24 -3.518 -14.058 2.620 1.00 0.00 O ATOM 0 H GLU A 24 -2.166 -10.586 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.064 -9.035 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.529 -11.291 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.731 -11.180 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.780 -12.427 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.156 -12.190 1.589 1.00 0.00 H new ATOM 378 N GLU A 25 -1.370 -9.712 2.707 1.00 0.00 N ATOM 379 CA GLU A 25 -0.620 -9.406 3.913 1.00 0.00 C ATOM 380 C GLU A 25 -0.718 -7.916 4.229 1.00 0.00 C ATOM 381 O GLU A 25 -1.145 -7.549 5.326 1.00 0.00 O ATOM 382 CB GLU A 25 0.846 -9.850 3.782 1.00 0.00 C ATOM 383 CG GLU A 25 0.998 -11.350 3.520 1.00 0.00 C ATOM 384 CD GLU A 25 2.062 -11.971 4.416 1.00 0.00 C ATOM 385 OE1 GLU A 25 1.699 -12.413 5.529 1.00 0.00 O ATOM 386 OE2 GLU A 25 3.255 -12.018 4.032 1.00 0.00 O ATOM 0 H GLU A 25 -0.797 -10.118 1.967 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.056 -9.964 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.316 -9.296 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.381 -9.591 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.043 -11.848 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.262 -11.512 2.475 1.00 0.00 H new ATOM 393 N ILE A 26 -0.362 -7.050 3.272 1.00 0.00 N ATOM 394 CA ILE A 26 -0.307 -5.608 3.519 1.00 0.00 C ATOM 395 C ILE A 26 -1.707 -5.092 3.844 1.00 0.00 C ATOM 396 O ILE A 26 -1.855 -4.245 4.719 1.00 0.00 O ATOM 397 CB ILE A 26 0.323 -4.832 2.337 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.706 -5.405 1.940 1.00 0.00 C ATOM 399 CG2 ILE A 26 0.491 -3.343 2.713 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.695 -6.156 0.615 1.00 0.00 C ATOM 0 H ILE A 26 -0.109 -7.324 2.323 1.00 0.00 H new ATOM 0 HA ILE A 26 0.345 -5.435 4.375 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.351 -4.937 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.425 -4.588 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.052 -6.076 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.935 -2.804 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.484 -2.914 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.141 -3.259 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.696 -6.530 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.001 -6.994 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.380 -5.483 -0.182 1.00 0.00 H new ATOM 412 N LEU A 27 -2.737 -5.573 3.142 1.00 0.00 N ATOM 413 CA LEU A 27 -4.129 -5.207 3.407 1.00 0.00 C ATOM 414 C LEU A 27 -4.463 -5.438 4.890 1.00 0.00 C ATOM 415 O LEU A 27 -4.902 -4.508 5.569 1.00 0.00 O ATOM 416 CB LEU A 27 -5.061 -6.018 2.492 1.00 0.00 C ATOM 417 CG LEU A 27 -5.130 -5.590 1.018 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.936 -6.615 0.219 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.801 -4.230 0.839 1.00 0.00 C ATOM 0 H LEU A 27 -2.627 -6.231 2.370 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.275 -4.148 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.749 -7.062 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.068 -5.972 2.906 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.102 -5.525 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.982 -6.307 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.455 -7.591 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.946 -6.679 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.825 -3.973 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.819 -4.273 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.238 -3.472 1.384 1.00 0.00 H new ATOM 431 N SER A 28 -4.216 -6.652 5.388 1.00 0.00 N ATOM 432 CA SER A 28 -4.478 -7.049 6.767 1.00 0.00 C ATOM 433 C SER A 28 -3.640 -6.221 7.753 1.00 0.00 C ATOM 434 O SER A 28 -4.136 -5.746 8.783 1.00 0.00 O ATOM 435 CB SER A 28 -4.165 -8.546 6.875 1.00 0.00 C ATOM 436 OG SER A 28 -4.674 -9.109 8.063 1.00 0.00 O ATOM 0 H SER A 28 -3.818 -7.404 4.825 1.00 0.00 H new ATOM 0 HA SER A 28 -5.520 -6.864 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.588 -9.067 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.086 -8.694 6.837 1.00 0.00 H new ATOM 0 HG SER A 28 -4.455 -10.064 8.093 1.00 0.00 H new ATOM 442 N TRP A 29 -2.354 -6.032 7.447 1.00 0.00 N ATOM 443 CA TRP A 29 -1.419 -5.265 8.255 1.00 0.00 C ATOM 444 C TRP A 29 -1.881 -3.823 8.434 1.00 0.00 C ATOM 445 O TRP A 29 -1.843 -3.297 9.554 1.00 0.00 O ATOM 446 CB TRP A 29 -0.026 -5.353 7.632 1.00 0.00 C ATOM 447 CG TRP A 29 0.966 -4.470 8.304 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.511 -4.679 9.519 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.493 -3.200 7.835 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.311 -3.606 9.848 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.303 -2.633 8.863 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.348 -2.470 6.640 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.904 -1.369 8.720 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.999 -1.240 6.463 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.780 -0.701 7.495 1.00 0.00 C ATOM 0 H TRP A 29 -1.928 -6.422 6.606 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.378 -5.692 9.257 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.323 -6.385 7.679 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.088 -5.085 6.577 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.347 -5.549 10.137 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.845 -3.537 10.714 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.727 -2.862 5.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.450 -0.923 9.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.898 -0.707 5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.291 0.238 7.344 1.00 0.00 H new ATOM 466 N VAL A 30 -2.342 -3.183 7.366 1.00 0.00 N ATOM 467 CA VAL A 30 -2.846 -1.827 7.444 1.00 0.00 C ATOM 468 C VAL A 30 -4.081 -1.771 8.343 1.00 0.00 C ATOM 469 O VAL A 30 -4.120 -0.907 9.218 1.00 0.00 O ATOM 470 CB VAL A 30 -3.072 -1.273 6.029 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.902 0.013 6.083 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.700 -1.020 5.374 1.00 0.00 C ATOM 0 H VAL A 30 -2.375 -3.590 6.431 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.110 -1.174 7.913 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.628 -1.996 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.052 0.392 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.869 -0.197 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.376 0.761 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.844 -0.626 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.140 -0.299 5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.144 -1.956 5.321 1.00 0.00 H new ATOM 482 N ALA A 31 -5.045 -2.684 8.194 1.00 0.00 N ATOM 483 CA ALA A 31 -6.260 -2.663 9.008 1.00 0.00 C ATOM 484 C ALA A 31 -5.993 -2.846 10.510 1.00 0.00 C ATOM 485 O ALA A 31 -6.893 -2.604 11.319 1.00 0.00 O ATOM 486 CB ALA A 31 -7.221 -3.733 8.498 1.00 0.00 C ATOM 0 H ALA A 31 -5.006 -3.446 7.517 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.704 -1.673 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.129 -3.723 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.473 -3.529 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.748 -4.712 8.571 1.00 0.00 H new ATOM 492 N ALA A 32 -4.778 -3.256 10.899 1.00 0.00 N ATOM 493 CA ALA A 32 -4.310 -3.158 12.270 1.00 0.00 C ATOM 494 C ALA A 32 -3.595 -1.828 12.521 1.00 0.00 C ATOM 495 O ALA A 32 -3.846 -1.210 13.555 1.00 0.00 O ATOM 496 CB ALA A 32 -3.371 -4.318 12.600 1.00 0.00 C ATOM 0 H ALA A 32 -4.096 -3.666 10.261 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.184 -3.207 12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.030 -4.228 13.631 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.901 -5.262 12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.511 -4.292 11.930 1.00 0.00 H new ATOM 502 N THR A 33 -2.655 -1.421 11.659 1.00 0.00 N ATOM 503 CA THR A 33 -1.706 -0.376 12.018 1.00 0.00 C ATOM 504 C THR A 33 -2.336 1.007 11.905 1.00 0.00 C ATOM 505 O THR A 33 -1.995 1.854 12.729 1.00 0.00 O ATOM 506 CB THR A 33 -0.450 -0.456 11.142 1.00 0.00 C ATOM 507 OG1 THR A 33 0.002 -1.801 11.051 1.00 0.00 O ATOM 508 CG2 THR A 33 0.737 0.306 11.744 1.00 0.00 C ATOM 0 H THR A 33 -2.537 -1.799 10.719 1.00 0.00 H new ATOM 0 HA THR A 33 -1.420 -0.537 13.057 1.00 0.00 H new ATOM 0 HB THR A 33 -0.741 -0.032 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.615 -2.316 10.491 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.599 0.217 11.084 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.474 1.358 11.857 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.982 -0.114 12.720 1.00 0.00 H new ATOM 516 N PHE A 34 -3.242 1.238 10.940 1.00 0.00 N ATOM 517 CA PHE A 34 -3.868 2.543 10.741 1.00 0.00 C ATOM 518 C PHE A 34 -5.374 2.394 10.972 1.00 0.00 C ATOM 519 O PHE A 34 -6.140 2.303 10.013 1.00 0.00 O ATOM 520 CB PHE A 34 -3.483 3.229 9.407 1.00 0.00 C ATOM 521 CG PHE A 34 -2.085 2.881 8.934 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.999 3.103 9.792 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.857 2.285 7.686 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.279 2.665 9.434 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.566 1.899 7.298 1.00 0.00 C ATOM 526 CZ PHE A 34 0.502 2.060 8.187 1.00 0.00 C ATOM 0 H PHE A 34 -3.556 0.525 10.282 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.475 3.245 11.477 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.201 2.942 8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.560 4.310 9.527 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.150 3.614 10.732 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.687 2.121 7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.102 2.793 10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.397 1.479 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.491 1.721 7.916 1.00 0.00 H new ATOM 536 N PRO A 35 -5.832 2.296 12.232 1.00 0.00 N ATOM 537 CA PRO A 35 -7.226 2.001 12.542 1.00 0.00 C ATOM 538 C PRO A 35 -8.186 3.135 12.162 1.00 0.00 C ATOM 539 O PRO A 35 -9.399 2.906 12.127 1.00 0.00 O ATOM 540 CB PRO A 35 -7.247 1.707 14.046 1.00 0.00 C ATOM 541 CG PRO A 35 -6.023 2.429 14.597 1.00 0.00 C ATOM 542 CD PRO A 35 -5.032 2.353 13.443 1.00 0.00 C ATOM 0 HA PRO A 35 -7.583 1.155 11.954 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.164 2.072 14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.196 0.636 14.241 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.250 3.460 14.867 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.637 1.943 15.493 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.374 3.222 13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.396 1.472 13.532 1.00 0.00 H new ATOM 550 N ASN A 36 -7.672 4.336 11.877 1.00 0.00 N ATOM 551 CA ASN A 36 -8.479 5.481 11.457 1.00 0.00 C ATOM 552 C ASN A 36 -8.954 5.337 10.004 1.00 0.00 C ATOM 553 O ASN A 36 -9.909 5.993 9.586 1.00 0.00 O ATOM 554 CB ASN A 36 -7.656 6.769 11.629 1.00 0.00 C ATOM 555 CG ASN A 36 -8.493 7.896 12.203 1.00 0.00 C ATOM 556 OD1 ASN A 36 -8.337 8.244 13.370 1.00 0.00 O ATOM 557 ND2 ASN A 36 -9.391 8.471 11.429 1.00 0.00 N ATOM 0 H ASN A 36 -6.674 4.540 11.933 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.370 5.526 12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.808 6.574 12.286 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.249 7.073 10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.975 9.222 11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.502 8.165 10.462 1.00 0.00 H new ATOM 564 N LEU A 37 -8.276 4.501 9.210 1.00 0.00 N ATOM 565 CA LEU A 37 -8.548 4.265 7.808 1.00 0.00 C ATOM 566 C LEU A 37 -9.847 3.502 7.678 1.00 0.00 C ATOM 567 O LEU A 37 -10.222 2.662 8.503 1.00 0.00 O ATOM 568 CB LEU A 37 -7.400 3.470 7.153 1.00 0.00 C ATOM 569 CG LEU A 37 -6.093 4.243 6.894 1.00 0.00 C ATOM 570 CD1 LEU A 37 -5.707 5.119 8.021 1.00 0.00 C ATOM 571 CD2 LEU A 37 -4.966 3.459 6.231 1.00 0.00 C ATOM 0 H LEU A 37 -7.489 3.951 9.553 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.630 5.224 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.171 2.614 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.757 3.074 6.202 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.340 4.933 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.779 5.636 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.495 5.851 8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.563 4.516 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.100 4.107 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.694 2.611 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.298 3.097 5.258 1.00 0.00 H new ATOM 583 N GLU A 38 -10.479 3.749 6.549 1.00 0.00 N ATOM 584 CA GLU A 38 -11.698 3.057 6.136 1.00 0.00 C ATOM 585 C GLU A 38 -11.455 2.404 4.775 1.00 0.00 C ATOM 586 O GLU A 38 -10.849 3.042 3.912 1.00 0.00 O ATOM 587 CB GLU A 38 -12.855 4.065 6.020 1.00 0.00 C ATOM 588 CG GLU A 38 -13.241 4.730 7.347 1.00 0.00 C ATOM 589 CD GLU A 38 -14.399 4.050 8.081 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.501 2.793 8.066 1.00 0.00 O ATOM 591 OE2 GLU A 38 -15.175 4.779 8.733 1.00 0.00 O ATOM 0 H GLU A 38 -10.160 4.447 5.877 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.959 2.299 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.578 4.839 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.728 3.554 5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.369 4.741 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.509 5.769 7.155 1.00 0.00 H new ATOM 598 N PRO A 39 -12.002 1.207 4.518 1.00 0.00 N ATOM 599 CA PRO A 39 -11.842 0.513 3.246 1.00 0.00 C ATOM 600 C PRO A 39 -12.742 1.138 2.178 1.00 0.00 C ATOM 601 O PRO A 39 -13.776 1.707 2.524 1.00 0.00 O ATOM 602 CB PRO A 39 -12.272 -0.926 3.541 1.00 0.00 C ATOM 603 CG PRO A 39 -13.322 -0.763 4.640 1.00 0.00 C ATOM 604 CD PRO A 39 -12.743 0.383 5.463 1.00 0.00 C ATOM 0 HA PRO A 39 -10.823 0.571 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.687 -1.411 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.432 -1.536 3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.303 -0.519 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.439 -1.671 5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.533 0.956 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.091 0.009 6.252 1.00 0.00 H new ATOM 612 N GLN A 40 -12.387 1.023 0.891 1.00 0.00 N ATOM 613 CA GLN A 40 -13.195 1.392 -0.256 1.00 0.00 C ATOM 614 C GLN A 40 -12.385 1.000 -1.495 1.00 0.00 C ATOM 615 O GLN A 40 -11.417 1.681 -1.833 1.00 0.00 O ATOM 616 CB GLN A 40 -13.517 2.893 -0.184 1.00 0.00 C ATOM 617 CG GLN A 40 -14.078 3.487 -1.471 1.00 0.00 C ATOM 618 CD GLN A 40 -14.506 4.959 -1.331 1.00 0.00 C ATOM 619 OE1 GLN A 40 -14.854 5.449 -0.145 1.00 0.00 O flip ATOM 620 NE2 GLN A 40 -14.542 5.704 -2.309 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.478 0.649 0.619 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.157 0.880 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.235 3.059 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.609 3.433 0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.326 3.408 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.936 2.896 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.280 5.351 -3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.834 6.675 -2.200 1.00 0.00 H new ATOM 629 N MET A 41 -12.732 -0.114 -2.142 1.00 0.00 N ATOM 630 CA MET A 41 -12.197 -0.471 -3.454 1.00 0.00 C ATOM 631 C MET A 41 -12.578 0.620 -4.449 1.00 0.00 C ATOM 632 O MET A 41 -13.751 0.979 -4.545 1.00 0.00 O ATOM 633 CB MET A 41 -12.789 -1.818 -3.910 1.00 0.00 C ATOM 634 CG MET A 41 -12.007 -3.014 -3.377 1.00 0.00 C ATOM 635 SD MET A 41 -10.305 -3.108 -3.975 1.00 0.00 S ATOM 636 CE MET A 41 -10.623 -3.578 -5.674 1.00 0.00 C ATOM 0 H MET A 41 -13.394 -0.795 -1.769 1.00 0.00 H new ATOM 0 HA MET A 41 -11.112 -0.564 -3.399 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.824 -1.887 -3.575 1.00 0.00 H new ATOM 0 HB3 MET A 41 -12.803 -1.854 -4.999 1.00 0.00 H new ATOM 0 HG2 MET A 41 -11.996 -2.971 -2.288 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.530 -3.929 -3.655 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.694 -3.907 -6.140 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.348 -4.391 -5.697 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.020 -2.722 -6.220 1.00 0.00 H new ATOM 646 N LYS A 42 -11.628 1.141 -5.222 1.00 0.00 N ATOM 647 CA LYS A 42 -11.900 2.071 -6.313 1.00 0.00 C ATOM 648 C LYS A 42 -11.083 1.603 -7.493 1.00 0.00 C ATOM 649 O LYS A 42 -9.938 1.235 -7.282 1.00 0.00 O ATOM 650 CB LYS A 42 -11.500 3.500 -5.888 1.00 0.00 C ATOM 651 CG LYS A 42 -12.412 4.518 -6.574 1.00 0.00 C ATOM 652 CD LYS A 42 -11.829 5.924 -6.734 1.00 0.00 C ATOM 653 CE LYS A 42 -12.637 6.721 -7.772 1.00 0.00 C ATOM 654 NZ LYS A 42 -14.089 6.769 -7.496 1.00 0.00 N ATOM 0 H LYS A 42 -10.638 0.926 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.959 2.094 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.575 3.602 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.461 3.691 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.673 4.138 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.339 4.591 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.844 6.443 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.787 5.860 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.252 7.740 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.479 6.280 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.551 7.405 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.491 5.814 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.247 7.122 -6.531 1.00 0.00 H new ATOM 668 N TRP A 43 -11.622 1.626 -8.712 1.00 0.00 N ATOM 669 CA TRP A 43 -10.866 1.306 -9.926 1.00 0.00 C ATOM 670 C TRP A 43 -10.238 -0.102 -9.962 1.00 0.00 C ATOM 671 O TRP A 43 -9.318 -0.350 -10.735 1.00 0.00 O ATOM 672 CB TRP A 43 -9.815 2.403 -10.165 1.00 0.00 C ATOM 673 CG TRP A 43 -10.255 3.544 -11.011 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.172 4.481 -10.692 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.791 3.869 -12.351 1.00 0.00 C ATOM 676 NE1 TRP A 43 -11.278 5.382 -11.732 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.408 5.083 -12.757 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.911 3.252 -13.262 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -10.113 5.701 -13.979 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.624 3.848 -14.500 1.00 0.00 C ATOM 681 CH2 TRP A 43 -9.196 5.083 -14.842 1.00 0.00 C ATOM 0 H TRP A 43 -12.597 1.867 -8.887 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.588 1.283 -10.742 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.497 2.793 -9.198 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.940 1.947 -10.628 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.733 4.520 -9.770 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.922 6.173 -11.741 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.452 2.309 -13.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.582 6.635 -14.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.959 3.354 -15.193 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.929 5.560 -15.774 1.00 0.00 H new ATOM 692 N ASN A 44 -10.719 -1.045 -9.148 1.00 0.00 N ATOM 693 CA ASN A 44 -10.108 -2.315 -8.850 1.00 0.00 C ATOM 694 C ASN A 44 -8.769 -2.181 -8.128 1.00 0.00 C ATOM 695 O ASN A 44 -8.090 -3.187 -7.986 1.00 0.00 O ATOM 696 CB ASN A 44 -9.959 -3.252 -10.040 1.00 0.00 C ATOM 697 CG ASN A 44 -11.189 -3.504 -10.888 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.665 -2.622 -11.593 1.00 0.00 O ATOM 699 ND2 ASN A 44 -11.742 -4.705 -10.868 1.00 0.00 N ATOM 0 H ASN A 44 -11.603 -0.920 -8.655 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.828 -2.778 -8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.179 -2.852 -10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.603 -4.213 -9.669 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.565 -4.897 -11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.346 -5.439 -10.281 1.00 0.00 H new ATOM 706 N THR A 45 -8.392 -1.010 -7.623 1.00 0.00 N ATOM 707 CA THR A 45 -7.136 -0.810 -6.934 1.00 0.00 C ATOM 708 C THR A 45 -7.443 -0.470 -5.467 1.00 0.00 C ATOM 709 O THR A 45 -8.090 0.545 -5.180 1.00 0.00 O ATOM 710 CB THR A 45 -6.252 0.186 -7.714 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.820 1.472 -7.888 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.974 -0.341 -9.131 1.00 0.00 C ATOM 0 H THR A 45 -8.963 -0.167 -7.685 1.00 0.00 H new ATOM 0 HA THR A 45 -6.523 -1.711 -6.900 1.00 0.00 H new ATOM 0 HB THR A 45 -5.354 0.277 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.773 1.442 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.349 0.372 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.458 -1.299 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.917 -0.470 -9.663 1.00 0.00 H new ATOM 720 N PRO A 46 -7.099 -1.352 -4.518 1.00 0.00 N ATOM 721 CA PRO A 46 -7.471 -1.195 -3.120 1.00 0.00 C ATOM 722 C PRO A 46 -6.811 0.032 -2.496 1.00 0.00 C ATOM 723 O PRO A 46 -5.604 0.265 -2.604 1.00 0.00 O ATOM 724 CB PRO A 46 -7.047 -2.487 -2.432 1.00 0.00 C ATOM 725 CG PRO A 46 -5.937 -3.004 -3.330 1.00 0.00 C ATOM 726 CD PRO A 46 -6.396 -2.604 -4.715 1.00 0.00 C ATOM 0 HA PRO A 46 -8.542 -1.027 -3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.694 -2.306 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.872 -3.196 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.975 -2.556 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.818 -4.084 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.551 -2.482 -5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.048 -3.361 -5.151 1.00 0.00 H new ATOM 734 N MET A 47 -7.629 0.806 -1.795 1.00 0.00 N ATOM 735 CA MET A 47 -7.220 1.995 -1.074 1.00 0.00 C ATOM 736 C MET A 47 -8.034 2.062 0.210 1.00 0.00 C ATOM 737 O MET A 47 -9.105 1.452 0.308 1.00 0.00 O ATOM 738 CB MET A 47 -7.388 3.247 -1.958 1.00 0.00 C ATOM 739 CG MET A 47 -8.791 3.408 -2.558 1.00 0.00 C ATOM 740 SD MET A 47 -9.145 4.955 -3.441 1.00 0.00 S ATOM 741 CE MET A 47 -8.776 6.183 -2.162 1.00 0.00 C ATOM 0 H MET A 47 -8.627 0.614 -1.713 1.00 0.00 H new ATOM 0 HA MET A 47 -6.162 1.954 -0.815 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.155 4.131 -1.365 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.661 3.206 -2.769 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.961 2.580 -3.246 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.517 3.306 -1.751 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.350 7.090 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.043 5.782 -1.184 1.00 0.00 H new ATOM 0 HE3 MET A 47 -7.712 6.418 -2.179 1.00 0.00 H new ATOM 751 N PHE A 48 -7.525 2.809 1.184 1.00 0.00 N ATOM 752 CA PHE A 48 -8.170 3.040 2.458 1.00 0.00 C ATOM 753 C PHE A 48 -8.277 4.543 2.587 1.00 0.00 C ATOM 754 O PHE A 48 -7.261 5.229 2.717 1.00 0.00 O ATOM 755 CB PHE A 48 -7.398 2.446 3.645 1.00 0.00 C ATOM 756 CG PHE A 48 -6.561 1.226 3.357 1.00 0.00 C ATOM 757 CD1 PHE A 48 -7.205 0.022 3.044 1.00 0.00 C ATOM 758 CD2 PHE A 48 -5.157 1.291 3.410 1.00 0.00 C ATOM 759 CE1 PHE A 48 -6.449 -1.122 2.744 1.00 0.00 C ATOM 760 CE2 PHE A 48 -4.395 0.165 3.031 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.048 -1.040 2.733 1.00 0.00 C ATOM 0 H PHE A 48 -6.625 3.282 1.100 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.141 2.545 2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.746 3.220 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.115 2.192 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.284 -0.026 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.666 2.195 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.941 -2.058 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.319 0.231 2.971 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.465 -1.916 2.492 1.00 0.00 H new ATOM 771 N SER A 49 -9.478 5.086 2.489 1.00 0.00 N ATOM 772 CA SER A 49 -9.659 6.500 2.709 1.00 0.00 C ATOM 773 C SER A 49 -9.519 6.718 4.208 1.00 0.00 C ATOM 774 O SER A 49 -10.303 6.139 4.963 1.00 0.00 O ATOM 775 CB SER A 49 -11.036 6.924 2.204 1.00 0.00 C ATOM 776 OG SER A 49 -12.058 6.145 2.819 1.00 0.00 O ATOM 0 H SER A 49 -10.329 4.572 2.261 1.00 0.00 H new ATOM 0 HA SER A 49 -8.925 7.100 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.198 7.980 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.084 6.807 1.121 1.00 0.00 H new ATOM 0 HG SER A 49 -11.803 5.942 3.743 1.00 0.00 H new ATOM 782 N ASN A 50 -8.575 7.535 4.667 1.00 0.00 N ATOM 783 CA ASN A 50 -8.643 8.034 6.034 1.00 0.00 C ATOM 784 C ASN A 50 -9.857 8.951 6.095 1.00 0.00 C ATOM 785 O ASN A 50 -9.785 10.057 5.565 1.00 0.00 O ATOM 786 CB ASN A 50 -7.382 8.774 6.495 1.00 0.00 C ATOM 787 CG ASN A 50 -7.670 9.255 7.914 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.106 8.468 8.744 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.543 10.535 8.193 1.00 0.00 N ATOM 0 H ASN A 50 -7.773 7.859 4.127 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.725 7.187 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.514 8.115 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.160 9.614 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.810 10.885 9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.178 11.177 7.489 1.00 0.00 H new ATOM 796 N GLN A 51 -10.986 8.437 6.585 1.00 0.00 N ATOM 797 CA GLN A 51 -12.317 9.038 6.727 1.00 0.00 C ATOM 798 C GLN A 51 -12.931 9.721 5.484 1.00 0.00 C ATOM 799 O GLN A 51 -14.088 10.130 5.538 1.00 0.00 O ATOM 800 CB GLN A 51 -12.351 9.957 7.961 1.00 0.00 C ATOM 801 CG GLN A 51 -11.678 9.322 9.187 1.00 0.00 C ATOM 802 CD GLN A 51 -12.156 9.944 10.490 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.554 10.881 11.005 1.00 0.00 O ATOM 804 NE2 GLN A 51 -13.229 9.417 11.051 1.00 0.00 N ATOM 0 H GLN A 51 -10.992 7.478 6.933 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.979 8.183 6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.853 10.897 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.386 10.197 8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.885 8.252 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.597 9.437 9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.710 8.638 10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.577 9.789 11.935 1.00 0.00 H new ATOM 813 N GLY A 52 -12.211 9.827 4.366 1.00 0.00 N ATOM 814 CA GLY A 52 -12.625 10.514 3.147 1.00 0.00 C ATOM 815 C GLY A 52 -11.459 11.174 2.406 1.00 0.00 C ATOM 816 O GLY A 52 -11.674 12.155 1.699 1.00 0.00 O ATOM 0 H GLY A 52 -11.281 9.416 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.113 9.801 2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.365 11.274 3.398 1.00 0.00 H new ATOM 820 N THR A 53 -10.232 10.679 2.582 1.00 0.00 N ATOM 821 CA THR A 53 -9.003 11.250 2.024 1.00 0.00 C ATOM 822 C THR A 53 -8.380 10.219 1.053 1.00 0.00 C ATOM 823 O THR A 53 -8.945 9.130 0.886 1.00 0.00 O ATOM 824 CB THR A 53 -8.094 11.697 3.196 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.856 12.181 4.287 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.170 12.857 2.828 1.00 0.00 C ATOM 0 H THR A 53 -10.060 9.840 3.136 1.00 0.00 H new ATOM 0 HA THR A 53 -9.179 12.146 1.429 1.00 0.00 H new ATOM 0 HB THR A 53 -7.522 10.803 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.021 11.451 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.559 13.123 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.523 12.559 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.768 13.717 2.527 1.00 0.00 H new ATOM 834 N PHE A 54 -7.272 10.532 0.373 1.00 0.00 N ATOM 835 CA PHE A 54 -6.650 9.714 -0.678 1.00 0.00 C ATOM 836 C PHE A 54 -5.204 9.340 -0.296 1.00 0.00 C ATOM 837 O PHE A 54 -4.362 9.107 -1.157 1.00 0.00 O ATOM 838 CB PHE A 54 -6.768 10.447 -2.036 1.00 0.00 C ATOM 839 CG PHE A 54 -6.457 9.588 -3.256 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.432 8.708 -3.760 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.181 9.614 -3.851 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.118 7.794 -4.784 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.873 8.724 -4.895 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.832 7.802 -5.349 1.00 0.00 C ATOM 0 H PHE A 54 -6.762 11.398 0.546 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.178 8.766 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.780 10.839 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.093 11.303 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.434 8.734 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.439 10.318 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.861 7.092 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.894 8.749 -5.351 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.580 7.101 -6.131 1.00 0.00 H new ATOM 854 N ILE A 55 -4.881 9.290 0.999 1.00 0.00 N ATOM 855 CA ILE A 55 -3.517 9.142 1.528 1.00 0.00 C ATOM 856 C ILE A 55 -2.996 7.691 1.362 1.00 0.00 C ATOM 857 O ILE A 55 -2.090 7.280 2.083 1.00 0.00 O ATOM 858 CB ILE A 55 -3.414 9.674 2.995 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.286 10.928 3.271 1.00 0.00 C ATOM 860 CG2 ILE A 55 -1.959 10.043 3.359 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.299 11.427 4.726 1.00 0.00 C ATOM 0 H ILE A 55 -5.584 9.353 1.735 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.852 9.768 0.932 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.781 8.850 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.936 11.739 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.311 10.707 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.922 10.409 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.326 9.161 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.601 10.820 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.939 12.306 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.682 10.641 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.285 11.688 5.030 1.00 0.00 H new ATOM 873 N ILE A 56 -3.561 6.866 0.472 1.00 0.00 N ATOM 874 CA ILE A 56 -3.015 5.594 0.007 1.00 0.00 C ATOM 875 C ILE A 56 -3.778 5.147 -1.251 1.00 0.00 C ATOM 876 O ILE A 56 -4.941 5.520 -1.425 1.00 0.00 O ATOM 877 CB ILE A 56 -3.151 4.546 1.135 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.304 3.282 0.880 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.618 4.180 1.386 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.423 2.997 2.090 1.00 0.00 C ATOM 0 H ILE A 56 -4.458 7.083 0.037 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.960 5.701 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.756 5.015 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.955 2.430 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.686 3.421 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.677 3.441 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.171 5.073 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.050 3.765 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.827 2.103 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.761 3.845 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.050 2.839 2.967 1.00 0.00 H new ATOM 892 N GLY A 57 -3.204 4.221 -2.027 1.00 0.00 N ATOM 893 CA GLY A 57 -3.946 3.394 -2.971 1.00 0.00 C ATOM 894 C GLY A 57 -2.993 2.543 -3.790 1.00 0.00 C ATOM 895 O GLY A 57 -2.470 3.023 -4.796 1.00 0.00 O ATOM 0 H GLY A 57 -2.203 4.027 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.645 2.754 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.538 4.027 -3.632 1.00 0.00 H new ATOM 899 N PHE A 58 -2.703 1.322 -3.329 1.00 0.00 N ATOM 900 CA PHE A 58 -1.723 0.447 -3.978 1.00 0.00 C ATOM 901 C PHE A 58 -2.397 -0.450 -5.019 1.00 0.00 C ATOM 902 O PHE A 58 -3.613 -0.652 -4.983 1.00 0.00 O ATOM 903 CB PHE A 58 -0.859 -0.328 -2.953 1.00 0.00 C ATOM 904 CG PHE A 58 -1.334 -1.615 -2.290 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.693 -1.897 -2.052 1.00 0.00 C ATOM 906 CD2 PHE A 58 -0.360 -2.545 -1.873 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.073 -3.120 -1.463 1.00 0.00 C ATOM 908 CE2 PHE A 58 -0.748 -3.776 -1.307 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.106 -4.074 -1.102 1.00 0.00 C ATOM 0 H PHE A 58 -3.138 0.915 -2.501 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.017 1.074 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.081 -0.563 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.628 0.370 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.448 -1.173 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.689 -2.313 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.118 -3.326 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.006 -4.497 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.402 -5.020 -0.674 1.00 0.00 H new ATOM 919 N SER A 59 -1.611 -1.030 -5.928 1.00 0.00 N ATOM 920 CA SER A 59 -2.067 -2.140 -6.746 1.00 0.00 C ATOM 921 C SER A 59 -0.892 -3.005 -7.167 1.00 0.00 C ATOM 922 O SER A 59 0.256 -2.556 -7.246 1.00 0.00 O ATOM 923 CB SER A 59 -2.839 -1.652 -7.976 1.00 0.00 C ATOM 924 OG SER A 59 -3.514 -2.725 -8.609 1.00 0.00 O ATOM 0 H SER A 59 -0.650 -0.742 -6.112 1.00 0.00 H new ATOM 0 HA SER A 59 -2.749 -2.739 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.559 -0.889 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.151 -1.184 -8.680 1.00 0.00 H new ATOM 0 HG SER A 59 -3.586 -2.545 -9.570 1.00 0.00 H new ATOM 930 N THR A 60 -1.203 -4.259 -7.453 1.00 0.00 N ATOM 931 CA THR A 60 -0.314 -5.291 -7.939 1.00 0.00 C ATOM 932 C THR A 60 0.045 -5.019 -9.401 1.00 0.00 C ATOM 933 O THR A 60 -0.702 -4.362 -10.132 1.00 0.00 O ATOM 934 CB THR A 60 -1.002 -6.655 -7.746 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.225 -6.739 -8.451 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.319 -6.912 -6.272 1.00 0.00 C ATOM 0 H THR A 60 -2.157 -4.603 -7.341 1.00 0.00 H new ATOM 0 HA THR A 60 0.622 -5.297 -7.380 1.00 0.00 H new ATOM 0 HB THR A 60 -0.299 -7.395 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.913 -6.231 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.804 -7.882 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.395 -6.905 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.984 -6.132 -5.902 1.00 0.00 H new ATOM 944 N SER A 61 1.180 -5.547 -9.854 1.00 0.00 N ATOM 945 CA SER A 61 1.700 -5.372 -11.200 1.00 0.00 C ATOM 946 C SER A 61 2.213 -6.715 -11.736 1.00 0.00 C ATOM 947 O SER A 61 2.129 -7.747 -11.058 1.00 0.00 O ATOM 948 CB SER A 61 2.789 -4.286 -11.156 1.00 0.00 C ATOM 949 OG SER A 61 2.484 -3.231 -12.041 1.00 0.00 O ATOM 0 H SER A 61 1.781 -6.128 -9.270 1.00 0.00 H new ATOM 0 HA SER A 61 0.922 -5.042 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.882 -3.899 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.753 -4.721 -11.421 1.00 0.00 H new ATOM 0 HG SER A 61 3.290 -2.698 -12.205 1.00 0.00 H new ATOM 955 N LYS A 62 2.743 -6.712 -12.963 1.00 0.00 N ATOM 956 CA LYS A 62 3.217 -7.896 -13.676 1.00 0.00 C ATOM 957 C LYS A 62 4.147 -8.741 -12.815 1.00 0.00 C ATOM 958 O LYS A 62 3.860 -9.913 -12.600 1.00 0.00 O ATOM 959 CB LYS A 62 3.879 -7.476 -14.999 1.00 0.00 C ATOM 960 CG LYS A 62 2.925 -7.596 -16.202 1.00 0.00 C ATOM 961 CD LYS A 62 3.110 -8.905 -16.991 1.00 0.00 C ATOM 962 CE LYS A 62 4.461 -8.930 -17.728 1.00 0.00 C ATOM 963 NZ LYS A 62 4.823 -10.282 -18.200 1.00 0.00 N ATOM 0 H LYS A 62 2.856 -5.854 -13.503 1.00 0.00 H new ATOM 0 HA LYS A 62 2.360 -8.528 -13.907 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.226 -6.446 -14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.758 -8.096 -15.174 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.896 -7.534 -15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.085 -6.750 -16.871 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.050 -9.754 -16.310 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.299 -9.016 -17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.419 -8.251 -18.579 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.241 -8.560 -17.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.740 -10.245 -18.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.890 -10.927 -17.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.094 -10.627 -18.857 1.00 0.00 H new ATOM 977 N HIS A 63 5.264 -8.175 -12.363 1.00 0.00 N ATOM 978 CA HIS A 63 6.311 -8.889 -11.625 1.00 0.00 C ATOM 979 C HIS A 63 6.732 -8.112 -10.366 1.00 0.00 C ATOM 980 O HIS A 63 7.782 -8.376 -9.776 1.00 0.00 O ATOM 981 CB HIS A 63 7.478 -9.225 -12.576 1.00 0.00 C ATOM 982 CG HIS A 63 7.243 -10.495 -13.364 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.907 -11.685 -13.182 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.322 -10.701 -14.355 1.00 0.00 C ATOM 985 CE1 HIS A 63 7.402 -12.584 -14.039 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.398 -12.043 -14.745 1.00 0.00 N ATOM 0 H HIS A 63 5.474 -7.186 -12.501 1.00 0.00 H new ATOM 0 HA HIS A 63 5.923 -9.838 -11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.628 -8.396 -13.268 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.396 -9.327 -11.997 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.654 -9.958 -14.764 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.754 -13.600 -14.146 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.808 -12.515 -15.430 1.00 0.00 H new ATOM 994 N HIS A 64 5.934 -7.132 -9.947 1.00 0.00 N ATOM 995 CA HIS A 64 6.182 -6.302 -8.783 1.00 0.00 C ATOM 996 C HIS A 64 4.849 -5.816 -8.213 1.00 0.00 C ATOM 997 O HIS A 64 3.804 -6.006 -8.835 1.00 0.00 O ATOM 998 CB HIS A 64 7.090 -5.121 -9.171 1.00 0.00 C ATOM 999 CG HIS A 64 6.621 -4.262 -10.325 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.998 -4.387 -11.646 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.835 -3.142 -10.220 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.411 -3.388 -12.326 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.701 -2.601 -11.501 1.00 0.00 N ATOM 0 H HIS A 64 5.068 -6.890 -10.429 1.00 0.00 H new ATOM 0 HA HIS A 64 6.693 -6.881 -8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.211 -4.482 -8.297 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.076 -5.515 -9.417 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.399 -2.750 -9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.498 -3.238 -13.392 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.168 -1.771 -11.759 1.00 0.00 H new ATOM 1011 N LEU A 65 4.898 -5.148 -7.063 1.00 0.00 N ATOM 1012 CA LEU A 65 3.784 -4.426 -6.446 1.00 0.00 C ATOM 1013 C LEU A 65 4.100 -2.922 -6.500 1.00 0.00 C ATOM 1014 O LEU A 65 5.266 -2.542 -6.652 1.00 0.00 O ATOM 1015 CB LEU A 65 3.591 -4.988 -5.021 1.00 0.00 C ATOM 1016 CG LEU A 65 2.643 -4.219 -4.080 1.00 0.00 C ATOM 1017 CD1 LEU A 65 1.199 -4.077 -4.574 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.599 -4.933 -2.732 1.00 0.00 C ATOM 0 H LEU A 65 5.753 -5.092 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 65 2.838 -4.562 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.223 -6.010 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.570 -5.041 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 65 3.053 -3.211 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.616 -3.521 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.190 -3.543 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.762 -5.066 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.931 -4.397 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.234 -5.951 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.600 -4.962 -2.303 1.00 0.00 H new ATOM 1030 N SER A 66 3.069 -2.074 -6.419 1.00 0.00 N ATOM 1031 CA SER A 66 3.144 -0.631 -6.637 1.00 0.00 C ATOM 1032 C SER A 66 2.356 0.112 -5.552 1.00 0.00 C ATOM 1033 O SER A 66 1.137 -0.028 -5.521 1.00 0.00 O ATOM 1034 CB SER A 66 2.644 -0.259 -8.054 1.00 0.00 C ATOM 1035 OG SER A 66 2.001 -1.300 -8.771 1.00 0.00 O ATOM 0 H SER A 66 2.126 -2.389 -6.191 1.00 0.00 H new ATOM 0 HA SER A 66 4.187 -0.323 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.952 0.579 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.495 0.089 -8.640 1.00 0.00 H new ATOM 0 HG SER A 66 1.337 -1.732 -8.195 1.00 0.00 H new ATOM 1041 N VAL A 67 3.034 0.847 -4.662 1.00 0.00 N ATOM 1042 CA VAL A 67 2.481 1.419 -3.414 1.00 0.00 C ATOM 1043 C VAL A 67 3.020 2.819 -3.079 1.00 0.00 C ATOM 1044 O VAL A 67 4.161 3.113 -3.423 1.00 0.00 O ATOM 1045 CB VAL A 67 2.755 0.401 -2.281 1.00 0.00 C ATOM 1046 CG1 VAL A 67 4.166 -0.185 -2.337 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.508 0.929 -0.854 1.00 0.00 C ATOM 0 H VAL A 67 4.021 1.072 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 67 1.410 1.578 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 67 2.017 -0.376 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.299 -0.892 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.309 -0.700 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.897 0.618 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.728 0.143 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.155 1.785 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.466 1.233 -0.754 1.00 0.00 H new ATOM 1057 N SER A 68 2.242 3.657 -2.380 1.00 0.00 N ATOM 1058 CA SER A 68 2.565 5.002 -1.899 1.00 0.00 C ATOM 1059 C SER A 68 1.404 5.529 -1.032 1.00 0.00 C ATOM 1060 O SER A 68 0.317 4.941 -1.057 1.00 0.00 O ATOM 1061 CB SER A 68 2.817 5.906 -3.115 1.00 0.00 C ATOM 1062 OG SER A 68 2.514 7.277 -2.953 1.00 0.00 O ATOM 0 H SER A 68 1.294 3.387 -2.117 1.00 0.00 H new ATOM 0 HA SER A 68 3.462 4.989 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.867 5.819 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.233 5.524 -3.952 1.00 0.00 H new ATOM 0 HG SER A 68 2.393 7.691 -3.833 1.00 0.00 H new ATOM 1068 N PRO A 69 1.630 6.608 -0.254 1.00 0.00 N ATOM 1069 CA PRO A 69 0.583 7.408 0.364 1.00 0.00 C ATOM 1070 C PRO A 69 -0.009 8.466 -0.591 1.00 0.00 C ATOM 1071 O PRO A 69 -1.212 8.490 -0.812 1.00 0.00 O ATOM 1072 CB PRO A 69 1.264 8.061 1.570 1.00 0.00 C ATOM 1073 CG PRO A 69 2.714 8.240 1.110 1.00 0.00 C ATOM 1074 CD PRO A 69 2.944 7.027 0.216 1.00 0.00 C ATOM 0 HA PRO A 69 -0.272 6.792 0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.803 9.016 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.199 7.431 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.852 9.174 0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.405 8.257 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.594 7.280 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.433 6.225 0.768 1.00 0.00 H new ATOM 1082 N GLU A 70 0.810 9.349 -1.171 1.00 0.00 N ATOM 1083 CA GLU A 70 0.425 10.469 -2.021 1.00 0.00 C ATOM 1084 C GLU A 70 1.615 10.827 -2.918 1.00 0.00 C ATOM 1085 O GLU A 70 1.619 10.583 -4.126 1.00 0.00 O ATOM 1086 CB GLU A 70 0.122 11.724 -1.183 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.180 11.809 -0.405 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.389 13.258 0.078 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -0.427 14.047 0.174 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.544 13.661 0.360 1.00 0.00 O ATOM 0 H GLU A 70 1.821 9.293 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.458 10.175 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.937 11.845 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.157 12.581 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.014 11.499 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.153 11.129 0.447 1.00 0.00 H new ATOM 1097 N GLU A 71 2.614 11.462 -2.298 1.00 0.00 N ATOM 1098 CA GLU A 71 3.737 12.114 -2.944 1.00 0.00 C ATOM 1099 C GLU A 71 4.929 12.204 -1.994 1.00 0.00 C ATOM 1100 O GLU A 71 6.019 11.803 -2.389 1.00 0.00 O ATOM 1101 CB GLU A 71 3.328 13.485 -3.521 1.00 0.00 C ATOM 1102 CG GLU A 71 2.836 14.498 -2.474 1.00 0.00 C ATOM 1103 CD GLU A 71 2.269 15.766 -3.115 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.074 16.571 -3.656 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.035 15.941 -3.122 1.00 0.00 O ATOM 0 H GLU A 71 2.655 11.534 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 71 4.053 11.505 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.181 13.912 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.541 13.334 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.070 14.033 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.661 14.765 -1.814 1.00 0.00 H new ATOM 1112 N ILE A 72 4.741 12.630 -0.737 1.00 0.00 N ATOM 1113 CA ILE A 72 5.851 12.820 0.198 1.00 0.00 C ATOM 1114 C ILE A 72 6.665 11.535 0.344 1.00 0.00 C ATOM 1115 O ILE A 72 7.892 11.575 0.306 1.00 0.00 O ATOM 1116 CB ILE A 72 5.331 13.354 1.548 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.459 13.670 2.542 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.411 12.369 2.290 1.00 0.00 C ATOM 1119 CD1 ILE A 72 7.373 14.838 2.228 1.00 0.00 C ATOM 0 H ILE A 72 3.825 12.850 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 72 6.530 13.573 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 72 4.786 14.252 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.005 13.853 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.078 12.778 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.085 12.814 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.541 12.148 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.955 11.447 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.118 14.939 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.874 14.662 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.785 15.754 2.165 1.00 0.00 H new ATOM 1131 N GLY A 73 5.999 10.381 0.442 1.00 0.00 N ATOM 1132 CA GLY A 73 6.639 9.076 0.567 1.00 0.00 C ATOM 1133 C GLY A 73 7.588 8.731 -0.582 1.00 0.00 C ATOM 1134 O GLY A 73 8.418 7.837 -0.447 1.00 0.00 O ATOM 0 H GLY A 73 4.980 10.331 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.195 9.044 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.867 8.309 0.628 1.00 0.00 H new ATOM 1138 N ILE A 74 7.496 9.449 -1.695 1.00 0.00 N ATOM 1139 CA ILE A 74 8.248 9.231 -2.915 1.00 0.00 C ATOM 1140 C ILE A 74 9.163 10.433 -3.194 1.00 0.00 C ATOM 1141 O ILE A 74 10.015 10.373 -4.080 1.00 0.00 O ATOM 1142 CB ILE A 74 7.233 8.983 -4.042 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.177 7.897 -3.702 1.00 0.00 C ATOM 1144 CG2 ILE A 74 7.925 8.590 -5.345 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.775 6.504 -3.442 1.00 0.00 C ATOM 0 H ILE A 74 6.858 10.242 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 74 8.904 8.364 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 74 6.715 9.934 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.618 8.212 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.464 7.828 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.176 8.423 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.596 9.391 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.498 7.676 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.974 5.801 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.310 6.166 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.466 6.556 -2.600 1.00 0.00 H new ATOM 1157 N SER A 75 9.043 11.505 -2.414 1.00 0.00 N ATOM 1158 CA SER A 75 9.945 12.633 -2.471 1.00 0.00 C ATOM 1159 C SER A 75 10.957 12.550 -1.322 1.00 0.00 C ATOM 1160 O SER A 75 12.161 12.446 -1.542 1.00 0.00 O ATOM 1161 CB SER A 75 9.121 13.914 -2.386 1.00 0.00 C ATOM 1162 OG SER A 75 8.410 14.129 -3.588 1.00 0.00 O ATOM 0 H SER A 75 8.304 11.608 -1.718 1.00 0.00 H new ATOM 0 HA SER A 75 10.504 12.627 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.423 13.849 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.777 14.762 -2.188 1.00 0.00 H new ATOM 0 HG SER A 75 7.886 14.954 -3.515 1.00 0.00 H new ATOM 1168 N GLN A 76 10.454 12.579 -0.088 1.00 0.00 N ATOM 1169 CA GLN A 76 11.176 12.674 1.166 1.00 0.00 C ATOM 1170 C GLN A 76 11.665 11.294 1.579 1.00 0.00 C ATOM 1171 O GLN A 76 12.769 11.155 2.105 1.00 0.00 O ATOM 1172 CB GLN A 76 10.191 13.273 2.193 1.00 0.00 C ATOM 1173 CG GLN A 76 10.576 13.129 3.665 1.00 0.00 C ATOM 1174 CD GLN A 76 9.788 13.974 4.667 1.00 0.00 C ATOM 1175 OE1 GLN A 76 9.793 15.198 4.595 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.131 13.383 5.649 1.00 0.00 N ATOM 0 H GLN A 76 9.447 12.532 0.065 1.00 0.00 H new ATOM 0 HA GLN A 76 12.059 13.308 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.071 14.334 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.218 12.805 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.467 12.081 3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.632 13.378 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.122 12.365 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.633 13.944 6.340 1.00 0.00 H new ATOM 1185 N PHE A 77 10.834 10.266 1.380 1.00 0.00 N ATOM 1186 CA PHE A 77 11.131 8.932 1.882 1.00 0.00 C ATOM 1187 C PHE A 77 11.714 8.019 0.790 1.00 0.00 C ATOM 1188 O PHE A 77 12.224 6.941 1.110 1.00 0.00 O ATOM 1189 CB PHE A 77 9.930 8.326 2.623 1.00 0.00 C ATOM 1190 CG PHE A 77 9.300 9.147 3.747 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.419 10.193 3.427 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.476 8.805 5.106 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.684 10.846 4.421 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.777 9.508 6.114 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.878 10.531 5.761 1.00 0.00 C ATOM 0 H PHE A 77 9.951 10.338 0.874 1.00 0.00 H new ATOM 0 HA PHE A 77 11.921 9.026 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.154 8.114 1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.242 7.369 3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.308 10.498 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.147 8.003 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.961 11.600 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.933 9.260 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.341 11.069 6.528 1.00 0.00 H new ATOM 1205 N ALA A 78 11.728 8.454 -0.480 1.00 0.00 N ATOM 1206 CA ALA A 78 12.316 7.686 -1.579 1.00 0.00 C ATOM 1207 C ALA A 78 13.808 7.442 -1.387 1.00 0.00 C ATOM 1208 O ALA A 78 14.314 6.412 -1.826 1.00 0.00 O ATOM 1209 CB ALA A 78 12.091 8.390 -2.914 1.00 0.00 C ATOM 0 H ALA A 78 11.331 9.348 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 78 11.813 6.719 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.537 7.801 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.021 8.496 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.554 9.376 -2.888 1.00 0.00 H new ATOM 1215 N ASP A 79 14.513 8.348 -0.710 1.00 0.00 N ATOM 1216 CA ASP A 79 15.934 8.197 -0.414 1.00 0.00 C ATOM 1217 C ASP A 79 16.157 6.904 0.365 1.00 0.00 C ATOM 1218 O ASP A 79 16.989 6.065 0.008 1.00 0.00 O ATOM 1219 CB ASP A 79 16.428 9.371 0.438 1.00 0.00 C ATOM 1220 CG ASP A 79 16.734 10.617 -0.383 1.00 0.00 C ATOM 1221 OD1 ASP A 79 15.784 11.142 -1.015 1.00 0.00 O ATOM 1222 OD2 ASP A 79 17.918 10.996 -0.463 1.00 0.00 O ATOM 0 H ASP A 79 14.110 9.213 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 79 16.484 8.173 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.673 9.612 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.326 9.069 0.977 1.00 0.00 H new ATOM 1227 N ALA A 80 15.377 6.755 1.433 1.00 0.00 N ATOM 1228 CA ALA A 80 15.430 5.647 2.362 1.00 0.00 C ATOM 1229 C ALA A 80 14.929 4.345 1.711 1.00 0.00 C ATOM 1230 O ALA A 80 15.398 3.266 2.084 1.00 0.00 O ATOM 1231 CB ALA A 80 14.610 6.066 3.588 1.00 0.00 C ATOM 0 H ALA A 80 14.661 7.439 1.679 1.00 0.00 H new ATOM 0 HA ALA A 80 16.454 5.426 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.618 5.261 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.045 6.963 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.583 6.272 3.286 1.00 0.00 H new ATOM 1237 N ILE A 81 14.019 4.426 0.729 1.00 0.00 N ATOM 1238 CA ILE A 81 13.638 3.296 -0.124 1.00 0.00 C ATOM 1239 C ILE A 81 14.851 2.873 -0.963 1.00 0.00 C ATOM 1240 O ILE A 81 15.157 1.684 -1.042 1.00 0.00 O ATOM 1241 CB ILE A 81 12.413 3.650 -1.014 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.141 3.861 -0.162 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.132 2.554 -2.067 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.008 4.595 -0.896 1.00 0.00 C ATOM 0 H ILE A 81 13.523 5.288 0.504 1.00 0.00 H new ATOM 0 HA ILE A 81 13.333 2.456 0.500 1.00 0.00 H new ATOM 0 HB ILE A 81 12.665 4.578 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.774 2.890 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.405 4.425 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.269 2.840 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.002 2.439 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.927 1.609 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.152 4.703 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.354 5.581 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.713 4.022 -1.775 1.00 0.00 H new ATOM 1256 N ALA A 82 15.529 3.821 -1.615 1.00 0.00 N ATOM 1257 CA ALA A 82 16.601 3.521 -2.557 1.00 0.00 C ATOM 1258 C ALA A 82 17.747 2.799 -1.848 1.00 0.00 C ATOM 1259 O ALA A 82 18.207 1.744 -2.289 1.00 0.00 O ATOM 1260 CB ALA A 82 17.086 4.821 -3.199 1.00 0.00 C ATOM 0 H ALA A 82 15.347 4.818 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 82 16.225 2.860 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.888 4.602 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.259 5.297 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.457 5.493 -2.425 1.00 0.00 H new ATOM 1266 N GLN A 83 18.180 3.336 -0.708 1.00 0.00 N ATOM 1267 CA GLN A 83 19.241 2.761 0.114 1.00 0.00 C ATOM 1268 C GLN A 83 18.874 1.375 0.644 1.00 0.00 C ATOM 1269 O GLN A 83 19.768 0.578 0.925 1.00 0.00 O ATOM 1270 CB GLN A 83 19.524 3.711 1.269 1.00 0.00 C ATOM 1271 CG GLN A 83 20.300 4.942 0.784 1.00 0.00 C ATOM 1272 CD GLN A 83 20.237 6.057 1.813 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.809 5.956 2.893 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.556 7.137 1.504 1.00 0.00 N ATOM 0 H GLN A 83 17.795 4.199 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 83 20.130 2.634 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.586 4.024 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.097 3.194 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.339 4.672 0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.885 5.290 -0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.087 7.203 0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.497 7.910 2.167 1.00 0.00 H new ATOM 1283 N ALA A 84 17.581 1.061 0.766 1.00 0.00 N ATOM 1284 CA ALA A 84 17.141 -0.266 1.164 1.00 0.00 C ATOM 1285 C ALA A 84 17.248 -1.288 0.015 1.00 0.00 C ATOM 1286 O ALA A 84 16.971 -2.471 0.225 1.00 0.00 O ATOM 1287 CB ALA A 84 15.712 -0.190 1.700 1.00 0.00 C ATOM 0 H ALA A 84 16.821 1.718 0.592 1.00 0.00 H new ATOM 0 HA ALA A 84 17.805 -0.620 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.382 -1.185 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.682 0.476 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.052 0.193 0.922 1.00 0.00 H new ATOM 1293 N GLY A 85 17.627 -0.869 -1.197 1.00 0.00 N ATOM 1294 CA GLY A 85 17.777 -1.745 -2.351 1.00 0.00 C ATOM 1295 C GLY A 85 16.512 -1.821 -3.206 1.00 0.00 C ATOM 1296 O GLY A 85 16.257 -2.854 -3.833 1.00 0.00 O ATOM 0 H GLY A 85 17.841 0.107 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.604 -1.390 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.040 -2.746 -2.010 1.00 0.00 H new ATOM 1300 N TYR A 86 15.697 -0.760 -3.235 1.00 0.00 N ATOM 1301 CA TYR A 86 14.417 -0.722 -3.941 1.00 0.00 C ATOM 1302 C TYR A 86 14.345 0.475 -4.910 1.00 0.00 C ATOM 1303 O TYR A 86 15.318 1.221 -5.055 1.00 0.00 O ATOM 1304 CB TYR A 86 13.278 -0.776 -2.901 1.00 0.00 C ATOM 1305 CG TYR A 86 13.116 -2.098 -2.155 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.084 -3.313 -2.868 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.930 -2.125 -0.754 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.879 -4.530 -2.201 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.680 -3.340 -0.088 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.646 -4.549 -0.813 1.00 0.00 C ATOM 1311 OH TYR A 86 12.392 -5.737 -0.204 1.00 0.00 O ATOM 0 H TYR A 86 15.917 0.114 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 86 14.306 -1.594 -4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.444 0.014 -2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.339 -0.550 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.219 -3.307 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.980 -1.206 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.900 -5.457 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.514 -3.346 0.979 1.00 0.00 H new ATOM 0 HH TYR A 86 11.478 -5.735 0.149 1.00 0.00 H new ATOM 1321 N SER A 87 13.215 0.618 -5.618 1.00 0.00 N ATOM 1322 CA SER A 87 12.987 1.578 -6.702 1.00 0.00 C ATOM 1323 C SER A 87 11.733 2.418 -6.438 1.00 0.00 C ATOM 1324 O SER A 87 10.834 1.987 -5.709 1.00 0.00 O ATOM 1325 CB SER A 87 12.816 0.819 -8.027 1.00 0.00 C ATOM 1326 OG SER A 87 14.035 0.703 -8.728 1.00 0.00 O ATOM 0 H SER A 87 12.396 0.037 -5.439 1.00 0.00 H new ATOM 0 HA SER A 87 13.847 2.245 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.416 -0.175 -7.827 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.087 1.336 -8.650 1.00 0.00 H new ATOM 0 HG SER A 87 13.886 0.213 -9.564 1.00 0.00 H new ATOM 1332 N ALA A 88 11.639 3.590 -7.081 1.00 0.00 N ATOM 1333 CA ALA A 88 10.535 4.541 -6.956 1.00 0.00 C ATOM 1334 C ALA A 88 10.136 5.103 -8.331 1.00 0.00 C ATOM 1335 O ALA A 88 10.840 4.874 -9.317 1.00 0.00 O ATOM 1336 CB ALA A 88 10.933 5.646 -5.971 1.00 0.00 C ATOM 0 H ALA A 88 12.360 3.911 -7.727 1.00 0.00 H new ATOM 0 HA ALA A 88 9.654 4.033 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.114 6.359 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.149 5.205 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.820 6.161 -6.341 1.00 0.00 H new ATOM 1342 N THR A 89 9.013 5.819 -8.394 1.00 0.00 N ATOM 1343 CA THR A 89 8.396 6.427 -9.582 1.00 0.00 C ATOM 1344 C THR A 89 7.941 7.845 -9.206 1.00 0.00 C ATOM 1345 O THR A 89 8.399 8.352 -8.187 1.00 0.00 O ATOM 1346 CB THR A 89 7.231 5.569 -10.100 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.160 5.645 -9.192 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.585 4.098 -10.293 1.00 0.00 C ATOM 0 H THR A 89 8.466 6.006 -7.553 1.00 0.00 H new ATOM 0 HA THR A 89 9.118 6.482 -10.397 1.00 0.00 H new ATOM 0 HB THR A 89 6.970 5.971 -11.079 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.375 5.127 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.712 3.559 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.396 4.011 -11.016 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.901 3.672 -9.341 1.00 0.00 H new ATOM 1356 N LYS A 90 7.071 8.519 -9.969 1.00 0.00 N ATOM 1357 CA LYS A 90 6.409 9.721 -9.496 1.00 0.00 C ATOM 1358 C LYS A 90 5.076 9.262 -8.941 1.00 0.00 C ATOM 1359 O LYS A 90 4.042 9.375 -9.605 1.00 0.00 O ATOM 1360 CB LYS A 90 6.200 10.735 -10.614 1.00 0.00 C ATOM 1361 CG LYS A 90 7.467 11.446 -11.080 1.00 0.00 C ATOM 1362 CD LYS A 90 8.435 10.558 -11.863 1.00 0.00 C ATOM 1363 CE LYS A 90 9.472 11.440 -12.548 1.00 0.00 C ATOM 1364 NZ LYS A 90 10.444 10.621 -13.293 1.00 0.00 N ATOM 0 H LYS A 90 6.815 8.244 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 90 7.017 10.225 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.751 10.226 -11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.484 11.484 -10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.185 12.294 -11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.985 11.849 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.925 9.852 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.892 9.970 -12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.975 12.132 -13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.992 12.043 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.141 11.241 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.931 9.978 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.946 10.065 -14.017 1.00 0.00 H new ATOM 1378 N GLY A 91 5.106 8.687 -7.743 1.00 0.00 N ATOM 1379 CA GLY A 91 3.879 8.486 -6.989 1.00 0.00 C ATOM 1380 C GLY A 91 3.653 7.068 -6.515 1.00 0.00 C ATOM 1381 O GLY A 91 2.577 6.779 -6.011 1.00 0.00 O ATOM 0 H GLY A 91 5.954 8.357 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.889 9.147 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.034 8.786 -7.609 1.00 0.00 H new ATOM 1385 N LEU A 92 4.617 6.168 -6.693 1.00 0.00 N ATOM 1386 CA LEU A 92 4.593 4.834 -6.088 1.00 0.00 C ATOM 1387 C LEU A 92 5.986 4.226 -6.072 1.00 0.00 C ATOM 1388 O LEU A 92 6.843 4.641 -6.856 1.00 0.00 O ATOM 1389 CB LEU A 92 3.511 3.910 -6.699 1.00 0.00 C ATOM 1390 CG LEU A 92 3.154 4.095 -8.191 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.015 3.232 -9.113 1.00 0.00 C ATOM 1392 CD2 LEU A 92 1.679 3.755 -8.401 1.00 0.00 C ATOM 0 H LEU A 92 5.443 6.343 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 92 4.287 4.946 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.835 2.879 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.597 4.038 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 92 3.350 5.136 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.722 3.402 -10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.064 3.498 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.874 2.180 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.422 3.884 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.499 2.721 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.063 4.417 -7.793 1.00 0.00 H new ATOM 1404 N PHE A 93 6.228 3.236 -5.211 1.00 0.00 N ATOM 1405 CA PHE A 93 7.507 2.548 -5.102 1.00 0.00 C ATOM 1406 C PHE A 93 7.302 1.081 -5.445 1.00 0.00 C ATOM 1407 O PHE A 93 6.170 0.585 -5.450 1.00 0.00 O ATOM 1408 CB PHE A 93 8.177 2.815 -3.744 1.00 0.00 C ATOM 1409 CG PHE A 93 7.532 2.185 -2.527 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.794 0.838 -2.220 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.702 2.944 -1.681 1.00 0.00 C ATOM 1412 CE1 PHE A 93 7.210 0.244 -1.089 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.109 2.348 -0.556 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.351 0.993 -0.270 1.00 0.00 C ATOM 0 H PHE A 93 5.525 2.887 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 93 8.222 2.943 -5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.208 2.467 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.213 3.893 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.446 0.258 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.521 3.986 -1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.422 -0.788 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.468 2.930 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.875 0.528 0.581 1.00 0.00 H new ATOM 1424 N ARG A 94 8.376 0.413 -5.861 1.00 0.00 N ATOM 1425 CA ARG A 94 8.320 -0.834 -6.591 1.00 0.00 C ATOM 1426 C ARG A 94 9.141 -1.859 -5.856 1.00 0.00 C ATOM 1427 O ARG A 94 10.353 -1.679 -5.713 1.00 0.00 O ATOM 1428 CB ARG A 94 8.823 -0.607 -8.021 1.00 0.00 C ATOM 1429 CG ARG A 94 8.721 -1.874 -8.862 1.00 0.00 C ATOM 1430 CD ARG A 94 9.920 -2.829 -8.729 1.00 0.00 C ATOM 1431 NE ARG A 94 10.561 -3.092 -10.021 1.00 0.00 N ATOM 1432 CZ ARG A 94 11.642 -3.856 -10.212 1.00 0.00 C ATOM 1433 NH1 ARG A 94 12.179 -4.555 -9.215 1.00 0.00 N ATOM 1434 NH2 ARG A 94 12.199 -3.913 -11.411 1.00 0.00 N ATOM 0 H ARG A 94 9.328 0.739 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 94 7.297 -1.203 -6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.243 0.188 -8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.860 -0.271 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.814 -2.409 -8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.613 -1.592 -9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.650 -2.400 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.587 -3.770 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 94 10.147 -2.655 -10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.766 -4.514 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.004 -5.131 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.804 -3.376 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.024 -4.494 -11.563 1.00 0.00 H new ATOM 1448 N ILE A 95 8.479 -2.936 -5.454 1.00 0.00 N ATOM 1449 CA ILE A 95 9.111 -4.056 -4.757 1.00 0.00 C ATOM 1450 C ILE A 95 8.895 -5.290 -5.635 1.00 0.00 C ATOM 1451 O ILE A 95 7.809 -5.423 -6.207 1.00 0.00 O ATOM 1452 CB ILE A 95 8.457 -4.212 -3.357 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.415 -2.888 -2.561 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.134 -5.294 -2.497 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.783 -2.224 -2.365 1.00 0.00 C ATOM 0 H ILE A 95 7.478 -3.061 -5.603 1.00 0.00 H new ATOM 0 HA ILE A 95 10.178 -3.904 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 95 7.434 -4.524 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.756 -2.189 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.974 -3.080 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.633 -5.357 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.066 -6.257 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.182 -5.036 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.662 -1.302 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.442 -2.901 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.220 -1.996 -3.337 1.00 0.00 H new ATOM 1467 N PRO A 96 9.854 -6.224 -5.743 1.00 0.00 N ATOM 1468 CA PRO A 96 9.655 -7.441 -6.515 1.00 0.00 C ATOM 1469 C PRO A 96 8.798 -8.417 -5.711 1.00 0.00 C ATOM 1470 O PRO A 96 8.843 -8.417 -4.480 1.00 0.00 O ATOM 1471 CB PRO A 96 11.062 -8.002 -6.737 1.00 0.00 C ATOM 1472 CG PRO A 96 11.804 -7.569 -5.475 1.00 0.00 C ATOM 1473 CD PRO A 96 11.205 -6.190 -5.194 1.00 0.00 C ATOM 0 HA PRO A 96 9.142 -7.266 -7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.052 -9.086 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.523 -7.594 -7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.636 -8.260 -4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.881 -7.518 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.187 -5.982 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.797 -5.404 -5.662 1.00 0.00 H new ATOM 1481 N TRP A 97 8.104 -9.330 -6.390 1.00 0.00 N ATOM 1482 CA TRP A 97 7.410 -10.436 -5.717 1.00 0.00 C ATOM 1483 C TRP A 97 8.313 -11.342 -4.856 1.00 0.00 C ATOM 1484 O TRP A 97 7.805 -12.141 -4.068 1.00 0.00 O ATOM 1485 CB TRP A 97 6.686 -11.291 -6.760 1.00 0.00 C ATOM 1486 CG TRP A 97 5.529 -10.628 -7.443 1.00 0.00 C ATOM 1487 CD1 TRP A 97 5.292 -10.631 -8.772 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.404 -9.923 -6.840 1.00 0.00 C ATOM 1489 NE1 TRP A 97 4.130 -9.931 -9.044 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.552 -9.456 -7.884 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.991 -9.674 -5.513 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.380 -8.733 -7.624 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.805 -8.976 -5.240 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.009 -8.498 -6.290 1.00 0.00 C ATOM 0 H TRP A 97 8.005 -9.329 -7.405 1.00 0.00 H new ATOM 0 HA TRP A 97 6.712 -9.967 -5.024 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.407 -11.597 -7.518 1.00 0.00 H new ATOM 0 HB3 TRP A 97 6.328 -12.199 -6.275 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.916 -11.109 -9.513 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.750 -9.785 -9.979 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.599 -10.027 -4.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.772 -8.363 -8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.504 -8.806 -4.217 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.106 -7.947 -6.072 1.00 0.00 H new ATOM 1505 N ASN A 98 9.632 -11.251 -5.036 1.00 0.00 N ATOM 1506 CA ASN A 98 10.637 -12.053 -4.344 1.00 0.00 C ATOM 1507 C ASN A 98 10.778 -11.701 -2.861 1.00 0.00 C ATOM 1508 O ASN A 98 10.895 -12.605 -2.038 1.00 0.00 O ATOM 1509 CB ASN A 98 11.999 -11.871 -5.033 1.00 0.00 C ATOM 1510 CG ASN A 98 13.058 -12.805 -4.450 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.196 -13.948 -4.879 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.879 -12.319 -3.539 1.00 0.00 N ATOM 0 H ASN A 98 10.043 -10.590 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 98 10.302 -13.089 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.895 -12.061 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.326 -10.837 -4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.641 -12.894 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.751 -11.368 -3.193 1.00 0.00 H new ATOM 1519 N ASP A 99 10.845 -10.411 -2.525 1.00 0.00 N ATOM 1520 CA ASP A 99 11.327 -9.933 -1.221 1.00 0.00 C ATOM 1521 C ASP A 99 10.153 -9.427 -0.375 1.00 0.00 C ATOM 1522 O ASP A 99 9.095 -9.122 -0.934 1.00 0.00 O ATOM 1523 CB ASP A 99 12.356 -8.802 -1.409 1.00 0.00 C ATOM 1524 CG ASP A 99 13.758 -9.311 -1.728 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.010 -9.621 -2.909 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.612 -9.405 -0.807 1.00 0.00 O ATOM 0 H ASP A 99 10.564 -9.659 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 99 11.807 -10.765 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.023 -8.147 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.393 -8.199 -0.502 1.00 0.00 H new ATOM 1531 N PRO A 100 10.308 -9.292 0.956 1.00 0.00 N ATOM 1532 CA PRO A 100 9.304 -8.665 1.807 1.00 0.00 C ATOM 1533 C PRO A 100 9.164 -7.174 1.480 1.00 0.00 C ATOM 1534 O PRO A 100 10.102 -6.515 1.015 1.00 0.00 O ATOM 1535 CB PRO A 100 9.789 -8.877 3.246 1.00 0.00 C ATOM 1536 CG PRO A 100 11.303 -8.971 3.087 1.00 0.00 C ATOM 1537 CD PRO A 100 11.450 -9.706 1.759 1.00 0.00 C ATOM 0 HA PRO A 100 8.317 -9.102 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.502 -8.050 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.372 -9.784 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.770 -7.987 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.764 -9.520 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.389 -9.447 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 100 11.455 -10.786 1.907 1.00 0.00 H new ATOM 1545 N VAL A 101 7.988 -6.629 1.766 1.00 0.00 N ATOM 1546 CA VAL A 101 7.723 -5.206 1.678 1.00 0.00 C ATOM 1547 C VAL A 101 8.155 -4.601 3.014 1.00 0.00 C ATOM 1548 O VAL A 101 7.806 -5.105 4.078 1.00 0.00 O ATOM 1549 CB VAL A 101 6.230 -4.971 1.387 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.941 -3.474 1.235 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.753 -5.698 0.119 1.00 0.00 C ATOM 0 H VAL A 101 7.182 -7.175 2.070 1.00 0.00 H new ATOM 0 HA VAL A 101 8.274 -4.734 0.865 1.00 0.00 H new ATOM 0 HB VAL A 101 5.684 -5.378 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.881 -3.327 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.207 -2.957 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.529 -3.072 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.693 -5.498 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.321 -5.342 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.906 -6.771 0.235 1.00 0.00 H new ATOM 1561 N HIS A 102 8.910 -3.510 2.969 1.00 0.00 N ATOM 1562 CA HIS A 102 9.377 -2.764 4.117 1.00 0.00 C ATOM 1563 C HIS A 102 8.234 -1.973 4.735 1.00 0.00 C ATOM 1564 O HIS A 102 8.075 -0.771 4.503 1.00 0.00 O ATOM 1565 CB HIS A 102 10.551 -1.880 3.654 1.00 0.00 C ATOM 1566 CG HIS A 102 11.642 -1.648 4.656 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.742 -0.648 5.598 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.853 -2.273 4.582 1.00 0.00 C ATOM 1569 CE1 HIS A 102 12.989 -0.680 6.087 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.708 -1.654 5.500 1.00 0.00 N ATOM 0 H HIS A 102 9.225 -3.107 2.086 1.00 0.00 H new ATOM 0 HA HIS A 102 9.735 -3.426 4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.992 -2.334 2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.152 -0.912 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.106 -3.097 3.932 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.366 -0.014 6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.682 -1.893 5.687 1.00 0.00 H new ATOM 1578 N TYR A 103 7.447 -2.675 5.547 1.00 0.00 N ATOM 1579 CA TYR A 103 6.280 -2.149 6.222 1.00 0.00 C ATOM 1580 C TYR A 103 6.629 -0.873 6.936 1.00 0.00 C ATOM 1581 O TYR A 103 5.939 0.112 6.731 1.00 0.00 O ATOM 1582 CB TYR A 103 5.710 -3.190 7.183 1.00 0.00 C ATOM 1583 CG TYR A 103 4.905 -4.290 6.533 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.855 -4.463 5.138 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.156 -5.133 7.363 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.016 -5.437 4.584 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.363 -6.151 6.820 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.288 -6.305 5.426 1.00 0.00 C ATOM 1589 OH TYR A 103 2.531 -7.300 4.897 1.00 0.00 O ATOM 0 H TYR A 103 7.617 -3.659 5.755 1.00 0.00 H new ATOM 0 HA TYR A 103 5.510 -1.922 5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.534 -3.642 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.079 -2.682 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.464 -3.845 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.190 -4.996 8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.926 -5.524 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.812 -6.815 7.470 1.00 0.00 H new ATOM 0 HH TYR A 103 2.927 -7.598 4.052 1.00 0.00 H new ATOM 1599 N GLU A 104 7.721 -0.858 7.697 1.00 0.00 N ATOM 1600 CA GLU A 104 8.119 0.298 8.475 1.00 0.00 C ATOM 1601 C GLU A 104 8.182 1.554 7.609 1.00 0.00 C ATOM 1602 O GLU A 104 7.635 2.573 7.998 1.00 0.00 O ATOM 1603 CB GLU A 104 9.461 0.000 9.146 1.00 0.00 C ATOM 1604 CG GLU A 104 9.917 1.111 10.097 1.00 0.00 C ATOM 1605 CD GLU A 104 11.316 0.776 10.603 1.00 0.00 C ATOM 1606 OE1 GLU A 104 11.472 -0.142 11.428 1.00 0.00 O ATOM 1607 OE2 GLU A 104 12.287 1.331 10.017 1.00 0.00 O ATOM 0 H GLU A 104 8.353 -1.654 7.787 1.00 0.00 H new ATOM 0 HA GLU A 104 7.373 0.495 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.384 -0.935 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.220 -0.147 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.921 2.072 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.224 1.201 10.933 1.00 0.00 H new ATOM 1614 N LEU A 105 8.801 1.508 6.431 1.00 0.00 N ATOM 1615 CA LEU A 105 9.028 2.729 5.665 1.00 0.00 C ATOM 1616 C LEU A 105 7.714 3.222 5.075 1.00 0.00 C ATOM 1617 O LEU A 105 7.373 4.394 5.233 1.00 0.00 O ATOM 1618 CB LEU A 105 10.089 2.489 4.584 1.00 0.00 C ATOM 1619 CG LEU A 105 11.185 3.562 4.609 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.408 3.007 3.884 1.00 0.00 C ATOM 1621 CD2 LEU A 105 10.728 4.875 3.973 1.00 0.00 C ATOM 0 H LEU A 105 9.148 0.655 5.993 1.00 0.00 H new ATOM 0 HA LEU A 105 9.408 3.508 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.539 1.507 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.613 2.480 3.604 1.00 0.00 H new ATOM 0 HG LEU A 105 11.427 3.795 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.203 3.753 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.753 2.106 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.142 2.766 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.539 5.602 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.453 4.699 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.866 5.262 4.516 1.00 0.00 H new ATOM 1633 N LEU A 106 6.959 2.307 4.457 1.00 0.00 N ATOM 1634 CA LEU A 106 5.626 2.582 3.931 1.00 0.00 C ATOM 1635 C LEU A 106 4.684 3.032 5.055 1.00 0.00 C ATOM 1636 O LEU A 106 3.789 3.826 4.795 1.00 0.00 O ATOM 1637 CB LEU A 106 5.150 1.424 3.035 1.00 0.00 C ATOM 1638 CG LEU A 106 4.085 0.452 3.567 1.00 0.00 C ATOM 1639 CD1 LEU A 106 2.682 0.913 3.183 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.307 -0.948 2.996 1.00 0.00 C ATOM 0 H LEU A 106 7.264 1.345 4.309 1.00 0.00 H new ATOM 0 HA LEU A 106 5.639 3.437 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.765 1.860 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.027 0.835 2.767 1.00 0.00 H new ATOM 0 HG LEU A 106 4.176 0.431 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.948 0.207 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.495 1.900 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.599 0.961 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.544 -1.624 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.242 -0.912 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.293 -1.308 3.289 1.00 0.00 H new ATOM 1652 N LYS A 107 4.934 2.615 6.304 1.00 0.00 N ATOM 1653 CA LYS A 107 4.242 3.074 7.497 1.00 0.00 C ATOM 1654 C LYS A 107 4.541 4.541 7.744 1.00 0.00 C ATOM 1655 O LYS A 107 3.604 5.326 7.808 1.00 0.00 O ATOM 1656 CB LYS A 107 4.648 2.251 8.734 1.00 0.00 C ATOM 1657 CG LYS A 107 3.597 2.289 9.830 1.00 0.00 C ATOM 1658 CD LYS A 107 4.187 2.057 11.216 1.00 0.00 C ATOM 1659 CE LYS A 107 5.032 0.785 11.308 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.906 0.782 12.495 1.00 0.00 N ATOM 0 H LYS A 107 5.653 1.922 6.509 1.00 0.00 H new ATOM 0 HA LYS A 107 3.173 2.941 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.821 1.217 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.591 2.632 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.092 3.255 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.841 1.530 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.802 2.914 11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.377 2.000 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.375 -0.084 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.642 0.690 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.460 -0.098 12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.552 1.596 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.324 0.846 13.355 1.00 0.00 H new ATOM 1674 N GLN A 108 5.810 4.915 7.926 1.00 0.00 N ATOM 1675 CA GLN A 108 6.136 6.266 8.377 1.00 0.00 C ATOM 1676 C GLN A 108 5.637 7.284 7.354 1.00 0.00 C ATOM 1677 O GLN A 108 5.080 8.301 7.742 1.00 0.00 O ATOM 1678 CB GLN A 108 7.635 6.432 8.713 1.00 0.00 C ATOM 1679 CG GLN A 108 8.091 5.328 9.681 1.00 0.00 C ATOM 1680 CD GLN A 108 9.368 5.549 10.476 1.00 0.00 C ATOM 1681 OE1 GLN A 108 9.433 5.148 11.640 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.422 6.064 9.864 1.00 0.00 N ATOM 0 H GLN A 108 6.616 4.310 7.770 1.00 0.00 H new ATOM 0 HA GLN A 108 5.617 6.452 9.317 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.226 6.390 7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.808 7.411 9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.283 5.154 10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.212 4.410 9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.344 6.389 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.313 6.136 10.356 1.00 0.00 H new ATOM 1691 N MET A 109 5.747 6.988 6.056 1.00 0.00 N ATOM 1692 CA MET A 109 5.253 7.896 5.029 1.00 0.00 C ATOM 1693 C MET A 109 3.726 7.964 4.916 1.00 0.00 C ATOM 1694 O MET A 109 3.247 8.910 4.295 1.00 0.00 O ATOM 1695 CB MET A 109 5.877 7.558 3.675 1.00 0.00 C ATOM 1696 CG MET A 109 5.419 6.208 3.108 1.00 0.00 C ATOM 1697 SD MET A 109 6.162 5.750 1.518 1.00 0.00 S ATOM 1698 CE MET A 109 7.877 5.438 2.025 1.00 0.00 C ATOM 0 H MET A 109 6.171 6.132 5.698 1.00 0.00 H new ATOM 0 HA MET A 109 5.563 8.892 5.346 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.628 8.345 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.962 7.551 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.647 5.429 3.836 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.335 6.229 2.993 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.552 6.037 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.001 5.708 3.074 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.109 4.381 1.892 1.00 0.00 H new ATOM 1708 N ILE A 110 2.950 7.006 5.441 1.00 0.00 N ATOM 1709 CA ILE A 110 1.495 7.108 5.425 1.00 0.00 C ATOM 1710 C ILE A 110 1.025 7.754 6.720 1.00 0.00 C ATOM 1711 O ILE A 110 0.354 8.782 6.661 1.00 0.00 O ATOM 1712 CB ILE A 110 0.835 5.759 5.061 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.625 5.969 4.624 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.924 4.634 6.096 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.678 5.850 5.728 1.00 0.00 C ATOM 0 H ILE A 110 3.309 6.158 5.879 1.00 0.00 H new ATOM 0 HA ILE A 110 1.161 7.769 4.626 1.00 0.00 H new ATOM 0 HB ILE A 110 1.446 5.397 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.710 6.958 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.859 5.242 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.421 3.746 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.971 4.402 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.444 4.952 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.669 6.017 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.634 4.853 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.483 6.595 6.499 1.00 0.00 H new ATOM 1727 N GLU A 111 1.449 7.205 7.861 1.00 0.00 N ATOM 1728 CA GLU A 111 1.175 7.713 9.198 1.00 0.00 C ATOM 1729 C GLU A 111 1.481 9.192 9.238 1.00 0.00 C ATOM 1730 O GLU A 111 0.612 9.939 9.661 1.00 0.00 O ATOM 1731 CB GLU A 111 1.993 6.949 10.245 1.00 0.00 C ATOM 1732 CG GLU A 111 1.333 5.614 10.590 1.00 0.00 C ATOM 1733 CD GLU A 111 0.302 5.691 11.731 1.00 0.00 C ATOM 1734 OE1 GLU A 111 -0.854 6.097 11.506 1.00 0.00 O ATOM 1735 OE2 GLU A 111 0.629 5.222 12.854 1.00 0.00 O ATOM 0 H GLU A 111 2.017 6.358 7.873 1.00 0.00 H new ATOM 0 HA GLU A 111 0.122 7.563 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.000 6.774 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.091 7.554 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.842 5.224 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.109 4.899 10.865 1.00 0.00 H new ATOM 1742 N PHE A 112 2.631 9.629 8.711 1.00 0.00 N ATOM 1743 CA PHE A 112 3.034 11.024 8.749 1.00 0.00 C ATOM 1744 C PHE A 112 1.939 11.981 8.272 1.00 0.00 C ATOM 1745 O PHE A 112 1.747 13.009 8.912 1.00 0.00 O ATOM 1746 CB PHE A 112 4.335 11.258 7.986 1.00 0.00 C ATOM 1747 CG PHE A 112 4.755 12.717 7.853 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.745 13.569 8.975 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.117 13.243 6.598 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.083 14.926 8.843 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.498 14.591 6.472 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.480 15.434 7.596 1.00 0.00 C ATOM 0 H PHE A 112 3.303 9.018 8.247 1.00 0.00 H new ATOM 0 HA PHE A 112 3.210 11.252 9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.134 10.710 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.233 10.833 6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.475 13.176 9.944 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.102 12.607 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.037 15.579 9.702 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.804 14.978 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.771 16.470 7.501 1.00 0.00 H new ATOM 1762 N ASN A 113 1.186 11.671 7.209 1.00 0.00 N ATOM 1763 CA ASN A 113 0.189 12.629 6.748 1.00 0.00 C ATOM 1764 C ASN A 113 -1.048 12.540 7.640 1.00 0.00 C ATOM 1765 O ASN A 113 -1.766 13.514 7.814 1.00 0.00 O ATOM 1766 CB ASN A 113 -0.203 12.421 5.276 1.00 0.00 C ATOM 1767 CG ASN A 113 0.435 13.427 4.324 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.112 13.029 3.375 1.00 0.00 O ATOM 1769 ND2 ASN A 113 0.212 14.721 4.505 1.00 0.00 N ATOM 0 H ASN A 113 1.246 10.803 6.676 1.00 0.00 H new ATOM 0 HA ASN A 113 0.633 13.622 6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.083 11.414 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.287 12.485 5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.603 15.402 3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.351 15.036 5.295 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.330 11.378 8.217 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.478 11.193 9.090 1.00 0.00 C ATOM 1778 C ILE A 114 -2.186 11.769 10.475 1.00 0.00 C ATOM 1779 O ILE A 114 -3.144 12.124 11.158 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.822 9.704 9.184 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.972 9.104 7.763 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -4.099 9.456 10.020 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.642 7.730 7.713 1.00 0.00 C ATOM 0 H ILE A 114 -0.767 10.537 8.091 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.334 11.724 8.674 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.001 9.204 9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.550 9.797 7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.983 9.027 7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.306 8.387 10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.951 9.835 11.031 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.942 9.971 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.703 7.392 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.056 7.018 8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.646 7.799 8.131 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.927 11.861 10.915 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.521 12.661 12.090 1.00 0.00 C ATOM 1797 C GLN A 115 -0.285 14.137 11.733 1.00 0.00 C ATOM 1798 O GLN A 115 0.040 14.930 12.617 1.00 0.00 O ATOM 1799 CB GLN A 115 0.731 12.100 12.804 1.00 0.00 C ATOM 1800 CG GLN A 115 1.966 12.128 11.902 1.00 0.00 C ATOM 1801 CD GLN A 115 3.314 11.836 12.551 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.700 10.692 12.800 1.00 0.00 O ATOM 1803 NE2 GLN A 115 4.144 12.852 12.730 1.00 0.00 N ATOM 0 H GLN A 115 -0.148 11.380 10.465 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.362 12.592 12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.926 12.683 13.704 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.538 11.076 13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.814 11.405 11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.022 13.112 11.437 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.837 13.803 12.528 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.091 12.683 13.070 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.412 14.504 10.459 1.00 0.00 N ATOM 1813 CA ASP A 116 -0.253 15.907 10.028 1.00 0.00 C ATOM 1814 C ASP A 116 -1.600 16.630 10.010 1.00 0.00 C ATOM 1815 O ASP A 116 -1.708 17.791 10.407 1.00 0.00 O ATOM 1816 CB ASP A 116 0.434 15.973 8.654 1.00 0.00 C ATOM 1817 CG ASP A 116 0.334 17.340 7.970 1.00 0.00 C ATOM 1818 OD1 ASP A 116 0.961 18.299 8.456 1.00 0.00 O ATOM 1819 OD2 ASP A 116 -0.320 17.392 6.890 1.00 0.00 O ATOM 0 H ASP A 116 -0.624 13.855 9.701 1.00 0.00 H new ATOM 0 HA ASP A 116 0.384 16.418 10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.486 15.714 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -0.008 15.219 8.002 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.652 15.931 9.595 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.970 16.493 9.296 1.00 0.00 C ATOM 1826 C LYS A 117 -4.893 16.472 10.510 1.00 0.00 C ATOM 1827 O LYS A 117 -6.115 16.417 10.346 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.584 15.753 8.100 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.721 15.814 6.833 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.596 17.172 6.152 1.00 0.00 C ATOM 1831 CE LYS A 117 -4.898 17.599 5.475 1.00 0.00 C ATOM 1832 NZ LYS A 117 -4.725 18.877 4.758 1.00 0.00 N ATOM 0 H LYS A 117 -2.611 14.922 9.452 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.845 17.543 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.743 14.709 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.564 16.179 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.719 15.468 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.128 15.107 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.309 17.922 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.798 17.133 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.220 16.826 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.685 17.701 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.622 19.146 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.440 19.617 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.990 18.770 4.030 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.344 16.453 11.718 1.00 0.00 N ATOM 1847 CA GLU A 118 -5.088 16.431 12.970 1.00 0.00 C ATOM 1848 C GLU A 118 -6.046 17.606 12.990 1.00 0.00 C ATOM 1849 O GLU A 118 -7.230 17.386 13.296 1.00 0.00 O ATOM 1850 CB GLU A 118 -4.092 16.416 14.148 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.188 15.183 15.059 1.00 0.00 C ATOM 1852 CD GLU A 118 -2.825 14.765 15.625 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -2.297 15.463 16.534 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -2.283 13.756 15.122 1.00 0.00 O ATOM 0 H GLU A 118 -3.334 16.452 11.857 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.694 15.530 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.079 16.478 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.252 17.309 14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.870 15.395 15.882 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.615 14.352 14.497 1.00 0.00 H new