USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 905 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 59 SER OG : rot -89:sc= 1.99 USER MOD Set 1.2: A 62 GLN : amide:sc= -0.196 X(o=1.8,f=1.9) USER MOD Set 2.1: A 43 ASN : amide:sc= 0.974 K(o=0.23,f=-2.7) USER MOD Set 2.2: A 58 ASN : amide:sc= -0.319 K(o=0.23,f=-9.8!) USER MOD Set 2.3: A 79 CYS SG : rot 140:sc= 0.0132 USER MOD Set 2.4: A 82 HIS : no HE2:sc= -0.438 K(o=0.23,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0615 (180deg=-0.232) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -4.3! C(o=-4.3!,f=-3.7!) USER MOD Single : A 15 ASN : amide:sc= -2.63! K(o=-2.6!,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.1) USER MOD Single : A 25 THR OG1 : rot -172:sc= 0.76 USER MOD Single : A 27 HIS : no HE2:sc= -0.508 K(o=-0.51,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.2!) USER MOD Single : A 32 GLN : amide:sc= 0.558 K(o=0.56,f=-0.83) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc=-0.00142 (180deg=-0.119) USER MOD Single : A 41 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.0015) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -162:sc= -0.114 (180deg=-0.519) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc=-0.00482 (180deg=-0.082) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.068 (180deg=-0.383) USER MOD Single : A 67 MET CE :methyl 171:sc= 0 (180deg=-0.108) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 109:sc= -0.503 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.261 (180deg=-0.0416) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0269 (180deg=-0.223) USER MOD Single : A 89 LYS NZ :NH3+ -115:sc= -0.0989 (180deg=-1.57!) USER MOD Single : A 90 SER OG : rot 150:sc= -2.39! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -0.031 (180deg=-0.204) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -120:sc= 1.01 (180deg=-0.882) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 111 HIS : no HD1:sc= -0.64 K(o=-0.64,f=-1.3) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.56) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.911 -22.694 -2.080 1.00 55.51 N ATOM 2 CA MET A 1 17.422 -22.168 -3.387 1.00 44.32 C ATOM 3 C MET A 1 16.763 -20.781 -3.236 1.00 43.43 C ATOM 4 O MET A 1 15.912 -20.391 -4.043 1.00 14.04 O ATOM 5 CB MET A 1 16.445 -23.169 -4.031 1.00 72.45 C ATOM 6 CG MET A 1 15.212 -23.472 -3.191 1.00 21.50 C ATOM 7 SD MET A 1 14.141 -24.709 -3.952 1.00 5.11 S ATOM 8 CE MET A 1 12.814 -24.809 -2.752 1.00 45.11 C ATOM 0 H1 MET A 1 18.207 -23.684 -2.193 1.00 55.51 H new ATOM 0 H2 MET A 1 18.720 -22.125 -1.758 1.00 55.51 H new ATOM 0 H3 MET A 1 17.147 -22.640 -1.376 1.00 55.51 H new ATOM 0 HA MET A 1 18.285 -22.046 -4.041 1.00 44.32 H new ATOM 0 HB2 MET A 1 16.125 -22.776 -4.996 1.00 72.45 H new ATOM 0 HB3 MET A 1 16.975 -24.101 -4.226 1.00 72.45 H new ATOM 0 HG2 MET A 1 15.524 -23.823 -2.207 1.00 21.50 H new ATOM 0 HG3 MET A 1 14.647 -22.553 -3.037 1.00 21.50 H new ATOM 0 HE1 MET A 1 12.074 -25.536 -3.087 1.00 45.11 H new ATOM 0 HE2 MET A 1 13.218 -25.120 -1.788 1.00 45.11 H new ATOM 0 HE3 MET A 1 12.342 -23.832 -2.649 1.00 45.11 H new ATOM 20 N LYS A 2 17.168 -20.033 -2.207 1.00 71.02 N ATOM 21 CA LYS A 2 16.691 -18.659 -2.011 1.00 0.30 C ATOM 22 C LYS A 2 17.494 -17.672 -2.872 1.00 60.34 C ATOM 23 O LYS A 2 18.451 -17.051 -2.401 1.00 4.45 O ATOM 24 CB LYS A 2 16.780 -18.253 -0.533 1.00 52.55 C ATOM 25 CG LYS A 2 15.829 -19.014 0.389 1.00 40.04 C ATOM 26 CD LYS A 2 15.949 -18.525 1.835 1.00 42.31 C ATOM 27 CE LYS A 2 14.895 -19.146 2.751 1.00 42.43 C ATOM 28 NZ LYS A 2 15.008 -18.656 4.155 1.00 54.33 N ATOM 0 H LYS A 2 17.825 -20.354 -1.496 1.00 71.02 H new ATOM 0 HA LYS A 2 15.647 -18.625 -2.321 1.00 0.30 H new ATOM 0 HB2 LYS A 2 17.802 -18.407 -0.187 1.00 52.55 H new ATOM 0 HB3 LYS A 2 16.572 -17.186 -0.449 1.00 52.55 H new ATOM 0 HG2 LYS A 2 14.803 -18.886 0.043 1.00 40.04 H new ATOM 0 HG3 LYS A 2 16.050 -20.080 0.344 1.00 40.04 H new ATOM 0 HD2 LYS A 2 16.942 -18.764 2.215 1.00 42.31 H new ATOM 0 HD3 LYS A 2 15.852 -17.440 1.858 1.00 42.31 H new ATOM 0 HE2 LYS A 2 13.901 -18.916 2.367 1.00 42.43 H new ATOM 0 HE3 LYS A 2 14.998 -20.231 2.737 1.00 42.43 H new ATOM 0 HZ1 LYS A 2 14.273 -19.104 4.739 1.00 54.33 H new ATOM 0 HZ2 LYS A 2 15.946 -18.898 4.533 1.00 54.33 H new ATOM 0 HZ3 LYS A 2 14.883 -17.624 4.174 1.00 54.33 H new ATOM 42 N ASN A 3 17.105 -17.535 -4.137 1.00 43.02 N ATOM 43 CA ASN A 3 17.786 -16.626 -5.073 1.00 25.43 C ATOM 44 C ASN A 3 17.331 -15.167 -4.885 1.00 43.41 C ATOM 45 O ASN A 3 17.127 -14.429 -5.855 1.00 74.02 O ATOM 46 CB ASN A 3 17.545 -17.084 -6.508 1.00 44.30 C ATOM 47 CG ASN A 3 18.193 -18.427 -6.776 1.00 3.13 C ATOM 48 OD1 ASN A 3 18.139 -19.335 -5.955 1.00 24.32 O ATOM 49 ND2 ASN A 3 18.854 -18.545 -7.898 1.00 4.32 N ATOM 0 H ASN A 3 16.319 -18.041 -4.545 1.00 43.02 H new ATOM 0 HA ASN A 3 18.854 -16.661 -4.860 1.00 25.43 H new ATOM 0 HB2 ASN A 3 16.473 -17.152 -6.695 1.00 44.30 H new ATOM 0 HB3 ASN A 3 17.943 -16.342 -7.200 1.00 44.30 H new ATOM 0 HD21 ASN A 3 19.345 -19.413 -8.112 1.00 4.32 H new ATOM 0 HD22 ASN A 3 18.878 -17.769 -8.560 1.00 4.32 H new ATOM 56 N THR A 4 17.211 -14.755 -3.626 1.00 12.25 N ATOM 57 CA THR A 4 16.743 -13.413 -3.268 1.00 2.42 C ATOM 58 C THR A 4 17.812 -12.345 -3.542 1.00 52.11 C ATOM 59 O THR A 4 18.896 -12.371 -2.953 1.00 73.43 O ATOM 60 CB THR A 4 16.348 -13.356 -1.770 1.00 4.42 C ATOM 61 OG1 THR A 4 15.341 -14.343 -1.491 1.00 2.11 O ATOM 62 CG2 THR A 4 15.830 -11.972 -1.382 1.00 63.43 C ATOM 0 H THR A 4 17.435 -15.341 -2.822 1.00 12.25 H new ATOM 0 HA THR A 4 15.873 -13.203 -3.890 1.00 2.42 H new ATOM 0 HB THR A 4 17.241 -13.564 -1.180 1.00 4.42 H new ATOM 0 HG1 THR A 4 15.097 -14.303 -0.543 1.00 2.11 H new ATOM 0 HG21 THR A 4 15.562 -11.967 -0.325 1.00 63.43 H new ATOM 0 HG22 THR A 4 16.607 -11.229 -1.563 1.00 63.43 H new ATOM 0 HG23 THR A 4 14.951 -11.731 -1.980 1.00 63.43 H new ATOM 70 N GLY A 5 17.501 -11.417 -4.447 1.00 60.21 N ATOM 71 CA GLY A 5 18.418 -10.324 -4.760 1.00 15.54 C ATOM 72 C GLY A 5 18.103 -9.041 -3.994 1.00 74.53 C ATOM 73 O GLY A 5 18.650 -8.799 -2.914 1.00 25.03 O ATOM 0 H GLY A 5 16.627 -11.401 -4.972 1.00 60.21 H new ATOM 0 HA2 GLY A 5 19.437 -10.636 -4.531 1.00 15.54 H new ATOM 0 HA3 GLY A 5 18.379 -10.120 -5.830 1.00 15.54 H new ATOM 77 N ASP A 6 17.209 -8.224 -4.541 1.00 1.44 N ATOM 78 CA ASP A 6 16.867 -6.934 -3.940 1.00 15.33 C ATOM 79 C ASP A 6 15.749 -7.062 -2.885 1.00 73.10 C ATOM 80 O ASP A 6 14.595 -7.364 -3.202 1.00 51.55 O ATOM 81 CB ASP A 6 16.473 -5.931 -5.039 1.00 1.14 C ATOM 82 CG ASP A 6 15.308 -6.404 -5.900 1.00 2.43 C ATOM 83 OD1 ASP A 6 15.403 -7.495 -6.504 1.00 10.01 O ATOM 84 OD2 ASP A 6 14.302 -5.670 -6.003 1.00 12.43 O ATOM 0 H ASP A 6 16.705 -8.431 -5.403 1.00 1.44 H new ATOM 0 HA ASP A 6 17.750 -6.564 -3.419 1.00 15.33 H new ATOM 0 HB2 ASP A 6 16.210 -4.980 -4.576 1.00 1.14 H new ATOM 0 HB3 ASP A 6 17.336 -5.746 -5.678 1.00 1.14 H new ATOM 89 N GLU A 7 16.107 -6.844 -1.619 1.00 51.24 N ATOM 90 CA GLU A 7 15.133 -6.875 -0.523 1.00 53.23 C ATOM 91 C GLU A 7 14.493 -5.495 -0.321 1.00 70.33 C ATOM 92 O GLU A 7 15.084 -4.613 0.300 1.00 31.33 O ATOM 93 CB GLU A 7 15.799 -7.346 0.779 1.00 24.40 C ATOM 94 CG GLU A 7 16.457 -8.721 0.671 1.00 72.31 C ATOM 95 CD GLU A 7 17.060 -9.193 1.987 1.00 43.22 C ATOM 96 OE1 GLU A 7 18.087 -8.621 2.416 1.00 32.24 O ATOM 97 OE2 GLU A 7 16.509 -10.131 2.604 1.00 0.21 O ATOM 0 H GLU A 7 17.063 -6.644 -1.325 1.00 51.24 H new ATOM 0 HA GLU A 7 14.348 -7.583 -0.790 1.00 53.23 H new ATOM 0 HB2 GLU A 7 16.551 -6.616 1.077 1.00 24.40 H new ATOM 0 HB3 GLU A 7 15.050 -7.373 1.571 1.00 24.40 H new ATOM 0 HG2 GLU A 7 15.717 -9.447 0.335 1.00 72.31 H new ATOM 0 HG3 GLU A 7 17.238 -8.686 -0.089 1.00 72.31 H new ATOM 104 N VAL A 8 13.286 -5.315 -0.855 1.00 4.13 N ATOM 105 CA VAL A 8 12.613 -4.005 -0.843 1.00 32.24 C ATOM 106 C VAL A 8 11.506 -3.898 0.226 1.00 52.21 C ATOM 107 O VAL A 8 11.007 -4.900 0.743 1.00 32.44 O ATOM 108 CB VAL A 8 12.002 -3.685 -2.233 1.00 4.43 C ATOM 109 CG1 VAL A 8 13.092 -3.621 -3.302 1.00 54.42 C ATOM 110 CG2 VAL A 8 10.930 -4.708 -2.608 1.00 31.51 C ATOM 0 H VAL A 8 12.749 -6.057 -1.303 1.00 4.13 H new ATOM 0 HA VAL A 8 13.387 -3.279 -0.594 1.00 32.24 H new ATOM 0 HB VAL A 8 11.526 -2.706 -2.175 1.00 4.43 H new ATOM 0 HG11 VAL A 8 12.641 -3.395 -4.268 1.00 54.42 H new ATOM 0 HG12 VAL A 8 13.808 -2.841 -3.045 1.00 54.42 H new ATOM 0 HG13 VAL A 8 13.605 -4.581 -3.356 1.00 54.42 H new ATOM 0 HG21 VAL A 8 10.518 -4.461 -3.586 1.00 31.51 H new ATOM 0 HG22 VAL A 8 11.373 -5.703 -2.642 1.00 31.51 H new ATOM 0 HG23 VAL A 8 10.134 -4.690 -1.864 1.00 31.51 H new ATOM 120 N VAL A 9 11.131 -2.655 0.540 1.00 72.25 N ATOM 121 CA VAL A 9 10.077 -2.356 1.516 1.00 64.32 C ATOM 122 C VAL A 9 9.055 -1.363 0.937 1.00 42.10 C ATOM 123 O VAL A 9 9.381 -0.558 0.062 1.00 20.51 O ATOM 124 CB VAL A 9 10.658 -1.751 2.825 1.00 4.23 C ATOM 125 CG1 VAL A 9 11.636 -2.715 3.491 1.00 24.01 C ATOM 126 CG2 VAL A 9 11.327 -0.399 2.558 1.00 15.31 C ATOM 0 H VAL A 9 11.551 -1.824 0.123 1.00 72.25 H new ATOM 0 HA VAL A 9 9.589 -3.304 1.744 1.00 64.32 H new ATOM 0 HB VAL A 9 9.826 -1.588 3.510 1.00 4.23 H new ATOM 0 HG11 VAL A 9 12.026 -2.265 4.404 1.00 24.01 H new ATOM 0 HG12 VAL A 9 11.121 -3.644 3.736 1.00 24.01 H new ATOM 0 HG13 VAL A 9 12.460 -2.926 2.810 1.00 24.01 H new ATOM 0 HG21 VAL A 9 11.724 0.001 3.491 1.00 15.31 H new ATOM 0 HG22 VAL A 9 12.140 -0.530 1.844 1.00 15.31 H new ATOM 0 HG23 VAL A 9 10.593 0.296 2.149 1.00 15.31 H new ATOM 136 N ALA A 10 7.822 -1.423 1.437 1.00 24.41 N ATOM 137 CA ALA A 10 6.765 -0.489 1.031 1.00 43.52 C ATOM 138 C ALA A 10 6.423 0.491 2.168 1.00 13.12 C ATOM 139 O ALA A 10 6.021 0.076 3.260 1.00 71.33 O ATOM 140 CB ALA A 10 5.519 -1.256 0.596 1.00 55.10 C ATOM 0 H ALA A 10 7.526 -2.112 2.128 1.00 24.41 H new ATOM 0 HA ALA A 10 7.133 0.092 0.186 1.00 43.52 H new ATOM 0 HB1 ALA A 10 4.743 -0.551 0.298 1.00 55.10 H new ATOM 0 HB2 ALA A 10 5.765 -1.902 -0.246 1.00 55.10 H new ATOM 0 HB3 ALA A 10 5.157 -1.863 1.426 1.00 55.10 H new ATOM 146 N ILE A 11 6.597 1.787 1.911 1.00 63.11 N ATOM 147 CA ILE A 11 6.300 2.828 2.906 1.00 42.12 C ATOM 148 C ILE A 11 4.943 3.493 2.618 1.00 44.42 C ATOM 149 O ILE A 11 4.789 4.201 1.621 1.00 54.32 O ATOM 150 CB ILE A 11 7.401 3.922 2.919 1.00 33.24 C ATOM 151 CG1 ILE A 11 8.798 3.289 3.070 1.00 52.34 C ATOM 152 CG2 ILE A 11 7.144 4.938 4.032 1.00 51.41 C ATOM 153 CD1 ILE A 11 8.987 2.492 4.347 1.00 65.13 C ATOM 0 H ILE A 11 6.943 2.146 1.021 1.00 63.11 H new ATOM 0 HA ILE A 11 6.267 2.340 3.880 1.00 42.12 H new ATOM 0 HB ILE A 11 7.367 4.448 1.965 1.00 33.24 H new ATOM 0 HG12 ILE A 11 8.982 2.636 2.217 1.00 52.34 H new ATOM 0 HG13 ILE A 11 9.548 4.079 3.034 1.00 52.34 H new ATOM 0 HG21 ILE A 11 7.928 5.695 4.022 1.00 51.41 H new ATOM 0 HG22 ILE A 11 6.177 5.415 3.873 1.00 51.41 H new ATOM 0 HG23 ILE A 11 7.143 4.429 4.996 1.00 51.41 H new ATOM 0 HD11 ILE A 11 9.996 2.081 4.374 1.00 65.13 H new ATOM 0 HD12 ILE A 11 8.838 3.143 5.208 1.00 65.13 H new ATOM 0 HD13 ILE A 11 8.263 1.678 4.378 1.00 65.13 H new ATOM 165 N ILE A 12 3.961 3.257 3.489 1.00 10.21 N ATOM 166 CA ILE A 12 2.615 3.814 3.309 1.00 45.32 C ATOM 167 C ILE A 12 2.384 5.051 4.201 1.00 40.34 C ATOM 168 O ILE A 12 2.301 4.942 5.431 1.00 35.20 O ATOM 169 CB ILE A 12 1.499 2.768 3.617 1.00 41.22 C ATOM 170 CG1 ILE A 12 1.623 1.510 2.729 1.00 4.10 C ATOM 171 CG2 ILE A 12 0.116 3.399 3.437 1.00 11.05 C ATOM 172 CD1 ILE A 12 2.735 0.563 3.129 1.00 65.32 C ATOM 0 H ILE A 12 4.070 2.685 4.326 1.00 10.21 H new ATOM 0 HA ILE A 12 2.554 4.104 2.260 1.00 45.32 H new ATOM 0 HB ILE A 12 1.625 2.455 4.654 1.00 41.22 H new ATOM 0 HG12 ILE A 12 0.677 0.969 2.753 1.00 4.10 H new ATOM 0 HG13 ILE A 12 1.784 1.824 1.698 1.00 4.10 H new ATOM 0 HG21 ILE A 12 -0.653 2.658 3.655 1.00 11.05 H new ATOM 0 HG22 ILE A 12 0.010 4.243 4.118 1.00 11.05 H new ATOM 0 HG23 ILE A 12 0.005 3.745 2.409 1.00 11.05 H new ATOM 0 HD11 ILE A 12 2.747 -0.291 2.451 1.00 65.32 H new ATOM 0 HD12 ILE A 12 3.692 1.082 3.076 1.00 65.32 H new ATOM 0 HD13 ILE A 12 2.567 0.215 4.148 1.00 65.32 H new ATOM 184 N SER A 13 2.277 6.223 3.579 1.00 12.25 N ATOM 185 CA SER A 13 1.937 7.460 4.298 1.00 20.14 C ATOM 186 C SER A 13 0.516 7.911 3.943 1.00 2.20 C ATOM 187 O SER A 13 0.097 7.821 2.789 1.00 65.42 O ATOM 188 CB SER A 13 2.929 8.582 3.961 1.00 44.53 C ATOM 189 OG SER A 13 2.842 8.965 2.596 1.00 52.54 O ATOM 0 H SER A 13 2.420 6.348 2.577 1.00 12.25 H new ATOM 0 HA SER A 13 1.994 7.251 5.366 1.00 20.14 H new ATOM 0 HB2 SER A 13 2.731 9.446 4.595 1.00 44.53 H new ATOM 0 HB3 SER A 13 3.943 8.250 4.182 1.00 44.53 H new ATOM 0 HG SER A 13 3.485 9.682 2.416 1.00 52.54 H new ATOM 195 N GLN A 14 -0.225 8.402 4.930 1.00 40.31 N ATOM 196 CA GLN A 14 -1.614 8.810 4.712 1.00 60.30 C ATOM 197 C GLN A 14 -1.950 10.086 5.500 1.00 31.53 C ATOM 198 O GLN A 14 -1.660 10.182 6.693 1.00 24.11 O ATOM 199 CB GLN A 14 -2.551 7.673 5.127 1.00 23.14 C ATOM 200 CG GLN A 14 -4.004 7.898 4.736 1.00 51.23 C ATOM 201 CD GLN A 14 -4.923 6.836 5.303 1.00 72.41 C ATOM 202 OE1 GLN A 14 -4.686 6.302 6.380 1.00 34.55 O ATOM 203 NE2 GLN A 14 -5.974 6.518 4.584 1.00 35.12 N ATOM 0 H GLN A 14 0.108 8.528 5.886 1.00 40.31 H new ATOM 0 HA GLN A 14 -1.748 9.027 3.652 1.00 60.30 H new ATOM 0 HB2 GLN A 14 -2.203 6.745 4.674 1.00 23.14 H new ATOM 0 HB3 GLN A 14 -2.492 7.543 6.208 1.00 23.14 H new ATOM 0 HG2 GLN A 14 -4.325 8.878 5.088 1.00 51.23 H new ATOM 0 HG3 GLN A 14 -4.088 7.906 3.649 1.00 51.23 H new ATOM 0 HE21 GLN A 14 -6.141 6.983 3.692 1.00 35.12 H new ATOM 0 HE22 GLN A 14 -6.624 5.806 4.918 1.00 35.12 H new ATOM 212 N ASN A 15 -2.567 11.063 4.828 1.00 11.40 N ATOM 213 CA ASN A 15 -2.904 12.364 5.445 1.00 23.32 C ATOM 214 C ASN A 15 -1.652 13.091 5.979 1.00 32.33 C ATOM 215 O ASN A 15 -1.755 14.029 6.772 1.00 40.30 O ATOM 216 CB ASN A 15 -3.930 12.192 6.584 1.00 32.52 C ATOM 217 CG ASN A 15 -5.283 11.704 6.094 1.00 10.14 C ATOM 218 OD1 ASN A 15 -6.137 12.493 5.702 1.00 23.11 O ATOM 219 ND2 ASN A 15 -5.506 10.407 6.147 1.00 41.34 N ATOM 0 H ASN A 15 -2.847 10.983 3.851 1.00 11.40 H new ATOM 0 HA ASN A 15 -3.345 12.977 4.659 1.00 23.32 H new ATOM 0 HB2 ASN A 15 -3.538 11.485 7.315 1.00 32.52 H new ATOM 0 HB3 ASN A 15 -4.058 13.145 7.098 1.00 32.52 H new ATOM 0 HD21 ASN A 15 -6.409 10.033 5.857 1.00 41.34 H new ATOM 0 HD22 ASN A 15 -4.775 9.777 6.478 1.00 41.34 H new ATOM 226 N GLY A 16 -0.473 12.665 5.528 1.00 63.34 N ATOM 227 CA GLY A 16 0.776 13.266 5.993 1.00 32.21 C ATOM 228 C GLY A 16 1.489 12.448 7.070 1.00 65.43 C ATOM 229 O GLY A 16 2.653 12.712 7.385 1.00 0.10 O ATOM 0 H GLY A 16 -0.356 11.914 4.848 1.00 63.34 H new ATOM 0 HA2 GLY A 16 1.446 13.393 5.143 1.00 32.21 H new ATOM 0 HA3 GLY A 16 0.566 14.261 6.385 1.00 32.21 H new ATOM 233 N LYS A 17 0.802 11.458 7.640 1.00 64.12 N ATOM 234 CA LYS A 17 1.383 10.624 8.705 1.00 63.45 C ATOM 235 C LYS A 17 1.666 9.191 8.212 1.00 40.33 C ATOM 236 O LYS A 17 0.820 8.563 7.575 1.00 32.54 O ATOM 237 CB LYS A 17 0.448 10.600 9.931 1.00 61.03 C ATOM 238 CG LYS A 17 -0.912 9.943 9.684 1.00 54.23 C ATOM 239 CD LYS A 17 -1.865 10.145 10.866 1.00 61.54 C ATOM 240 CE LYS A 17 -3.215 9.463 10.642 1.00 52.21 C ATOM 241 NZ LYS A 17 -3.123 7.981 10.746 1.00 51.02 N ATOM 0 H LYS A 17 -0.155 11.210 7.387 1.00 64.12 H new ATOM 0 HA LYS A 17 2.337 11.066 8.994 1.00 63.45 H new ATOM 0 HB2 LYS A 17 0.949 10.073 10.743 1.00 61.03 H new ATOM 0 HB3 LYS A 17 0.286 11.624 10.268 1.00 61.03 H new ATOM 0 HG2 LYS A 17 -1.359 10.360 8.782 1.00 54.23 H new ATOM 0 HG3 LYS A 17 -0.774 8.876 9.507 1.00 54.23 H new ATOM 0 HD2 LYS A 17 -1.406 9.750 11.772 1.00 61.54 H new ATOM 0 HD3 LYS A 17 -2.021 11.212 11.027 1.00 61.54 H new ATOM 0 HE2 LYS A 17 -3.932 9.833 11.375 1.00 52.21 H new ATOM 0 HE3 LYS A 17 -3.597 9.733 9.658 1.00 52.21 H new ATOM 0 HZ1 LYS A 17 -3.354 7.553 9.826 1.00 51.02 H new ATOM 0 HZ2 LYS A 17 -2.157 7.712 11.020 1.00 51.02 H new ATOM 0 HZ3 LYS A 17 -3.794 7.641 11.464 1.00 51.02 H new ATOM 255 N VAL A 18 2.861 8.679 8.505 1.00 45.22 N ATOM 256 CA VAL A 18 3.238 7.314 8.108 1.00 13.20 C ATOM 257 C VAL A 18 2.481 6.274 8.950 1.00 33.31 C ATOM 258 O VAL A 18 2.663 6.192 10.167 1.00 54.20 O ATOM 259 CB VAL A 18 4.764 7.081 8.248 1.00 44.54 C ATOM 260 CG1 VAL A 18 5.147 5.674 7.779 1.00 42.32 C ATOM 261 CG2 VAL A 18 5.543 8.146 7.478 1.00 24.52 C ATOM 0 H VAL A 18 3.586 9.184 9.014 1.00 45.22 H new ATOM 0 HA VAL A 18 2.966 7.197 7.059 1.00 13.20 H new ATOM 0 HB VAL A 18 5.027 7.164 9.303 1.00 44.54 H new ATOM 0 HG11 VAL A 18 6.223 5.535 7.887 1.00 42.32 H new ATOM 0 HG12 VAL A 18 4.623 4.934 8.383 1.00 42.32 H new ATOM 0 HG13 VAL A 18 4.868 5.551 6.732 1.00 42.32 H new ATOM 0 HG21 VAL A 18 6.612 7.966 7.588 1.00 24.52 H new ATOM 0 HG22 VAL A 18 5.274 8.101 6.423 1.00 24.52 H new ATOM 0 HG23 VAL A 18 5.299 9.132 7.873 1.00 24.52 H new ATOM 271 N ILE A 19 1.637 5.478 8.303 1.00 60.41 N ATOM 272 CA ILE A 19 0.761 4.541 9.018 1.00 42.11 C ATOM 273 C ILE A 19 1.264 3.087 8.972 1.00 1.44 C ATOM 274 O ILE A 19 0.909 2.280 9.834 1.00 3.14 O ATOM 275 CB ILE A 19 -0.686 4.583 8.459 1.00 11.12 C ATOM 276 CG1 ILE A 19 -0.707 4.163 6.979 1.00 61.53 C ATOM 277 CG2 ILE A 19 -1.282 5.981 8.634 1.00 33.42 C ATOM 278 CD1 ILE A 19 -2.093 4.101 6.377 1.00 33.21 C ATOM 0 H ILE A 19 1.537 5.458 7.288 1.00 60.41 H new ATOM 0 HA ILE A 19 0.772 4.872 10.056 1.00 42.11 H new ATOM 0 HB ILE A 19 -1.296 3.876 9.021 1.00 11.12 H new ATOM 0 HG12 ILE A 19 -0.103 4.865 6.404 1.00 61.53 H new ATOM 0 HG13 ILE A 19 -0.236 3.185 6.883 1.00 61.53 H new ATOM 0 HG21 ILE A 19 -2.297 5.996 8.238 1.00 33.42 H new ATOM 0 HG22 ILE A 19 -1.302 6.238 9.693 1.00 33.42 H new ATOM 0 HG23 ILE A 19 -0.672 6.707 8.096 1.00 33.42 H new ATOM 0 HD11 ILE A 19 -2.023 3.798 5.332 1.00 33.21 H new ATOM 0 HD12 ILE A 19 -2.696 3.377 6.925 1.00 33.21 H new ATOM 0 HD13 ILE A 19 -2.561 5.084 6.439 1.00 33.21 H new ATOM 290 N ARG A 20 2.081 2.742 7.978 1.00 74.41 N ATOM 291 CA ARG A 20 2.491 1.343 7.800 1.00 70.45 C ATOM 292 C ARG A 20 3.805 1.203 7.009 1.00 74.02 C ATOM 293 O ARG A 20 3.942 1.740 5.909 1.00 23.41 O ATOM 294 CB ARG A 20 1.363 0.575 7.090 1.00 51.13 C ATOM 295 CG ARG A 20 1.573 -0.937 7.013 1.00 45.05 C ATOM 296 CD ARG A 20 1.644 -1.579 8.396 1.00 51.24 C ATOM 297 NE ARG A 20 0.493 -1.226 9.232 1.00 14.14 N ATOM 298 CZ ARG A 20 -0.528 -2.007 9.464 1.00 22.22 C ATOM 299 NH1 ARG A 20 -0.590 -3.192 8.943 1.00 4.14 N ATOM 300 NH2 ARG A 20 -1.481 -1.600 10.238 1.00 12.01 N ATOM 0 H ARG A 20 2.467 3.394 7.295 1.00 74.41 H new ATOM 0 HA ARG A 20 2.675 0.923 8.789 1.00 70.45 H new ATOM 0 HB2 ARG A 20 0.425 0.772 7.608 1.00 51.13 H new ATOM 0 HB3 ARG A 20 1.256 0.966 6.078 1.00 51.13 H new ATOM 0 HG2 ARG A 20 0.758 -1.387 6.446 1.00 45.05 H new ATOM 0 HG3 ARG A 20 2.494 -1.147 6.469 1.00 45.05 H new ATOM 0 HD2 ARG A 20 1.694 -2.663 8.289 1.00 51.24 H new ATOM 0 HD3 ARG A 20 2.562 -1.265 8.893 1.00 51.24 H new ATOM 0 HE ARG A 20 0.489 -0.302 9.665 1.00 14.14 H new ATOM 0 HH11 ARG A 20 0.165 -3.526 8.343 1.00 4.14 H new ATOM 0 HH12 ARG A 20 -1.393 -3.791 9.133 1.00 4.14 H new ATOM 0 HH21 ARG A 20 -1.432 -0.674 10.663 1.00 12.01 H new ATOM 0 HH22 ARG A 20 -2.281 -2.205 10.423 1.00 12.01 H new ATOM 314 N GLU A 21 4.764 0.475 7.582 1.00 24.11 N ATOM 315 CA GLU A 21 6.015 0.134 6.890 1.00 50.31 C ATOM 316 C GLU A 21 6.126 -1.397 6.745 1.00 12.30 C ATOM 317 O GLU A 21 6.150 -2.117 7.745 1.00 62.14 O ATOM 318 CB GLU A 21 7.240 0.676 7.659 1.00 52.05 C ATOM 319 CG GLU A 21 7.121 2.134 8.124 1.00 51.31 C ATOM 320 CD GLU A 21 6.448 2.271 9.486 1.00 53.02 C ATOM 321 OE1 GLU A 21 7.151 2.156 10.517 1.00 61.45 O ATOM 322 OE2 GLU A 21 5.217 2.477 9.541 1.00 20.01 O ATOM 0 H GLU A 21 4.700 0.106 8.531 1.00 24.11 H new ATOM 0 HA GLU A 21 5.999 0.597 5.903 1.00 50.31 H new ATOM 0 HB2 GLU A 21 7.411 0.045 8.531 1.00 52.05 H new ATOM 0 HB3 GLU A 21 8.120 0.584 7.022 1.00 52.05 H new ATOM 0 HG2 GLU A 21 8.116 2.577 8.170 1.00 51.31 H new ATOM 0 HG3 GLU A 21 6.553 2.700 7.386 1.00 51.31 H new ATOM 329 N ILE A 22 6.188 -1.897 5.510 1.00 55.44 N ATOM 330 CA ILE A 22 6.169 -3.352 5.266 1.00 52.12 C ATOM 331 C ILE A 22 7.413 -3.851 4.507 1.00 71.14 C ATOM 332 O ILE A 22 7.734 -3.340 3.435 1.00 4.32 O ATOM 333 CB ILE A 22 4.912 -3.757 4.456 1.00 21.45 C ATOM 334 CG1 ILE A 22 3.634 -3.335 5.196 1.00 70.34 C ATOM 335 CG2 ILE A 22 4.901 -5.263 4.177 1.00 33.22 C ATOM 336 CD1 ILE A 22 2.368 -3.626 4.431 1.00 10.03 C ATOM 0 H ILE A 22 6.251 -1.328 4.666 1.00 55.44 H new ATOM 0 HA ILE A 22 6.158 -3.817 6.252 1.00 52.12 H new ATOM 0 HB ILE A 22 4.944 -3.237 3.499 1.00 21.45 H new ATOM 0 HG12 ILE A 22 3.594 -3.849 6.156 1.00 70.34 H new ATOM 0 HG13 ILE A 22 3.683 -2.267 5.408 1.00 70.34 H new ATOM 0 HG21 ILE A 22 4.008 -5.521 3.607 1.00 33.22 H new ATOM 0 HG22 ILE A 22 5.788 -5.533 3.604 1.00 33.22 H new ATOM 0 HG23 ILE A 22 4.899 -5.808 5.121 1.00 33.22 H new ATOM 0 HD11 ILE A 22 1.507 -3.301 5.015 1.00 10.03 H new ATOM 0 HD12 ILE A 22 2.385 -3.091 3.482 1.00 10.03 H new ATOM 0 HD13 ILE A 22 2.295 -4.697 4.242 1.00 10.03 H new ATOM 348 N PRO A 23 8.124 -4.862 5.051 1.00 63.40 N ATOM 349 CA PRO A 23 9.188 -5.561 4.316 1.00 2.43 C ATOM 350 C PRO A 23 8.608 -6.546 3.281 1.00 63.10 C ATOM 351 O PRO A 23 7.995 -7.554 3.643 1.00 54.44 O ATOM 352 CB PRO A 23 9.947 -6.299 5.426 1.00 72.03 C ATOM 353 CG PRO A 23 8.921 -6.553 6.481 1.00 63.33 C ATOM 354 CD PRO A 23 7.960 -5.389 6.424 1.00 10.24 C ATOM 0 HA PRO A 23 9.821 -4.887 3.738 1.00 2.43 H new ATOM 0 HB2 PRO A 23 10.378 -7.231 5.060 1.00 72.03 H new ATOM 0 HB3 PRO A 23 10.770 -5.697 5.811 1.00 72.03 H new ATOM 0 HG2 PRO A 23 8.403 -7.495 6.301 1.00 63.33 H new ATOM 0 HG3 PRO A 23 9.384 -6.627 7.465 1.00 63.33 H new ATOM 0 HD2 PRO A 23 6.934 -5.708 6.610 1.00 10.24 H new ATOM 0 HD3 PRO A 23 8.200 -4.635 7.173 1.00 10.24 H new ATOM 362 N LEU A 24 8.791 -6.244 1.996 1.00 63.14 N ATOM 363 CA LEU A 24 8.176 -7.034 0.922 1.00 12.42 C ATOM 364 C LEU A 24 8.966 -8.319 0.619 1.00 72.25 C ATOM 365 O LEU A 24 8.502 -9.430 0.895 1.00 14.32 O ATOM 366 CB LEU A 24 8.052 -6.183 -0.350 1.00 71.24 C ATOM 367 CG LEU A 24 7.233 -4.891 -0.197 1.00 72.25 C ATOM 368 CD1 LEU A 24 7.169 -4.130 -1.519 1.00 62.13 C ATOM 369 CD2 LEU A 24 5.829 -5.198 0.321 1.00 45.03 C ATOM 0 H LEU A 24 9.358 -5.461 1.671 1.00 63.14 H new ATOM 0 HA LEU A 24 7.185 -7.333 1.264 1.00 12.42 H new ATOM 0 HB2 LEU A 24 9.053 -5.921 -0.691 1.00 71.24 H new ATOM 0 HB3 LEU A 24 7.598 -6.792 -1.132 1.00 71.24 H new ATOM 0 HG LEU A 24 7.733 -4.257 0.535 1.00 72.25 H new ATOM 0 HD11 LEU A 24 6.585 -3.219 -1.387 1.00 62.13 H new ATOM 0 HD12 LEU A 24 8.178 -3.870 -1.839 1.00 62.13 H new ATOM 0 HD13 LEU A 24 6.698 -4.756 -2.277 1.00 62.13 H new ATOM 0 HD21 LEU A 24 5.267 -4.269 0.422 1.00 45.03 H new ATOM 0 HD22 LEU A 24 5.318 -5.857 -0.381 1.00 45.03 H new ATOM 0 HD23 LEU A 24 5.899 -5.687 1.293 1.00 45.03 H new ATOM 381 N THR A 25 10.159 -8.160 0.046 1.00 5.12 N ATOM 382 CA THR A 25 10.986 -9.305 -0.358 1.00 1.22 C ATOM 383 C THR A 25 11.325 -10.206 0.839 1.00 61.40 C ATOM 384 O THR A 25 11.894 -9.752 1.835 1.00 61.25 O ATOM 385 CB THR A 25 12.305 -8.850 -1.022 1.00 34.53 C ATOM 386 OG1 THR A 25 12.058 -7.794 -1.967 1.00 61.01 O ATOM 387 CG2 THR A 25 12.983 -10.012 -1.739 1.00 70.20 C ATOM 0 H THR A 25 10.577 -7.251 -0.150 1.00 5.12 H new ATOM 0 HA THR A 25 10.395 -9.868 -1.080 1.00 1.22 H new ATOM 0 HB THR A 25 12.962 -8.485 -0.233 1.00 34.53 H new ATOM 0 HG1 THR A 25 12.880 -7.600 -2.464 1.00 61.01 H new ATOM 0 HG21 THR A 25 13.909 -9.666 -2.198 1.00 70.20 H new ATOM 0 HG22 THR A 25 13.207 -10.802 -1.022 1.00 70.20 H new ATOM 0 HG23 THR A 25 12.319 -10.401 -2.511 1.00 70.20 H new ATOM 395 N GLY A 26 10.995 -11.488 0.724 1.00 62.33 N ATOM 396 CA GLY A 26 11.188 -12.422 1.826 1.00 44.51 C ATOM 397 C GLY A 26 9.884 -12.791 2.524 1.00 3.51 C ATOM 398 O GLY A 26 9.793 -13.834 3.177 1.00 0.24 O ATOM 0 H GLY A 26 10.594 -11.902 -0.118 1.00 62.33 H new ATOM 0 HA2 GLY A 26 11.662 -13.328 1.449 1.00 44.51 H new ATOM 0 HA3 GLY A 26 11.872 -11.983 2.552 1.00 44.51 H new ATOM 402 N HIS A 27 8.865 -11.939 2.400 1.00 65.45 N ATOM 403 CA HIS A 27 7.560 -12.217 3.011 1.00 74.43 C ATOM 404 C HIS A 27 6.765 -13.237 2.184 1.00 4.43 C ATOM 405 O HIS A 27 6.029 -12.876 1.259 1.00 24.45 O ATOM 406 CB HIS A 27 6.741 -10.929 3.177 1.00 10.53 C ATOM 407 CG HIS A 27 5.367 -11.164 3.740 1.00 64.31 C ATOM 408 ND1 HIS A 27 4.275 -11.464 2.952 1.00 14.43 N ATOM 409 CD2 HIS A 27 4.909 -11.156 5.016 1.00 64.53 C ATOM 410 CE1 HIS A 27 3.214 -11.627 3.712 1.00 62.41 C ATOM 411 NE2 HIS A 27 3.568 -11.448 4.965 1.00 1.13 N ATOM 0 H HIS A 27 8.915 -11.058 1.888 1.00 65.45 H new ATOM 0 HA HIS A 27 7.749 -12.641 3.997 1.00 74.43 H new ATOM 0 HB2 HIS A 27 7.282 -10.245 3.831 1.00 10.53 H new ATOM 0 HB3 HIS A 27 6.650 -10.438 2.208 1.00 10.53 H new ATOM 0 HD1 HIS A 27 4.288 -11.547 1.935 1.00 14.43 H new ATOM 0 HD2 HIS A 27 5.489 -10.957 5.905 1.00 64.53 H new ATOM 0 HE1 HIS A 27 2.220 -11.867 3.365 1.00 62.41 H new ATOM 420 N LYS A 28 6.927 -14.512 2.518 1.00 62.20 N ATOM 421 CA LYS A 28 6.170 -15.582 1.868 1.00 24.00 C ATOM 422 C LYS A 28 4.756 -15.685 2.461 1.00 40.14 C ATOM 423 O LYS A 28 4.520 -15.309 3.610 1.00 34.30 O ATOM 424 CB LYS A 28 6.918 -16.916 2.008 1.00 2.33 C ATOM 425 CG LYS A 28 8.311 -16.895 1.378 1.00 2.13 C ATOM 426 CD LYS A 28 9.024 -18.243 1.500 1.00 15.11 C ATOM 427 CE LYS A 28 9.265 -18.640 2.953 1.00 35.43 C ATOM 428 NZ LYS A 28 10.055 -19.896 3.068 1.00 4.10 N ATOM 0 H LYS A 28 7.576 -14.833 3.236 1.00 62.20 H new ATOM 0 HA LYS A 28 6.073 -15.347 0.808 1.00 24.00 H new ATOM 0 HB2 LYS A 28 7.008 -17.165 3.065 1.00 2.33 H new ATOM 0 HB3 LYS A 28 6.328 -17.706 1.544 1.00 2.33 H new ATOM 0 HG2 LYS A 28 8.227 -16.625 0.325 1.00 2.13 H new ATOM 0 HG3 LYS A 28 8.913 -16.123 1.858 1.00 2.13 H new ATOM 0 HD2 LYS A 28 8.428 -19.013 1.009 1.00 15.11 H new ATOM 0 HD3 LYS A 28 9.978 -18.196 0.975 1.00 15.11 H new ATOM 0 HE2 LYS A 28 9.790 -17.834 3.466 1.00 35.43 H new ATOM 0 HE3 LYS A 28 8.307 -18.768 3.457 1.00 35.43 H new ATOM 0 HZ1 LYS A 28 10.195 -20.128 4.072 1.00 4.10 H new ATOM 0 HZ2 LYS A 28 9.543 -20.672 2.602 1.00 4.10 H new ATOM 0 HZ3 LYS A 28 10.980 -19.767 2.611 1.00 4.10 H new ATOM 442 N GLY A 29 3.816 -16.182 1.664 1.00 25.32 N ATOM 443 CA GLY A 29 2.430 -16.278 2.105 1.00 63.54 C ATOM 444 C GLY A 29 1.598 -15.054 1.727 1.00 11.04 C ATOM 445 O GLY A 29 1.998 -14.261 0.870 1.00 0.53 O ATOM 0 H GLY A 29 3.987 -16.522 0.717 1.00 25.32 H new ATOM 0 HA2 GLY A 29 1.976 -17.168 1.669 1.00 63.54 H new ATOM 0 HA3 GLY A 29 2.407 -16.406 3.187 1.00 63.54 H new ATOM 449 N ASN A 30 0.447 -14.895 2.378 1.00 42.04 N ATOM 450 CA ASN A 30 -0.475 -13.791 2.082 1.00 10.03 C ATOM 451 C ASN A 30 -0.671 -12.871 3.301 1.00 64.52 C ATOM 452 O ASN A 30 -0.667 -13.322 4.449 1.00 21.23 O ATOM 453 CB ASN A 30 -1.829 -14.356 1.629 1.00 23.13 C ATOM 454 CG ASN A 30 -2.854 -13.275 1.322 1.00 34.20 C ATOM 455 OD1 ASN A 30 -3.610 -12.852 2.190 1.00 20.43 O ATOM 456 ND2 ASN A 30 -2.888 -12.821 0.088 1.00 63.12 N ATOM 0 H ASN A 30 0.126 -15.519 3.119 1.00 42.04 H new ATOM 0 HA ASN A 30 -0.038 -13.193 1.282 1.00 10.03 H new ATOM 0 HB2 ASN A 30 -1.681 -14.970 0.741 1.00 23.13 H new ATOM 0 HB3 ASN A 30 -2.222 -15.010 2.407 1.00 23.13 H new ATOM 0 HD21 ASN A 30 -3.557 -12.096 -0.170 1.00 63.12 H new ATOM 0 HD22 ASN A 30 -2.245 -13.194 -0.611 1.00 63.12 H new ATOM 463 N GLU A 31 -0.829 -11.579 3.034 1.00 4.10 N ATOM 464 CA GLU A 31 -1.097 -10.582 4.077 1.00 22.41 C ATOM 465 C GLU A 31 -2.135 -9.565 3.584 1.00 43.43 C ATOM 466 O GLU A 31 -2.092 -9.142 2.433 1.00 53.51 O ATOM 467 CB GLU A 31 0.204 -9.866 4.468 1.00 23.55 C ATOM 468 CG GLU A 31 0.048 -8.874 5.616 1.00 51.23 C ATOM 469 CD GLU A 31 -0.466 -9.532 6.884 1.00 31.44 C ATOM 470 OE1 GLU A 31 0.232 -10.420 7.421 1.00 60.01 O ATOM 471 OE2 GLU A 31 -1.571 -9.168 7.345 1.00 53.20 O ATOM 0 H GLU A 31 -0.776 -11.189 2.093 1.00 4.10 H new ATOM 0 HA GLU A 31 -1.496 -11.090 4.955 1.00 22.41 H new ATOM 0 HB2 GLU A 31 0.948 -10.613 4.746 1.00 23.55 H new ATOM 0 HB3 GLU A 31 0.592 -9.339 3.597 1.00 23.55 H new ATOM 0 HG2 GLU A 31 1.010 -8.403 5.819 1.00 51.23 H new ATOM 0 HG3 GLU A 31 -0.638 -8.082 5.317 1.00 51.23 H new ATOM 478 N GLN A 32 -3.066 -9.172 4.450 1.00 54.51 N ATOM 479 CA GLN A 32 -4.148 -8.256 4.058 1.00 10.53 C ATOM 480 C GLN A 32 -4.478 -7.249 5.173 1.00 42.51 C ATOM 481 O GLN A 32 -4.632 -7.623 6.338 1.00 45.34 O ATOM 482 CB GLN A 32 -5.414 -9.054 3.692 1.00 13.41 C ATOM 483 CG GLN A 32 -5.268 -9.935 2.450 1.00 43.34 C ATOM 484 CD GLN A 32 -6.455 -10.864 2.240 1.00 43.20 C ATOM 485 OE1 GLN A 32 -7.097 -11.298 3.192 1.00 74.24 O ATOM 486 NE2 GLN A 32 -6.751 -11.186 0.999 1.00 13.55 N ATOM 0 H GLN A 32 -3.098 -9.469 5.425 1.00 54.51 H new ATOM 0 HA GLN A 32 -3.802 -7.696 3.189 1.00 10.53 H new ATOM 0 HB2 GLN A 32 -5.690 -9.683 4.538 1.00 13.41 H new ATOM 0 HB3 GLN A 32 -6.236 -8.356 3.533 1.00 13.41 H new ATOM 0 HG2 GLN A 32 -5.150 -9.300 1.572 1.00 43.34 H new ATOM 0 HG3 GLN A 32 -4.359 -10.530 2.537 1.00 43.34 H new ATOM 0 HE21 GLN A 32 -6.199 -10.809 0.229 1.00 13.55 H new ATOM 0 HE22 GLN A 32 -7.533 -11.812 0.807 1.00 13.55 H new ATOM 495 N PHE A 33 -4.600 -5.974 4.805 1.00 51.52 N ATOM 496 CA PHE A 33 -4.955 -4.922 5.765 1.00 31.32 C ATOM 497 C PHE A 33 -5.755 -3.791 5.101 1.00 53.02 C ATOM 498 O PHE A 33 -5.498 -3.414 3.955 1.00 15.32 O ATOM 499 CB PHE A 33 -3.698 -4.361 6.452 1.00 62.12 C ATOM 500 CG PHE A 33 -2.688 -3.744 5.514 1.00 4.35 C ATOM 501 CD1 PHE A 33 -1.804 -4.543 4.804 1.00 61.23 C ATOM 502 CD2 PHE A 33 -2.612 -2.364 5.351 1.00 41.24 C ATOM 503 CE1 PHE A 33 -0.873 -3.985 3.955 1.00 14.43 C ATOM 504 CE2 PHE A 33 -1.680 -1.803 4.501 1.00 61.55 C ATOM 505 CZ PHE A 33 -0.808 -2.612 3.804 1.00 0.32 C ATOM 0 H PHE A 33 -4.459 -5.642 3.851 1.00 51.52 H new ATOM 0 HA PHE A 33 -5.593 -5.377 6.523 1.00 31.32 H new ATOM 0 HB2 PHE A 33 -4.003 -3.610 7.180 1.00 62.12 H new ATOM 0 HB3 PHE A 33 -3.214 -5.165 7.007 1.00 62.12 H new ATOM 0 HD1 PHE A 33 -1.846 -5.616 4.918 1.00 61.23 H new ATOM 0 HD2 PHE A 33 -3.290 -1.724 5.896 1.00 41.24 H new ATOM 0 HE1 PHE A 33 -0.193 -4.621 3.407 1.00 14.43 H new ATOM 0 HE2 PHE A 33 -1.634 -0.731 4.382 1.00 61.55 H new ATOM 0 HZ PHE A 33 -0.076 -2.174 3.142 1.00 0.32 H new ATOM 515 N THR A 34 -6.729 -3.254 5.833 1.00 20.15 N ATOM 516 CA THR A 34 -7.593 -2.185 5.320 1.00 0.32 C ATOM 517 C THR A 34 -7.126 -0.800 5.793 1.00 41.12 C ATOM 518 O THR A 34 -7.158 -0.497 6.987 1.00 71.02 O ATOM 519 CB THR A 34 -9.065 -2.395 5.760 1.00 1.44 C ATOM 520 OG1 THR A 34 -9.559 -3.650 5.259 1.00 62.11 O ATOM 521 CG2 THR A 34 -9.962 -1.261 5.265 1.00 51.21 C ATOM 0 H THR A 34 -6.943 -3.541 6.788 1.00 20.15 H new ATOM 0 HA THR A 34 -7.528 -2.228 4.233 1.00 0.32 H new ATOM 0 HB THR A 34 -9.087 -2.401 6.850 1.00 1.44 H new ATOM 0 HG1 THR A 34 -10.488 -3.773 5.544 1.00 62.11 H new ATOM 0 HG21 THR A 34 -10.987 -1.439 5.591 1.00 51.21 H new ATOM 0 HG22 THR A 34 -9.611 -0.314 5.674 1.00 51.21 H new ATOM 0 HG23 THR A 34 -9.929 -1.220 4.176 1.00 51.21 H new ATOM 529 N ILE A 35 -6.701 0.037 4.851 1.00 33.14 N ATOM 530 CA ILE A 35 -6.273 1.404 5.162 1.00 72.43 C ATOM 531 C ILE A 35 -7.481 2.340 5.329 1.00 32.14 C ATOM 532 O ILE A 35 -8.209 2.620 4.374 1.00 0.31 O ATOM 533 CB ILE A 35 -5.335 1.969 4.061 1.00 30.03 C ATOM 534 CG1 ILE A 35 -4.049 1.130 3.972 1.00 71.00 C ATOM 535 CG2 ILE A 35 -5.004 3.439 4.326 1.00 40.14 C ATOM 536 CD1 ILE A 35 -3.061 1.631 2.938 1.00 71.11 C ATOM 0 H ILE A 35 -6.642 -0.205 3.862 1.00 33.14 H new ATOM 0 HA ILE A 35 -5.725 1.358 6.103 1.00 72.43 H new ATOM 0 HB ILE A 35 -5.855 1.909 3.105 1.00 30.03 H new ATOM 0 HG12 ILE A 35 -3.565 1.120 4.948 1.00 71.00 H new ATOM 0 HG13 ILE A 35 -4.315 0.099 3.737 1.00 71.00 H new ATOM 0 HG21 ILE A 35 -4.346 3.811 3.541 1.00 40.14 H new ATOM 0 HG22 ILE A 35 -5.924 4.023 4.335 1.00 40.14 H new ATOM 0 HG23 ILE A 35 -4.506 3.532 5.291 1.00 40.14 H new ATOM 0 HD11 ILE A 35 -2.181 0.988 2.935 1.00 71.11 H new ATOM 0 HD12 ILE A 35 -3.526 1.614 1.952 1.00 71.11 H new ATOM 0 HD13 ILE A 35 -2.765 2.651 3.182 1.00 71.11 H new ATOM 548 N LYS A 36 -7.681 2.814 6.553 1.00 0.43 N ATOM 549 CA LYS A 36 -8.798 3.703 6.886 1.00 64.03 C ATOM 550 C LYS A 36 -8.503 5.152 6.459 1.00 41.44 C ATOM 551 O LYS A 36 -7.663 5.824 7.057 1.00 5.25 O ATOM 552 CB LYS A 36 -9.061 3.626 8.396 1.00 5.01 C ATOM 553 CG LYS A 36 -9.492 2.235 8.872 1.00 41.11 C ATOM 554 CD LYS A 36 -9.167 1.999 10.346 1.00 11.32 C ATOM 555 CE LYS A 36 -7.661 1.946 10.582 1.00 23.23 C ATOM 556 NZ LYS A 36 -7.323 1.668 12.003 1.00 31.12 N ATOM 0 H LYS A 36 -7.077 2.596 7.345 1.00 0.43 H new ATOM 0 HA LYS A 36 -9.686 3.380 6.342 1.00 64.03 H new ATOM 0 HB2 LYS A 36 -8.157 3.920 8.929 1.00 5.01 H new ATOM 0 HB3 LYS A 36 -9.835 4.347 8.659 1.00 5.01 H new ATOM 0 HG2 LYS A 36 -10.564 2.116 8.715 1.00 41.11 H new ATOM 0 HG3 LYS A 36 -8.995 1.477 8.267 1.00 41.11 H new ATOM 0 HD2 LYS A 36 -9.603 2.796 10.948 1.00 11.32 H new ATOM 0 HD3 LYS A 36 -9.622 1.065 10.675 1.00 11.32 H new ATOM 0 HE2 LYS A 36 -7.223 1.174 9.949 1.00 23.23 H new ATOM 0 HE3 LYS A 36 -7.215 2.895 10.283 1.00 23.23 H new ATOM 0 HZ1 LYS A 36 -6.289 1.641 12.115 1.00 31.12 H new ATOM 0 HZ2 LYS A 36 -7.718 2.417 12.607 1.00 31.12 H new ATOM 0 HZ3 LYS A 36 -7.725 0.751 12.282 1.00 31.12 H new ATOM 570 N GLY A 37 -9.187 5.620 5.415 1.00 33.23 N ATOM 571 CA GLY A 37 -8.932 6.956 4.881 1.00 2.45 C ATOM 572 C GLY A 37 -9.807 8.040 5.498 1.00 10.24 C ATOM 573 O GLY A 37 -9.412 8.703 6.459 1.00 34.02 O ATOM 0 H GLY A 37 -9.915 5.099 4.927 1.00 33.23 H new ATOM 0 HA2 GLY A 37 -7.885 7.210 5.046 1.00 2.45 H new ATOM 0 HA3 GLY A 37 -9.091 6.943 3.803 1.00 2.45 H new ATOM 577 N LYS A 38 -11.000 8.224 4.942 1.00 72.43 N ATOM 578 CA LYS A 38 -11.919 9.272 5.397 1.00 32.03 C ATOM 579 C LYS A 38 -13.378 8.830 5.221 1.00 12.44 C ATOM 580 O LYS A 38 -13.843 8.633 4.095 1.00 14.31 O ATOM 581 CB LYS A 38 -11.655 10.572 4.619 1.00 51.12 C ATOM 582 CG LYS A 38 -12.526 11.749 5.054 1.00 34.12 C ATOM 583 CD LYS A 38 -12.226 13.010 4.246 1.00 51.14 C ATOM 584 CE LYS A 38 -10.807 13.512 4.482 1.00 63.32 C ATOM 585 NZ LYS A 38 -10.593 13.952 5.888 1.00 54.04 N ATOM 0 H LYS A 38 -11.358 7.660 4.171 1.00 72.43 H new ATOM 0 HA LYS A 38 -11.745 9.451 6.458 1.00 32.03 H new ATOM 0 HB2 LYS A 38 -10.607 10.847 4.737 1.00 51.12 H new ATOM 0 HB3 LYS A 38 -11.818 10.387 3.557 1.00 51.12 H new ATOM 0 HG2 LYS A 38 -13.577 11.485 4.938 1.00 34.12 H new ATOM 0 HG3 LYS A 38 -12.363 11.949 6.113 1.00 34.12 H new ATOM 0 HD2 LYS A 38 -12.366 12.803 3.185 1.00 51.14 H new ATOM 0 HD3 LYS A 38 -12.937 13.791 4.515 1.00 51.14 H new ATOM 0 HE2 LYS A 38 -10.098 12.720 4.239 1.00 63.32 H new ATOM 0 HE3 LYS A 38 -10.600 14.343 3.808 1.00 63.32 H new ATOM 0 HZ1 LYS A 38 -9.677 14.439 5.964 1.00 54.04 H new ATOM 0 HZ2 LYS A 38 -11.355 14.602 6.168 1.00 54.04 H new ATOM 0 HZ3 LYS A 38 -10.597 13.123 6.516 1.00 54.04 H new ATOM 599 N GLY A 39 -14.087 8.657 6.336 1.00 11.22 N ATOM 600 CA GLY A 39 -15.478 8.215 6.285 1.00 61.45 C ATOM 601 C GLY A 39 -15.646 6.852 5.612 1.00 74.31 C ATOM 602 O GLY A 39 -15.267 5.819 6.172 1.00 45.41 O ATOM 0 H GLY A 39 -13.725 8.815 7.276 1.00 11.22 H new ATOM 0 HA2 GLY A 39 -15.875 8.165 7.299 1.00 61.45 H new ATOM 0 HA3 GLY A 39 -16.070 8.956 5.747 1.00 61.45 H new ATOM 606 N ALA A 40 -16.199 6.848 4.399 1.00 44.02 N ATOM 607 CA ALA A 40 -16.417 5.606 3.645 1.00 50.24 C ATOM 608 C ALA A 40 -15.229 5.278 2.724 1.00 71.13 C ATOM 609 O ALA A 40 -15.156 4.190 2.151 1.00 42.03 O ATOM 610 CB ALA A 40 -17.706 5.707 2.833 1.00 21.12 C ATOM 0 H ALA A 40 -16.506 7.691 3.914 1.00 44.02 H new ATOM 0 HA ALA A 40 -16.506 4.792 4.364 1.00 50.24 H new ATOM 0 HB1 ALA A 40 -17.859 4.782 2.277 1.00 21.12 H new ATOM 0 HB2 ALA A 40 -18.548 5.870 3.506 1.00 21.12 H new ATOM 0 HB3 ALA A 40 -17.632 6.541 2.135 1.00 21.12 H new ATOM 616 N GLN A 41 -14.305 6.227 2.580 1.00 23.14 N ATOM 617 CA GLN A 41 -13.125 6.048 1.722 1.00 41.13 C ATOM 618 C GLN A 41 -12.030 5.215 2.416 1.00 70.51 C ATOM 619 O GLN A 41 -11.586 5.542 3.521 1.00 31.02 O ATOM 620 CB GLN A 41 -12.562 7.415 1.306 1.00 15.31 C ATOM 621 CG GLN A 41 -13.488 8.206 0.383 1.00 71.22 C ATOM 622 CD GLN A 41 -12.944 9.580 0.013 1.00 43.42 C ATOM 623 OE1 GLN A 41 -13.166 10.073 -1.089 1.00 74.01 O ATOM 624 NE2 GLN A 41 -12.249 10.219 0.933 1.00 40.24 N ATOM 0 H GLN A 41 -14.348 7.133 3.047 1.00 23.14 H new ATOM 0 HA GLN A 41 -13.444 5.500 0.835 1.00 41.13 H new ATOM 0 HB2 GLN A 41 -12.366 8.005 2.201 1.00 15.31 H new ATOM 0 HB3 GLN A 41 -11.605 7.267 0.806 1.00 15.31 H new ATOM 0 HG2 GLN A 41 -13.657 7.633 -0.529 1.00 71.22 H new ATOM 0 HG3 GLN A 41 -14.457 8.326 0.868 1.00 71.22 H new ATOM 0 HE21 GLN A 41 -12.081 9.783 1.840 1.00 40.24 H new ATOM 0 HE22 GLN A 41 -11.879 11.149 0.738 1.00 40.24 H new ATOM 633 N TYR A 42 -11.595 4.145 1.748 1.00 41.01 N ATOM 634 CA TYR A 42 -10.563 3.245 2.287 1.00 34.13 C ATOM 635 C TYR A 42 -9.665 2.688 1.166 1.00 63.21 C ATOM 636 O TYR A 42 -9.934 2.894 -0.016 1.00 52.04 O ATOM 637 CB TYR A 42 -11.227 2.076 3.031 1.00 14.24 C ATOM 638 CG TYR A 42 -12.028 1.156 2.121 1.00 32.43 C ATOM 639 CD1 TYR A 42 -13.314 1.494 1.708 1.00 73.33 C ATOM 640 CD2 TYR A 42 -11.489 -0.044 1.659 1.00 62.51 C ATOM 641 CE1 TYR A 42 -14.032 0.668 0.867 1.00 64.51 C ATOM 642 CE2 TYR A 42 -12.208 -0.873 0.820 1.00 23.14 C ATOM 643 CZ TYR A 42 -13.479 -0.512 0.427 1.00 62.13 C ATOM 644 OH TYR A 42 -14.200 -1.328 -0.415 1.00 0.23 O ATOM 0 H TYR A 42 -11.941 3.876 0.827 1.00 41.01 H new ATOM 0 HA TYR A 42 -9.943 3.821 2.974 1.00 34.13 H new ATOM 0 HB2 TYR A 42 -10.457 1.493 3.537 1.00 14.24 H new ATOM 0 HB3 TYR A 42 -11.885 2.474 3.803 1.00 14.24 H new ATOM 0 HD1 TYR A 42 -13.757 2.417 2.051 1.00 73.33 H new ATOM 0 HD2 TYR A 42 -10.493 -0.330 1.962 1.00 62.51 H new ATOM 0 HE1 TYR A 42 -15.027 0.948 0.555 1.00 64.51 H new ATOM 0 HE2 TYR A 42 -11.776 -1.800 0.473 1.00 23.14 H new ATOM 0 HH TYR A 42 -13.669 -2.122 -0.635 1.00 0.23 H new ATOM 654 N ASN A 43 -8.603 1.985 1.549 1.00 75.02 N ATOM 655 CA ASN A 43 -7.744 1.272 0.591 1.00 0.43 C ATOM 656 C ASN A 43 -7.384 -0.124 1.120 1.00 43.01 C ATOM 657 O ASN A 43 -6.637 -0.254 2.087 1.00 43.34 O ATOM 658 CB ASN A 43 -6.458 2.066 0.316 1.00 52.41 C ATOM 659 CG ASN A 43 -6.704 3.313 -0.513 1.00 2.31 C ATOM 660 OD1 ASN A 43 -6.991 4.384 0.019 1.00 71.02 O ATOM 661 ND2 ASN A 43 -6.594 3.187 -1.820 1.00 2.32 N ATOM 0 H ASN A 43 -8.310 1.890 2.521 1.00 75.02 H new ATOM 0 HA ASN A 43 -8.300 1.167 -0.340 1.00 0.43 H new ATOM 0 HB2 ASN A 43 -6.002 2.350 1.264 1.00 52.41 H new ATOM 0 HB3 ASN A 43 -5.744 1.425 -0.202 1.00 52.41 H new ATOM 0 HD21 ASN A 43 -6.749 3.994 -2.425 1.00 2.32 H new ATOM 0 HD22 ASN A 43 -6.354 2.283 -2.227 1.00 2.32 H new ATOM 668 N LEU A 44 -7.920 -1.166 0.493 1.00 15.43 N ATOM 669 CA LEU A 44 -7.624 -2.547 0.904 1.00 65.23 C ATOM 670 C LEU A 44 -6.329 -3.049 0.247 1.00 64.02 C ATOM 671 O LEU A 44 -6.292 -3.321 -0.956 1.00 12.34 O ATOM 672 CB LEU A 44 -8.795 -3.478 0.551 1.00 73.44 C ATOM 673 CG LEU A 44 -8.610 -4.956 0.950 1.00 54.02 C ATOM 674 CD1 LEU A 44 -8.395 -5.099 2.455 1.00 0.41 C ATOM 675 CD2 LEU A 44 -9.804 -5.793 0.493 1.00 63.54 C ATOM 0 H LEU A 44 -8.559 -1.089 -0.298 1.00 15.43 H new ATOM 0 HA LEU A 44 -7.485 -2.554 1.985 1.00 65.23 H new ATOM 0 HB2 LEU A 44 -9.696 -3.099 1.034 1.00 73.44 H new ATOM 0 HB3 LEU A 44 -8.965 -3.428 -0.525 1.00 73.44 H new ATOM 0 HG LEU A 44 -7.717 -5.328 0.448 1.00 54.02 H new ATOM 0 HD11 LEU A 44 -8.268 -6.152 2.706 1.00 0.41 H new ATOM 0 HD12 LEU A 44 -7.503 -4.545 2.749 1.00 0.41 H new ATOM 0 HD13 LEU A 44 -9.260 -4.702 2.986 1.00 0.41 H new ATOM 0 HD21 LEU A 44 -9.653 -6.832 0.785 1.00 63.54 H new ATOM 0 HD22 LEU A 44 -10.714 -5.414 0.959 1.00 63.54 H new ATOM 0 HD23 LEU A 44 -9.899 -5.731 -0.591 1.00 63.54 H new ATOM 687 N MET A 45 -5.269 -3.174 1.044 1.00 25.41 N ATOM 688 CA MET A 45 -3.954 -3.578 0.529 1.00 33.44 C ATOM 689 C MET A 45 -3.672 -5.064 0.797 1.00 13.44 C ATOM 690 O MET A 45 -4.150 -5.634 1.781 1.00 53.12 O ATOM 691 CB MET A 45 -2.855 -2.731 1.175 1.00 24.34 C ATOM 692 CG MET A 45 -3.035 -1.235 0.982 1.00 55.13 C ATOM 693 SD MET A 45 -2.969 -0.739 -0.749 1.00 53.52 S ATOM 694 CE MET A 45 -1.284 -1.174 -1.168 1.00 14.22 C ATOM 0 H MET A 45 -5.291 -3.002 2.049 1.00 25.41 H new ATOM 0 HA MET A 45 -3.961 -3.420 -0.549 1.00 33.44 H new ATOM 0 HB2 MET A 45 -2.823 -2.948 2.243 1.00 24.34 H new ATOM 0 HB3 MET A 45 -1.891 -3.027 0.761 1.00 24.34 H new ATOM 0 HG2 MET A 45 -3.992 -0.932 1.405 1.00 55.13 H new ATOM 0 HG3 MET A 45 -2.259 -0.706 1.536 1.00 55.13 H new ATOM 0 HE1 MET A 45 -0.989 -0.652 -2.078 1.00 14.22 H new ATOM 0 HE2 MET A 45 -0.620 -0.886 -0.353 1.00 14.22 H new ATOM 0 HE3 MET A 45 -1.215 -2.250 -1.328 1.00 14.22 H new ATOM 704 N GLU A 46 -2.875 -5.679 -0.077 1.00 63.54 N ATOM 705 CA GLU A 46 -2.515 -7.092 0.063 1.00 1.15 C ATOM 706 C GLU A 46 -1.032 -7.340 -0.264 1.00 32.40 C ATOM 707 O GLU A 46 -0.527 -6.885 -1.291 1.00 50.41 O ATOM 708 CB GLU A 46 -3.395 -7.950 -0.854 1.00 14.51 C ATOM 709 CG GLU A 46 -3.073 -9.438 -0.787 1.00 20.54 C ATOM 710 CD GLU A 46 -3.954 -10.268 -1.697 1.00 75.03 C ATOM 711 OE1 GLU A 46 -5.058 -10.659 -1.269 1.00 34.35 O ATOM 712 OE2 GLU A 46 -3.547 -10.535 -2.846 1.00 71.44 O ATOM 0 H GLU A 46 -2.465 -5.221 -0.891 1.00 63.54 H new ATOM 0 HA GLU A 46 -2.681 -7.372 1.103 1.00 1.15 H new ATOM 0 HB2 GLU A 46 -4.441 -7.800 -0.585 1.00 14.51 H new ATOM 0 HB3 GLU A 46 -3.278 -7.607 -1.882 1.00 14.51 H new ATOM 0 HG2 GLU A 46 -2.029 -9.592 -1.059 1.00 20.54 H new ATOM 0 HG3 GLU A 46 -3.189 -9.785 0.240 1.00 20.54 H new ATOM 719 N VAL A 47 -0.343 -8.056 0.624 1.00 22.43 N ATOM 720 CA VAL A 47 1.057 -8.441 0.409 1.00 43.23 C ATOM 721 C VAL A 47 1.176 -9.964 0.237 1.00 64.34 C ATOM 722 O VAL A 47 1.035 -10.719 1.204 1.00 31.54 O ATOM 723 CB VAL A 47 1.956 -7.993 1.591 1.00 11.14 C ATOM 724 CG1 VAL A 47 3.430 -8.263 1.288 1.00 34.14 C ATOM 725 CG2 VAL A 47 1.723 -6.520 1.923 1.00 34.44 C ATOM 0 H VAL A 47 -0.733 -8.385 1.507 1.00 22.43 H new ATOM 0 HA VAL A 47 1.395 -7.940 -0.498 1.00 43.23 H new ATOM 0 HB VAL A 47 1.682 -8.581 2.467 1.00 11.14 H new ATOM 0 HG11 VAL A 47 4.040 -7.940 2.132 1.00 34.14 H new ATOM 0 HG12 VAL A 47 3.578 -9.330 1.121 1.00 34.14 H new ATOM 0 HG13 VAL A 47 3.725 -7.712 0.395 1.00 34.14 H new ATOM 0 HG21 VAL A 47 2.364 -6.229 2.755 1.00 34.44 H new ATOM 0 HG22 VAL A 47 1.959 -5.909 1.052 1.00 34.44 H new ATOM 0 HG23 VAL A 47 0.679 -6.370 2.200 1.00 34.44 H new ATOM 735 N ASP A 48 1.439 -10.414 -0.987 1.00 34.33 N ATOM 736 CA ASP A 48 1.508 -11.849 -1.286 1.00 51.20 C ATOM 737 C ASP A 48 2.788 -12.185 -2.072 1.00 63.21 C ATOM 738 O ASP A 48 3.200 -11.427 -2.947 1.00 2.43 O ATOM 739 CB ASP A 48 0.273 -12.271 -2.096 1.00 54.31 C ATOM 740 CG ASP A 48 0.061 -13.781 -2.124 1.00 3.40 C ATOM 741 OD1 ASP A 48 0.962 -14.514 -2.582 1.00 50.43 O ATOM 742 OD2 ASP A 48 -1.012 -14.245 -1.677 1.00 3.12 O ATOM 0 H ASP A 48 1.608 -9.809 -1.790 1.00 34.33 H new ATOM 0 HA ASP A 48 1.530 -12.397 -0.344 1.00 51.20 H new ATOM 0 HB2 ASP A 48 -0.611 -11.794 -1.673 1.00 54.31 H new ATOM 0 HB3 ASP A 48 0.374 -11.906 -3.118 1.00 54.31 H new ATOM 747 N GLY A 49 3.412 -13.316 -1.741 1.00 45.13 N ATOM 748 CA GLY A 49 4.577 -13.787 -2.488 1.00 33.23 C ATOM 749 C GLY A 49 5.683 -12.746 -2.654 1.00 3.23 C ATOM 750 O GLY A 49 6.149 -12.503 -3.769 1.00 10.13 O ATOM 0 H GLY A 49 3.133 -13.918 -0.967 1.00 45.13 H new ATOM 0 HA2 GLY A 49 4.989 -14.660 -1.982 1.00 33.23 H new ATOM 0 HA3 GLY A 49 4.252 -14.115 -3.475 1.00 33.23 H new ATOM 754 N GLU A 50 6.095 -12.131 -1.539 1.00 61.02 N ATOM 755 CA GLU A 50 7.205 -11.159 -1.520 1.00 40.13 C ATOM 756 C GLU A 50 6.873 -9.832 -2.237 1.00 44.51 C ATOM 757 O GLU A 50 7.773 -9.039 -2.521 1.00 34.44 O ATOM 758 CB GLU A 50 8.474 -11.776 -2.136 1.00 40.43 C ATOM 759 CG GLU A 50 8.953 -13.046 -1.437 1.00 53.14 C ATOM 760 CD GLU A 50 10.235 -13.596 -2.045 1.00 10.42 C ATOM 761 OE1 GLU A 50 11.327 -13.132 -1.655 1.00 25.54 O ATOM 762 OE2 GLU A 50 10.156 -14.493 -2.914 1.00 31.13 O ATOM 0 H GLU A 50 5.672 -12.290 -0.624 1.00 61.02 H new ATOM 0 HA GLU A 50 7.376 -10.919 -0.471 1.00 40.13 H new ATOM 0 HB2 GLU A 50 8.283 -12.002 -3.185 1.00 40.43 H new ATOM 0 HB3 GLU A 50 9.274 -11.036 -2.110 1.00 40.43 H new ATOM 0 HG2 GLU A 50 9.117 -12.836 -0.380 1.00 53.14 H new ATOM 0 HG3 GLU A 50 8.173 -13.805 -1.494 1.00 53.14 H new ATOM 769 N ARG A 51 5.594 -9.569 -2.511 1.00 43.52 N ATOM 770 CA ARG A 51 5.207 -8.319 -3.190 1.00 52.31 C ATOM 771 C ARG A 51 3.827 -7.806 -2.742 1.00 70.41 C ATOM 772 O ARG A 51 3.062 -8.523 -2.099 1.00 31.45 O ATOM 773 CB ARG A 51 5.255 -8.519 -4.709 1.00 50.32 C ATOM 774 CG ARG A 51 4.295 -9.578 -5.245 1.00 61.10 C ATOM 775 CD ARG A 51 4.783 -10.167 -6.570 1.00 34.51 C ATOM 776 NE ARG A 51 5.872 -11.116 -6.358 1.00 21.41 N ATOM 777 CZ ARG A 51 7.146 -10.821 -6.412 1.00 45.21 C ATOM 778 NH1 ARG A 51 7.549 -9.628 -6.717 1.00 1.32 N ATOM 779 NH2 ARG A 51 8.026 -11.729 -6.156 1.00 34.45 N ATOM 0 H ARG A 51 4.817 -10.188 -2.281 1.00 43.52 H new ATOM 0 HA ARG A 51 5.925 -7.550 -2.905 1.00 52.31 H new ATOM 0 HB2 ARG A 51 5.033 -7.568 -5.194 1.00 50.32 H new ATOM 0 HB3 ARG A 51 6.271 -8.792 -4.994 1.00 50.32 H new ATOM 0 HG2 ARG A 51 4.187 -10.376 -4.510 1.00 61.10 H new ATOM 0 HG3 ARG A 51 3.308 -9.137 -5.385 1.00 61.10 H new ATOM 0 HD2 ARG A 51 3.956 -10.666 -7.076 1.00 34.51 H new ATOM 0 HD3 ARG A 51 5.120 -9.364 -7.226 1.00 34.51 H new ATOM 0 HE ARG A 51 5.621 -12.083 -6.152 1.00 21.41 H new ATOM 0 HH11 ARG A 51 6.868 -8.896 -6.921 1.00 1.32 H new ATOM 0 HH12 ARG A 51 8.547 -9.420 -6.753 1.00 1.32 H new ATOM 0 HH21 ARG A 51 7.728 -12.674 -5.912 1.00 34.45 H new ATOM 0 HH22 ARG A 51 9.020 -11.502 -6.197 1.00 34.45 H new ATOM 793 N ILE A 52 3.514 -6.554 -3.094 1.00 4.44 N ATOM 794 CA ILE A 52 2.291 -5.890 -2.614 1.00 74.21 C ATOM 795 C ILE A 52 1.430 -5.342 -3.771 1.00 74.24 C ATOM 796 O ILE A 52 1.944 -4.993 -4.836 1.00 22.40 O ATOM 797 CB ILE A 52 2.650 -4.734 -1.638 1.00 55.30 C ATOM 798 CG1 ILE A 52 1.382 -4.118 -1.017 1.00 73.41 C ATOM 799 CG2 ILE A 52 3.481 -3.663 -2.350 1.00 73.54 C ATOM 800 CD1 ILE A 52 1.665 -3.039 0.008 1.00 0.44 C ATOM 0 H ILE A 52 4.089 -5.978 -3.709 1.00 4.44 H new ATOM 0 HA ILE A 52 1.704 -6.645 -2.091 1.00 74.21 H new ATOM 0 HB ILE A 52 3.250 -5.151 -0.829 1.00 55.30 H new ATOM 0 HG12 ILE A 52 0.767 -3.698 -1.812 1.00 73.41 H new ATOM 0 HG13 ILE A 52 0.798 -4.909 -0.546 1.00 73.41 H new ATOM 0 HG21 ILE A 52 3.721 -2.863 -1.649 1.00 73.54 H new ATOM 0 HG22 ILE A 52 4.403 -4.107 -2.724 1.00 73.54 H new ATOM 0 HG23 ILE A 52 2.911 -3.255 -3.184 1.00 73.54 H new ATOM 0 HD11 ILE A 52 0.724 -2.654 0.400 1.00 0.44 H new ATOM 0 HD12 ILE A 52 2.254 -3.458 0.824 1.00 0.44 H new ATOM 0 HD13 ILE A 52 2.221 -2.228 -0.462 1.00 0.44 H new ATOM 812 N ARG A 53 0.113 -5.284 -3.549 1.00 5.22 N ATOM 813 CA ARG A 53 -0.831 -4.731 -4.529 1.00 54.21 C ATOM 814 C ARG A 53 -2.116 -4.233 -3.844 1.00 12.41 C ATOM 815 O ARG A 53 -2.433 -4.646 -2.727 1.00 65.11 O ATOM 816 CB ARG A 53 -1.166 -5.791 -5.596 1.00 74.44 C ATOM 817 CG ARG A 53 -1.815 -7.073 -5.056 1.00 25.14 C ATOM 818 CD ARG A 53 -3.342 -7.010 -5.062 1.00 43.12 C ATOM 819 NE ARG A 53 -3.943 -8.269 -4.616 1.00 13.31 N ATOM 820 CZ ARG A 53 -5.097 -8.725 -5.031 1.00 54.00 C ATOM 821 NH1 ARG A 53 -5.785 -8.080 -5.918 1.00 0.20 N ATOM 822 NH2 ARG A 53 -5.551 -9.838 -4.555 1.00 72.24 N ATOM 0 H ARG A 53 -0.328 -5.616 -2.691 1.00 5.22 H new ATOM 0 HA ARG A 53 -0.358 -3.876 -5.013 1.00 54.21 H new ATOM 0 HB2 ARG A 53 -1.835 -5.345 -6.332 1.00 74.44 H new ATOM 0 HB3 ARG A 53 -0.249 -6.059 -6.120 1.00 74.44 H new ATOM 0 HG2 ARG A 53 -1.488 -7.922 -5.657 1.00 25.14 H new ATOM 0 HG3 ARG A 53 -1.467 -7.250 -4.038 1.00 25.14 H new ATOM 0 HD2 ARG A 53 -3.674 -6.199 -4.413 1.00 43.12 H new ATOM 0 HD3 ARG A 53 -3.692 -6.777 -6.068 1.00 43.12 H new ATOM 0 HE ARG A 53 -3.427 -8.828 -3.936 1.00 13.31 H new ATOM 0 HH11 ARG A 53 -5.429 -7.205 -6.302 1.00 0.20 H new ATOM 0 HH12 ARG A 53 -6.683 -8.447 -6.233 1.00 0.20 H new ATOM 0 HH21 ARG A 53 -5.010 -10.354 -3.861 1.00 72.24 H new ATOM 0 HH22 ARG A 53 -6.450 -10.200 -4.874 1.00 72.24 H new ATOM 836 N ILE A 54 -2.852 -3.346 -4.514 1.00 21.10 N ATOM 837 CA ILE A 54 -4.142 -2.871 -3.997 1.00 50.54 C ATOM 838 C ILE A 54 -5.274 -3.824 -4.404 1.00 61.12 C ATOM 839 O ILE A 54 -5.572 -3.991 -5.588 1.00 12.31 O ATOM 840 CB ILE A 54 -4.474 -1.432 -4.479 1.00 5.21 C ATOM 841 CG1 ILE A 54 -3.411 -0.448 -3.962 1.00 21.10 C ATOM 842 CG2 ILE A 54 -5.877 -1.015 -4.017 1.00 33.41 C ATOM 843 CD1 ILE A 54 -3.715 1.005 -4.260 1.00 54.12 C ATOM 0 H ILE A 54 -2.582 -2.942 -5.411 1.00 21.10 H new ATOM 0 HA ILE A 54 -4.057 -2.850 -2.911 1.00 50.54 H new ATOM 0 HB ILE A 54 -4.463 -1.415 -5.569 1.00 5.21 H new ATOM 0 HG12 ILE A 54 -3.310 -0.573 -2.884 1.00 21.10 H new ATOM 0 HG13 ILE A 54 -2.448 -0.705 -4.404 1.00 21.10 H new ATOM 0 HG21 ILE A 54 -6.089 -0.004 -4.365 1.00 33.41 H new ATOM 0 HG22 ILE A 54 -6.615 -1.703 -4.429 1.00 33.41 H new ATOM 0 HG23 ILE A 54 -5.924 -1.041 -2.928 1.00 33.41 H new ATOM 0 HD11 ILE A 54 -2.917 1.633 -3.862 1.00 54.12 H new ATOM 0 HD12 ILE A 54 -3.786 1.148 -5.338 1.00 54.12 H new ATOM 0 HD13 ILE A 54 -4.661 1.282 -3.794 1.00 54.12 H new ATOM 855 N LYS A 55 -5.894 -4.445 -3.409 1.00 11.44 N ATOM 856 CA LYS A 55 -6.923 -5.462 -3.636 1.00 51.12 C ATOM 857 C LYS A 55 -8.286 -4.832 -3.993 1.00 40.24 C ATOM 858 O LYS A 55 -9.042 -5.387 -4.796 1.00 31.53 O ATOM 859 CB LYS A 55 -7.037 -6.339 -2.380 1.00 1.23 C ATOM 860 CG LYS A 55 -7.918 -7.572 -2.542 1.00 62.55 C ATOM 861 CD LYS A 55 -7.859 -8.464 -1.306 1.00 12.22 C ATOM 862 CE LYS A 55 -8.682 -9.733 -1.484 1.00 12.41 C ATOM 863 NZ LYS A 55 -10.132 -9.444 -1.658 1.00 72.23 N ATOM 0 H LYS A 55 -5.702 -4.262 -2.424 1.00 11.44 H new ATOM 0 HA LYS A 55 -6.630 -6.074 -4.489 1.00 51.12 H new ATOM 0 HB2 LYS A 55 -6.038 -6.659 -2.085 1.00 1.23 H new ATOM 0 HB3 LYS A 55 -7.431 -5.732 -1.564 1.00 1.23 H new ATOM 0 HG2 LYS A 55 -8.948 -7.264 -2.722 1.00 62.55 H new ATOM 0 HG3 LYS A 55 -7.597 -8.138 -3.417 1.00 62.55 H new ATOM 0 HD2 LYS A 55 -6.822 -8.729 -1.098 1.00 12.22 H new ATOM 0 HD3 LYS A 55 -8.226 -7.911 -0.441 1.00 12.22 H new ATOM 0 HE2 LYS A 55 -8.316 -10.282 -2.352 1.00 12.41 H new ATOM 0 HE3 LYS A 55 -8.544 -10.378 -0.617 1.00 12.41 H new ATOM 0 HZ1 LYS A 55 -10.666 -10.336 -1.657 1.00 72.23 H new ATOM 0 HZ2 LYS A 55 -10.462 -8.841 -0.877 1.00 72.23 H new ATOM 0 HZ3 LYS A 55 -10.282 -8.952 -2.562 1.00 72.23 H new ATOM 877 N GLU A 56 -8.587 -3.674 -3.401 1.00 23.12 N ATOM 878 CA GLU A 56 -9.852 -2.966 -3.667 1.00 23.03 C ATOM 879 C GLU A 56 -9.869 -1.581 -2.995 1.00 3.14 C ATOM 880 O GLU A 56 -9.433 -1.434 -1.854 1.00 71.32 O ATOM 881 CB GLU A 56 -11.042 -3.797 -3.152 1.00 22.22 C ATOM 882 CG GLU A 56 -12.416 -3.180 -3.419 1.00 21.11 C ATOM 883 CD GLU A 56 -12.802 -3.189 -4.893 1.00 55.31 C ATOM 884 OE1 GLU A 56 -12.450 -2.231 -5.616 1.00 21.55 O ATOM 885 OE2 GLU A 56 -13.478 -4.145 -5.332 1.00 21.32 O ATOM 0 H GLU A 56 -7.976 -3.203 -2.734 1.00 23.12 H new ATOM 0 HA GLU A 56 -9.937 -2.830 -4.745 1.00 23.03 H new ATOM 0 HB2 GLU A 56 -11.006 -4.783 -3.614 1.00 22.22 H new ATOM 0 HB3 GLU A 56 -10.927 -3.944 -2.078 1.00 22.22 H new ATOM 0 HG2 GLU A 56 -13.169 -3.725 -2.850 1.00 21.11 H new ATOM 0 HG3 GLU A 56 -12.423 -2.153 -3.055 1.00 21.11 H new ATOM 892 N ASP A 57 -10.379 -0.570 -3.699 1.00 21.22 N ATOM 893 CA ASP A 57 -10.533 0.771 -3.119 1.00 61.21 C ATOM 894 C ASP A 57 -11.684 1.532 -3.795 1.00 55.44 C ATOM 895 O ASP A 57 -11.978 1.320 -4.973 1.00 2.13 O ATOM 896 CB ASP A 57 -9.228 1.573 -3.242 1.00 55.13 C ATOM 897 CG ASP A 57 -8.978 2.085 -4.652 1.00 62.23 C ATOM 898 OD1 ASP A 57 -9.444 3.200 -4.964 1.00 14.15 O ATOM 899 OD2 ASP A 57 -8.324 1.379 -5.441 1.00 5.41 O ATOM 0 H ASP A 57 -10.692 -0.650 -4.667 1.00 21.22 H new ATOM 0 HA ASP A 57 -10.770 0.650 -2.062 1.00 61.21 H new ATOM 0 HB2 ASP A 57 -9.261 2.418 -2.555 1.00 55.13 H new ATOM 0 HB3 ASP A 57 -8.391 0.945 -2.935 1.00 55.13 H new ATOM 904 N ASN A 58 -12.338 2.422 -3.054 1.00 45.14 N ATOM 905 CA ASN A 58 -13.451 3.199 -3.610 1.00 41.42 C ATOM 906 C ASN A 58 -13.009 4.620 -4.004 1.00 74.34 C ATOM 907 O ASN A 58 -13.278 5.594 -3.299 1.00 73.35 O ATOM 908 CB ASN A 58 -14.633 3.236 -2.626 1.00 53.43 C ATOM 909 CG ASN A 58 -14.271 3.809 -1.266 1.00 75.24 C ATOM 910 OD1 ASN A 58 -13.134 3.711 -0.809 1.00 0.05 O ATOM 911 ND2 ASN A 58 -15.238 4.411 -0.607 1.00 24.15 N ATOM 0 H ASN A 58 -12.123 2.625 -2.078 1.00 45.14 H new ATOM 0 HA ASN A 58 -13.782 2.701 -4.521 1.00 41.42 H new ATOM 0 HB2 ASN A 58 -15.438 3.830 -3.059 1.00 53.43 H new ATOM 0 HB3 ASN A 58 -15.018 2.225 -2.495 1.00 53.43 H new ATOM 0 HD21 ASN A 58 -15.055 4.814 0.312 1.00 24.15 H new ATOM 0 HD22 ASN A 58 -16.171 4.475 -1.015 1.00 24.15 H new ATOM 918 N SER A 59 -12.282 4.730 -5.116 1.00 3.14 N ATOM 919 CA SER A 59 -11.880 6.043 -5.654 1.00 12.01 C ATOM 920 C SER A 59 -12.339 6.219 -7.107 1.00 35.54 C ATOM 921 O SER A 59 -12.447 5.247 -7.857 1.00 73.14 O ATOM 922 CB SER A 59 -10.353 6.214 -5.590 1.00 74.51 C ATOM 923 OG SER A 59 -9.697 5.418 -6.567 1.00 10.14 O ATOM 0 H SER A 59 -11.957 3.934 -5.664 1.00 3.14 H new ATOM 0 HA SER A 59 -12.361 6.802 -5.036 1.00 12.01 H new ATOM 0 HB2 SER A 59 -10.097 7.263 -5.742 1.00 74.51 H new ATOM 0 HB3 SER A 59 -9.997 5.940 -4.597 1.00 74.51 H new ATOM 0 HG SER A 59 -9.499 4.535 -6.191 1.00 10.14 H new ATOM 929 N PRO A 60 -12.618 7.467 -7.531 1.00 11.23 N ATOM 930 CA PRO A 60 -12.943 7.769 -8.938 1.00 12.14 C ATOM 931 C PRO A 60 -11.735 7.553 -9.867 1.00 4.45 C ATOM 932 O PRO A 60 -11.888 7.336 -11.070 1.00 20.33 O ATOM 933 CB PRO A 60 -13.344 9.250 -8.901 1.00 15.11 C ATOM 934 CG PRO A 60 -12.659 9.795 -7.693 1.00 24.00 C ATOM 935 CD PRO A 60 -12.660 8.679 -6.686 1.00 74.34 C ATOM 0 HA PRO A 60 -13.724 7.118 -9.331 1.00 12.14 H new ATOM 0 HB2 PRO A 60 -13.026 9.769 -9.805 1.00 15.11 H new ATOM 0 HB3 PRO A 60 -14.425 9.366 -8.830 1.00 15.11 H new ATOM 0 HG2 PRO A 60 -11.642 10.109 -7.928 1.00 24.00 H new ATOM 0 HG3 PRO A 60 -13.182 10.670 -7.308 1.00 24.00 H new ATOM 0 HD2 PRO A 60 -11.799 8.736 -6.020 1.00 74.34 H new ATOM 0 HD3 PRO A 60 -13.551 8.703 -6.059 1.00 74.34 H new ATOM 943 N ASP A 61 -10.538 7.616 -9.288 1.00 23.21 N ATOM 944 CA ASP A 61 -9.287 7.409 -10.023 1.00 74.14 C ATOM 945 C ASP A 61 -9.086 5.925 -10.383 1.00 24.40 C ATOM 946 O ASP A 61 -8.919 5.574 -11.553 1.00 4.42 O ATOM 947 CB ASP A 61 -8.097 7.902 -9.183 1.00 70.12 C ATOM 948 CG ASP A 61 -8.181 9.380 -8.807 1.00 62.33 C ATOM 949 OD1 ASP A 61 -9.242 10.008 -9.023 1.00 4.21 O ATOM 950 OD2 ASP A 61 -7.184 9.916 -8.281 1.00 53.44 O ATOM 0 H ASP A 61 -10.405 7.812 -8.296 1.00 23.21 H new ATOM 0 HA ASP A 61 -9.345 7.980 -10.950 1.00 74.14 H new ATOM 0 HB2 ASP A 61 -8.036 7.307 -8.272 1.00 70.12 H new ATOM 0 HB3 ASP A 61 -7.175 7.729 -9.739 1.00 70.12 H new ATOM 955 N GLN A 62 -9.092 5.063 -9.358 1.00 15.31 N ATOM 956 CA GLN A 62 -8.865 3.615 -9.525 1.00 40.42 C ATOM 957 C GLN A 62 -7.466 3.304 -10.092 1.00 43.43 C ATOM 958 O GLN A 62 -7.181 2.168 -10.475 1.00 75.12 O ATOM 959 CB GLN A 62 -9.956 2.989 -10.412 1.00 20.22 C ATOM 960 CG GLN A 62 -11.347 3.003 -9.782 1.00 23.23 C ATOM 961 CD GLN A 62 -11.438 2.141 -8.530 1.00 21.42 C ATOM 962 OE1 GLN A 62 -11.765 0.962 -8.601 1.00 33.23 O ATOM 963 NE2 GLN A 62 -11.152 2.714 -7.377 1.00 35.43 N ATOM 0 H GLN A 62 -9.253 5.345 -8.391 1.00 15.31 H new ATOM 0 HA GLN A 62 -8.919 3.169 -8.532 1.00 40.42 H new ATOM 0 HB2 GLN A 62 -9.992 3.525 -11.360 1.00 20.22 H new ATOM 0 HB3 GLN A 62 -9.680 1.959 -10.638 1.00 20.22 H new ATOM 0 HG2 GLN A 62 -11.617 4.029 -9.531 1.00 23.23 H new ATOM 0 HG3 GLN A 62 -12.075 2.652 -10.513 1.00 23.23 H new ATOM 0 HE21 GLN A 62 -10.883 3.697 -7.349 1.00 35.43 H new ATOM 0 HE22 GLN A 62 -11.200 2.174 -6.513 1.00 35.43 H new ATOM 972 N VAL A 63 -6.591 4.313 -10.118 1.00 73.23 N ATOM 973 CA VAL A 63 -5.213 4.143 -10.598 1.00 13.53 C ATOM 974 C VAL A 63 -4.484 3.040 -9.814 1.00 15.13 C ATOM 975 O VAL A 63 -3.686 2.283 -10.373 1.00 21.24 O ATOM 976 CB VAL A 63 -4.409 5.466 -10.490 1.00 53.21 C ATOM 977 CG1 VAL A 63 -2.982 5.290 -11.015 1.00 33.23 C ATOM 978 CG2 VAL A 63 -5.125 6.594 -11.234 1.00 34.32 C ATOM 0 H VAL A 63 -6.812 5.260 -9.811 1.00 73.23 H new ATOM 0 HA VAL A 63 -5.276 3.853 -11.647 1.00 13.53 H new ATOM 0 HB VAL A 63 -4.346 5.736 -9.436 1.00 53.21 H new ATOM 0 HG11 VAL A 63 -2.443 6.233 -10.927 1.00 33.23 H new ATOM 0 HG12 VAL A 63 -2.471 4.524 -10.431 1.00 33.23 H new ATOM 0 HG13 VAL A 63 -3.014 4.987 -12.062 1.00 33.23 H new ATOM 0 HG21 VAL A 63 -4.545 7.513 -11.146 1.00 34.32 H new ATOM 0 HG22 VAL A 63 -5.227 6.328 -12.286 1.00 34.32 H new ATOM 0 HG23 VAL A 63 -6.113 6.746 -10.800 1.00 34.32 H new ATOM 988 N GLY A 64 -4.777 2.952 -8.516 1.00 73.32 N ATOM 989 CA GLY A 64 -4.195 1.908 -7.679 1.00 73.12 C ATOM 990 C GLY A 64 -4.505 0.500 -8.182 1.00 22.13 C ATOM 991 O GLY A 64 -3.615 -0.344 -8.285 1.00 22.25 O ATOM 0 H GLY A 64 -5.409 3.586 -8.027 1.00 73.32 H new ATOM 0 HA2 GLY A 64 -3.114 2.043 -7.637 1.00 73.12 H new ATOM 0 HA3 GLY A 64 -4.569 2.015 -6.661 1.00 73.12 H new ATOM 995 N VAL A 65 -5.777 0.252 -8.500 1.00 34.44 N ATOM 996 CA VAL A 65 -6.203 -1.026 -9.079 1.00 15.15 C ATOM 997 C VAL A 65 -5.454 -1.320 -10.393 1.00 74.24 C ATOM 998 O VAL A 65 -5.019 -2.447 -10.642 1.00 74.13 O ATOM 999 CB VAL A 65 -7.731 -1.032 -9.343 1.00 14.41 C ATOM 1000 CG1 VAL A 65 -8.192 -2.375 -9.905 1.00 23.14 C ATOM 1001 CG2 VAL A 65 -8.497 -0.684 -8.067 1.00 52.12 C ATOM 0 H VAL A 65 -6.534 0.922 -8.366 1.00 34.44 H new ATOM 0 HA VAL A 65 -5.963 -1.805 -8.356 1.00 15.15 H new ATOM 0 HB VAL A 65 -7.945 -0.270 -10.092 1.00 14.41 H new ATOM 0 HG11 VAL A 65 -9.268 -2.347 -10.079 1.00 23.14 H new ATOM 0 HG12 VAL A 65 -7.677 -2.572 -10.845 1.00 23.14 H new ATOM 0 HG13 VAL A 65 -7.961 -3.166 -9.192 1.00 23.14 H new ATOM 0 HG21 VAL A 65 -9.568 -0.693 -8.271 1.00 52.12 H new ATOM 0 HG22 VAL A 65 -8.269 -1.418 -7.294 1.00 52.12 H new ATOM 0 HG23 VAL A 65 -8.201 0.308 -7.724 1.00 52.12 H new ATOM 1011 N LYS A 66 -5.292 -0.289 -11.226 1.00 31.24 N ATOM 1012 CA LYS A 66 -4.583 -0.421 -12.509 1.00 73.34 C ATOM 1013 C LYS A 66 -3.082 -0.704 -12.318 1.00 2.32 C ATOM 1014 O LYS A 66 -2.453 -1.344 -13.162 1.00 3.32 O ATOM 1015 CB LYS A 66 -4.780 0.844 -13.367 1.00 63.01 C ATOM 1016 CG LYS A 66 -6.080 0.860 -14.173 1.00 34.51 C ATOM 1017 CD LYS A 66 -7.319 0.744 -13.288 1.00 22.01 C ATOM 1018 CE LYS A 66 -8.599 0.645 -14.112 1.00 51.10 C ATOM 1019 NZ LYS A 66 -8.571 -0.516 -15.041 1.00 12.14 N ATOM 0 H LYS A 66 -5.642 0.650 -11.038 1.00 31.24 H new ATOM 0 HA LYS A 66 -5.014 -1.278 -13.027 1.00 73.34 H new ATOM 0 HB2 LYS A 66 -4.759 1.718 -12.716 1.00 63.01 H new ATOM 0 HB3 LYS A 66 -3.939 0.938 -14.054 1.00 63.01 H new ATOM 0 HG2 LYS A 66 -6.135 1.783 -14.750 1.00 34.51 H new ATOM 0 HG3 LYS A 66 -6.070 0.038 -14.888 1.00 34.51 H new ATOM 0 HD2 LYS A 66 -7.229 -0.135 -12.650 1.00 22.01 H new ATOM 0 HD3 LYS A 66 -7.377 1.611 -12.629 1.00 22.01 H new ATOM 0 HE2 LYS A 66 -9.455 0.555 -13.444 1.00 51.10 H new ATOM 0 HE3 LYS A 66 -8.736 1.564 -14.683 1.00 51.10 H new ATOM 0 HZ1 LYS A 66 -9.534 -0.713 -15.379 1.00 12.14 H new ATOM 0 HZ2 LYS A 66 -7.958 -0.297 -15.852 1.00 12.14 H new ATOM 0 HZ3 LYS A 66 -8.201 -1.351 -14.543 1.00 12.14 H new ATOM 1033 N MET A 67 -2.511 -0.221 -11.213 1.00 25.43 N ATOM 1034 CA MET A 67 -1.095 -0.478 -10.897 1.00 0.42 C ATOM 1035 C MET A 67 -0.798 -1.985 -10.789 1.00 3.40 C ATOM 1036 O MET A 67 0.226 -2.463 -11.285 1.00 71.32 O ATOM 1037 CB MET A 67 -0.696 0.223 -9.588 1.00 71.34 C ATOM 1038 CG MET A 67 -0.583 1.737 -9.707 1.00 33.42 C ATOM 1039 SD MET A 67 0.742 2.242 -10.824 1.00 3.44 S ATOM 1040 CE MET A 67 0.681 4.024 -10.642 1.00 3.41 C ATOM 0 H MET A 67 -3.000 0.348 -10.522 1.00 25.43 H new ATOM 0 HA MET A 67 -0.504 -0.073 -11.719 1.00 0.42 H new ATOM 0 HB2 MET A 67 -1.431 -0.017 -8.820 1.00 71.34 H new ATOM 0 HB3 MET A 67 0.260 -0.177 -9.250 1.00 71.34 H new ATOM 0 HG2 MET A 67 -1.530 2.142 -10.064 1.00 33.42 H new ATOM 0 HG3 MET A 67 -0.405 2.164 -8.720 1.00 33.42 H new ATOM 0 HE1 MET A 67 1.539 4.471 -11.144 1.00 3.41 H new ATOM 0 HE2 MET A 67 -0.238 4.404 -11.088 1.00 3.41 H new ATOM 0 HE3 MET A 67 0.704 4.283 -9.583 1.00 3.41 H new ATOM 1050 N GLY A 68 -1.698 -2.723 -10.144 1.00 73.44 N ATOM 1051 CA GLY A 68 -1.517 -4.161 -9.972 1.00 43.11 C ATOM 1052 C GLY A 68 -0.423 -4.511 -8.968 1.00 34.13 C ATOM 1053 O GLY A 68 -0.302 -3.871 -7.922 1.00 35.31 O ATOM 0 H GLY A 68 -2.555 -2.351 -9.734 1.00 73.44 H new ATOM 0 HA2 GLY A 68 -2.458 -4.603 -9.644 1.00 43.11 H new ATOM 0 HA3 GLY A 68 -1.274 -4.608 -10.936 1.00 43.11 H new ATOM 1057 N TRP A 69 0.375 -5.531 -9.285 1.00 1.22 N ATOM 1058 CA TRP A 69 1.449 -5.984 -8.394 1.00 54.12 C ATOM 1059 C TRP A 69 2.714 -5.113 -8.545 1.00 35.11 C ATOM 1060 O TRP A 69 3.187 -4.877 -9.657 1.00 2.41 O ATOM 1061 CB TRP A 69 1.792 -7.455 -8.679 1.00 12.10 C ATOM 1062 CG TRP A 69 0.639 -8.406 -8.477 1.00 3.44 C ATOM 1063 CD1 TRP A 69 -0.289 -8.784 -9.407 1.00 43.15 C ATOM 1064 CD2 TRP A 69 0.304 -9.110 -7.274 1.00 32.21 C ATOM 1065 NE1 TRP A 69 -1.176 -9.673 -8.853 1.00 1.33 N ATOM 1066 CE2 TRP A 69 -0.838 -9.887 -7.547 1.00 52.33 C ATOM 1067 CE3 TRP A 69 0.854 -9.155 -5.992 1.00 44.04 C ATOM 1068 CZ2 TRP A 69 -1.433 -10.700 -6.586 1.00 4.20 C ATOM 1069 CZ3 TRP A 69 0.264 -9.961 -5.037 1.00 23.11 C ATOM 1070 CH2 TRP A 69 -0.872 -10.726 -5.339 1.00 45.43 C ATOM 0 H TRP A 69 0.299 -6.061 -10.153 1.00 1.22 H new ATOM 0 HA TRP A 69 1.091 -5.887 -7.369 1.00 54.12 H new ATOM 0 HB2 TRP A 69 2.145 -7.542 -9.706 1.00 12.10 H new ATOM 0 HB3 TRP A 69 2.616 -7.757 -8.032 1.00 12.10 H new ATOM 0 HD1 TRP A 69 -0.320 -8.434 -10.428 1.00 43.15 H new ATOM 0 HE1 TRP A 69 -1.962 -10.105 -9.339 1.00 1.33 H new ATOM 0 HE3 TRP A 69 1.728 -8.568 -5.750 1.00 44.04 H new ATOM 0 HZ2 TRP A 69 -2.308 -11.290 -6.817 1.00 4.20 H new ATOM 0 HZ3 TRP A 69 0.684 -10.002 -4.043 1.00 23.11 H new ATOM 0 HH2 TRP A 69 -1.312 -11.347 -4.573 1.00 45.43 H new ATOM 1081 N LYS A 70 3.243 -4.637 -7.418 1.00 52.43 N ATOM 1082 CA LYS A 70 4.477 -3.827 -7.393 1.00 24.11 C ATOM 1083 C LYS A 70 5.475 -4.404 -6.368 1.00 33.13 C ATOM 1084 O LYS A 70 5.062 -4.970 -5.350 1.00 1.02 O ATOM 1085 CB LYS A 70 4.146 -2.367 -7.028 1.00 41.13 C ATOM 1086 CG LYS A 70 3.231 -1.650 -8.022 1.00 14.55 C ATOM 1087 CD LYS A 70 3.928 -1.390 -9.354 1.00 0.22 C ATOM 1088 CE LYS A 70 3.032 -0.618 -10.319 1.00 40.44 C ATOM 1089 NZ LYS A 70 3.720 -0.321 -11.604 1.00 32.41 N ATOM 0 H LYS A 70 2.836 -4.797 -6.496 1.00 52.43 H new ATOM 0 HA LYS A 70 4.929 -3.855 -8.384 1.00 24.11 H new ATOM 0 HB2 LYS A 70 3.675 -2.351 -6.045 1.00 41.13 H new ATOM 0 HB3 LYS A 70 5.078 -1.808 -6.945 1.00 41.13 H new ATOM 0 HG2 LYS A 70 2.338 -2.251 -8.191 1.00 14.55 H new ATOM 0 HG3 LYS A 70 2.902 -0.703 -7.594 1.00 14.55 H new ATOM 0 HD2 LYS A 70 4.846 -0.828 -9.181 1.00 0.22 H new ATOM 0 HD3 LYS A 70 4.216 -2.339 -9.805 1.00 0.22 H new ATOM 0 HE2 LYS A 70 2.129 -1.196 -10.517 1.00 40.44 H new ATOM 0 HE3 LYS A 70 2.717 0.315 -9.853 1.00 40.44 H new ATOM 0 HZ1 LYS A 70 3.076 0.204 -12.229 1.00 32.41 H new ATOM 0 HZ2 LYS A 70 4.568 0.253 -11.419 1.00 32.41 H new ATOM 0 HZ3 LYS A 70 3.998 -1.212 -12.063 1.00 32.41 H new ATOM 1103 N SER A 71 6.783 -4.264 -6.624 1.00 3.32 N ATOM 1104 CA SER A 71 7.803 -4.810 -5.700 1.00 3.42 C ATOM 1105 C SER A 71 9.240 -4.454 -6.097 1.00 32.21 C ATOM 1106 O SER A 71 10.175 -5.169 -5.733 1.00 21.42 O ATOM 1107 CB SER A 71 7.687 -6.340 -5.612 1.00 71.54 C ATOM 1108 OG SER A 71 7.954 -6.963 -6.863 1.00 70.23 O ATOM 0 H SER A 71 7.161 -3.789 -7.444 1.00 3.32 H new ATOM 0 HA SER A 71 7.600 -4.348 -4.734 1.00 3.42 H new ATOM 0 HB2 SER A 71 8.385 -6.715 -4.863 1.00 71.54 H new ATOM 0 HB3 SER A 71 6.685 -6.610 -5.278 1.00 71.54 H new ATOM 0 HG SER A 71 8.816 -7.427 -6.820 1.00 70.23 H new ATOM 1114 N LYS A 72 9.442 -3.358 -6.821 1.00 21.42 N ATOM 1115 CA LYS A 72 10.799 -2.958 -7.228 1.00 30.23 C ATOM 1116 C LYS A 72 11.160 -1.570 -6.684 1.00 44.02 C ATOM 1117 O LYS A 72 10.306 -0.686 -6.589 1.00 43.45 O ATOM 1118 CB LYS A 72 10.939 -2.978 -8.758 1.00 51.22 C ATOM 1119 CG LYS A 72 10.537 -4.306 -9.402 1.00 31.24 C ATOM 1120 CD LYS A 72 11.272 -5.501 -8.792 1.00 62.02 C ATOM 1121 CE LYS A 72 12.782 -5.427 -9.003 1.00 40.22 C ATOM 1122 NZ LYS A 72 13.484 -6.581 -8.381 1.00 75.33 N ATOM 0 H LYS A 72 8.700 -2.734 -7.138 1.00 21.42 H new ATOM 0 HA LYS A 72 11.494 -3.682 -6.802 1.00 30.23 H new ATOM 0 HB2 LYS A 72 10.326 -2.181 -9.179 1.00 51.22 H new ATOM 0 HB3 LYS A 72 11.973 -2.757 -9.021 1.00 51.22 H new ATOM 0 HG2 LYS A 72 9.462 -4.449 -9.290 1.00 31.24 H new ATOM 0 HG3 LYS A 72 10.743 -4.264 -10.471 1.00 31.24 H new ATOM 0 HD2 LYS A 72 11.059 -5.548 -7.724 1.00 62.02 H new ATOM 0 HD3 LYS A 72 10.891 -6.422 -9.234 1.00 62.02 H new ATOM 0 HE2 LYS A 72 12.999 -5.402 -10.071 1.00 40.22 H new ATOM 0 HE3 LYS A 72 13.163 -4.498 -8.579 1.00 40.22 H new ATOM 0 HZ1 LYS A 72 14.496 -6.540 -8.617 1.00 75.33 H new ATOM 0 HZ2 LYS A 72 13.368 -6.542 -7.348 1.00 75.33 H new ATOM 0 HZ3 LYS A 72 13.080 -7.469 -8.742 1.00 75.33 H new ATOM 1136 N ALA A 73 12.434 -1.385 -6.324 1.00 22.22 N ATOM 1137 CA ALA A 73 12.910 -0.106 -5.787 1.00 11.53 C ATOM 1138 C ALA A 73 12.681 1.037 -6.789 1.00 15.02 C ATOM 1139 O ALA A 73 13.475 1.246 -7.709 1.00 1.24 O ATOM 1140 CB ALA A 73 14.386 -0.201 -5.404 1.00 15.31 C ATOM 0 H ALA A 73 13.154 -2.104 -6.395 1.00 22.22 H new ATOM 0 HA ALA A 73 12.334 0.117 -4.889 1.00 11.53 H new ATOM 0 HB1 ALA A 73 14.721 0.757 -5.008 1.00 15.31 H new ATOM 0 HB2 ALA A 73 14.516 -0.973 -4.646 1.00 15.31 H new ATOM 0 HB3 ALA A 73 14.975 -0.455 -6.285 1.00 15.31 H new ATOM 1146 N GLY A 74 11.577 1.755 -6.613 1.00 43.03 N ATOM 1147 CA GLY A 74 11.207 2.818 -7.541 1.00 31.43 C ATOM 1148 C GLY A 74 9.699 2.924 -7.743 1.00 42.14 C ATOM 1149 O GLY A 74 9.184 3.995 -8.074 1.00 42.43 O ATOM 0 H GLY A 74 10.925 1.621 -5.840 1.00 43.03 H new ATOM 0 HA2 GLY A 74 11.587 3.769 -7.168 1.00 31.43 H new ATOM 0 HA3 GLY A 74 11.687 2.638 -8.503 1.00 31.43 H new ATOM 1153 N ASP A 75 8.990 1.810 -7.549 1.00 14.04 N ATOM 1154 CA ASP A 75 7.528 1.788 -7.683 1.00 45.23 C ATOM 1155 C ASP A 75 6.847 2.672 -6.622 1.00 11.33 C ATOM 1156 O ASP A 75 7.210 2.640 -5.444 1.00 22.32 O ATOM 1157 CB ASP A 75 6.996 0.350 -7.574 1.00 63.32 C ATOM 1158 CG ASP A 75 7.451 -0.544 -8.718 1.00 40.53 C ATOM 1159 OD1 ASP A 75 7.495 -0.063 -9.873 1.00 64.12 O ATOM 1160 OD2 ASP A 75 7.746 -1.736 -8.471 1.00 24.44 O ATOM 0 H ASP A 75 9.402 0.911 -7.299 1.00 14.04 H new ATOM 0 HA ASP A 75 7.288 2.189 -8.668 1.00 45.23 H new ATOM 0 HB2 ASP A 75 7.326 -0.082 -6.630 1.00 63.32 H new ATOM 0 HB3 ASP A 75 5.907 0.373 -7.550 1.00 63.32 H new ATOM 1165 N THR A 76 5.861 3.462 -7.051 1.00 61.33 N ATOM 1166 CA THR A 76 5.101 4.330 -6.136 1.00 14.14 C ATOM 1167 C THR A 76 3.600 4.317 -6.460 1.00 11.50 C ATOM 1168 O THR A 76 3.202 4.282 -7.623 1.00 23.14 O ATOM 1169 CB THR A 76 5.611 5.798 -6.172 1.00 41.13 C ATOM 1170 OG1 THR A 76 5.672 6.277 -7.527 1.00 34.01 O ATOM 1171 CG2 THR A 76 6.986 5.925 -5.522 1.00 40.54 C ATOM 0 H THR A 76 5.566 3.522 -8.026 1.00 61.33 H new ATOM 0 HA THR A 76 5.257 3.925 -5.136 1.00 14.14 H new ATOM 0 HB THR A 76 4.904 6.405 -5.606 1.00 41.13 H new ATOM 0 HG1 THR A 76 5.993 7.203 -7.533 1.00 34.01 H new ATOM 0 HG21 THR A 76 7.314 6.964 -5.564 1.00 40.54 H new ATOM 0 HG22 THR A 76 6.928 5.604 -4.482 1.00 40.54 H new ATOM 0 HG23 THR A 76 7.700 5.298 -6.056 1.00 40.54 H new ATOM 1179 N ILE A 77 2.772 4.353 -5.416 1.00 1.31 N ATOM 1180 CA ILE A 77 1.310 4.336 -5.564 1.00 51.02 C ATOM 1181 C ILE A 77 0.701 5.660 -5.076 1.00 45.51 C ATOM 1182 O ILE A 77 1.019 6.127 -3.979 1.00 21.33 O ATOM 1183 CB ILE A 77 0.678 3.169 -4.759 1.00 2.11 C ATOM 1184 CG1 ILE A 77 1.351 1.828 -5.106 1.00 4.11 C ATOM 1185 CG2 ILE A 77 -0.830 3.093 -5.007 1.00 55.05 C ATOM 1186 CD1 ILE A 77 1.212 1.416 -6.560 1.00 44.10 C ATOM 0 H ILE A 77 3.090 4.395 -4.448 1.00 1.31 H new ATOM 0 HA ILE A 77 1.094 4.199 -6.623 1.00 51.02 H new ATOM 0 HB ILE A 77 0.843 3.366 -3.700 1.00 2.11 H new ATOM 0 HG12 ILE A 77 2.411 1.892 -4.859 1.00 4.11 H new ATOM 0 HG13 ILE A 77 0.924 1.047 -4.477 1.00 4.11 H new ATOM 0 HG21 ILE A 77 -1.252 2.268 -4.433 1.00 55.05 H new ATOM 0 HG22 ILE A 77 -1.297 4.028 -4.697 1.00 55.05 H new ATOM 0 HG23 ILE A 77 -1.016 2.929 -6.068 1.00 55.05 H new ATOM 0 HD11 ILE A 77 1.714 0.461 -6.717 1.00 44.10 H new ATOM 0 HD12 ILE A 77 0.156 1.316 -6.810 1.00 44.10 H new ATOM 0 HD13 ILE A 77 1.666 2.174 -7.198 1.00 44.10 H new ATOM 1198 N VAL A 78 -0.171 6.261 -5.886 1.00 21.13 N ATOM 1199 CA VAL A 78 -0.787 7.554 -5.542 1.00 61.35 C ATOM 1200 C VAL A 78 -2.325 7.478 -5.535 1.00 13.22 C ATOM 1201 O VAL A 78 -2.944 7.156 -6.549 1.00 31.53 O ATOM 1202 CB VAL A 78 -0.345 8.665 -6.532 1.00 63.04 C ATOM 1203 CG1 VAL A 78 -0.932 10.022 -6.138 1.00 14.24 C ATOM 1204 CG2 VAL A 78 1.179 8.739 -6.626 1.00 14.12 C ATOM 0 H VAL A 78 -0.470 5.879 -6.783 1.00 21.13 H new ATOM 0 HA VAL A 78 -0.444 7.799 -4.537 1.00 61.35 H new ATOM 0 HB VAL A 78 -0.733 8.406 -7.517 1.00 63.04 H new ATOM 0 HG11 VAL A 78 -0.605 10.780 -6.850 1.00 14.24 H new ATOM 0 HG12 VAL A 78 -2.020 9.963 -6.145 1.00 14.24 H new ATOM 0 HG13 VAL A 78 -0.589 10.290 -5.139 1.00 14.24 H new ATOM 0 HG21 VAL A 78 1.463 9.525 -7.326 1.00 14.12 H new ATOM 0 HG22 VAL A 78 1.594 8.962 -5.643 1.00 14.12 H new ATOM 0 HG23 VAL A 78 1.569 7.783 -6.976 1.00 14.12 H new ATOM 1214 N CYS A 79 -2.932 7.760 -4.380 1.00 5.44 N ATOM 1215 CA CYS A 79 -4.400 7.843 -4.258 1.00 53.40 C ATOM 1216 C CYS A 79 -4.829 9.225 -3.745 1.00 73.24 C ATOM 1217 O CYS A 79 -4.975 9.432 -2.537 1.00 73.34 O ATOM 1218 CB CYS A 79 -4.938 6.752 -3.319 1.00 63.12 C ATOM 1219 SG CYS A 79 -4.722 5.063 -3.928 1.00 33.22 S ATOM 0 H CYS A 79 -2.432 7.936 -3.509 1.00 5.44 H new ATOM 0 HA CYS A 79 -4.821 7.689 -5.252 1.00 53.40 H new ATOM 0 HB2 CYS A 79 -4.439 6.843 -2.354 1.00 63.12 H new ATOM 0 HB3 CYS A 79 -6.000 6.930 -3.147 1.00 63.12 H new ATOM 0 HG CYS A 79 -4.379 4.287 -2.943 1.00 33.22 H new ATOM 1225 N LEU A 80 -5.042 10.163 -4.671 1.00 32.32 N ATOM 1226 CA LEU A 80 -5.356 11.557 -4.318 1.00 20.20 C ATOM 1227 C LEU A 80 -6.638 11.692 -3.465 1.00 34.35 C ATOM 1228 O LEU A 80 -6.591 12.276 -2.382 1.00 41.21 O ATOM 1229 CB LEU A 80 -5.457 12.426 -5.587 1.00 5.24 C ATOM 1230 CG LEU A 80 -4.179 12.502 -6.439 1.00 14.34 C ATOM 1231 CD1 LEU A 80 -4.423 13.313 -7.709 1.00 35.03 C ATOM 1232 CD2 LEU A 80 -3.020 13.094 -5.633 1.00 62.14 C ATOM 0 H LEU A 80 -5.003 9.985 -5.675 1.00 32.32 H new ATOM 0 HA LEU A 80 -4.532 11.915 -3.700 1.00 20.20 H new ATOM 0 HB2 LEU A 80 -6.265 12.039 -6.208 1.00 5.24 H new ATOM 0 HB3 LEU A 80 -5.738 13.437 -5.293 1.00 5.24 H new ATOM 0 HG LEU A 80 -3.906 11.487 -6.729 1.00 14.34 H new ATOM 0 HD11 LEU A 80 -3.506 13.354 -8.297 1.00 35.03 H new ATOM 0 HD12 LEU A 80 -5.210 12.840 -8.297 1.00 35.03 H new ATOM 0 HD13 LEU A 80 -4.728 14.325 -7.442 1.00 35.03 H new ATOM 0 HD21 LEU A 80 -2.127 13.137 -6.257 1.00 62.14 H new ATOM 0 HD22 LEU A 80 -3.282 14.100 -5.304 1.00 62.14 H new ATOM 0 HD23 LEU A 80 -2.824 12.467 -4.763 1.00 62.14 H new ATOM 1244 N PRO A 81 -7.800 11.145 -3.906 1.00 10.12 N ATOM 1245 CA PRO A 81 -9.070 11.305 -3.167 1.00 51.55 C ATOM 1246 C PRO A 81 -9.034 10.671 -1.764 1.00 33.40 C ATOM 1247 O PRO A 81 -9.843 10.995 -0.898 1.00 20.42 O ATOM 1248 CB PRO A 81 -10.105 10.589 -4.055 1.00 14.22 C ATOM 1249 CG PRO A 81 -9.455 10.467 -5.395 1.00 65.44 C ATOM 1250 CD PRO A 81 -7.983 10.337 -5.126 1.00 64.15 C ATOM 0 HA PRO A 81 -9.295 12.357 -2.990 1.00 51.55 H new ATOM 0 HB2 PRO A 81 -10.360 9.609 -3.651 1.00 14.22 H new ATOM 0 HB3 PRO A 81 -11.032 11.159 -4.117 1.00 14.22 H new ATOM 0 HG2 PRO A 81 -9.832 9.598 -5.935 1.00 65.44 H new ATOM 0 HG3 PRO A 81 -9.664 11.341 -6.012 1.00 65.44 H new ATOM 0 HD2 PRO A 81 -7.691 9.298 -4.971 1.00 64.15 H new ATOM 0 HD3 PRO A 81 -7.385 10.716 -5.955 1.00 64.15 H new ATOM 1258 N HIS A 82 -8.088 9.756 -1.549 1.00 11.43 N ATOM 1259 CA HIS A 82 -7.949 9.072 -0.256 1.00 73.24 C ATOM 1260 C HIS A 82 -6.757 9.619 0.552 1.00 42.01 C ATOM 1261 O HIS A 82 -6.551 9.227 1.700 1.00 32.51 O ATOM 1262 CB HIS A 82 -7.796 7.557 -0.472 1.00 54.33 C ATOM 1263 CG HIS A 82 -9.002 6.897 -1.083 1.00 4.22 C ATOM 1264 ND1 HIS A 82 -9.227 5.538 -1.028 1.00 72.33 N ATOM 1265 CD2 HIS A 82 -10.049 7.413 -1.772 1.00 3.30 C ATOM 1266 CE1 HIS A 82 -10.348 5.248 -1.654 1.00 50.12 C ATOM 1267 NE2 HIS A 82 -10.867 6.366 -2.113 1.00 33.11 N ATOM 0 H HIS A 82 -7.406 9.469 -2.251 1.00 11.43 H new ATOM 0 HA HIS A 82 -8.854 9.263 0.320 1.00 73.24 H new ATOM 0 HB2 HIS A 82 -6.933 7.378 -1.114 1.00 54.33 H new ATOM 0 HB3 HIS A 82 -7.583 7.084 0.487 1.00 54.33 H new ATOM 0 HD1 HIS A 82 -8.617 4.860 -0.571 1.00 72.33 H new ATOM 0 HD2 HIS A 82 -10.209 8.455 -2.008 1.00 3.30 H new ATOM 0 HE1 HIS A 82 -10.770 4.261 -1.771 1.00 50.12 H new ATOM 1276 N LYS A 83 -5.983 10.529 -0.062 1.00 72.21 N ATOM 1277 CA LYS A 83 -4.799 11.131 0.576 1.00 75.44 C ATOM 1278 C LYS A 83 -3.770 10.066 0.999 1.00 13.52 C ATOM 1279 O LYS A 83 -3.068 10.224 2.001 1.00 61.24 O ATOM 1280 CB LYS A 83 -5.224 11.987 1.784 1.00 53.23 C ATOM 1281 CG LYS A 83 -6.165 13.133 1.414 1.00 32.20 C ATOM 1282 CD LYS A 83 -6.536 13.984 2.627 1.00 71.14 C ATOM 1283 CE LYS A 83 -7.474 15.129 2.254 1.00 72.14 C ATOM 1284 NZ LYS A 83 -6.876 16.033 1.235 1.00 45.33 N ATOM 0 H LYS A 83 -6.158 10.867 -1.008 1.00 72.21 H new ATOM 0 HA LYS A 83 -4.315 11.772 -0.161 1.00 75.44 H new ATOM 0 HB2 LYS A 83 -5.713 11.348 2.519 1.00 53.23 H new ATOM 0 HB3 LYS A 83 -4.334 12.397 2.261 1.00 53.23 H new ATOM 0 HG2 LYS A 83 -5.691 13.763 0.661 1.00 32.20 H new ATOM 0 HG3 LYS A 83 -7.072 12.727 0.965 1.00 32.20 H new ATOM 0 HD2 LYS A 83 -7.012 13.355 3.380 1.00 71.14 H new ATOM 0 HD3 LYS A 83 -5.630 14.389 3.077 1.00 71.14 H new ATOM 0 HE2 LYS A 83 -8.409 14.721 1.871 1.00 72.14 H new ATOM 0 HE3 LYS A 83 -7.719 15.703 3.148 1.00 72.14 H new ATOM 0 HZ1 LYS A 83 -7.439 16.905 1.172 1.00 45.33 H new ATOM 0 HZ2 LYS A 83 -5.901 16.269 1.510 1.00 45.33 H new ATOM 0 HZ3 LYS A 83 -6.869 15.557 0.310 1.00 45.33 H new ATOM 1298 N VAL A 84 -3.669 8.998 0.205 1.00 11.14 N ATOM 1299 CA VAL A 84 -2.737 7.893 0.478 1.00 71.43 C ATOM 1300 C VAL A 84 -1.577 7.877 -0.532 1.00 71.31 C ATOM 1301 O VAL A 84 -1.795 7.975 -1.742 1.00 74.41 O ATOM 1302 CB VAL A 84 -3.458 6.519 0.427 1.00 61.34 C ATOM 1303 CG1 VAL A 84 -2.490 5.381 0.752 1.00 10.21 C ATOM 1304 CG2 VAL A 84 -4.658 6.495 1.372 1.00 5.23 C ATOM 0 H VAL A 84 -4.225 8.871 -0.641 1.00 11.14 H new ATOM 0 HA VAL A 84 -2.343 8.058 1.481 1.00 71.43 H new ATOM 0 HB VAL A 84 -3.825 6.372 -0.589 1.00 61.34 H new ATOM 0 HG11 VAL A 84 -3.020 4.429 0.710 1.00 10.21 H new ATOM 0 HG12 VAL A 84 -1.677 5.376 0.026 1.00 10.21 H new ATOM 0 HG13 VAL A 84 -2.082 5.525 1.753 1.00 10.21 H new ATOM 0 HG21 VAL A 84 -5.145 5.521 1.317 1.00 5.23 H new ATOM 0 HG22 VAL A 84 -4.321 6.675 2.393 1.00 5.23 H new ATOM 0 HG23 VAL A 84 -5.365 7.272 1.081 1.00 5.23 H new ATOM 1314 N PHE A 85 -0.353 7.742 -0.030 1.00 24.50 N ATOM 1315 CA PHE A 85 0.837 7.639 -0.885 1.00 11.34 C ATOM 1316 C PHE A 85 1.741 6.486 -0.421 1.00 63.03 C ATOM 1317 O PHE A 85 1.970 6.309 0.774 1.00 0.22 O ATOM 1318 CB PHE A 85 1.623 8.959 -0.877 1.00 25.32 C ATOM 1319 CG PHE A 85 2.850 8.937 -1.758 1.00 3.33 C ATOM 1320 CD1 PHE A 85 2.737 9.110 -3.131 1.00 55.42 C ATOM 1321 CD2 PHE A 85 4.114 8.732 -1.216 1.00 62.53 C ATOM 1322 CE1 PHE A 85 3.856 9.083 -3.942 1.00 12.02 C ATOM 1323 CE2 PHE A 85 5.235 8.702 -2.026 1.00 31.22 C ATOM 1324 CZ PHE A 85 5.106 8.879 -3.389 1.00 24.22 C ATOM 0 H PHE A 85 -0.153 7.701 0.969 1.00 24.50 H new ATOM 0 HA PHE A 85 0.505 7.434 -1.903 1.00 11.34 H new ATOM 0 HB2 PHE A 85 0.966 9.765 -1.203 1.00 25.32 H new ATOM 0 HB3 PHE A 85 1.924 9.187 0.146 1.00 25.32 H new ATOM 0 HD1 PHE A 85 1.763 9.268 -3.571 1.00 55.42 H new ATOM 0 HD2 PHE A 85 4.222 8.595 -0.150 1.00 62.53 H new ATOM 0 HE1 PHE A 85 3.753 9.221 -5.008 1.00 12.02 H new ATOM 0 HE2 PHE A 85 6.211 8.540 -1.592 1.00 31.22 H new ATOM 0 HZ PHE A 85 5.981 8.858 -4.022 1.00 24.22 H new ATOM 1334 N VAL A 86 2.248 5.700 -1.371 1.00 13.32 N ATOM 1335 CA VAL A 86 3.123 4.562 -1.055 1.00 54.11 C ATOM 1336 C VAL A 86 4.370 4.551 -1.957 1.00 22.41 C ATOM 1337 O VAL A 86 4.277 4.829 -3.152 1.00 51.33 O ATOM 1338 CB VAL A 86 2.376 3.210 -1.229 1.00 22.51 C ATOM 1339 CG1 VAL A 86 3.254 2.032 -0.798 1.00 75.00 C ATOM 1340 CG2 VAL A 86 1.051 3.209 -0.462 1.00 34.22 C ATOM 0 H VAL A 86 2.070 5.827 -2.367 1.00 13.32 H new ATOM 0 HA VAL A 86 3.426 4.679 -0.014 1.00 54.11 H new ATOM 0 HB VAL A 86 2.152 3.092 -2.289 1.00 22.51 H new ATOM 0 HG11 VAL A 86 2.704 1.100 -0.931 1.00 75.00 H new ATOM 0 HG12 VAL A 86 4.158 2.010 -1.407 1.00 75.00 H new ATOM 0 HG13 VAL A 86 3.526 2.146 0.251 1.00 75.00 H new ATOM 0 HG21 VAL A 86 0.550 2.251 -0.602 1.00 34.22 H new ATOM 0 HG22 VAL A 86 1.245 3.366 0.599 1.00 34.22 H new ATOM 0 HG23 VAL A 86 0.413 4.010 -0.836 1.00 34.22 H new ATOM 1350 N GLU A 87 5.531 4.233 -1.387 1.00 64.04 N ATOM 1351 CA GLU A 87 6.761 4.066 -2.177 1.00 62.44 C ATOM 1352 C GLU A 87 7.406 2.701 -1.900 1.00 35.23 C ATOM 1353 O GLU A 87 7.207 2.114 -0.836 1.00 45.42 O ATOM 1354 CB GLU A 87 7.779 5.176 -1.863 1.00 34.23 C ATOM 1355 CG GLU A 87 8.432 5.040 -0.491 1.00 44.15 C ATOM 1356 CD GLU A 87 9.655 5.929 -0.313 1.00 1.40 C ATOM 1357 OE1 GLU A 87 10.622 5.786 -1.094 1.00 62.05 O ATOM 1358 OE2 GLU A 87 9.685 6.737 0.641 1.00 2.33 O ATOM 0 H GLU A 87 5.651 4.085 -0.385 1.00 64.04 H new ATOM 0 HA GLU A 87 6.480 4.128 -3.228 1.00 62.44 H new ATOM 0 HB2 GLU A 87 8.556 5.171 -2.627 1.00 34.23 H new ATOM 0 HB3 GLU A 87 7.279 6.143 -1.923 1.00 34.23 H new ATOM 0 HG2 GLU A 87 7.699 5.285 0.278 1.00 44.15 H new ATOM 0 HG3 GLU A 87 8.722 4.001 -0.336 1.00 44.15 H new ATOM 1365 N ILE A 88 8.172 2.198 -2.863 1.00 21.53 N ATOM 1366 CA ILE A 88 8.940 0.962 -2.677 1.00 24.22 C ATOM 1367 C ILE A 88 10.451 1.228 -2.813 1.00 11.13 C ATOM 1368 O ILE A 88 10.919 1.737 -3.835 1.00 34.42 O ATOM 1369 CB ILE A 88 8.502 -0.139 -3.677 1.00 11.43 C ATOM 1370 CG1 ILE A 88 7.005 -0.453 -3.494 1.00 71.51 C ATOM 1371 CG2 ILE A 88 9.351 -1.399 -3.497 1.00 60.24 C ATOM 1372 CD1 ILE A 88 6.486 -1.549 -4.399 1.00 74.25 C ATOM 0 H ILE A 88 8.280 2.625 -3.783 1.00 21.53 H new ATOM 0 HA ILE A 88 8.735 0.604 -1.668 1.00 24.22 H new ATOM 0 HB ILE A 88 8.657 0.226 -4.692 1.00 11.43 H new ATOM 0 HG12 ILE A 88 6.830 -0.740 -2.457 1.00 71.51 H new ATOM 0 HG13 ILE A 88 6.430 0.455 -3.675 1.00 71.51 H new ATOM 0 HG21 ILE A 88 9.028 -2.160 -4.208 1.00 60.24 H new ATOM 0 HG22 ILE A 88 10.400 -1.159 -3.673 1.00 60.24 H new ATOM 0 HG23 ILE A 88 9.231 -1.777 -2.482 1.00 60.24 H new ATOM 0 HD11 ILE A 88 5.425 -1.708 -4.207 1.00 74.25 H new ATOM 0 HD12 ILE A 88 6.627 -1.258 -5.440 1.00 74.25 H new ATOM 0 HD13 ILE A 88 7.032 -2.472 -4.203 1.00 74.25 H new ATOM 1384 N LYS A 89 11.205 0.881 -1.772 1.00 51.43 N ATOM 1385 CA LYS A 89 12.645 1.163 -1.715 1.00 4.42 C ATOM 1386 C LYS A 89 13.416 -0.011 -1.090 1.00 50.30 C ATOM 1387 O LYS A 89 12.879 -0.741 -0.262 1.00 70.13 O ATOM 1388 CB LYS A 89 12.875 2.445 -0.905 1.00 14.02 C ATOM 1389 CG LYS A 89 12.443 2.339 0.562 1.00 11.42 C ATOM 1390 CD LYS A 89 11.906 3.663 1.105 1.00 70.44 C ATOM 1391 CE LYS A 89 12.927 4.793 1.007 1.00 31.41 C ATOM 1392 NZ LYS A 89 12.296 6.126 1.224 1.00 61.10 N ATOM 0 H LYS A 89 10.843 0.400 -0.949 1.00 51.43 H new ATOM 0 HA LYS A 89 13.018 1.299 -2.730 1.00 4.42 H new ATOM 0 HB2 LYS A 89 13.933 2.703 -0.944 1.00 14.02 H new ATOM 0 HB3 LYS A 89 12.330 3.263 -1.376 1.00 14.02 H new ATOM 0 HG2 LYS A 89 11.675 1.571 0.658 1.00 11.42 H new ATOM 0 HG3 LYS A 89 13.292 2.018 1.166 1.00 11.42 H new ATOM 0 HD2 LYS A 89 11.008 3.941 0.553 1.00 70.44 H new ATOM 0 HD3 LYS A 89 11.613 3.532 2.147 1.00 70.44 H new ATOM 0 HE2 LYS A 89 13.713 4.638 1.746 1.00 31.41 H new ATOM 0 HE3 LYS A 89 13.402 4.770 0.026 1.00 31.41 H new ATOM 0 HZ1 LYS A 89 12.359 6.686 0.350 1.00 61.10 H new ATOM 0 HZ2 LYS A 89 11.297 5.999 1.483 1.00 61.10 H new ATOM 0 HZ3 LYS A 89 12.791 6.624 1.991 1.00 61.10 H new ATOM 1406 N SER A 90 14.673 -0.186 -1.480 1.00 44.23 N ATOM 1407 CA SER A 90 15.486 -1.309 -0.992 1.00 72.51 C ATOM 1408 C SER A 90 15.934 -1.095 0.464 1.00 2.11 C ATOM 1409 O SER A 90 16.104 0.034 0.915 1.00 74.33 O ATOM 1410 CB SER A 90 16.713 -1.506 -1.889 1.00 72.11 C ATOM 1411 OG SER A 90 17.433 -2.679 -1.536 1.00 60.45 O ATOM 0 H SER A 90 15.157 0.431 -2.132 1.00 44.23 H new ATOM 0 HA SER A 90 14.864 -2.203 -1.026 1.00 72.51 H new ATOM 0 HB2 SER A 90 16.397 -1.571 -2.930 1.00 72.11 H new ATOM 0 HB3 SER A 90 17.367 -0.638 -1.808 1.00 72.11 H new ATOM 0 HG SER A 90 17.870 -3.046 -2.332 1.00 60.45 H new ATOM 1417 N THR A 91 16.104 -2.198 1.198 1.00 13.20 N ATOM 1418 CA THR A 91 16.564 -2.147 2.601 1.00 70.13 C ATOM 1419 C THR A 91 18.037 -1.728 2.704 1.00 75.34 C ATOM 1420 O THR A 91 18.495 -1.275 3.755 1.00 35.22 O ATOM 1421 CB THR A 91 16.389 -3.513 3.313 1.00 24.10 C ATOM 1422 OG1 THR A 91 17.106 -4.540 2.606 1.00 24.34 O ATOM 1423 CG2 THR A 91 14.918 -3.901 3.413 1.00 0.11 C ATOM 0 H THR A 91 15.932 -3.141 0.850 1.00 13.20 H new ATOM 0 HA THR A 91 15.941 -1.400 3.093 1.00 70.13 H new ATOM 0 HB THR A 91 16.792 -3.413 4.321 1.00 24.10 H new ATOM 0 HG1 THR A 91 16.989 -5.397 3.067 1.00 24.34 H new ATOM 0 HG21 THR A 91 14.829 -4.863 3.917 1.00 0.11 H new ATOM 0 HG22 THR A 91 14.379 -3.143 3.981 1.00 0.11 H new ATOM 0 HG23 THR A 91 14.492 -3.975 2.412 1.00 0.11 H new ATOM 1431 N GLN A 92 18.779 -1.900 1.613 1.00 74.14 N ATOM 1432 CA GLN A 92 20.182 -1.479 1.548 1.00 11.12 C ATOM 1433 C GLN A 92 20.290 -0.015 1.091 1.00 4.24 C ATOM 1434 O GLN A 92 19.289 0.695 1.022 1.00 70.21 O ATOM 1435 CB GLN A 92 20.951 -2.396 0.583 1.00 63.03 C ATOM 1436 CG GLN A 92 20.406 -2.369 -0.841 1.00 40.03 C ATOM 1437 CD GLN A 92 21.055 -3.398 -1.746 1.00 2.35 C ATOM 1438 OE1 GLN A 92 20.596 -4.530 -1.848 1.00 21.11 O ATOM 1439 NE2 GLN A 92 22.116 -3.011 -2.418 1.00 24.20 N ATOM 0 H GLN A 92 18.432 -2.330 0.756 1.00 74.14 H new ATOM 0 HA GLN A 92 20.619 -1.557 2.544 1.00 11.12 H new ATOM 0 HB2 GLN A 92 22.000 -2.098 0.569 1.00 63.03 H new ATOM 0 HB3 GLN A 92 20.915 -3.419 0.959 1.00 63.03 H new ATOM 0 HG2 GLN A 92 19.330 -2.543 -0.815 1.00 40.03 H new ATOM 0 HG3 GLN A 92 20.558 -1.376 -1.263 1.00 40.03 H new ATOM 0 HE21 GLN A 92 22.471 -2.061 -2.308 1.00 24.20 H new ATOM 0 HE22 GLN A 92 22.585 -3.661 -3.049 1.00 24.20 H new ATOM 1448 N LYS A 93 21.505 0.444 0.791 1.00 61.33 N ATOM 1449 CA LYS A 93 21.694 1.805 0.283 1.00 24.31 C ATOM 1450 C LYS A 93 20.969 2.006 -1.057 1.00 12.41 C ATOM 1451 O LYS A 93 21.299 1.375 -2.065 1.00 74.45 O ATOM 1452 CB LYS A 93 23.184 2.139 0.145 1.00 65.44 C ATOM 1453 CG LYS A 93 23.895 2.262 1.487 1.00 40.11 C ATOM 1454 CD LYS A 93 25.292 2.846 1.340 1.00 21.24 C ATOM 1455 CE LYS A 93 26.231 1.919 0.578 1.00 51.53 C ATOM 1456 NZ LYS A 93 26.418 0.609 1.264 1.00 43.51 N ATOM 0 H LYS A 93 22.364 -0.098 0.889 1.00 61.33 H new ATOM 0 HA LYS A 93 21.256 2.490 1.009 1.00 24.31 H new ATOM 0 HB2 LYS A 93 23.671 1.364 -0.448 1.00 65.44 H new ATOM 0 HB3 LYS A 93 23.291 3.075 -0.404 1.00 65.44 H new ATOM 0 HG2 LYS A 93 23.306 2.893 2.153 1.00 40.11 H new ATOM 0 HG3 LYS A 93 23.960 1.279 1.954 1.00 40.11 H new ATOM 0 HD2 LYS A 93 25.230 3.803 0.821 1.00 21.24 H new ATOM 0 HD3 LYS A 93 25.706 3.045 2.329 1.00 21.24 H new ATOM 0 HE2 LYS A 93 25.835 1.748 -0.423 1.00 51.53 H new ATOM 0 HE3 LYS A 93 27.199 2.405 0.459 1.00 51.53 H new ATOM 0 HZ1 LYS A 93 27.210 0.097 0.825 1.00 43.51 H new ATOM 0 HZ2 LYS A 93 26.625 0.771 2.270 1.00 43.51 H new ATOM 0 HZ3 LYS A 93 25.549 0.044 1.176 1.00 43.51 H new ATOM 1470 N ASP A 94 19.984 2.892 -1.047 1.00 44.33 N ATOM 1471 CA ASP A 94 19.111 3.125 -2.209 1.00 73.21 C ATOM 1472 C ASP A 94 19.438 4.475 -2.876 1.00 1.11 C ATOM 1473 O ASP A 94 20.108 5.327 -2.287 1.00 41.01 O ATOM 1474 CB ASP A 94 17.638 3.091 -1.753 1.00 4.31 C ATOM 1475 CG ASP A 94 16.630 2.971 -2.899 1.00 13.14 C ATOM 1476 OD1 ASP A 94 16.511 3.914 -3.709 1.00 13.44 O ATOM 1477 OD2 ASP A 94 15.918 1.953 -2.971 1.00 1.44 O ATOM 0 H ASP A 94 19.760 3.473 -0.239 1.00 44.33 H new ATOM 0 HA ASP A 94 19.280 2.339 -2.945 1.00 73.21 H new ATOM 0 HB2 ASP A 94 17.499 2.251 -1.072 1.00 4.31 H new ATOM 0 HB3 ASP A 94 17.423 3.998 -1.188 1.00 4.31 H new ATOM 1482 N SER A 95 18.947 4.663 -4.097 1.00 62.32 N ATOM 1483 CA SER A 95 19.134 5.916 -4.844 1.00 32.50 C ATOM 1484 C SER A 95 18.082 6.975 -4.459 1.00 61.44 C ATOM 1485 O SER A 95 17.704 7.814 -5.280 1.00 43.10 O ATOM 1486 CB SER A 95 19.058 5.632 -6.352 1.00 24.41 C ATOM 1487 OG SER A 95 17.828 5.008 -6.708 1.00 35.25 O ATOM 0 H SER A 95 18.409 3.958 -4.601 1.00 62.32 H new ATOM 0 HA SER A 95 20.115 6.316 -4.588 1.00 32.50 H new ATOM 0 HB2 SER A 95 19.166 6.566 -6.904 1.00 24.41 H new ATOM 0 HB3 SER A 95 19.890 4.991 -6.644 1.00 24.41 H new ATOM 0 HG SER A 95 17.812 4.843 -7.674 1.00 35.25 H new ATOM 1493 N LYS A 96 17.622 6.938 -3.208 1.00 64.03 N ATOM 1494 CA LYS A 96 16.634 7.908 -2.706 1.00 31.43 C ATOM 1495 C LYS A 96 17.316 9.164 -2.136 1.00 41.45 C ATOM 1496 O LYS A 96 18.499 9.145 -1.796 1.00 63.00 O ATOM 1497 CB LYS A 96 15.751 7.273 -1.618 1.00 72.23 C ATOM 1498 CG LYS A 96 14.915 6.087 -2.093 1.00 74.14 C ATOM 1499 CD LYS A 96 13.910 6.475 -3.177 1.00 45.42 C ATOM 1500 CE LYS A 96 13.074 5.278 -3.629 1.00 53.45 C ATOM 1501 NZ LYS A 96 13.908 4.212 -4.249 1.00 65.21 N ATOM 0 H LYS A 96 17.916 6.247 -2.518 1.00 64.03 H new ATOM 0 HA LYS A 96 16.013 8.201 -3.553 1.00 31.43 H new ATOM 0 HB2 LYS A 96 16.388 6.946 -0.796 1.00 72.23 H new ATOM 0 HB3 LYS A 96 15.082 8.036 -1.219 1.00 72.23 H new ATOM 0 HG2 LYS A 96 15.577 5.311 -2.477 1.00 74.14 H new ATOM 0 HG3 LYS A 96 14.382 5.660 -1.244 1.00 74.14 H new ATOM 0 HD2 LYS A 96 13.251 7.257 -2.799 1.00 45.42 H new ATOM 0 HD3 LYS A 96 14.441 6.892 -4.033 1.00 45.42 H new ATOM 0 HE2 LYS A 96 12.539 4.867 -2.773 1.00 53.45 H new ATOM 0 HE3 LYS A 96 12.322 5.611 -4.345 1.00 53.45 H new ATOM 0 HZ1 LYS A 96 13.596 4.053 -5.228 1.00 65.21 H new ATOM 0 HZ2 LYS A 96 14.905 4.506 -4.247 1.00 65.21 H new ATOM 0 HZ3 LYS A 96 13.806 3.331 -3.706 1.00 65.21 H new ATOM 1515 N ASP A 97 16.555 10.248 -2.025 1.00 73.14 N ATOM 1516 CA ASP A 97 17.061 11.519 -1.488 1.00 43.52 C ATOM 1517 C ASP A 97 17.015 11.546 0.057 1.00 1.31 C ATOM 1518 O ASP A 97 16.131 10.944 0.671 1.00 0.32 O ATOM 1519 CB ASP A 97 16.244 12.678 -2.076 1.00 62.52 C ATOM 1520 CG ASP A 97 14.752 12.509 -1.846 1.00 55.42 C ATOM 1521 OD1 ASP A 97 14.155 11.576 -2.429 1.00 0.00 O ATOM 1522 OD2 ASP A 97 14.166 13.307 -1.088 1.00 72.44 O ATOM 0 H ASP A 97 15.574 10.277 -2.302 1.00 73.14 H new ATOM 0 HA ASP A 97 18.106 11.626 -1.778 1.00 43.52 H new ATOM 0 HB2 ASP A 97 16.574 13.616 -1.629 1.00 62.52 H new ATOM 0 HB3 ASP A 97 16.438 12.750 -3.146 1.00 62.52 H new ATOM 1527 N PRO A 98 17.969 12.245 0.710 1.00 42.24 N ATOM 1528 CA PRO A 98 18.054 12.299 2.179 1.00 4.50 C ATOM 1529 C PRO A 98 17.178 13.399 2.812 1.00 2.10 C ATOM 1530 O PRO A 98 17.282 13.673 4.006 1.00 64.35 O ATOM 1531 CB PRO A 98 19.539 12.595 2.401 1.00 63.13 C ATOM 1532 CG PRO A 98 19.918 13.466 1.244 1.00 71.40 C ATOM 1533 CD PRO A 98 19.049 13.036 0.078 1.00 52.20 C ATOM 0 HA PRO A 98 17.691 11.383 2.645 1.00 4.50 H new ATOM 0 HB2 PRO A 98 19.706 13.101 3.352 1.00 63.13 H new ATOM 0 HB3 PRO A 98 20.129 11.679 2.420 1.00 63.13 H new ATOM 0 HG2 PRO A 98 19.757 14.518 1.481 1.00 71.40 H new ATOM 0 HG3 PRO A 98 20.975 13.352 1.003 1.00 71.40 H new ATOM 0 HD2 PRO A 98 18.651 13.895 -0.462 1.00 52.20 H new ATOM 0 HD3 PRO A 98 19.612 12.441 -0.641 1.00 52.20 H new ATOM 1541 N ASP A 99 16.307 14.016 2.014 1.00 11.21 N ATOM 1542 CA ASP A 99 15.446 15.106 2.496 1.00 13.23 C ATOM 1543 C ASP A 99 14.185 14.581 3.215 1.00 52.12 C ATOM 1544 O ASP A 99 13.221 15.322 3.417 1.00 3.34 O ATOM 1545 CB ASP A 99 15.041 15.999 1.321 1.00 34.31 C ATOM 1546 CG ASP A 99 16.240 16.622 0.629 1.00 54.23 C ATOM 1547 OD1 ASP A 99 16.779 16.000 -0.310 1.00 14.22 O ATOM 1548 OD2 ASP A 99 16.641 17.740 1.012 1.00 13.11 O ATOM 0 H ASP A 99 16.176 13.783 1.030 1.00 11.21 H new ATOM 0 HA ASP A 99 16.019 15.681 3.223 1.00 13.23 H new ATOM 0 HB2 ASP A 99 14.473 15.411 0.600 1.00 34.31 H new ATOM 0 HB3 ASP A 99 14.380 16.789 1.679 1.00 34.31 H new ATOM 1553 N THR A 100 14.203 13.311 3.617 1.00 3.53 N ATOM 1554 CA THR A 100 13.050 12.689 4.287 1.00 1.32 C ATOM 1555 C THR A 100 13.331 12.386 5.767 1.00 72.23 C ATOM 1556 O THR A 100 14.482 12.196 6.161 1.00 52.32 O ATOM 1557 CB THR A 100 12.637 11.365 3.593 1.00 12.41 C ATOM 1558 OG1 THR A 100 13.722 10.416 3.628 1.00 32.53 O ATOM 1559 CG2 THR A 100 12.220 11.612 2.147 1.00 72.54 C ATOM 0 H THR A 100 15.001 12.688 3.493 1.00 3.53 H new ATOM 0 HA THR A 100 12.240 13.415 4.217 1.00 1.32 H new ATOM 0 HB THR A 100 11.785 10.957 4.137 1.00 12.41 H new ATOM 0 HG1 THR A 100 13.445 9.586 3.188 1.00 32.53 H new ATOM 0 HG21 THR A 100 11.935 10.667 1.684 1.00 72.54 H new ATOM 0 HG22 THR A 100 11.372 12.297 2.125 1.00 72.54 H new ATOM 0 HG23 THR A 100 13.054 12.049 1.597 1.00 72.54 H new ATOM 1567 N ASP A 101 12.260 12.345 6.568 1.00 42.43 N ATOM 1568 CA ASP A 101 12.324 11.927 7.981 1.00 64.02 C ATOM 1569 C ASP A 101 13.033 12.969 8.876 1.00 13.51 C ATOM 1570 O ASP A 101 14.261 13.064 8.896 1.00 43.31 O ATOM 1571 CB ASP A 101 12.998 10.547 8.106 1.00 0.44 C ATOM 1572 CG ASP A 101 12.988 10.016 9.530 1.00 15.34 C ATOM 1573 OD1 ASP A 101 11.975 9.408 9.937 1.00 51.21 O ATOM 1574 OD2 ASP A 101 13.996 10.196 10.246 1.00 42.45 O ATOM 0 H ASP A 101 11.322 12.600 6.259 1.00 42.43 H new ATOM 0 HA ASP A 101 11.297 11.852 8.340 1.00 64.02 H new ATOM 0 HB2 ASP A 101 12.488 9.838 7.455 1.00 0.44 H new ATOM 0 HB3 ASP A 101 14.028 10.617 7.756 1.00 0.44 H new ATOM 1579 N LEU A 102 12.231 13.743 9.611 1.00 3.02 N ATOM 1580 CA LEU A 102 12.735 14.726 10.584 1.00 33.12 C ATOM 1581 C LEU A 102 11.594 15.260 11.467 1.00 22.31 C ATOM 1582 O LEU A 102 10.451 14.807 11.355 1.00 72.12 O ATOM 1583 CB LEU A 102 13.471 15.882 9.870 1.00 65.45 C ATOM 1584 CG LEU A 102 12.759 16.518 8.653 1.00 73.23 C ATOM 1585 CD1 LEU A 102 11.487 17.263 9.058 1.00 74.51 C ATOM 1586 CD2 LEU A 102 13.713 17.452 7.911 1.00 52.22 C ATOM 0 H LEU A 102 11.213 13.709 9.551 1.00 3.02 H new ATOM 0 HA LEU A 102 13.452 14.222 11.232 1.00 33.12 H new ATOM 0 HB2 LEU A 102 13.659 16.668 10.602 1.00 65.45 H new ATOM 0 HB3 LEU A 102 14.443 15.514 9.540 1.00 65.45 H new ATOM 0 HG LEU A 102 12.461 15.708 7.987 1.00 73.23 H new ATOM 0 HD11 LEU A 102 11.020 17.694 8.172 1.00 74.51 H new ATOM 0 HD12 LEU A 102 10.794 16.568 9.532 1.00 74.51 H new ATOM 0 HD13 LEU A 102 11.739 18.059 9.759 1.00 74.51 H new ATOM 0 HD21 LEU A 102 13.199 17.893 7.057 1.00 52.22 H new ATOM 0 HD22 LEU A 102 14.044 18.243 8.584 1.00 52.22 H new ATOM 0 HD23 LEU A 102 14.578 16.887 7.562 1.00 52.22 H new ATOM 1598 N ILE A 103 11.897 16.220 12.342 1.00 3.05 N ATOM 1599 CA ILE A 103 10.871 16.826 13.198 1.00 43.43 C ATOM 1600 C ILE A 103 9.868 17.650 12.369 1.00 72.24 C ATOM 1601 O ILE A 103 10.181 18.744 11.892 1.00 21.42 O ATOM 1602 CB ILE A 103 11.501 17.725 14.295 1.00 64.35 C ATOM 1603 CG1 ILE A 103 12.463 16.904 15.178 1.00 72.41 C ATOM 1604 CG2 ILE A 103 10.416 18.386 15.147 1.00 63.11 C ATOM 1605 CD1 ILE A 103 13.150 17.714 16.261 1.00 5.43 C ATOM 0 H ILE A 103 12.836 16.594 12.478 1.00 3.05 H new ATOM 0 HA ILE A 103 10.340 16.007 13.683 1.00 43.43 H new ATOM 0 HB ILE A 103 12.072 18.514 13.805 1.00 64.35 H new ATOM 0 HG12 ILE A 103 11.907 16.091 15.644 1.00 72.41 H new ATOM 0 HG13 ILE A 103 13.222 16.448 14.543 1.00 72.41 H new ATOM 0 HG21 ILE A 103 10.882 19.011 15.909 1.00 63.11 H new ATOM 0 HG22 ILE A 103 9.780 19.002 14.512 1.00 63.11 H new ATOM 0 HG23 ILE A 103 9.812 17.617 15.628 1.00 63.11 H new ATOM 0 HD11 ILE A 103 13.809 17.065 16.838 1.00 5.43 H new ATOM 0 HD12 ILE A 103 13.736 18.511 15.803 1.00 5.43 H new ATOM 0 HD13 ILE A 103 12.400 18.149 16.921 1.00 5.43 H new ATOM 1617 N VAL A 104 8.668 17.102 12.186 1.00 31.01 N ATOM 1618 CA VAL A 104 7.609 17.769 11.420 1.00 25.01 C ATOM 1619 C VAL A 104 7.064 19.014 12.159 1.00 42.12 C ATOM 1620 O VAL A 104 6.754 18.955 13.353 1.00 50.21 O ATOM 1621 CB VAL A 104 6.443 16.785 11.116 1.00 61.35 C ATOM 1622 CG1 VAL A 104 5.848 16.214 12.404 1.00 21.51 C ATOM 1623 CG2 VAL A 104 5.361 17.458 10.271 1.00 74.43 C ATOM 0 H VAL A 104 8.401 16.191 12.560 1.00 31.01 H new ATOM 0 HA VAL A 104 8.053 18.099 10.481 1.00 25.01 H new ATOM 0 HB VAL A 104 6.855 15.956 10.541 1.00 61.35 H new ATOM 0 HG11 VAL A 104 5.036 15.530 12.158 1.00 21.51 H new ATOM 0 HG12 VAL A 104 6.620 15.677 12.955 1.00 21.51 H new ATOM 0 HG13 VAL A 104 5.463 17.028 13.019 1.00 21.51 H new ATOM 0 HG21 VAL A 104 4.559 16.747 10.074 1.00 74.43 H new ATOM 0 HG22 VAL A 104 4.961 18.317 10.810 1.00 74.43 H new ATOM 0 HG23 VAL A 104 5.791 17.791 9.326 1.00 74.43 H new ATOM 1633 N PRO A 105 6.958 20.166 11.464 1.00 55.20 N ATOM 1634 CA PRO A 105 6.400 21.398 12.050 1.00 40.40 C ATOM 1635 C PRO A 105 4.890 21.300 12.321 1.00 30.13 C ATOM 1636 O PRO A 105 4.074 21.309 11.394 1.00 15.15 O ATOM 1637 CB PRO A 105 6.694 22.465 10.983 1.00 64.52 C ATOM 1638 CG PRO A 105 6.786 21.704 9.702 1.00 2.32 C ATOM 1639 CD PRO A 105 7.383 20.366 10.062 1.00 64.11 C ATOM 0 HA PRO A 105 6.839 21.617 13.024 1.00 40.40 H new ATOM 0 HB2 PRO A 105 5.903 23.214 10.943 1.00 64.52 H new ATOM 0 HB3 PRO A 105 7.623 22.994 11.197 1.00 64.52 H new ATOM 0 HG2 PRO A 105 5.803 21.584 9.247 1.00 2.32 H new ATOM 0 HG3 PRO A 105 7.410 22.229 8.979 1.00 2.32 H new ATOM 0 HD2 PRO A 105 7.012 19.573 9.413 1.00 64.11 H new ATOM 0 HD3 PRO A 105 8.469 20.373 9.969 1.00 64.11 H new ATOM 1647 N ASN A 106 4.520 21.188 13.595 1.00 13.41 N ATOM 1648 CA ASN A 106 3.107 21.145 13.986 1.00 10.44 C ATOM 1649 C ASN A 106 2.434 22.512 13.767 1.00 21.22 C ATOM 1650 O ASN A 106 2.399 23.356 14.666 1.00 62.53 O ATOM 1651 CB ASN A 106 2.966 20.717 15.457 1.00 25.51 C ATOM 1652 CG ASN A 106 3.547 19.339 15.728 1.00 54.51 C ATOM 1653 OD1 ASN A 106 3.550 18.462 14.869 1.00 31.13 O ATOM 1654 ND2 ASN A 106 4.040 19.131 16.930 1.00 55.11 N ATOM 0 H ASN A 106 5.175 21.125 14.375 1.00 13.41 H new ATOM 0 HA ASN A 106 2.607 20.409 13.356 1.00 10.44 H new ATOM 0 HB2 ASN A 106 3.465 21.448 16.093 1.00 25.51 H new ATOM 0 HB3 ASN A 106 1.911 20.722 15.733 1.00 25.51 H new ATOM 0 HD21 ASN A 106 4.438 18.222 17.168 1.00 55.11 H new ATOM 0 HD22 ASN A 106 4.024 19.878 17.624 1.00 55.11 H new ATOM 1661 N LEU A 107 1.943 22.739 12.550 1.00 14.24 N ATOM 1662 CA LEU A 107 1.268 23.997 12.203 1.00 32.44 C ATOM 1663 C LEU A 107 -0.049 24.174 12.983 1.00 1.34 C ATOM 1664 O LEU A 107 -0.799 23.216 13.191 1.00 62.15 O ATOM 1665 CB LEU A 107 0.999 24.080 10.684 1.00 75.11 C ATOM 1666 CG LEU A 107 -0.093 23.141 10.120 1.00 3.23 C ATOM 1667 CD1 LEU A 107 -0.381 23.475 8.658 1.00 54.34 C ATOM 1668 CD2 LEU A 107 0.299 21.668 10.256 1.00 35.31 C ATOM 0 H LEU A 107 1.998 22.069 11.783 1.00 14.24 H new ATOM 0 HA LEU A 107 1.939 24.808 12.487 1.00 32.44 H new ATOM 0 HB2 LEU A 107 0.723 25.107 10.443 1.00 75.11 H new ATOM 0 HB3 LEU A 107 1.932 23.870 10.161 1.00 75.11 H new ATOM 0 HG LEU A 107 -0.996 23.301 10.708 1.00 3.23 H new ATOM 0 HD11 LEU A 107 -1.152 22.805 8.277 1.00 54.34 H new ATOM 0 HD12 LEU A 107 -0.726 24.506 8.582 1.00 54.34 H new ATOM 0 HD13 LEU A 107 0.529 23.353 8.071 1.00 54.34 H new ATOM 0 HD21 LEU A 107 -0.494 21.041 9.848 1.00 35.31 H new ATOM 0 HD22 LEU A 107 1.223 21.485 9.708 1.00 35.31 H new ATOM 0 HD23 LEU A 107 0.447 21.427 11.309 1.00 35.31 H new ATOM 1680 N GLU A 108 -0.319 25.402 13.419 1.00 21.44 N ATOM 1681 CA GLU A 108 -1.554 25.710 14.143 1.00 40.35 C ATOM 1682 C GLU A 108 -2.779 25.659 13.221 1.00 33.11 C ATOM 1683 O GLU A 108 -3.244 26.684 12.721 1.00 11.14 O ATOM 1684 CB GLU A 108 -1.453 27.086 14.817 1.00 24.42 C ATOM 1685 CG GLU A 108 -0.527 27.120 16.026 1.00 50.53 C ATOM 1686 CD GLU A 108 -1.066 26.312 17.194 1.00 44.54 C ATOM 1687 OE1 GLU A 108 -1.922 26.838 17.937 1.00 40.40 O ATOM 1688 OE2 GLU A 108 -0.650 25.148 17.370 1.00 64.52 O ATOM 0 H GLU A 108 0.300 26.202 13.285 1.00 21.44 H new ATOM 0 HA GLU A 108 -1.683 24.947 14.911 1.00 40.35 H new ATOM 0 HB2 GLU A 108 -1.103 27.813 14.084 1.00 24.42 H new ATOM 0 HB3 GLU A 108 -2.449 27.401 15.127 1.00 24.42 H new ATOM 0 HG2 GLU A 108 0.451 26.733 15.741 1.00 50.53 H new ATOM 0 HG3 GLU A 108 -0.382 28.154 16.340 1.00 50.53 H new ATOM 1695 N HIS A 109 -3.280 24.455 12.971 1.00 63.34 N ATOM 1696 CA HIS A 109 -4.501 24.274 12.182 1.00 43.52 C ATOM 1697 C HIS A 109 -5.450 23.292 12.884 1.00 43.44 C ATOM 1698 O HIS A 109 -5.108 22.129 13.104 1.00 34.34 O ATOM 1699 CB HIS A 109 -4.162 23.777 10.770 1.00 73.30 C ATOM 1700 CG HIS A 109 -5.348 23.721 9.851 1.00 62.32 C ATOM 1701 ND1 HIS A 109 -5.739 24.782 9.061 1.00 41.34 N ATOM 1702 CD2 HIS A 109 -6.241 22.727 9.603 1.00 43.32 C ATOM 1703 CE1 HIS A 109 -6.817 24.449 8.377 1.00 41.44 C ATOM 1704 NE2 HIS A 109 -7.139 23.213 8.687 1.00 60.24 N ATOM 0 H HIS A 109 -2.862 23.586 13.302 1.00 63.34 H new ATOM 0 HA HIS A 109 -5.002 25.238 12.095 1.00 43.52 H new ATOM 0 HB2 HIS A 109 -3.407 24.432 10.335 1.00 73.30 H new ATOM 0 HB3 HIS A 109 -3.720 22.783 10.840 1.00 73.30 H new ATOM 0 HD2 HIS A 109 -6.243 21.741 10.044 1.00 43.32 H new ATOM 0 HE1 HIS A 109 -7.345 25.084 7.681 1.00 41.44 H new ATOM 0 HE2 HIS A 109 -7.932 22.696 8.306 1.00 60.24 H new ATOM 1713 N HIS A 110 -6.642 23.766 13.221 1.00 1.42 N ATOM 1714 CA HIS A 110 -7.605 22.975 13.992 1.00 12.01 C ATOM 1715 C HIS A 110 -8.242 21.850 13.160 1.00 23.31 C ATOM 1716 O HIS A 110 -8.950 22.105 12.185 1.00 33.03 O ATOM 1717 CB HIS A 110 -8.700 23.891 14.547 1.00 61.51 C ATOM 1718 CG HIS A 110 -9.688 23.187 15.419 1.00 21.40 C ATOM 1719 ND1 HIS A 110 -10.953 22.836 14.996 1.00 54.51 N ATOM 1720 CD2 HIS A 110 -9.594 22.761 16.700 1.00 63.42 C ATOM 1721 CE1 HIS A 110 -11.588 22.229 15.974 1.00 75.35 C ATOM 1722 NE2 HIS A 110 -10.789 22.169 17.015 1.00 72.15 N ATOM 0 H HIS A 110 -6.971 24.699 12.973 1.00 1.42 H new ATOM 0 HA HIS A 110 -7.058 22.504 14.809 1.00 12.01 H new ATOM 0 HB2 HIS A 110 -8.234 24.695 15.117 1.00 61.51 H new ATOM 0 HB3 HIS A 110 -9.229 24.355 13.715 1.00 61.51 H new ATOM 0 HD2 HIS A 110 -8.739 22.867 17.351 1.00 63.42 H new ATOM 0 HE1 HIS A 110 -12.596 21.845 15.929 1.00 75.35 H new ATOM 0 HE2 HIS A 110 -11.021 21.749 17.915 1.00 72.15 H new ATOM 1731 N HIS A 111 -7.986 20.606 13.559 1.00 64.42 N ATOM 1732 CA HIS A 111 -8.638 19.439 12.956 1.00 53.45 C ATOM 1733 C HIS A 111 -8.684 18.264 13.951 1.00 10.12 C ATOM 1734 O HIS A 111 -7.658 17.669 14.282 1.00 43.24 O ATOM 1735 CB HIS A 111 -7.934 19.024 11.651 1.00 64.22 C ATOM 1736 CG HIS A 111 -6.488 18.644 11.808 1.00 60.42 C ATOM 1737 ND1 HIS A 111 -6.077 17.348 12.041 1.00 45.43 N ATOM 1738 CD2 HIS A 111 -5.354 19.386 11.748 1.00 32.42 C ATOM 1739 CE1 HIS A 111 -4.760 17.310 12.117 1.00 4.32 C ATOM 1740 NE2 HIS A 111 -4.298 18.530 11.942 1.00 35.45 N ATOM 0 H HIS A 111 -7.327 20.376 14.303 1.00 64.42 H new ATOM 0 HA HIS A 111 -9.663 19.717 12.710 1.00 53.45 H new ATOM 0 HB2 HIS A 111 -8.472 18.181 11.217 1.00 64.22 H new ATOM 0 HB3 HIS A 111 -8.004 19.847 10.940 1.00 64.22 H new ATOM 0 HD2 HIS A 111 -5.293 20.451 11.579 1.00 32.42 H new ATOM 0 HE1 HIS A 111 -4.163 16.428 12.293 1.00 4.32 H new ATOM 0 HE2 HIS A 111 -3.314 18.797 11.949 1.00 35.45 H new ATOM 1749 N HIS A 112 -9.885 17.944 14.428 1.00 61.25 N ATOM 1750 CA HIS A 112 -10.073 16.881 15.422 1.00 73.43 C ATOM 1751 C HIS A 112 -9.607 15.513 14.895 1.00 62.43 C ATOM 1752 O HIS A 112 -10.263 14.900 14.052 1.00 14.41 O ATOM 1753 CB HIS A 112 -11.548 16.805 15.843 1.00 64.50 C ATOM 1754 CG HIS A 112 -11.847 15.697 16.813 1.00 20.34 C ATOM 1755 ND1 HIS A 112 -12.612 14.600 16.486 1.00 13.30 N ATOM 1756 CD2 HIS A 112 -11.473 15.517 18.105 1.00 4.41 C ATOM 1757 CE1 HIS A 112 -12.698 13.795 17.527 1.00 13.44 C ATOM 1758 NE2 HIS A 112 -12.018 14.326 18.521 1.00 5.44 N ATOM 0 H HIS A 112 -10.748 18.406 14.143 1.00 61.25 H new ATOM 0 HA HIS A 112 -9.459 17.130 16.287 1.00 73.43 H new ATOM 0 HB2 HIS A 112 -11.837 17.755 16.291 1.00 64.50 H new ATOM 0 HB3 HIS A 112 -12.163 16.672 14.953 1.00 64.50 H new ATOM 0 HD2 HIS A 112 -10.862 16.184 18.695 1.00 4.41 H new ATOM 0 HE1 HIS A 112 -13.235 12.859 17.559 1.00 13.44 H new ATOM 0 HE2 HIS A 112 -11.913 13.919 19.450 1.00 5.44 H new ATOM 1767 N HIS A 113 -8.460 15.055 15.390 1.00 43.03 N ATOM 1768 CA HIS A 113 -7.931 13.733 15.037 1.00 64.53 C ATOM 1769 C HIS A 113 -8.290 12.692 16.113 1.00 64.22 C ATOM 1770 O HIS A 113 -7.857 12.797 17.263 1.00 73.35 O ATOM 1771 CB HIS A 113 -6.406 13.794 14.836 1.00 13.12 C ATOM 1772 CG HIS A 113 -5.644 14.313 16.024 1.00 40.41 C ATOM 1773 ND1 HIS A 113 -5.051 13.491 16.958 1.00 24.20 N ATOM 1774 CD2 HIS A 113 -5.378 15.581 16.425 1.00 41.14 C ATOM 1775 CE1 HIS A 113 -4.453 14.225 17.876 1.00 32.14 C ATOM 1776 NE2 HIS A 113 -4.638 15.496 17.580 1.00 1.03 N ATOM 0 H HIS A 113 -7.874 15.580 16.040 1.00 43.03 H new ATOM 0 HA HIS A 113 -8.392 13.426 14.098 1.00 64.53 H new ATOM 0 HB2 HIS A 113 -6.043 12.795 14.595 1.00 13.12 H new ATOM 0 HB3 HIS A 113 -6.190 14.428 13.976 1.00 13.12 H new ATOM 0 HD2 HIS A 113 -5.690 16.488 15.929 1.00 41.14 H new ATOM 0 HE1 HIS A 113 -3.904 13.848 18.727 1.00 32.14 H new ATOM 0 HE2 HIS A 113 -4.289 16.288 18.120 1.00 1.03 H new ATOM 1785 N HIS A 114 -9.085 11.696 15.731 1.00 73.41 N ATOM 1786 CA HIS A 114 -9.513 10.642 16.664 1.00 42.22 C ATOM 1787 C HIS A 114 -8.464 9.515 16.764 1.00 11.44 C ATOM 1788 O HIS A 114 -7.697 9.495 17.753 1.00 37.43 O ATOM 1789 CB HIS A 114 -10.871 10.072 16.229 1.00 14.33 C ATOM 1790 CG HIS A 114 -11.427 9.057 17.182 1.00 3.13 C ATOM 1791 ND1 HIS A 114 -11.243 7.698 17.032 1.00 60.02 N ATOM 1792 CD2 HIS A 114 -12.160 9.210 18.309 1.00 64.33 C ATOM 1793 CE1 HIS A 114 -11.839 7.064 18.023 1.00 11.42 C ATOM 1794 NE2 HIS A 114 -12.399 7.957 18.811 1.00 5.33 N ATOM 1795 OXT HIS A 114 -8.403 8.665 15.852 1.00 37.43 O ATOM 0 H HIS A 114 -9.449 11.591 14.784 1.00 73.41 H new ATOM 0 HA HIS A 114 -9.613 11.089 17.653 1.00 42.22 H new ATOM 0 HB2 HIS A 114 -11.583 10.891 16.126 1.00 14.33 H new ATOM 0 HB3 HIS A 114 -10.766 9.615 15.245 1.00 14.33 H new ATOM 0 HD2 HIS A 114 -12.494 10.145 18.734 1.00 64.33 H new ATOM 0 HE1 HIS A 114 -11.863 5.994 18.164 1.00 11.42 H new ATOM 0 HE2 HIS A 114 -12.926 7.750 19.659 1.00 5.33 H new TER 1804 HIS A 114