USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 927 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 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= -1.32 USER MOD Single : A 4 ASN : amide:sc= -0.775 K(o=-0.78,f=-0.031) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.0838 (180deg=-0.399) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= -0.289 (180deg=-1.35!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -135:sc= 0.632 USER MOD Single : A 25 ASN : amide:sc= 0.351 X(o=0.35,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.46) USER MOD Single : A 29 ASN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 37 THR OG1 : rot -28:sc= 0.976 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -129:sc= 0.298 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 58:sc= 0.804 USER MOD Single : A 49 CYS SG : rot 85:sc= -0.0414 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -159:sc= 0.354 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -8.33! C(o=-8.3!,f=-26!) USER MOD Single : A 68 ASN : amide:sc= -0.0612 K(o=-0.061,f=-0.58) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.157) USER MOD Single : A 74 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0749) USER MOD Single : A 81 GLN : amide:sc= -0.195 K(o=-0.19,f=-3.5!) USER MOD Single : A 83 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD Single : A 84 HIS : no HD1:sc= 0.386 K(o=0.39,f=-2!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -6.233 -12.427 -10.045 1.00 0.00 N ATOM 41 CA ASN A 4 -5.886 -11.157 -9.418 1.00 0.00 C ATOM 42 C ASN A 4 -5.136 -11.384 -8.105 1.00 0.00 C ATOM 43 O ASN A 4 -5.507 -12.255 -7.318 1.00 0.00 O ATOM 44 CB ASN A 4 -7.148 -10.332 -9.160 1.00 0.00 C ATOM 45 CG ASN A 4 -6.880 -8.840 -9.194 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.735 -8.247 -10.263 1.00 0.00 O ATOM 47 ND2 ASN A 4 -6.813 -8.223 -8.019 1.00 0.00 N ATOM 0 HA ASN A 4 -5.234 -10.610 -10.099 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.901 -10.580 -9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.563 -10.602 -8.189 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.635 -7.219 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.939 -8.753 -7.157 1.00 0.00 H new ATOM 54 N PRO A 5 -4.069 -10.603 -7.850 1.00 0.00 N ATOM 55 CA PRO A 5 -3.271 -10.729 -6.624 1.00 0.00 C ATOM 56 C PRO A 5 -4.084 -10.419 -5.371 1.00 0.00 C ATOM 57 O PRO A 5 -3.913 -11.059 -4.334 1.00 0.00 O ATOM 58 CB PRO A 5 -2.153 -9.694 -6.802 1.00 0.00 C ATOM 59 CG PRO A 5 -2.135 -9.382 -8.259 1.00 0.00 C ATOM 60 CD PRO A 5 -3.549 -9.544 -8.732 1.00 0.00 C ATOM 0 HA PRO A 5 -2.904 -11.746 -6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.347 -8.799 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.193 -10.091 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.778 -8.368 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.465 -10.055 -8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.117 -8.619 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.594 -9.834 -9.782 1.00 0.00 H new ATOM 68 N ALA A 6 -4.969 -9.432 -5.475 1.00 0.00 N ATOM 69 CA ALA A 6 -5.807 -9.034 -4.350 1.00 0.00 C ATOM 70 C ALA A 6 -6.841 -10.108 -4.025 1.00 0.00 C ATOM 71 O ALA A 6 -7.233 -10.279 -2.870 1.00 0.00 O ATOM 72 CB ALA A 6 -6.497 -7.710 -4.649 1.00 0.00 C ATOM 0 H ALA A 6 -5.124 -8.893 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.165 -8.910 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.119 -7.424 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.746 -6.940 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.120 -7.817 -5.537 1.00 0.00 H new ATOM 78 N GLU A 7 -7.276 -10.829 -5.053 1.00 0.00 N ATOM 79 CA GLU A 7 -8.263 -11.888 -4.882 1.00 0.00 C ATOM 80 C GLU A 7 -7.641 -13.100 -4.196 1.00 0.00 C ATOM 81 O GLU A 7 -8.159 -13.594 -3.194 1.00 0.00 O ATOM 82 CB GLU A 7 -8.846 -12.296 -6.235 1.00 0.00 C ATOM 83 CG GLU A 7 -10.084 -11.505 -6.628 1.00 0.00 C ATOM 84 CD GLU A 7 -10.762 -12.058 -7.865 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.333 -11.705 -8.984 1.00 0.00 O ATOM 86 OE2 GLU A 7 -11.720 -12.844 -7.716 1.00 0.00 O ATOM 0 H GLU A 7 -6.960 -10.699 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.066 -11.506 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.084 -12.167 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.096 -13.357 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.791 -11.509 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.806 -10.466 -6.805 1.00 0.00 H new ATOM 93 N ASN A 8 -6.525 -13.573 -4.743 1.00 0.00 N ATOM 94 CA ASN A 8 -5.829 -14.726 -4.186 1.00 0.00 C ATOM 95 C ASN A 8 -5.310 -14.422 -2.784 1.00 0.00 C ATOM 96 O ASN A 8 -5.121 -15.328 -1.973 1.00 0.00 O ATOM 97 CB ASN A 8 -4.668 -15.135 -5.094 1.00 0.00 C ATOM 98 CG ASN A 8 -4.454 -16.636 -5.119 1.00 0.00 C ATOM 99 OD1 ASN A 8 -5.257 -17.379 -5.684 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.368 -17.090 -4.505 1.00 0.00 N ATOM 0 H ASN A 8 -6.084 -13.175 -5.572 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.538 -15.551 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.861 -14.781 -6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.755 -14.646 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.172 -18.091 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.730 -16.438 -4.049 1.00 0.00 H new ATOM 107 N PHE A 9 -5.083 -13.143 -2.508 1.00 0.00 N ATOM 108 CA PHE A 9 -4.588 -12.716 -1.203 1.00 0.00 C ATOM 109 C PHE A 9 -5.697 -12.781 -0.157 1.00 0.00 C ATOM 110 O PHE A 9 -5.546 -13.419 0.886 1.00 0.00 O ATOM 111 CB PHE A 9 -4.026 -11.294 -1.290 1.00 0.00 C ATOM 112 CG PHE A 9 -3.859 -10.621 0.044 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.865 -11.027 0.920 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.698 -9.584 0.420 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.710 -10.408 2.147 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.548 -8.963 1.645 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.552 -9.375 2.509 1.00 0.00 C ATOM 0 H PHE A 9 -5.234 -12.382 -3.171 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.790 -13.394 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.059 -11.326 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.688 -10.690 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.205 -11.835 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.478 -9.258 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.931 -10.732 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.209 -8.156 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.432 -8.890 3.466 1.00 0.00 H new ATOM 127 N ARG A 10 -6.811 -12.111 -0.445 1.00 0.00 N ATOM 128 CA ARG A 10 -7.951 -12.090 0.466 1.00 0.00 C ATOM 129 C ARG A 10 -8.410 -13.506 0.802 1.00 0.00 C ATOM 130 O ARG A 10 -8.940 -13.757 1.885 1.00 0.00 O ATOM 131 CB ARG A 10 -9.107 -11.299 -0.149 1.00 0.00 C ATOM 132 CG ARG A 10 -9.004 -9.799 0.076 1.00 0.00 C ATOM 133 CD ARG A 10 -10.132 -9.053 -0.620 1.00 0.00 C ATOM 134 NE ARG A 10 -10.021 -7.608 -0.443 1.00 0.00 N ATOM 135 CZ ARG A 10 -11.050 -6.821 -0.139 1.00 0.00 C ATOM 136 NH1 ARG A 10 -12.261 -7.337 0.018 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.866 -5.516 0.007 1.00 0.00 N ATOM 0 H ARG A 10 -6.947 -11.576 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.636 -11.603 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.142 -11.496 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.046 -11.658 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.031 -9.587 1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.045 -9.439 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.122 -9.290 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.090 -9.394 -0.227 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.103 -7.178 -0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.406 -8.340 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.047 -6.731 0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.936 -5.115 -0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.655 -4.913 0.240 1.00 0.00 H new ATOM 151 N VAL A 11 -8.203 -14.426 -0.134 1.00 0.00 N ATOM 152 CA VAL A 11 -8.593 -15.817 0.066 1.00 0.00 C ATOM 153 C VAL A 11 -7.505 -16.590 0.803 1.00 0.00 C ATOM 154 O VAL A 11 -7.787 -17.334 1.743 1.00 0.00 O ATOM 155 CB VAL A 11 -8.892 -16.517 -1.274 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.305 -17.964 -1.044 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.968 -15.765 -2.041 1.00 0.00 C ATOM 0 H VAL A 11 -7.768 -14.234 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.501 -15.808 0.669 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.981 -16.515 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.512 -18.440 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.498 -18.497 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.201 -17.992 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.166 -16.274 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.882 -15.732 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.629 -14.749 -2.241 1.00 0.00 H new ATOM 167 N LEU A 12 -6.261 -16.411 0.367 1.00 0.00 N ATOM 168 CA LEU A 12 -5.126 -17.090 0.983 1.00 0.00 C ATOM 169 C LEU A 12 -5.088 -16.844 2.487 1.00 0.00 C ATOM 170 O LEU A 12 -4.675 -17.714 3.252 1.00 0.00 O ATOM 171 CB LEU A 12 -3.813 -16.627 0.348 1.00 0.00 C ATOM 172 CG LEU A 12 -2.583 -17.451 0.731 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.507 -18.717 -0.108 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.317 -16.624 0.567 1.00 0.00 C ATOM 0 H LEU A 12 -6.014 -15.800 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.247 -18.160 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.924 -16.650 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.638 -15.588 0.629 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.673 -17.739 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.626 -19.291 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.401 -19.318 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.440 -18.451 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.451 -17.225 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.222 -16.307 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.370 -15.746 1.211 1.00 0.00 H new ATOM 186 N VAL A 13 -5.525 -15.659 2.907 1.00 0.00 N ATOM 187 CA VAL A 13 -5.535 -15.320 4.328 1.00 0.00 C ATOM 188 C VAL A 13 -6.737 -15.947 5.021 1.00 0.00 C ATOM 189 O VAL A 13 -6.600 -16.592 6.061 1.00 0.00 O ATOM 190 CB VAL A 13 -5.545 -13.795 4.565 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.174 -13.203 4.278 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.610 -13.117 3.718 1.00 0.00 C ATOM 0 H VAL A 13 -5.873 -14.924 2.291 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.615 -15.721 4.752 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.787 -13.617 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.199 -12.127 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.436 -13.659 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.903 -13.398 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.595 -12.043 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.410 -13.304 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.590 -13.516 3.978 1.00 0.00 H new ATOM 202 N LYS A 14 -7.915 -15.757 4.442 1.00 0.00 N ATOM 203 CA LYS A 14 -9.136 -16.323 4.999 1.00 0.00 C ATOM 204 C LYS A 14 -9.260 -17.791 4.610 1.00 0.00 C ATOM 205 O LYS A 14 -10.355 -18.280 4.330 1.00 0.00 O ATOM 206 CB LYS A 14 -10.357 -15.543 4.510 1.00 0.00 C ATOM 207 CG LYS A 14 -10.658 -14.301 5.334 1.00 0.00 C ATOM 208 CD LYS A 14 -12.102 -13.858 5.168 1.00 0.00 C ATOM 209 CE LYS A 14 -12.370 -12.553 5.901 1.00 0.00 C ATOM 210 NZ LYS A 14 -11.530 -11.440 5.381 1.00 0.00 N ATOM 0 H LYS A 14 -8.051 -15.216 3.588 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.089 -16.250 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.198 -15.250 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.227 -16.199 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.457 -14.504 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.992 -13.493 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.327 -13.735 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.768 -14.633 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.423 -12.290 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.175 -12.688 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.939 -10.530 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.566 -11.525 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.497 -11.486 4.343 1.00 0.00 H new ATOM 224 N GLN A 15 -8.127 -18.492 4.594 1.00 0.00 N ATOM 225 CA GLN A 15 -8.108 -19.901 4.226 1.00 0.00 C ATOM 226 C GLN A 15 -8.417 -20.792 5.424 1.00 0.00 C ATOM 227 O GLN A 15 -9.269 -21.677 5.331 1.00 0.00 O ATOM 228 CB GLN A 15 -6.747 -20.275 3.638 1.00 0.00 C ATOM 229 CG GLN A 15 -6.758 -20.421 2.125 1.00 0.00 C ATOM 230 CD GLN A 15 -7.152 -21.815 1.677 1.00 0.00 C ATOM 231 OE1 GLN A 15 -6.298 -22.679 1.473 1.00 0.00 O ATOM 232 NE2 GLN A 15 -8.451 -22.041 1.521 1.00 0.00 N ATOM 0 H GLN A 15 -7.214 -18.105 4.832 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.882 -20.060 3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.019 -19.513 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.413 -21.213 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.452 -19.697 1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.769 -20.183 1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.124 -21.296 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.776 -22.960 1.221 1.00 0.00 H new ATOM 241 N LYS A 16 -7.739 -20.551 6.549 1.00 0.00 N ATOM 242 CA LYS A 16 -7.961 -21.346 7.753 1.00 0.00 C ATOM 243 C LYS A 16 -6.972 -20.975 8.848 1.00 0.00 C ATOM 244 O LYS A 16 -7.330 -20.927 10.025 1.00 0.00 O ATOM 245 CB LYS A 16 -7.840 -22.842 7.448 1.00 0.00 C ATOM 246 CG LYS A 16 -6.548 -23.220 6.742 1.00 0.00 C ATOM 247 CD LYS A 16 -6.149 -24.656 7.043 1.00 0.00 C ATOM 248 CE LYS A 16 -5.970 -25.462 5.766 1.00 0.00 C ATOM 249 NZ LYS A 16 -6.363 -26.886 5.949 1.00 0.00 N ATOM 0 H LYS A 16 -7.038 -19.817 6.649 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.971 -21.130 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.910 -23.401 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.684 -23.147 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.669 -23.093 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.750 -22.546 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.220 -24.665 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.911 -25.124 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.569 -25.019 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.929 -25.411 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.226 -27.401 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.774 -27.316 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.363 -26.937 6.228 1.00 0.00 H new ATOM 263 N LYS A 17 -5.725 -20.715 8.464 1.00 0.00 N ATOM 264 CA LYS A 17 -4.701 -20.371 9.441 1.00 0.00 C ATOM 265 C LYS A 17 -3.935 -19.107 9.061 1.00 0.00 C ATOM 266 O LYS A 17 -3.451 -18.388 9.936 1.00 0.00 O ATOM 267 CB LYS A 17 -3.722 -21.534 9.619 1.00 0.00 C ATOM 268 CG LYS A 17 -4.390 -22.900 9.647 1.00 0.00 C ATOM 269 CD LYS A 17 -4.574 -23.401 11.070 1.00 0.00 C ATOM 270 CE LYS A 17 -4.413 -24.910 11.154 1.00 0.00 C ATOM 271 NZ LYS A 17 -3.118 -25.364 10.576 1.00 0.00 N ATOM 0 H LYS A 17 -5.404 -20.736 7.496 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.215 -20.175 10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.995 -21.512 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.168 -21.392 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.360 -22.842 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.787 -23.613 9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.846 -22.919 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.563 -23.119 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.475 -25.224 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.235 -25.393 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.795 -26.218 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.245 -25.580 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.408 -24.612 10.682 1.00 0.00 H new ATOM 285 N ALA A 18 -3.818 -18.839 7.765 1.00 0.00 N ATOM 286 CA ALA A 18 -3.098 -17.658 7.300 1.00 0.00 C ATOM 287 C ALA A 18 -3.624 -16.397 7.977 1.00 0.00 C ATOM 288 O ALA A 18 -4.702 -15.904 7.644 1.00 0.00 O ATOM 289 CB ALA A 18 -3.202 -17.537 5.789 1.00 0.00 C ATOM 0 H ALA A 18 -4.209 -19.418 7.022 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.048 -17.771 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.660 -16.651 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.771 -18.423 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.250 -17.450 5.502 1.00 0.00 H new ATOM 295 N SER A 19 -2.855 -15.880 8.930 1.00 0.00 N ATOM 296 CA SER A 19 -3.248 -14.683 9.665 1.00 0.00 C ATOM 297 C SER A 19 -2.833 -13.413 8.928 1.00 0.00 C ATOM 298 O SER A 19 -3.682 -12.660 8.449 1.00 0.00 O ATOM 299 CB SER A 19 -2.630 -14.696 11.064 1.00 0.00 C ATOM 300 OG SER A 19 -3.404 -13.930 11.972 1.00 0.00 O ATOM 0 H SER A 19 -1.956 -16.271 9.211 1.00 0.00 H new ATOM 0 HA SER A 19 -4.335 -14.687 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.555 -15.723 11.422 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.616 -14.298 11.021 1.00 0.00 H new ATOM 0 HG SER A 19 -2.988 -13.956 12.859 1.00 0.00 H new ATOM 306 N PHE A 20 -1.525 -13.186 8.834 1.00 0.00 N ATOM 307 CA PHE A 20 -0.999 -11.998 8.166 1.00 0.00 C ATOM 308 C PHE A 20 0.529 -11.990 8.185 1.00 0.00 C ATOM 309 O PHE A 20 1.150 -10.965 8.468 1.00 0.00 O ATOM 310 CB PHE A 20 -1.530 -10.731 8.843 1.00 0.00 C ATOM 311 CG PHE A 20 -1.939 -9.654 7.878 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.037 -9.829 7.050 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.228 -8.468 7.803 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.415 -8.838 6.163 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.603 -7.475 6.918 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.698 -7.661 6.098 1.00 0.00 C ATOM 0 H PHE A 20 -0.810 -13.808 9.212 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.333 -12.020 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.386 -10.994 9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.762 -10.337 9.509 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.602 -10.748 7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.371 -8.317 8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.271 -8.985 5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.040 -6.555 6.868 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.993 -6.886 5.406 1.00 0.00 H new ATOM 326 N GLU A 21 1.131 -13.136 7.880 1.00 0.00 N ATOM 327 CA GLU A 21 2.586 -13.253 7.870 1.00 0.00 C ATOM 328 C GLU A 21 3.094 -13.686 6.497 1.00 0.00 C ATOM 329 O GLU A 21 3.746 -12.915 5.794 1.00 0.00 O ATOM 330 CB GLU A 21 3.045 -14.250 8.934 1.00 0.00 C ATOM 331 CG GLU A 21 4.176 -13.729 9.806 1.00 0.00 C ATOM 332 CD GLU A 21 4.693 -14.773 10.777 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.313 -15.756 10.317 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.477 -14.609 11.996 1.00 0.00 O ATOM 0 H GLU A 21 0.636 -13.994 7.637 1.00 0.00 H new ATOM 0 HA GLU A 21 3.003 -12.272 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.197 -14.508 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.368 -15.169 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.995 -13.393 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.828 -12.860 10.364 1.00 0.00 H new ATOM 341 N GLU A 22 2.792 -14.925 6.124 1.00 0.00 N ATOM 342 CA GLU A 22 3.221 -15.464 4.839 1.00 0.00 C ATOM 343 C GLU A 22 2.527 -14.744 3.686 1.00 0.00 C ATOM 344 O GLU A 22 3.157 -14.403 2.685 1.00 0.00 O ATOM 345 CB GLU A 22 2.927 -16.963 4.769 1.00 0.00 C ATOM 346 CG GLU A 22 3.980 -17.822 5.450 1.00 0.00 C ATOM 347 CD GLU A 22 3.866 -19.288 5.078 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.138 -20.022 5.779 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.503 -19.701 4.088 1.00 0.00 O ATOM 0 H GLU A 22 2.251 -15.575 6.694 1.00 0.00 H new ATOM 0 HA GLU A 22 4.296 -15.305 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.958 -17.157 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.848 -17.261 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.971 -17.458 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.886 -17.717 6.531 1.00 0.00 H new ATOM 356 N ALA A 23 1.227 -14.515 3.838 1.00 0.00 N ATOM 357 CA ALA A 23 0.444 -13.839 2.811 1.00 0.00 C ATOM 358 C ALA A 23 0.858 -12.379 2.665 1.00 0.00 C ATOM 359 O ALA A 23 0.768 -11.805 1.578 1.00 0.00 O ATOM 360 CB ALA A 23 -1.039 -13.938 3.133 1.00 0.00 C ATOM 0 H ALA A 23 0.693 -14.788 4.663 1.00 0.00 H new ATOM 0 HA ALA A 23 0.637 -14.336 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.614 -13.430 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.333 -14.987 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.234 -13.469 4.097 1.00 0.00 H new ATOM 366 N SER A 24 1.315 -11.780 3.761 1.00 0.00 N ATOM 367 CA SER A 24 1.739 -10.385 3.746 1.00 0.00 C ATOM 368 C SER A 24 3.077 -10.234 3.033 1.00 0.00 C ATOM 369 O SER A 24 3.191 -9.493 2.056 1.00 0.00 O ATOM 370 CB SER A 24 1.847 -9.849 5.175 1.00 0.00 C ATOM 371 OG SER A 24 0.641 -10.055 5.889 1.00 0.00 O ATOM 0 H SER A 24 1.401 -12.238 4.668 1.00 0.00 H new ATOM 0 HA SER A 24 0.990 -9.808 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.669 -10.345 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.082 -8.785 5.151 1.00 0.00 H new ATOM 0 HG SER A 24 0.404 -9.237 6.374 1.00 0.00 H new ATOM 377 N ASN A 25 4.089 -10.937 3.533 1.00 0.00 N ATOM 378 CA ASN A 25 5.422 -10.891 2.942 1.00 0.00 C ATOM 379 C ASN A 25 5.364 -11.193 1.449 1.00 0.00 C ATOM 380 O ASN A 25 6.024 -10.533 0.645 1.00 0.00 O ATOM 381 CB ASN A 25 6.348 -11.888 3.640 1.00 0.00 C ATOM 382 CG ASN A 25 7.037 -11.288 4.851 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.053 -10.606 4.726 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.485 -11.544 6.032 1.00 0.00 N ATOM 0 H ASN A 25 4.011 -11.546 4.347 1.00 0.00 H new ATOM 0 HA ASN A 25 5.817 -9.884 3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.772 -12.760 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.101 -12.237 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.905 -11.169 6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.642 -12.115 6.088 1.00 0.00 H new ATOM 391 N GLN A 26 4.568 -12.194 1.085 1.00 0.00 N ATOM 392 CA GLN A 26 4.420 -12.583 -0.313 1.00 0.00 C ATOM 393 C GLN A 26 3.834 -11.438 -1.133 1.00 0.00 C ATOM 394 O GLN A 26 4.341 -11.108 -2.206 1.00 0.00 O ATOM 395 CB GLN A 26 3.526 -13.819 -0.429 1.00 0.00 C ATOM 396 CG GLN A 26 3.848 -14.692 -1.631 1.00 0.00 C ATOM 397 CD GLN A 26 5.103 -15.518 -1.430 1.00 0.00 C ATOM 398 OE1 GLN A 26 6.217 -15.041 -1.648 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.929 -16.766 -1.010 1.00 0.00 N ATOM 0 H GLN A 26 4.016 -12.750 1.738 1.00 0.00 H new ATOM 0 HA GLN A 26 5.408 -12.822 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.624 -14.414 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.485 -13.500 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.007 -15.357 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.969 -14.061 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.988 -17.121 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.737 -17.369 -0.856 1.00 0.00 H new ATOM 408 N LEU A 27 2.761 -10.841 -0.622 1.00 0.00 N ATOM 409 CA LEU A 27 2.108 -9.729 -1.303 1.00 0.00 C ATOM 410 C LEU A 27 3.096 -8.596 -1.557 1.00 0.00 C ATOM 411 O LEU A 27 3.164 -8.055 -2.663 1.00 0.00 O ATOM 412 CB LEU A 27 0.923 -9.220 -0.478 1.00 0.00 C ATOM 413 CG LEU A 27 -0.301 -8.777 -1.288 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.031 -7.566 -2.145 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.815 -9.920 -2.151 1.00 0.00 C ATOM 0 H LEU A 27 2.326 -11.109 0.261 1.00 0.00 H new ATOM 0 HA LEU A 27 1.739 -10.088 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.616 -10.008 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.259 -8.379 0.129 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.088 -8.495 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.851 -7.268 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.346 -6.742 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.837 -7.818 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.684 -9.586 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.032 -10.236 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.098 -10.758 -1.514 1.00 0.00 H new ATOM 427 N ILE A 28 3.859 -8.235 -0.529 1.00 0.00 N ATOM 428 CA ILE A 28 4.841 -7.165 -0.653 1.00 0.00 C ATOM 429 C ILE A 28 5.943 -7.550 -1.636 1.00 0.00 C ATOM 430 O ILE A 28 6.480 -6.699 -2.348 1.00 0.00 O ATOM 431 CB ILE A 28 5.455 -6.802 0.721 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.504 -5.283 0.892 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.846 -7.402 0.885 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.176 -4.680 1.298 1.00 0.00 C ATOM 0 H ILE A 28 3.816 -8.666 0.394 1.00 0.00 H new ATOM 0 HA ILE A 28 4.321 -6.287 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 28 4.818 -7.226 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.253 -5.034 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.829 -4.830 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.248 -7.128 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.785 -8.488 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.501 -7.020 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.283 -3.600 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.429 -4.899 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.859 -5.106 2.250 1.00 0.00 H new ATOM 446 N ASN A 29 6.275 -8.838 -1.669 1.00 0.00 N ATOM 447 CA ASN A 29 7.305 -9.338 -2.570 1.00 0.00 C ATOM 448 C ASN A 29 6.857 -9.183 -4.016 1.00 0.00 C ATOM 449 O ASN A 29 7.625 -8.745 -4.873 1.00 0.00 O ATOM 450 CB ASN A 29 7.612 -10.807 -2.271 1.00 0.00 C ATOM 451 CG ASN A 29 9.086 -11.132 -2.415 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.479 -11.915 -3.279 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.911 -10.529 -1.565 1.00 0.00 N ATOM 0 H ASN A 29 5.845 -9.553 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 29 8.213 -8.754 -2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.288 -11.044 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.036 -11.440 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.914 -10.708 -1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.541 -9.887 -0.864 1.00 0.00 H new ATOM 460 N HIS A 30 5.605 -9.549 -4.279 1.00 0.00 N ATOM 461 CA HIS A 30 5.043 -9.436 -5.617 1.00 0.00 C ATOM 462 C HIS A 30 5.059 -7.981 -6.065 1.00 0.00 C ATOM 463 O HIS A 30 5.431 -7.672 -7.197 1.00 0.00 O ATOM 464 CB HIS A 30 3.613 -9.979 -5.644 1.00 0.00 C ATOM 465 CG HIS A 30 3.390 -11.028 -6.688 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.084 -12.220 -6.718 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.545 -11.061 -7.746 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.675 -12.940 -7.749 1.00 0.00 C ATOM 469 NE2 HIS A 30 2.743 -12.259 -8.387 1.00 0.00 N ATOM 0 H HIS A 30 4.963 -9.926 -3.582 1.00 0.00 H new ATOM 0 HA HIS A 30 5.651 -10.027 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.373 -10.395 -4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.923 -9.153 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.846 -10.289 -8.032 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.042 -13.919 -8.022 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.249 -12.572 -9.222 1.00 0.00 H new ATOM 478 N ILE A 31 4.650 -7.092 -5.165 1.00 0.00 N ATOM 479 CA ILE A 31 4.634 -5.665 -5.460 1.00 0.00 C ATOM 480 C ILE A 31 6.028 -5.193 -5.856 1.00 0.00 C ATOM 481 O ILE A 31 6.207 -4.539 -6.885 1.00 0.00 O ATOM 482 CB ILE A 31 4.140 -4.837 -4.254 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.677 -5.164 -3.945 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.309 -3.348 -4.526 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.180 -4.557 -2.648 1.00 0.00 C ATOM 0 H ILE A 31 4.326 -7.334 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 31 3.941 -5.513 -6.288 1.00 0.00 H new ATOM 0 HB ILE A 31 4.743 -5.098 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.053 -4.809 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.557 -6.246 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.956 -2.779 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.362 -3.127 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.730 -3.071 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.136 -4.831 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.779 -4.932 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.267 -3.472 -2.697 1.00 0.00 H new ATOM 497 N GLU A 32 7.012 -5.529 -5.026 1.00 0.00 N ATOM 498 CA GLU A 32 8.398 -5.150 -5.287 1.00 0.00 C ATOM 499 C GLU A 32 8.862 -5.679 -6.640 1.00 0.00 C ATOM 500 O GLU A 32 9.447 -4.944 -7.437 1.00 0.00 O ATOM 501 CB GLU A 32 9.310 -5.682 -4.180 1.00 0.00 C ATOM 502 CG GLU A 32 9.141 -4.961 -2.853 1.00 0.00 C ATOM 503 CD GLU A 32 10.091 -5.472 -1.787 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.269 -5.057 -1.793 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.655 -6.288 -0.947 1.00 0.00 O ATOM 0 H GLU A 32 6.876 -6.063 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 32 8.453 -4.062 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.110 -6.744 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.348 -5.594 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.306 -3.894 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.114 -5.080 -2.507 1.00 0.00 H new ATOM 512 N GLN A 33 8.597 -6.958 -6.892 1.00 0.00 N ATOM 513 CA GLN A 33 8.982 -7.590 -8.148 1.00 0.00 C ATOM 514 C GLN A 33 8.449 -6.793 -9.332 1.00 0.00 C ATOM 515 O GLN A 33 9.179 -6.505 -10.278 1.00 0.00 O ATOM 516 CB GLN A 33 8.459 -9.026 -8.206 1.00 0.00 C ATOM 517 CG GLN A 33 9.296 -10.010 -7.404 1.00 0.00 C ATOM 518 CD GLN A 33 10.434 -10.603 -8.213 1.00 0.00 C ATOM 519 OE1 GLN A 33 11.386 -9.908 -8.566 1.00 0.00 O ATOM 520 NE2 GLN A 33 10.339 -11.894 -8.511 1.00 0.00 N ATOM 0 H GLN A 33 8.116 -7.578 -6.240 1.00 0.00 H new ATOM 0 HA GLN A 33 10.071 -7.610 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.434 -9.046 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.428 -9.351 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.703 -9.505 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.656 -10.814 -7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.531 -12.432 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.074 -12.348 -9.054 1.00 0.00 H new ATOM 529 N PHE A 34 7.164 -6.457 -9.278 1.00 0.00 N ATOM 530 CA PHE A 34 6.537 -5.681 -10.340 1.00 0.00 C ATOM 531 C PHE A 34 7.307 -4.388 -10.594 1.00 0.00 C ATOM 532 O PHE A 34 7.551 -4.020 -11.742 1.00 0.00 O ATOM 533 CB PHE A 34 5.082 -5.364 -9.987 1.00 0.00 C ATOM 534 CG PHE A 34 4.107 -6.404 -10.465 1.00 0.00 C ATOM 535 CD1 PHE A 34 4.222 -7.723 -10.055 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.076 -6.060 -11.325 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.326 -8.679 -10.494 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.177 -7.013 -11.766 1.00 0.00 C ATOM 539 CZ PHE A 34 2.302 -8.324 -11.351 1.00 0.00 C ATOM 0 H PHE A 34 6.539 -6.709 -8.512 1.00 0.00 H new ATOM 0 HA PHE A 34 6.555 -6.280 -11.250 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.993 -5.264 -8.905 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.814 -4.400 -10.419 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.020 -8.007 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.974 -5.036 -11.654 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.426 -9.704 -10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.377 -6.732 -12.435 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.601 -9.070 -11.695 1.00 0.00 H new ATOM 549 N LEU A 35 7.695 -3.708 -9.517 1.00 0.00 N ATOM 550 CA LEU A 35 8.439 -2.452 -9.622 1.00 0.00 C ATOM 551 C LEU A 35 9.777 -2.666 -10.327 1.00 0.00 C ATOM 552 O LEU A 35 10.399 -1.718 -10.807 1.00 0.00 O ATOM 553 CB LEU A 35 8.675 -1.859 -8.232 1.00 0.00 C ATOM 554 CG LEU A 35 7.452 -1.202 -7.593 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.525 -1.297 -6.077 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.337 0.250 -8.032 1.00 0.00 C ATOM 0 H LEU A 35 7.507 -4.005 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 35 7.844 -1.756 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.030 -2.650 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.472 -1.119 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 35 6.562 -1.735 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.646 -0.824 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.559 -2.345 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.423 -0.790 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.461 0.702 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.231 0.794 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.237 0.295 -9.116 1.00 0.00 H new ATOM 568 N ASP A 36 10.211 -3.921 -10.382 1.00 0.00 N ATOM 569 CA ASP A 36 11.478 -4.270 -11.019 1.00 0.00 C ATOM 570 C ASP A 36 11.336 -4.280 -12.539 1.00 0.00 C ATOM 571 O ASP A 36 12.317 -4.445 -13.263 1.00 0.00 O ATOM 572 CB ASP A 36 11.966 -5.635 -10.530 1.00 0.00 C ATOM 573 CG ASP A 36 13.452 -5.832 -10.757 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.246 -5.415 -9.886 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.821 -6.403 -11.804 1.00 0.00 O ATOM 0 H ASP A 36 9.704 -4.715 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 36 12.213 -3.514 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.747 -5.737 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.415 -6.421 -11.046 1.00 0.00 H new ATOM 580 N THR A 37 10.105 -4.101 -13.011 1.00 0.00 N ATOM 581 CA THR A 37 9.821 -4.084 -14.437 1.00 0.00 C ATOM 582 C THR A 37 9.059 -2.822 -14.817 1.00 0.00 C ATOM 583 O THR A 37 7.949 -2.587 -14.341 1.00 0.00 O ATOM 584 CB THR A 37 8.999 -5.314 -14.864 1.00 0.00 C ATOM 585 OG1 THR A 37 7.726 -5.305 -14.207 1.00 0.00 O ATOM 586 CG2 THR A 37 9.737 -6.601 -14.530 1.00 0.00 C ATOM 0 H THR A 37 9.285 -3.965 -12.419 1.00 0.00 H new ATOM 0 HA THR A 37 10.780 -4.105 -14.955 1.00 0.00 H new ATOM 0 HB THR A 37 8.852 -5.267 -15.943 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.804 -4.840 -13.348 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.137 -7.456 -14.841 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.693 -6.619 -15.054 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.912 -6.652 -13.455 1.00 0.00 H new ATOM 594 N ASN A 38 9.663 -2.017 -15.676 1.00 0.00 N ATOM 595 CA ASN A 38 9.051 -0.772 -16.127 1.00 0.00 C ATOM 596 C ASN A 38 7.963 -1.048 -17.161 1.00 0.00 C ATOM 597 O ASN A 38 8.205 -1.716 -18.166 1.00 0.00 O ATOM 598 CB ASN A 38 10.111 0.157 -16.720 1.00 0.00 C ATOM 599 CG ASN A 38 9.675 1.608 -16.716 1.00 0.00 C ATOM 600 OD1 ASN A 38 8.748 1.992 -17.430 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.342 2.425 -15.909 1.00 0.00 N ATOM 0 H ASN A 38 10.582 -2.203 -16.078 1.00 0.00 H new ATOM 0 HA ASN A 38 8.595 -0.285 -15.265 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.036 0.057 -16.153 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.329 -0.151 -17.743 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.093 3.413 -15.864 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.104 2.064 -15.334 1.00 0.00 H new ATOM 608 N GLU A 39 6.766 -0.525 -16.909 1.00 0.00 N ATOM 609 CA GLU A 39 5.636 -0.715 -17.814 1.00 0.00 C ATOM 610 C GLU A 39 4.544 0.314 -17.536 1.00 0.00 C ATOM 611 O GLU A 39 4.553 0.977 -16.499 1.00 0.00 O ATOM 612 CB GLU A 39 5.069 -2.129 -17.670 1.00 0.00 C ATOM 613 CG GLU A 39 5.572 -3.103 -18.723 1.00 0.00 C ATOM 614 CD GLU A 39 5.318 -2.618 -20.137 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.159 -2.710 -20.597 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.275 -2.146 -20.784 1.00 0.00 O ATOM 0 H GLU A 39 6.553 0.035 -16.083 1.00 0.00 H new ATOM 0 HA GLU A 39 5.992 -0.579 -18.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.323 -2.513 -16.682 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.981 -2.081 -17.723 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.641 -3.262 -18.584 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.086 -4.068 -18.581 1.00 0.00 H new ATOM 623 N THR A 40 3.611 0.449 -18.471 1.00 0.00 N ATOM 624 CA THR A 40 2.517 1.402 -18.325 1.00 0.00 C ATOM 625 C THR A 40 1.373 0.850 -17.463 1.00 0.00 C ATOM 626 O THR A 40 0.929 1.515 -16.527 1.00 0.00 O ATOM 627 CB THR A 40 1.960 1.836 -19.695 1.00 0.00 C ATOM 628 OG1 THR A 40 3.037 2.182 -20.574 1.00 0.00 O ATOM 629 CG2 THR A 40 1.020 3.024 -19.547 1.00 0.00 C ATOM 0 H THR A 40 3.590 -0.089 -19.338 1.00 0.00 H new ATOM 0 HA THR A 40 2.940 2.269 -17.818 1.00 0.00 H new ATOM 0 HB THR A 40 1.401 1.000 -20.115 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.675 2.455 -21.443 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.640 3.312 -20.527 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.186 2.750 -18.901 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.560 3.862 -19.107 1.00 0.00 H new ATOM 637 N PRO A 41 0.874 -0.370 -17.761 1.00 0.00 N ATOM 638 CA PRO A 41 -0.231 -0.972 -17.013 1.00 0.00 C ATOM 639 C PRO A 41 0.220 -1.792 -15.805 1.00 0.00 C ATOM 640 O PRO A 41 -0.586 -2.485 -15.185 1.00 0.00 O ATOM 641 CB PRO A 41 -0.864 -1.881 -18.060 1.00 0.00 C ATOM 642 CG PRO A 41 0.286 -2.354 -18.886 1.00 0.00 C ATOM 643 CD PRO A 41 1.331 -1.263 -18.847 1.00 0.00 C ATOM 0 HA PRO A 41 -0.894 -0.218 -16.588 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.390 -2.716 -17.596 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.593 -1.342 -18.665 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.687 -3.287 -18.491 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.029 -2.551 -19.911 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.322 -1.667 -18.641 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.393 -0.735 -19.799 1.00 0.00 H new ATOM 651 N TYR A 42 1.504 -1.715 -15.471 1.00 0.00 N ATOM 652 CA TYR A 42 2.033 -2.464 -14.335 1.00 0.00 C ATOM 653 C TYR A 42 1.879 -1.678 -13.035 1.00 0.00 C ATOM 654 O TYR A 42 1.642 -2.259 -11.975 1.00 0.00 O ATOM 655 CB TYR A 42 3.497 -2.857 -14.580 1.00 0.00 C ATOM 656 CG TYR A 42 4.512 -2.104 -13.746 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.787 -2.484 -12.439 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.203 -1.022 -14.274 1.00 0.00 C ATOM 659 CE1 TYR A 42 5.723 -1.807 -11.683 1.00 0.00 C ATOM 660 CE2 TYR A 42 6.139 -0.339 -13.523 1.00 0.00 C ATOM 661 CZ TYR A 42 6.396 -0.736 -12.229 1.00 0.00 C ATOM 662 OH TYR A 42 7.334 -0.064 -11.479 1.00 0.00 O ATOM 0 H TYR A 42 2.193 -1.147 -15.965 1.00 0.00 H new ATOM 0 HA TYR A 42 1.451 -3.380 -14.233 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.608 -3.923 -14.384 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.728 -2.700 -15.634 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.260 -3.322 -12.007 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.005 -0.709 -15.289 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.927 -2.116 -10.668 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.667 0.502 -13.948 1.00 0.00 H new ATOM 0 HH TYR A 42 7.145 0.897 -11.504 1.00 0.00 H new ATOM 672 N PHE A 43 2.016 -0.358 -13.118 1.00 0.00 N ATOM 673 CA PHE A 43 1.887 0.496 -11.940 1.00 0.00 C ATOM 674 C PHE A 43 0.469 0.436 -11.383 1.00 0.00 C ATOM 675 O PHE A 43 0.224 0.806 -10.235 1.00 0.00 O ATOM 676 CB PHE A 43 2.257 1.942 -12.279 1.00 0.00 C ATOM 677 CG PHE A 43 3.721 2.248 -12.109 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.378 1.936 -10.927 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.437 2.849 -13.131 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.721 2.219 -10.771 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.781 3.134 -12.979 1.00 0.00 C ATOM 682 CZ PHE A 43 6.424 2.818 -11.798 1.00 0.00 C ATOM 0 H PHE A 43 2.215 0.143 -13.984 1.00 0.00 H new ATOM 0 HA PHE A 43 2.576 0.128 -11.179 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.969 2.149 -13.310 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.678 2.614 -11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.834 1.467 -10.121 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.940 3.098 -14.057 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.221 1.972 -9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.328 3.603 -13.783 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.474 3.039 -11.678 1.00 0.00 H new ATOM 692 N MET A 44 -0.463 -0.036 -12.207 1.00 0.00 N ATOM 693 CA MET A 44 -1.857 -0.150 -11.797 1.00 0.00 C ATOM 694 C MET A 44 -2.048 -1.365 -10.896 1.00 0.00 C ATOM 695 O MET A 44 -2.950 -1.396 -10.057 1.00 0.00 O ATOM 696 CB MET A 44 -2.767 -0.259 -13.023 1.00 0.00 C ATOM 697 CG MET A 44 -3.969 0.669 -12.973 1.00 0.00 C ATOM 698 SD MET A 44 -4.913 0.667 -14.509 1.00 0.00 S ATOM 699 CE MET A 44 -6.310 1.689 -14.050 1.00 0.00 C ATOM 0 H MET A 44 -0.277 -0.345 -13.161 1.00 0.00 H new ATOM 0 HA MET A 44 -2.126 0.747 -11.239 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.185 -0.038 -13.918 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.116 -1.287 -13.116 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.620 0.370 -12.151 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.631 1.683 -12.760 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.987 1.782 -14.899 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.838 1.230 -13.214 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.957 2.678 -13.757 1.00 0.00 H new ATOM 709 N LYS A 45 -1.190 -2.363 -11.079 1.00 0.00 N ATOM 710 CA LYS A 45 -1.252 -3.584 -10.282 1.00 0.00 C ATOM 711 C LYS A 45 -0.700 -3.341 -8.882 1.00 0.00 C ATOM 712 O LYS A 45 -1.154 -3.946 -7.909 1.00 0.00 O ATOM 713 CB LYS A 45 -0.468 -4.704 -10.968 1.00 0.00 C ATOM 714 CG LYS A 45 -1.070 -6.084 -10.758 1.00 0.00 C ATOM 715 CD LYS A 45 -1.482 -6.719 -12.075 1.00 0.00 C ATOM 716 CE LYS A 45 -2.268 -8.000 -11.854 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.786 -9.106 -12.727 1.00 0.00 N ATOM 0 H LYS A 45 -0.442 -2.351 -11.773 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.296 -3.884 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.416 -4.498 -12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.556 -4.702 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.346 -6.725 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.938 -6.008 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.086 -6.014 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.594 -6.934 -12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.186 -8.300 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.324 -7.816 -12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.348 -9.962 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.888 -8.830 -13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.785 -9.299 -12.522 1.00 0.00 H new ATOM 731 N SER A 46 0.281 -2.447 -8.785 1.00 0.00 N ATOM 732 CA SER A 46 0.887 -2.121 -7.501 1.00 0.00 C ATOM 733 C SER A 46 -0.122 -1.410 -6.607 1.00 0.00 C ATOM 734 O SER A 46 -0.337 -1.808 -5.462 1.00 0.00 O ATOM 735 CB SER A 46 2.125 -1.243 -7.701 1.00 0.00 C ATOM 736 OG SER A 46 2.126 -0.648 -8.986 1.00 0.00 O ATOM 0 H SER A 46 0.671 -1.938 -9.578 1.00 0.00 H new ATOM 0 HA SER A 46 1.193 -3.049 -7.017 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.151 -0.466 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.025 -1.844 -7.575 1.00 0.00 H new ATOM 0 HG SER A 46 1.307 -0.123 -9.104 1.00 0.00 H new ATOM 742 N ILE A 47 -0.730 -0.351 -7.135 1.00 0.00 N ATOM 743 CA ILE A 47 -1.730 0.405 -6.391 1.00 0.00 C ATOM 744 C ILE A 47 -2.896 -0.495 -5.997 1.00 0.00 C ATOM 745 O ILE A 47 -3.421 -0.401 -4.886 1.00 0.00 O ATOM 746 CB ILE A 47 -2.268 1.592 -7.212 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.111 2.435 -7.751 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.201 2.445 -6.365 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.428 3.130 -9.057 1.00 0.00 C ATOM 0 H ILE A 47 -0.547 0.002 -8.074 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.242 0.791 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.833 1.201 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.840 3.184 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.240 1.795 -7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.572 3.279 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.041 1.839 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.659 2.829 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.563 3.709 -9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.670 2.386 -9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.279 3.796 -8.917 1.00 0.00 H new ATOM 761 N ASP A 48 -3.293 -1.370 -6.917 1.00 0.00 N ATOM 762 CA ASP A 48 -4.389 -2.295 -6.663 1.00 0.00 C ATOM 763 C ASP A 48 -4.032 -3.221 -5.508 1.00 0.00 C ATOM 764 O ASP A 48 -4.907 -3.732 -4.807 1.00 0.00 O ATOM 765 CB ASP A 48 -4.699 -3.116 -7.917 1.00 0.00 C ATOM 766 CG ASP A 48 -6.077 -3.746 -7.870 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.195 -4.879 -7.356 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.039 -3.107 -8.346 1.00 0.00 O ATOM 0 H ASP A 48 -2.872 -1.456 -7.842 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.276 -1.719 -6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.626 -2.474 -8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.949 -3.898 -8.030 1.00 0.00 H new ATOM 773 N CYS A 49 -2.731 -3.426 -5.317 1.00 0.00 N ATOM 774 CA CYS A 49 -2.239 -4.278 -4.245 1.00 0.00 C ATOM 775 C CYS A 49 -2.165 -3.496 -2.939 1.00 0.00 C ATOM 776 O CYS A 49 -2.627 -3.965 -1.898 1.00 0.00 O ATOM 777 CB CYS A 49 -0.860 -4.839 -4.600 1.00 0.00 C ATOM 778 SG CYS A 49 -0.913 -6.353 -5.586 1.00 0.00 S ATOM 0 H CYS A 49 -1.999 -3.011 -5.894 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.933 -5.109 -4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.301 -4.081 -5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.312 -5.037 -3.679 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.026 -6.048 -6.844 1.00 0.00 H new ATOM 784 N ILE A 50 -1.581 -2.298 -2.998 1.00 0.00 N ATOM 785 CA ILE A 50 -1.454 -1.450 -1.819 1.00 0.00 C ATOM 786 C ILE A 50 -2.828 -1.042 -1.301 1.00 0.00 C ATOM 787 O ILE A 50 -2.980 -0.664 -0.141 1.00 0.00 O ATOM 788 CB ILE A 50 -0.621 -0.183 -2.127 1.00 0.00 C ATOM 789 CG1 ILE A 50 0.136 0.279 -0.879 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.509 0.935 -2.659 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.182 1.336 -1.166 1.00 0.00 C ATOM 0 H ILE A 50 -1.190 -1.896 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.938 -2.029 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 50 0.106 -0.434 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.578 0.672 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.618 -0.582 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.900 1.815 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.998 0.606 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.265 1.185 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.679 1.617 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.917 0.940 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.703 2.213 -1.601 1.00 0.00 H new ATOM 803 N ARG A 51 -3.824 -1.126 -2.177 1.00 0.00 N ATOM 804 CA ARG A 51 -5.189 -0.771 -1.817 1.00 0.00 C ATOM 805 C ARG A 51 -5.833 -1.902 -1.029 1.00 0.00 C ATOM 806 O ARG A 51 -6.346 -1.695 0.071 1.00 0.00 O ATOM 807 CB ARG A 51 -6.013 -0.470 -3.071 1.00 0.00 C ATOM 808 CG ARG A 51 -5.949 0.985 -3.506 1.00 0.00 C ATOM 809 CD ARG A 51 -7.272 1.694 -3.271 1.00 0.00 C ATOM 810 NE ARG A 51 -7.343 2.970 -3.979 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.416 3.385 -4.646 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.505 2.629 -4.695 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.401 4.558 -5.264 1.00 0.00 N ATOM 0 H ARG A 51 -3.710 -1.437 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.162 0.124 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.660 -1.100 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.053 -0.740 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.158 1.496 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.689 1.039 -4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.090 1.052 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.407 1.864 -2.203 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.523 3.577 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.521 1.726 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.326 2.950 -5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.566 5.143 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.224 4.876 -5.775 1.00 0.00 H new ATOM 827 N ALA A 52 -5.803 -3.100 -1.603 1.00 0.00 N ATOM 828 CA ALA A 52 -6.373 -4.273 -0.952 1.00 0.00 C ATOM 829 C ALA A 52 -5.658 -4.567 0.363 1.00 0.00 C ATOM 830 O ALA A 52 -6.261 -5.067 1.313 1.00 0.00 O ATOM 831 CB ALA A 52 -6.301 -5.477 -1.876 1.00 0.00 C ATOM 0 H ALA A 52 -5.390 -3.284 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.420 -4.065 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.730 -6.345 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.861 -5.270 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.260 -5.681 -2.128 1.00 0.00 H new ATOM 837 N PHE A 53 -4.367 -4.251 0.408 1.00 0.00 N ATOM 838 CA PHE A 53 -3.561 -4.477 1.602 1.00 0.00 C ATOM 839 C PHE A 53 -3.917 -3.476 2.699 1.00 0.00 C ATOM 840 O PHE A 53 -4.240 -3.860 3.824 1.00 0.00 O ATOM 841 CB PHE A 53 -2.073 -4.374 1.262 1.00 0.00 C ATOM 842 CG PHE A 53 -1.195 -5.240 2.121 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.043 -4.974 3.472 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.517 -6.318 1.575 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.234 -5.767 4.262 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.293 -7.115 2.359 1.00 0.00 C ATOM 847 CZ PHE A 53 0.435 -6.839 3.705 1.00 0.00 C ATOM 0 H PHE A 53 -3.856 -3.836 -0.371 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.775 -5.480 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.928 -4.649 0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.757 -3.336 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.563 -4.137 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.624 -6.538 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.125 -5.549 5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.815 -7.953 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.068 -7.461 4.321 1.00 0.00 H new ATOM 857 N ARG A 54 -3.843 -2.190 2.366 1.00 0.00 N ATOM 858 CA ARG A 54 -4.158 -1.132 3.320 1.00 0.00 C ATOM 859 C ARG A 54 -5.539 -1.331 3.929 1.00 0.00 C ATOM 860 O ARG A 54 -5.733 -1.110 5.119 1.00 0.00 O ATOM 861 CB ARG A 54 -4.086 0.237 2.642 1.00 0.00 C ATOM 862 CG ARG A 54 -3.287 1.265 3.425 1.00 0.00 C ATOM 863 CD ARG A 54 -3.721 2.682 3.087 1.00 0.00 C ATOM 864 NE ARG A 54 -2.755 3.355 2.223 1.00 0.00 N ATOM 865 CZ ARG A 54 -2.733 3.227 0.899 1.00 0.00 C ATOM 866 NH1 ARG A 54 -3.623 2.455 0.290 1.00 0.00 N ATOM 867 NH2 ARG A 54 -1.821 3.870 0.184 1.00 0.00 N ATOM 0 H ARG A 54 -3.568 -1.856 1.442 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.419 -1.177 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.641 0.120 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.098 0.613 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.414 1.089 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.226 1.146 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.693 2.656 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.845 3.253 4.007 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.057 3.958 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.326 1.958 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.604 2.358 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.134 4.464 0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.806 3.771 -0.831 1.00 0.00 H new ATOM 881 N GLU A 55 -6.494 -1.751 3.108 1.00 0.00 N ATOM 882 CA GLU A 55 -7.860 -1.972 3.573 1.00 0.00 C ATOM 883 C GLU A 55 -7.920 -3.103 4.597 1.00 0.00 C ATOM 884 O GLU A 55 -8.480 -2.942 5.684 1.00 0.00 O ATOM 885 CB GLU A 55 -8.776 -2.292 2.391 1.00 0.00 C ATOM 886 CG GLU A 55 -9.451 -1.068 1.795 1.00 0.00 C ATOM 887 CD GLU A 55 -10.459 -1.423 0.719 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.044 -1.608 -0.445 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.663 -1.516 1.040 1.00 0.00 O ATOM 0 H GLU A 55 -6.349 -1.946 2.117 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.201 -1.056 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.194 -2.789 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.542 -2.997 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.952 -0.512 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.692 -0.409 1.373 1.00 0.00 H new ATOM 896 N GLU A 56 -7.332 -4.242 4.246 1.00 0.00 N ATOM 897 CA GLU A 56 -7.330 -5.405 5.128 1.00 0.00 C ATOM 898 C GLU A 56 -6.541 -5.132 6.405 1.00 0.00 C ATOM 899 O GLU A 56 -6.779 -5.765 7.437 1.00 0.00 O ATOM 900 CB GLU A 56 -6.740 -6.617 4.403 1.00 0.00 C ATOM 901 CG GLU A 56 -7.655 -7.188 3.332 1.00 0.00 C ATOM 902 CD GLU A 56 -8.147 -8.582 3.667 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.378 -9.547 3.468 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.300 -8.711 4.126 1.00 0.00 O ATOM 0 H GLU A 56 -6.851 -4.385 3.358 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.363 -5.616 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.793 -6.331 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.519 -7.395 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.511 -6.526 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.123 -7.213 2.381 1.00 0.00 H new ATOM 911 N ALA A 57 -5.612 -4.182 6.338 1.00 0.00 N ATOM 912 CA ALA A 57 -4.791 -3.838 7.491 1.00 0.00 C ATOM 913 C ALA A 57 -5.491 -2.806 8.367 1.00 0.00 C ATOM 914 O ALA A 57 -5.724 -3.041 9.556 1.00 0.00 O ATOM 915 CB ALA A 57 -3.435 -3.318 7.038 1.00 0.00 C ATOM 0 H ALA A 57 -5.411 -3.639 5.498 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.639 -4.740 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.832 -3.065 7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.926 -4.087 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.573 -2.429 6.422 1.00 0.00 H new ATOM 921 N ILE A 58 -5.823 -1.661 7.773 1.00 0.00 N ATOM 922 CA ILE A 58 -6.499 -0.597 8.504 1.00 0.00 C ATOM 923 C ILE A 58 -7.755 -1.134 9.170 1.00 0.00 C ATOM 924 O ILE A 58 -8.069 -0.778 10.304 1.00 0.00 O ATOM 925 CB ILE A 58 -6.878 0.592 7.593 1.00 0.00 C ATOM 926 CG1 ILE A 58 -7.867 0.154 6.510 1.00 0.00 C ATOM 927 CG2 ILE A 58 -5.632 1.199 6.967 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.281 0.636 6.751 1.00 0.00 C ATOM 0 H ILE A 58 -5.635 -1.449 6.793 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.798 -0.235 9.257 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.362 1.352 8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.524 0.527 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.868 -0.934 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.916 2.035 6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.965 1.553 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.120 0.444 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.926 0.288 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.643 0.242 7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.294 1.725 6.782 1.00 0.00 H new ATOM 940 N LYS A 59 -8.469 -1.995 8.451 1.00 0.00 N ATOM 941 CA LYS A 59 -9.684 -2.599 8.971 1.00 0.00 C ATOM 942 C LYS A 59 -9.439 -3.184 10.354 1.00 0.00 C ATOM 943 O LYS A 59 -10.145 -2.853 11.306 1.00 0.00 O ATOM 944 CB LYS A 59 -10.188 -3.691 8.025 1.00 0.00 C ATOM 945 CG LYS A 59 -11.265 -3.214 7.064 1.00 0.00 C ATOM 946 CD LYS A 59 -12.037 -4.380 6.470 1.00 0.00 C ATOM 947 CE LYS A 59 -13.129 -3.903 5.527 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.654 -5.010 4.681 1.00 0.00 N ATOM 0 H LYS A 59 -8.224 -2.288 7.505 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.444 -1.822 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.347 -4.079 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.580 -4.519 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.953 -2.550 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.808 -2.633 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.352 -5.035 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.480 -4.971 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.945 -3.470 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.737 -3.112 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.397 -4.644 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.881 -5.407 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.052 -5.754 5.290 1.00 0.00 H new ATOM 962 N PHE A 60 -8.429 -4.049 10.465 1.00 0.00 N ATOM 963 CA PHE A 60 -8.108 -4.674 11.747 1.00 0.00 C ATOM 964 C PHE A 60 -6.879 -5.568 11.636 1.00 0.00 C ATOM 965 O PHE A 60 -6.997 -6.789 11.535 1.00 0.00 O ATOM 966 CB PHE A 60 -9.296 -5.492 12.274 1.00 0.00 C ATOM 967 CG PHE A 60 -10.177 -6.074 11.199 1.00 0.00 C ATOM 968 CD1 PHE A 60 -9.707 -7.063 10.350 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.481 -5.628 11.043 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.519 -7.596 9.366 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.297 -6.158 10.061 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.815 -7.143 9.223 1.00 0.00 C ATOM 0 H PHE A 60 -7.826 -4.330 9.692 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.891 -3.871 12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.916 -6.304 12.894 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.902 -4.856 12.919 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.694 -7.422 10.458 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.863 -4.858 11.696 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.140 -8.366 8.710 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.310 -5.802 9.950 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.451 -7.559 8.456 1.00 0.00 H new ATOM 982 N SER A 61 -5.698 -4.963 11.667 1.00 0.00 N ATOM 983 CA SER A 61 -4.463 -5.728 11.574 1.00 0.00 C ATOM 984 C SER A 61 -3.268 -4.936 12.089 1.00 0.00 C ATOM 985 O SER A 61 -3.043 -4.854 13.295 1.00 0.00 O ATOM 986 CB SER A 61 -4.221 -6.177 10.131 1.00 0.00 C ATOM 987 OG SER A 61 -3.252 -7.210 10.076 1.00 0.00 O ATOM 0 H SER A 61 -5.570 -3.955 11.755 1.00 0.00 H new ATOM 0 HA SER A 61 -4.573 -6.608 12.207 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.156 -6.527 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.888 -5.329 9.533 1.00 0.00 H new ATOM 0 HG SER A 61 -2.865 -7.248 9.177 1.00 0.00 H new ATOM 993 N GLU A 62 -2.506 -4.354 11.172 1.00 0.00 N ATOM 994 CA GLU A 62 -1.324 -3.590 11.548 1.00 0.00 C ATOM 995 C GLU A 62 -1.280 -2.248 10.832 1.00 0.00 C ATOM 996 O GLU A 62 -0.407 -2.001 10.003 1.00 0.00 O ATOM 997 CB GLU A 62 -0.059 -4.391 11.234 1.00 0.00 C ATOM 998 CG GLU A 62 0.110 -5.626 12.104 1.00 0.00 C ATOM 999 CD GLU A 62 0.607 -5.295 13.497 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.840 -5.250 13.693 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -0.237 -5.079 14.392 1.00 0.00 O ATOM 0 H GLU A 62 -2.684 -4.396 10.168 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.375 -3.399 12.620 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.081 -4.694 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.810 -3.746 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.844 -6.147 12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.811 -6.310 11.625 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.243 -1.390 11.145 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.308 -0.059 10.545 1.00 0.00 C ATOM 1010 C GLU A 63 -0.979 0.689 10.693 1.00 0.00 C ATOM 1011 O GLU A 63 -0.578 1.437 9.801 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.440 0.754 11.180 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.191 1.125 12.633 1.00 0.00 C ATOM 1014 CD GLU A 63 -3.243 -0.075 13.560 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -4.220 -0.847 13.477 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -2.304 -0.242 14.366 1.00 0.00 O ATOM 0 H GLU A 63 -2.990 -1.590 11.810 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.507 -0.184 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.587 1.666 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.366 0.182 11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.216 1.604 12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.935 1.856 12.950 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.301 0.482 11.822 1.00 0.00 N ATOM 1024 CA GLN A 64 0.980 1.141 12.086 1.00 0.00 C ATOM 1025 C GLN A 64 2.083 0.581 11.187 1.00 0.00 C ATOM 1026 O GLN A 64 3.131 1.205 11.013 1.00 0.00 O ATOM 1027 CB GLN A 64 1.371 0.970 13.554 1.00 0.00 C ATOM 1028 CG GLN A 64 0.473 1.732 14.516 1.00 0.00 C ATOM 1029 CD GLN A 64 1.077 1.860 15.900 1.00 0.00 C ATOM 1030 OE1 GLN A 64 2.034 2.606 16.107 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.520 1.128 16.859 1.00 0.00 N ATOM 0 H GLN A 64 -0.617 -0.137 12.569 1.00 0.00 H new ATOM 0 HA GLN A 64 0.863 2.202 11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.344 -0.090 13.807 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.400 1.304 13.689 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.279 2.727 14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.489 1.224 14.589 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.272 0.523 16.644 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.885 1.171 17.811 1.00 0.00 H new ATOM 1040 N ARG A 65 1.844 -0.597 10.626 1.00 0.00 N ATOM 1041 CA ARG A 65 2.815 -1.232 9.740 1.00 0.00 C ATOM 1042 C ARG A 65 2.763 -0.622 8.338 1.00 0.00 C ATOM 1043 O ARG A 65 3.723 -0.722 7.571 1.00 0.00 O ATOM 1044 CB ARG A 65 2.556 -2.740 9.666 1.00 0.00 C ATOM 1045 CG ARG A 65 3.432 -3.463 8.658 1.00 0.00 C ATOM 1046 CD ARG A 65 3.081 -4.941 8.574 1.00 0.00 C ATOM 1047 NE ARG A 65 3.194 -5.605 9.870 1.00 0.00 N ATOM 1048 CZ ARG A 65 3.885 -6.724 10.067 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.522 -7.302 9.056 1.00 0.00 N ATOM 1050 NH2 ARG A 65 3.940 -7.266 11.276 1.00 0.00 N ATOM 0 H ARG A 65 0.988 -1.133 10.767 1.00 0.00 H new ATOM 0 HA ARG A 65 3.810 -1.059 10.150 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.717 -3.176 10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.510 -2.908 9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.315 -3.004 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.479 -3.352 8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.064 -5.051 8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.741 -5.430 7.857 1.00 0.00 H new ATOM 0 HE ARG A 65 2.716 -5.187 10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.482 -6.888 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.051 -8.160 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.452 -6.825 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.470 -8.124 11.426 1.00 0.00 H new ATOM 1064 N PHE A 66 1.645 0.025 8.013 1.00 0.00 N ATOM 1065 CA PHE A 66 1.480 0.640 6.699 1.00 0.00 C ATOM 1066 C PHE A 66 2.032 2.061 6.692 1.00 0.00 C ATOM 1067 O PHE A 66 2.763 2.443 5.780 1.00 0.00 O ATOM 1068 CB PHE A 66 0.017 0.636 6.268 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.167 0.158 4.858 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.284 0.923 3.795 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.772 -1.058 4.595 1.00 0.00 C ATOM 1072 CE1 PHE A 66 0.132 0.483 2.495 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.925 -1.504 3.297 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.474 -0.732 2.246 1.00 0.00 C ATOM 0 H PHE A 66 0.846 0.136 8.637 1.00 0.00 H new ATOM 0 HA PHE A 66 2.046 0.045 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.555 -0.002 6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.389 1.643 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.760 1.874 3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.129 -1.665 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.487 1.089 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.397 -2.456 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.595 -1.078 1.230 1.00 0.00 H new ATOM 1084 N ASN A 67 1.676 2.841 7.710 1.00 0.00 N ATOM 1085 CA ASN A 67 2.174 4.209 7.826 1.00 0.00 C ATOM 1086 C ASN A 67 3.672 4.148 8.086 1.00 0.00 C ATOM 1087 O ASN A 67 4.404 5.118 7.886 1.00 0.00 O ATOM 1088 CB ASN A 67 1.464 4.967 8.955 1.00 0.00 C ATOM 1089 CG ASN A 67 1.009 4.063 10.065 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.482 2.944 10.180 1.00 0.00 O ATOM 1091 ND2 ASN A 67 0.098 4.553 10.897 1.00 0.00 N ATOM 0 H ASN A 67 1.049 2.552 8.461 1.00 0.00 H new ATOM 0 HA ASN A 67 1.972 4.749 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.138 5.722 9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.603 5.495 8.546 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.238 3.987 11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.266 5.496 10.757 1.00 0.00 H new ATOM 1098 N ASN A 68 4.100 2.972 8.532 1.00 0.00 N ATOM 1099 CA ASN A 68 5.507 2.723 8.804 1.00 0.00 C ATOM 1100 C ASN A 68 6.263 2.679 7.483 1.00 0.00 C ATOM 1101 O ASN A 68 7.205 3.442 7.262 1.00 0.00 O ATOM 1102 CB ASN A 68 5.688 1.405 9.560 1.00 0.00 C ATOM 1103 CG ASN A 68 7.144 1.000 9.679 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.722 0.434 8.751 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.746 1.288 10.827 1.00 0.00 N ATOM 0 H ASN A 68 3.489 2.175 8.713 1.00 0.00 H new ATOM 0 HA ASN A 68 5.900 3.525 9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.258 1.500 10.557 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.136 0.617 9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.725 1.039 10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.229 1.758 11.570 1.00 0.00 H new ATOM 1112 N PHE A 69 5.835 1.773 6.609 1.00 0.00 N ATOM 1113 CA PHE A 69 6.443 1.633 5.291 1.00 0.00 C ATOM 1114 C PHE A 69 6.091 2.823 4.400 1.00 0.00 C ATOM 1115 O PHE A 69 6.825 3.146 3.465 1.00 0.00 O ATOM 1116 CB PHE A 69 5.982 0.333 4.630 1.00 0.00 C ATOM 1117 CG PHE A 69 6.984 -0.239 3.668 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.959 -1.121 4.106 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.951 0.105 2.326 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.883 -1.649 3.224 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.872 -0.419 1.440 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.839 -1.297 1.888 1.00 0.00 C ATOM 0 H PHE A 69 5.069 1.125 6.790 1.00 0.00 H new ATOM 0 HA PHE A 69 7.525 1.604 5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.772 -0.404 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.046 0.515 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.997 -1.399 5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.197 0.790 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.638 -2.335 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.836 -0.142 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.559 -1.708 1.196 1.00 0.00 H new ATOM 1132 N LEU A 70 4.963 3.467 4.692 1.00 0.00 N ATOM 1133 CA LEU A 70 4.517 4.624 3.918 1.00 0.00 C ATOM 1134 C LEU A 70 5.454 5.808 4.133 1.00 0.00 C ATOM 1135 O LEU A 70 5.873 6.459 3.175 1.00 0.00 O ATOM 1136 CB LEU A 70 3.082 5.016 4.296 1.00 0.00 C ATOM 1137 CG LEU A 70 1.977 4.399 3.427 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.610 4.936 3.832 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.232 4.672 1.950 1.00 0.00 C ATOM 0 H LEU A 70 4.341 3.208 5.458 1.00 0.00 H new ATOM 0 HA LEU A 70 4.535 4.348 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.907 4.729 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.996 6.101 4.246 1.00 0.00 H new ATOM 0 HG LEU A 70 1.989 3.321 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.159 4.486 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.416 4.688 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.593 6.019 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.436 4.225 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.254 5.748 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.189 4.239 1.660 1.00 0.00 H new ATOM 1151 N LYS A 71 5.768 6.094 5.393 1.00 0.00 N ATOM 1152 CA LYS A 71 6.667 7.194 5.725 1.00 0.00 C ATOM 1153 C LYS A 71 8.020 7.008 5.049 1.00 0.00 C ATOM 1154 O LYS A 71 8.658 7.978 4.632 1.00 0.00 O ATOM 1155 CB LYS A 71 6.856 7.289 7.241 1.00 0.00 C ATOM 1156 CG LYS A 71 5.664 7.881 7.973 1.00 0.00 C ATOM 1157 CD LYS A 71 5.759 7.650 9.471 1.00 0.00 C ATOM 1158 CE LYS A 71 4.808 8.555 10.237 1.00 0.00 C ATOM 1159 NZ LYS A 71 3.706 7.786 10.878 1.00 0.00 N ATOM 0 H LYS A 71 5.414 5.580 6.200 1.00 0.00 H new ATOM 0 HA LYS A 71 6.218 8.119 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.054 6.293 7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.737 7.896 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.607 8.951 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.745 7.436 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.530 6.608 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.781 7.830 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.362 9.101 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.386 9.296 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.266 8.364 11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.992 7.541 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.089 6.915 11.298 1.00 0.00 H new ATOM 1173 N ALA A 72 8.451 5.755 4.943 1.00 0.00 N ATOM 1174 CA ALA A 72 9.732 5.436 4.320 1.00 0.00 C ATOM 1175 C ALA A 72 9.629 5.481 2.799 1.00 0.00 C ATOM 1176 O ALA A 72 10.518 5.999 2.119 1.00 0.00 O ATOM 1177 CB ALA A 72 10.213 4.068 4.778 1.00 0.00 C ATOM 0 H ALA A 72 7.933 4.944 5.280 1.00 0.00 H new ATOM 0 HA ALA A 72 10.458 6.188 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.169 3.842 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.334 4.069 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.481 3.311 4.495 1.00 0.00 H new ATOM 1183 N LEU A 73 8.538 4.937 2.274 1.00 0.00 N ATOM 1184 CA LEU A 73 8.308 4.908 0.836 1.00 0.00 C ATOM 1185 C LEU A 73 8.194 6.323 0.280 1.00 0.00 C ATOM 1186 O LEU A 73 8.794 6.650 -0.740 1.00 0.00 O ATOM 1187 CB LEU A 73 7.035 4.116 0.523 1.00 0.00 C ATOM 1188 CG LEU A 73 6.491 4.280 -0.899 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.279 3.419 -1.875 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.013 3.925 -0.946 1.00 0.00 C ATOM 0 H LEU A 73 7.795 4.508 2.826 1.00 0.00 H new ATOM 0 HA LEU A 73 9.158 4.418 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.233 3.059 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.259 4.416 1.227 1.00 0.00 H new ATOM 0 HG LEU A 73 6.605 5.323 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.878 3.549 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.327 3.719 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.197 2.372 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.642 4.047 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.877 2.890 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.459 4.583 -0.277 1.00 0.00 H new ATOM 1202 N GLN A 74 7.420 7.157 0.965 1.00 0.00 N ATOM 1203 CA GLN A 74 7.220 8.538 0.544 1.00 0.00 C ATOM 1204 C GLN A 74 8.546 9.283 0.454 1.00 0.00 C ATOM 1205 O GLN A 74 8.870 9.870 -0.579 1.00 0.00 O ATOM 1206 CB GLN A 74 6.286 9.256 1.519 1.00 0.00 C ATOM 1207 CG GLN A 74 5.585 10.462 0.916 1.00 0.00 C ATOM 1208 CD GLN A 74 6.202 11.776 1.354 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.378 12.690 0.549 1.00 0.00 O ATOM 1210 NE2 GLN A 74 6.531 11.878 2.637 1.00 0.00 N ATOM 0 H GLN A 74 6.920 6.900 1.816 1.00 0.00 H new ATOM 0 HA GLN A 74 6.767 8.525 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.535 8.551 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.860 9.577 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.622 10.393 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.533 10.446 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.367 11.095 3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.947 12.740 2.990 1.00 0.00 H new ATOM 1219 N GLU A 75 9.311 9.253 1.541 1.00 0.00 N ATOM 1220 CA GLU A 75 10.601 9.937 1.588 1.00 0.00 C ATOM 1221 C GLU A 75 11.577 9.352 0.572 1.00 0.00 C ATOM 1222 O GLU A 75 12.414 10.067 0.018 1.00 0.00 O ATOM 1223 CB GLU A 75 11.197 9.847 2.994 1.00 0.00 C ATOM 1224 CG GLU A 75 10.633 10.874 3.962 1.00 0.00 C ATOM 1225 CD GLU A 75 11.682 11.857 4.445 1.00 0.00 C ATOM 1226 OE1 GLU A 75 12.572 11.443 5.215 1.00 0.00 O ATOM 1227 OE2 GLU A 75 11.612 13.041 4.052 1.00 0.00 O ATOM 0 H GLU A 75 9.061 8.763 2.400 1.00 0.00 H new ATOM 0 HA GLU A 75 10.433 10.984 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.018 8.848 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.278 9.975 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.825 11.420 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.200 10.360 4.820 1.00 0.00 H new ATOM 1234 N LYS A 76 11.464 8.050 0.333 1.00 0.00 N ATOM 1235 CA LYS A 76 12.342 7.366 -0.610 1.00 0.00 C ATOM 1236 C LYS A 76 12.050 7.788 -2.046 1.00 0.00 C ATOM 1237 O LYS A 76 12.936 8.279 -2.751 1.00 0.00 O ATOM 1238 CB LYS A 76 12.186 5.849 -0.474 1.00 0.00 C ATOM 1239 CG LYS A 76 13.178 5.218 0.488 1.00 0.00 C ATOM 1240 CD LYS A 76 13.237 3.709 0.316 1.00 0.00 C ATOM 1241 CE LYS A 76 14.156 3.066 1.342 1.00 0.00 C ATOM 1242 NZ LYS A 76 15.588 3.167 0.945 1.00 0.00 N ATOM 0 H LYS A 76 10.773 7.447 0.779 1.00 0.00 H new ATOM 0 HA LYS A 76 13.368 7.647 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.174 5.625 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.304 5.391 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.168 5.643 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.895 5.458 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.235 3.292 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.587 3.470 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.013 3.547 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.886 2.017 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.182 2.717 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.730 2.686 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.853 4.168 0.853 1.00 0.00 H new ATOM 1256 N VAL A 77 10.806 7.601 -2.475 1.00 0.00 N ATOM 1257 CA VAL A 77 10.412 7.953 -3.835 1.00 0.00 C ATOM 1258 C VAL A 77 10.467 9.461 -4.051 1.00 0.00 C ATOM 1259 O VAL A 77 10.680 9.928 -5.171 1.00 0.00 O ATOM 1260 CB VAL A 77 9.001 7.429 -4.185 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.768 6.058 -3.570 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.923 8.405 -3.740 1.00 0.00 C ATOM 0 H VAL A 77 10.057 7.210 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 77 11.128 7.471 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 77 8.941 7.336 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.769 5.708 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.509 5.356 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.859 6.125 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.942 8.007 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.983 8.546 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.071 9.363 -4.239 1.00 0.00 H new ATOM 1272 N GLU A 78 10.272 10.221 -2.975 1.00 0.00 N ATOM 1273 CA GLU A 78 10.315 11.675 -3.058 1.00 0.00 C ATOM 1274 C GLU A 78 11.661 12.125 -3.604 1.00 0.00 C ATOM 1275 O GLU A 78 11.730 12.890 -4.565 1.00 0.00 O ATOM 1276 CB GLU A 78 10.078 12.303 -1.683 1.00 0.00 C ATOM 1277 CG GLU A 78 8.697 12.918 -1.527 1.00 0.00 C ATOM 1278 CD GLU A 78 8.700 14.133 -0.620 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.112 13.998 0.551 1.00 0.00 O ATOM 1280 OE2 GLU A 78 8.290 15.219 -1.080 1.00 0.00 O ATOM 0 H GLU A 78 10.084 9.855 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 78 9.524 12.004 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.217 11.541 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.831 13.072 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.317 13.202 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.013 12.170 -1.125 1.00 0.00 H new ATOM 1287 N ILE A 79 12.732 11.643 -2.979 1.00 0.00 N ATOM 1288 CA ILE A 79 14.081 11.988 -3.411 1.00 0.00 C ATOM 1289 C ILE A 79 14.327 11.521 -4.843 1.00 0.00 C ATOM 1290 O ILE A 79 14.206 12.300 -5.790 1.00 0.00 O ATOM 1291 CB ILE A 79 15.148 11.372 -2.482 1.00 0.00 C ATOM 1292 CG1 ILE A 79 14.907 11.804 -1.032 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.546 11.768 -2.936 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.010 13.299 -0.812 1.00 0.00 C ATOM 0 H ILE A 79 12.691 11.016 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 79 14.165 13.074 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 79 15.068 10.286 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.917 11.469 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.629 11.301 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.285 11.324 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.714 11.410 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.642 12.854 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.827 13.526 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.008 13.640 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.269 13.809 -1.428 1.00 0.00 H new ATOM 1306 N LYS A 80 14.672 10.246 -4.996 1.00 0.00 N ATOM 1307 CA LYS A 80 14.928 9.675 -6.314 1.00 0.00 C ATOM 1308 C LYS A 80 14.637 8.178 -6.321 1.00 0.00 C ATOM 1309 O LYS A 80 15.414 7.383 -5.793 1.00 0.00 O ATOM 1310 CB LYS A 80 16.379 9.926 -6.729 1.00 0.00 C ATOM 1311 CG LYS A 80 16.655 9.622 -8.192 1.00 0.00 C ATOM 1312 CD LYS A 80 17.898 10.343 -8.687 1.00 0.00 C ATOM 1313 CE LYS A 80 17.763 10.751 -10.145 1.00 0.00 C ATOM 1314 NZ LYS A 80 17.443 9.589 -11.019 1.00 0.00 N ATOM 0 H LYS A 80 14.781 9.589 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 80 14.264 10.161 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.630 10.968 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.036 9.315 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.780 8.547 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.797 9.919 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.074 11.228 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.767 9.695 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.980 11.504 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.692 11.213 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.542 9.867 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.097 8.808 -10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.466 9.280 -10.841 1.00 0.00 H new ATOM 1328 N GLN A 81 13.514 7.799 -6.929 1.00 0.00 N ATOM 1329 CA GLN A 81 13.115 6.398 -7.007 1.00 0.00 C ATOM 1330 C GLN A 81 11.879 6.243 -7.888 1.00 0.00 C ATOM 1331 O GLN A 81 11.971 5.800 -9.033 1.00 0.00 O ATOM 1332 CB GLN A 81 12.833 5.844 -5.609 1.00 0.00 C ATOM 1333 CG GLN A 81 13.844 4.806 -5.152 1.00 0.00 C ATOM 1334 CD GLN A 81 13.541 4.266 -3.768 1.00 0.00 C ATOM 1335 OE1 GLN A 81 14.366 4.357 -2.860 1.00 0.00 O ATOM 1336 NE2 GLN A 81 12.352 3.700 -3.601 1.00 0.00 N ATOM 0 H GLN A 81 12.864 8.446 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 81 13.935 5.833 -7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.823 6.668 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.838 5.400 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.859 3.981 -5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.840 5.249 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.699 3.646 -4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.092 3.319 -2.691 1.00 0.00 H new ATOM 1345 N LEU A 82 10.723 6.611 -7.344 1.00 0.00 N ATOM 1346 CA LEU A 82 9.465 6.522 -8.080 1.00 0.00 C ATOM 1347 C LEU A 82 8.469 7.565 -7.584 1.00 0.00 C ATOM 1348 O LEU A 82 7.464 7.231 -6.957 1.00 0.00 O ATOM 1349 CB LEU A 82 8.864 5.120 -7.953 1.00 0.00 C ATOM 1350 CG LEU A 82 9.193 4.380 -6.656 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.971 3.629 -6.148 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.354 3.423 -6.872 1.00 0.00 C ATOM 0 H LEU A 82 10.631 6.974 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 82 9.677 6.719 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.780 5.198 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.210 4.517 -8.793 1.00 0.00 H new ATOM 0 HG LEU A 82 9.485 5.113 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.222 3.108 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.163 4.335 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.651 2.905 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.576 2.904 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.088 2.695 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.232 3.983 -7.193 1.00 0.00 H new ATOM 1364 N ASN A 83 8.755 8.831 -7.872 1.00 0.00 N ATOM 1365 CA ASN A 83 7.886 9.925 -7.457 1.00 0.00 C ATOM 1366 C ASN A 83 6.551 9.860 -8.193 1.00 0.00 C ATOM 1367 O ASN A 83 5.562 10.456 -7.765 1.00 0.00 O ATOM 1368 CB ASN A 83 8.569 11.270 -7.718 1.00 0.00 C ATOM 1369 CG ASN A 83 7.612 12.441 -7.612 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.054 12.707 -6.547 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.418 13.150 -8.718 1.00 0.00 N ATOM 0 H ASN A 83 9.582 9.124 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 83 7.695 9.828 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.382 11.405 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.016 11.259 -8.712 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.786 13.950 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.901 12.894 -9.579 1.00 0.00 H new ATOM 1378 N HIS A 84 6.532 9.127 -9.301 1.00 0.00 N ATOM 1379 CA HIS A 84 5.320 8.977 -10.098 1.00 0.00 C ATOM 1380 C HIS A 84 4.257 8.208 -9.320 1.00 0.00 C ATOM 1381 O HIS A 84 3.072 8.539 -9.376 1.00 0.00 O ATOM 1382 CB HIS A 84 5.628 8.256 -11.414 1.00 0.00 C ATOM 1383 CG HIS A 84 7.027 8.468 -11.907 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.102 7.732 -11.457 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.524 9.340 -12.816 1.00 0.00 C ATOM 1386 CE1 HIS A 84 9.200 8.142 -12.067 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.876 9.116 -12.897 1.00 0.00 N ATOM 0 H HIS A 84 7.342 8.627 -9.668 1.00 0.00 H new ATOM 0 HA HIS A 84 4.937 9.972 -10.323 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.458 7.188 -11.281 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.928 8.597 -12.177 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.962 10.075 -13.373 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.193 7.747 -11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.525 9.621 -13.501 1.00 0.00 H new ATOM 1396 N PHE A 85 4.690 7.182 -8.593 1.00 0.00 N ATOM 1397 CA PHE A 85 3.777 6.367 -7.801 1.00 0.00 C ATOM 1398 C PHE A 85 3.059 7.217 -6.761 1.00 0.00 C ATOM 1399 O PHE A 85 1.933 6.912 -6.366 1.00 0.00 O ATOM 1400 CB PHE A 85 4.535 5.230 -7.112 1.00 0.00 C ATOM 1401 CG PHE A 85 3.646 4.110 -6.648 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.118 3.208 -7.557 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.339 3.960 -5.304 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.300 2.178 -7.136 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.520 2.930 -4.876 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.001 2.038 -5.794 1.00 0.00 C ATOM 0 H PHE A 85 5.667 6.896 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 85 3.034 5.940 -8.475 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.279 4.831 -7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.076 5.632 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.349 3.311 -8.607 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.744 4.655 -4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.894 1.482 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.287 2.824 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.362 1.232 -5.464 1.00 0.00 H new ATOM 1416 N TRP A 86 3.715 8.287 -6.322 1.00 0.00 N ATOM 1417 CA TRP A 86 3.137 9.179 -5.329 1.00 0.00 C ATOM 1418 C TRP A 86 2.118 10.114 -5.970 1.00 0.00 C ATOM 1419 O TRP A 86 1.011 10.284 -5.458 1.00 0.00 O ATOM 1420 CB TRP A 86 4.232 9.989 -4.636 1.00 0.00 C ATOM 1421 CG TRP A 86 3.730 10.758 -3.456 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.664 12.114 -3.332 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.219 10.216 -2.235 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.142 12.451 -2.106 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.862 11.301 -1.414 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.031 8.917 -1.756 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.324 11.126 -0.141 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.498 8.743 -0.493 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.149 9.842 0.302 1.00 0.00 C ATOM 0 H TRP A 86 4.646 8.555 -6.640 1.00 0.00 H new ATOM 0 HA TRP A 86 2.626 8.570 -4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.026 9.315 -4.313 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.674 10.681 -5.353 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.976 12.820 -4.087 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.988 13.401 -1.767 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.298 8.064 -2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.055 11.972 0.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.348 7.743 -0.113 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.733 9.673 1.284 1.00 0.00 H new ATOM 1440 N GLU A 87 2.495 10.717 -7.096 1.00 0.00 N ATOM 1441 CA GLU A 87 1.604 11.627 -7.808 1.00 0.00 C ATOM 1442 C GLU A 87 0.366 10.879 -8.285 1.00 0.00 C ATOM 1443 O GLU A 87 -0.682 11.475 -8.537 1.00 0.00 O ATOM 1444 CB GLU A 87 2.325 12.262 -8.998 1.00 0.00 C ATOM 1445 CG GLU A 87 3.129 13.500 -8.633 1.00 0.00 C ATOM 1446 CD GLU A 87 3.842 14.105 -9.826 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.778 13.461 -10.347 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.465 15.221 -10.240 1.00 0.00 O ATOM 0 H GLU A 87 3.408 10.592 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 87 1.299 12.420 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.992 11.524 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.590 12.527 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.464 14.245 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.862 13.240 -7.870 1.00 0.00 H new ATOM 1455 N ILE A 88 0.503 9.563 -8.405 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.601 8.716 -8.833 1.00 0.00 C ATOM 1457 C ILE A 88 -1.460 8.340 -7.632 1.00 0.00 C ATOM 1458 O ILE A 88 -2.653 8.638 -7.589 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.106 7.435 -9.532 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.590 7.783 -10.849 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.266 6.480 -9.780 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.511 6.692 -11.354 1.00 0.00 C ATOM 0 H ILE A 88 1.369 9.061 -8.211 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.191 9.284 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 88 0.613 6.941 -8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.166 7.988 -11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.165 8.699 -10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.898 5.581 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.724 6.209 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.007 6.965 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.970 7.008 -12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.289 6.502 -10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.938 5.780 -11.520 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.837 7.674 -6.664 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.522 7.259 -5.443 1.00 0.00 C ATOM 1476 C VAL A 89 -2.337 8.404 -4.841 1.00 0.00 C ATOM 1477 O VAL A 89 -3.406 8.180 -4.273 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.517 6.735 -4.393 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.123 6.748 -2.996 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.048 5.336 -4.760 1.00 0.00 C ATOM 0 H VAL A 89 0.147 7.409 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.203 6.454 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 89 0.345 7.402 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.392 6.374 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.403 7.767 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.008 6.112 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.659 4.981 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.905 4.663 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.438 5.359 -5.735 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.841 9.630 -4.982 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.538 10.792 -4.439 1.00 0.00 C ATOM 1492 C VAL A 90 -3.725 11.171 -5.322 1.00 0.00 C ATOM 1493 O VAL A 90 -4.835 11.376 -4.831 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.592 12.005 -4.280 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.084 12.490 -5.629 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.292 13.131 -3.532 1.00 0.00 C ATOM 0 H VAL A 90 -0.967 9.844 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.902 10.516 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.729 11.684 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.422 13.343 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.537 11.686 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.929 12.788 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.612 13.977 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.177 13.442 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.589 12.781 -2.543 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.477 11.272 -6.625 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.523 11.611 -7.583 1.00 0.00 C ATOM 1508 C GLN A 91 -5.688 10.629 -7.491 1.00 0.00 C ATOM 1509 O GLN A 91 -6.851 11.021 -7.589 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.959 11.619 -9.004 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.742 12.497 -9.965 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.286 12.341 -11.403 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -4.754 11.459 -12.123 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.364 13.199 -11.828 1.00 0.00 N ATOM 0 H GLN A 91 -2.558 11.123 -7.042 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.893 12.607 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.925 11.961 -8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.946 10.598 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.801 12.250 -9.895 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -4.637 13.540 -9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.004 13.915 -11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.017 13.142 -12.785 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.368 9.351 -7.303 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.386 8.310 -7.200 1.00 0.00 C ATOM 1525 C ASP A 92 -7.238 8.484 -5.944 1.00 0.00 C ATOM 1526 O ASP A 92 -8.176 7.722 -5.712 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.727 6.930 -7.191 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.325 6.472 -8.578 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.402 7.079 -9.160 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -5.933 5.504 -9.085 1.00 0.00 O ATOM 0 H ASP A 92 -4.410 9.012 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.040 8.396 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.846 6.956 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.415 6.205 -6.757 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.907 9.489 -5.140 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.653 9.741 -3.922 1.00 0.00 C ATOM 1537 C GLY A 93 -7.354 8.731 -2.832 1.00 0.00 C ATOM 1538 O GLY A 93 -8.268 8.206 -2.196 1.00 0.00 O ATOM 0 H GLY A 93 -6.135 10.133 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.419 10.742 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.720 9.724 -4.144 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.071 8.455 -2.616 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.658 7.504 -1.589 1.00 0.00 C ATOM 1544 C ILE A 94 -5.072 8.228 -0.382 1.00 0.00 C ATOM 1545 O ILE A 94 -4.214 9.100 -0.522 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.626 6.495 -2.129 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.150 5.832 -3.406 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.307 5.448 -1.072 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.118 4.980 -4.114 1.00 0.00 C ATOM 0 H ILE A 94 -5.301 8.875 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.551 6.958 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.707 7.029 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.011 5.212 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.501 6.605 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.577 4.742 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.897 5.937 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.218 4.914 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.560 4.542 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.266 5.599 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.784 4.184 -3.448 1.00 0.00 H new ATOM 1561 N THR A 95 -5.544 7.858 0.803 1.00 0.00 N ATOM 1562 CA THR A 95 -5.083 8.473 2.043 1.00 0.00 C ATOM 1563 C THR A 95 -4.046 7.611 2.747 1.00 0.00 C ATOM 1564 O THR A 95 -3.509 6.666 2.168 1.00 0.00 O ATOM 1565 CB THR A 95 -6.255 8.745 3.005 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.692 7.520 3.605 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.417 9.400 2.273 1.00 0.00 C ATOM 0 H THR A 95 -6.249 7.132 0.932 1.00 0.00 H new ATOM 0 HA THR A 95 -4.622 9.421 1.766 1.00 0.00 H new ATOM 0 HB THR A 95 -5.907 9.425 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.436 7.702 4.216 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.232 9.582 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.089 10.347 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.763 8.741 1.477 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.769 7.945 4.003 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.787 7.213 4.786 1.00 0.00 C ATOM 1577 C LEU A 96 -3.491 6.261 5.753 1.00 0.00 C ATOM 1578 O LEU A 96 -4.435 5.571 5.368 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.868 8.185 5.538 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.395 7.767 5.574 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.316 8.204 4.305 1.00 0.00 C ATOM 1582 CD2 LEU A 96 0.302 8.346 6.794 1.00 0.00 C ATOM 0 H LEU A 96 -4.212 8.719 4.498 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.168 6.620 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.942 9.168 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.229 8.288 6.561 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.355 6.680 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.361 7.898 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.161 7.740 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.259 9.288 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.347 8.035 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.247 9.434 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.187 7.984 7.698 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.037 6.218 7.003 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.636 5.339 7.995 1.00 0.00 C ATOM 1596 C ILE A 97 -4.253 6.130 9.152 1.00 0.00 C ATOM 1597 O ILE A 97 -3.553 6.830 9.885 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.584 4.341 8.534 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.746 2.980 7.847 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -2.683 4.199 10.048 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.488 3.016 6.351 1.00 0.00 C ATOM 0 H ILE A 97 -2.259 6.780 7.349 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.437 4.786 7.504 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.593 4.732 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.062 2.267 8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.757 2.612 8.024 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.931 3.491 10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.514 5.169 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.675 3.835 10.315 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.622 2.018 5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.189 3.703 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.468 3.353 6.166 1.00 0.00 H new ATOM 1613 N THR A 98 -5.574 6.044 9.291 1.00 0.00 N ATOM 1614 CA THR A 98 -6.275 6.727 10.374 1.00 0.00 C ATOM 1615 C THR A 98 -6.664 5.746 11.478 1.00 0.00 C ATOM 1616 O THR A 98 -7.192 4.669 11.206 1.00 0.00 O ATOM 1617 CB THR A 98 -7.542 7.440 9.865 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.957 6.870 8.618 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.289 8.929 9.688 1.00 0.00 C ATOM 0 H THR A 98 -6.179 5.509 8.668 1.00 0.00 H new ATOM 0 HA THR A 98 -5.588 7.472 10.776 1.00 0.00 H new ATOM 0 HB THR A 98 -8.331 7.306 10.605 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.764 7.327 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.197 9.412 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.001 9.365 10.644 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.487 9.078 8.965 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.389 6.125 12.724 1.00 0.00 N ATOM 1628 CA LYS A 99 -6.703 5.288 13.879 1.00 0.00 C ATOM 1629 C LYS A 99 -8.178 4.895 13.907 1.00 0.00 C ATOM 1630 O LYS A 99 -8.527 3.807 14.362 1.00 0.00 O ATOM 1631 CB LYS A 99 -6.337 6.017 15.172 1.00 0.00 C ATOM 1632 CG LYS A 99 -4.984 5.616 15.738 1.00 0.00 C ATOM 1633 CD LYS A 99 -4.517 6.584 16.813 1.00 0.00 C ATOM 1634 CE LYS A 99 -5.423 6.544 18.033 1.00 0.00 C ATOM 1635 NZ LYS A 99 -4.942 7.448 19.114 1.00 0.00 N ATOM 0 H LYS A 99 -5.946 7.013 12.960 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.113 4.375 13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.339 7.091 14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.106 5.821 15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.047 4.611 16.155 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.249 5.582 14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.497 6.337 17.108 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.495 7.596 16.408 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.434 6.831 17.744 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.477 5.523 18.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.588 7.391 19.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.987 7.159 19.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.915 8.426 18.762 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.041 5.785 13.431 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.475 5.517 13.411 1.00 0.00 C ATOM 1651 C GLU A 100 -10.778 4.268 12.592 1.00 0.00 C ATOM 1652 O GLU A 100 -11.796 3.606 12.801 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.232 6.719 12.841 1.00 0.00 C ATOM 1654 CG GLU A 100 -12.742 6.544 12.835 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.460 7.716 12.196 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.398 8.829 12.759 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.086 7.520 11.133 1.00 0.00 O ATOM 0 H GLU A 100 -8.775 6.695 13.055 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.806 5.346 14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.980 7.605 13.424 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.892 6.901 11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.996 5.630 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.094 6.421 13.859 1.00 0.00 H new ATOM 1664 N GLU A 101 -9.887 3.952 11.660 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.054 2.784 10.807 1.00 0.00 C ATOM 1666 C GLU A 101 -9.745 1.495 11.564 1.00 0.00 C ATOM 1667 O GLU A 101 -10.192 0.417 11.176 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.151 2.894 9.577 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.511 4.052 8.660 1.00 0.00 C ATOM 1670 CD GLU A 101 -8.628 4.117 7.429 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -7.394 4.221 7.588 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.171 4.065 6.305 1.00 0.00 O ATOM 0 H GLU A 101 -9.040 4.490 11.476 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.096 2.750 10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.118 3.008 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.206 1.963 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.552 3.956 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.427 4.988 9.213 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.984 1.613 12.650 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.612 0.447 13.448 1.00 0.00 C ATOM 1681 C ALA A 102 -8.720 0.724 14.946 1.00 0.00 C ATOM 1682 O ALA A 102 -9.591 0.178 15.623 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.200 0.002 13.099 1.00 0.00 C ATOM 0 H ALA A 102 -8.615 2.499 12.996 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.314 -0.352 13.209 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.934 -0.868 13.700 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.152 -0.259 12.042 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.502 0.813 13.305 1.00 0.00 H new ATOM 1689 N SER A 103 -7.828 1.570 15.454 1.00 0.00 N ATOM 1690 CA SER A 103 -7.810 1.913 16.874 1.00 0.00 C ATOM 1691 C SER A 103 -9.180 2.386 17.356 1.00 0.00 C ATOM 1692 O SER A 103 -10.001 1.581 17.797 1.00 0.00 O ATOM 1693 CB SER A 103 -6.760 2.991 17.147 1.00 0.00 C ATOM 1694 OG SER A 103 -5.540 2.418 17.580 1.00 0.00 O ATOM 0 H SER A 103 -7.106 2.032 14.902 1.00 0.00 H new ATOM 0 HA SER A 103 -7.552 1.010 17.427 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.590 3.575 16.242 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.131 3.680 17.906 1.00 0.00 H new ATOM 0 HG SER A 103 -4.886 3.128 17.746 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.423 3.693 17.275 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.696 4.231 17.716 1.00 0.00 C ATOM 1702 C GLY A 104 -10.845 5.716 17.438 1.00 0.00 C ATOM 1703 O GLY A 104 -11.777 6.129 16.746 1.00 0.00 O ATOM 0 H GLY A 104 -8.765 4.383 16.914 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.503 3.692 17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.807 4.055 18.786 1.00 0.00 H new ATOM 1707 N SER A 105 -9.932 6.522 17.974 1.00 0.00 N ATOM 1708 CA SER A 105 -9.978 7.969 17.786 1.00 0.00 C ATOM 1709 C SER A 105 -9.745 8.352 16.329 1.00 0.00 C ATOM 1710 O SER A 105 -10.002 7.564 15.422 1.00 0.00 O ATOM 1711 CB SER A 105 -8.941 8.649 18.682 1.00 0.00 C ATOM 1712 OG SER A 105 -7.663 8.660 18.068 1.00 0.00 O ATOM 0 H SER A 105 -9.150 6.197 18.543 1.00 0.00 H new ATOM 0 HA SER A 105 -10.975 8.311 18.065 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.254 9.671 18.895 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.884 8.128 19.638 1.00 0.00 H new ATOM 0 HG SER A 105 -7.019 9.102 18.660 1.00 0.00 H new ATOM 1718 N SER A 106 -9.250 9.566 16.112 1.00 0.00 N ATOM 1719 CA SER A 106 -8.996 10.055 14.763 1.00 0.00 C ATOM 1720 C SER A 106 -7.545 10.491 14.603 1.00 0.00 C ATOM 1721 O SER A 106 -7.209 11.647 14.861 1.00 0.00 O ATOM 1722 CB SER A 106 -9.932 11.220 14.436 1.00 0.00 C ATOM 1723 OG SER A 106 -9.846 11.575 13.067 1.00 0.00 O ATOM 0 H SER A 106 -9.017 10.228 16.852 1.00 0.00 H new ATOM 0 HA SER A 106 -9.187 9.238 14.067 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.958 10.945 14.680 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.677 12.080 15.055 1.00 0.00 H new ATOM 0 HG SER A 106 -10.455 12.321 12.884 1.00 0.00 H new ATOM 1729 N VAL A 107 -6.693 9.546 14.200 1.00 0.00 N ATOM 1730 CA VAL A 107 -5.266 9.803 13.983 1.00 0.00 C ATOM 1731 C VAL A 107 -4.985 11.272 13.666 1.00 0.00 C ATOM 1732 O VAL A 107 -5.662 11.882 12.837 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.714 8.901 12.851 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.929 9.694 11.815 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.857 7.790 13.435 1.00 0.00 C ATOM 0 H VAL A 107 -6.971 8.582 14.015 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.755 9.563 14.915 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.569 8.461 12.337 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.562 9.019 11.042 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.578 10.445 11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.085 10.187 12.297 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.475 7.163 12.629 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.021 8.225 13.983 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.459 7.184 14.112 1.00 0.00 H new ATOM 1745 N THR A 108 -3.979 11.826 14.338 1.00 0.00 N ATOM 1746 CA THR A 108 -3.596 13.221 14.149 1.00 0.00 C ATOM 1747 C THR A 108 -3.472 13.573 12.671 1.00 0.00 C ATOM 1748 O THR A 108 -3.163 12.720 11.840 1.00 0.00 O ATOM 1749 CB THR A 108 -2.263 13.537 14.851 1.00 0.00 C ATOM 1750 OG1 THR A 108 -1.736 12.354 15.463 1.00 0.00 O ATOM 1751 CG2 THR A 108 -2.450 14.619 15.904 1.00 0.00 C ATOM 0 H THR A 108 -3.412 11.326 15.022 1.00 0.00 H new ATOM 0 HA THR A 108 -4.389 13.823 14.593 1.00 0.00 H new ATOM 0 HB THR A 108 -1.560 13.899 14.100 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.887 12.565 15.905 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.495 14.826 16.387 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.821 15.528 15.430 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.168 14.280 16.651 1.00 0.00 H new ATOM 1759 N ALA A 109 -3.716 14.841 12.357 1.00 0.00 N ATOM 1760 CA ALA A 109 -3.636 15.321 10.984 1.00 0.00 C ATOM 1761 C ALA A 109 -2.232 15.140 10.414 1.00 0.00 C ATOM 1762 O ALA A 109 -2.055 14.946 9.221 1.00 0.00 O ATOM 1763 CB ALA A 109 -4.049 16.784 10.922 1.00 0.00 C ATOM 0 H ALA A 109 -3.972 15.556 13.038 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.320 14.729 10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.987 17.136 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.073 16.888 11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.383 17.377 11.549 1.00 0.00 H new ATOM 1769 N GLU A 110 -1.235 15.233 11.272 1.00 0.00 N ATOM 1770 CA GLU A 110 0.147 15.072 10.834 1.00 0.00 C ATOM 1771 C GLU A 110 0.335 13.802 10.000 1.00 0.00 C ATOM 1772 O GLU A 110 1.246 13.723 9.177 1.00 0.00 O ATOM 1773 CB GLU A 110 1.097 15.068 12.034 1.00 0.00 C ATOM 1774 CG GLU A 110 0.854 13.920 13.001 1.00 0.00 C ATOM 1775 CD GLU A 110 2.142 13.309 13.517 1.00 0.00 C ATOM 1776 OE1 GLU A 110 2.681 12.404 12.844 1.00 0.00 O ATOM 1777 OE2 GLU A 110 2.613 13.734 14.593 1.00 0.00 O ATOM 0 H GLU A 110 -1.349 15.417 12.269 1.00 0.00 H new ATOM 0 HA GLU A 110 0.388 15.924 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.124 15.016 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.995 16.011 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.263 14.279 13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.265 13.150 12.504 1.00 0.00 H new ATOM 1784 N GLU A 111 -0.518 12.809 10.221 1.00 0.00 N ATOM 1785 CA GLU A 111 -0.432 11.561 9.475 1.00 0.00 C ATOM 1786 C GLU A 111 -1.272 11.622 8.198 1.00 0.00 C ATOM 1787 O GLU A 111 -0.756 11.469 7.091 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.868 10.379 10.354 1.00 0.00 C ATOM 1789 CG GLU A 111 -1.392 9.192 9.571 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.926 7.865 10.137 1.00 0.00 C ATOM 1791 OE1 GLU A 111 -0.543 7.827 11.326 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -0.944 6.863 9.393 1.00 0.00 O ATOM 0 H GLU A 111 -1.273 12.843 10.906 1.00 0.00 H new ATOM 0 HA GLU A 111 0.608 11.413 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.021 10.057 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.642 10.717 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.482 9.218 9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.067 9.274 8.534 1.00 0.00 H new ATOM 1799 N ALA A 112 -2.566 11.856 8.369 1.00 0.00 N ATOM 1800 CA ALA A 112 -3.497 11.904 7.245 1.00 0.00 C ATOM 1801 C ALA A 112 -3.486 13.234 6.482 1.00 0.00 C ATOM 1802 O ALA A 112 -3.674 13.249 5.265 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.906 11.598 7.730 1.00 0.00 C ATOM 0 H ALA A 112 -2.998 12.016 9.279 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.160 11.146 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.597 11.635 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.930 10.603 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -5.203 12.336 8.475 1.00 0.00 H new ATOM 1809 N LYS A 113 -3.272 14.343 7.181 1.00 0.00 N ATOM 1810 CA LYS A 113 -3.293 15.658 6.537 1.00 0.00 C ATOM 1811 C LYS A 113 -1.933 16.084 5.983 1.00 0.00 C ATOM 1812 O LYS A 113 -1.853 16.620 4.880 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.799 16.718 7.516 1.00 0.00 C ATOM 1814 CG LYS A 113 -5.307 16.698 7.709 1.00 0.00 C ATOM 1815 CD LYS A 113 -5.844 18.083 8.032 1.00 0.00 C ATOM 1816 CE LYS A 113 -7.311 18.032 8.429 1.00 0.00 C ATOM 1817 NZ LYS A 113 -7.674 19.138 9.358 1.00 0.00 N ATOM 0 H LYS A 113 -3.084 14.362 8.183 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.971 15.571 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.316 16.569 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.500 17.703 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.786 16.322 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.563 16.010 8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.261 18.521 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.723 18.733 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.931 18.091 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.526 17.074 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.682 19.068 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.100 19.067 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.494 20.052 8.896 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.869 15.857 6.747 1.00 0.00 N ATOM 1832 CA LYS A 114 0.464 16.259 6.330 1.00 0.00 C ATOM 1833 C LYS A 114 0.960 15.478 5.114 1.00 0.00 C ATOM 1834 O LYS A 114 1.719 16.005 4.301 1.00 0.00 O ATOM 1835 CB LYS A 114 1.424 16.074 7.498 1.00 0.00 C ATOM 1836 CG LYS A 114 2.143 17.343 7.925 1.00 0.00 C ATOM 1837 CD LYS A 114 1.185 18.512 8.096 1.00 0.00 C ATOM 1838 CE LYS A 114 1.821 19.642 8.890 1.00 0.00 C ATOM 1839 NZ LYS A 114 2.420 20.677 8.003 1.00 0.00 N ATOM 0 H LYS A 114 -0.907 15.397 7.657 1.00 0.00 H new ATOM 0 HA LYS A 114 0.421 17.307 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.869 15.681 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.167 15.323 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.667 17.164 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.898 17.599 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.881 18.881 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.282 18.173 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.069 20.104 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.591 19.236 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.843 21.429 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.156 20.242 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.681 21.083 7.395 1.00 0.00 H new ATOM 1853 N PHE A 115 0.536 14.226 4.991 1.00 0.00 N ATOM 1854 CA PHE A 115 0.967 13.387 3.876 1.00 0.00 C ATOM 1855 C PHE A 115 0.271 13.764 2.570 1.00 0.00 C ATOM 1856 O PHE A 115 0.921 13.904 1.534 1.00 0.00 O ATOM 1857 CB PHE A 115 0.717 11.915 4.197 1.00 0.00 C ATOM 1858 CG PHE A 115 1.943 11.203 4.691 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.811 10.595 3.799 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.230 11.147 6.045 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.942 9.942 4.248 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.360 10.494 6.501 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.217 9.892 5.601 1.00 0.00 C ATOM 0 H PHE A 115 -0.102 13.770 5.644 1.00 0.00 H new ATOM 0 HA PHE A 115 2.035 13.553 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.067 11.842 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.348 11.412 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.601 10.632 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.564 11.619 6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.611 9.471 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.572 10.455 7.559 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.101 9.383 5.954 1.00 0.00 H new ATOM 1873 N LEU A 116 -1.047 13.926 2.617 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.813 14.276 1.424 1.00 0.00 C ATOM 1875 C LEU A 116 -1.719 15.769 1.120 1.00 0.00 C ATOM 1876 O LEU A 116 -1.761 16.177 -0.041 1.00 0.00 O ATOM 1877 CB LEU A 116 -3.276 13.867 1.594 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.559 12.381 1.373 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.735 11.667 2.703 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.790 12.196 0.498 1.00 0.00 C ATOM 0 H LEU A 116 -1.606 13.821 3.464 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.385 13.732 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.599 14.138 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.883 14.445 0.897 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.704 11.941 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.936 10.611 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.825 11.769 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.571 12.109 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.976 11.132 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.653 12.652 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.624 12.672 -0.469 1.00 0.00 H new ATOM 1892 N ALA A 117 -1.592 16.577 2.165 1.00 0.00 N ATOM 1893 CA ALA A 117 -1.494 18.024 2.004 1.00 0.00 C ATOM 1894 C ALA A 117 -0.201 18.561 2.618 1.00 0.00 C ATOM 1895 O ALA A 117 0.179 18.162 3.719 1.00 0.00 O ATOM 1896 CB ALA A 117 -2.701 18.706 2.629 1.00 0.00 C ATOM 0 H ALA A 117 -1.554 16.256 3.133 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.477 18.246 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.615 19.785 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.610 18.354 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.743 18.468 3.692 1.00 0.00 H new