USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 17 SER OG : rot -163:sc= 0.857 USER MOD Set 1.2: A 81 THR OG1 : rot -88:sc= 2.06 USER MOD Set 2.1: A 71 HIS : no HE2:sc= -0.977 K(o=0.078,f=-3) USER MOD Set 2.2: B 13 SER OG : rot 88:sc= 1.06 USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= 0.0016 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc=-0.00285 (180deg=-0.153) USER MOD Single : A 14 ASN : amide:sc= 0.0264 K(o=0.026,f=-9!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -51:sc= 1.17 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.45) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -101:sc= 1.26 USER MOD Single : A 32 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.36) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00791) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.06) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.012) USER MOD Single : A 77 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 80 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.22) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 86 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.73) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0.0152 (180deg=-0.0979) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot -70:sc= 1.02 USER MOD Single : A 96 THR OG1 : rot 38:sc= 0.558 USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.0917 (180deg=0.00651) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.739 7.689 -20.493 1.00 0.00 N ATOM 2 CA PRO A 1 -11.035 7.707 -19.185 1.00 0.00 C ATOM 3 C PRO A 1 -12.049 7.867 -18.106 1.00 0.00 C ATOM 4 O PRO A 1 -12.774 8.862 -18.129 1.00 0.00 O ATOM 5 CB PRO A 1 -10.053 8.868 -19.330 1.00 0.00 C ATOM 6 CG PRO A 1 -9.597 8.756 -20.794 1.00 0.00 C ATOM 7 CD PRO A 1 -10.867 8.318 -21.541 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.622 8.195 -20.422 1.00 0.00 H new ATOM 0 H3 PRO A 1 -11.965 6.730 -20.756 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.492 6.800 -18.919 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.530 9.827 -19.128 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.215 8.777 -18.638 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.220 9.707 -21.169 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.794 8.028 -20.908 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.363 9.169 -22.008 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -10.633 7.610 -22.336 1.00 0.00 H new ATOM 17 N LYS A 2 -12.155 6.919 -17.159 1.00 0.00 N ATOM 18 CA LYS A 2 -13.097 6.974 -16.085 1.00 0.00 C ATOM 19 C LYS A 2 -12.502 7.621 -14.882 1.00 0.00 C ATOM 20 O LYS A 2 -11.275 7.629 -14.786 1.00 0.00 O ATOM 21 CB LYS A 2 -13.639 5.569 -15.769 1.00 0.00 C ATOM 22 CG LYS A 2 -12.739 4.625 -14.969 1.00 0.00 C ATOM 23 CD LYS A 2 -13.284 3.196 -14.974 1.00 0.00 C ATOM 24 CE LYS A 2 -12.728 2.293 -13.872 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.465 2.488 -12.603 1.00 0.00 N ATOM 0 H LYS A 2 -11.566 6.087 -17.140 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.939 7.591 -16.397 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.574 5.685 -15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.881 5.082 -16.714 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.734 4.634 -15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.657 4.981 -13.942 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.369 3.236 -14.879 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.065 2.742 -15.941 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.799 1.250 -14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.671 2.509 -13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.817 2.857 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.240 3.166 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.857 1.578 -12.286 1.00 0.00 H new ATOM 39 N PRO A 3 -13.206 8.184 -13.946 1.00 0.00 N ATOM 40 CA PRO A 3 -12.595 8.947 -12.897 1.00 0.00 C ATOM 41 C PRO A 3 -11.961 8.114 -11.835 1.00 0.00 C ATOM 42 O PRO A 3 -11.096 8.623 -11.127 1.00 0.00 O ATOM 43 CB PRO A 3 -13.714 9.817 -12.327 1.00 0.00 C ATOM 44 CG PRO A 3 -15.002 9.055 -12.678 1.00 0.00 C ATOM 45 CD PRO A 3 -14.635 8.441 -14.038 1.00 0.00 C ATOM 0 HA PRO A 3 -11.768 9.535 -13.296 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.609 9.946 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.708 10.813 -12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.243 8.294 -11.936 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.865 9.718 -12.747 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.193 7.523 -14.223 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.864 9.123 -14.857 1.00 0.00 H new ATOM 53 N GLY A 4 -12.343 6.835 -11.671 1.00 0.00 N ATOM 54 CA GLY A 4 -11.711 5.931 -10.761 1.00 0.00 C ATOM 55 C GLY A 4 -10.627 5.155 -11.428 1.00 0.00 C ATOM 56 O GLY A 4 -10.722 3.941 -11.593 1.00 0.00 O ATOM 0 H GLY A 4 -13.116 6.417 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.297 6.489 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.453 5.245 -10.353 1.00 0.00 H new ATOM 60 N ASP A 5 -9.577 5.862 -11.882 1.00 0.00 N ATOM 61 CA ASP A 5 -8.500 5.310 -12.644 1.00 0.00 C ATOM 62 C ASP A 5 -7.423 4.632 -11.869 1.00 0.00 C ATOM 63 O ASP A 5 -7.372 4.634 -10.640 1.00 0.00 O ATOM 64 CB ASP A 5 -7.982 6.340 -13.661 1.00 0.00 C ATOM 65 CG ASP A 5 -7.442 7.654 -13.113 1.00 0.00 C ATOM 66 OD1 ASP A 5 -6.434 7.663 -12.358 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.975 8.718 -13.530 1.00 0.00 O ATOM 0 H ASP A 5 -9.474 6.862 -11.710 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.929 4.470 -13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.192 5.869 -14.245 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.794 6.571 -14.350 1.00 0.00 H new ATOM 72 N ILE A 6 -6.516 3.957 -12.597 1.00 0.00 N ATOM 73 CA ILE A 6 -5.279 3.448 -12.091 1.00 0.00 C ATOM 74 C ILE A 6 -4.259 4.521 -12.263 1.00 0.00 C ATOM 75 O ILE A 6 -4.129 5.083 -13.350 1.00 0.00 O ATOM 76 CB ILE A 6 -4.810 2.191 -12.760 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.797 1.030 -12.551 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.433 1.764 -12.226 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.922 0.936 -13.581 1.00 0.00 C ATOM 0 H ILE A 6 -6.652 3.756 -13.588 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.430 3.177 -11.046 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.743 2.413 -13.825 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.239 0.094 -12.561 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.241 1.126 -11.560 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.116 0.850 -12.728 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.707 2.554 -12.419 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.498 1.585 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.562 0.086 -13.345 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.513 1.852 -13.559 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.495 0.803 -14.575 1.00 0.00 H new ATOM 91 N PHE A 7 -3.502 4.830 -11.195 1.00 0.00 N ATOM 92 CA PHE A 7 -2.473 5.822 -11.223 1.00 0.00 C ATOM 93 C PHE A 7 -1.224 5.325 -10.580 1.00 0.00 C ATOM 94 O PHE A 7 -1.194 4.287 -9.920 1.00 0.00 O ATOM 95 CB PHE A 7 -2.939 7.184 -10.681 1.00 0.00 C ATOM 96 CG PHE A 7 -3.139 7.291 -9.209 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.140 6.595 -8.573 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.357 8.149 -8.472 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.357 6.751 -7.225 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.569 8.323 -7.124 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.574 7.621 -6.502 1.00 0.00 C ATOM 0 H PHE A 7 -3.609 4.377 -10.287 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.233 6.007 -12.270 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.208 7.936 -10.980 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.879 7.440 -11.171 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.763 5.918 -9.139 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.563 8.695 -8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.140 6.192 -6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.951 9.005 -6.559 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.749 7.753 -5.444 1.00 0.00 H new ATOM 111 N GLU A 8 -0.115 6.055 -10.794 1.00 0.00 N ATOM 112 CA GLU A 8 1.174 5.735 -10.263 1.00 0.00 C ATOM 113 C GLU A 8 1.698 6.905 -9.504 1.00 0.00 C ATOM 114 O GLU A 8 1.589 8.051 -9.938 1.00 0.00 O ATOM 115 CB GLU A 8 2.143 5.317 -11.383 1.00 0.00 C ATOM 116 CG GLU A 8 2.527 6.430 -12.361 1.00 0.00 C ATOM 117 CD GLU A 8 3.040 5.886 -13.686 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.114 5.228 -13.720 1.00 0.00 O ATOM 119 OE2 GLU A 8 2.364 6.124 -14.723 1.00 0.00 O ATOM 0 H GLU A 8 -0.116 6.903 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 8 1.082 4.887 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.053 4.926 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.692 4.500 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.660 7.065 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.293 7.059 -11.908 1.00 0.00 H new ATOM 126 N VAL A 9 2.289 6.673 -8.319 1.00 0.00 N ATOM 127 CA VAL A 9 2.950 7.692 -7.565 1.00 0.00 C ATOM 128 C VAL A 9 4.421 7.549 -7.749 1.00 0.00 C ATOM 129 O VAL A 9 4.959 6.442 -7.753 1.00 0.00 O ATOM 130 CB VAL A 9 2.557 7.741 -6.117 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.083 8.172 -6.043 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.775 6.395 -5.407 1.00 0.00 C ATOM 0 H VAL A 9 2.308 5.755 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 9 2.623 8.656 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 9 3.192 8.459 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.769 8.216 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.968 9.155 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.466 7.450 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.476 6.482 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.175 5.626 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.829 6.122 -5.461 1.00 0.00 H new ATOM 142 N GLU A 10 5.115 8.679 -7.974 1.00 0.00 N ATOM 143 CA GLU A 10 6.499 8.716 -8.331 1.00 0.00 C ATOM 144 C GLU A 10 7.240 9.598 -7.387 1.00 0.00 C ATOM 145 O GLU A 10 7.395 10.792 -7.632 1.00 0.00 O ATOM 146 CB GLU A 10 6.669 9.271 -9.756 1.00 0.00 C ATOM 147 CG GLU A 10 5.971 8.438 -10.834 1.00 0.00 C ATOM 148 CD GLU A 10 6.179 9.011 -12.228 1.00 0.00 C ATOM 149 OE1 GLU A 10 5.565 10.062 -12.554 1.00 0.00 O ATOM 150 OE2 GLU A 10 6.948 8.405 -13.021 1.00 0.00 O ATOM 0 H GLU A 10 4.694 9.605 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 10 6.893 7.701 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.279 10.288 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.732 9.330 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.349 7.416 -10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.904 8.389 -10.619 1.00 0.00 H new ATOM 157 N LEU A 11 7.720 9.063 -6.249 1.00 0.00 N ATOM 158 CA LEU A 11 8.460 9.844 -5.307 1.00 0.00 C ATOM 159 C LEU A 11 9.672 9.103 -4.860 1.00 0.00 C ATOM 160 O LEU A 11 10.011 8.038 -5.373 1.00 0.00 O ATOM 161 CB LEU A 11 7.546 10.297 -4.156 1.00 0.00 C ATOM 162 CG LEU A 11 7.850 11.656 -3.503 1.00 0.00 C ATOM 163 CD1 LEU A 11 7.879 12.816 -4.513 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.804 11.981 -2.423 1.00 0.00 C ATOM 0 H LEU A 11 7.595 8.087 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 11 8.823 10.756 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.522 10.324 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.581 9.534 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 11 8.843 11.561 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.098 13.747 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.650 12.629 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.909 12.895 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.035 12.946 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.813 12.020 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.822 11.208 -1.655 1.00 0.00 H new ATOM 176 N ALA A 12 10.416 9.654 -3.884 1.00 0.00 N ATOM 177 CA ALA A 12 11.540 9.007 -3.282 1.00 0.00 C ATOM 178 C ALA A 12 11.414 9.164 -1.805 1.00 0.00 C ATOM 179 O ALA A 12 10.622 9.966 -1.313 1.00 0.00 O ATOM 180 CB ALA A 12 12.865 9.613 -3.775 1.00 0.00 C ATOM 0 H ALA A 12 10.229 10.581 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 12 11.550 7.953 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.700 9.099 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.938 9.498 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.898 10.672 -3.520 1.00 0.00 H new ATOM 186 N LYS A 13 12.193 8.389 -1.028 1.00 0.00 N ATOM 187 CA LYS A 13 12.263 8.553 0.391 1.00 0.00 C ATOM 188 C LYS A 13 13.002 9.791 0.769 1.00 0.00 C ATOM 189 O LYS A 13 14.162 9.995 0.418 1.00 0.00 O ATOM 190 CB LYS A 13 12.852 7.322 1.102 1.00 0.00 C ATOM 191 CG LYS A 13 13.042 7.478 2.611 1.00 0.00 C ATOM 192 CD LYS A 13 13.110 6.127 3.326 1.00 0.00 C ATOM 193 CE LYS A 13 13.631 6.168 4.764 1.00 0.00 C ATOM 194 NZ LYS A 13 15.066 6.529 4.752 1.00 0.00 N ATOM 0 H LYS A 13 12.782 7.639 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 13 11.234 8.657 0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.199 6.468 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.817 7.088 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.958 8.036 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.219 8.063 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.112 5.688 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.748 5.460 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.066 6.895 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.492 5.198 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.478 6.346 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.562 5.958 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.168 7.538 4.520 1.00 0.00 H new ATOM 208 N ASN A 14 12.310 10.675 1.511 1.00 0.00 N ATOM 209 CA ASN A 14 12.816 11.916 2.010 1.00 0.00 C ATOM 210 C ASN A 14 13.014 11.768 3.480 1.00 0.00 C ATOM 211 O ASN A 14 14.035 11.256 3.937 1.00 0.00 O ATOM 212 CB ASN A 14 11.901 13.079 1.592 1.00 0.00 C ATOM 213 CG ASN A 14 10.421 12.724 1.591 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.864 12.233 2.572 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.742 12.931 0.431 1.00 0.00 N ATOM 0 H ASN A 14 11.339 10.513 1.778 1.00 0.00 H new ATOM 0 HA ASN A 14 13.784 12.166 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.064 13.918 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.186 13.413 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.756 12.678 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.219 13.339 -0.373 1.00 0.00 H new ATOM 222 N ASP A 15 11.996 12.125 4.283 1.00 0.00 N ATOM 223 CA ASP A 15 11.861 11.751 5.656 1.00 0.00 C ATOM 224 C ASP A 15 11.356 10.352 5.756 1.00 0.00 C ATOM 225 O ASP A 15 11.807 9.562 6.584 1.00 0.00 O ATOM 226 CB ASP A 15 10.829 12.663 6.340 1.00 0.00 C ATOM 227 CG ASP A 15 11.314 14.104 6.390 1.00 0.00 C ATOM 228 OD1 ASP A 15 12.335 14.366 7.080 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.640 14.991 5.800 1.00 0.00 O ATOM 0 H ASP A 15 11.225 12.707 3.955 1.00 0.00 H new ATOM 0 HA ASP A 15 12.836 11.840 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.883 12.614 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.638 12.306 7.352 1.00 0.00 H new ATOM 234 N ASN A 16 10.380 10.001 4.900 1.00 0.00 N ATOM 235 CA ASN A 16 9.715 8.735 4.927 1.00 0.00 C ATOM 236 C ASN A 16 9.469 8.248 3.541 1.00 0.00 C ATOM 237 O ASN A 16 9.491 9.015 2.580 1.00 0.00 O ATOM 238 CB ASN A 16 8.379 8.882 5.675 1.00 0.00 C ATOM 239 CG ASN A 16 8.190 7.727 6.646 1.00 0.00 C ATOM 240 OD1 ASN A 16 7.692 6.657 6.298 1.00 0.00 O ATOM 241 ND2 ASN A 16 8.606 7.940 7.923 1.00 0.00 N ATOM 0 H ASN A 16 10.042 10.620 4.163 1.00 0.00 H new ATOM 0 HA ASN A 16 10.346 8.010 5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.359 9.828 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.555 8.905 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.509 7.202 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.015 8.837 8.183 1.00 0.00 H new ATOM 248 N SER A 17 9.211 6.936 3.395 1.00 0.00 N ATOM 249 CA SER A 17 8.781 6.327 2.174 1.00 0.00 C ATOM 250 C SER A 17 7.306 6.466 2.012 1.00 0.00 C ATOM 251 O SER A 17 6.848 7.176 1.118 1.00 0.00 O ATOM 252 CB SER A 17 9.124 4.834 2.047 1.00 0.00 C ATOM 253 OG SER A 17 10.500 4.639 1.755 1.00 0.00 O ATOM 0 H SER A 17 9.306 6.270 4.162 1.00 0.00 H new ATOM 0 HA SER A 17 9.329 6.859 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.872 4.321 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.517 4.386 1.260 1.00 0.00 H new ATOM 0 HG SER A 17 10.637 3.730 1.415 1.00 0.00 H new ATOM 259 N LEU A 18 6.491 5.792 2.842 1.00 0.00 N ATOM 260 CA LEU A 18 5.068 5.895 2.761 1.00 0.00 C ATOM 261 C LEU A 18 4.534 6.797 3.821 1.00 0.00 C ATOM 262 O LEU A 18 4.211 7.952 3.547 1.00 0.00 O ATOM 263 CB LEU A 18 4.359 4.531 2.747 1.00 0.00 C ATOM 264 CG LEU A 18 4.436 3.804 1.394 1.00 0.00 C ATOM 265 CD1 LEU A 18 5.749 3.029 1.186 1.00 0.00 C ATOM 266 CD2 LEU A 18 3.251 2.838 1.229 1.00 0.00 C ATOM 0 H LEU A 18 6.823 5.168 3.578 1.00 0.00 H new ATOM 0 HA LEU A 18 4.843 6.346 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.799 3.896 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.312 4.674 3.013 1.00 0.00 H new ATOM 0 HG LEU A 18 4.397 4.587 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.733 2.542 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.591 3.720 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.854 2.276 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.324 2.334 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.271 2.097 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.317 3.397 1.276 1.00 0.00 H new ATOM 278 N GLY A 19 4.405 6.312 5.069 1.00 0.00 N ATOM 279 CA GLY A 19 3.952 7.072 6.192 1.00 0.00 C ATOM 280 C GLY A 19 2.468 7.128 6.311 1.00 0.00 C ATOM 281 O GLY A 19 1.883 8.200 6.461 1.00 0.00 O ATOM 0 H GLY A 19 4.627 5.345 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.366 6.641 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.341 8.087 6.115 1.00 0.00 H new ATOM 285 N ILE A 20 1.800 5.963 6.251 1.00 0.00 N ATOM 286 CA ILE A 20 0.372 5.886 6.225 1.00 0.00 C ATOM 287 C ILE A 20 -0.084 4.772 7.103 1.00 0.00 C ATOM 288 O ILE A 20 0.722 4.114 7.760 1.00 0.00 O ATOM 289 CB ILE A 20 -0.093 5.834 4.800 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.549 6.283 4.598 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.211 4.477 4.141 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.819 6.806 3.187 1.00 0.00 C ATOM 0 H ILE A 20 2.262 5.054 6.220 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.096 6.777 6.644 1.00 0.00 H new ATOM 0 HB ILE A 20 0.500 6.582 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.214 5.444 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.787 7.063 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.143 4.486 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.286 4.299 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.294 3.684 4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.863 7.108 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.176 7.664 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.610 6.020 2.461 1.00 0.00 H new ATOM 304 N SER A 21 -1.394 4.491 7.214 1.00 0.00 N ATOM 305 CA SER A 21 -1.898 3.370 7.944 1.00 0.00 C ATOM 306 C SER A 21 -2.818 2.567 7.089 1.00 0.00 C ATOM 307 O SER A 21 -3.529 3.105 6.241 1.00 0.00 O ATOM 308 CB SER A 21 -2.536 3.776 9.283 1.00 0.00 C ATOM 309 OG SER A 21 -3.776 4.455 9.140 1.00 0.00 O ATOM 0 H SER A 21 -2.124 5.060 6.784 1.00 0.00 H new ATOM 0 HA SER A 21 -1.052 2.736 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.688 2.883 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.842 4.416 9.827 1.00 0.00 H new ATOM 0 HG SER A 21 -3.673 5.193 8.504 1.00 0.00 H new ATOM 315 N VAL A 22 -2.778 1.230 7.222 1.00 0.00 N ATOM 316 CA VAL A 22 -3.326 0.317 6.266 1.00 0.00 C ATOM 317 C VAL A 22 -4.319 -0.599 6.894 1.00 0.00 C ATOM 318 O VAL A 22 -4.279 -0.870 8.093 1.00 0.00 O ATOM 319 CB VAL A 22 -2.176 -0.405 5.630 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.532 -1.733 4.940 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.542 0.523 4.581 1.00 0.00 C ATOM 0 H VAL A 22 -2.349 0.767 8.023 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.886 0.848 5.496 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.500 -0.661 6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.631 -2.174 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.961 -2.419 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.257 -1.548 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.702 0.015 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.285 0.780 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.189 1.433 5.066 1.00 0.00 H new ATOM 331 N THR A 23 -5.258 -1.152 6.105 1.00 0.00 N ATOM 332 CA THR A 23 -6.205 -2.131 6.539 1.00 0.00 C ATOM 333 C THR A 23 -6.312 -3.189 5.494 1.00 0.00 C ATOM 334 O THR A 23 -6.259 -2.925 4.293 1.00 0.00 O ATOM 335 CB THR A 23 -7.557 -1.551 6.827 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.447 -2.491 7.412 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.242 -0.955 5.585 1.00 0.00 C ATOM 0 H THR A 23 -5.361 -0.905 5.121 1.00 0.00 H new ATOM 0 HA THR A 23 -5.845 -2.550 7.479 1.00 0.00 H new ATOM 0 HB THR A 23 -7.351 -0.751 7.538 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.312 -2.062 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.216 -0.553 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.623 -0.156 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.373 -1.733 4.833 1.00 0.00 H new ATOM 345 N GLY A 24 -6.450 -4.455 5.924 1.00 0.00 N ATOM 346 CA GLY A 24 -6.724 -5.574 5.075 1.00 0.00 C ATOM 347 C GLY A 24 -5.588 -6.077 4.251 1.00 0.00 C ATOM 348 O GLY A 24 -4.447 -5.625 4.336 1.00 0.00 O ATOM 0 H GLY A 24 -6.367 -4.711 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.084 -6.394 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.538 -5.302 4.404 1.00 0.00 H new ATOM 352 N GLY A 25 -5.896 -7.071 3.400 1.00 0.00 N ATOM 353 CA GLY A 25 -4.989 -7.595 2.426 1.00 0.00 C ATOM 354 C GLY A 25 -4.547 -8.985 2.736 1.00 0.00 C ATOM 355 O GLY A 25 -3.376 -9.338 2.613 1.00 0.00 O ATOM 0 H GLY A 25 -6.809 -7.526 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.467 -7.581 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.115 -6.946 2.364 1.00 0.00 H new ATOM 359 N VAL A 26 -5.488 -9.857 3.139 1.00 0.00 N ATOM 360 CA VAL A 26 -5.241 -11.246 3.371 1.00 0.00 C ATOM 361 C VAL A 26 -5.253 -11.962 2.064 1.00 0.00 C ATOM 362 O VAL A 26 -5.493 -11.371 1.012 1.00 0.00 O ATOM 363 CB VAL A 26 -6.194 -11.754 4.412 1.00 0.00 C ATOM 364 CG1 VAL A 26 -5.935 -13.197 4.876 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.082 -10.860 5.658 1.00 0.00 C ATOM 0 H VAL A 26 -6.456 -9.585 3.310 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.252 -11.431 3.790 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.178 -11.733 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.673 -13.475 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.012 -13.873 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.936 -13.267 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.770 -11.217 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.062 -10.895 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.335 -9.833 5.393 1.00 0.00 H new ATOM 375 N ASN A 27 -4.974 -13.277 2.033 1.00 0.00 N ATOM 376 CA ASN A 27 -4.555 -14.028 0.891 1.00 0.00 C ATOM 377 C ASN A 27 -5.598 -14.206 -0.157 1.00 0.00 C ATOM 378 O ASN A 27 -5.293 -14.326 -1.342 1.00 0.00 O ATOM 379 CB ASN A 27 -3.966 -15.376 1.339 1.00 0.00 C ATOM 380 CG ASN A 27 -4.797 -16.031 2.433 1.00 0.00 C ATOM 381 OD1 ASN A 27 -5.955 -16.395 2.235 1.00 0.00 O ATOM 382 ND2 ASN A 27 -4.227 -16.144 3.663 1.00 0.00 N ATOM 0 H ASN A 27 -5.047 -13.857 2.869 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.783 -13.433 0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.904 -16.046 0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.949 -15.224 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.761 -16.536 4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.265 -15.837 3.810 1.00 0.00 H new ATOM 389 N THR A 28 -6.890 -14.138 0.212 1.00 0.00 N ATOM 390 CA THR A 28 -7.898 -13.676 -0.691 1.00 0.00 C ATOM 391 C THR A 28 -8.744 -12.739 0.101 1.00 0.00 C ATOM 392 O THR A 28 -9.040 -12.993 1.267 1.00 0.00 O ATOM 393 CB THR A 28 -8.642 -14.773 -1.392 1.00 0.00 C ATOM 394 OG1 THR A 28 -9.250 -14.304 -2.586 1.00 0.00 O ATOM 395 CG2 THR A 28 -9.718 -15.451 -0.528 1.00 0.00 C ATOM 0 H THR A 28 -7.236 -14.403 1.134 1.00 0.00 H new ATOM 0 HA THR A 28 -7.459 -13.155 -1.542 1.00 0.00 H new ATOM 0 HB THR A 28 -7.882 -15.520 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.726 -15.041 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.210 -16.232 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.252 -15.891 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.455 -14.711 -0.218 1.00 0.00 H new ATOM 403 N SER A 29 -9.064 -11.551 -0.446 1.00 0.00 N ATOM 404 CA SER A 29 -9.599 -10.491 0.350 1.00 0.00 C ATOM 405 C SER A 29 -10.400 -9.522 -0.449 1.00 0.00 C ATOM 406 O SER A 29 -11.621 -9.636 -0.536 1.00 0.00 O ATOM 407 CB SER A 29 -8.513 -9.757 1.155 1.00 0.00 C ATOM 408 OG SER A 29 -7.392 -9.386 0.367 1.00 0.00 O ATOM 0 H SER A 29 -8.953 -11.326 -1.435 1.00 0.00 H new ATOM 0 HA SER A 29 -10.274 -10.971 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.945 -8.863 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.180 -10.397 1.972 1.00 0.00 H new ATOM 0 HG SER A 29 -6.661 -10.021 0.519 1.00 0.00 H new ATOM 414 N VAL A 30 -9.733 -8.516 -1.041 1.00 0.00 N ATOM 415 CA VAL A 30 -10.274 -7.535 -1.931 1.00 0.00 C ATOM 416 C VAL A 30 -10.212 -8.056 -3.325 1.00 0.00 C ATOM 417 O VAL A 30 -11.206 -8.050 -4.051 1.00 0.00 O ATOM 418 CB VAL A 30 -9.628 -6.197 -1.725 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.091 -6.252 -1.716 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.096 -5.149 -2.749 1.00 0.00 C ATOM 0 H VAL A 30 -8.735 -8.378 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.327 -7.357 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.957 -5.890 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.692 -5.249 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.755 -6.904 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.735 -6.642 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.597 -4.200 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.849 -5.488 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.175 -5.015 -2.666 1.00 0.00 H new ATOM 430 N ARG A 31 -9.046 -8.591 -3.730 1.00 0.00 N ATOM 431 CA ARG A 31 -8.865 -9.496 -4.821 1.00 0.00 C ATOM 432 C ARG A 31 -8.083 -10.629 -4.251 1.00 0.00 C ATOM 433 O ARG A 31 -8.107 -10.853 -3.042 1.00 0.00 O ATOM 434 CB ARG A 31 -8.101 -8.817 -5.970 1.00 0.00 C ATOM 435 CG ARG A 31 -8.805 -7.633 -6.636 1.00 0.00 C ATOM 436 CD ARG A 31 -10.136 -7.965 -7.313 1.00 0.00 C ATOM 437 NE ARG A 31 -10.543 -6.766 -8.099 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.310 -6.580 -9.431 1.00 0.00 C ATOM 439 NH1 ARG A 31 -9.679 -7.521 -10.191 1.00 0.00 N ATOM 440 NH2 ARG A 31 -10.722 -5.425 -10.030 1.00 0.00 N ATOM 0 H ARG A 31 -8.167 -8.374 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.813 -9.829 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.139 -8.474 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.892 -9.566 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.980 -6.864 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.134 -7.203 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.031 -8.833 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.894 -8.213 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.036 -6.024 -7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.366 -8.394 -9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.520 -7.352 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.200 -4.709 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.552 -5.278 -11.025 1.00 0.00 H new ATOM 454 N HIS A 32 -7.308 -11.390 -5.045 1.00 0.00 N ATOM 455 CA HIS A 32 -6.305 -12.259 -4.511 1.00 0.00 C ATOM 456 C HIS A 32 -5.047 -11.518 -4.212 1.00 0.00 C ATOM 457 O HIS A 32 -4.027 -11.640 -4.889 1.00 0.00 O ATOM 458 CB HIS A 32 -6.033 -13.505 -5.369 1.00 0.00 C ATOM 459 CG HIS A 32 -5.456 -13.308 -6.739 1.00 0.00 C ATOM 460 ND1 HIS A 32 -4.996 -14.427 -7.405 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.298 -12.200 -7.514 1.00 0.00 C ATOM 462 CE1 HIS A 32 -4.561 -13.984 -8.569 1.00 0.00 C ATOM 463 NE2 HIS A 32 -4.724 -12.639 -8.689 1.00 0.00 N ATOM 0 H HIS A 32 -7.377 -11.403 -6.063 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.715 -12.636 -3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.355 -14.152 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.973 -14.046 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.567 -11.185 -7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.128 -14.613 -9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.471 -12.065 -9.493 1.00 0.00 H new ATOM 471 N GLY A 33 -5.102 -10.667 -3.171 1.00 0.00 N ATOM 472 CA GLY A 33 -4.123 -9.665 -2.882 1.00 0.00 C ATOM 473 C GLY A 33 -4.766 -8.330 -3.039 1.00 0.00 C ATOM 474 O GLY A 33 -5.979 -8.232 -3.217 1.00 0.00 O ATOM 0 H GLY A 33 -5.868 -10.679 -2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.742 -9.787 -1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.272 -9.759 -3.556 1.00 0.00 H new ATOM 478 N GLY A 34 -3.965 -7.252 -2.974 1.00 0.00 N ATOM 479 CA GLY A 34 -4.450 -5.906 -2.949 1.00 0.00 C ATOM 480 C GLY A 34 -4.586 -5.426 -1.545 1.00 0.00 C ATOM 481 O GLY A 34 -5.070 -6.140 -0.668 1.00 0.00 O ATOM 0 H GLY A 34 -2.948 -7.318 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.767 -5.257 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.415 -5.851 -3.453 1.00 0.00 H new ATOM 485 N ILE A 35 -4.144 -4.185 -1.267 1.00 0.00 N ATOM 486 CA ILE A 35 -4.040 -3.681 0.067 1.00 0.00 C ATOM 487 C ILE A 35 -4.778 -2.387 0.087 1.00 0.00 C ATOM 488 O ILE A 35 -4.851 -1.708 -0.937 1.00 0.00 O ATOM 489 CB ILE A 35 -2.604 -3.491 0.458 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.676 -4.675 0.135 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.481 -3.109 1.943 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.990 -5.980 0.864 1.00 0.00 C ATOM 0 H ILE A 35 -3.853 -3.520 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.464 -4.382 0.786 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.257 -2.670 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.715 -4.861 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.652 -4.385 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.430 -2.978 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.018 -2.178 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.908 -3.900 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.276 -6.746 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.920 -5.822 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.999 -6.305 0.610 1.00 0.00 H new ATOM 504 N TYR A 36 -5.388 -1.973 1.211 1.00 0.00 N ATOM 505 CA TYR A 36 -6.290 -0.863 1.225 1.00 0.00 C ATOM 506 C TYR A 36 -5.871 0.160 2.224 1.00 0.00 C ATOM 507 O TYR A 36 -5.415 -0.139 3.326 1.00 0.00 O ATOM 508 CB TYR A 36 -7.709 -1.379 1.518 1.00 0.00 C ATOM 509 CG TYR A 36 -8.736 -0.730 0.656 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.943 -1.211 -0.615 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.494 0.322 1.114 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.899 -0.645 -1.426 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.459 0.883 0.310 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.653 0.409 -0.967 1.00 0.00 C ATOM 515 OH TYR A 36 -11.643 0.971 -1.800 1.00 0.00 O ATOM 0 H TYR A 36 -5.254 -2.413 2.121 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.278 -0.376 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.739 -2.458 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.950 -1.198 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.352 -2.038 -0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.331 0.709 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.057 -1.028 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.065 1.696 0.681 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.088 1.706 -1.329 1.00 0.00 H new ATOM 525 N VAL A 37 -5.985 1.451 1.865 1.00 0.00 N ATOM 526 CA VAL A 37 -5.556 2.543 2.682 1.00 0.00 C ATOM 527 C VAL A 37 -6.578 2.884 3.710 1.00 0.00 C ATOM 528 O VAL A 37 -7.744 3.139 3.411 1.00 0.00 O ATOM 529 CB VAL A 37 -5.230 3.763 1.872 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.778 4.937 2.757 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.110 3.423 0.875 1.00 0.00 C ATOM 0 H VAL A 37 -6.390 1.745 0.976 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.645 2.213 3.181 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.135 4.068 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.552 5.799 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.575 5.194 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.886 4.650 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.869 4.306 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.224 3.098 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.442 2.623 0.213 1.00 0.00 H new ATOM 541 N LYS A 38 -6.176 2.919 4.992 1.00 0.00 N ATOM 542 CA LYS A 38 -7.057 3.229 6.076 1.00 0.00 C ATOM 543 C LYS A 38 -7.121 4.699 6.310 1.00 0.00 C ATOM 544 O LYS A 38 -8.132 5.340 6.029 1.00 0.00 O ATOM 545 CB LYS A 38 -6.612 2.481 7.345 1.00 0.00 C ATOM 546 CG LYS A 38 -7.653 2.443 8.465 1.00 0.00 C ATOM 547 CD LYS A 38 -7.081 1.771 9.715 1.00 0.00 C ATOM 548 CE LYS A 38 -8.111 1.375 10.775 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.896 0.208 10.317 1.00 0.00 N ATOM 0 H LYS A 38 -5.217 2.728 5.283 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.062 2.898 5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.352 1.458 7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.705 2.950 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.972 3.457 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.537 1.902 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.536 0.877 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.356 2.446 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.606 1.138 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.777 2.214 10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.544 -0.092 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.445 0.468 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.251 -0.574 10.083 1.00 0.00 H new ATOM 563 N ALA A 39 -6.032 5.301 6.822 1.00 0.00 N ATOM 564 CA ALA A 39 -6.030 6.662 7.261 1.00 0.00 C ATOM 565 C ALA A 39 -4.642 7.205 7.240 1.00 0.00 C ATOM 566 O ALA A 39 -3.667 6.456 7.228 1.00 0.00 O ATOM 567 CB ALA A 39 -6.612 6.729 8.683 1.00 0.00 C ATOM 0 H ALA A 39 -5.133 4.832 6.933 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.642 7.266 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.615 7.763 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.632 6.346 8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.002 6.125 9.355 1.00 0.00 H new ATOM 573 N VAL A 40 -4.493 8.542 7.218 1.00 0.00 N ATOM 574 CA VAL A 40 -3.241 9.200 7.004 1.00 0.00 C ATOM 575 C VAL A 40 -2.661 9.733 8.269 1.00 0.00 C ATOM 576 O VAL A 40 -3.326 10.345 9.104 1.00 0.00 O ATOM 577 CB VAL A 40 -3.342 10.222 5.910 1.00 0.00 C ATOM 578 CG1 VAL A 40 -4.201 11.441 6.287 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.947 10.643 5.423 1.00 0.00 C ATOM 0 H VAL A 40 -5.271 9.187 7.354 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.527 8.453 6.656 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.865 9.738 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.230 12.138 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.214 11.114 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.769 11.936 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.047 11.384 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.386 11.073 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.417 9.771 5.040 1.00 0.00 H new ATOM 589 N ILE A 41 -1.362 9.471 8.500 1.00 0.00 N ATOM 590 CA ILE A 41 -0.655 9.913 9.661 1.00 0.00 C ATOM 591 C ILE A 41 -0.175 11.310 9.469 1.00 0.00 C ATOM 592 O ILE A 41 0.598 11.520 8.536 1.00 0.00 O ATOM 593 CB ILE A 41 0.495 8.999 9.970 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.081 7.520 10.053 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.192 9.431 11.270 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.873 7.150 11.188 1.00 0.00 C ATOM 0 H ILE A 41 -0.784 8.932 7.855 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.340 9.890 10.509 1.00 0.00 H new ATOM 0 HB ILE A 41 1.193 9.085 9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.386 7.241 9.108 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.983 6.917 10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.023 8.757 11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.568 10.448 11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.480 9.394 12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.093 6.083 11.145 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.409 7.386 12.145 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.799 7.716 11.084 1.00 0.00 H new ATOM 608 N PRO A 42 -0.521 12.315 10.218 1.00 0.00 N ATOM 609 CA PRO A 42 -0.065 13.655 9.988 1.00 0.00 C ATOM 610 C PRO A 42 1.302 13.904 10.525 1.00 0.00 C ATOM 611 O PRO A 42 1.492 14.784 11.364 1.00 0.00 O ATOM 612 CB PRO A 42 -1.124 14.499 10.692 1.00 0.00 C ATOM 613 CG PRO A 42 -1.524 13.651 11.910 1.00 0.00 C ATOM 614 CD PRO A 42 -1.460 12.230 11.327 1.00 0.00 C ATOM 0 HA PRO A 42 0.037 13.886 8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.727 15.468 10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.978 14.692 10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.837 13.783 12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.520 13.901 12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.122 11.512 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.441 11.899 10.988 1.00 0.00 H new ATOM 622 N GLN A 43 2.313 13.145 10.067 1.00 0.00 N ATOM 623 CA GLN A 43 3.664 13.241 10.525 1.00 0.00 C ATOM 624 C GLN A 43 4.645 13.079 9.415 1.00 0.00 C ATOM 625 O GLN A 43 5.852 13.130 9.646 1.00 0.00 O ATOM 626 CB GLN A 43 3.974 12.160 11.573 1.00 0.00 C ATOM 627 CG GLN A 43 3.232 12.305 12.902 1.00 0.00 C ATOM 628 CD GLN A 43 3.568 11.153 13.838 1.00 0.00 C ATOM 629 OE1 GLN A 43 4.230 10.185 13.468 1.00 0.00 O ATOM 630 NE2 GLN A 43 3.108 11.245 15.115 1.00 0.00 N ATOM 0 H GLN A 43 2.183 12.434 9.347 1.00 0.00 H new ATOM 0 HA GLN A 43 3.760 14.236 10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.735 11.186 11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.046 12.167 11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.500 13.251 13.372 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.157 12.332 12.722 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.560 12.056 15.403 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.311 10.503 15.785 1.00 0.00 H new ATOM 639 N GLY A 44 4.203 12.862 8.164 1.00 0.00 N ATOM 640 CA GLY A 44 5.115 12.509 7.121 1.00 0.00 C ATOM 641 C GLY A 44 4.604 12.692 5.734 1.00 0.00 C ATOM 642 O GLY A 44 3.519 13.223 5.505 1.00 0.00 O ATOM 0 H GLY A 44 3.227 12.930 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.021 13.104 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.401 11.465 7.250 1.00 0.00 H new ATOM 646 N ALA A 45 5.414 12.213 4.773 1.00 0.00 N ATOM 647 CA ALA A 45 5.330 12.356 3.352 1.00 0.00 C ATOM 648 C ALA A 45 3.984 12.289 2.717 1.00 0.00 C ATOM 649 O ALA A 45 3.615 13.189 1.965 1.00 0.00 O ATOM 650 CB ALA A 45 6.261 11.324 2.691 1.00 0.00 C ATOM 0 H ALA A 45 6.229 11.656 5.029 1.00 0.00 H new ATOM 0 HA ALA A 45 5.634 13.388 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.204 11.425 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.286 11.497 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.953 10.319 2.979 1.00 0.00 H new ATOM 656 N ALA A 46 3.184 11.252 3.023 1.00 0.00 N ATOM 657 CA ALA A 46 1.871 11.042 2.500 1.00 0.00 C ATOM 658 C ALA A 46 0.944 12.198 2.658 1.00 0.00 C ATOM 659 O ALA A 46 0.259 12.610 1.723 1.00 0.00 O ATOM 660 CB ALA A 46 1.252 9.810 3.182 1.00 0.00 C ATOM 0 H ALA A 46 3.471 10.519 3.672 1.00 0.00 H new ATOM 0 HA ALA A 46 1.995 10.899 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.249 9.642 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.871 8.935 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.197 9.979 4.257 1.00 0.00 H new ATOM 666 N GLU A 47 0.937 12.791 3.865 1.00 0.00 N ATOM 667 CA GLU A 47 0.158 13.940 4.209 1.00 0.00 C ATOM 668 C GLU A 47 0.815 15.188 3.730 1.00 0.00 C ATOM 669 O GLU A 47 0.220 16.006 3.029 1.00 0.00 O ATOM 670 CB GLU A 47 -0.056 13.975 5.732 1.00 0.00 C ATOM 671 CG GLU A 47 -1.420 14.492 6.195 1.00 0.00 C ATOM 672 CD GLU A 47 -1.717 15.946 5.852 1.00 0.00 C ATOM 673 OE1 GLU A 47 -0.922 16.848 6.227 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.789 16.196 5.239 1.00 0.00 O ATOM 0 H GLU A 47 1.505 12.451 4.641 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.813 13.874 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.083 12.967 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.719 14.599 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.196 13.866 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.488 14.370 7.276 1.00 0.00 H new ATOM 681 N SER A 48 2.098 15.387 4.078 1.00 0.00 N ATOM 682 CA SER A 48 2.852 16.579 3.842 1.00 0.00 C ATOM 683 C SER A 48 3.059 16.957 2.416 1.00 0.00 C ATOM 684 O SER A 48 3.003 18.142 2.088 1.00 0.00 O ATOM 685 CB SER A 48 4.224 16.553 4.537 1.00 0.00 C ATOM 686 OG SER A 48 4.062 16.486 5.946 1.00 0.00 O ATOM 0 H SER A 48 2.644 14.669 4.555 1.00 0.00 H new ATOM 0 HA SER A 48 2.208 17.343 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.799 15.695 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.791 17.445 4.271 1.00 0.00 H new ATOM 0 HG SER A 48 4.942 16.468 6.376 1.00 0.00 H new ATOM 692 N ASP A 49 3.289 15.998 1.503 1.00 0.00 N ATOM 693 CA ASP A 49 3.339 16.262 0.098 1.00 0.00 C ATOM 694 C ASP A 49 1.962 16.276 -0.470 1.00 0.00 C ATOM 695 O ASP A 49 1.545 17.242 -1.107 1.00 0.00 O ATOM 696 CB ASP A 49 4.258 15.261 -0.621 1.00 0.00 C ATOM 697 CG ASP A 49 4.866 15.892 -1.865 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.784 16.743 -1.709 1.00 0.00 O ATOM 699 OD2 ASP A 49 4.420 15.594 -3.005 1.00 0.00 O ATOM 0 H ASP A 49 3.443 15.019 1.745 1.00 0.00 H new ATOM 0 HA ASP A 49 3.771 17.250 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.050 14.937 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.691 14.372 -0.897 1.00 0.00 H new ATOM 704 N GLY A 50 1.174 15.214 -0.221 1.00 0.00 N ATOM 705 CA GLY A 50 -0.208 15.147 -0.582 1.00 0.00 C ATOM 706 C GLY A 50 -0.445 14.547 -1.925 1.00 0.00 C ATOM 707 O GLY A 50 -0.569 15.255 -2.923 1.00 0.00 O ATOM 0 H GLY A 50 1.511 14.373 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.743 14.563 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.629 16.152 -0.563 1.00 0.00 H new ATOM 711 N ARG A 51 -0.516 13.206 -1.994 1.00 0.00 N ATOM 712 CA ARG A 51 -0.626 12.512 -3.240 1.00 0.00 C ATOM 713 C ARG A 51 -1.578 11.366 -3.211 1.00 0.00 C ATOM 714 O ARG A 51 -2.083 10.954 -4.255 1.00 0.00 O ATOM 715 CB ARG A 51 0.779 12.096 -3.708 1.00 0.00 C ATOM 716 CG ARG A 51 0.926 11.930 -5.222 1.00 0.00 C ATOM 717 CD ARG A 51 2.378 11.749 -5.668 1.00 0.00 C ATOM 718 NE ARG A 51 2.398 11.688 -7.157 1.00 0.00 N ATOM 719 CZ ARG A 51 3.467 12.064 -7.920 1.00 0.00 C ATOM 720 NH1 ARG A 51 4.532 12.725 -7.382 1.00 0.00 N ATOM 721 NH2 ARG A 51 3.494 11.783 -9.256 1.00 0.00 N ATOM 0 H ARG A 51 -0.497 12.596 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.061 13.199 -3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.496 12.842 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.044 11.155 -3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.343 11.068 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.506 12.804 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.992 12.576 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.796 10.836 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 51 1.564 11.345 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.543 12.950 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.317 12.994 -7.974 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.713 11.290 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.295 12.066 -9.821 1.00 0.00 H new ATOM 735 N ILE A 52 -1.889 10.803 -2.031 1.00 0.00 N ATOM 736 CA ILE A 52 -2.775 9.695 -1.852 1.00 0.00 C ATOM 737 C ILE A 52 -3.750 10.096 -0.799 1.00 0.00 C ATOM 738 O ILE A 52 -3.415 10.889 0.079 1.00 0.00 O ATOM 739 CB ILE A 52 -2.064 8.433 -1.463 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.909 8.091 -2.421 1.00 0.00 C ATOM 741 CG2 ILE A 52 -3.021 7.230 -1.424 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.463 8.541 -1.922 1.00 0.00 C ATOM 0 H ILE A 52 -1.499 11.141 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.269 9.467 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.662 8.623 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.891 7.013 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.103 8.555 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.469 6.335 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.811 7.417 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.463 7.085 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.224 8.264 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.465 9.623 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.680 8.057 -0.970 1.00 0.00 H new ATOM 754 N HIS A 53 -4.999 9.596 -0.830 1.00 0.00 N ATOM 755 CA HIS A 53 -6.007 9.859 0.150 1.00 0.00 C ATOM 756 C HIS A 53 -6.467 8.609 0.816 1.00 0.00 C ATOM 757 O HIS A 53 -6.104 7.501 0.424 1.00 0.00 O ATOM 758 CB HIS A 53 -7.214 10.596 -0.455 1.00 0.00 C ATOM 759 CG HIS A 53 -7.916 9.913 -1.590 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.789 10.644 -2.369 1.00 0.00 N ATOM 761 CD2 HIS A 53 -7.811 8.646 -2.074 1.00 0.00 C ATOM 762 CE1 HIS A 53 -9.182 9.825 -3.328 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.619 8.595 -3.192 1.00 0.00 N ATOM 0 H HIS A 53 -5.321 8.978 -1.575 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.546 10.504 0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.940 10.771 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.878 11.574 -0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.216 7.842 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.864 10.098 -4.120 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.766 7.789 -3.800 1.00 0.00 H new ATOM 771 N LYS A 54 -7.302 8.733 1.864 1.00 0.00 N ATOM 772 CA LYS A 54 -7.966 7.636 2.497 1.00 0.00 C ATOM 773 C LYS A 54 -8.806 6.796 1.597 1.00 0.00 C ATOM 774 O LYS A 54 -9.558 7.281 0.753 1.00 0.00 O ATOM 775 CB LYS A 54 -8.792 8.094 3.711 1.00 0.00 C ATOM 776 CG LYS A 54 -9.920 9.083 3.415 1.00 0.00 C ATOM 777 CD LYS A 54 -10.783 9.351 4.650 1.00 0.00 C ATOM 778 CE LYS A 54 -11.896 10.379 4.444 1.00 0.00 C ATOM 779 NZ LYS A 54 -12.697 10.524 5.680 1.00 0.00 N ATOM 0 H LYS A 54 -7.523 9.634 2.287 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.150 6.993 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.223 7.213 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.116 8.549 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.496 10.021 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.546 8.691 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.231 8.411 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.138 9.692 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.465 11.341 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.539 10.069 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.449 11.225 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.123 9.608 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.082 10.841 6.457 1.00 0.00 H new ATOM 793 N GLY A 55 -8.748 5.465 1.779 1.00 0.00 N ATOM 794 CA GLY A 55 -9.530 4.527 1.034 1.00 0.00 C ATOM 795 C GLY A 55 -9.104 4.257 -0.367 1.00 0.00 C ATOM 796 O GLY A 55 -9.907 3.772 -1.164 1.00 0.00 O ATOM 0 H GLY A 55 -8.137 5.027 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.533 3.581 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.559 4.885 1.013 1.00 0.00 H new ATOM 800 N ASP A 56 -7.832 4.511 -0.720 1.00 0.00 N ATOM 801 CA ASP A 56 -7.284 4.088 -1.972 1.00 0.00 C ATOM 802 C ASP A 56 -6.835 2.669 -1.925 1.00 0.00 C ATOM 803 O ASP A 56 -6.759 2.052 -0.864 1.00 0.00 O ATOM 804 CB ASP A 56 -6.169 5.058 -2.403 1.00 0.00 C ATOM 805 CG ASP A 56 -6.356 5.402 -3.874 1.00 0.00 C ATOM 806 OD1 ASP A 56 -5.927 4.572 -4.720 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.993 6.444 -4.183 1.00 0.00 O ATOM 0 H ASP A 56 -7.173 5.017 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.064 4.121 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.202 5.963 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.191 4.603 -2.244 1.00 0.00 H new ATOM 812 N ARG A 57 -6.561 2.063 -3.094 1.00 0.00 N ATOM 813 CA ARG A 57 -6.317 0.659 -3.215 1.00 0.00 C ATOM 814 C ARG A 57 -4.996 0.419 -3.860 1.00 0.00 C ATOM 815 O ARG A 57 -4.833 0.579 -5.069 1.00 0.00 O ATOM 816 CB ARG A 57 -7.409 0.013 -4.083 1.00 0.00 C ATOM 817 CG ARG A 57 -7.338 -1.511 -4.202 1.00 0.00 C ATOM 818 CD ARG A 57 -8.207 -2.075 -5.330 1.00 0.00 C ATOM 819 NE ARG A 57 -9.587 -1.546 -5.138 1.00 0.00 N ATOM 820 CZ ARG A 57 -10.719 -2.209 -5.514 1.00 0.00 C ATOM 821 NH1 ARG A 57 -10.671 -3.413 -6.157 1.00 0.00 N ATOM 822 NH2 ARG A 57 -11.933 -1.625 -5.290 1.00 0.00 N ATOM 0 H ARG A 57 -6.508 2.564 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.323 0.221 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.382 0.283 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.354 0.441 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.302 -1.807 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.649 -1.957 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.814 -1.778 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.207 -3.165 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.692 -0.632 -4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.770 -3.842 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.536 -3.883 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.984 -0.707 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.789 -2.107 -5.565 1.00 0.00 H new ATOM 836 N VAL A 58 -3.979 0.004 -3.084 1.00 0.00 N ATOM 837 CA VAL A 58 -2.643 -0.122 -3.576 1.00 0.00 C ATOM 838 C VAL A 58 -2.362 -1.508 -4.046 1.00 0.00 C ATOM 839 O VAL A 58 -2.836 -2.502 -3.499 1.00 0.00 O ATOM 840 CB VAL A 58 -1.611 0.381 -2.610 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.986 1.795 -2.138 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.481 -0.556 -1.398 1.00 0.00 C ATOM 0 H VAL A 58 -4.086 -0.248 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.568 0.532 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.649 0.409 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.234 2.156 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.033 2.465 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.958 1.768 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.726 -0.166 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.439 -0.618 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.186 -1.549 -1.736 1.00 0.00 H new ATOM 852 N LEU A 59 -1.602 -1.612 -5.151 1.00 0.00 N ATOM 853 CA LEU A 59 -1.462 -2.827 -5.891 1.00 0.00 C ATOM 854 C LEU A 59 -0.027 -3.165 -6.108 1.00 0.00 C ATOM 855 O LEU A 59 0.570 -3.910 -5.332 1.00 0.00 O ATOM 856 CB LEU A 59 -2.233 -2.716 -7.217 1.00 0.00 C ATOM 857 CG LEU A 59 -3.755 -2.542 -7.086 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.387 -2.246 -8.456 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.434 -3.769 -6.455 1.00 0.00 C ATOM 0 H LEU A 59 -1.072 -0.832 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.890 -3.646 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.835 -1.871 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.037 -3.611 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.917 -1.695 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.464 -2.126 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.961 -1.329 -8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.184 -3.073 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.508 -3.595 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.248 -4.646 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.028 -3.937 -5.457 1.00 0.00 H new ATOM 871 N ALA A 60 0.619 -2.662 -7.175 1.00 0.00 N ATOM 872 CA ALA A 60 1.941 -3.072 -7.533 1.00 0.00 C ATOM 873 C ALA A 60 2.999 -2.232 -6.904 1.00 0.00 C ATOM 874 O ALA A 60 2.788 -1.068 -6.574 1.00 0.00 O ATOM 875 CB ALA A 60 2.134 -3.082 -9.059 1.00 0.00 C ATOM 0 H ALA A 60 0.218 -1.961 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 60 2.048 -4.086 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.150 -3.398 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.424 -3.775 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.965 -2.080 -9.454 1.00 0.00 H new ATOM 881 N VAL A 61 4.202 -2.806 -6.715 1.00 0.00 N ATOM 882 CA VAL A 61 5.343 -2.107 -6.211 1.00 0.00 C ATOM 883 C VAL A 61 6.383 -2.103 -7.278 1.00 0.00 C ATOM 884 O VAL A 61 6.961 -3.142 -7.595 1.00 0.00 O ATOM 885 CB VAL A 61 5.907 -2.710 -4.958 1.00 0.00 C ATOM 886 CG1 VAL A 61 7.129 -1.905 -4.483 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.821 -2.725 -3.870 1.00 0.00 C ATOM 0 H VAL A 61 4.386 -3.788 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 61 5.029 -1.097 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 61 6.228 -3.732 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.529 -2.353 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.895 -1.914 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.831 -0.876 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.226 -3.162 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.493 -1.705 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.973 -3.318 -4.211 1.00 0.00 H new ATOM 897 N ASN A 62 6.637 -0.939 -7.902 1.00 0.00 N ATOM 898 CA ASN A 62 7.689 -0.700 -8.842 1.00 0.00 C ATOM 899 C ASN A 62 7.670 -1.623 -10.012 1.00 0.00 C ATOM 900 O ASN A 62 8.656 -2.266 -10.367 1.00 0.00 O ATOM 901 CB ASN A 62 9.031 -0.545 -8.107 1.00 0.00 C ATOM 902 CG ASN A 62 10.210 -0.128 -8.974 1.00 0.00 C ATOM 903 OD1 ASN A 62 11.291 -0.707 -8.883 1.00 0.00 O ATOM 904 ND2 ASN A 62 10.028 0.902 -9.844 1.00 0.00 N ATOM 0 H ASN A 62 6.068 -0.108 -7.738 1.00 0.00 H new ATOM 0 HA ASN A 62 7.515 0.258 -9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.907 0.192 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.273 -1.493 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.798 1.209 -10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.122 1.367 -9.902 1.00 0.00 H new ATOM 911 N GLY A 63 6.497 -1.756 -10.655 1.00 0.00 N ATOM 912 CA GLY A 63 6.312 -2.612 -11.786 1.00 0.00 C ATOM 913 C GLY A 63 5.883 -4.000 -11.455 1.00 0.00 C ATOM 914 O GLY A 63 5.212 -4.648 -12.257 1.00 0.00 O ATOM 0 H GLY A 63 5.652 -1.254 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.568 -2.164 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.246 -2.659 -12.345 1.00 0.00 H new ATOM 918 N VAL A 64 6.256 -4.540 -10.281 1.00 0.00 N ATOM 919 CA VAL A 64 6.000 -5.907 -9.950 1.00 0.00 C ATOM 920 C VAL A 64 4.662 -6.066 -9.312 1.00 0.00 C ATOM 921 O VAL A 64 4.472 -5.839 -8.118 1.00 0.00 O ATOM 922 CB VAL A 64 7.067 -6.511 -9.086 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.852 -8.027 -8.946 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.445 -6.239 -9.714 1.00 0.00 C ATOM 0 H VAL A 64 6.742 -4.020 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 64 6.009 -6.453 -10.893 1.00 0.00 H new ATOM 0 HB VAL A 64 7.018 -6.060 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.635 -8.449 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.879 -8.216 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.889 -8.492 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.223 -6.677 -9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.486 -6.684 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.604 -5.163 -9.791 1.00 0.00 H new ATOM 934 N SER A 65 3.665 -6.483 -10.111 1.00 0.00 N ATOM 935 CA SER A 65 2.391 -6.934 -9.642 1.00 0.00 C ATOM 936 C SER A 65 2.485 -8.334 -9.140 1.00 0.00 C ATOM 937 O SER A 65 2.482 -9.289 -9.914 1.00 0.00 O ATOM 938 CB SER A 65 1.316 -6.926 -10.742 1.00 0.00 C ATOM 939 OG SER A 65 1.020 -5.599 -11.152 1.00 0.00 O ATOM 0 H SER A 65 3.749 -6.507 -11.127 1.00 0.00 H new ATOM 0 HA SER A 65 2.106 -6.241 -8.851 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.661 -7.507 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.410 -7.408 -10.374 1.00 0.00 H new ATOM 0 HG SER A 65 0.335 -5.618 -11.853 1.00 0.00 H new ATOM 945 N LEU A 66 2.585 -8.523 -7.811 1.00 0.00 N ATOM 946 CA LEU A 66 2.721 -9.817 -7.220 1.00 0.00 C ATOM 947 C LEU A 66 1.381 -10.323 -6.812 1.00 0.00 C ATOM 948 O LEU A 66 0.857 -10.043 -5.734 1.00 0.00 O ATOM 949 CB LEU A 66 3.730 -9.785 -6.060 1.00 0.00 C ATOM 950 CG LEU A 66 4.548 -11.071 -5.858 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.684 -12.335 -5.706 1.00 0.00 C ATOM 952 CD2 LEU A 66 5.589 -11.274 -6.971 1.00 0.00 C ATOM 0 H LEU A 66 2.571 -7.760 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 66 3.125 -10.516 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.421 -8.958 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.190 -9.570 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 66 5.069 -10.925 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.329 -13.202 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.030 -12.227 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.079 -12.472 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.143 -12.194 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.083 -11.341 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.279 -10.431 -6.982 1.00 0.00 H new ATOM 964 N GLU A 67 0.738 -11.085 -7.714 1.00 0.00 N ATOM 965 CA GLU A 67 -0.529 -11.718 -7.511 1.00 0.00 C ATOM 966 C GLU A 67 -0.471 -12.804 -6.493 1.00 0.00 C ATOM 967 O GLU A 67 0.411 -13.659 -6.512 1.00 0.00 O ATOM 968 CB GLU A 67 -1.087 -12.194 -8.864 1.00 0.00 C ATOM 969 CG GLU A 67 -0.077 -12.880 -9.786 1.00 0.00 C ATOM 970 CD GLU A 67 -0.673 -13.079 -11.173 1.00 0.00 C ATOM 971 OE1 GLU A 67 -1.547 -13.972 -11.332 1.00 0.00 O ATOM 972 OE2 GLU A 67 -0.287 -12.336 -12.114 1.00 0.00 O ATOM 0 H GLU A 67 1.125 -11.270 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.220 -10.985 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.909 -12.885 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.506 -11.335 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.829 -12.278 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.212 -13.843 -9.366 1.00 0.00 H new ATOM 979 N GLY A 68 -1.394 -12.782 -5.514 1.00 0.00 N ATOM 980 CA GLY A 68 -1.393 -13.687 -4.408 1.00 0.00 C ATOM 981 C GLY A 68 -0.692 -13.181 -3.194 1.00 0.00 C ATOM 982 O GLY A 68 -0.720 -13.835 -2.151 1.00 0.00 O ATOM 0 H GLY A 68 -2.164 -12.114 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.425 -13.920 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.925 -14.621 -4.720 1.00 0.00 H new ATOM 986 N ALA A 69 -0.022 -12.017 -3.251 1.00 0.00 N ATOM 987 CA ALA A 69 0.714 -11.487 -2.145 1.00 0.00 C ATOM 988 C ALA A 69 -0.138 -10.882 -1.083 1.00 0.00 C ATOM 989 O ALA A 69 -1.042 -10.090 -1.344 1.00 0.00 O ATOM 990 CB ALA A 69 1.730 -10.434 -2.619 1.00 0.00 C ATOM 0 H ALA A 69 0.009 -11.430 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 69 1.222 -12.346 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.278 -10.045 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.429 -10.892 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.204 -9.618 -3.114 1.00 0.00 H new ATOM 996 N THR A 70 0.147 -11.230 0.184 1.00 0.00 N ATOM 997 CA THR A 70 -0.548 -10.765 1.344 1.00 0.00 C ATOM 998 C THR A 70 -0.043 -9.448 1.825 1.00 0.00 C ATOM 999 O THR A 70 0.915 -8.875 1.308 1.00 0.00 O ATOM 1000 CB THR A 70 -0.471 -11.745 2.477 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.854 -11.960 2.941 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.996 -13.111 2.002 1.00 0.00 C ATOM 0 H THR A 70 0.906 -11.873 0.411 1.00 0.00 H new ATOM 0 HA THR A 70 -1.585 -10.653 1.028 1.00 0.00 H new ATOM 0 HB THR A 70 -1.065 -11.321 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.842 -12.605 3.679 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.942 -13.827 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.031 -13.010 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.387 -13.466 1.170 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.676 -8.920 2.888 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.322 -7.736 3.608 1.00 0.00 C ATOM 1012 C HIS A 71 1.063 -7.754 4.158 1.00 0.00 C ATOM 1013 O HIS A 71 1.812 -6.796 3.978 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.372 -7.501 4.708 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.211 -6.240 5.505 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.817 -5.025 4.981 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.457 -6.012 6.823 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.826 -4.136 6.009 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.218 -4.691 7.141 1.00 0.00 N ATOM 0 H HIS A 71 -1.509 -9.362 3.276 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.321 -6.903 2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.359 -7.493 4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.348 -8.348 5.394 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.568 -4.832 4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.793 -6.762 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.545 -3.098 5.911 1.00 0.00 H new ATOM 1027 N LYS A 72 1.494 -8.863 4.786 1.00 0.00 N ATOM 1028 CA LYS A 72 2.842 -9.068 5.220 1.00 0.00 C ATOM 1029 C LYS A 72 3.854 -8.995 4.131 1.00 0.00 C ATOM 1030 O LYS A 72 4.886 -8.340 4.269 1.00 0.00 O ATOM 1031 CB LYS A 72 2.966 -10.405 5.970 1.00 0.00 C ATOM 1032 CG LYS A 72 4.359 -10.745 6.502 1.00 0.00 C ATOM 1033 CD LYS A 72 4.966 -9.718 7.461 1.00 0.00 C ATOM 1034 CE LYS A 72 4.264 -9.651 8.819 1.00 0.00 C ATOM 1035 NZ LYS A 72 4.913 -8.658 9.704 1.00 0.00 N ATOM 0 H LYS A 72 0.879 -9.648 5.000 1.00 0.00 H new ATOM 0 HA LYS A 72 3.064 -8.238 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.270 -10.395 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.648 -11.205 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.310 -11.707 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.033 -10.867 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.018 -9.958 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.930 -8.733 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.216 -9.387 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.285 -10.633 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.418 -8.632 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.907 -8.925 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.871 -7.718 9.261 1.00 0.00 H new ATOM 1049 N GLN A 73 3.579 -9.608 2.966 1.00 0.00 N ATOM 1050 CA GLN A 73 4.462 -9.616 1.841 1.00 0.00 C ATOM 1051 C GLN A 73 4.559 -8.275 1.198 1.00 0.00 C ATOM 1052 O GLN A 73 5.636 -7.825 0.810 1.00 0.00 O ATOM 1053 CB GLN A 73 3.964 -10.618 0.786 1.00 0.00 C ATOM 1054 CG GLN A 73 4.092 -12.093 1.168 1.00 0.00 C ATOM 1055 CD GLN A 73 5.532 -12.566 1.315 1.00 0.00 C ATOM 1056 OE1 GLN A 73 5.922 -13.182 2.305 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.376 -12.296 0.284 1.00 0.00 N ATOM 0 H GLN A 73 2.710 -10.117 2.801 1.00 0.00 H new ATOM 0 HA GLN A 73 5.446 -9.901 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.916 -10.405 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.517 -10.451 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.566 -12.263 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.595 -12.699 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.038 -11.784 -0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.347 -12.605 0.325 1.00 0.00 H new ATOM 1066 N ALA A 74 3.429 -7.551 1.102 1.00 0.00 N ATOM 1067 CA ALA A 74 3.367 -6.197 0.648 1.00 0.00 C ATOM 1068 C ALA A 74 4.112 -5.246 1.520 1.00 0.00 C ATOM 1069 O ALA A 74 4.965 -4.505 1.036 1.00 0.00 O ATOM 1070 CB ALA A 74 1.897 -5.761 0.525 1.00 0.00 C ATOM 0 H ALA A 74 2.515 -7.929 1.353 1.00 0.00 H new ATOM 0 HA ALA A 74 3.855 -6.167 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.851 -4.728 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.385 -6.406 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.412 -5.839 1.498 1.00 0.00 H new ATOM 1076 N VAL A 75 3.882 -5.241 2.845 1.00 0.00 N ATOM 1077 CA VAL A 75 4.547 -4.377 3.771 1.00 0.00 C ATOM 1078 C VAL A 75 6.012 -4.635 3.862 1.00 0.00 C ATOM 1079 O VAL A 75 6.806 -3.699 3.935 1.00 0.00 O ATOM 1080 CB VAL A 75 3.873 -4.359 5.111 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.649 -3.533 6.151 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.479 -3.737 4.916 1.00 0.00 C ATOM 0 H VAL A 75 3.206 -5.863 3.289 1.00 0.00 H new ATOM 0 HA VAL A 75 4.456 -3.369 3.366 1.00 0.00 H new ATOM 0 HB VAL A 75 3.820 -5.380 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.117 -3.554 7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.645 -3.957 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.736 -2.503 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.957 -3.707 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.584 -2.724 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.908 -4.339 4.209 1.00 0.00 H new ATOM 1092 N GLU A 76 6.464 -5.898 3.764 1.00 0.00 N ATOM 1093 CA GLU A 76 7.842 -6.245 3.605 1.00 0.00 C ATOM 1094 C GLU A 76 8.474 -5.649 2.396 1.00 0.00 C ATOM 1095 O GLU A 76 9.534 -5.026 2.463 1.00 0.00 O ATOM 1096 CB GLU A 76 7.981 -7.777 3.603 1.00 0.00 C ATOM 1097 CG GLU A 76 9.414 -8.292 3.450 1.00 0.00 C ATOM 1098 CD GLU A 76 9.521 -9.777 3.763 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.410 -10.149 4.960 1.00 0.00 O ATOM 1100 OE2 GLU A 76 9.818 -10.580 2.838 1.00 0.00 O ATOM 0 H GLU A 76 5.846 -6.709 3.797 1.00 0.00 H new ATOM 0 HA GLU A 76 8.383 -5.820 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.568 -8.166 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.376 -8.181 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.758 -8.110 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.073 -7.733 4.114 1.00 0.00 H new ATOM 1107 N THR A 77 7.800 -5.746 1.235 1.00 0.00 N ATOM 1108 CA THR A 77 8.199 -5.177 -0.014 1.00 0.00 C ATOM 1109 C THR A 77 8.255 -3.687 0.012 1.00 0.00 C ATOM 1110 O THR A 77 9.143 -3.072 -0.574 1.00 0.00 O ATOM 1111 CB THR A 77 7.324 -5.636 -1.144 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.302 -7.053 -1.230 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.837 -5.161 -2.514 1.00 0.00 C ATOM 0 H THR A 77 6.919 -6.256 1.166 1.00 0.00 H new ATOM 0 HA THR A 77 9.213 -5.540 -0.184 1.00 0.00 H new ATOM 0 HB THR A 77 6.341 -5.218 -0.927 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.674 -7.411 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.169 -5.520 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.867 -4.072 -2.533 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.839 -5.555 -2.684 1.00 0.00 H new ATOM 1121 N LEU A 78 7.337 -3.021 0.735 1.00 0.00 N ATOM 1122 CA LEU A 78 7.263 -1.597 0.862 1.00 0.00 C ATOM 1123 C LEU A 78 8.247 -1.036 1.829 1.00 0.00 C ATOM 1124 O LEU A 78 8.807 0.036 1.604 1.00 0.00 O ATOM 1125 CB LEU A 78 5.858 -1.159 1.307 1.00 0.00 C ATOM 1126 CG LEU A 78 4.752 -1.369 0.259 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.364 -1.226 0.905 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.881 -0.392 -0.922 1.00 0.00 C ATOM 0 H LEU A 78 6.606 -3.502 1.260 1.00 0.00 H new ATOM 0 HA LEU A 78 7.498 -1.209 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.591 -1.708 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.890 -0.103 1.573 1.00 0.00 H new ATOM 0 HG LEU A 78 4.869 -2.380 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.593 -1.378 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.251 -1.971 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.262 -0.228 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.079 -0.577 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.811 0.632 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.844 -0.538 -1.411 1.00 0.00 H new ATOM 1140 N ARG A 79 8.550 -1.732 2.939 1.00 0.00 N ATOM 1141 CA ARG A 79 9.591 -1.352 3.844 1.00 0.00 C ATOM 1142 C ARG A 79 10.948 -1.474 3.241 1.00 0.00 C ATOM 1143 O ARG A 79 11.863 -0.729 3.587 1.00 0.00 O ATOM 1144 CB ARG A 79 9.528 -2.134 5.166 1.00 0.00 C ATOM 1145 CG ARG A 79 8.395 -1.678 6.087 1.00 0.00 C ATOM 1146 CD ARG A 79 8.455 -2.294 7.487 1.00 0.00 C ATOM 1147 NE ARG A 79 7.390 -1.663 8.315 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.445 -1.535 9.673 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.498 -1.956 10.433 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.405 -0.938 10.327 1.00 0.00 N ATOM 0 H ARG A 79 8.058 -2.582 3.215 1.00 0.00 H new ATOM 0 HA ARG A 79 9.416 -0.298 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.404 -3.195 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.478 -2.026 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.426 -0.592 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.440 -1.934 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.308 -3.373 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.435 -2.127 7.935 1.00 0.00 H new ATOM 0 HE ARG A 79 6.565 -1.303 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.304 -2.395 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.478 -1.831 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.601 -0.595 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.432 -0.835 11.341 1.00 0.00 H new ATOM 1164 N ASN A 80 11.148 -2.386 2.273 1.00 0.00 N ATOM 1165 CA ASN A 80 12.360 -2.497 1.521 1.00 0.00 C ATOM 1166 C ASN A 80 12.343 -1.680 0.276 1.00 0.00 C ATOM 1167 O ASN A 80 12.693 -2.126 -0.815 1.00 0.00 O ATOM 1168 CB ASN A 80 12.617 -3.986 1.233 1.00 0.00 C ATOM 1169 CG ASN A 80 14.077 -4.250 0.898 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.983 -3.850 1.627 1.00 0.00 O ATOM 1171 ND2 ASN A 80 14.327 -4.972 -0.229 1.00 0.00 N ATOM 0 H ASN A 80 10.441 -3.070 2.004 1.00 0.00 H new ATOM 0 HA ASN A 80 13.181 -2.091 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.330 -4.579 2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.989 -4.310 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.288 -5.195 -0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.554 -5.290 -0.813 1.00 0.00 H new ATOM 1178 N THR A 81 11.952 -0.400 0.398 1.00 0.00 N ATOM 1179 CA THR A 81 11.986 0.582 -0.642 1.00 0.00 C ATOM 1180 C THR A 81 13.334 1.217 -0.692 1.00 0.00 C ATOM 1181 O THR A 81 14.101 0.986 -1.624 1.00 0.00 O ATOM 1182 CB THR A 81 10.936 1.648 -0.548 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.609 1.963 0.797 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.653 1.155 -1.239 1.00 0.00 C ATOM 0 H THR A 81 11.590 -0.028 1.276 1.00 0.00 H new ATOM 0 HA THR A 81 11.768 0.035 -1.559 1.00 0.00 H new ATOM 0 HB THR A 81 11.337 2.540 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.896 1.367 1.108 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.885 1.926 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.864 0.940 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.300 0.249 -0.747 1.00 0.00 H new ATOM 1192 N GLY A 82 13.686 2.037 0.314 1.00 0.00 N ATOM 1193 CA GLY A 82 15.009 2.552 0.479 1.00 0.00 C ATOM 1194 C GLY A 82 15.190 3.884 -0.166 1.00 0.00 C ATOM 1195 O GLY A 82 15.048 4.923 0.476 1.00 0.00 O ATOM 0 H GLY A 82 13.033 2.350 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.233 2.634 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.725 1.847 0.056 1.00 0.00 H new ATOM 1199 N GLN A 83 15.547 3.909 -1.463 1.00 0.00 N ATOM 1200 CA GLN A 83 15.606 5.123 -2.217 1.00 0.00 C ATOM 1201 C GLN A 83 14.292 5.546 -2.777 1.00 0.00 C ATOM 1202 O GLN A 83 13.779 6.621 -2.471 1.00 0.00 O ATOM 1203 CB GLN A 83 16.694 5.065 -3.303 1.00 0.00 C ATOM 1204 CG GLN A 83 16.986 6.422 -3.945 1.00 0.00 C ATOM 1205 CD GLN A 83 18.250 6.407 -4.792 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.885 5.382 -5.040 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.656 7.624 -5.243 1.00 0.00 N ATOM 0 H GLN A 83 15.798 3.076 -1.995 1.00 0.00 H new ATOM 0 HA GLN A 83 15.884 5.898 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.612 4.673 -2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.386 4.364 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.140 6.716 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.085 7.176 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.111 8.457 -5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.506 7.703 -5.802 1.00 0.00 H new ATOM 1216 N VAL A 84 13.695 4.710 -3.646 1.00 0.00 N ATOM 1217 CA VAL A 84 12.624 5.094 -4.510 1.00 0.00 C ATOM 1218 C VAL A 84 11.300 4.565 -4.076 1.00 0.00 C ATOM 1219 O VAL A 84 11.171 3.446 -3.580 1.00 0.00 O ATOM 1220 CB VAL A 84 12.945 4.738 -5.931 1.00 0.00 C ATOM 1221 CG1 VAL A 84 12.963 3.217 -6.162 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.004 5.443 -6.923 1.00 0.00 C ATOM 0 H VAL A 84 13.968 3.733 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 84 12.529 6.178 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 84 13.955 5.101 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.200 3.010 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.717 2.761 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.984 2.801 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.270 5.159 -7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.975 5.148 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.100 6.523 -6.811 1.00 0.00 H new ATOM 1232 N VAL A 85 10.235 5.369 -4.241 1.00 0.00 N ATOM 1233 CA VAL A 85 8.885 5.033 -3.913 1.00 0.00 C ATOM 1234 C VAL A 85 8.079 5.143 -5.161 1.00 0.00 C ATOM 1235 O VAL A 85 7.595 6.214 -5.521 1.00 0.00 O ATOM 1236 CB VAL A 85 8.334 5.941 -2.853 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.907 5.527 -2.455 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.237 5.894 -1.608 1.00 0.00 C ATOM 0 H VAL A 85 10.322 6.309 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 85 8.845 4.020 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 85 8.305 6.953 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.533 6.203 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.257 5.577 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.918 4.508 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.833 6.555 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.276 4.874 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.242 6.220 -1.875 1.00 0.00 H new ATOM 1248 N HIS A 86 7.922 4.035 -5.909 1.00 0.00 N ATOM 1249 CA HIS A 86 7.220 4.041 -7.155 1.00 0.00 C ATOM 1250 C HIS A 86 6.148 3.006 -7.174 1.00 0.00 C ATOM 1251 O HIS A 86 6.410 1.819 -7.358 1.00 0.00 O ATOM 1252 CB HIS A 86 8.200 3.861 -8.327 1.00 0.00 C ATOM 1253 CG HIS A 86 7.699 4.338 -9.658 1.00 0.00 C ATOM 1254 ND1 HIS A 86 8.612 4.839 -10.563 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.446 4.361 -10.188 1.00 0.00 C ATOM 1256 CE1 HIS A 86 7.901 5.163 -11.628 1.00 0.00 C ATOM 1257 NE2 HIS A 86 6.580 4.891 -11.456 1.00 0.00 N ATOM 0 H HIS A 86 8.288 3.121 -5.644 1.00 0.00 H new ATOM 0 HA HIS A 86 6.735 5.010 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.123 4.392 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.452 2.804 -8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.533 4.032 -9.714 1.00 0.00 H new ATOM 0 HE1 HIS A 86 8.319 5.592 -12.527 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.833 5.048 -12.132 1.00 0.00 H new ATOM 1265 N LEU A 87 4.889 3.401 -6.909 1.00 0.00 N ATOM 1266 CA LEU A 87 3.840 2.499 -6.549 1.00 0.00 C ATOM 1267 C LEU A 87 2.643 2.682 -7.418 1.00 0.00 C ATOM 1268 O LEU A 87 2.438 3.762 -7.971 1.00 0.00 O ATOM 1269 CB LEU A 87 3.443 2.710 -5.078 1.00 0.00 C ATOM 1270 CG LEU A 87 4.618 2.703 -4.085 1.00 0.00 C ATOM 1271 CD1 LEU A 87 4.174 3.142 -2.679 1.00 0.00 C ATOM 1272 CD2 LEU A 87 5.298 1.325 -4.010 1.00 0.00 C ATOM 0 H LEU A 87 4.593 4.376 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 87 4.213 1.484 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.918 3.661 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.738 1.929 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 87 5.344 3.423 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.030 3.125 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.768 4.153 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.408 2.460 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.122 1.364 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.573 0.579 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.681 1.054 -4.994 1.00 0.00 H new ATOM 1284 N LEU A 88 1.815 1.637 -7.586 1.00 0.00 N ATOM 1285 CA LEU A 88 0.682 1.630 -8.459 1.00 0.00 C ATOM 1286 C LEU A 88 -0.546 1.356 -7.660 1.00 0.00 C ATOM 1287 O LEU A 88 -0.573 0.443 -6.836 1.00 0.00 O ATOM 1288 CB LEU A 88 0.752 0.500 -9.501 1.00 0.00 C ATOM 1289 CG LEU A 88 1.564 0.749 -10.783 1.00 0.00 C ATOM 1290 CD1 LEU A 88 0.845 1.747 -11.706 1.00 0.00 C ATOM 1291 CD2 LEU A 88 3.028 1.150 -10.537 1.00 0.00 C ATOM 0 H LEU A 88 1.941 0.755 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 88 0.667 2.599 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.165 -0.381 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.268 0.253 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 88 1.620 -0.214 -11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.441 1.905 -12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.131 1.348 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.715 2.696 -11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.528 1.306 -11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.060 2.071 -9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.535 0.357 -9.988 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.617 2.136 -7.892 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.801 2.103 -7.091 1.00 0.00 C ATOM 1305 C LEU A 89 -4.011 2.432 -7.897 1.00 0.00 C ATOM 1306 O LEU A 89 -3.935 3.095 -8.930 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.670 2.962 -5.822 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.101 4.389 -5.911 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.418 5.122 -4.597 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.582 4.482 -6.137 1.00 0.00 C ATOM 0 H LEU A 89 -1.661 2.808 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.930 1.079 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.663 3.037 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.047 2.408 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.572 4.835 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.022 6.136 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.498 5.160 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.959 4.590 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.285 5.530 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.061 3.994 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.323 3.988 -7.074 1.00 0.00 H new ATOM 1322 N GLU A 90 -5.188 1.927 -7.485 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.448 2.104 -8.136 1.00 0.00 C ATOM 1324 C GLU A 90 -7.344 2.944 -7.292 1.00 0.00 C ATOM 1325 O GLU A 90 -7.666 2.578 -6.162 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.164 0.767 -8.397 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.370 0.897 -9.328 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.362 -0.256 -9.268 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.969 -1.453 -9.282 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.583 0.057 -9.259 1.00 0.00 O ATOM 0 H GLU A 90 -5.263 1.358 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.241 2.585 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.455 0.062 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.492 0.347 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.896 1.821 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.010 0.992 -10.352 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.808 4.093 -7.816 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.412 5.132 -7.039 1.00 0.00 C ATOM 1339 C LYS A 91 -9.561 4.788 -6.155 1.00 0.00 C ATOM 1340 O LYS A 91 -10.511 4.099 -6.522 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.829 6.332 -7.906 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.620 7.133 -8.392 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.996 8.460 -9.054 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.773 9.320 -9.376 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.136 9.844 -8.147 1.00 0.00 N ATOM 0 H LYS A 91 -7.762 4.306 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.592 5.366 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.399 5.978 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.488 6.983 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.961 7.331 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.055 6.529 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.548 8.261 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.663 9.015 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.050 8.729 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.070 10.151 -10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.520 10.646 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.871 10.161 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.569 9.094 -7.703 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.501 5.328 -4.923 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.498 5.219 -3.905 1.00 0.00 C ATOM 1361 C GLY A 92 -11.701 6.079 -4.087 1.00 0.00 C ATOM 1362 O GLY A 92 -11.761 6.954 -4.949 1.00 0.00 O ATOM 0 H GLY A 92 -8.698 5.879 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.822 4.180 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.041 5.463 -2.946 1.00 0.00 H new ATOM 1366 N GLN A 93 -12.732 5.831 -3.258 1.00 0.00 N ATOM 1367 CA GLN A 93 -14.038 6.402 -3.377 1.00 0.00 C ATOM 1368 C GLN A 93 -14.222 7.606 -2.519 1.00 0.00 C ATOM 1369 O GLN A 93 -13.333 8.015 -1.774 1.00 0.00 O ATOM 1370 CB GLN A 93 -15.086 5.318 -3.072 1.00 0.00 C ATOM 1371 CG GLN A 93 -14.976 4.118 -4.016 1.00 0.00 C ATOM 1372 CD GLN A 93 -15.914 2.981 -3.635 1.00 0.00 C ATOM 1373 OE1 GLN A 93 -15.490 1.920 -3.179 1.00 0.00 O ATOM 1374 NE2 GLN A 93 -17.241 3.184 -3.850 1.00 0.00 N ATOM 0 H GLN A 93 -12.649 5.198 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.167 6.755 -4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -14.966 4.979 -2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -16.084 5.749 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -15.197 4.440 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.949 3.752 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.566 4.073 -4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.912 2.447 -3.632 1.00 0.00 H new ATOM 1383 N SER A 94 -15.397 8.254 -2.610 1.00 0.00 N ATOM 1384 CA SER A 94 -15.699 9.475 -1.930 1.00 0.00 C ATOM 1385 C SER A 94 -16.186 9.230 -0.543 1.00 0.00 C ATOM 1386 O SER A 94 -17.040 8.363 -0.365 1.00 0.00 O ATOM 1387 CB SER A 94 -16.796 10.279 -2.646 1.00 0.00 C ATOM 1388 OG SER A 94 -17.024 11.556 -2.066 1.00 0.00 O ATOM 0 H SER A 94 -16.169 7.912 -3.182 1.00 0.00 H new ATOM 0 HA SER A 94 -14.763 10.034 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.519 10.407 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.725 9.709 -2.629 1.00 0.00 H new ATOM 0 HG SER A 94 -17.448 11.446 -1.190 1.00 0.00 H new ATOM 1394 N PRO A 95 -15.775 9.942 0.465 1.00 0.00 N ATOM 1395 CA PRO A 95 -16.505 10.015 1.697 1.00 0.00 C ATOM 1396 C PRO A 95 -17.684 10.919 1.611 1.00 0.00 C ATOM 1397 O PRO A 95 -17.901 11.556 0.581 1.00 0.00 O ATOM 1398 CB PRO A 95 -15.469 10.567 2.675 1.00 0.00 C ATOM 1399 CG PRO A 95 -14.620 11.520 1.819 1.00 0.00 C ATOM 1400 CD PRO A 95 -14.594 10.794 0.464 1.00 0.00 C ATOM 0 HA PRO A 95 -16.920 9.050 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.943 11.091 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.863 9.770 3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.069 12.510 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.619 11.655 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.621 11.503 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.684 10.205 0.350 1.00 0.00 H new ATOM 1408 N THR A 96 -18.482 11.008 2.690 1.00 0.00 N ATOM 1409 CA THR A 96 -19.608 11.879 2.825 1.00 0.00 C ATOM 1410 C THR A 96 -19.205 13.176 3.510 1.00 0.00 C ATOM 1411 O THR A 96 -19.247 14.263 2.874 1.00 0.00 O ATOM 1412 CB THR A 96 -20.723 11.262 3.617 1.00 0.00 C ATOM 1413 OG1 THR A 96 -20.267 10.799 4.879 1.00 0.00 O ATOM 1414 CG2 THR A 96 -21.280 10.043 2.863 1.00 0.00 C ATOM 1415 OXT THR A 96 -18.827 13.148 4.713 1.00 0.00 O ATOM 0 H THR A 96 -18.331 10.435 3.520 1.00 0.00 H new ATOM 0 HA THR A 96 -19.962 12.071 1.812 1.00 0.00 H new ATOM 0 HB THR A 96 -21.484 12.029 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 96 -19.611 11.430 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.090 9.597 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.659 10.358 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.487 9.309 2.723 1.00 0.00 H new TER 1423 THR A 96 ATOM 1424 N PHE B 1 -19.159 -20.885 16.886 1.00 0.00 N ATOM 1425 CA PHE B 1 -19.563 -21.062 15.473 1.00 0.00 C ATOM 1426 C PHE B 1 -18.708 -22.015 14.711 1.00 0.00 C ATOM 1427 O PHE B 1 -19.210 -22.957 14.102 1.00 0.00 O ATOM 1428 CB PHE B 1 -19.593 -19.717 14.727 1.00 0.00 C ATOM 1429 CG PHE B 1 -20.680 -18.826 15.221 1.00 0.00 C ATOM 1430 CD1 PHE B 1 -21.982 -19.046 14.834 1.00 0.00 C ATOM 1431 CD2 PHE B 1 -20.401 -17.778 16.065 1.00 0.00 C ATOM 1432 CE1 PHE B 1 -22.994 -18.235 15.290 1.00 0.00 C ATOM 1433 CE2 PHE B 1 -21.408 -16.968 16.533 1.00 0.00 C ATOM 1434 CZ PHE B 1 -22.708 -17.200 16.148 1.00 0.00 C ATOM 0 H1 PHE B 1 -19.329 -19.900 17.175 1.00 0.00 H new ATOM 0 H2 PHE B 1 -19.716 -21.524 17.489 1.00 0.00 H new ATOM 0 H3 PHE B 1 -18.148 -21.107 16.988 1.00 0.00 H new ATOM 0 HA PHE B 1 -20.564 -21.491 15.524 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -18.632 -19.216 14.845 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -19.729 -19.897 13.661 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -22.211 -19.863 14.166 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -19.380 -17.589 16.364 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -24.012 -18.411 14.975 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -21.179 -16.151 17.201 1.00 0.00 H new ATOM 0 HZ PHE B 1 -23.503 -16.570 16.519 1.00 0.00 H new ATOM 1446 N ALA B 2 -17.379 -21.804 14.681 1.00 0.00 N ATOM 1447 CA ALA B 2 -16.481 -22.572 13.875 1.00 0.00 C ATOM 1448 C ALA B 2 -15.813 -23.693 14.593 1.00 0.00 C ATOM 1449 O ALA B 2 -16.111 -24.850 14.305 1.00 0.00 O ATOM 1450 CB ALA B 2 -15.448 -21.625 13.242 1.00 0.00 C ATOM 0 H ALA B 2 -16.917 -21.080 15.232 1.00 0.00 H new ATOM 0 HA ALA B 2 -17.079 -23.058 13.105 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.758 -22.200 12.625 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.961 -20.889 12.623 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -14.892 -21.114 14.029 1.00 0.00 H new ATOM 1456 N ASP B 3 -14.875 -23.386 15.508 1.00 0.00 N ATOM 1457 CA ASP B 3 -13.991 -24.265 16.210 1.00 0.00 C ATOM 1458 C ASP B 3 -12.778 -24.568 15.401 1.00 0.00 C ATOM 1459 O ASP B 3 -12.719 -25.541 14.651 1.00 0.00 O ATOM 1460 CB ASP B 3 -14.613 -25.537 16.811 1.00 0.00 C ATOM 1461 CG ASP B 3 -15.776 -25.255 17.750 1.00 0.00 C ATOM 1462 OD1 ASP B 3 -15.949 -24.099 18.221 1.00 0.00 O ATOM 1463 OD2 ASP B 3 -16.538 -26.215 18.048 1.00 0.00 O ATOM 0 H ASP B 3 -14.722 -22.416 15.783 1.00 0.00 H new ATOM 0 HA ASP B 3 -13.706 -23.694 17.093 1.00 0.00 H new ATOM 0 HB2 ASP B 3 -14.957 -26.182 16.002 1.00 0.00 H new ATOM 0 HB3 ASP B 3 -13.844 -26.088 17.352 1.00 0.00 H new ATOM 1468 N SER B 4 -11.746 -23.711 15.497 1.00 0.00 N ATOM 1469 CA SER B 4 -10.640 -23.693 14.590 1.00 0.00 C ATOM 1470 C SER B 4 -9.324 -23.655 15.287 1.00 0.00 C ATOM 1471 O SER B 4 -9.219 -23.266 16.449 1.00 0.00 O ATOM 1472 CB SER B 4 -10.638 -22.435 13.705 1.00 0.00 C ATOM 1473 OG SER B 4 -11.867 -22.279 13.012 1.00 0.00 O ATOM 0 H SER B 4 -11.679 -23.006 16.231 1.00 0.00 H new ATOM 0 HA SER B 4 -10.763 -24.608 14.010 1.00 0.00 H new ATOM 0 HB2 SER B 4 -10.454 -21.556 14.323 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.820 -22.497 12.987 1.00 0.00 H new ATOM 0 HG SER B 4 -11.831 -21.469 12.461 1.00 0.00 H new ATOM 1479 N GLU B 5 -8.242 -24.013 14.573 1.00 0.00 N ATOM 1480 CA GLU B 5 -6.892 -23.748 14.961 1.00 0.00 C ATOM 1481 C GLU B 5 -6.351 -22.615 14.158 1.00 0.00 C ATOM 1482 O GLU B 5 -7.050 -22.029 13.333 1.00 0.00 O ATOM 1483 CB GLU B 5 -6.053 -25.036 14.890 1.00 0.00 C ATOM 1484 CG GLU B 5 -5.400 -25.443 16.213 1.00 0.00 C ATOM 1485 CD GLU B 5 -3.999 -24.890 16.434 1.00 0.00 C ATOM 1486 OE1 GLU B 5 -3.781 -23.657 16.284 1.00 0.00 O ATOM 1487 OE2 GLU B 5 -3.081 -25.692 16.749 1.00 0.00 O ATOM 0 H GLU B 5 -8.312 -24.510 13.685 1.00 0.00 H new ATOM 0 HA GLU B 5 -6.848 -23.429 16.002 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -6.691 -25.851 14.548 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -5.273 -24.905 14.140 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -6.038 -25.113 17.033 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.357 -26.531 16.260 1.00 0.00 H new ATOM 1494 N ALA B 6 -5.099 -22.190 14.403 1.00 0.00 N ATOM 1495 CA ALA B 6 -4.535 -20.977 13.899 1.00 0.00 C ATOM 1496 C ALA B 6 -3.621 -21.124 12.731 1.00 0.00 C ATOM 1497 O ALA B 6 -2.504 -21.624 12.853 1.00 0.00 O ATOM 1498 CB ALA B 6 -3.745 -20.312 15.038 1.00 0.00 C ATOM 0 H ALA B 6 -4.447 -22.720 14.982 1.00 0.00 H new ATOM 0 HA ALA B 6 -5.378 -20.385 13.543 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -3.303 -19.382 14.680 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -4.416 -20.098 15.870 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -2.955 -20.984 15.373 1.00 0.00 H new ATOM 1504 N ASP B 7 -4.008 -20.633 11.540 1.00 0.00 N ATOM 1505 CA ASP B 7 -3.167 -20.582 10.384 1.00 0.00 C ATOM 1506 C ASP B 7 -2.459 -19.273 10.303 1.00 0.00 C ATOM 1507 O ASP B 7 -2.878 -18.354 9.602 1.00 0.00 O ATOM 1508 CB ASP B 7 -3.988 -20.825 9.105 1.00 0.00 C ATOM 1509 CG ASP B 7 -4.435 -22.276 9.002 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -3.623 -23.106 8.514 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -5.595 -22.594 9.380 1.00 0.00 O ATOM 0 H ASP B 7 -4.942 -20.257 11.376 1.00 0.00 H new ATOM 0 HA ASP B 7 -2.421 -21.372 10.473 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -4.861 -20.172 9.101 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -3.391 -20.563 8.232 1.00 0.00 H new ATOM 1516 N GLU B 8 -1.338 -19.131 11.033 1.00 0.00 N ATOM 1517 CA GLU B 8 -0.448 -18.011 11.011 1.00 0.00 C ATOM 1518 C GLU B 8 -1.015 -16.706 11.454 1.00 0.00 C ATOM 1519 O GLU B 8 -2.105 -16.614 12.018 1.00 0.00 O ATOM 1520 CB GLU B 8 0.334 -17.920 9.690 1.00 0.00 C ATOM 1521 CG GLU B 8 1.088 -19.205 9.344 1.00 0.00 C ATOM 1522 CD GLU B 8 1.875 -19.071 8.049 1.00 0.00 C ATOM 1523 OE1 GLU B 8 2.859 -18.286 7.997 1.00 0.00 O ATOM 1524 OE2 GLU B 8 1.535 -19.778 7.062 1.00 0.00 O ATOM 0 H GLU B 8 -1.032 -19.852 11.686 1.00 0.00 H new ATOM 0 HA GLU B 8 0.268 -18.231 11.803 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -0.358 -17.684 8.882 1.00 0.00 H new ATOM 0 HB3 GLU B 8 1.044 -17.096 9.752 1.00 0.00 H new ATOM 0 HG2 GLU B 8 1.768 -19.457 10.158 1.00 0.00 H new ATOM 0 HG3 GLU B 8 0.380 -20.029 9.254 1.00 0.00 H new ATOM 1531 N ASN B 9 -0.260 -15.607 11.276 1.00 0.00 N ATOM 1532 CA ASN B 9 -0.623 -14.293 11.705 1.00 0.00 C ATOM 1533 C ASN B 9 -1.031 -13.441 10.553 1.00 0.00 C ATOM 1534 O ASN B 9 -0.241 -13.212 9.638 1.00 0.00 O ATOM 1535 CB ASN B 9 0.553 -13.588 12.402 1.00 0.00 C ATOM 1536 CG ASN B 9 0.933 -14.278 13.704 1.00 0.00 C ATOM 1537 OD1 ASN B 9 0.420 -13.949 14.772 1.00 0.00 O ATOM 1538 ND2 ASN B 9 1.887 -15.245 13.640 1.00 0.00 N ATOM 0 H ASN B 9 0.647 -15.637 10.810 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.455 -14.417 12.398 1.00 0.00 H new ATOM 0 HB2 ASN B 9 1.414 -13.572 11.734 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.287 -12.551 12.604 1.00 0.00 H new ATOM 0 HD21 ASN B 9 2.193 -15.716 14.491 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.296 -15.499 12.741 1.00 0.00 H new ATOM 1545 N GLU B 10 -2.266 -12.908 10.566 1.00 0.00 N ATOM 1546 CA GLU B 10 -2.738 -11.922 9.644 1.00 0.00 C ATOM 1547 C GLU B 10 -3.197 -10.753 10.445 1.00 0.00 C ATOM 1548 O GLU B 10 -4.170 -10.858 11.189 1.00 0.00 O ATOM 1549 CB GLU B 10 -3.917 -12.438 8.800 1.00 0.00 C ATOM 1550 CG GLU B 10 -3.692 -13.764 8.072 1.00 0.00 C ATOM 1551 CD GLU B 10 -2.671 -13.745 6.943 1.00 0.00 C ATOM 1552 OE1 GLU B 10 -2.298 -12.660 6.425 1.00 0.00 O ATOM 1553 OE2 GLU B 10 -2.227 -14.858 6.555 1.00 0.00 O ATOM 0 H GLU B 10 -2.970 -13.178 11.253 1.00 0.00 H new ATOM 0 HA GLU B 10 -1.932 -11.662 8.957 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -4.784 -12.547 9.452 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -4.168 -11.678 8.060 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -3.379 -14.508 8.804 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -4.647 -14.098 7.665 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.510 -9.598 10.384 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.682 -8.530 11.318 1.00 0.00 C ATOM 1562 C GLN B 11 -2.760 -7.193 10.665 1.00 0.00 C ATOM 1563 O GLN B 11 -3.280 -7.068 9.558 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.601 -8.625 12.407 1.00 0.00 C ATOM 1565 CG GLN B 11 -0.164 -8.648 11.879 1.00 0.00 C ATOM 1566 CD GLN B 11 0.883 -8.833 12.968 1.00 0.00 C ATOM 1567 OE1 GLN B 11 1.862 -8.094 13.041 1.00 0.00 O ATOM 1568 NE2 GLN B 11 0.695 -9.865 13.834 1.00 0.00 N ATOM 0 H GLN B 11 -1.815 -9.402 9.664 1.00 0.00 H new ATOM 0 HA GLN B 11 -3.653 -8.641 11.801 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.711 -7.779 13.085 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.773 -9.528 12.993 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.066 -9.454 11.152 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.035 -7.716 11.350 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.129 -10.460 13.747 1.00 0.00 H new ATOM 0 HE22 GLN B 11 1.378 -10.043 14.571 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.300 -6.119 11.332 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.404 -4.755 10.917 1.00 0.00 C ATOM 1579 C VAL B 12 -1.016 -4.217 10.855 1.00 0.00 C ATOM 1580 O VAL B 12 -0.146 -4.670 11.598 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.224 -3.949 11.880 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.480 -2.520 11.371 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.580 -4.637 12.111 1.00 0.00 C ATOM 0 H VAL B 12 -1.820 -6.213 12.227 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.901 -4.695 9.949 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.658 -3.886 12.809 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.078 -1.975 12.102 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.528 -2.009 11.227 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.016 -2.562 10.423 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.172 -4.048 12.811 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.113 -4.718 11.164 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.417 -5.633 12.522 1.00 0.00 H new ATOM 1593 N SER B 13 -0.713 -3.258 9.962 1.00 0.00 N ATOM 1594 CA SER B 13 0.608 -2.736 9.799 1.00 0.00 C ATOM 1595 C SER B 13 0.621 -1.256 9.625 1.00 0.00 C ATOM 1596 O SER B 13 -0.393 -0.611 9.366 1.00 0.00 O ATOM 1597 CB SER B 13 1.328 -3.289 8.558 1.00 0.00 C ATOM 1598 OG SER B 13 1.312 -4.709 8.518 1.00 0.00 O ATOM 0 H SER B 13 -1.402 -2.836 9.339 1.00 0.00 H new ATOM 0 HA SER B 13 1.114 -3.040 10.716 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.853 -2.896 7.659 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.360 -2.938 8.552 1.00 0.00 H new ATOM 0 HG SER B 13 0.500 -5.014 8.062 1.00 0.00 H new ATOM 1604 N ALA B 14 1.827 -0.671 9.743 1.00 0.00 N ATOM 1605 CA ALA B 14 2.190 0.634 9.286 1.00 0.00 C ATOM 1606 C ALA B 14 3.432 0.553 8.468 1.00 0.00 C ATOM 1607 O ALA B 14 4.313 -0.276 8.696 1.00 0.00 O ATOM 1608 CB ALA B 14 2.435 1.573 10.480 1.00 0.00 C ATOM 0 H ALA B 14 2.607 -1.149 10.193 1.00 0.00 H new ATOM 0 HA ALA B 14 1.373 1.029 8.682 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.710 2.562 10.114 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.526 1.647 11.077 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.242 1.176 11.095 1.00 0.00 H new ATOM 1614 N VAL B 15 3.546 1.431 7.455 1.00 0.00 N ATOM 1615 CA VAL B 15 4.704 1.691 6.657 1.00 0.00 C ATOM 1616 C VAL B 15 4.526 3.112 6.142 1.00 0.00 C ATOM 1617 O VAL B 15 3.365 3.539 5.901 1.00 0.00 O ATOM 1618 CB VAL B 15 4.937 0.695 5.560 1.00 0.00 C ATOM 1619 CG1 VAL B 15 3.825 0.698 4.499 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.292 0.962 4.882 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.547 3.839 6.011 1.00 0.00 O ATOM 0 H VAL B 15 2.756 2.010 7.171 1.00 0.00 H new ATOM 0 HA VAL B 15 5.608 1.588 7.257 1.00 0.00 H new ATOM 0 HB VAL B 15 4.935 -0.289 6.028 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.051 -0.043 3.733 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.872 0.455 4.970 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.762 1.685 4.041 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.451 0.233 4.087 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.296 1.967 4.459 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.091 0.876 5.619 1.00 0.00 H new TER 1631 VAL B 15