USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 952 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 133 GLN : amide:sc= -1.49! K(o=-1.7!,f=0.92) USER MOD Set 1.2: A 137 THR OG1 : rot 180:sc= -0.209 USER MOD Set 2.1: A 131 ASN : amide:sc= -0.493! K(o=-0.063!,f=1.2) USER MOD Set 2.2: A 134 SER OG : rot -130:sc= 0.43 USER MOD Set 3.1: A 46 HIS : no HD1:sc= -3.21 K(o=-14,f=-23!) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.562 X(o=-14,f=-14) USER MOD Set 3.3: A 63 HIS : no HE2:sc= -4.59 K(o=-14,f=-19!) USER MOD Set 3.4: A 71 HIS : no HD1:sc= -2.7! C(o=-14!,f=-23!) USER MOD Set 3.5: A 80 HIS : no HD1:sc= -1.94 K(o=-14,f=-17) USER MOD Set 3.6: A 120 HIS : no HE2:sc= -0.625 K(o=-14,f=-14!) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 139:sc= 1.89 (180deg=0.688) USER MOD Set 4.2: A 98 SER OG : rot 180:sc= 0.734 USER MOD Set 5.1: A 65 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.89) USER MOD Set 5.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 9 LYS NZ :NH3+ -170:sc= 0.973 (180deg=0) USER MOD Set 6.2: A 15 GLN : amide:sc= 0.968 K(o=1.9,f=-8.8!) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00134) USER MOD Single : A 19 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.3) USER MOD Single : A 34 SER OG : rot 41:sc= 0.116 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc=-0.00564 (180deg=-0.109) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -2.04 K(o=-2,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.92) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 0.48 (180deg=-0.669!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 105 SER OG : rot 36:sc= 1.01 USER MOD Single : A 110 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.07) USER MOD Single : A 111 SER OG : rot -86:sc= 0.183 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0.823) USER MOD Single : A 128 LYS NZ :NH3+ -144:sc= 0.691 (180deg=-0.775) USER MOD Single : A 135 THR OG1 : rot 17:sc= 1.12 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= 1.27 K(o=1.3,f=-1.2!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 12.439 6.510 10.695 1.00 0.00 N ATOM 28 CA LYS A 3 11.486 5.770 9.890 1.00 0.00 C ATOM 29 C LYS A 3 10.058 6.182 10.257 1.00 0.00 C ATOM 30 O LYS A 3 9.795 6.566 11.399 1.00 0.00 O ATOM 31 CB LYS A 3 11.756 4.263 10.026 1.00 0.00 C ATOM 32 CG LYS A 3 11.525 3.655 11.420 1.00 0.00 C ATOM 33 CD LYS A 3 10.501 2.514 11.308 1.00 0.00 C ATOM 34 CE LYS A 3 10.087 1.898 12.651 1.00 0.00 C ATOM 35 NZ LYS A 3 11.230 1.408 13.443 1.00 0.00 N ATOM 0 HA LYS A 3 11.606 6.011 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.122 3.736 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.789 4.072 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.464 3.279 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.163 4.419 12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.610 2.890 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.917 1.730 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.543 2.642 13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.400 1.072 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.884 0.989 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.747 0.688 12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.867 2.201 13.661 1.00 0.00 H new ATOM 49 N ALA A 4 9.131 6.109 9.300 1.00 0.00 N ATOM 50 CA ALA A 4 7.712 6.286 9.586 1.00 0.00 C ATOM 51 C ALA A 4 7.100 4.945 9.953 1.00 0.00 C ATOM 52 O ALA A 4 7.682 3.905 9.651 1.00 0.00 O ATOM 53 CB ALA A 4 6.965 6.892 8.399 1.00 0.00 C ATOM 0 H ALA A 4 9.342 5.928 8.319 1.00 0.00 H new ATOM 0 HA ALA A 4 7.619 6.980 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.911 7.008 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.390 7.867 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.060 6.234 7.535 1.00 0.00 H new ATOM 59 N VAL A 5 5.914 4.982 10.555 1.00 0.00 N ATOM 60 CA VAL A 5 5.064 3.853 10.872 1.00 0.00 C ATOM 61 C VAL A 5 3.656 4.199 10.381 1.00 0.00 C ATOM 62 O VAL A 5 3.275 5.373 10.424 1.00 0.00 O ATOM 63 CB VAL A 5 5.129 3.556 12.385 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.755 4.770 13.247 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.257 2.364 12.799 1.00 0.00 C ATOM 0 H VAL A 5 5.499 5.865 10.852 1.00 0.00 H new ATOM 0 HA VAL A 5 5.391 2.939 10.376 1.00 0.00 H new ATOM 0 HB VAL A 5 6.174 3.304 12.567 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.819 4.501 14.301 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.443 5.590 13.039 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.737 5.083 13.013 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.345 2.205 13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.217 2.569 12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.589 1.470 12.272 1.00 0.00 H new ATOM 75 N ALA A 6 2.883 3.211 9.911 1.00 0.00 N ATOM 76 CA ALA A 6 1.451 3.398 9.701 1.00 0.00 C ATOM 77 C ALA A 6 0.706 2.200 10.273 1.00 0.00 C ATOM 78 O ALA A 6 0.835 1.089 9.760 1.00 0.00 O ATOM 79 CB ALA A 6 1.129 3.626 8.223 1.00 0.00 C ATOM 0 H ALA A 6 3.228 2.281 9.672 1.00 0.00 H new ATOM 0 HA ALA A 6 1.121 4.296 10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.054 3.762 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.649 4.517 7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.454 2.762 7.642 1.00 0.00 H new ATOM 85 N VAL A 7 -0.040 2.415 11.358 1.00 0.00 N ATOM 86 CA VAL A 7 -0.835 1.387 11.989 1.00 0.00 C ATOM 87 C VAL A 7 -2.173 1.261 11.255 1.00 0.00 C ATOM 88 O VAL A 7 -3.107 2.028 11.475 1.00 0.00 O ATOM 89 CB VAL A 7 -0.946 1.654 13.501 1.00 0.00 C ATOM 90 CG1 VAL A 7 0.451 1.776 14.125 1.00 0.00 C ATOM 91 CG2 VAL A 7 -1.775 2.884 13.904 1.00 0.00 C ATOM 0 H VAL A 7 -0.103 3.322 11.820 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.355 0.412 11.909 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.488 0.790 13.885 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.357 1.965 15.194 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.002 0.849 13.967 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.988 2.601 13.657 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.786 2.976 14.990 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.332 3.780 13.469 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.796 2.770 13.539 1.00 0.00 H new ATOM 101 N LEU A 8 -2.263 0.294 10.348 1.00 0.00 N ATOM 102 CA LEU A 8 -3.511 -0.096 9.731 1.00 0.00 C ATOM 103 C LEU A 8 -4.457 -0.650 10.789 1.00 0.00 C ATOM 104 O LEU A 8 -4.014 -1.395 11.664 1.00 0.00 O ATOM 105 CB LEU A 8 -3.243 -1.125 8.621 1.00 0.00 C ATOM 106 CG LEU A 8 -3.134 -0.398 7.276 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.881 0.481 7.251 1.00 0.00 C ATOM 108 CD2 LEU A 8 -3.101 -1.437 6.161 1.00 0.00 C ATOM 0 H LEU A 8 -1.459 -0.242 10.022 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.986 0.774 9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.323 -1.671 8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.048 -1.859 8.587 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.996 0.254 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.814 0.992 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.938 1.218 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.997 -0.141 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.024 -0.934 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.240 -2.092 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.016 -2.029 6.189 1.00 0.00 H new ATOM 120 N LYS A 9 -5.745 -0.310 10.678 1.00 0.00 N ATOM 121 CA LYS A 9 -6.837 -0.910 11.429 1.00 0.00 C ATOM 122 C LYS A 9 -8.028 -0.999 10.471 1.00 0.00 C ATOM 123 O LYS A 9 -8.130 -0.172 9.564 1.00 0.00 O ATOM 124 CB LYS A 9 -7.156 -0.030 12.649 1.00 0.00 C ATOM 125 CG LYS A 9 -8.090 -0.689 13.680 1.00 0.00 C ATOM 126 CD LYS A 9 -7.460 -1.843 14.479 1.00 0.00 C ATOM 127 CE LYS A 9 -6.266 -1.373 15.328 1.00 0.00 C ATOM 128 NZ LYS A 9 -5.836 -2.378 16.324 1.00 0.00 N ATOM 0 H LYS A 9 -6.061 0.418 10.037 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.586 -1.903 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.222 0.239 13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.613 0.898 12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.432 0.074 14.379 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.972 -1.064 13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.214 -2.288 15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.131 -2.623 13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.429 -1.140 14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.534 -0.450 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.148 -1.949 16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.662 -2.709 16.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.395 -3.184 15.836 1.00 0.00 H new ATOM 142 N GLY A 10 -8.903 -1.995 10.634 1.00 0.00 N ATOM 143 CA GLY A 10 -10.140 -2.104 9.880 1.00 0.00 C ATOM 144 C GLY A 10 -11.341 -2.154 10.813 1.00 0.00 C ATOM 145 O GLY A 10 -11.211 -1.948 12.018 1.00 0.00 O ATOM 0 H GLY A 10 -8.764 -2.753 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.235 -1.254 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.116 -3.002 9.262 1.00 0.00 H new ATOM 149 N ASP A 11 -12.506 -2.454 10.235 1.00 0.00 N ATOM 150 CA ASP A 11 -13.727 -2.738 10.975 1.00 0.00 C ATOM 151 C ASP A 11 -13.501 -3.904 11.943 1.00 0.00 C ATOM 152 O ASP A 11 -13.912 -3.859 13.100 1.00 0.00 O ATOM 153 CB ASP A 11 -14.839 -3.076 9.975 1.00 0.00 C ATOM 154 CG ASP A 11 -16.076 -3.603 10.686 1.00 0.00 C ATOM 155 OD1 ASP A 11 -16.876 -2.756 11.134 1.00 0.00 O ATOM 156 OD2 ASP A 11 -16.191 -4.845 10.761 1.00 0.00 O ATOM 0 H ASP A 11 -12.624 -2.506 9.223 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.016 -1.866 11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.098 -2.187 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.479 -3.821 9.265 1.00 0.00 H new ATOM 161 N GLY A 12 -12.819 -4.944 11.457 1.00 0.00 N ATOM 162 CA GLY A 12 -12.561 -6.146 12.211 1.00 0.00 C ATOM 163 C GLY A 12 -11.177 -6.054 12.842 1.00 0.00 C ATOM 164 O GLY A 12 -10.583 -4.980 12.921 1.00 0.00 O ATOM 0 H GLY A 12 -12.430 -4.963 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.319 -6.274 12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.620 -7.018 11.560 1.00 0.00 H new ATOM 168 N PRO A 13 -10.614 -7.196 13.251 1.00 0.00 N ATOM 169 CA PRO A 13 -9.334 -7.239 13.929 1.00 0.00 C ATOM 170 C PRO A 13 -8.161 -7.049 12.957 1.00 0.00 C ATOM 171 O PRO A 13 -7.014 -7.001 13.398 1.00 0.00 O ATOM 172 CB PRO A 13 -9.312 -8.599 14.630 1.00 0.00 C ATOM 173 CG PRO A 13 -10.181 -9.483 13.731 1.00 0.00 C ATOM 174 CD PRO A 13 -11.196 -8.516 13.115 1.00 0.00 C ATOM 0 HA PRO A 13 -9.218 -6.423 14.642 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.298 -8.989 14.716 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.716 -8.536 15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.585 -9.976 12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.676 -10.267 14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.380 -8.757 12.068 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -12.155 -8.576 13.629 1.00 0.00 H new ATOM 182 N VAL A 14 -8.444 -6.922 11.653 1.00 0.00 N ATOM 183 CA VAL A 14 -7.482 -6.564 10.626 1.00 0.00 C ATOM 184 C VAL A 14 -6.698 -5.342 11.074 1.00 0.00 C ATOM 185 O VAL A 14 -7.259 -4.254 11.210 1.00 0.00 O ATOM 186 CB VAL A 14 -8.188 -6.306 9.282 1.00 0.00 C ATOM 187 CG1 VAL A 14 -7.146 -6.245 8.155 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.220 -7.396 8.969 1.00 0.00 C ATOM 0 H VAL A 14 -9.382 -7.073 11.282 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.790 -7.393 10.478 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.714 -5.354 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.648 -6.062 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.441 -5.438 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.608 -7.192 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.698 -7.181 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.722 -8.364 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.975 -7.419 9.755 1.00 0.00 H new ATOM 198 N GLN A 15 -5.398 -5.533 11.304 1.00 0.00 N ATOM 199 CA GLN A 15 -4.518 -4.439 11.682 1.00 0.00 C ATOM 200 C GLN A 15 -3.117 -4.707 11.166 1.00 0.00 C ATOM 201 O GLN A 15 -2.777 -5.870 10.978 1.00 0.00 O ATOM 202 CB GLN A 15 -4.542 -4.270 13.204 1.00 0.00 C ATOM 203 CG GLN A 15 -3.843 -5.433 13.920 1.00 0.00 C ATOM 204 CD GLN A 15 -4.483 -5.684 15.279 1.00 0.00 C ATOM 205 OE1 GLN A 15 -4.666 -4.747 16.056 1.00 0.00 O ATOM 206 NE2 GLN A 15 -4.865 -6.923 15.567 1.00 0.00 N ATOM 0 H GLN A 15 -4.935 -6.439 11.233 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.863 -3.507 11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.055 -3.333 13.473 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.575 -4.202 13.545 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.906 -6.334 13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.784 -5.207 14.046 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.698 -7.676 14.900 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.326 -7.121 16.455 1.00 0.00 H new ATOM 215 N GLY A 16 -2.309 -3.673 10.928 1.00 0.00 N ATOM 216 CA GLY A 16 -0.967 -3.892 10.392 1.00 0.00 C ATOM 217 C GLY A 16 -0.004 -2.750 10.671 1.00 0.00 C ATOM 218 O GLY A 16 -0.293 -1.610 10.334 1.00 0.00 O ATOM 0 H GLY A 16 -2.553 -2.697 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.561 -4.810 10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.036 -4.043 9.315 1.00 0.00 H new ATOM 222 N ILE A 17 1.151 -3.046 11.266 1.00 0.00 N ATOM 223 CA ILE A 17 2.159 -2.055 11.594 1.00 0.00 C ATOM 224 C ILE A 17 3.098 -1.907 10.393 1.00 0.00 C ATOM 225 O ILE A 17 4.088 -2.631 10.275 1.00 0.00 O ATOM 226 CB ILE A 17 2.876 -2.459 12.897 1.00 0.00 C ATOM 227 CG1 ILE A 17 1.871 -2.643 14.054 1.00 0.00 C ATOM 228 CG2 ILE A 17 3.878 -1.367 13.288 1.00 0.00 C ATOM 229 CD1 ILE A 17 1.513 -4.113 14.301 1.00 0.00 C ATOM 0 H ILE A 17 1.410 -3.995 11.535 1.00 0.00 H new ATOM 0 HA ILE A 17 1.717 -1.077 11.784 1.00 0.00 H new ATOM 0 HB ILE A 17 3.388 -3.405 12.721 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.291 -2.218 14.965 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.962 -2.085 13.832 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.386 -1.652 14.210 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.613 -1.245 12.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.349 -0.426 13.441 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.803 -4.181 15.125 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.065 -4.535 13.401 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.416 -4.670 14.552 1.00 0.00 H new ATOM 241 N ILE A 18 2.770 -0.983 9.486 1.00 0.00 N ATOM 242 CA ILE A 18 3.619 -0.630 8.354 1.00 0.00 C ATOM 243 C ILE A 18 4.733 0.277 8.836 1.00 0.00 C ATOM 244 O ILE A 18 4.578 0.927 9.863 1.00 0.00 O ATOM 245 CB ILE A 18 2.803 0.086 7.273 1.00 0.00 C ATOM 246 CG1 ILE A 18 1.593 -0.754 6.855 1.00 0.00 C ATOM 247 CG2 ILE A 18 3.669 0.467 6.059 1.00 0.00 C ATOM 248 CD1 ILE A 18 2.028 -2.119 6.350 1.00 0.00 C ATOM 0 H ILE A 18 1.898 -0.456 9.521 1.00 0.00 H new ATOM 0 HA ILE A 18 4.038 -1.540 7.925 1.00 0.00 H new ATOM 0 HB ILE A 18 2.434 1.016 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.918 -0.874 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.036 -0.234 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.052 0.972 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.471 1.133 6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.099 -0.434 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.150 -2.696 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.683 -1.996 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.563 -2.646 7.140 1.00 0.00 H new ATOM 260 N ASN A 19 5.834 0.323 8.086 1.00 0.00 N ATOM 261 CA ASN A 19 7.063 1.007 8.414 1.00 0.00 C ATOM 262 C ASN A 19 7.673 1.506 7.104 1.00 0.00 C ATOM 263 O ASN A 19 7.685 0.769 6.118 1.00 0.00 O ATOM 264 CB ASN A 19 8.051 0.063 9.117 1.00 0.00 C ATOM 265 CG ASN A 19 7.403 -0.841 10.160 1.00 0.00 C ATOM 266 OD1 ASN A 19 7.496 -0.591 11.358 1.00 0.00 O ATOM 267 ND2 ASN A 19 6.731 -1.892 9.690 1.00 0.00 N ATOM 0 H ASN A 19 5.884 -0.147 7.182 1.00 0.00 H new ATOM 0 HA ASN A 19 6.856 1.833 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.542 -0.557 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.828 0.658 9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.266 -2.530 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.682 -2.058 8.685 1.00 0.00 H new ATOM 274 N PHE A 20 8.169 2.743 7.096 1.00 0.00 N ATOM 275 CA PHE A 20 8.912 3.328 5.987 1.00 0.00 C ATOM 276 C PHE A 20 10.279 3.776 6.496 1.00 0.00 C ATOM 277 O PHE A 20 10.361 4.842 7.103 1.00 0.00 O ATOM 278 CB PHE A 20 8.163 4.545 5.435 1.00 0.00 C ATOM 279 CG PHE A 20 6.850 4.235 4.747 1.00 0.00 C ATOM 280 CD1 PHE A 20 5.675 3.982 5.477 1.00 0.00 C ATOM 281 CD2 PHE A 20 6.811 4.231 3.345 1.00 0.00 C ATOM 282 CE1 PHE A 20 4.479 3.684 4.797 1.00 0.00 C ATOM 283 CE2 PHE A 20 5.626 3.914 2.663 1.00 0.00 C ATOM 284 CZ PHE A 20 4.465 3.618 3.392 1.00 0.00 C ATOM 0 H PHE A 20 8.060 3.381 7.884 1.00 0.00 H new ATOM 0 HA PHE A 20 9.023 2.587 5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.971 5.236 6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.812 5.062 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.690 4.016 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.702 4.474 2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.571 3.506 5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.608 3.898 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.559 3.339 2.874 1.00 0.00 H new ATOM 294 N GLU A 21 11.333 2.991 6.256 1.00 0.00 N ATOM 295 CA GLU A 21 12.704 3.412 6.528 1.00 0.00 C ATOM 296 C GLU A 21 13.179 4.331 5.409 1.00 0.00 C ATOM 297 O GLU A 21 12.673 4.250 4.292 1.00 0.00 O ATOM 298 CB GLU A 21 13.651 2.204 6.662 1.00 0.00 C ATOM 299 CG GLU A 21 14.258 2.066 8.071 1.00 0.00 C ATOM 300 CD GLU A 21 15.306 3.129 8.411 1.00 0.00 C ATOM 301 OE1 GLU A 21 15.076 4.317 8.085 1.00 0.00 O ATOM 302 OE2 GLU A 21 16.330 2.741 9.010 1.00 0.00 O ATOM 0 H GLU A 21 11.257 2.050 5.869 1.00 0.00 H new ATOM 0 HA GLU A 21 12.719 3.947 7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.105 1.293 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.456 2.299 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.455 2.116 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.714 1.080 8.163 1.00 0.00 H new ATOM 395 N PRO A 28 17.003 5.983 -0.940 1.00 0.00 N ATOM 396 CA PRO A 28 15.908 5.065 -1.211 1.00 0.00 C ATOM 397 C PRO A 28 15.165 4.711 0.078 1.00 0.00 C ATOM 398 O PRO A 28 15.788 4.399 1.091 1.00 0.00 O ATOM 399 CB PRO A 28 16.557 3.838 -1.860 1.00 0.00 C ATOM 400 CG PRO A 28 17.983 3.857 -1.308 1.00 0.00 C ATOM 401 CD PRO A 28 18.286 5.350 -1.196 1.00 0.00 C ATOM 0 HA PRO A 28 15.157 5.501 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 28 16.035 2.919 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.546 3.906 -2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.049 3.358 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.681 3.352 -1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.991 5.549 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.736 5.730 -2.113 1.00 0.00 H new ATOM 409 N VAL A 29 13.833 4.747 0.033 1.00 0.00 N ATOM 410 CA VAL A 29 12.990 4.331 1.134 1.00 0.00 C ATOM 411 C VAL A 29 12.850 2.812 1.095 1.00 0.00 C ATOM 412 O VAL A 29 12.804 2.225 0.015 1.00 0.00 O ATOM 413 CB VAL A 29 11.635 5.054 1.041 1.00 0.00 C ATOM 414 CG1 VAL A 29 10.488 4.331 1.750 1.00 0.00 C ATOM 415 CG2 VAL A 29 11.759 6.451 1.640 1.00 0.00 C ATOM 0 H VAL A 29 13.312 5.071 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 29 13.432 4.601 2.093 1.00 0.00 H new ATOM 0 HB VAL A 29 11.389 5.085 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.569 4.907 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.354 3.343 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.723 4.228 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.799 6.962 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.057 6.373 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.510 7.017 1.090 1.00 0.00 H new ATOM 425 N LYS A 30 12.754 2.200 2.280 1.00 0.00 N ATOM 426 CA LYS A 30 12.466 0.789 2.502 1.00 0.00 C ATOM 427 C LYS A 30 11.061 0.719 3.100 1.00 0.00 C ATOM 428 O LYS A 30 10.872 1.049 4.270 1.00 0.00 O ATOM 429 CB LYS A 30 13.527 0.178 3.443 1.00 0.00 C ATOM 430 CG LYS A 30 14.267 -1.000 2.798 1.00 0.00 C ATOM 431 CD LYS A 30 13.445 -2.307 2.764 1.00 0.00 C ATOM 432 CE LYS A 30 13.637 -2.909 1.372 1.00 0.00 C ATOM 433 NZ LYS A 30 13.107 -4.272 1.154 1.00 0.00 N ATOM 0 H LYS A 30 12.883 2.709 3.155 1.00 0.00 H new ATOM 0 HA LYS A 30 12.504 0.214 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.247 0.947 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.045 -0.157 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.544 -0.729 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.193 -1.178 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.785 -2.998 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.391 -2.107 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.169 -2.243 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.704 -2.921 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.658 -4.324 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.886 -4.959 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.404 -4.493 1.888 1.00 0.00 H new ATOM 447 N VAL A 31 10.077 0.318 2.297 1.00 0.00 N ATOM 448 CA VAL A 31 8.702 0.140 2.729 1.00 0.00 C ATOM 449 C VAL A 31 8.592 -1.280 3.260 1.00 0.00 C ATOM 450 O VAL A 31 9.029 -2.206 2.579 1.00 0.00 O ATOM 451 CB VAL A 31 7.774 0.339 1.523 1.00 0.00 C ATOM 452 CG1 VAL A 31 6.302 0.151 1.899 1.00 0.00 C ATOM 453 CG2 VAL A 31 7.981 1.733 0.936 1.00 0.00 C ATOM 0 H VAL A 31 10.221 0.105 1.310 1.00 0.00 H new ATOM 0 HA VAL A 31 8.419 0.856 3.500 1.00 0.00 H new ATOM 0 HB VAL A 31 8.028 -0.418 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.679 0.301 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.151 -0.858 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.027 0.876 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.320 1.869 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.754 2.484 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.017 1.843 0.615 1.00 0.00 H new ATOM 463 N TRP A 32 8.019 -1.485 4.445 1.00 0.00 N ATOM 464 CA TRP A 32 7.852 -2.834 4.958 1.00 0.00 C ATOM 465 C TRP A 32 6.776 -2.850 6.028 1.00 0.00 C ATOM 466 O TRP A 32 6.526 -1.848 6.692 1.00 0.00 O ATOM 467 CB TRP A 32 9.185 -3.428 5.458 1.00 0.00 C ATOM 468 CG TRP A 32 9.407 -3.437 6.938 1.00 0.00 C ATOM 469 CD1 TRP A 32 8.898 -4.347 7.800 1.00 0.00 C ATOM 470 CD2 TRP A 32 10.173 -2.502 7.752 1.00 0.00 C ATOM 471 NE1 TRP A 32 9.259 -4.018 9.088 1.00 0.00 N ATOM 472 CE2 TRP A 32 10.053 -2.894 9.119 1.00 0.00 C ATOM 473 CE3 TRP A 32 10.936 -1.346 7.478 1.00 0.00 C ATOM 474 CZ2 TRP A 32 10.663 -2.180 10.162 1.00 0.00 C ATOM 475 CZ3 TRP A 32 11.557 -0.629 8.517 1.00 0.00 C ATOM 476 CH2 TRP A 32 11.436 -1.051 9.852 1.00 0.00 C ATOM 0 H TRP A 32 7.670 -0.746 5.055 1.00 0.00 H new ATOM 0 HA TRP A 32 7.526 -3.478 4.141 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.256 -4.454 5.098 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.000 -2.871 4.996 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.300 -5.202 7.521 1.00 0.00 H new ATOM 0 HE1 TRP A 32 8.974 -4.542 9.915 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.044 -1.008 6.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.539 -2.495 11.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.133 0.255 8.286 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.938 -0.507 10.639 1.00 0.00 H new ATOM 487 N GLY A 33 6.129 -3.989 6.218 1.00 0.00 N ATOM 488 CA GLY A 33 5.008 -4.050 7.139 1.00 0.00 C ATOM 489 C GLY A 33 4.542 -5.467 7.350 1.00 0.00 C ATOM 490 O GLY A 33 5.156 -6.380 6.810 1.00 0.00 O ATOM 0 H GLY A 33 6.356 -4.869 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.298 -3.615 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.185 -3.449 6.752 1.00 0.00 H new ATOM 494 N SER A 34 3.474 -5.646 8.129 1.00 0.00 N ATOM 495 CA SER A 34 3.005 -6.959 8.519 1.00 0.00 C ATOM 496 C SER A 34 1.562 -6.794 8.973 1.00 0.00 C ATOM 497 O SER A 34 1.312 -6.283 10.065 1.00 0.00 O ATOM 498 CB SER A 34 3.927 -7.538 9.601 1.00 0.00 C ATOM 499 OG SER A 34 4.200 -6.592 10.622 1.00 0.00 O ATOM 0 H SER A 34 2.916 -4.879 8.503 1.00 0.00 H new ATOM 0 HA SER A 34 3.032 -7.674 7.697 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.463 -8.422 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.863 -7.862 9.146 1.00 0.00 H new ATOM 0 HG SER A 34 3.381 -6.100 10.840 1.00 0.00 H new ATOM 505 N ILE A 35 0.605 -7.139 8.109 1.00 0.00 N ATOM 506 CA ILE A 35 -0.792 -7.127 8.527 1.00 0.00 C ATOM 507 C ILE A 35 -1.048 -8.319 9.444 1.00 0.00 C ATOM 508 O ILE A 35 -0.236 -9.234 9.523 1.00 0.00 O ATOM 509 CB ILE A 35 -1.757 -7.057 7.327 1.00 0.00 C ATOM 510 CG1 ILE A 35 -2.882 -6.019 7.519 1.00 0.00 C ATOM 511 CG2 ILE A 35 -2.420 -8.388 6.981 1.00 0.00 C ATOM 512 CD1 ILE A 35 -2.731 -4.868 6.532 1.00 0.00 C ATOM 0 H ILE A 35 0.767 -7.422 7.143 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.993 -6.218 9.094 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.104 -6.760 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.852 -6.497 7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.858 -5.635 8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.083 -8.253 6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.654 -9.123 6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.997 -8.740 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.535 -4.149 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.770 -4.378 6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.779 -5.253 5.514 1.00 0.00 H new ATOM 524 N LYS A 36 -2.187 -8.316 10.121 1.00 0.00 N ATOM 525 CA LYS A 36 -2.627 -9.386 10.983 1.00 0.00 C ATOM 526 C LYS A 36 -4.149 -9.322 10.963 1.00 0.00 C ATOM 527 O LYS A 36 -4.774 -8.634 11.766 1.00 0.00 O ATOM 528 CB LYS A 36 -2.013 -9.192 12.373 1.00 0.00 C ATOM 529 CG LYS A 36 -1.626 -10.498 13.077 1.00 0.00 C ATOM 530 CD LYS A 36 -2.832 -11.391 13.413 1.00 0.00 C ATOM 531 CE LYS A 36 -2.499 -12.333 14.580 1.00 0.00 C ATOM 532 NZ LYS A 36 -2.464 -11.620 15.875 1.00 0.00 N ATOM 0 H LYS A 36 -2.847 -7.540 10.079 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.308 -10.377 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.126 -8.565 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.723 -8.651 12.999 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.937 -11.054 12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.091 -10.262 13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.690 -10.770 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.115 -11.975 12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.241 -13.130 14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.533 -12.806 14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.491 -12.310 16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.590 -11.060 15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.287 -10.988 15.945 1.00 0.00 H new ATOM 546 N GLY A 37 -4.725 -10.007 9.980 1.00 0.00 N ATOM 547 CA GLY A 37 -6.162 -10.209 9.866 1.00 0.00 C ATOM 548 C GLY A 37 -6.661 -10.386 8.429 1.00 0.00 C ATOM 549 O GLY A 37 -7.867 -10.413 8.202 1.00 0.00 O ATOM 0 H GLY A 37 -4.194 -10.445 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.441 -11.089 10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.674 -9.357 10.314 1.00 0.00 H new ATOM 553 N LEU A 38 -5.758 -10.475 7.448 1.00 0.00 N ATOM 554 CA LEU A 38 -6.106 -10.744 6.067 1.00 0.00 C ATOM 555 C LEU A 38 -6.526 -12.213 5.905 1.00 0.00 C ATOM 556 O LEU A 38 -6.850 -12.893 6.873 1.00 0.00 O ATOM 557 CB LEU A 38 -4.897 -10.336 5.194 1.00 0.00 C ATOM 558 CG LEU A 38 -5.229 -9.159 4.272 1.00 0.00 C ATOM 559 CD1 LEU A 38 -5.696 -7.877 4.978 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.049 -8.831 3.347 1.00 0.00 C ATOM 0 H LEU A 38 -4.756 -10.360 7.602 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.968 -10.161 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.059 -10.068 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.578 -11.188 4.594 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.085 -9.510 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.904 -7.108 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.601 -8.085 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.914 -7.528 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.313 -7.992 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.178 -8.568 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.816 -9.700 2.732 1.00 0.00 H new ATOM 572 N THR A 39 -6.515 -12.712 4.672 1.00 0.00 N ATOM 573 CA THR A 39 -6.644 -14.122 4.365 1.00 0.00 C ATOM 574 C THR A 39 -5.678 -14.378 3.218 1.00 0.00 C ATOM 575 O THR A 39 -5.243 -13.414 2.583 1.00 0.00 O ATOM 576 CB THR A 39 -8.098 -14.454 4.006 1.00 0.00 C ATOM 577 OG1 THR A 39 -8.259 -15.847 3.855 1.00 0.00 O ATOM 578 CG2 THR A 39 -8.561 -13.753 2.722 1.00 0.00 C ATOM 0 H THR A 39 -6.413 -12.127 3.842 1.00 0.00 H new ATOM 0 HA THR A 39 -6.400 -14.764 5.211 1.00 0.00 H new ATOM 0 HB THR A 39 -8.714 -14.090 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.191 -16.046 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.597 -14.022 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.485 -12.673 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.930 -14.065 1.889 1.00 0.00 H new ATOM 586 N GLU A 40 -5.342 -15.643 2.974 1.00 0.00 N ATOM 587 CA GLU A 40 -4.392 -16.022 1.953 1.00 0.00 C ATOM 588 C GLU A 40 -4.780 -15.442 0.592 1.00 0.00 C ATOM 589 O GLU A 40 -5.963 -15.302 0.278 1.00 0.00 O ATOM 590 CB GLU A 40 -4.275 -17.546 1.890 1.00 0.00 C ATOM 591 CG GLU A 40 -5.634 -18.263 1.856 1.00 0.00 C ATOM 592 CD GLU A 40 -5.613 -19.440 0.888 1.00 0.00 C ATOM 593 OE1 GLU A 40 -4.778 -20.341 1.117 1.00 0.00 O ATOM 594 OE2 GLU A 40 -6.412 -19.402 -0.072 1.00 0.00 O ATOM 0 H GLU A 40 -5.730 -16.434 3.489 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.418 -15.608 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.705 -17.823 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.710 -17.895 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.887 -18.616 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.412 -17.559 1.560 1.00 0.00 H new ATOM 601 N GLY A 41 -3.778 -15.083 -0.212 1.00 0.00 N ATOM 602 CA GLY A 41 -3.993 -14.518 -1.531 1.00 0.00 C ATOM 603 C GLY A 41 -3.353 -13.148 -1.518 1.00 0.00 C ATOM 604 O GLY A 41 -2.417 -12.935 -0.749 1.00 0.00 O ATOM 0 H GLY A 41 -2.794 -15.179 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.547 -15.148 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.058 -14.447 -1.754 1.00 0.00 H new ATOM 608 N LEU A 42 -3.842 -12.221 -2.344 1.00 0.00 N ATOM 609 CA LEU A 42 -3.198 -10.930 -2.533 1.00 0.00 C ATOM 610 C LEU A 42 -4.185 -9.768 -2.414 1.00 0.00 C ATOM 611 O LEU A 42 -5.365 -9.916 -2.727 1.00 0.00 O ATOM 612 CB LEU A 42 -2.338 -10.940 -3.809 1.00 0.00 C ATOM 613 CG LEU A 42 -3.098 -10.723 -5.123 1.00 0.00 C ATOM 614 CD1 LEU A 42 -2.130 -10.858 -6.302 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.232 -11.732 -5.355 1.00 0.00 C ATOM 0 H LEU A 42 -4.691 -12.348 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.501 -10.754 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.577 -10.165 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.816 -11.895 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.535 -9.727 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.670 -10.704 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.341 -10.112 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.689 -11.855 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.723 -11.515 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.821 -12.741 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.958 -11.657 -4.545 1.00 0.00 H new ATOM 627 N HIS A 43 -3.718 -8.645 -1.858 1.00 0.00 N ATOM 628 CA HIS A 43 -4.515 -7.486 -1.487 1.00 0.00 C ATOM 629 C HIS A 43 -3.849 -6.216 -2.011 1.00 0.00 C ATOM 630 O HIS A 43 -2.638 -6.077 -1.856 1.00 0.00 O ATOM 631 CB HIS A 43 -4.606 -7.449 0.037 1.00 0.00 C ATOM 632 CG HIS A 43 -5.715 -8.298 0.588 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.830 -7.819 1.247 1.00 0.00 N ATOM 634 CD2 HIS A 43 -5.785 -9.663 0.557 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.557 -8.882 1.634 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.955 -10.004 1.200 1.00 0.00 N ATOM 0 H HIS A 43 -2.728 -8.520 -1.647 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.514 -7.550 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.658 -7.784 0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.752 -6.418 0.360 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.060 -6.839 1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.067 -10.339 0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.475 -8.842 2.201 1.00 0.00 H new ATOM 645 N GLY A 44 -4.612 -5.313 -2.636 1.00 0.00 N ATOM 646 CA GLY A 44 -4.095 -4.128 -3.305 1.00 0.00 C ATOM 647 C GLY A 44 -3.617 -3.099 -2.296 1.00 0.00 C ATOM 648 O GLY A 44 -4.443 -2.581 -1.565 1.00 0.00 O ATOM 0 H GLY A 44 -5.628 -5.393 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.272 -4.407 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.872 -3.693 -3.934 1.00 0.00 H new ATOM 652 N PHE A 45 -2.330 -2.766 -2.234 1.00 0.00 N ATOM 653 CA PHE A 45 -1.826 -1.909 -1.163 1.00 0.00 C ATOM 654 C PHE A 45 -1.348 -0.585 -1.755 1.00 0.00 C ATOM 655 O PHE A 45 -0.471 -0.588 -2.619 1.00 0.00 O ATOM 656 CB PHE A 45 -0.708 -2.631 -0.399 1.00 0.00 C ATOM 657 CG PHE A 45 -0.624 -2.297 1.084 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.892 -0.998 1.555 1.00 0.00 C ATOM 659 CD2 PHE A 45 -0.387 -3.326 2.013 1.00 0.00 C ATOM 660 CE1 PHE A 45 -1.050 -0.768 2.927 1.00 0.00 C ATOM 661 CE2 PHE A 45 -0.387 -3.056 3.391 1.00 0.00 C ATOM 662 CZ PHE A 45 -0.706 -1.767 3.847 1.00 0.00 C ATOM 0 H PHE A 45 -1.624 -3.072 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.622 -1.692 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.850 -3.706 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.247 -2.388 -0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.976 -0.178 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.204 -4.331 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.437 0.178 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.143 -3.836 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.686 -1.546 4.904 1.00 0.00 H new ATOM 672 N HIS A 46 -1.918 0.548 -1.323 1.00 0.00 N ATOM 673 CA HIS A 46 -1.565 1.841 -1.907 1.00 0.00 C ATOM 674 C HIS A 46 -1.628 2.993 -0.907 1.00 0.00 C ATOM 675 O HIS A 46 -2.278 2.895 0.138 1.00 0.00 O ATOM 676 CB HIS A 46 -2.458 2.155 -3.116 1.00 0.00 C ATOM 677 CG HIS A 46 -3.141 0.963 -3.723 1.00 0.00 C ATOM 678 ND1 HIS A 46 -4.466 0.570 -3.506 1.00 0.00 N ATOM 679 CD2 HIS A 46 -2.643 0.172 -4.716 1.00 0.00 C ATOM 680 CE1 HIS A 46 -4.704 -0.493 -4.307 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.621 -0.693 -5.056 1.00 0.00 N ATOM 0 H HIS A 46 -2.616 0.592 -0.581 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.527 1.751 -2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.218 2.875 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.851 2.637 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.655 0.227 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.612 -1.077 -4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.542 -1.402 -5.785 1.00 0.00 H new ATOM 689 N VAL A 47 -0.973 4.100 -1.278 1.00 0.00 N ATOM 690 CA VAL A 47 -0.939 5.352 -0.528 1.00 0.00 C ATOM 691 C VAL A 47 -2.072 6.256 -1.021 1.00 0.00 C ATOM 692 O VAL A 47 -1.897 6.946 -2.022 1.00 0.00 O ATOM 693 CB VAL A 47 0.422 6.059 -0.741 1.00 0.00 C ATOM 694 CG1 VAL A 47 0.563 7.247 0.217 1.00 0.00 C ATOM 695 CG2 VAL A 47 1.645 5.148 -0.580 1.00 0.00 C ATOM 0 H VAL A 47 -0.433 4.145 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.065 5.145 0.535 1.00 0.00 H new ATOM 0 HB VAL A 47 0.409 6.389 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.525 7.733 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.240 7.961 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.504 6.893 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.554 5.726 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.659 4.732 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.593 4.337 -1.306 1.00 0.00 H new ATOM 705 N HIS A 48 -3.235 6.274 -0.370 1.00 0.00 N ATOM 706 CA HIS A 48 -4.299 7.189 -0.750 1.00 0.00 C ATOM 707 C HIS A 48 -3.954 8.634 -0.416 1.00 0.00 C ATOM 708 O HIS A 48 -3.314 8.926 0.598 1.00 0.00 O ATOM 709 CB HIS A 48 -5.631 6.812 -0.111 1.00 0.00 C ATOM 710 CG HIS A 48 -6.241 5.590 -0.735 1.00 0.00 C ATOM 711 ND1 HIS A 48 -7.444 5.558 -1.381 1.00 0.00 N ATOM 712 CD2 HIS A 48 -5.595 4.398 -0.889 1.00 0.00 C ATOM 713 CE1 HIS A 48 -7.592 4.325 -1.881 1.00 0.00 C ATOM 714 NE2 HIS A 48 -6.453 3.639 -1.678 1.00 0.00 N ATOM 0 H HIS A 48 -3.459 5.667 0.418 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.401 7.102 -1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.483 6.637 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.324 7.648 -0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.634 4.109 -0.489 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.478 3.944 -2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.250 2.709 -2.045 1.00 0.00 H new ATOM 722 N GLU A 49 -4.407 9.531 -1.291 1.00 0.00 N ATOM 723 CA GLU A 49 -4.226 10.962 -1.146 1.00 0.00 C ATOM 724 C GLU A 49 -5.174 11.571 -0.107 1.00 0.00 C ATOM 725 O GLU A 49 -5.951 10.863 0.540 1.00 0.00 O ATOM 726 CB GLU A 49 -4.313 11.598 -2.533 1.00 0.00 C ATOM 727 CG GLU A 49 -5.679 11.488 -3.224 1.00 0.00 C ATOM 728 CD GLU A 49 -5.573 11.710 -4.734 1.00 0.00 C ATOM 729 OE1 GLU A 49 -4.546 11.294 -5.317 1.00 0.00 O ATOM 730 OE2 GLU A 49 -6.532 12.289 -5.284 1.00 0.00 O ATOM 0 H GLU A 49 -4.919 9.271 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.238 11.176 -0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.052 12.653 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.562 11.135 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.106 10.504 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.363 12.221 -2.796 1.00 0.00 H new ATOM 876 N PRO A 62 -8.025 8.535 -4.830 1.00 0.00 N ATOM 877 CA PRO A 62 -7.264 7.386 -5.267 1.00 0.00 C ATOM 878 C PRO A 62 -5.876 7.330 -4.634 1.00 0.00 C ATOM 879 O PRO A 62 -5.533 8.077 -3.717 1.00 0.00 O ATOM 880 CB PRO A 62 -7.184 7.502 -6.798 1.00 0.00 C ATOM 881 CG PRO A 62 -7.330 9.000 -7.051 1.00 0.00 C ATOM 882 CD PRO A 62 -8.282 9.436 -5.941 1.00 0.00 C ATOM 0 HA PRO A 62 -7.747 6.460 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.237 7.121 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.976 6.934 -7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.372 9.516 -6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.740 9.206 -8.040 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.102 10.472 -5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.320 9.371 -6.267 1.00 0.00 H new ATOM 890 N HIS A 63 -5.079 6.395 -5.150 1.00 0.00 N ATOM 891 CA HIS A 63 -3.686 6.254 -4.797 1.00 0.00 C ATOM 892 C HIS A 63 -2.950 7.491 -5.322 1.00 0.00 C ATOM 893 O HIS A 63 -3.030 7.773 -6.513 1.00 0.00 O ATOM 894 CB HIS A 63 -3.099 4.976 -5.407 1.00 0.00 C ATOM 895 CG HIS A 63 -4.046 3.813 -5.640 1.00 0.00 C ATOM 896 ND1 HIS A 63 -3.946 2.844 -6.638 1.00 0.00 N ATOM 897 CD2 HIS A 63 -5.120 3.455 -4.883 1.00 0.00 C ATOM 898 CE1 HIS A 63 -4.828 1.855 -6.384 1.00 0.00 C ATOM 899 NE2 HIS A 63 -5.602 2.279 -5.372 1.00 0.00 N ATOM 0 H HIS A 63 -5.398 5.709 -5.834 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.575 6.176 -3.716 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.645 5.237 -6.363 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -2.296 4.631 -4.756 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.308 2.878 -7.433 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.519 4.006 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.898 0.906 -6.895 1.00 0.00 H new ATOM 907 N PHE A 64 -2.248 8.204 -4.443 1.00 0.00 N ATOM 908 CA PHE A 64 -1.635 9.503 -4.680 1.00 0.00 C ATOM 909 C PHE A 64 -0.962 9.614 -6.056 1.00 0.00 C ATOM 910 O PHE A 64 -0.086 8.822 -6.409 1.00 0.00 O ATOM 911 CB PHE A 64 -0.712 9.821 -3.492 1.00 0.00 C ATOM 912 CG PHE A 64 0.005 11.161 -3.487 1.00 0.00 C ATOM 913 CD1 PHE A 64 -0.594 12.318 -4.021 1.00 0.00 C ATOM 914 CD2 PHE A 64 1.274 11.256 -2.881 1.00 0.00 C ATOM 915 CE1 PHE A 64 0.129 13.523 -4.076 1.00 0.00 C ATOM 916 CE2 PHE A 64 1.984 12.468 -2.911 1.00 0.00 C ATOM 917 CZ PHE A 64 1.426 13.594 -3.538 1.00 0.00 C ATOM 0 H PHE A 64 -2.084 7.869 -3.494 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.408 10.270 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.306 9.756 -2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.044 9.037 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.609 12.280 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.702 10.394 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.313 14.396 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.959 12.534 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.991 14.512 -3.607 1.00 0.00 H new ATOM 927 N ASN A 65 -1.417 10.583 -6.853 1.00 0.00 N ATOM 928 CA ASN A 65 -0.961 10.789 -8.223 1.00 0.00 C ATOM 929 C ASN A 65 0.451 11.400 -8.247 1.00 0.00 C ATOM 930 O ASN A 65 0.715 12.309 -7.465 1.00 0.00 O ATOM 931 CB ASN A 65 -1.954 11.695 -8.964 1.00 0.00 C ATOM 932 CG ASN A 65 -3.201 10.952 -9.448 1.00 0.00 C ATOM 933 OD1 ASN A 65 -3.446 9.811 -9.079 1.00 0.00 O ATOM 934 ND2 ASN A 65 -3.988 11.570 -10.324 1.00 0.00 N ATOM 0 H ASN A 65 -2.124 11.256 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.913 9.823 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.256 12.508 -8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.454 12.148 -9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.809 11.093 -10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.771 12.521 -10.622 1.00 0.00 H new ATOM 941 N PRO A 66 1.357 10.947 -9.139 1.00 0.00 N ATOM 942 CA PRO A 66 2.718 11.454 -9.226 1.00 0.00 C ATOM 943 C PRO A 66 2.749 12.712 -10.093 1.00 0.00 C ATOM 944 O PRO A 66 3.065 13.798 -9.622 1.00 0.00 O ATOM 945 CB PRO A 66 3.536 10.312 -9.840 1.00 0.00 C ATOM 946 CG PRO A 66 2.538 9.492 -10.659 1.00 0.00 C ATOM 947 CD PRO A 66 1.168 9.845 -10.068 1.00 0.00 C ATOM 0 HA PRO A 66 3.125 11.742 -8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.338 10.698 -10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.003 9.703 -9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.590 9.747 -11.718 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.741 8.424 -10.578 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.472 10.126 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.739 8.983 -9.557 1.00 0.00 H new ATOM 955 N LEU A 67 2.397 12.552 -11.372 1.00 0.00 N ATOM 956 CA LEU A 67 2.254 13.639 -12.335 1.00 0.00 C ATOM 957 C LEU A 67 0.872 13.548 -12.986 1.00 0.00 C ATOM 958 O LEU A 67 0.710 13.897 -14.150 1.00 0.00 O ATOM 959 CB LEU A 67 3.371 13.594 -13.393 1.00 0.00 C ATOM 960 CG LEU A 67 4.786 13.726 -12.800 1.00 0.00 C ATOM 961 CD1 LEU A 67 5.378 12.366 -12.396 1.00 0.00 C ATOM 962 CD2 LEU A 67 5.718 14.393 -13.820 1.00 0.00 C ATOM 0 H LEU A 67 2.199 11.636 -11.774 1.00 0.00 H new ATOM 0 HA LEU A 67 2.345 14.593 -11.817 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.302 12.655 -13.942 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.211 14.397 -14.113 1.00 0.00 H new ATOM 0 HG LEU A 67 4.702 14.337 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.376 12.512 -11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.740 11.900 -11.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.438 11.721 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.718 14.484 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.762 13.786 -14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.337 15.384 -14.067 1.00 0.00 H new ATOM 974 N SER A 68 -0.121 13.061 -12.234 1.00 0.00 N ATOM 975 CA SER A 68 -1.481 12.853 -12.723 1.00 0.00 C ATOM 976 C SER A 68 -1.501 11.760 -13.798 1.00 0.00 C ATOM 977 O SER A 68 -1.417 12.034 -14.993 1.00 0.00 O ATOM 978 CB SER A 68 -2.116 14.173 -13.180 1.00 0.00 C ATOM 979 OG SER A 68 -3.525 14.067 -13.084 1.00 0.00 O ATOM 0 H SER A 68 0.003 12.798 -11.256 1.00 0.00 H new ATOM 0 HA SER A 68 -2.104 12.495 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.758 14.996 -12.562 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.825 14.395 -14.207 1.00 0.00 H new ATOM 0 HG SER A 68 -3.937 14.908 -13.373 1.00 0.00 H new ATOM 985 N ARG A 69 -1.589 10.502 -13.360 1.00 0.00 N ATOM 986 CA ARG A 69 -1.661 9.332 -14.223 1.00 0.00 C ATOM 987 C ARG A 69 -2.732 8.422 -13.636 1.00 0.00 C ATOM 988 O ARG A 69 -3.117 8.615 -12.483 1.00 0.00 O ATOM 989 CB ARG A 69 -0.310 8.602 -14.268 1.00 0.00 C ATOM 990 CG ARG A 69 0.882 9.565 -14.348 1.00 0.00 C ATOM 991 CD ARG A 69 2.172 8.803 -14.672 1.00 0.00 C ATOM 992 NE ARG A 69 2.272 8.541 -16.117 1.00 0.00 N ATOM 993 CZ ARG A 69 3.253 7.847 -16.715 1.00 0.00 C ATOM 994 NH1 ARG A 69 4.160 7.202 -15.975 1.00 0.00 N ATOM 995 NH2 ARG A 69 3.333 7.823 -18.050 1.00 0.00 N ATOM 0 H ARG A 69 -1.612 10.268 -12.367 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.904 9.622 -15.245 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.209 7.979 -13.380 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.291 7.935 -15.130 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.697 10.319 -15.113 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.994 10.093 -13.401 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.035 9.381 -14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.191 7.861 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 69 1.535 8.918 -16.713 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.106 7.237 -14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.906 6.674 -16.428 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.650 8.331 -18.611 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.078 7.296 -18.507 1.00 0.00 H new ATOM 1009 N LYS A 70 -3.218 7.440 -14.396 1.00 0.00 N ATOM 1010 CA LYS A 70 -4.186 6.504 -13.895 1.00 0.00 C ATOM 1011 C LYS A 70 -3.508 5.411 -13.069 1.00 0.00 C ATOM 1012 O LYS A 70 -2.282 5.348 -12.955 1.00 0.00 O ATOM 1013 CB LYS A 70 -4.929 5.889 -15.076 1.00 0.00 C ATOM 1014 CG LYS A 70 -5.293 6.875 -16.195 1.00 0.00 C ATOM 1015 CD LYS A 70 -6.601 6.446 -16.868 1.00 0.00 C ATOM 1016 CE LYS A 70 -6.790 7.197 -18.192 1.00 0.00 C ATOM 1017 NZ LYS A 70 -8.160 7.052 -18.724 1.00 0.00 N ATOM 0 H LYS A 70 -2.945 7.284 -15.366 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.889 7.025 -13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.315 5.093 -15.498 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.844 5.425 -14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.398 7.880 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.491 6.913 -16.932 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.589 5.371 -17.050 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.442 6.647 -16.205 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.570 8.254 -18.043 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.076 6.823 -18.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.242 7.575 -19.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.363 6.046 -18.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.841 7.433 -18.037 1.00 0.00 H new ATOM 1031 N HIS A 71 -4.342 4.540 -12.506 1.00 0.00 N ATOM 1032 CA HIS A 71 -3.899 3.367 -11.787 1.00 0.00 C ATOM 1033 C HIS A 71 -3.206 2.365 -12.705 1.00 0.00 C ATOM 1034 O HIS A 71 -3.524 2.271 -13.886 1.00 0.00 O ATOM 1035 CB HIS A 71 -5.119 2.704 -11.148 1.00 0.00 C ATOM 1036 CG HIS A 71 -4.743 1.581 -10.239 1.00 0.00 C ATOM 1037 ND1 HIS A 71 -3.740 1.571 -9.270 1.00 0.00 N ATOM 1038 CD2 HIS A 71 -5.213 0.311 -10.321 1.00 0.00 C ATOM 1039 CE1 HIS A 71 -3.532 0.298 -8.912 1.00 0.00 C ATOM 1040 NE2 HIS A 71 -4.500 -0.427 -9.436 1.00 0.00 N ATOM 0 H HIS A 71 -5.357 4.638 -12.542 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.177 3.677 -11.031 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.683 3.449 -10.587 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.778 2.329 -11.931 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.003 -0.043 -10.967 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.718 -0.069 -8.304 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.686 -1.404 -9.208 1.00 0.00 H new ATOM 1048 N GLY A 72 -2.321 1.565 -12.116 1.00 0.00 N ATOM 1049 CA GLY A 72 -1.763 0.367 -12.703 1.00 0.00 C ATOM 1050 C GLY A 72 -0.819 -0.222 -11.662 1.00 0.00 C ATOM 1051 O GLY A 72 -0.999 0.047 -10.476 1.00 0.00 O ATOM 0 H GLY A 72 -1.963 1.748 -11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.550 -0.343 -12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.229 0.598 -13.625 1.00 0.00 H new ATOM 1055 N GLY A 73 0.170 -1.006 -12.076 1.00 0.00 N ATOM 1056 CA GLY A 73 1.070 -1.708 -11.171 1.00 0.00 C ATOM 1057 C GLY A 73 2.486 -1.137 -11.172 1.00 0.00 C ATOM 1058 O GLY A 73 2.866 -0.338 -12.028 1.00 0.00 O ATOM 0 H GLY A 73 0.371 -1.173 -13.062 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.667 -1.662 -10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.109 -2.761 -11.451 1.00 0.00 H new ATOM 1062 N PRO A 74 3.302 -1.539 -10.190 1.00 0.00 N ATOM 1063 CA PRO A 74 4.585 -0.917 -9.914 1.00 0.00 C ATOM 1064 C PRO A 74 5.574 -1.041 -11.080 1.00 0.00 C ATOM 1065 O PRO A 74 6.562 -0.308 -11.110 1.00 0.00 O ATOM 1066 CB PRO A 74 5.088 -1.581 -8.627 1.00 0.00 C ATOM 1067 CG PRO A 74 4.365 -2.929 -8.597 1.00 0.00 C ATOM 1068 CD PRO A 74 3.028 -2.617 -9.263 1.00 0.00 C ATOM 0 HA PRO A 74 4.483 0.161 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.170 -1.709 -8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.849 -0.981 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.917 -3.695 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.233 -3.293 -7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.634 -3.491 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.282 -2.321 -8.526 1.00 0.00 H new ATOM 1076 N LYS A 75 5.304 -1.945 -12.029 1.00 0.00 N ATOM 1077 CA LYS A 75 6.146 -2.238 -13.184 1.00 0.00 C ATOM 1078 C LYS A 75 5.495 -1.815 -14.512 1.00 0.00 C ATOM 1079 O LYS A 75 6.025 -2.150 -15.572 1.00 0.00 O ATOM 1080 CB LYS A 75 6.473 -3.743 -13.158 1.00 0.00 C ATOM 1081 CG LYS A 75 7.813 -4.061 -12.471 1.00 0.00 C ATOM 1082 CD LYS A 75 8.993 -4.118 -13.460 1.00 0.00 C ATOM 1083 CE LYS A 75 9.816 -2.821 -13.503 1.00 0.00 C ATOM 1084 NZ LYS A 75 10.809 -2.842 -14.596 1.00 0.00 N ATOM 0 H LYS A 75 4.457 -2.513 -12.008 1.00 0.00 H new ATOM 0 HA LYS A 75 7.064 -1.654 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.673 -4.273 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.498 -4.120 -14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.016 -3.304 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.733 -5.017 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.647 -4.946 -13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.611 -4.330 -14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.148 -1.970 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.326 -2.682 -12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.346 -1.951 -14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.462 -3.640 -14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.320 -2.950 -15.507 1.00 0.00 H new ATOM 1098 N ASP A 76 4.382 -1.080 -14.468 1.00 0.00 N ATOM 1099 CA ASP A 76 3.521 -0.817 -15.614 1.00 0.00 C ATOM 1100 C ASP A 76 3.735 0.611 -16.119 1.00 0.00 C ATOM 1101 O ASP A 76 4.347 1.443 -15.449 1.00 0.00 O ATOM 1102 CB ASP A 76 2.069 -1.099 -15.200 1.00 0.00 C ATOM 1103 CG ASP A 76 1.859 -2.525 -14.689 1.00 0.00 C ATOM 1104 OD1 ASP A 76 2.420 -2.846 -13.615 1.00 0.00 O ATOM 1105 OD2 ASP A 76 1.105 -3.262 -15.358 1.00 0.00 O ATOM 0 H ASP A 76 4.049 -0.641 -13.609 1.00 0.00 H new ATOM 0 HA ASP A 76 3.768 -1.472 -16.449 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.775 -0.394 -14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.413 -0.925 -16.053 1.00 0.00 H new ATOM 1110 N GLU A 77 3.249 0.896 -17.327 1.00 0.00 N ATOM 1111 CA GLU A 77 3.338 2.223 -17.933 1.00 0.00 C ATOM 1112 C GLU A 77 2.457 3.240 -17.200 1.00 0.00 C ATOM 1113 O GLU A 77 2.813 4.418 -17.097 1.00 0.00 O ATOM 1114 CB GLU A 77 3.002 2.125 -19.427 1.00 0.00 C ATOM 1115 CG GLU A 77 1.620 1.513 -19.725 1.00 0.00 C ATOM 1116 CD GLU A 77 1.728 0.438 -20.794 1.00 0.00 C ATOM 1117 OE1 GLU A 77 2.151 -0.674 -20.412 1.00 0.00 O ATOM 1118 OE2 GLU A 77 1.424 0.756 -21.964 1.00 0.00 O ATOM 0 H GLU A 77 2.780 0.208 -17.916 1.00 0.00 H new ATOM 0 HA GLU A 77 4.359 2.591 -17.837 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.047 3.122 -19.864 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.767 1.526 -19.921 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.202 1.086 -18.814 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.935 2.294 -20.055 1.00 0.00 H new ATOM 1125 N GLU A 78 1.322 2.766 -16.679 1.00 0.00 N ATOM 1126 CA GLU A 78 0.393 3.520 -15.844 1.00 0.00 C ATOM 1127 C GLU A 78 0.492 2.933 -14.436 1.00 0.00 C ATOM 1128 O GLU A 78 0.688 1.730 -14.302 1.00 0.00 O ATOM 1129 CB GLU A 78 -1.033 3.444 -16.416 1.00 0.00 C ATOM 1130 CG GLU A 78 -1.173 4.395 -17.617 1.00 0.00 C ATOM 1131 CD GLU A 78 -2.556 4.370 -18.269 1.00 0.00 C ATOM 1132 OE1 GLU A 78 -3.536 4.068 -17.553 1.00 0.00 O ATOM 1133 OE2 GLU A 78 -2.623 4.718 -19.467 1.00 0.00 O ATOM 0 H GLU A 78 1.016 1.806 -16.836 1.00 0.00 H new ATOM 0 HA GLU A 78 0.645 4.580 -15.818 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.256 2.422 -16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.757 3.710 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.954 5.412 -17.290 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.425 4.133 -18.365 1.00 0.00 H new ATOM 1140 N ARG A 79 0.425 3.785 -13.407 1.00 0.00 N ATOM 1141 CA ARG A 79 0.722 3.493 -12.004 1.00 0.00 C ATOM 1142 C ARG A 79 0.956 4.808 -11.272 1.00 0.00 C ATOM 1143 O ARG A 79 1.867 5.563 -11.615 1.00 0.00 O ATOM 1144 CB ARG A 79 1.895 2.535 -11.804 1.00 0.00 C ATOM 1145 CG ARG A 79 3.142 2.838 -12.646 1.00 0.00 C ATOM 1146 CD ARG A 79 4.412 2.774 -11.796 1.00 0.00 C ATOM 1147 NE ARG A 79 4.370 3.781 -10.725 1.00 0.00 N ATOM 1148 CZ ARG A 79 5.164 3.792 -9.642 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.176 2.923 -9.525 1.00 0.00 N ATOM 1150 NH2 ARG A 79 4.919 4.678 -8.678 1.00 0.00 N ATOM 0 H ARG A 79 0.144 4.756 -13.542 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.139 2.971 -11.588 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.176 2.547 -10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.559 1.524 -12.033 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.213 2.123 -13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.050 3.828 -13.094 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.516 1.779 -11.363 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.286 2.941 -12.425 1.00 0.00 H new ATOM 0 HE ARG A 79 3.683 4.530 -10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.351 2.242 -10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.772 2.942 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.141 5.331 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.510 4.704 -7.847 1.00 0.00 H new ATOM 1164 N HIS A 80 0.133 5.074 -10.257 1.00 0.00 N ATOM 1165 CA HIS A 80 0.205 6.275 -9.443 1.00 0.00 C ATOM 1166 C HIS A 80 1.541 6.336 -8.669 1.00 0.00 C ATOM 1167 O HIS A 80 2.367 5.431 -8.802 1.00 0.00 O ATOM 1168 CB HIS A 80 -0.997 6.317 -8.493 1.00 0.00 C ATOM 1169 CG HIS A 80 -2.345 5.959 -9.082 1.00 0.00 C ATOM 1170 ND1 HIS A 80 -3.157 4.865 -8.760 1.00 0.00 N ATOM 1171 CD2 HIS A 80 -3.127 6.795 -9.826 1.00 0.00 C ATOM 1172 CE1 HIS A 80 -4.416 5.177 -9.108 1.00 0.00 C ATOM 1173 NE2 HIS A 80 -4.385 6.266 -9.877 1.00 0.00 N ATOM 0 H HIS A 80 -0.617 4.442 -9.976 1.00 0.00 H new ATOM 0 HA HIS A 80 0.169 7.152 -10.090 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.798 5.639 -7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.065 7.321 -8.075 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.807 7.715 -10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.304 4.637 -8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.168 6.640 -10.413 1.00 0.00 H new ATOM 1181 N VAL A 81 1.795 7.359 -7.838 1.00 0.00 N ATOM 1182 CA VAL A 81 3.080 7.443 -7.138 1.00 0.00 C ATOM 1183 C VAL A 81 3.214 6.301 -6.136 1.00 0.00 C ATOM 1184 O VAL A 81 4.161 5.519 -6.203 1.00 0.00 O ATOM 1185 CB VAL A 81 3.346 8.839 -6.526 1.00 0.00 C ATOM 1186 CG1 VAL A 81 2.871 9.069 -5.085 1.00 0.00 C ATOM 1187 CG2 VAL A 81 4.855 9.124 -6.537 1.00 0.00 C ATOM 0 H VAL A 81 1.145 8.120 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 81 3.872 7.320 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 81 2.757 9.505 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.118 10.085 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.792 8.926 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.365 8.359 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.043 10.107 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.373 8.366 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.222 9.102 -7.563 1.00 0.00 H new ATOM 1197 N GLY A 82 2.226 6.173 -5.250 1.00 0.00 N ATOM 1198 CA GLY A 82 2.216 5.169 -4.201 1.00 0.00 C ATOM 1199 C GLY A 82 1.354 3.979 -4.600 1.00 0.00 C ATOM 1200 O GLY A 82 0.544 3.512 -3.798 1.00 0.00 O ATOM 0 H GLY A 82 1.402 6.774 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.234 4.835 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.836 5.605 -3.277 1.00 0.00 H new ATOM 1204 N ASP A 83 1.504 3.519 -5.849 1.00 0.00 N ATOM 1205 CA ASP A 83 0.780 2.401 -6.408 1.00 0.00 C ATOM 1206 C ASP A 83 1.597 1.128 -6.231 1.00 0.00 C ATOM 1207 O ASP A 83 2.166 0.587 -7.179 1.00 0.00 O ATOM 1208 CB ASP A 83 0.569 2.756 -7.887 1.00 0.00 C ATOM 1209 CG ASP A 83 -0.781 2.329 -8.372 1.00 0.00 C ATOM 1210 OD1 ASP A 83 -1.519 1.742 -7.562 1.00 0.00 O ATOM 1211 OD2 ASP A 83 -1.175 2.770 -9.468 1.00 0.00 O ATOM 0 H ASP A 83 2.158 3.938 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.177 2.221 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.681 3.832 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.340 2.277 -8.490 1.00 0.00 H new ATOM 1216 N LEU A 84 1.678 0.648 -4.993 1.00 0.00 N ATOM 1217 CA LEU A 84 2.598 -0.423 -4.638 1.00 0.00 C ATOM 1218 C LEU A 84 1.935 -1.777 -4.914 1.00 0.00 C ATOM 1219 O LEU A 84 1.948 -2.665 -4.065 1.00 0.00 O ATOM 1220 CB LEU A 84 3.056 -0.245 -3.181 1.00 0.00 C ATOM 1221 CG LEU A 84 3.526 1.187 -2.849 1.00 0.00 C ATOM 1222 CD1 LEU A 84 4.065 1.221 -1.416 1.00 0.00 C ATOM 1223 CD2 LEU A 84 4.612 1.701 -3.805 1.00 0.00 C ATOM 0 H LEU A 84 1.112 0.988 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 84 3.498 -0.385 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.234 -0.512 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.870 -0.941 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 84 2.661 1.841 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.398 2.231 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.277 0.925 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.904 0.531 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.900 2.713 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.483 1.047 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.226 1.709 -4.824 1.00 0.00 H new ATOM 1235 N GLY A 85 1.363 -1.912 -6.120 1.00 0.00 N ATOM 1236 CA GLY A 85 0.512 -3.009 -6.556 1.00 0.00 C ATOM 1237 C GLY A 85 -0.274 -3.661 -5.416 1.00 0.00 C ATOM 1238 O GLY A 85 -1.074 -3.017 -4.735 1.00 0.00 O ATOM 0 H GLY A 85 1.495 -1.214 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.188 -2.640 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.128 -3.766 -7.041 1.00 0.00 H new ATOM 1242 N ASN A 86 -0.026 -4.956 -5.206 1.00 0.00 N ATOM 1243 CA ASN A 86 -0.676 -5.771 -4.193 1.00 0.00 C ATOM 1244 C ASN A 86 0.366 -6.531 -3.384 1.00 0.00 C ATOM 1245 O ASN A 86 1.443 -6.823 -3.904 1.00 0.00 O ATOM 1246 CB ASN A 86 -1.688 -6.731 -4.838 1.00 0.00 C ATOM 1247 CG ASN A 86 -1.176 -7.517 -6.047 1.00 0.00 C ATOM 1248 OD1 ASN A 86 -1.942 -7.768 -6.969 1.00 0.00 O ATOM 1249 ND2 ASN A 86 0.090 -7.929 -6.085 1.00 0.00 N ATOM 0 H ASN A 86 0.656 -5.477 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.225 -5.118 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.022 -7.441 -4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.562 -6.157 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.430 -8.459 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.720 -7.714 -5.312 1.00 0.00 H new ATOM 1256 N VAL A 87 0.027 -6.888 -2.145 1.00 0.00 N ATOM 1257 CA VAL A 87 0.862 -7.696 -1.271 1.00 0.00 C ATOM 1258 C VAL A 87 0.194 -9.050 -1.129 1.00 0.00 C ATOM 1259 O VAL A 87 -0.996 -9.159 -1.405 1.00 0.00 O ATOM 1260 CB VAL A 87 1.056 -7.020 0.093 1.00 0.00 C ATOM 1261 CG1 VAL A 87 1.700 -5.643 -0.101 1.00 0.00 C ATOM 1262 CG2 VAL A 87 -0.257 -6.923 0.882 1.00 0.00 C ATOM 0 H VAL A 87 -0.857 -6.615 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 87 1.858 -7.812 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 87 1.725 -7.640 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.837 -5.165 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.668 -5.760 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.054 -5.023 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.071 -6.438 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.981 -6.338 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.653 -7.924 1.053 1.00 0.00 H new ATOM 1272 N THR A 88 0.948 -10.050 -0.679 1.00 0.00 N ATOM 1273 CA THR A 88 0.507 -11.435 -0.566 1.00 0.00 C ATOM 1274 C THR A 88 0.395 -11.765 0.915 1.00 0.00 C ATOM 1275 O THR A 88 1.384 -11.657 1.635 1.00 0.00 O ATOM 1276 CB THR A 88 1.512 -12.349 -1.285 1.00 0.00 C ATOM 1277 OG1 THR A 88 1.836 -11.803 -2.549 1.00 0.00 O ATOM 1278 CG2 THR A 88 0.923 -13.743 -1.516 1.00 0.00 C ATOM 0 H THR A 88 1.912 -9.913 -0.374 1.00 0.00 H new ATOM 0 HA THR A 88 -0.464 -11.587 -1.037 1.00 0.00 H new ATOM 0 HB THR A 88 2.398 -12.426 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.478 -12.388 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.656 -14.368 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.667 -14.193 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.026 -13.662 -2.130 1.00 0.00 H new ATOM 1286 N ALA A 89 -0.805 -12.127 1.369 1.00 0.00 N ATOM 1287 CA ALA A 89 -1.037 -12.595 2.721 1.00 0.00 C ATOM 1288 C ALA A 89 -0.839 -14.105 2.790 1.00 0.00 C ATOM 1289 O ALA A 89 -1.151 -14.821 1.837 1.00 0.00 O ATOM 1290 CB ALA A 89 -2.439 -12.199 3.173 1.00 0.00 C ATOM 0 H ALA A 89 -1.648 -12.100 0.796 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.319 -12.129 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.607 -12.554 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.537 -11.114 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.176 -12.646 2.506 1.00 0.00 H new ATOM 1296 N ASP A 90 -0.315 -14.564 3.928 1.00 0.00 N ATOM 1297 CA ASP A 90 -0.089 -15.963 4.226 1.00 0.00 C ATOM 1298 C ASP A 90 -1.397 -16.643 4.629 1.00 0.00 C ATOM 1299 O ASP A 90 -2.421 -15.986 4.811 1.00 0.00 O ATOM 1300 CB ASP A 90 1.007 -16.087 5.305 1.00 0.00 C ATOM 1301 CG ASP A 90 1.803 -17.370 5.136 1.00 0.00 C ATOM 1302 OD1 ASP A 90 1.265 -18.309 4.514 1.00 0.00 O ATOM 1303 OD2 ASP A 90 2.940 -17.497 5.633 1.00 0.00 O ATOM 0 H ASP A 90 -0.030 -13.945 4.687 1.00 0.00 H new ATOM 0 HA ASP A 90 0.266 -16.481 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.678 -15.230 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.550 -16.067 6.295 1.00 0.00 H new ATOM 1308 N LYS A 91 -1.347 -17.955 4.854 1.00 0.00 N ATOM 1309 CA LYS A 91 -2.433 -18.766 5.367 1.00 0.00 C ATOM 1310 C LYS A 91 -2.924 -18.259 6.726 1.00 0.00 C ATOM 1311 O LYS A 91 -4.053 -18.541 7.121 1.00 0.00 O ATOM 1312 CB LYS A 91 -1.980 -20.234 5.436 1.00 0.00 C ATOM 1313 CG LYS A 91 -0.725 -20.491 6.294 1.00 0.00 C ATOM 1314 CD LYS A 91 0.455 -20.994 5.446 1.00 0.00 C ATOM 1315 CE LYS A 91 1.805 -20.760 6.162 1.00 0.00 C ATOM 1316 NZ LYS A 91 2.851 -20.268 5.242 1.00 0.00 N ATOM 0 H LYS A 91 -0.505 -18.501 4.673 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.282 -18.691 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.800 -20.833 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.787 -20.587 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.439 -19.571 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.957 -21.225 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.330 -22.057 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.458 -20.482 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.666 -20.040 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.137 -21.692 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.510 -19.654 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.371 -21.076 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.409 -19.727 4.471 1.00 0.00 H new ATOM 1330 N ASP A 92 -2.072 -17.505 7.428 1.00 0.00 N ATOM 1331 CA ASP A 92 -2.374 -16.955 8.743 1.00 0.00 C ATOM 1332 C ASP A 92 -3.014 -15.569 8.606 1.00 0.00 C ATOM 1333 O ASP A 92 -3.391 -14.939 9.591 1.00 0.00 O ATOM 1334 CB ASP A 92 -1.086 -16.900 9.577 1.00 0.00 C ATOM 1335 CG ASP A 92 -1.337 -17.327 11.018 1.00 0.00 C ATOM 1336 OD1 ASP A 92 -1.403 -18.558 11.228 1.00 0.00 O ATOM 1337 OD2 ASP A 92 -1.448 -16.430 11.879 1.00 0.00 O ATOM 0 H ASP A 92 -1.142 -17.259 7.090 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.091 -17.597 9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.333 -17.549 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.684 -15.887 9.561 1.00 0.00 H new ATOM 1342 N GLY A 93 -3.121 -15.067 7.370 1.00 0.00 N ATOM 1343 CA GLY A 93 -3.694 -13.760 7.111 1.00 0.00 C ATOM 1344 C GLY A 93 -2.760 -12.626 7.539 1.00 0.00 C ATOM 1345 O GLY A 93 -3.215 -11.564 7.979 1.00 0.00 O ATOM 0 H GLY A 93 -2.812 -15.560 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.914 -13.666 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.641 -13.668 7.642 1.00 0.00 H new ATOM 1349 N VAL A 94 -1.454 -12.863 7.369 1.00 0.00 N ATOM 1350 CA VAL A 94 -0.373 -11.916 7.600 1.00 0.00 C ATOM 1351 C VAL A 94 0.272 -11.636 6.242 1.00 0.00 C ATOM 1352 O VAL A 94 0.708 -12.578 5.588 1.00 0.00 O ATOM 1353 CB VAL A 94 0.638 -12.530 8.587 1.00 0.00 C ATOM 1354 CG1 VAL A 94 1.845 -11.617 8.859 1.00 0.00 C ATOM 1355 CG2 VAL A 94 -0.045 -12.854 9.922 1.00 0.00 C ATOM 0 H VAL A 94 -1.112 -13.769 7.050 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.734 -10.985 8.037 1.00 0.00 H new ATOM 0 HB VAL A 94 1.007 -13.440 8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.520 -12.106 9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.372 -11.423 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.500 -10.674 9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.683 -13.287 10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.451 -11.940 10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.853 -13.566 9.754 1.00 0.00 H new ATOM 1365 N ALA A 95 0.311 -10.375 5.798 1.00 0.00 N ATOM 1366 CA ALA A 95 1.011 -9.963 4.588 1.00 0.00 C ATOM 1367 C ALA A 95 2.227 -9.172 5.029 1.00 0.00 C ATOM 1368 O ALA A 95 2.090 -8.021 5.447 1.00 0.00 O ATOM 1369 CB ALA A 95 0.119 -9.129 3.657 1.00 0.00 C ATOM 0 H ALA A 95 -0.152 -9.604 6.280 1.00 0.00 H new ATOM 0 HA ALA A 95 1.302 -10.840 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.684 -8.845 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.749 -9.718 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.212 -8.231 4.179 1.00 0.00 H new ATOM 1375 N ASP A 96 3.391 -9.818 4.961 1.00 0.00 N ATOM 1376 CA ASP A 96 4.672 -9.220 5.285 1.00 0.00 C ATOM 1377 C ASP A 96 5.160 -8.450 4.065 1.00 0.00 C ATOM 1378 O ASP A 96 5.591 -9.041 3.076 1.00 0.00 O ATOM 1379 CB ASP A 96 5.674 -10.283 5.744 1.00 0.00 C ATOM 1380 CG ASP A 96 5.396 -10.693 7.182 1.00 0.00 C ATOM 1381 OD1 ASP A 96 5.806 -9.924 8.078 1.00 0.00 O ATOM 1382 OD2 ASP A 96 4.752 -11.747 7.356 1.00 0.00 O ATOM 0 H ASP A 96 3.464 -10.793 4.672 1.00 0.00 H new ATOM 0 HA ASP A 96 4.566 -8.528 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.612 -11.155 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.689 -9.894 5.660 1.00 0.00 H new ATOM 1387 N VAL A 97 5.058 -7.123 4.115 1.00 0.00 N ATOM 1388 CA VAL A 97 5.501 -6.257 3.039 1.00 0.00 C ATOM 1389 C VAL A 97 6.995 -6.022 3.229 1.00 0.00 C ATOM 1390 O VAL A 97 7.439 -5.847 4.362 1.00 0.00 O ATOM 1391 CB VAL A 97 4.720 -4.928 3.044 1.00 0.00 C ATOM 1392 CG1 VAL A 97 4.871 -4.210 1.696 1.00 0.00 C ATOM 1393 CG2 VAL A 97 3.235 -5.158 3.346 1.00 0.00 C ATOM 0 H VAL A 97 4.663 -6.622 4.910 1.00 0.00 H new ATOM 0 HA VAL A 97 5.314 -6.723 2.072 1.00 0.00 H new ATOM 0 HB VAL A 97 5.139 -4.302 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.313 -3.274 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.925 -4.000 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.483 -4.845 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.711 -4.202 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.806 -5.810 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.131 -5.625 4.325 1.00 0.00 H new ATOM 1403 N SER A 98 7.745 -5.979 2.126 1.00 0.00 N ATOM 1404 CA SER A 98 9.111 -5.479 2.059 1.00 0.00 C ATOM 1405 C SER A 98 9.394 -5.114 0.605 1.00 0.00 C ATOM 1406 O SER A 98 9.525 -6.001 -0.234 1.00 0.00 O ATOM 1407 CB SER A 98 10.128 -6.499 2.582 1.00 0.00 C ATOM 1408 OG SER A 98 11.436 -5.933 2.581 1.00 0.00 O ATOM 0 H SER A 98 7.400 -6.305 1.223 1.00 0.00 H new ATOM 0 HA SER A 98 9.212 -4.604 2.702 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.858 -6.808 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.110 -7.394 1.959 1.00 0.00 H new ATOM 0 HG SER A 98 12.078 -6.592 2.918 1.00 0.00 H new ATOM 1414 N ILE A 99 9.470 -3.819 0.311 1.00 0.00 N ATOM 1415 CA ILE A 99 9.820 -3.283 -0.995 1.00 0.00 C ATOM 1416 C ILE A 99 10.572 -1.970 -0.762 1.00 0.00 C ATOM 1417 O ILE A 99 10.732 -1.552 0.386 1.00 0.00 O ATOM 1418 CB ILE A 99 8.549 -3.165 -1.864 1.00 0.00 C ATOM 1419 CG1 ILE A 99 8.877 -2.878 -3.338 1.00 0.00 C ATOM 1420 CG2 ILE A 99 7.556 -2.129 -1.321 1.00 0.00 C ATOM 1421 CD1 ILE A 99 7.761 -3.334 -4.283 1.00 0.00 C ATOM 0 H ILE A 99 9.283 -3.092 1.001 1.00 0.00 H new ATOM 0 HA ILE A 99 10.483 -3.938 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 99 8.066 -4.141 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.046 -1.809 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.805 -3.383 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.682 -2.088 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.248 -2.413 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.032 -1.149 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.041 -3.109 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.609 -4.408 -4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.838 -2.810 -4.035 1.00 0.00 H new ATOM 1433 N GLU A 100 11.052 -1.319 -1.816 1.00 0.00 N ATOM 1434 CA GLU A 100 11.841 -0.113 -1.745 1.00 0.00 C ATOM 1435 C GLU A 100 11.504 0.748 -2.957 1.00 0.00 C ATOM 1436 O GLU A 100 11.272 0.211 -4.040 1.00 0.00 O ATOM 1437 CB GLU A 100 13.339 -0.462 -1.705 1.00 0.00 C ATOM 1438 CG GLU A 100 13.762 -1.687 -2.548 1.00 0.00 C ATOM 1439 CD GLU A 100 14.002 -2.936 -1.704 1.00 0.00 C ATOM 1440 OE1 GLU A 100 13.026 -3.665 -1.405 1.00 0.00 O ATOM 1441 OE2 GLU A 100 15.156 -3.117 -1.267 1.00 0.00 O ATOM 0 H GLU A 100 10.892 -1.635 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 100 11.612 0.441 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.905 0.405 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.625 -0.641 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.989 -1.897 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.672 -1.446 -3.098 1.00 0.00 H new ATOM 1448 N ASP A 101 11.496 2.068 -2.765 1.00 0.00 N ATOM 1449 CA ASP A 101 11.248 3.053 -3.809 1.00 0.00 C ATOM 1450 C ASP A 101 12.061 4.291 -3.453 1.00 0.00 C ATOM 1451 O ASP A 101 12.284 4.569 -2.278 1.00 0.00 O ATOM 1452 CB ASP A 101 9.763 3.453 -3.868 1.00 0.00 C ATOM 1453 CG ASP A 101 8.903 2.573 -4.764 1.00 0.00 C ATOM 1454 OD1 ASP A 101 8.861 2.879 -5.978 1.00 0.00 O ATOM 1455 OD2 ASP A 101 8.248 1.662 -4.215 1.00 0.00 O ATOM 0 H ASP A 101 11.667 2.489 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 101 11.525 2.633 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.354 3.430 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.692 4.483 -4.217 1.00 0.00 H new ATOM 1460 N SER A 102 12.475 5.053 -4.462 1.00 0.00 N ATOM 1461 CA SER A 102 13.095 6.358 -4.308 1.00 0.00 C ATOM 1462 C SER A 102 12.098 7.486 -4.589 1.00 0.00 C ATOM 1463 O SER A 102 12.381 8.643 -4.292 1.00 0.00 O ATOM 1464 CB SER A 102 14.293 6.429 -5.257 1.00 0.00 C ATOM 1465 OG SER A 102 13.921 5.949 -6.539 1.00 0.00 O ATOM 0 H SER A 102 12.384 4.767 -5.437 1.00 0.00 H new ATOM 0 HA SER A 102 13.429 6.488 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.648 7.457 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 102 15.117 5.835 -4.862 1.00 0.00 H new ATOM 0 HG SER A 102 14.691 5.998 -7.143 1.00 0.00 H new ATOM 1471 N VAL A 103 10.962 7.170 -5.222 1.00 0.00 N ATOM 1472 CA VAL A 103 10.037 8.178 -5.722 1.00 0.00 C ATOM 1473 C VAL A 103 9.274 8.850 -4.573 1.00 0.00 C ATOM 1474 O VAL A 103 9.003 10.049 -4.626 1.00 0.00 O ATOM 1475 CB VAL A 103 9.138 7.554 -6.808 1.00 0.00 C ATOM 1476 CG1 VAL A 103 7.995 6.697 -6.252 1.00 0.00 C ATOM 1477 CG2 VAL A 103 8.579 8.631 -7.744 1.00 0.00 C ATOM 0 H VAL A 103 10.664 6.210 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 103 10.586 8.990 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 103 9.786 6.880 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.408 6.294 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 103 8.408 5.877 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.355 7.311 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.948 8.164 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.988 9.343 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.403 9.154 -8.230 1.00 0.00 H new ATOM 1487 N ILE A 104 8.937 8.075 -3.538 1.00 0.00 N ATOM 1488 CA ILE A 104 8.347 8.548 -2.303 1.00 0.00 C ATOM 1489 C ILE A 104 9.451 8.793 -1.259 1.00 0.00 C ATOM 1490 O ILE A 104 10.553 8.257 -1.377 1.00 0.00 O ATOM 1491 CB ILE A 104 7.256 7.557 -1.854 1.00 0.00 C ATOM 1492 CG1 ILE A 104 7.569 6.051 -1.954 1.00 0.00 C ATOM 1493 CG2 ILE A 104 5.959 7.807 -2.634 1.00 0.00 C ATOM 1494 CD1 ILE A 104 8.713 5.619 -1.039 1.00 0.00 C ATOM 0 H ILE A 104 9.077 7.065 -3.547 1.00 0.00 H new ATOM 0 HA ILE A 104 7.853 9.510 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 104 7.175 7.768 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.674 5.482 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.823 5.806 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.196 7.100 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.614 8.824 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.144 7.674 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.886 4.549 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 104 9.618 6.164 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.452 5.835 -0.003 1.00 0.00 H new ATOM 1506 N SER A 105 9.190 9.632 -0.249 1.00 0.00 N ATOM 1507 CA SER A 105 10.115 9.920 0.841 1.00 0.00 C ATOM 1508 C SER A 105 9.316 10.405 2.047 1.00 0.00 C ATOM 1509 O SER A 105 8.090 10.381 2.025 1.00 0.00 O ATOM 1510 CB SER A 105 11.221 10.879 0.367 1.00 0.00 C ATOM 1511 OG SER A 105 12.257 10.117 -0.226 1.00 0.00 O ATOM 0 H SER A 105 8.308 10.138 -0.170 1.00 0.00 H new ATOM 0 HA SER A 105 10.645 9.023 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.819 11.594 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.608 11.454 1.208 1.00 0.00 H new ATOM 0 HG SER A 105 11.869 9.361 -0.713 1.00 0.00 H new ATOM 1517 N LEU A 106 9.996 10.837 3.107 1.00 0.00 N ATOM 1518 CA LEU A 106 9.376 11.500 4.248 1.00 0.00 C ATOM 1519 C LEU A 106 9.515 13.016 4.080 1.00 0.00 C ATOM 1520 O LEU A 106 9.388 13.760 5.048 1.00 0.00 O ATOM 1521 CB LEU A 106 10.037 11.026 5.554 1.00 0.00 C ATOM 1522 CG LEU A 106 9.963 9.501 5.758 1.00 0.00 C ATOM 1523 CD1 LEU A 106 11.201 8.775 5.228 1.00 0.00 C ATOM 1524 CD2 LEU A 106 9.843 9.157 7.244 1.00 0.00 C ATOM 0 H LEU A 106 11.007 10.734 3.197 1.00 0.00 H new ATOM 0 HA LEU A 106 8.317 11.246 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.082 11.335 5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.556 11.522 6.397 1.00 0.00 H new ATOM 0 HG LEU A 106 9.084 9.173 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.095 7.704 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.304 8.964 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.087 9.139 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.792 8.075 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.712 9.541 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.939 9.610 7.650 1.00 0.00 H new ATOM 1566 N HIS A 110 7.052 14.271 -2.196 1.00 0.00 N ATOM 1567 CA HIS A 110 6.295 13.058 -1.930 1.00 0.00 C ATOM 1568 C HIS A 110 6.546 12.542 -0.506 1.00 0.00 C ATOM 1569 O HIS A 110 6.938 11.391 -0.320 1.00 0.00 O ATOM 1570 CB HIS A 110 6.677 12.005 -2.977 1.00 0.00 C ATOM 1571 CG HIS A 110 6.484 12.462 -4.399 1.00 0.00 C ATOM 1572 ND1 HIS A 110 7.482 12.864 -5.259 1.00 0.00 N ATOM 1573 CD2 HIS A 110 5.298 12.522 -5.080 1.00 0.00 C ATOM 1574 CE1 HIS A 110 6.900 13.166 -6.434 1.00 0.00 C ATOM 1575 NE2 HIS A 110 5.575 12.958 -6.378 1.00 0.00 N ATOM 0 HA HIS A 110 5.229 13.274 -2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.721 11.726 -2.834 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.081 11.108 -2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 110 4.323 12.276 -4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 110 7.428 13.527 -7.305 1.00 0.00 H new ATOM 0 HE2 HIS A 110 4.903 13.092 -7.134 1.00 0.00 H new ATOM 1583 N SER A 111 6.292 13.393 0.490 1.00 0.00 N ATOM 1584 CA SER A 111 6.252 13.033 1.897 1.00 0.00 C ATOM 1585 C SER A 111 5.076 12.083 2.113 1.00 0.00 C ATOM 1586 O SER A 111 3.927 12.517 2.061 1.00 0.00 O ATOM 1587 CB SER A 111 6.048 14.296 2.746 1.00 0.00 C ATOM 1588 OG SER A 111 5.834 13.951 4.104 1.00 0.00 O ATOM 0 H SER A 111 6.103 14.382 0.328 1.00 0.00 H new ATOM 0 HA SER A 111 7.187 12.554 2.190 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.921 14.943 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.195 14.861 2.369 1.00 0.00 H new ATOM 0 HG SER A 111 4.882 13.772 4.250 1.00 0.00 H new ATOM 1594 N ILE A 112 5.341 10.807 2.399 1.00 0.00 N ATOM 1595 CA ILE A 112 4.278 9.897 2.807 1.00 0.00 C ATOM 1596 C ILE A 112 3.777 10.222 4.222 1.00 0.00 C ATOM 1597 O ILE A 112 2.667 9.832 4.577 1.00 0.00 O ATOM 1598 CB ILE A 112 4.661 8.416 2.625 1.00 0.00 C ATOM 1599 CG1 ILE A 112 5.424 7.784 3.801 1.00 0.00 C ATOM 1600 CG2 ILE A 112 5.358 8.162 1.284 1.00 0.00 C ATOM 1601 CD1 ILE A 112 6.829 8.323 4.055 1.00 0.00 C ATOM 0 H ILE A 112 6.270 10.388 2.356 1.00 0.00 H new ATOM 0 HA ILE A 112 3.437 10.059 2.132 1.00 0.00 H new ATOM 0 HB ILE A 112 3.705 7.892 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.834 7.922 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.494 6.710 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.610 7.105 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.691 8.443 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.269 8.757 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.269 7.804 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.447 8.160 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.776 9.391 4.268 1.00 0.00 H new ATOM 1613 N ILE A 113 4.575 10.934 5.033 1.00 0.00 N ATOM 1614 CA ILE A 113 4.122 11.447 6.313 1.00 0.00 C ATOM 1615 C ILE A 113 2.940 12.346 5.995 1.00 0.00 C ATOM 1616 O ILE A 113 3.088 13.311 5.243 1.00 0.00 O ATOM 1617 CB ILE A 113 5.236 12.222 7.045 1.00 0.00 C ATOM 1618 CG1 ILE A 113 6.446 11.345 7.399 1.00 0.00 C ATOM 1619 CG2 ILE A 113 4.686 12.910 8.306 1.00 0.00 C ATOM 1620 CD1 ILE A 113 6.079 10.134 8.258 1.00 0.00 C ATOM 0 H ILE A 113 5.544 11.163 4.812 1.00 0.00 H new ATOM 0 HA ILE A 113 3.842 10.637 6.987 1.00 0.00 H new ATOM 0 HB ILE A 113 5.590 12.981 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.919 11.001 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.182 11.949 7.929 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.490 13.450 8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.899 13.609 8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.279 12.158 8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.977 9.555 8.474 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.633 10.473 9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.365 9.510 7.721 1.00 0.00 H new ATOM 1632 N GLY A 114 1.778 11.987 6.533 1.00 0.00 N ATOM 1633 CA GLY A 114 0.536 12.677 6.259 1.00 0.00 C ATOM 1634 C GLY A 114 -0.180 12.157 5.007 1.00 0.00 C ATOM 1635 O GLY A 114 -0.770 12.930 4.245 1.00 0.00 O ATOM 0 H GLY A 114 1.678 11.201 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.127 12.574 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.738 13.741 6.139 1.00 0.00 H new ATOM 1639 N ARG A 115 -0.127 10.845 4.761 1.00 0.00 N ATOM 1640 CA ARG A 115 -1.003 10.158 3.823 1.00 0.00 C ATOM 1641 C ARG A 115 -1.675 8.962 4.507 1.00 0.00 C ATOM 1642 O ARG A 115 -1.215 8.506 5.560 1.00 0.00 O ATOM 1643 CB ARG A 115 -0.196 9.730 2.592 1.00 0.00 C ATOM 1644 CG ARG A 115 0.217 10.924 1.733 1.00 0.00 C ATOM 1645 CD ARG A 115 -0.939 11.306 0.804 1.00 0.00 C ATOM 1646 NE ARG A 115 -0.705 12.585 0.120 1.00 0.00 N ATOM 1647 CZ ARG A 115 -1.108 13.780 0.587 1.00 0.00 C ATOM 1648 NH1 ARG A 115 -1.494 13.930 1.863 1.00 0.00 N ATOM 1649 NH2 ARG A 115 -1.138 14.825 -0.246 1.00 0.00 N ATOM 0 H ARG A 115 0.540 10.224 5.219 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.794 10.832 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.694 9.189 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.789 9.040 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.482 11.769 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.102 10.676 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.081 10.520 0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.861 11.369 1.382 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.204 12.565 -0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.485 13.130 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.797 14.844 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -0.858 14.709 -1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.441 15.738 0.092 1.00 0.00 H new ATOM 1663 N THR A 116 -2.756 8.467 3.892 1.00 0.00 N ATOM 1664 CA THR A 116 -3.525 7.326 4.349 1.00 0.00 C ATOM 1665 C THR A 116 -3.168 6.099 3.513 1.00 0.00 C ATOM 1666 O THR A 116 -3.384 6.079 2.305 1.00 0.00 O ATOM 1667 CB THR A 116 -5.031 7.630 4.346 1.00 0.00 C ATOM 1668 OG1 THR A 116 -5.288 8.520 5.413 1.00 0.00 O ATOM 1669 CG2 THR A 116 -5.855 6.358 4.573 1.00 0.00 C ATOM 0 H THR A 116 -3.124 8.872 3.032 1.00 0.00 H new ATOM 0 HA THR A 116 -3.266 7.109 5.385 1.00 0.00 H new ATOM 0 HB THR A 116 -5.309 8.054 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.244 8.735 5.437 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.916 6.606 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.644 5.641 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.591 5.921 5.536 1.00 0.00 H new ATOM 1677 N LEU A 117 -2.640 5.061 4.153 1.00 0.00 N ATOM 1678 CA LEU A 117 -2.321 3.794 3.523 1.00 0.00 C ATOM 1679 C LEU A 117 -3.559 2.889 3.575 1.00 0.00 C ATOM 1680 O LEU A 117 -4.253 2.868 4.594 1.00 0.00 O ATOM 1681 CB LEU A 117 -1.131 3.166 4.261 1.00 0.00 C ATOM 1682 CG LEU A 117 -0.043 2.674 3.301 1.00 0.00 C ATOM 1683 CD1 LEU A 117 0.789 3.823 2.747 1.00 0.00 C ATOM 1684 CD2 LEU A 117 0.925 1.766 4.050 1.00 0.00 C ATOM 0 H LEU A 117 -2.418 5.083 5.148 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.044 3.932 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.704 3.899 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.482 2.331 4.867 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.551 2.157 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.548 3.430 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.142 4.512 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.273 4.351 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.699 1.416 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.386 2.321 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.383 0.910 4.453 1.00 0.00 H new ATOM 1696 N VAL A 118 -3.836 2.154 2.490 1.00 0.00 N ATOM 1697 CA VAL A 118 -4.980 1.247 2.377 1.00 0.00 C ATOM 1698 C VAL A 118 -4.523 -0.070 1.740 1.00 0.00 C ATOM 1699 O VAL A 118 -3.719 -0.039 0.812 1.00 0.00 O ATOM 1700 CB VAL A 118 -6.072 1.903 1.516 1.00 0.00 C ATOM 1701 CG1 VAL A 118 -7.259 0.965 1.279 1.00 0.00 C ATOM 1702 CG2 VAL A 118 -6.589 3.198 2.154 1.00 0.00 C ATOM 0 H VAL A 118 -3.258 2.176 1.650 1.00 0.00 H new ATOM 0 HA VAL A 118 -5.387 1.041 3.367 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.603 2.130 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.005 1.470 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -6.916 0.067 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.702 0.689 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -7.359 3.634 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.010 2.978 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.766 3.904 2.263 1.00 0.00 H new ATOM 1712 N VAL A 119 -5.061 -1.197 2.233 1.00 0.00 N ATOM 1713 CA VAL A 119 -4.722 -2.577 1.849 1.00 0.00 C ATOM 1714 C VAL A 119 -5.729 -3.210 0.861 1.00 0.00 C ATOM 1715 O VAL A 119 -5.446 -4.215 0.216 1.00 0.00 O ATOM 1716 CB VAL A 119 -4.566 -3.416 3.137 1.00 0.00 C ATOM 1717 CG1 VAL A 119 -5.703 -3.205 4.144 1.00 0.00 C ATOM 1718 CG2 VAL A 119 -4.502 -4.914 2.841 1.00 0.00 C ATOM 0 H VAL A 119 -5.785 -1.168 2.951 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.781 -2.559 1.300 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.629 -3.066 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.529 -3.824 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.737 -2.156 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.652 -3.484 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.392 -5.465 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.419 -5.226 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.649 -5.121 2.195 1.00 0.00 H new ATOM 1728 N HIS A 120 -6.929 -2.646 0.785 1.00 0.00 N ATOM 1729 CA HIS A 120 -8.083 -3.081 -0.003 1.00 0.00 C ATOM 1730 C HIS A 120 -8.573 -4.480 0.344 1.00 0.00 C ATOM 1731 O HIS A 120 -7.895 -5.293 0.975 1.00 0.00 O ATOM 1732 CB HIS A 120 -7.932 -2.881 -1.523 1.00 0.00 C ATOM 1733 CG HIS A 120 -8.066 -1.439 -1.907 1.00 0.00 C ATOM 1734 ND1 HIS A 120 -9.189 -0.664 -2.066 1.00 0.00 N ATOM 1735 CD2 HIS A 120 -6.963 -0.688 -2.089 1.00 0.00 C ATOM 1736 CE1 HIS A 120 -8.778 0.567 -2.392 1.00 0.00 C ATOM 1737 NE2 HIS A 120 -7.426 0.570 -2.422 1.00 0.00 N ATOM 0 H HIS A 120 -7.140 -1.802 1.317 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.871 -2.394 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.960 -3.255 -1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.688 -3.468 -2.044 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -10.156 -0.970 -1.956 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.934 -1.003 -1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -9.417 1.413 -2.596 1.00 0.00 H new ATOM 1745 N GLU A 121 -9.823 -4.725 -0.035 1.00 0.00 N ATOM 1746 CA GLU A 121 -10.489 -5.967 0.247 1.00 0.00 C ATOM 1747 C GLU A 121 -9.886 -7.078 -0.609 1.00 0.00 C ATOM 1748 O GLU A 121 -9.522 -8.133 -0.096 1.00 0.00 O ATOM 1749 CB GLU A 121 -11.991 -5.815 -0.017 1.00 0.00 C ATOM 1750 CG GLU A 121 -12.715 -7.141 0.231 1.00 0.00 C ATOM 1751 CD GLU A 121 -14.178 -7.070 -0.157 1.00 0.00 C ATOM 1752 OE1 GLU A 121 -14.797 -6.017 0.102 1.00 0.00 O ATOM 1753 OE2 GLU A 121 -14.618 -8.090 -0.734 1.00 0.00 O ATOM 0 H GLU A 121 -10.396 -4.056 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.352 -6.233 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.404 -5.042 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.155 -5.491 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.227 -7.932 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.632 -7.408 1.285 1.00 0.00 H new ATOM 1760 N LYS A 122 -9.838 -6.862 -1.922 1.00 0.00 N ATOM 1761 CA LYS A 122 -9.290 -7.812 -2.875 1.00 0.00 C ATOM 1762 C LYS A 122 -7.926 -7.304 -3.359 1.00 0.00 C ATOM 1763 O LYS A 122 -7.412 -6.281 -2.889 1.00 0.00 O ATOM 1764 CB LYS A 122 -10.273 -7.974 -4.047 1.00 0.00 C ATOM 1765 CG LYS A 122 -11.740 -8.295 -3.690 1.00 0.00 C ATOM 1766 CD LYS A 122 -12.023 -9.794 -3.478 1.00 0.00 C ATOM 1767 CE LYS A 122 -11.901 -10.261 -2.019 1.00 0.00 C ATOM 1768 NZ LYS A 122 -13.188 -10.183 -1.288 1.00 0.00 N ATOM 0 H LYS A 122 -10.186 -6.007 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.149 -8.787 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.260 -7.053 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -9.900 -8.767 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.008 -7.754 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.386 -7.923 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.029 -10.016 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -11.332 -10.372 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.537 -11.288 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -11.158 -9.650 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.035 -10.427 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.567 -9.217 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.867 -10.850 -1.708 1.00 0.00 H new ATOM 1782 N ALA A 123 -7.351 -8.025 -4.321 1.00 0.00 N ATOM 1783 CA ALA A 123 -6.199 -7.581 -5.083 1.00 0.00 C ATOM 1784 C ALA A 123 -6.548 -6.317 -5.859 1.00 0.00 C ATOM 1785 O ALA A 123 -7.724 -6.016 -6.044 1.00 0.00 O ATOM 1786 CB ALA A 123 -5.816 -8.669 -6.084 1.00 0.00 C ATOM 0 H ALA A 123 -7.684 -8.950 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.374 -7.379 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.951 -8.344 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.571 -9.586 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.653 -8.855 -6.758 1.00 0.00 H new ATOM 1792 N ASP A 124 -5.527 -5.615 -6.343 1.00 0.00 N ATOM 1793 CA ASP A 124 -5.678 -4.575 -7.332 1.00 0.00 C ATOM 1794 C ASP A 124 -5.222 -5.206 -8.655 1.00 0.00 C ATOM 1795 O ASP A 124 -4.141 -5.789 -8.721 1.00 0.00 O ATOM 1796 CB ASP A 124 -4.907 -3.341 -6.841 1.00 0.00 C ATOM 1797 CG ASP A 124 -3.770 -2.857 -7.707 1.00 0.00 C ATOM 1798 OD1 ASP A 124 -3.905 -2.909 -8.947 1.00 0.00 O ATOM 1799 OD2 ASP A 124 -2.880 -2.229 -7.101 1.00 0.00 O ATOM 0 H ASP A 124 -4.561 -5.762 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.691 -4.207 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -5.617 -2.522 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.509 -3.562 -5.851 1.00 0.00 H new ATOM 1804 N ASP A 125 -6.064 -5.122 -9.687 1.00 0.00 N ATOM 1805 CA ASP A 125 -5.873 -5.767 -10.977 1.00 0.00 C ATOM 1806 C ASP A 125 -5.019 -4.888 -11.890 1.00 0.00 C ATOM 1807 O ASP A 125 -5.185 -4.937 -13.105 1.00 0.00 O ATOM 1808 CB ASP A 125 -7.241 -6.038 -11.644 1.00 0.00 C ATOM 1809 CG ASP A 125 -8.214 -6.926 -10.870 1.00 0.00 C ATOM 1810 OD1 ASP A 125 -7.778 -7.570 -9.893 1.00 0.00 O ATOM 1811 OD2 ASP A 125 -9.394 -6.952 -11.294 1.00 0.00 O ATOM 0 H ASP A 125 -6.928 -4.582 -9.640 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.359 -6.715 -10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.727 -5.080 -11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.061 -6.496 -12.617 1.00 0.00 H new ATOM 1816 N LEU A 126 -4.153 -4.029 -11.348 1.00 0.00 N ATOM 1817 CA LEU A 126 -3.378 -3.055 -12.096 1.00 0.00 C ATOM 1818 C LEU A 126 -4.239 -2.324 -13.127 1.00 0.00 C ATOM 1819 O LEU A 126 -3.847 -2.104 -14.270 1.00 0.00 O ATOM 1820 CB LEU A 126 -2.162 -3.745 -12.705 1.00 0.00 C ATOM 1821 CG LEU A 126 -1.492 -4.704 -11.708 1.00 0.00 C ATOM 1822 CD1 LEU A 126 -0.240 -5.249 -12.369 1.00 0.00 C ATOM 1823 CD2 LEU A 126 -1.196 -4.120 -10.317 1.00 0.00 C ATOM 0 H LEU A 126 -3.971 -3.997 -10.345 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.017 -2.277 -11.423 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.465 -4.298 -13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.441 -2.994 -13.027 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.207 -5.496 -11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.262 -5.935 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.512 -5.779 -13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.431 -4.425 -12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.724 -4.881 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.526 -3.266 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.128 -3.798 -9.852 1.00 0.00 H new ATOM 1835 N GLY A 127 -5.447 -1.959 -12.700 1.00 0.00 N ATOM 1836 CA GLY A 127 -6.380 -1.179 -13.495 1.00 0.00 C ATOM 1837 C GLY A 127 -6.973 -1.945 -14.679 1.00 0.00 C ATOM 1838 O GLY A 127 -7.731 -1.360 -15.452 1.00 0.00 O ATOM 0 H GLY A 127 -5.806 -2.203 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.191 -0.836 -12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.871 -0.290 -13.868 1.00 0.00 H new ATOM 1842 N LYS A 128 -6.692 -3.248 -14.805 1.00 0.00 N ATOM 1843 CA LYS A 128 -6.957 -4.028 -16.006 1.00 0.00 C ATOM 1844 C LYS A 128 -8.404 -4.010 -16.479 1.00 0.00 C ATOM 1845 O LYS A 128 -8.609 -4.259 -17.668 1.00 0.00 O ATOM 1846 CB LYS A 128 -6.492 -5.477 -15.808 1.00 0.00 C ATOM 1847 CG LYS A 128 -4.976 -5.595 -16.008 1.00 0.00 C ATOM 1848 CD LYS A 128 -4.583 -6.112 -17.401 1.00 0.00 C ATOM 1849 CE LYS A 128 -5.045 -5.262 -18.601 1.00 0.00 C ATOM 1850 NZ LYS A 128 -6.476 -5.435 -18.958 1.00 0.00 N ATOM 0 H LYS A 128 -6.266 -3.794 -14.056 1.00 0.00 H new ATOM 0 HA LYS A 128 -6.385 -3.541 -16.796 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -6.759 -5.816 -14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -7.008 -6.129 -16.513 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -4.519 -4.618 -15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -4.568 -6.265 -15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -3.497 -6.197 -17.440 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -4.986 -7.118 -17.519 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -4.863 -4.211 -18.378 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -4.433 -5.515 -19.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -6.585 -5.383 -19.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -6.808 -6.361 -18.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -7.038 -4.682 -18.512 1.00 0.00 H new ATOM 1864 N GLY A 129 -9.364 -3.766 -15.585 1.00 0.00 N ATOM 1865 CA GLY A 129 -10.774 -3.665 -15.926 1.00 0.00 C ATOM 1866 C GLY A 129 -11.069 -2.440 -16.797 1.00 0.00 C ATOM 1867 O GLY A 129 -11.942 -2.495 -17.658 1.00 0.00 O ATOM 0 H GLY A 129 -9.176 -3.632 -14.592 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -11.085 -4.567 -16.453 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.365 -3.610 -15.012 1.00 0.00 H new ATOM 1871 N GLY A 130 -10.336 -1.337 -16.595 1.00 0.00 N ATOM 1872 CA GLY A 130 -10.520 -0.116 -17.369 1.00 0.00 C ATOM 1873 C GLY A 130 -11.927 0.463 -17.200 1.00 0.00 C ATOM 1874 O GLY A 130 -12.673 0.564 -18.171 1.00 0.00 O ATOM 0 H GLY A 130 -9.602 -1.272 -15.890 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -9.783 0.625 -17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.338 -0.324 -18.423 1.00 0.00 H new ATOM 1878 N ASN A 131 -12.297 0.850 -15.971 1.00 0.00 N ATOM 1879 CA ASN A 131 -13.687 1.173 -15.645 1.00 0.00 C ATOM 1880 C ASN A 131 -13.883 2.140 -14.481 1.00 0.00 C ATOM 1881 O ASN A 131 -14.634 1.841 -13.553 1.00 0.00 O ATOM 1882 CB ASN A 131 -14.548 -0.097 -15.533 1.00 0.00 C ATOM 1883 CG ASN A 131 -13.887 -1.069 -14.578 1.00 0.00 C ATOM 1884 OD1 ASN A 131 -13.528 -2.178 -14.952 1.00 0.00 O ATOM 1885 ND2 ASN A 131 -13.587 -0.603 -13.374 1.00 0.00 N ATOM 0 H ASN A 131 -11.650 0.946 -15.188 1.00 0.00 H new ATOM 0 HA ASN A 131 -14.051 1.747 -16.497 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.547 0.157 -15.178 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -14.666 -0.557 -16.514 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.041 -1.173 -12.728 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.902 0.326 -13.094 1.00 0.00 H new ATOM 1892 N GLU A 132 -13.223 3.300 -14.518 1.00 0.00 N ATOM 1893 CA GLU A 132 -13.216 4.270 -13.428 1.00 0.00 C ATOM 1894 C GLU A 132 -12.631 3.630 -12.177 1.00 0.00 C ATOM 1895 O GLU A 132 -11.466 3.849 -11.872 1.00 0.00 O ATOM 1896 CB GLU A 132 -14.590 4.899 -13.164 1.00 0.00 C ATOM 1897 CG GLU A 132 -14.859 6.060 -14.122 1.00 0.00 C ATOM 1898 CD GLU A 132 -16.157 6.748 -13.731 1.00 0.00 C ATOM 1899 OE1 GLU A 132 -16.110 7.484 -12.722 1.00 0.00 O ATOM 1900 OE2 GLU A 132 -17.167 6.487 -14.416 1.00 0.00 O ATOM 0 H GLU A 132 -12.669 3.594 -15.323 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.580 5.102 -13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -15.367 4.143 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.639 5.254 -12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.034 6.771 -14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.923 5.693 -15.146 1.00 0.00 H new ATOM 1907 N GLN A 133 -13.407 2.813 -11.465 1.00 0.00 N ATOM 1908 CA GLN A 133 -12.985 2.198 -10.226 1.00 0.00 C ATOM 1909 C GLN A 133 -11.757 1.294 -10.419 1.00 0.00 C ATOM 1910 O GLN A 133 -10.968 1.143 -9.499 1.00 0.00 O ATOM 1911 CB GLN A 133 -14.189 1.595 -9.481 1.00 0.00 C ATOM 1912 CG GLN A 133 -14.529 0.143 -9.835 1.00 0.00 C ATOM 1913 CD GLN A 133 -13.948 -0.855 -8.836 1.00 0.00 C ATOM 1914 OE1 GLN A 133 -14.571 -1.859 -8.523 1.00 0.00 O ATOM 1915 NE2 GLN A 133 -12.762 -0.586 -8.298 1.00 0.00 N ATOM 0 H GLN A 133 -14.356 2.563 -11.743 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.608 2.959 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.996 1.653 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -15.064 2.213 -9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.612 0.026 -9.872 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -14.149 -0.083 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.257 0.257 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -12.357 -1.223 -7.612 1.00 0.00 H new ATOM 1924 N SER A 134 -11.538 0.705 -11.590 1.00 0.00 N ATOM 1925 CA SER A 134 -10.262 0.086 -11.931 1.00 0.00 C ATOM 1926 C SER A 134 -9.184 1.141 -12.124 1.00 0.00 C ATOM 1927 O SER A 134 -8.136 1.066 -11.492 1.00 0.00 O ATOM 1928 CB SER A 134 -10.367 -0.851 -13.130 1.00 0.00 C ATOM 1929 OG SER A 134 -11.252 -1.899 -12.811 1.00 0.00 O ATOM 0 H SER A 134 -12.239 0.643 -12.328 1.00 0.00 H new ATOM 0 HA SER A 134 -9.970 -0.540 -11.087 1.00 0.00 H new ATOM 0 HB2 SER A 134 -10.726 -0.307 -14.004 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.385 -1.250 -13.384 1.00 0.00 H new ATOM 0 HG SER A 134 -10.833 -2.758 -13.027 1.00 0.00 H new ATOM 1935 N THR A 135 -9.439 2.146 -12.957 1.00 0.00 N ATOM 1936 CA THR A 135 -8.437 3.170 -13.239 1.00 0.00 C ATOM 1937 C THR A 135 -8.118 4.033 -12.005 1.00 0.00 C ATOM 1938 O THR A 135 -7.117 4.751 -11.995 1.00 0.00 O ATOM 1939 CB THR A 135 -8.909 4.002 -14.434 1.00 0.00 C ATOM 1940 OG1 THR A 135 -10.261 4.366 -14.261 1.00 0.00 O ATOM 1941 CG2 THR A 135 -8.847 3.167 -15.714 1.00 0.00 C ATOM 0 H THR A 135 -10.325 2.273 -13.446 1.00 0.00 H new ATOM 0 HA THR A 135 -7.494 2.687 -13.495 1.00 0.00 H new ATOM 0 HB THR A 135 -8.266 4.879 -14.504 1.00 0.00 H new ATOM 0 HG1 THR A 135 -10.513 4.251 -13.321 1.00 0.00 H new ATOM 0 HG21 THR A 135 -9.185 3.769 -16.558 1.00 0.00 H new ATOM 0 HG22 THR A 135 -7.821 2.843 -15.888 1.00 0.00 H new ATOM 0 HG23 THR A 135 -9.491 2.294 -15.610 1.00 0.00 H new ATOM 1949 N LYS A 136 -8.968 3.947 -10.978 1.00 0.00 N ATOM 1950 CA LYS A 136 -8.881 4.600 -9.688 1.00 0.00 C ATOM 1951 C LYS A 136 -8.311 3.632 -8.647 1.00 0.00 C ATOM 1952 O LYS A 136 -7.473 4.056 -7.853 1.00 0.00 O ATOM 1953 CB LYS A 136 -10.303 5.037 -9.303 1.00 0.00 C ATOM 1954 CG LYS A 136 -10.386 5.933 -8.063 1.00 0.00 C ATOM 1955 CD LYS A 136 -11.838 6.261 -7.678 1.00 0.00 C ATOM 1956 CE LYS A 136 -12.580 5.089 -7.012 1.00 0.00 C ATOM 1957 NZ LYS A 136 -13.979 5.443 -6.690 1.00 0.00 N ATOM 0 H LYS A 136 -9.804 3.366 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 136 -8.218 5.464 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.746 5.566 -10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -10.908 4.147 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.893 5.438 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.843 6.860 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.841 7.114 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.383 6.563 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.566 4.225 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.058 4.799 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.449 4.630 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.991 6.252 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -14.483 5.696 -7.564 1.00 0.00 H new ATOM 1971 N THR A 137 -8.784 2.371 -8.603 1.00 0.00 N ATOM 1972 CA THR A 137 -8.430 1.468 -7.485 1.00 0.00 C ATOM 1973 C THR A 137 -7.747 0.178 -7.921 1.00 0.00 C ATOM 1974 O THR A 137 -6.928 -0.359 -7.181 1.00 0.00 O ATOM 1975 CB THR A 137 -9.608 1.145 -6.539 1.00 0.00 C ATOM 1976 OG1 THR A 137 -10.371 0.030 -6.954 1.00 0.00 O ATOM 1977 CG2 THR A 137 -10.542 2.333 -6.323 1.00 0.00 C ATOM 0 H THR A 137 -9.396 1.960 -9.308 1.00 0.00 H new ATOM 0 HA THR A 137 -7.703 2.053 -6.921 1.00 0.00 H new ATOM 0 HB THR A 137 -9.126 0.899 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 137 -11.099 -0.124 -6.316 1.00 0.00 H new ATOM 0 HG21 THR A 137 -11.349 2.044 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 137 -9.983 3.160 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 137 -10.962 2.645 -7.280 1.00 0.00 H new ATOM 1985 N GLY A 138 -8.154 -0.352 -9.071 1.00 0.00 N ATOM 1986 CA GLY A 138 -7.728 -1.636 -9.590 1.00 0.00 C ATOM 1987 C GLY A 138 -8.797 -2.688 -9.361 1.00 0.00 C ATOM 1988 O GLY A 138 -8.459 -3.836 -9.126 1.00 0.00 O ATOM 0 H GLY A 138 -8.814 0.124 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.517 -1.551 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.801 -1.941 -9.105 1.00 0.00 H new ATOM 1992 N ASN A 139 -10.085 -2.325 -9.381 1.00 0.00 N ATOM 1993 CA ASN A 139 -11.191 -3.286 -9.371 1.00 0.00 C ATOM 1994 C ASN A 139 -11.426 -3.870 -7.969 1.00 0.00 C ATOM 1995 O ASN A 139 -12.426 -4.536 -7.732 1.00 0.00 O ATOM 1996 CB ASN A 139 -10.934 -4.421 -10.376 1.00 0.00 C ATOM 1997 CG ASN A 139 -12.193 -5.115 -10.877 1.00 0.00 C ATOM 1998 OD1 ASN A 139 -13.278 -4.542 -10.900 1.00 0.00 O ATOM 1999 ND2 ASN A 139 -12.030 -6.351 -11.333 1.00 0.00 N ATOM 0 H ASN A 139 -10.389 -1.352 -9.405 1.00 0.00 H new ATOM 0 HA ASN A 139 -12.090 -2.745 -9.666 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -10.392 -4.017 -11.231 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -10.286 -5.163 -9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -12.824 -6.860 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -11.111 -6.791 -11.295 1.00 0.00 H new ATOM 2006 N ALA A 140 -10.487 -3.625 -7.047 1.00 0.00 N ATOM 2007 CA ALA A 140 -10.354 -4.319 -5.781 1.00 0.00 C ATOM 2008 C ALA A 140 -11.624 -4.270 -4.940 1.00 0.00 C ATOM 2009 O ALA A 140 -12.037 -5.273 -4.362 1.00 0.00 O ATOM 2010 CB ALA A 140 -9.184 -3.704 -5.006 1.00 0.00 C ATOM 0 H ALA A 140 -9.775 -2.907 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.168 -5.372 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.071 -4.216 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -8.267 -3.811 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -9.380 -2.646 -4.830 1.00 0.00 H new ATOM 2016 N GLY A 141 -12.203 -3.075 -4.822 1.00 0.00 N ATOM 2017 CA GLY A 141 -13.384 -2.841 -4.016 1.00 0.00 C ATOM 2018 C GLY A 141 -13.007 -2.174 -2.697 1.00 0.00 C ATOM 2019 O GLY A 141 -12.027 -1.419 -2.615 1.00 0.00 O ATOM 0 H GLY A 141 -11.856 -2.239 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -14.085 -2.210 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.891 -3.786 -3.821 1.00 0.00 H new ATOM 2023 N SER A 142 -13.823 -2.443 -1.676 1.00 0.00 N ATOM 2024 CA SER A 142 -13.791 -1.779 -0.390 1.00 0.00 C ATOM 2025 C SER A 142 -12.432 -1.865 0.306 1.00 0.00 C ATOM 2026 O SER A 142 -11.540 -2.621 -0.070 1.00 0.00 O ATOM 2027 CB SER A 142 -14.922 -2.336 0.483 1.00 0.00 C ATOM 2028 OG SER A 142 -16.153 -1.927 -0.083 1.00 0.00 O ATOM 0 H SER A 142 -14.548 -3.158 -1.734 1.00 0.00 H new ATOM 0 HA SER A 142 -13.948 -0.713 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.867 -3.424 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.831 -1.968 1.505 1.00 0.00 H new ATOM 0 HG SER A 142 -16.893 -2.273 0.458 1.00 0.00 H new ATOM 2034 N ARG A 143 -12.282 -1.023 1.323 1.00 0.00 N ATOM 2035 CA ARG A 143 -11.077 -0.852 2.111 1.00 0.00 C ATOM 2036 C ARG A 143 -11.214 -1.659 3.407 1.00 0.00 C ATOM 2037 O ARG A 143 -11.776 -1.157 4.374 1.00 0.00 O ATOM 2038 CB ARG A 143 -10.903 0.652 2.386 1.00 0.00 C ATOM 2039 CG ARG A 143 -10.960 1.513 1.109 1.00 0.00 C ATOM 2040 CD ARG A 143 -10.803 2.990 1.496 1.00 0.00 C ATOM 2041 NE ARG A 143 -10.837 3.913 0.345 1.00 0.00 N ATOM 2042 CZ ARG A 143 -11.915 4.208 -0.403 1.00 0.00 C ATOM 2043 NH1 ARG A 143 -13.128 3.792 -0.036 1.00 0.00 N ATOM 2044 NH2 ARG A 143 -11.771 4.938 -1.512 1.00 0.00 N ATOM 0 H ARG A 143 -13.039 -0.413 1.632 1.00 0.00 H new ATOM 0 HA ARG A 143 -10.194 -1.216 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -11.682 0.982 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -9.948 0.816 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -10.168 1.218 0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -11.907 1.358 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -11.598 3.261 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -9.859 3.119 2.026 1.00 0.00 H new ATOM 0 HE ARG A 143 -9.961 4.370 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -13.243 3.246 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.940 4.020 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -10.847 5.269 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -12.585 5.164 -2.083 1.00 0.00 H new ATOM 2058 N LEU A 144 -10.711 -2.902 3.431 1.00 0.00 N ATOM 2059 CA LEU A 144 -10.723 -3.736 4.637 1.00 0.00 C ATOM 2060 C LEU A 144 -10.144 -2.984 5.834 1.00 0.00 C ATOM 2061 O LEU A 144 -10.729 -2.996 6.915 1.00 0.00 O ATOM 2062 CB LEU A 144 -9.913 -5.034 4.424 1.00 0.00 C ATOM 2063 CG LEU A 144 -10.694 -6.332 4.129 1.00 0.00 C ATOM 2064 CD1 LEU A 144 -10.679 -7.252 5.350 1.00 0.00 C ATOM 2065 CD2 LEU A 144 -12.154 -6.132 3.707 1.00 0.00 C ATOM 0 H LEU A 144 -10.288 -3.353 2.620 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.764 -3.988 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.221 -4.865 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.310 -5.202 5.316 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.174 -6.772 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.234 -8.163 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.649 -7.507 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -11.143 -6.743 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -12.616 -7.102 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -12.695 -5.618 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -12.191 -5.534 2.797 1.00 0.00 H new ATOM 2077 N ALA A 145 -8.973 -2.372 5.643 1.00 0.00 N ATOM 2078 CA ALA A 145 -8.296 -1.613 6.674 1.00 0.00 C ATOM 2079 C ALA A 145 -7.616 -0.404 6.051 1.00 0.00 C ATOM 2080 O ALA A 145 -7.384 -0.361 4.839 1.00 0.00 O ATOM 2081 CB ALA A 145 -7.310 -2.505 7.436 1.00 0.00 C ATOM 0 H ALA A 145 -8.470 -2.395 4.756 1.00 0.00 H new ATOM 0 HA ALA A 145 -9.022 -1.251 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.810 -1.919 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.850 -3.330 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.568 -2.902 6.743 1.00 0.00 H new ATOM 2087 N CYS A 146 -7.344 0.581 6.901 1.00 0.00 N ATOM 2088 CA CYS A 146 -6.933 1.926 6.555 1.00 0.00 C ATOM 2089 C CYS A 146 -6.141 2.455 7.746 1.00 0.00 C ATOM 2090 O CYS A 146 -6.420 2.078 8.885 1.00 0.00 O ATOM 2091 CB CYS A 146 -8.172 2.782 6.219 1.00 0.00 C ATOM 2092 SG CYS A 146 -9.678 2.454 7.181 1.00 0.00 S ATOM 0 H CYS A 146 -7.410 0.447 7.910 1.00 0.00 H new ATOM 0 HA CYS A 146 -6.304 1.956 5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -7.906 3.831 6.351 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -8.406 2.642 5.164 1.00 0.00 H new ATOM 0 HG CYS A 146 -10.627 3.250 6.786 1.00 0.00 H new ATOM 2097 N GLY A 147 -5.101 3.254 7.493 1.00 0.00 N ATOM 2098 CA GLY A 147 -4.284 3.816 8.562 1.00 0.00 C ATOM 2099 C GLY A 147 -3.475 5.003 8.052 1.00 0.00 C ATOM 2100 O GLY A 147 -3.188 5.077 6.860 1.00 0.00 O ATOM 0 H GLY A 147 -4.808 3.524 6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -4.922 4.132 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.612 3.052 8.953 1.00 0.00 H new ATOM 2104 N VAL A 148 -3.118 5.925 8.949 1.00 0.00 N ATOM 2105 CA VAL A 148 -2.399 7.154 8.631 1.00 0.00 C ATOM 2106 C VAL A 148 -0.912 6.952 8.927 1.00 0.00 C ATOM 2107 O VAL A 148 -0.569 6.260 9.887 1.00 0.00 O ATOM 2108 CB VAL A 148 -2.997 8.315 9.444 1.00 0.00 C ATOM 2109 CG1 VAL A 148 -2.202 9.613 9.247 1.00 0.00 C ATOM 2110 CG2 VAL A 148 -4.452 8.555 9.020 1.00 0.00 C ATOM 0 H VAL A 148 -3.328 5.832 9.943 1.00 0.00 H new ATOM 0 HA VAL A 148 -2.501 7.401 7.574 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.950 8.036 10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.655 10.410 9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.172 9.462 9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -2.214 9.890 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.869 9.378 9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.485 8.805 7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.037 7.653 9.199 1.00 0.00 H new ATOM 2120 N ILE A 149 -0.034 7.529 8.099 1.00 0.00 N ATOM 2121 CA ILE A 149 1.410 7.345 8.211 1.00 0.00 C ATOM 2122 C ILE A 149 2.025 8.523 8.978 1.00 0.00 C ATOM 2123 O ILE A 149 1.839 9.677 8.581 1.00 0.00 O ATOM 2124 CB ILE A 149 2.035 7.214 6.812 1.00 0.00 C ATOM 2125 CG1 ILE A 149 1.292 6.240 5.872 1.00 0.00 C ATOM 2126 CG2 ILE A 149 3.506 6.796 6.933 1.00 0.00 C ATOM 2127 CD1 ILE A 149 1.259 6.805 4.454 1.00 0.00 C ATOM 0 H ILE A 149 -0.311 8.139 7.330 1.00 0.00 H new ATOM 0 HA ILE A 149 1.616 6.428 8.763 1.00 0.00 H new ATOM 0 HB ILE A 149 1.949 8.200 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.789 5.270 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.276 6.079 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 149 3.942 6.705 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 149 4.053 7.549 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.571 5.836 7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 149 0.733 6.111 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 149 0.742 7.765 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.278 6.943 4.094 1.00 0.00 H new ATOM 2139 N GLY A 150 2.773 8.235 10.052 1.00 0.00 N ATOM 2140 CA GLY A 150 3.400 9.219 10.922 1.00 0.00 C ATOM 2141 C GLY A 150 4.789 8.729 11.329 1.00 0.00 C ATOM 2142 O GLY A 150 5.117 7.564 11.141 1.00 0.00 O ATOM 0 H GLY A 150 2.960 7.275 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.477 10.177 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 150 2.786 9.381 11.808 1.00 0.00 H new ATOM 2146 N ILE A 151 5.624 9.620 11.861 1.00 0.00 N ATOM 2147 CA ILE A 151 6.978 9.321 12.298 1.00 0.00 C ATOM 2148 C ILE A 151 6.935 8.284 13.428 1.00 0.00 C ATOM 2149 O ILE A 151 6.086 8.364 14.314 1.00 0.00 O ATOM 2150 CB ILE A 151 7.705 10.609 12.733 1.00 0.00 C ATOM 2151 CG1 ILE A 151 7.532 11.751 11.710 1.00 0.00 C ATOM 2152 CG2 ILE A 151 9.205 10.324 12.905 1.00 0.00 C ATOM 2153 CD1 ILE A 151 6.533 12.817 12.177 1.00 0.00 C ATOM 0 H ILE A 151 5.365 10.597 12.002 1.00 0.00 H new ATOM 0 HA ILE A 151 7.543 8.898 11.467 1.00 0.00 H new ATOM 0 HB ILE A 151 7.261 10.927 13.676 1.00 0.00 H new ATOM 0 HG12 ILE A 151 8.499 12.220 11.528 1.00 0.00 H new ATOM 0 HG13 ILE A 151 7.196 11.335 10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 151 9.716 11.236 13.212 1.00 0.00 H new ATOM 0 HG22 ILE A 151 9.345 9.556 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 151 9.620 9.977 11.959 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.451 13.596 11.419 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.557 12.358 12.333 1.00 0.00 H new ATOM 0 HD13 ILE A 151 6.880 13.256 13.112 1.00 0.00 H new ATOM 2165 N ALA A 152 7.838 7.305 13.377 1.00 0.00 N ATOM 2166 CA ALA A 152 7.965 6.252 14.380 1.00 0.00 C ATOM 2167 C ALA A 152 8.996 6.593 15.442 1.00 0.00 C ATOM 2168 O ALA A 152 9.534 7.698 15.465 1.00 0.00 O ATOM 2169 CB ALA A 152 8.343 4.947 13.681 1.00 0.00 C ATOM 0 H ALA A 152 8.516 7.222 12.620 1.00 0.00 H new ATOM 0 HA ALA A 152 7.007 6.147 14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 152 8.441 4.153 14.421 1.00 0.00 H new ATOM 0 HB2 ALA A 152 7.567 4.681 12.963 1.00 0.00 H new ATOM 0 HB3 ALA A 152 9.291 5.075 13.159 1.00 0.00 H new ATOM 2175 N GLN A 153 9.267 5.613 16.310 1.00 0.00 N ATOM 2176 CA GLN A 153 10.442 5.655 17.148 1.00 0.00 C ATOM 2177 C GLN A 153 11.656 5.224 16.301 1.00 0.00 C ATOM 2178 O GLN A 153 12.766 5.736 16.572 1.00 0.00 O ATOM 2179 CB GLN A 153 10.292 4.753 18.385 1.00 0.00 C ATOM 2180 CG GLN A 153 8.993 4.982 19.177 1.00 0.00 C ATOM 2181 CD GLN A 153 9.188 4.843 20.689 1.00 0.00 C ATOM 2182 OE1 GLN A 153 8.710 5.668 21.459 1.00 0.00 O ATOM 2183 NE2 GLN A 153 9.894 3.807 21.137 1.00 0.00 N ATOM 2184 OXT GLN A 153 11.463 4.359 15.408 1.00 0.00 O ATOM 0 H GLN A 153 8.682 4.788 16.441 1.00 0.00 H new ATOM 0 HA GLN A 153 10.583 6.671 17.518 1.00 0.00 H new ATOM 0 HB2 GLN A 153 10.333 3.711 18.068 1.00 0.00 H new ATOM 0 HB3 GLN A 153 11.142 4.918 19.047 1.00 0.00 H new ATOM 0 HG2 GLN A 153 8.608 5.977 18.955 1.00 0.00 H new ATOM 0 HG3 GLN A 153 8.240 4.267 18.845 1.00 0.00 H new ATOM 0 HE21 GLN A 153 10.283 3.132 20.479 1.00 0.00 H new ATOM 0 HE22 GLN A 153 10.046 3.688 22.139 1.00 0.00 H new