USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 616 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 72 THR OG1 : rot -150:sc=-0.00546 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.12 K(o=0.92,f=-6.8!) USER MOD Set 1.3: A 74 ASN : amide:sc= 1.05 K(o=0.92,f=0.35) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.02) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -169:sc= -0.0232 (180deg=-0.251) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.29) USER MOD Single : A 55 GLN : amide:sc= 1.22 K(o=1.2,f=-0.033) USER MOD Single : A 57 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.11) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 43:sc= 0.25 USER MOD Single : A 78 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 83 THR OG1 : rot 36:sc= 0.00588 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.2) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 8.274 -11.019 -2.492 1.00 0.00 N ATOM 45 CA GLU A 4 7.156 -11.560 -3.215 1.00 0.00 C ATOM 46 C GLU A 4 6.114 -10.494 -3.366 1.00 0.00 C ATOM 47 O GLU A 4 5.431 -10.168 -2.410 1.00 0.00 O ATOM 48 CB GLU A 4 6.591 -12.802 -2.527 1.00 0.00 C ATOM 49 CG GLU A 4 5.380 -13.402 -3.232 1.00 0.00 C ATOM 50 CD GLU A 4 5.046 -14.795 -2.768 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.612 -14.980 -1.617 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.200 -15.738 -3.568 1.00 0.00 O ATOM 0 HA GLU A 4 7.489 -11.879 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.374 -13.558 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.313 -12.544 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.517 -12.756 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.566 -13.420 -4.306 1.00 0.00 H new ATOM 59 N LEU A 5 6.055 -9.896 -4.535 1.00 0.00 N ATOM 60 CA LEU A 5 5.104 -8.858 -4.804 1.00 0.00 C ATOM 61 C LEU A 5 3.813 -9.473 -5.301 1.00 0.00 C ATOM 62 O LEU A 5 3.802 -10.249 -6.275 1.00 0.00 O ATOM 63 CB LEU A 5 5.647 -7.834 -5.822 1.00 0.00 C ATOM 64 CG LEU A 5 6.973 -7.108 -5.473 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.996 -6.617 -4.055 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.209 -7.933 -5.802 1.00 0.00 C ATOM 0 H LEU A 5 6.667 -10.120 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 5 4.915 -8.317 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.785 -8.347 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.880 -7.076 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 5 7.008 -6.231 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.944 -6.116 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.176 -5.916 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.885 -7.462 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.104 -7.370 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.185 -8.865 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.225 -8.155 -6.869 1.00 0.00 H new ATOM 78 N PHE A 6 2.750 -9.151 -4.650 1.00 0.00 N ATOM 79 CA PHE A 6 1.476 -9.708 -4.949 1.00 0.00 C ATOM 80 C PHE A 6 0.398 -8.642 -5.057 1.00 0.00 C ATOM 81 O PHE A 6 0.387 -7.669 -4.318 1.00 0.00 O ATOM 82 CB PHE A 6 1.086 -10.768 -3.908 1.00 0.00 C ATOM 83 CG PHE A 6 1.276 -10.346 -2.484 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.341 -9.552 -1.862 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.399 -10.729 -1.780 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.517 -9.141 -0.556 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.590 -10.327 -0.479 1.00 0.00 C ATOM 88 CZ PHE A 6 1.648 -9.528 0.139 1.00 0.00 C ATOM 0 H PHE A 6 2.741 -8.481 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 6 1.556 -10.189 -5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.040 -11.036 -4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.674 -11.668 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.543 -9.246 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.139 -11.354 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.226 -8.519 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.475 -10.635 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.794 -9.207 1.160 1.00 0.00 H new ATOM 98 N PRO A 7 -0.485 -8.805 -5.999 1.00 0.00 N ATOM 99 CA PRO A 7 -1.622 -7.936 -6.153 1.00 0.00 C ATOM 100 C PRO A 7 -2.775 -8.328 -5.235 1.00 0.00 C ATOM 101 O PRO A 7 -3.221 -9.497 -5.196 1.00 0.00 O ATOM 102 CB PRO A 7 -2.031 -8.162 -7.582 1.00 0.00 C ATOM 103 CG PRO A 7 -1.641 -9.582 -7.857 1.00 0.00 C ATOM 104 CD PRO A 7 -0.430 -9.844 -7.030 1.00 0.00 C ATOM 0 HA PRO A 7 -1.379 -6.903 -5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.102 -8.010 -7.718 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.523 -7.472 -8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.448 -10.266 -7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.430 -9.730 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.451 -10.843 -6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.483 -9.773 -7.622 1.00 0.00 H new ATOM 112 N VAL A 8 -3.224 -7.402 -4.480 1.00 0.00 N ATOM 113 CA VAL A 8 -4.389 -7.599 -3.693 1.00 0.00 C ATOM 114 C VAL A 8 -5.475 -6.762 -4.307 1.00 0.00 C ATOM 115 O VAL A 8 -5.411 -5.534 -4.272 1.00 0.00 O ATOM 116 CB VAL A 8 -4.199 -7.191 -2.209 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.426 -7.547 -1.375 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.946 -7.812 -1.630 1.00 0.00 C ATOM 0 H VAL A 8 -2.797 -6.481 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.633 -8.661 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.081 -6.108 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.261 -7.248 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.298 -7.025 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.597 -8.623 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.838 -7.509 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.019 -8.898 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.078 -7.477 -2.198 1.00 0.00 H new ATOM 128 N GLU A 9 -6.417 -7.403 -4.912 1.00 0.00 N ATOM 129 CA GLU A 9 -7.500 -6.724 -5.520 1.00 0.00 C ATOM 130 C GLU A 9 -8.576 -6.662 -4.504 1.00 0.00 C ATOM 131 O GLU A 9 -9.229 -7.670 -4.194 1.00 0.00 O ATOM 132 CB GLU A 9 -7.975 -7.421 -6.798 1.00 0.00 C ATOM 133 CG GLU A 9 -9.141 -6.719 -7.484 1.00 0.00 C ATOM 134 CD GLU A 9 -9.563 -7.407 -8.750 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.051 -8.548 -8.686 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.421 -6.820 -9.847 1.00 0.00 O ATOM 0 H GLU A 9 -6.453 -8.419 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.196 -5.725 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.141 -7.487 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.269 -8.442 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.988 -6.675 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.859 -5.691 -7.710 1.00 0.00 H new ATOM 143 N LEU A 10 -8.722 -5.533 -3.930 1.00 0.00 N ATOM 144 CA LEU A 10 -9.643 -5.380 -2.893 1.00 0.00 C ATOM 145 C LEU A 10 -10.830 -4.673 -3.455 1.00 0.00 C ATOM 146 O LEU A 10 -10.714 -3.965 -4.461 1.00 0.00 O ATOM 147 CB LEU A 10 -9.011 -4.567 -1.772 1.00 0.00 C ATOM 148 CG LEU A 10 -9.218 -5.060 -0.331 1.00 0.00 C ATOM 149 CD1 LEU A 10 -8.543 -4.138 0.618 1.00 0.00 C ATOM 150 CD2 LEU A 10 -10.680 -5.199 0.022 1.00 0.00 C ATOM 0 H LEU A 10 -8.201 -4.690 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.943 -6.344 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.938 -4.515 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.396 -3.549 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.775 -6.053 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.693 -4.492 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.476 -4.106 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.964 -3.138 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.774 -5.550 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.172 -4.231 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.150 -5.916 -0.651 1.00 0.00 H new ATOM 162 N GLU A 11 -11.938 -4.887 -2.851 1.00 0.00 N ATOM 163 CA GLU A 11 -13.141 -4.257 -3.228 1.00 0.00 C ATOM 164 C GLU A 11 -13.664 -3.530 -2.020 1.00 0.00 C ATOM 165 O GLU A 11 -14.150 -4.141 -1.056 1.00 0.00 O ATOM 166 CB GLU A 11 -14.164 -5.262 -3.748 1.00 0.00 C ATOM 167 CG GLU A 11 -15.459 -4.621 -4.226 1.00 0.00 C ATOM 168 CD GLU A 11 -16.478 -5.636 -4.652 1.00 0.00 C ATOM 169 OE1 GLU A 11 -17.117 -6.250 -3.774 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.669 -5.836 -5.870 1.00 0.00 O ATOM 0 H GLU A 11 -12.034 -5.523 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.956 -3.560 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.722 -5.825 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.392 -5.977 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.874 -4.008 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.244 -3.954 -5.061 1.00 0.00 H new ATOM 177 N LYS A 12 -13.430 -2.268 -2.015 1.00 0.00 N ATOM 178 CA LYS A 12 -13.912 -1.401 -0.999 1.00 0.00 C ATOM 179 C LYS A 12 -15.244 -0.822 -1.420 1.00 0.00 C ATOM 180 O LYS A 12 -15.737 -1.116 -2.514 1.00 0.00 O ATOM 181 CB LYS A 12 -12.863 -0.319 -0.673 1.00 0.00 C ATOM 182 CG LYS A 12 -11.639 -0.871 0.057 1.00 0.00 C ATOM 183 CD LYS A 12 -11.971 -1.447 1.424 1.00 0.00 C ATOM 184 CE LYS A 12 -11.741 -0.514 2.609 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.686 0.624 2.651 1.00 0.00 N ATOM 0 H LYS A 12 -12.884 -1.796 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.076 -1.959 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.542 0.158 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.326 0.454 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.177 -1.646 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.903 -0.075 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.017 -1.754 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.375 -2.347 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.829 -1.084 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.722 -0.130 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.395 1.290 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.685 1.110 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.643 0.273 2.856 1.00 0.00 H new ATOM 199 N ASP A 13 -15.823 -0.024 -0.582 1.00 0.00 N ATOM 200 CA ASP A 13 -17.124 0.527 -0.856 1.00 0.00 C ATOM 201 C ASP A 13 -16.944 1.975 -1.342 1.00 0.00 C ATOM 202 O ASP A 13 -15.843 2.351 -1.769 1.00 0.00 O ATOM 203 CB ASP A 13 -18.016 0.358 0.407 1.00 0.00 C ATOM 204 CG ASP A 13 -19.471 0.770 0.265 1.00 0.00 C ATOM 205 OD1 ASP A 13 -20.315 -0.050 -0.135 1.00 0.00 O ATOM 206 OD2 ASP A 13 -19.793 1.918 0.573 1.00 0.00 O ATOM 0 H ASP A 13 -15.417 0.267 0.307 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.646 0.002 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.985 -0.689 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.574 0.937 1.218 1.00 0.00 H new ATOM 211 N GLU A 14 -17.961 2.771 -1.268 1.00 0.00 N ATOM 212 CA GLU A 14 -17.954 4.099 -1.868 1.00 0.00 C ATOM 213 C GLU A 14 -17.141 5.119 -1.078 1.00 0.00 C ATOM 214 O GLU A 14 -16.852 6.207 -1.580 1.00 0.00 O ATOM 215 CB GLU A 14 -19.378 4.585 -2.118 1.00 0.00 C ATOM 216 CG GLU A 14 -20.255 4.585 -0.890 1.00 0.00 C ATOM 217 CD GLU A 14 -21.662 4.978 -1.196 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.398 4.182 -1.809 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.076 6.077 -0.803 1.00 0.00 O ATOM 0 H GLU A 14 -18.831 2.533 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.446 4.003 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.339 5.596 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.837 3.954 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.247 3.592 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.841 5.271 -0.151 1.00 0.00 H new ATOM 226 N ASP A 15 -16.777 4.785 0.143 1.00 0.00 N ATOM 227 CA ASP A 15 -15.950 5.687 0.955 1.00 0.00 C ATOM 228 C ASP A 15 -14.545 5.736 0.413 1.00 0.00 C ATOM 229 O ASP A 15 -13.950 6.805 0.279 1.00 0.00 O ATOM 230 CB ASP A 15 -15.910 5.255 2.422 1.00 0.00 C ATOM 231 CG ASP A 15 -14.932 6.061 3.257 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.215 7.242 3.561 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.862 5.517 3.632 1.00 0.00 O ATOM 0 H ASP A 15 -17.031 3.909 0.600 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.403 6.677 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.908 5.351 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.640 4.200 2.476 1.00 0.00 H new ATOM 238 N GLY A 16 -14.035 4.589 0.083 1.00 0.00 N ATOM 239 CA GLY A 16 -12.694 4.497 -0.393 1.00 0.00 C ATOM 240 C GLY A 16 -11.967 3.522 0.452 1.00 0.00 C ATOM 241 O GLY A 16 -12.491 2.444 0.720 1.00 0.00 O ATOM 0 H GLY A 16 -14.533 3.700 0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.682 4.179 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.208 5.472 -0.351 1.00 0.00 H new ATOM 245 N LEU A 17 -10.811 3.868 0.930 1.00 0.00 N ATOM 246 CA LEU A 17 -10.092 2.937 1.764 1.00 0.00 C ATOM 247 C LEU A 17 -10.268 3.309 3.181 1.00 0.00 C ATOM 248 O LEU A 17 -10.814 2.548 3.955 1.00 0.00 O ATOM 249 CB LEU A 17 -8.607 2.900 1.480 1.00 0.00 C ATOM 250 CG LEU A 17 -8.186 2.845 0.045 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.711 2.607 -0.040 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.959 1.815 -0.754 1.00 0.00 C ATOM 0 H LEU A 17 -10.349 4.763 0.767 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.503 1.951 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.155 3.783 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.187 2.032 1.989 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.420 3.809 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.409 2.568 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.182 3.418 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.467 1.662 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.611 1.820 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.801 0.827 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.022 2.057 -0.728 1.00 0.00 H new ATOM 264 N GLY A 18 -9.824 4.491 3.504 1.00 0.00 N ATOM 265 CA GLY A 18 -9.824 4.940 4.850 1.00 0.00 C ATOM 266 C GLY A 18 -8.633 4.387 5.583 1.00 0.00 C ATOM 267 O GLY A 18 -8.704 4.126 6.780 1.00 0.00 O ATOM 0 H GLY A 18 -9.453 5.164 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.803 6.029 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.743 4.626 5.345 1.00 0.00 H new ATOM 271 N ILE A 19 -7.539 4.154 4.862 1.00 0.00 N ATOM 272 CA ILE A 19 -6.350 3.609 5.508 1.00 0.00 C ATOM 273 C ILE A 19 -5.286 4.690 5.698 1.00 0.00 C ATOM 274 O ILE A 19 -5.463 5.831 5.263 1.00 0.00 O ATOM 275 CB ILE A 19 -5.741 2.384 4.764 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.084 2.790 3.451 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.819 1.339 4.503 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.347 1.652 2.771 1.00 0.00 C ATOM 0 H ILE A 19 -7.451 4.328 3.861 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.683 3.249 6.482 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.970 1.959 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.847 3.175 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.385 3.605 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.382 0.487 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.241 1.007 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.607 1.775 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.903 2.010 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.561 1.282 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.046 0.845 2.552 1.00 0.00 H new ATOM 290 N SER A 20 -4.198 4.327 6.327 1.00 0.00 N ATOM 291 CA SER A 20 -3.127 5.251 6.627 1.00 0.00 C ATOM 292 C SER A 20 -1.780 4.603 6.299 1.00 0.00 C ATOM 293 O SER A 20 -1.636 3.382 6.390 1.00 0.00 O ATOM 294 CB SER A 20 -3.208 5.626 8.113 1.00 0.00 C ATOM 295 OG SER A 20 -4.507 6.127 8.446 1.00 0.00 O ATOM 0 H SER A 20 -4.026 3.375 6.649 1.00 0.00 H new ATOM 0 HA SER A 20 -3.223 6.154 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.984 4.752 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.454 6.379 8.343 1.00 0.00 H new ATOM 0 HG SER A 20 -4.534 6.358 9.398 1.00 0.00 H new ATOM 301 N ILE A 21 -0.816 5.413 5.931 1.00 0.00 N ATOM 302 CA ILE A 21 0.504 4.953 5.530 1.00 0.00 C ATOM 303 C ILE A 21 1.561 5.542 6.444 1.00 0.00 C ATOM 304 O ILE A 21 1.283 6.480 7.200 1.00 0.00 O ATOM 305 CB ILE A 21 0.804 5.368 4.053 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.771 6.907 3.860 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.153 4.683 3.087 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.087 7.609 4.088 1.00 0.00 C ATOM 0 H ILE A 21 -0.922 6.427 5.899 1.00 0.00 H new ATOM 0 HA ILE A 21 0.525 3.866 5.604 1.00 0.00 H new ATOM 0 HB ILE A 21 1.817 5.035 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.432 7.123 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.030 7.327 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.078 4.990 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.046 3.602 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.178 4.967 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.960 8.680 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.422 7.431 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.830 7.224 3.390 1.00 0.00 H new ATOM 320 N ILE A 22 2.743 5.007 6.386 1.00 0.00 N ATOM 321 CA ILE A 22 3.840 5.541 7.110 1.00 0.00 C ATOM 322 C ILE A 22 5.095 5.463 6.256 1.00 0.00 C ATOM 323 O ILE A 22 5.405 4.416 5.683 1.00 0.00 O ATOM 324 CB ILE A 22 4.027 4.853 8.487 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.155 5.516 9.279 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.240 3.354 8.356 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.387 4.912 10.635 1.00 0.00 C ATOM 0 H ILE A 22 2.968 4.182 5.829 1.00 0.00 H new ATOM 0 HA ILE A 22 3.632 6.588 7.331 1.00 0.00 H new ATOM 0 HB ILE A 22 3.101 4.987 9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.077 5.452 8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.927 6.575 9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.366 2.916 9.346 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.375 2.905 7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.132 3.164 7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.202 5.437 11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.480 5.000 11.233 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.648 3.859 10.525 1.00 0.00 H new ATOM 339 N GLY A 23 5.768 6.567 6.121 1.00 0.00 N ATOM 340 CA GLY A 23 6.941 6.623 5.306 1.00 0.00 C ATOM 341 C GLY A 23 8.173 6.390 6.100 1.00 0.00 C ATOM 342 O GLY A 23 8.554 7.218 6.929 1.00 0.00 O ATOM 0 H GLY A 23 5.520 7.448 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.871 5.876 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.000 7.597 4.820 1.00 0.00 H new ATOM 346 N MET A 24 8.774 5.265 5.890 1.00 0.00 N ATOM 347 CA MET A 24 9.994 4.897 6.593 1.00 0.00 C ATOM 348 C MET A 24 11.047 4.538 5.573 1.00 0.00 C ATOM 349 O MET A 24 11.087 3.414 5.098 1.00 0.00 O ATOM 350 CB MET A 24 9.757 3.712 7.552 1.00 0.00 C ATOM 351 CG MET A 24 8.636 3.930 8.567 1.00 0.00 C ATOM 352 SD MET A 24 8.891 5.378 9.636 1.00 0.00 S ATOM 353 CE MET A 24 10.400 4.935 10.491 1.00 0.00 C ATOM 0 H MET A 24 8.445 4.562 5.228 1.00 0.00 H new ATOM 0 HA MET A 24 10.324 5.743 7.196 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.528 2.824 6.962 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.682 3.507 8.091 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.692 4.045 8.034 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.544 3.041 9.190 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.570 5.631 11.312 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.311 3.923 10.885 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.239 4.981 9.796 1.00 0.00 H new ATOM 363 N GLY A 25 11.848 5.521 5.198 1.00 0.00 N ATOM 364 CA GLY A 25 12.851 5.362 4.155 1.00 0.00 C ATOM 365 C GLY A 25 13.852 4.244 4.399 1.00 0.00 C ATOM 366 O GLY A 25 14.842 4.429 5.103 1.00 0.00 O ATOM 0 H GLY A 25 11.822 6.454 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.344 5.177 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.395 6.301 4.047 1.00 0.00 H new ATOM 488 N LEU A 35 11.056 2.106 -1.703 1.00 0.00 N ATOM 489 CA LEU A 35 10.076 2.850 -0.954 1.00 0.00 C ATOM 490 C LEU A 35 9.988 2.281 0.462 1.00 0.00 C ATOM 491 O LEU A 35 10.222 1.087 0.676 1.00 0.00 O ATOM 492 CB LEU A 35 8.721 2.693 -1.657 1.00 0.00 C ATOM 493 CG LEU A 35 8.113 1.281 -1.640 1.00 0.00 C ATOM 494 CD1 LEU A 35 7.029 1.158 -0.600 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.618 0.866 -2.994 1.00 0.00 C ATOM 0 HA LEU A 35 10.352 3.903 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.012 3.378 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.834 3.006 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 35 8.914 0.595 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.622 0.147 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.445 1.366 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.235 1.872 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.197 -0.138 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.850 1.563 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.447 0.871 -3.702 1.00 0.00 H new ATOM 507 N GLY A 36 9.656 3.101 1.397 1.00 0.00 N ATOM 508 CA GLY A 36 9.523 2.636 2.734 1.00 0.00 C ATOM 509 C GLY A 36 8.156 2.906 3.252 1.00 0.00 C ATOM 510 O GLY A 36 7.963 3.141 4.428 1.00 0.00 O ATOM 0 H GLY A 36 9.472 4.095 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.727 1.566 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.261 3.125 3.369 1.00 0.00 H new ATOM 514 N ILE A 37 7.208 2.900 2.371 1.00 0.00 N ATOM 515 CA ILE A 37 5.853 3.163 2.740 1.00 0.00 C ATOM 516 C ILE A 37 5.203 1.919 3.285 1.00 0.00 C ATOM 517 O ILE A 37 4.847 0.999 2.552 1.00 0.00 O ATOM 518 CB ILE A 37 5.016 3.726 1.579 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.673 4.998 1.011 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.589 4.022 2.066 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.611 6.196 1.915 1.00 0.00 C ATOM 0 H ILE A 37 7.350 2.713 1.378 1.00 0.00 H new ATOM 0 HA ILE A 37 5.886 3.929 3.515 1.00 0.00 H new ATOM 0 HB ILE A 37 4.968 2.985 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.718 4.782 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.191 5.248 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.998 4.421 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.130 3.102 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.624 4.753 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.098 7.042 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.569 6.445 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.120 5.971 2.852 1.00 0.00 H new ATOM 533 N PHE A 38 5.076 1.894 4.554 1.00 0.00 N ATOM 534 CA PHE A 38 4.434 0.824 5.228 1.00 0.00 C ATOM 535 C PHE A 38 3.040 1.254 5.535 1.00 0.00 C ATOM 536 O PHE A 38 2.714 2.450 5.427 1.00 0.00 O ATOM 537 CB PHE A 38 5.193 0.433 6.507 1.00 0.00 C ATOM 538 CG PHE A 38 6.549 -0.180 6.264 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.671 -1.541 6.030 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.696 0.596 6.276 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.910 -2.114 5.812 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.938 0.030 6.058 1.00 0.00 C ATOM 543 CZ PHE A 38 9.045 -1.326 5.826 1.00 0.00 C ATOM 0 H PHE A 38 5.421 2.629 5.171 1.00 0.00 H new ATOM 0 HA PHE A 38 4.421 -0.063 4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.315 1.320 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.585 -0.272 7.074 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.787 -2.161 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.619 1.658 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.991 -3.176 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.823 0.648 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.014 -1.771 5.656 1.00 0.00 H new ATOM 553 N VAL A 39 2.214 0.333 5.859 1.00 0.00 N ATOM 554 CA VAL A 39 0.879 0.653 6.215 1.00 0.00 C ATOM 555 C VAL A 39 0.875 1.067 7.682 1.00 0.00 C ATOM 556 O VAL A 39 1.492 0.416 8.525 1.00 0.00 O ATOM 557 CB VAL A 39 -0.075 -0.542 5.957 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.521 -0.159 6.232 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.080 -1.041 4.522 1.00 0.00 C ATOM 0 H VAL A 39 2.439 -0.661 5.886 1.00 0.00 H new ATOM 0 HA VAL A 39 0.513 1.473 5.598 1.00 0.00 H new ATOM 0 HB VAL A 39 0.195 -1.346 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.167 -1.016 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.624 0.150 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.810 0.664 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.595 -1.880 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.162 -0.236 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.108 -1.364 4.358 1.00 0.00 H new ATOM 569 N LYS A 40 0.257 2.172 7.971 1.00 0.00 N ATOM 570 CA LYS A 40 0.220 2.664 9.323 1.00 0.00 C ATOM 571 C LYS A 40 -1.004 2.146 10.020 1.00 0.00 C ATOM 572 O LYS A 40 -0.942 1.695 11.148 1.00 0.00 O ATOM 573 CB LYS A 40 0.254 4.208 9.353 1.00 0.00 C ATOM 574 CG LYS A 40 0.108 4.907 10.736 1.00 0.00 C ATOM 575 CD LYS A 40 1.326 4.790 11.690 1.00 0.00 C ATOM 576 CE LYS A 40 1.577 3.378 12.187 1.00 0.00 C ATOM 577 NZ LYS A 40 2.594 3.320 13.255 1.00 0.00 N ATOM 0 H LYS A 40 -0.231 2.754 7.290 1.00 0.00 H new ATOM 0 HA LYS A 40 1.105 2.304 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.196 4.532 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.543 4.574 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.095 5.964 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.764 4.492 11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.217 5.148 11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.170 5.445 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.643 2.957 12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.898 2.755 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.725 2.333 13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.495 3.695 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.279 3.890 14.066 1.00 0.00 H new ATOM 591 N THR A 41 -2.113 2.215 9.351 1.00 0.00 N ATOM 592 CA THR A 41 -3.361 1.800 9.914 1.00 0.00 C ATOM 593 C THR A 41 -4.248 1.420 8.752 1.00 0.00 C ATOM 594 O THR A 41 -3.985 1.826 7.608 1.00 0.00 O ATOM 595 CB THR A 41 -4.036 2.974 10.638 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.052 3.794 11.307 1.00 0.00 O ATOM 597 CG2 THR A 41 -5.027 2.494 11.680 1.00 0.00 C ATOM 0 H THR A 41 -2.179 2.562 8.394 1.00 0.00 H new ATOM 0 HA THR A 41 -3.204 0.983 10.618 1.00 0.00 H new ATOM 0 HB THR A 41 -4.560 3.551 9.876 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.500 4.538 11.761 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.484 3.353 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.801 1.897 11.198 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.509 1.886 12.422 1.00 0.00 H new ATOM 605 N VAL A 42 -5.277 0.695 9.018 1.00 0.00 N ATOM 606 CA VAL A 42 -6.202 0.300 8.021 1.00 0.00 C ATOM 607 C VAL A 42 -7.564 0.719 8.547 1.00 0.00 C ATOM 608 O VAL A 42 -7.696 0.980 9.740 1.00 0.00 O ATOM 609 CB VAL A 42 -6.165 -1.244 7.767 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.003 -1.608 6.571 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.749 -1.747 7.565 1.00 0.00 C ATOM 0 H VAL A 42 -5.502 0.355 9.953 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.965 0.765 7.064 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.575 -1.723 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.963 -2.686 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.036 -1.305 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.618 -1.097 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.766 -2.823 7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.305 -1.248 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.156 -1.532 8.454 1.00 0.00 H new ATOM 621 N THR A 43 -8.535 0.823 7.700 1.00 0.00 N ATOM 622 CA THR A 43 -9.834 1.239 8.110 1.00 0.00 C ATOM 623 C THR A 43 -10.538 0.136 8.906 1.00 0.00 C ATOM 624 O THR A 43 -10.378 -1.065 8.644 1.00 0.00 O ATOM 625 CB THR A 43 -10.707 1.620 6.897 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.972 2.130 7.332 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.943 0.400 6.052 1.00 0.00 C ATOM 0 H THR A 43 -8.449 0.622 6.704 1.00 0.00 H new ATOM 0 HA THR A 43 -9.704 2.115 8.745 1.00 0.00 H new ATOM 0 HB THR A 43 -10.189 2.387 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.514 2.369 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.560 0.666 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.987 0.008 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.453 -0.360 6.644 1.00 0.00 H new ATOM 664 N ALA A 47 -14.494 -3.728 4.805 1.00 0.00 N ATOM 665 CA ALA A 47 -13.941 -4.328 3.585 1.00 0.00 C ATOM 666 C ALA A 47 -12.418 -4.510 3.565 1.00 0.00 C ATOM 667 O ALA A 47 -11.949 -5.489 3.028 1.00 0.00 O ATOM 668 CB ALA A 47 -14.446 -3.618 2.333 1.00 0.00 C ATOM 0 HA ALA A 47 -14.326 -5.348 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.016 -4.089 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.533 -3.688 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.151 -2.569 2.365 1.00 0.00 H new ATOM 674 N ALA A 48 -11.660 -3.611 4.159 1.00 0.00 N ATOM 675 CA ALA A 48 -10.177 -3.716 4.092 1.00 0.00 C ATOM 676 C ALA A 48 -9.663 -4.669 5.121 1.00 0.00 C ATOM 677 O ALA A 48 -9.005 -5.635 4.803 1.00 0.00 O ATOM 678 CB ALA A 48 -9.506 -2.378 4.265 1.00 0.00 C ATOM 0 H ALA A 48 -12.013 -2.812 4.685 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.934 -4.091 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.425 -2.503 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.834 -1.702 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.773 -1.960 5.236 1.00 0.00 H new ATOM 684 N GLN A 49 -9.982 -4.411 6.361 1.00 0.00 N ATOM 685 CA GLN A 49 -9.583 -5.313 7.419 1.00 0.00 C ATOM 686 C GLN A 49 -10.426 -6.573 7.387 1.00 0.00 C ATOM 687 O GLN A 49 -10.073 -7.594 7.960 1.00 0.00 O ATOM 688 CB GLN A 49 -9.616 -4.627 8.767 1.00 0.00 C ATOM 689 CG GLN A 49 -8.460 -3.678 8.973 1.00 0.00 C ATOM 690 CD GLN A 49 -8.418 -3.023 10.352 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.339 -2.740 10.870 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.559 -2.736 10.928 1.00 0.00 N ATOM 0 H GLN A 49 -10.511 -3.594 6.666 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.548 -5.611 7.251 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.552 -4.078 8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.604 -5.382 9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.528 -4.220 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.508 -2.897 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.437 -2.984 10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.569 -2.264 11.832 1.00 0.00 H new ATOM 701 N ARG A 50 -11.542 -6.491 6.692 1.00 0.00 N ATOM 702 CA ARG A 50 -12.366 -7.642 6.476 1.00 0.00 C ATOM 703 C ARG A 50 -11.858 -8.467 5.301 1.00 0.00 C ATOM 704 O ARG A 50 -12.244 -9.616 5.140 1.00 0.00 O ATOM 705 CB ARG A 50 -13.825 -7.268 6.311 1.00 0.00 C ATOM 706 CG ARG A 50 -14.494 -6.772 7.592 1.00 0.00 C ATOM 707 CD ARG A 50 -14.551 -7.846 8.691 1.00 0.00 C ATOM 708 NE ARG A 50 -13.249 -8.072 9.352 1.00 0.00 N ATOM 709 CZ ARG A 50 -12.714 -9.274 9.651 1.00 0.00 C ATOM 710 NH1 ARG A 50 -13.268 -10.391 9.190 1.00 0.00 N ATOM 711 NH2 ARG A 50 -11.594 -9.338 10.370 1.00 0.00 N ATOM 0 H ARG A 50 -11.892 -5.631 6.269 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.300 -8.264 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.906 -6.493 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.371 -8.136 5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.951 -5.904 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.507 -6.440 7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.285 -7.551 9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.898 -8.783 8.256 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.707 -7.246 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.103 -10.343 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.858 -11.296 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.145 -8.481 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.186 -10.244 10.599 1.00 0.00 H new ATOM 725 N ASP A 51 -11.004 -7.857 4.462 1.00 0.00 N ATOM 726 CA ASP A 51 -10.338 -8.592 3.372 1.00 0.00 C ATOM 727 C ASP A 51 -9.472 -9.699 3.946 1.00 0.00 C ATOM 728 O ASP A 51 -9.682 -10.881 3.662 1.00 0.00 O ATOM 729 CB ASP A 51 -9.492 -7.656 2.503 1.00 0.00 C ATOM 730 CG ASP A 51 -8.570 -8.397 1.565 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.045 -8.954 0.553 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.365 -8.469 1.853 1.00 0.00 O ATOM 0 H ASP A 51 -10.760 -6.868 4.516 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.110 -9.030 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.152 -7.013 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.900 -7.006 3.148 1.00 0.00 H new ATOM 737 N GLY A 52 -8.492 -9.318 4.729 1.00 0.00 N ATOM 738 CA GLY A 52 -7.700 -10.290 5.437 1.00 0.00 C ATOM 739 C GLY A 52 -6.445 -10.729 4.721 1.00 0.00 C ATOM 740 O GLY A 52 -5.611 -11.432 5.311 1.00 0.00 O ATOM 0 H GLY A 52 -8.226 -8.347 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.422 -9.875 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.316 -11.168 5.631 1.00 0.00 H new ATOM 744 N ARG A 53 -6.293 -10.357 3.476 1.00 0.00 N ATOM 745 CA ARG A 53 -5.107 -10.721 2.742 1.00 0.00 C ATOM 746 C ARG A 53 -4.112 -9.609 2.991 1.00 0.00 C ATOM 747 O ARG A 53 -2.933 -9.854 3.288 1.00 0.00 O ATOM 748 CB ARG A 53 -5.426 -10.845 1.238 1.00 0.00 C ATOM 749 CG ARG A 53 -4.481 -11.733 0.416 1.00 0.00 C ATOM 750 CD ARG A 53 -3.034 -11.283 0.432 1.00 0.00 C ATOM 751 NE ARG A 53 -2.179 -12.204 -0.314 1.00 0.00 N ATOM 752 CZ ARG A 53 -0.896 -12.469 -0.036 1.00 0.00 C ATOM 753 NH1 ARG A 53 -0.299 -11.912 1.017 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.220 -13.301 -0.808 1.00 0.00 N ATOM 0 H ARG A 53 -6.971 -9.805 2.951 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.712 -11.685 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.439 -11.234 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.422 -9.845 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.537 -12.753 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.830 -11.758 -0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.958 -10.284 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.685 -11.214 1.462 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.594 -12.685 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.820 -11.276 1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.679 -12.121 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.676 -13.737 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.757 -13.507 -0.602 1.00 0.00 H new ATOM 768 N ILE A 54 -4.602 -8.393 2.885 1.00 0.00 N ATOM 769 CA ILE A 54 -3.810 -7.218 3.153 1.00 0.00 C ATOM 770 C ILE A 54 -3.643 -7.089 4.675 1.00 0.00 C ATOM 771 O ILE A 54 -4.508 -7.554 5.452 1.00 0.00 O ATOM 772 CB ILE A 54 -4.499 -5.936 2.577 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.536 -4.738 2.607 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.767 -5.611 3.379 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.060 -3.506 1.895 1.00 0.00 C ATOM 0 H ILE A 54 -5.564 -8.193 2.610 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.837 -7.315 2.671 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.773 -6.132 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.323 -4.482 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.591 -5.034 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.238 -4.717 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.462 -6.448 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.503 -5.436 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.323 -2.706 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.245 -3.743 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.989 -3.182 2.364 1.00 0.00 H new ATOM 787 N GLN A 55 -2.552 -6.514 5.117 1.00 0.00 N ATOM 788 CA GLN A 55 -2.347 -6.348 6.530 1.00 0.00 C ATOM 789 C GLN A 55 -1.851 -4.950 6.792 1.00 0.00 C ATOM 790 O GLN A 55 -1.303 -4.305 5.901 1.00 0.00 O ATOM 791 CB GLN A 55 -1.300 -7.321 7.080 1.00 0.00 C ATOM 792 CG GLN A 55 -1.461 -8.766 6.664 1.00 0.00 C ATOM 793 CD GLN A 55 -0.388 -9.639 7.262 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.571 -10.222 8.331 1.00 0.00 O ATOM 795 NE2 GLN A 55 0.760 -9.668 6.638 1.00 0.00 N ATOM 0 H GLN A 55 -1.802 -6.158 4.525 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.300 -6.542 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.314 -6.980 6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.322 -7.271 8.169 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.441 -9.128 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.426 -8.838 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.873 -9.172 5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.543 -10.187 7.035 1.00 0.00 H new ATOM 804 N VAL A 56 -1.995 -4.510 8.023 1.00 0.00 N ATOM 805 CA VAL A 56 -1.499 -3.208 8.456 1.00 0.00 C ATOM 806 C VAL A 56 0.031 -3.249 8.574 1.00 0.00 C ATOM 807 O VAL A 56 0.697 -2.242 8.563 1.00 0.00 O ATOM 808 CB VAL A 56 -2.129 -2.808 9.839 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.648 -3.715 10.971 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.880 -1.348 10.177 1.00 0.00 C ATOM 0 H VAL A 56 -2.460 -5.042 8.759 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.786 -2.462 7.715 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.205 -2.946 9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.108 -3.402 11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.928 -4.746 10.755 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.564 -3.644 11.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.333 -1.115 11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.807 -1.164 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.322 -0.716 9.407 1.00 0.00 H new ATOM 820 N ASN A 57 0.562 -4.437 8.622 1.00 0.00 N ATOM 821 CA ASN A 57 1.973 -4.633 8.875 1.00 0.00 C ATOM 822 C ASN A 57 2.800 -4.661 7.583 1.00 0.00 C ATOM 823 O ASN A 57 4.038 -4.656 7.622 1.00 0.00 O ATOM 824 CB ASN A 57 2.153 -5.925 9.699 1.00 0.00 C ATOM 825 CG ASN A 57 3.590 -6.237 10.089 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.295 -6.977 9.392 1.00 0.00 O ATOM 827 ND2 ASN A 57 4.033 -5.678 11.195 1.00 0.00 N ATOM 0 H ASN A 57 0.036 -5.300 8.488 1.00 0.00 H new ATOM 0 HA ASN A 57 2.350 -3.784 9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.554 -5.847 10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.757 -6.763 9.126 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.990 -5.849 11.505 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.420 -5.074 11.742 1.00 0.00 H new ATOM 834 N ASP A 58 2.142 -4.639 6.451 1.00 0.00 N ATOM 835 CA ASP A 58 2.848 -4.789 5.192 1.00 0.00 C ATOM 836 C ASP A 58 3.202 -3.456 4.537 1.00 0.00 C ATOM 837 O ASP A 58 2.976 -2.382 5.113 1.00 0.00 O ATOM 838 CB ASP A 58 2.116 -5.735 4.238 1.00 0.00 C ATOM 839 CG ASP A 58 2.078 -7.168 4.751 1.00 0.00 C ATOM 840 OD1 ASP A 58 3.107 -7.652 5.302 1.00 0.00 O ATOM 841 OD2 ASP A 58 1.024 -7.839 4.611 1.00 0.00 O ATOM 0 H ASP A 58 1.132 -4.521 6.369 1.00 0.00 H new ATOM 0 HA ASP A 58 3.803 -5.256 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.097 -5.379 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.606 -5.714 3.264 1.00 0.00 H new ATOM 846 N GLN A 59 3.775 -3.529 3.350 1.00 0.00 N ATOM 847 CA GLN A 59 4.281 -2.362 2.647 1.00 0.00 C ATOM 848 C GLN A 59 3.544 -2.120 1.328 1.00 0.00 C ATOM 849 O GLN A 59 3.462 -3.010 0.492 1.00 0.00 O ATOM 850 CB GLN A 59 5.785 -2.542 2.394 1.00 0.00 C ATOM 851 CG GLN A 59 6.391 -1.485 1.499 1.00 0.00 C ATOM 852 CD GLN A 59 7.891 -1.560 1.397 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.444 -2.250 0.539 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.557 -0.822 2.243 1.00 0.00 N ATOM 0 H GLN A 59 3.904 -4.404 2.842 1.00 0.00 H new ATOM 0 HA GLN A 59 4.109 -1.485 3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.307 -2.535 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.953 -3.522 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.963 -1.579 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.111 -0.501 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.058 -0.266 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.576 -0.801 2.210 1.00 0.00 H new ATOM 863 N ILE A 60 3.043 -0.906 1.139 1.00 0.00 N ATOM 864 CA ILE A 60 2.356 -0.538 -0.093 1.00 0.00 C ATOM 865 C ILE A 60 3.399 -0.386 -1.196 1.00 0.00 C ATOM 866 O ILE A 60 4.123 0.592 -1.221 1.00 0.00 O ATOM 867 CB ILE A 60 1.618 0.825 0.017 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.578 0.842 1.152 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.945 1.141 -1.303 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.533 -0.182 1.008 1.00 0.00 C ATOM 0 H ILE A 60 3.100 -0.155 1.827 1.00 0.00 H new ATOM 0 HA ILE A 60 1.624 -1.318 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 60 2.363 1.585 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.090 0.672 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.133 1.836 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.427 2.097 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.697 1.197 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.227 0.357 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.218 -0.097 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.076 -0.002 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.104 -1.184 0.989 1.00 0.00 H new ATOM 882 N VAL A 61 3.470 -1.328 -2.087 1.00 0.00 N ATOM 883 CA VAL A 61 4.493 -1.290 -3.110 1.00 0.00 C ATOM 884 C VAL A 61 4.001 -0.536 -4.352 1.00 0.00 C ATOM 885 O VAL A 61 4.658 0.386 -4.856 1.00 0.00 O ATOM 886 CB VAL A 61 4.959 -2.732 -3.464 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.962 -2.751 -4.591 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.529 -3.421 -2.236 1.00 0.00 C ATOM 0 H VAL A 61 2.841 -2.130 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 61 5.353 -0.745 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 61 4.080 -3.278 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.255 -3.780 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.515 -2.313 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.841 -2.174 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.850 -4.428 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.382 -2.854 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.764 -3.476 -1.461 1.00 0.00 H new ATOM 898 N GLU A 62 2.843 -0.894 -4.810 1.00 0.00 N ATOM 899 CA GLU A 62 2.277 -0.303 -5.985 1.00 0.00 C ATOM 900 C GLU A 62 0.770 -0.356 -5.910 1.00 0.00 C ATOM 901 O GLU A 62 0.163 -1.399 -6.054 1.00 0.00 O ATOM 902 CB GLU A 62 2.797 -1.005 -7.264 1.00 0.00 C ATOM 903 CG GLU A 62 2.143 -0.512 -8.539 1.00 0.00 C ATOM 904 CD GLU A 62 2.686 -1.156 -9.787 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.197 -2.219 -10.182 1.00 0.00 O ATOM 906 OE2 GLU A 62 3.594 -0.578 -10.406 1.00 0.00 O ATOM 0 H GLU A 62 2.258 -1.609 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 62 2.586 0.741 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.874 -0.855 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.630 -2.078 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.071 -0.698 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.276 0.568 -8.611 1.00 0.00 H new ATOM 913 N VAL A 63 0.171 0.749 -5.626 1.00 0.00 N ATOM 914 CA VAL A 63 -1.257 0.811 -5.598 1.00 0.00 C ATOM 915 C VAL A 63 -1.821 1.217 -6.927 1.00 0.00 C ATOM 916 O VAL A 63 -1.395 2.195 -7.527 1.00 0.00 O ATOM 917 CB VAL A 63 -1.811 1.660 -4.430 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.207 2.164 -4.731 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.886 0.784 -3.219 1.00 0.00 C ATOM 0 H VAL A 63 0.645 1.626 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.603 -0.204 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.155 2.517 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.569 2.757 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.185 2.782 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.873 1.316 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.274 1.358 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.548 -0.058 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.890 0.413 -2.976 1.00 0.00 H new ATOM 929 N ASP A 64 -2.672 0.350 -7.421 1.00 0.00 N ATOM 930 CA ASP A 64 -3.472 0.502 -8.635 1.00 0.00 C ATOM 931 C ASP A 64 -2.617 0.550 -9.907 1.00 0.00 C ATOM 932 O ASP A 64 -3.113 0.686 -11.022 1.00 0.00 O ATOM 933 CB ASP A 64 -4.441 1.692 -8.529 1.00 0.00 C ATOM 934 CG ASP A 64 -5.515 1.646 -9.587 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.304 0.676 -9.588 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.570 2.551 -10.448 1.00 0.00 O ATOM 0 H ASP A 64 -2.843 -0.545 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.081 -0.397 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.905 1.694 -7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.882 2.623 -8.621 1.00 0.00 H new ATOM 941 N GLY A 65 -1.340 0.356 -9.735 1.00 0.00 N ATOM 942 CA GLY A 65 -0.428 0.433 -10.833 1.00 0.00 C ATOM 943 C GLY A 65 0.160 1.823 -10.974 1.00 0.00 C ATOM 944 O GLY A 65 0.794 2.133 -11.974 1.00 0.00 O ATOM 0 H GLY A 65 -0.908 0.142 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.375 -0.290 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.943 0.160 -11.754 1.00 0.00 H new ATOM 948 N ILE A 66 -0.033 2.671 -9.956 1.00 0.00 N ATOM 949 CA ILE A 66 0.479 4.037 -9.999 1.00 0.00 C ATOM 950 C ILE A 66 2.007 4.043 -9.821 1.00 0.00 C ATOM 951 O ILE A 66 2.688 4.993 -10.200 1.00 0.00 O ATOM 952 CB ILE A 66 -0.197 4.935 -8.911 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.119 6.399 -9.342 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.489 4.747 -7.551 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.848 7.343 -8.434 1.00 0.00 C ATOM 0 H ILE A 66 -0.536 2.434 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 66 0.235 4.453 -10.976 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.242 4.641 -8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.928 6.696 -9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.526 6.493 -10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.004 5.380 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.411 3.704 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.540 5.023 -7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.744 8.361 -8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.904 7.074 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.427 7.281 -7.431 1.00 0.00 H new ATOM 967 N SER A 67 2.519 2.920 -9.302 1.00 0.00 N ATOM 968 CA SER A 67 3.923 2.720 -8.976 1.00 0.00 C ATOM 969 C SER A 67 4.515 3.852 -8.143 1.00 0.00 C ATOM 970 O SER A 67 5.158 4.768 -8.645 1.00 0.00 O ATOM 971 CB SER A 67 4.768 2.346 -10.209 1.00 0.00 C ATOM 972 OG SER A 67 4.477 3.186 -11.327 1.00 0.00 O ATOM 0 H SER A 67 1.943 2.104 -9.094 1.00 0.00 H new ATOM 0 HA SER A 67 3.962 1.849 -8.322 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.827 2.425 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.580 1.306 -10.477 1.00 0.00 H new ATOM 0 HG SER A 67 4.399 4.115 -11.026 1.00 0.00 H new ATOM 978 N LEU A 68 4.288 3.765 -6.858 1.00 0.00 N ATOM 979 CA LEU A 68 4.724 4.773 -5.921 1.00 0.00 C ATOM 980 C LEU A 68 6.088 4.393 -5.361 1.00 0.00 C ATOM 981 O LEU A 68 6.554 4.923 -4.363 1.00 0.00 O ATOM 982 CB LEU A 68 3.676 4.908 -4.826 1.00 0.00 C ATOM 983 CG LEU A 68 3.400 3.658 -4.012 1.00 0.00 C ATOM 984 CD1 LEU A 68 4.020 3.753 -2.626 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.923 3.405 -3.955 1.00 0.00 C ATOM 0 H LEU A 68 3.791 2.986 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 68 4.831 5.739 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.990 5.699 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.742 5.234 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 68 3.870 2.805 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.804 2.842 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.099 3.875 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.601 4.610 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.730 2.506 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.426 4.256 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.538 3.269 -4.966 1.00 0.00 H new ATOM 997 N VAL A 69 6.696 3.461 -6.017 1.00 0.00 N ATOM 998 CA VAL A 69 8.025 3.012 -5.698 1.00 0.00 C ATOM 999 C VAL A 69 9.017 4.183 -5.757 1.00 0.00 C ATOM 1000 O VAL A 69 9.354 4.663 -6.840 1.00 0.00 O ATOM 1001 CB VAL A 69 8.486 1.895 -6.668 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.870 1.395 -6.301 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.487 0.740 -6.690 1.00 0.00 C ATOM 0 H VAL A 69 6.279 2.974 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 69 8.003 2.608 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 69 8.532 2.323 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.170 0.612 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.581 2.220 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.855 0.994 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.836 -0.029 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.397 0.317 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.514 1.107 -7.018 1.00 0.00 H new ATOM 1013 N GLY A 70 9.384 4.682 -4.593 1.00 0.00 N ATOM 1014 CA GLY A 70 10.370 5.729 -4.490 1.00 0.00 C ATOM 1015 C GLY A 70 9.784 7.025 -3.977 1.00 0.00 C ATOM 1016 O GLY A 70 10.518 7.982 -3.700 1.00 0.00 O ATOM 0 H GLY A 70 9.006 4.372 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.170 5.406 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.819 5.899 -5.469 1.00 0.00 H new ATOM 1020 N VAL A 71 8.476 7.058 -3.803 1.00 0.00 N ATOM 1021 CA VAL A 71 7.802 8.291 -3.397 1.00 0.00 C ATOM 1022 C VAL A 71 7.844 8.484 -1.891 1.00 0.00 C ATOM 1023 O VAL A 71 8.362 7.631 -1.144 1.00 0.00 O ATOM 1024 CB VAL A 71 6.321 8.342 -3.854 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.204 8.070 -5.344 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.446 7.386 -3.029 1.00 0.00 C ATOM 0 H VAL A 71 7.858 6.257 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 71 8.350 9.094 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 71 5.948 9.350 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.156 8.111 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.767 8.822 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.605 7.081 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.414 7.447 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.809 6.365 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.493 7.667 -1.977 1.00 0.00 H new ATOM 1036 N THR A 72 7.297 9.579 -1.456 1.00 0.00 N ATOM 1037 CA THR A 72 7.190 9.884 -0.078 1.00 0.00 C ATOM 1038 C THR A 72 5.803 9.599 0.406 1.00 0.00 C ATOM 1039 O THR A 72 4.875 9.338 -0.395 1.00 0.00 O ATOM 1040 CB THR A 72 7.536 11.347 0.190 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.992 12.145 -0.886 1.00 0.00 O ATOM 1042 CG2 THR A 72 9.041 11.544 0.264 1.00 0.00 C ATOM 0 H THR A 72 6.907 10.295 -2.070 1.00 0.00 H new ATOM 0 HA THR A 72 7.900 9.257 0.461 1.00 0.00 H new ATOM 0 HB THR A 72 7.110 11.651 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.552 12.938 -1.020 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.262 12.594 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.448 10.935 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.494 11.245 -0.681 1.00 0.00 H new ATOM 1050 N GLN A 73 5.659 9.663 1.689 1.00 0.00 N ATOM 1051 CA GLN A 73 4.422 9.426 2.372 1.00 0.00 C ATOM 1052 C GLN A 73 3.297 10.338 1.869 1.00 0.00 C ATOM 1053 O GLN A 73 2.162 9.923 1.769 1.00 0.00 O ATOM 1054 CB GLN A 73 4.636 9.548 3.902 1.00 0.00 C ATOM 1055 CG GLN A 73 4.803 10.936 4.478 1.00 0.00 C ATOM 1056 CD GLN A 73 5.937 11.708 3.828 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.734 12.483 2.899 1.00 0.00 O ATOM 1058 NE2 GLN A 73 7.120 11.396 4.185 1.00 0.00 N ATOM 0 H GLN A 73 6.429 9.891 2.318 1.00 0.00 H new ATOM 0 HA GLN A 73 4.098 8.409 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.787 9.079 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.520 8.967 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.873 11.491 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.988 10.860 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.265 10.749 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.922 11.793 3.695 1.00 0.00 H new ATOM 1067 N ASN A 74 3.641 11.545 1.484 1.00 0.00 N ATOM 1068 CA ASN A 74 2.653 12.507 1.038 1.00 0.00 C ATOM 1069 C ASN A 74 2.131 12.176 -0.363 1.00 0.00 C ATOM 1070 O ASN A 74 1.026 12.595 -0.742 1.00 0.00 O ATOM 1071 CB ASN A 74 3.172 13.955 1.126 1.00 0.00 C ATOM 1072 CG ASN A 74 4.318 14.254 0.189 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.110 14.644 -0.954 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.522 14.093 0.658 1.00 0.00 N ATOM 0 H ASN A 74 4.602 11.888 1.470 1.00 0.00 H new ATOM 0 HA ASN A 74 1.809 12.432 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.351 14.638 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.491 14.154 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.330 14.293 0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.657 13.767 1.615 1.00 0.00 H new ATOM 1081 N PHE A 75 2.907 11.422 -1.129 1.00 0.00 N ATOM 1082 CA PHE A 75 2.448 10.968 -2.426 1.00 0.00 C ATOM 1083 C PHE A 75 1.567 9.770 -2.188 1.00 0.00 C ATOM 1084 O PHE A 75 0.434 9.707 -2.656 1.00 0.00 O ATOM 1085 CB PHE A 75 3.623 10.568 -3.326 1.00 0.00 C ATOM 1086 CG PHE A 75 3.238 10.164 -4.747 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.773 8.878 -5.038 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.360 11.065 -5.787 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.441 8.515 -6.330 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.031 10.701 -7.081 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.572 9.427 -7.351 1.00 0.00 C ATOM 0 H PHE A 75 3.847 11.117 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 75 1.910 11.771 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.322 11.403 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.153 9.738 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.672 8.157 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.716 12.065 -5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.080 7.518 -6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.134 11.417 -7.883 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.316 9.147 -8.362 1.00 0.00 H new ATOM 1101 N ALA A 76 2.097 8.838 -1.406 1.00 0.00 N ATOM 1102 CA ALA A 76 1.407 7.602 -1.084 1.00 0.00 C ATOM 1103 C ALA A 76 0.050 7.855 -0.421 1.00 0.00 C ATOM 1104 O ALA A 76 -0.949 7.304 -0.854 1.00 0.00 O ATOM 1105 CB ALA A 76 2.278 6.717 -0.224 1.00 0.00 C ATOM 0 H ALA A 76 3.019 8.921 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 76 1.208 7.084 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.744 5.795 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.197 6.479 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.522 7.237 0.702 1.00 0.00 H new ATOM 1111 N ALA A 77 0.014 8.731 0.587 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.236 9.072 1.288 1.00 0.00 C ATOM 1113 C ALA A 77 -2.280 9.589 0.306 1.00 0.00 C ATOM 1114 O ALA A 77 -3.472 9.348 0.469 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.983 10.105 2.379 1.00 0.00 C ATOM 0 H ALA A 77 0.836 9.220 0.940 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.617 8.164 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.921 10.340 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.274 9.703 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.573 11.011 1.934 1.00 0.00 H new ATOM 1121 N THR A 78 -1.808 10.272 -0.720 1.00 0.00 N ATOM 1122 CA THR A 78 -2.646 10.772 -1.772 1.00 0.00 C ATOM 1123 C THR A 78 -3.214 9.618 -2.617 1.00 0.00 C ATOM 1124 O THR A 78 -4.418 9.569 -2.849 1.00 0.00 O ATOM 1125 CB THR A 78 -1.868 11.780 -2.649 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.530 12.934 -1.857 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.667 12.200 -3.879 1.00 0.00 C ATOM 0 H THR A 78 -0.819 10.493 -0.840 1.00 0.00 H new ATOM 0 HA THR A 78 -3.489 11.296 -1.322 1.00 0.00 H new ATOM 0 HB THR A 78 -0.960 11.293 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.646 12.807 -1.454 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.084 12.908 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.890 11.322 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.599 12.670 -3.565 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.359 8.676 -3.015 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.782 7.526 -3.830 1.00 0.00 C ATOM 1137 C VAL A 79 -3.854 6.735 -3.100 1.00 0.00 C ATOM 1138 O VAL A 79 -4.933 6.506 -3.630 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.606 6.577 -4.154 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.055 5.446 -5.079 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.468 7.351 -4.766 1.00 0.00 C ATOM 0 H VAL A 79 -1.365 8.683 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.171 7.927 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.259 6.127 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.209 4.792 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.845 4.872 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.432 5.866 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.355 6.672 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.806 7.828 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.128 8.114 -4.065 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.574 6.409 -1.849 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.496 5.644 -1.014 1.00 0.00 C ATOM 1153 C LEU A 80 -5.775 6.456 -0.680 1.00 0.00 C ATOM 1154 O LEU A 80 -6.727 5.926 -0.141 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.807 5.146 0.288 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.765 3.983 0.180 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.337 2.795 -0.532 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.469 4.398 -0.479 1.00 0.00 C ATOM 0 H LEU A 80 -2.704 6.665 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.797 4.770 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.306 5.999 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.589 4.828 0.977 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.532 3.708 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.585 2.008 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.207 2.428 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.636 3.084 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.793 3.544 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.672 4.751 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.007 5.199 0.099 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.767 7.739 -0.985 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.928 8.602 -0.804 1.00 0.00 C ATOM 1172 C ARG A 81 -7.694 8.758 -2.131 1.00 0.00 C ATOM 1173 O ARG A 81 -8.881 9.061 -2.148 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.479 9.961 -0.184 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.517 11.089 -0.121 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.474 11.950 -1.382 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.468 13.027 -1.375 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.224 14.297 -1.748 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.974 14.700 -1.997 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.223 15.173 -1.837 1.00 0.00 N ATOM 0 H ARG A 81 -4.952 8.219 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.628 8.148 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.130 9.769 0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.623 10.323 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.513 10.664 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.329 11.711 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.479 12.382 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.639 11.316 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.412 12.798 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.199 14.044 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.796 15.664 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.177 14.882 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.034 16.135 -2.120 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.001 8.540 -3.229 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.595 8.638 -4.574 1.00 0.00 C ATOM 1196 C ASN A 82 -8.293 7.349 -4.957 1.00 0.00 C ATOM 1197 O ASN A 82 -9.172 7.334 -5.816 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.539 8.966 -5.652 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.107 10.430 -5.730 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -6.054 11.124 -4.627 1.00 0.00 O flip ATOM 1201 ND2 ASN A 82 -5.766 10.915 -6.807 1.00 0.00 N flip ATOM 0 H ASN A 82 -6.012 8.290 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.318 9.452 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.656 8.355 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.934 8.670 -6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.816 10.354 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.433 11.878 -6.850 1.00 0.00 H new ATOM 1208 N THR A 83 -7.889 6.278 -4.337 1.00 0.00 N ATOM 1209 CA THR A 83 -8.422 4.971 -4.605 1.00 0.00 C ATOM 1210 C THR A 83 -9.917 4.830 -4.258 1.00 0.00 C ATOM 1211 O THR A 83 -10.462 5.563 -3.415 1.00 0.00 O ATOM 1212 CB THR A 83 -7.594 3.936 -3.871 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.334 4.425 -2.565 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.281 3.699 -4.583 1.00 0.00 C ATOM 0 H THR A 83 -7.166 6.288 -3.617 1.00 0.00 H new ATOM 0 HA THR A 83 -8.359 4.809 -5.681 1.00 0.00 H new ATOM 0 HB THR A 83 -8.140 2.994 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.113 4.924 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.702 2.953 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.475 3.342 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.719 4.632 -4.629 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.540 3.876 -4.902 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.958 3.607 -4.794 1.00 0.00 C ATOM 1224 C LYS A 84 -12.176 2.177 -4.320 1.00 0.00 C ATOM 1225 O LYS A 84 -11.402 1.673 -3.523 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.694 3.922 -6.155 1.00 0.00 C ATOM 1227 CG LYS A 84 -12.391 3.047 -7.386 1.00 0.00 C ATOM 1228 CD LYS A 84 -10.921 2.938 -7.681 1.00 0.00 C ATOM 1229 CE LYS A 84 -10.611 2.464 -9.103 1.00 0.00 C ATOM 1230 NZ LYS A 84 -11.111 1.106 -9.387 1.00 0.00 N ATOM 0 H LYS A 84 -10.060 3.241 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.400 4.268 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.767 3.869 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.467 4.954 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.799 2.049 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.901 3.463 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.455 3.910 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.467 2.247 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.051 3.162 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.532 2.487 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.102 0.940 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.501 0.406 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.083 1.012 -9.030 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.219 1.570 -4.790 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.588 0.235 -4.407 1.00 0.00 C ATOM 1246 C GLY A 85 -12.617 -0.792 -4.895 1.00 0.00 C ATOM 1247 O GLY A 85 -11.932 -1.407 -4.103 1.00 0.00 O ATOM 0 H GLY A 85 -13.855 1.994 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.656 0.178 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.579 0.009 -4.801 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.549 -0.992 -6.192 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.592 -1.968 -6.735 1.00 0.00 C ATOM 1253 C ASN A 86 -10.212 -1.388 -6.740 1.00 0.00 C ATOM 1254 O ASN A 86 -9.923 -0.458 -7.502 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.939 -2.458 -8.147 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.016 -3.527 -8.221 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -13.967 -3.502 -7.325 1.00 0.00 O flip ATOM 1258 ND2 ASN A 86 -12.981 -4.378 -9.113 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.123 -0.513 -6.886 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.645 -2.836 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.259 -1.602 -8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.033 -2.847 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -12.224 -4.369 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.709 -5.091 -9.167 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.375 -1.895 -5.887 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.030 -1.402 -5.764 1.00 0.00 C ATOM 1267 C VAL A 87 -7.078 -2.535 -5.959 1.00 0.00 C ATOM 1268 O VAL A 87 -7.364 -3.650 -5.564 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.735 -0.853 -4.363 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.551 0.096 -4.375 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.944 -0.252 -3.714 1.00 0.00 C ATOM 0 H VAL A 87 -9.602 -2.663 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.918 -0.611 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.456 -1.704 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.371 0.466 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.666 -0.431 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.765 0.936 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.678 0.121 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.313 0.572 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.721 -1.011 -3.619 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.970 -2.261 -6.566 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.928 -3.226 -6.686 1.00 0.00 C ATOM 1283 C ARG A 88 -3.792 -2.846 -5.814 1.00 0.00 C ATOM 1284 O ARG A 88 -3.005 -1.971 -6.148 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.462 -3.400 -8.106 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.318 -4.317 -8.917 1.00 0.00 C ATOM 1287 CD ARG A 88 -6.677 -3.711 -9.264 1.00 0.00 C ATOM 1288 NE ARG A 88 -6.588 -2.395 -9.940 1.00 0.00 N ATOM 1289 CZ ARG A 88 -7.100 -2.114 -11.142 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -7.505 -3.087 -11.951 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -7.159 -0.859 -11.543 1.00 0.00 N ATOM 0 H ARG A 88 -5.762 -1.359 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.334 -4.186 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.432 -2.424 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.442 -3.783 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.795 -4.574 -9.838 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.470 -5.246 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.220 -4.404 -9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.260 -3.601 -8.350 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.098 -1.646 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.427 -4.061 -11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.894 -2.860 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.816 -0.113 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.548 -0.634 -12.459 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.738 -3.436 -4.681 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.667 -3.181 -3.772 1.00 0.00 C ATOM 1307 C PHE A 89 -1.590 -4.161 -4.065 1.00 0.00 C ATOM 1308 O PHE A 89 -1.679 -5.314 -3.670 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.077 -3.345 -2.307 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.189 -2.465 -1.839 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -5.504 -2.877 -1.934 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -3.920 -1.233 -1.290 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -6.525 -2.067 -1.492 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -4.935 -0.422 -0.845 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.242 -0.836 -0.948 1.00 0.00 C ATOM 0 H PHE A 89 -4.429 -4.109 -4.349 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.347 -2.148 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.368 -4.383 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.204 -3.158 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.733 -3.843 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.896 -0.899 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.550 -2.398 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.706 0.541 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.042 -0.198 -0.604 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.622 -3.754 -4.797 1.00 0.00 N ATOM 1326 CA VAL A 90 0.458 -4.621 -5.085 1.00 0.00 C ATOM 1327 C VAL A 90 1.450 -4.416 -3.989 1.00 0.00 C ATOM 1328 O VAL A 90 2.177 -3.443 -3.965 1.00 0.00 O ATOM 1329 CB VAL A 90 1.102 -4.363 -6.466 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.254 -5.332 -6.725 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.062 -4.471 -7.569 1.00 0.00 C ATOM 0 H VAL A 90 -0.554 -2.823 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 90 0.101 -5.650 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 90 1.505 -3.350 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.688 -5.128 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.016 -5.205 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.881 -6.356 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.534 -4.286 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.372 -5.471 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.723 -3.734 -7.402 1.00 0.00 H new ATOM 1341 N ILE A 91 1.307 -5.206 -3.011 1.00 0.00 N ATOM 1342 CA ILE A 91 2.133 -5.224 -1.871 1.00 0.00 C ATOM 1343 C ILE A 91 3.010 -6.439 -1.950 1.00 0.00 C ATOM 1344 O ILE A 91 2.697 -7.378 -2.646 1.00 0.00 O ATOM 1345 CB ILE A 91 1.206 -5.259 -0.635 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.477 -3.930 -0.544 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.916 -5.620 0.679 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.529 -3.873 0.516 1.00 0.00 C ATOM 0 H ILE A 91 0.565 -5.905 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 91 2.777 -4.347 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 91 0.493 -6.071 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.207 -3.138 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.006 -3.726 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.193 -5.622 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.365 -6.609 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.694 -4.885 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.004 -2.892 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.283 -4.641 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.051 -4.043 1.481 1.00 0.00 H new ATOM 1360 N GLY A 92 4.098 -6.406 -1.298 1.00 0.00 N ATOM 1361 CA GLY A 92 4.940 -7.516 -1.309 1.00 0.00 C ATOM 1362 C GLY A 92 5.396 -7.811 0.053 1.00 0.00 C ATOM 1363 O GLY A 92 5.279 -6.961 0.938 1.00 0.00 O ATOM 0 H GLY A 92 4.426 -5.613 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.414 -8.378 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.797 -7.327 -1.956 1.00 0.00 H new ATOM 1367 N ARG A 93 5.918 -8.971 0.238 1.00 0.00 N ATOM 1368 CA ARG A 93 6.387 -9.372 1.514 1.00 0.00 C ATOM 1369 C ARG A 93 7.534 -10.321 1.272 1.00 0.00 C ATOM 1370 O ARG A 93 7.440 -11.197 0.397 1.00 0.00 O ATOM 1371 CB ARG A 93 5.239 -10.080 2.266 1.00 0.00 C ATOM 1372 CG ARG A 93 5.197 -9.834 3.769 1.00 0.00 C ATOM 1373 CD ARG A 93 6.400 -10.381 4.504 1.00 0.00 C ATOM 1374 NE ARG A 93 6.372 -9.987 5.912 1.00 0.00 N ATOM 1375 CZ ARG A 93 7.418 -10.010 6.744 1.00 0.00 C ATOM 1376 NH1 ARG A 93 8.621 -10.401 6.320 1.00 0.00 N ATOM 1377 NH2 ARG A 93 7.259 -9.610 8.010 1.00 0.00 N ATOM 0 H ARG A 93 6.032 -9.671 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 93 6.717 -8.526 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.291 -9.758 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.320 -11.153 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.126 -8.762 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.294 -10.287 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.416 -11.468 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.314 -10.015 4.037 1.00 0.00 H new ATOM 0 HE ARG A 93 5.480 -9.668 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.752 -10.687 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.410 -10.413 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.346 -9.291 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.051 -9.624 8.653 1.00 0.00 H new ATOM 1391 N GLU A 94 8.624 -10.103 1.931 1.00 0.00 N ATOM 1392 CA GLU A 94 9.719 -10.990 1.851 1.00 0.00 C ATOM 1393 C GLU A 94 9.704 -11.964 3.011 1.00 0.00 C ATOM 1394 O GLU A 94 9.484 -13.166 2.773 1.00 0.00 O ATOM 1395 CB GLU A 94 11.067 -10.261 1.571 1.00 0.00 C ATOM 1396 CG GLU A 94 11.450 -9.026 2.424 1.00 0.00 C ATOM 1397 CD GLU A 94 11.870 -9.303 3.854 1.00 0.00 C ATOM 1398 OE1 GLU A 94 13.002 -9.811 4.078 1.00 0.00 O ATOM 1399 OE2 GLU A 94 11.109 -8.979 4.786 1.00 0.00 O ATOM 0 H GLU A 94 8.773 -9.299 2.541 1.00 0.00 H new ATOM 0 HA GLU A 94 9.609 -11.615 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.866 -10.995 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.060 -9.949 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.265 -8.503 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.599 -8.346 2.443 1.00 0.00 H new