USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 359 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 Single : A 1 ALA N :NH3+ -112:sc= 0.0821 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -130:sc= -0.809 USER MOD Single : A 16 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.36) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.43 F(o=-5.9!,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -1.35! (180deg=-2.84!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 99:sc= 0.146! USER MOD Single : A 53 ASN : amide:sc= 0.627 K(o=0.63,f=-3.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.555 K(o=-0.56,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.272 -14.082 -4.310 1.00 0.00 N ATOM 2 CA ALA A 1 3.430 -13.730 -3.138 1.00 0.00 C ATOM 3 C ALA A 1 2.023 -13.320 -3.575 1.00 0.00 C ATOM 4 O ALA A 1 1.777 -13.078 -4.757 1.00 0.00 O ATOM 5 CB ALA A 1 4.086 -12.611 -2.337 1.00 0.00 C ATOM 0 H1 ALA A 1 4.479 -15.101 -4.295 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.765 -13.844 -5.186 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.163 -13.548 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 1 3.341 -14.612 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.460 -12.361 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.065 -12.939 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.203 -11.731 -2.970 1.00 0.00 H new ATOM 13 N PRO A 2 1.081 -13.238 -2.619 1.00 0.00 N ATOM 14 CA PRO A 2 -0.313 -12.851 -2.897 1.00 0.00 C ATOM 15 C PRO A 2 -0.406 -11.491 -3.580 1.00 0.00 C ATOM 16 O PRO A 2 0.562 -10.740 -3.625 1.00 0.00 O ATOM 17 CB PRO A 2 -0.961 -12.870 -1.496 1.00 0.00 C ATOM 18 CG PRO A 2 0.174 -12.759 -0.540 1.00 0.00 C ATOM 19 CD PRO A 2 1.299 -13.503 -1.185 1.00 0.00 C ATOM 0 HA PRO A 2 -0.816 -13.518 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.661 -12.043 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.523 -13.790 -1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.440 -11.717 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.081 -13.191 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.270 -13.140 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.262 -14.569 -0.960 1.00 0.00 H new ATOM 24 N TRP A 3 -1.570 -11.191 -4.126 1.00 0.00 N ATOM 25 CA TRP A 3 -1.787 -9.942 -4.848 1.00 0.00 C ATOM 26 C TRP A 3 -3.099 -9.293 -4.437 1.00 0.00 C ATOM 27 O TRP A 3 -3.972 -9.932 -3.847 1.00 0.00 O ATOM 28 CB TRP A 3 -1.781 -10.229 -6.345 1.00 0.00 C ATOM 29 CG TRP A 3 -2.978 -10.986 -6.786 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.162 -12.338 -6.836 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.173 -10.397 -7.224 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.431 -12.613 -7.293 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.073 -11.423 -7.543 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.553 -9.082 -7.376 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.355 -11.152 -8.014 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.801 -8.806 -7.834 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.703 -9.831 -8.153 1.00 0.00 C ATOM 0 H TRP A 3 -2.389 -11.798 -4.085 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.985 -9.245 -4.603 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.730 -9.287 -6.891 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.884 -10.794 -6.599 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.425 -13.078 -6.560 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.828 -13.543 -7.424 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.869 -8.282 -7.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.045 -11.946 -8.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.105 -7.777 -7.955 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.689 -9.577 -8.514 1.00 0.00 H new ATOM 47 N ALA A 4 -3.222 -8.004 -4.759 1.00 0.00 N ATOM 48 CA ALA A 4 -4.420 -7.272 -4.401 1.00 0.00 C ATOM 49 C ALA A 4 -4.765 -6.145 -5.363 1.00 0.00 C ATOM 50 O ALA A 4 -3.934 -5.702 -6.156 1.00 0.00 O ATOM 51 CB ALA A 4 -4.287 -6.686 -3.001 1.00 0.00 C ATOM 0 H ALA A 4 -2.517 -7.461 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.229 -8.002 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.195 -6.139 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.136 -7.491 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.435 -6.007 -2.970 1.00 0.00 H new ATOM 57 N THR A 5 -6.000 -5.696 -5.275 1.00 0.00 N ATOM 58 CA THR A 5 -6.479 -4.584 -6.067 1.00 0.00 C ATOM 59 C THR A 5 -6.895 -3.519 -5.108 1.00 0.00 C ATOM 60 O THR A 5 -7.682 -3.778 -4.198 1.00 0.00 O ATOM 61 CB THR A 5 -7.686 -4.922 -6.962 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.493 -6.186 -7.603 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.895 -3.833 -8.013 1.00 0.00 C ATOM 0 H THR A 5 -6.701 -6.094 -4.650 1.00 0.00 H new ATOM 0 HA THR A 5 -5.674 -4.282 -6.737 1.00 0.00 H new ATOM 0 HB THR A 5 -8.574 -4.977 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.268 -6.388 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.752 -4.089 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.078 -2.880 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.004 -3.753 -8.636 1.00 0.00 H new ATOM 71 N ALA A 6 -6.392 -2.325 -5.282 1.00 0.00 N ATOM 72 CA ALA A 6 -6.726 -1.247 -4.387 1.00 0.00 C ATOM 73 C ALA A 6 -8.229 -1.049 -4.294 1.00 0.00 C ATOM 74 O ALA A 6 -9.005 -1.571 -5.092 1.00 0.00 O ATOM 75 CB ALA A 6 -6.031 0.027 -4.829 1.00 0.00 C ATOM 0 H ALA A 6 -5.750 -2.074 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.375 -1.507 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.289 0.837 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.952 -0.125 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.353 0.286 -5.838 1.00 0.00 H new ATOM 81 N GLU A 7 -8.611 -0.305 -3.280 1.00 0.00 N ATOM 82 CA GLU A 7 -10.016 0.011 -3.035 1.00 0.00 C ATOM 83 C GLU A 7 -10.247 1.518 -2.890 1.00 0.00 C ATOM 84 O GLU A 7 -11.377 1.998 -2.987 1.00 0.00 O ATOM 85 CB GLU A 7 -10.503 -0.683 -1.763 1.00 0.00 C ATOM 86 CG GLU A 7 -10.536 -2.198 -1.873 1.00 0.00 C ATOM 87 CD GLU A 7 -11.879 -2.718 -2.344 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.208 -2.523 -3.533 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.603 -3.322 -1.524 1.00 0.00 O ATOM 0 H GLU A 7 -7.967 0.100 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.576 -0.346 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.854 -0.401 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.503 -0.322 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.760 -2.525 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.302 -2.634 -0.902 1.00 0.00 H new ATOM 94 N TYR A 8 -9.162 2.253 -2.656 1.00 0.00 N ATOM 95 CA TYR A 8 -9.195 3.695 -2.467 1.00 0.00 C ATOM 96 C TYR A 8 -7.876 4.297 -2.915 1.00 0.00 C ATOM 97 O TYR A 8 -6.819 3.699 -2.718 1.00 0.00 O ATOM 98 CB TYR A 8 -9.407 3.954 -0.990 1.00 0.00 C ATOM 99 CG TYR A 8 -10.630 3.254 -0.490 1.00 0.00 C ATOM 100 CD1 TYR A 8 -11.864 3.878 -0.520 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.555 1.956 -0.021 1.00 0.00 C ATOM 102 CE1 TYR A 8 -12.995 3.229 -0.090 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.678 1.296 0.414 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.902 1.933 0.379 1.00 0.00 C ATOM 105 OH TYR A 8 -14.031 1.277 0.812 1.00 0.00 O ATOM 0 H TYR A 8 -8.225 1.855 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.996 4.146 -3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.536 3.615 -0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.501 5.026 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.939 4.891 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.599 1.454 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.952 3.729 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.604 0.283 0.782 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.791 0.374 1.108 1.00 0.00 H new ATOM 114 N ASP A 9 -7.929 5.472 -3.515 1.00 0.00 N ATOM 115 CA ASP A 9 -6.751 6.180 -4.006 1.00 0.00 C ATOM 116 C ASP A 9 -5.847 6.564 -2.842 1.00 0.00 C ATOM 117 O ASP A 9 -5.955 7.663 -2.300 1.00 0.00 O ATOM 118 CB ASP A 9 -7.235 7.428 -4.740 1.00 0.00 C ATOM 119 CG ASP A 9 -6.110 8.382 -5.093 1.00 0.00 C ATOM 120 OD1 ASP A 9 -5.536 8.241 -6.193 1.00 0.00 O ATOM 121 OD2 ASP A 9 -5.804 9.268 -4.268 1.00 0.00 O ATOM 0 H ASP A 9 -8.802 5.972 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.175 5.545 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.750 7.129 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.964 7.948 -4.119 1.00 0.00 H new ATOM 125 N TYR A 10 -4.945 5.664 -2.465 1.00 0.00 N ATOM 126 CA TYR A 10 -4.049 5.940 -1.346 1.00 0.00 C ATOM 127 C TYR A 10 -2.863 6.791 -1.781 1.00 0.00 C ATOM 128 O TYR A 10 -2.152 6.448 -2.725 1.00 0.00 O ATOM 129 CB TYR A 10 -3.518 4.656 -0.684 1.00 0.00 C ATOM 130 CG TYR A 10 -2.947 4.884 0.716 1.00 0.00 C ATOM 131 CD1 TYR A 10 -2.978 6.141 1.312 1.00 0.00 C ATOM 132 CD2 TYR A 10 -2.337 3.857 1.424 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.427 6.371 2.546 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.792 4.082 2.679 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.838 5.344 3.230 1.00 0.00 C ATOM 136 OH TYR A 10 -1.273 5.584 4.462 1.00 0.00 O ATOM 0 H TYR A 10 -4.815 4.754 -2.907 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.647 6.485 -0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.326 3.927 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.744 4.223 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.450 6.959 0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.286 2.869 0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.458 7.361 2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.333 3.270 3.223 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.365 5.215 4.483 1.00 0.00 H new ATOM 145 N ASP A 11 -2.664 7.900 -1.089 1.00 0.00 N ATOM 146 CA ASP A 11 -1.534 8.753 -1.375 1.00 0.00 C ATOM 147 C ASP A 11 -0.501 8.649 -0.235 1.00 0.00 C ATOM 148 O ASP A 11 -0.219 9.637 0.442 1.00 0.00 O ATOM 149 CB ASP A 11 -2.043 10.189 -1.505 1.00 0.00 C ATOM 150 CG ASP A 11 -0.925 11.211 -1.573 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.157 11.188 -2.557 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.820 12.037 -0.642 1.00 0.00 O ATOM 0 H ASP A 11 -3.267 8.225 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.050 8.447 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.657 10.271 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.686 10.419 -0.656 1.00 0.00 H new ATOM 156 N ALA A 12 0.053 7.429 -0.043 1.00 0.00 N ATOM 157 CA ALA A 12 1.090 7.129 0.967 1.00 0.00 C ATOM 158 C ALA A 12 1.219 8.185 2.056 1.00 0.00 C ATOM 159 O ALA A 12 1.978 9.145 1.923 1.00 0.00 O ATOM 160 CB ALA A 12 2.410 6.914 0.251 1.00 0.00 C ATOM 0 H ALA A 12 -0.214 6.614 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 12 0.786 6.225 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.188 6.691 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.315 6.080 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.677 7.816 -0.299 1.00 0.00 H new ATOM 166 N ALA A 13 0.472 7.999 3.132 1.00 0.00 N ATOM 167 CA ALA A 13 0.479 8.928 4.254 1.00 0.00 C ATOM 168 C ALA A 13 1.855 9.111 4.962 1.00 0.00 C ATOM 169 O ALA A 13 2.111 10.196 5.483 1.00 0.00 O ATOM 170 CB ALA A 13 -0.556 8.508 5.261 1.00 0.00 C ATOM 0 H ALA A 13 -0.155 7.203 3.254 1.00 0.00 H new ATOM 0 HA ALA A 13 0.248 9.902 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.550 9.203 6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.541 8.511 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.328 7.504 5.620 1.00 0.00 H new ATOM 176 N GLU A 14 2.738 8.106 4.998 1.00 0.00 N ATOM 177 CA GLU A 14 4.021 8.260 5.745 1.00 0.00 C ATOM 178 C GLU A 14 5.343 8.305 4.950 1.00 0.00 C ATOM 179 O GLU A 14 6.401 8.374 5.574 1.00 0.00 O ATOM 180 CB GLU A 14 4.185 7.108 6.739 1.00 0.00 C ATOM 181 CG GLU A 14 3.526 7.377 8.083 1.00 0.00 C ATOM 182 CD GLU A 14 4.288 8.391 8.912 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.236 9.005 8.377 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.938 8.574 10.097 1.00 0.00 O ATOM 0 H GLU A 14 2.609 7.203 4.541 1.00 0.00 H new ATOM 0 HA GLU A 14 3.896 9.250 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.760 6.202 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.247 6.919 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.510 7.736 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.449 6.443 8.639 1.00 0.00 H new ATOM 189 N ASP A 15 5.305 8.243 3.627 1.00 0.00 N ATOM 190 CA ASP A 15 6.523 8.316 2.778 1.00 0.00 C ATOM 191 C ASP A 15 6.889 6.907 2.354 1.00 0.00 C ATOM 192 O ASP A 15 6.789 6.594 1.166 1.00 0.00 O ATOM 193 CB ASP A 15 7.698 9.050 3.439 1.00 0.00 C ATOM 194 CG ASP A 15 8.586 9.748 2.430 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.105 10.692 1.768 1.00 0.00 O ATOM 196 OD2 ASP A 15 9.762 9.351 2.299 1.00 0.00 O ATOM 0 H ASP A 15 4.440 8.141 3.097 1.00 0.00 H new ATOM 0 HA ASP A 15 6.296 8.923 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.312 9.783 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.293 8.337 4.010 1.00 0.00 H new ATOM 200 N ASN A 16 7.313 6.034 3.289 1.00 0.00 N ATOM 201 CA ASN A 16 7.631 4.697 2.798 1.00 0.00 C ATOM 202 C ASN A 16 6.377 3.846 2.869 1.00 0.00 C ATOM 203 O ASN A 16 6.325 2.823 3.549 1.00 0.00 O ATOM 204 CB ASN A 16 8.583 4.142 3.873 1.00 0.00 C ATOM 205 CG ASN A 16 9.649 3.237 3.290 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.570 2.828 2.133 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.656 2.922 4.095 1.00 0.00 N ATOM 0 H ASN A 16 7.432 6.209 4.287 1.00 0.00 H new ATOM 0 HA ASN A 16 8.031 4.702 1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.060 4.971 4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.006 3.589 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.406 2.317 3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.680 3.285 5.048 1.00 0.00 H new ATOM 213 N GLU A 17 5.368 4.269 2.157 1.00 0.00 N ATOM 214 CA GLU A 17 4.205 3.503 1.876 1.00 0.00 C ATOM 215 C GLU A 17 4.158 3.259 0.386 1.00 0.00 C ATOM 216 O GLU A 17 4.973 3.797 -0.363 1.00 0.00 O ATOM 217 CB GLU A 17 2.957 4.218 2.319 1.00 0.00 C ATOM 218 CG GLU A 17 1.853 3.259 2.659 1.00 0.00 C ATOM 219 CD GLU A 17 0.790 3.167 1.586 1.00 0.00 C ATOM 220 OE1 GLU A 17 0.297 4.218 1.146 1.00 0.00 O ATOM 221 OE2 GLU A 17 0.457 2.036 1.177 1.00 0.00 O ATOM 0 H GLU A 17 5.342 5.201 1.743 1.00 0.00 H new ATOM 0 HA GLU A 17 4.251 2.561 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.182 4.836 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.623 4.890 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.279 2.269 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.389 3.567 3.596 1.00 0.00 H new ATOM 226 N LEU A 18 3.224 2.460 -0.047 1.00 0.00 N ATOM 227 CA LEU A 18 2.992 2.259 -1.454 1.00 0.00 C ATOM 228 C LEU A 18 1.888 3.238 -1.799 1.00 0.00 C ATOM 229 O LEU A 18 1.352 3.896 -0.919 1.00 0.00 O ATOM 230 CB LEU A 18 2.587 0.808 -1.700 1.00 0.00 C ATOM 231 CG LEU A 18 2.786 0.225 -3.099 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.868 0.952 -3.884 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.117 -1.249 -2.966 1.00 0.00 C ATOM 0 H LEU A 18 2.602 1.929 0.562 1.00 0.00 H new ATOM 0 HA LEU A 18 3.871 2.433 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.142 0.185 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.531 0.710 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 18 1.862 0.355 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.969 0.498 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.595 2.002 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.816 0.877 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.262 -1.680 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.030 -1.366 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.297 -1.762 -2.464 1.00 0.00 H new ATOM 244 N THR A 19 1.553 3.372 -3.060 1.00 0.00 N ATOM 245 CA THR A 19 0.565 4.356 -3.440 1.00 0.00 C ATOM 246 C THR A 19 -0.237 3.854 -4.599 1.00 0.00 C ATOM 247 O THR A 19 0.318 3.469 -5.628 1.00 0.00 O ATOM 248 CB THR A 19 1.228 5.689 -3.799 1.00 0.00 C ATOM 249 OG1 THR A 19 2.634 5.506 -4.009 1.00 0.00 O ATOM 250 CG2 THR A 19 0.996 6.681 -2.683 1.00 0.00 C ATOM 0 H THR A 19 1.941 2.824 -3.828 1.00 0.00 H new ATOM 0 HA THR A 19 -0.096 4.522 -2.590 1.00 0.00 H new ATOM 0 HB THR A 19 0.788 6.070 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.045 6.365 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.467 7.631 -2.937 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.075 6.832 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.428 6.297 -1.759 1.00 0.00 H new ATOM 258 N PHE A 20 -1.542 3.852 -4.451 1.00 0.00 N ATOM 259 CA PHE A 20 -2.367 3.290 -5.501 1.00 0.00 C ATOM 260 C PHE A 20 -3.776 3.871 -5.564 1.00 0.00 C ATOM 261 O PHE A 20 -4.170 4.738 -4.783 1.00 0.00 O ATOM 262 CB PHE A 20 -2.440 1.770 -5.319 1.00 0.00 C ATOM 263 CG PHE A 20 -2.386 1.362 -3.877 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.490 1.543 -3.064 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.227 0.832 -3.330 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.447 1.201 -1.732 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.178 0.492 -1.994 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.291 0.677 -1.196 1.00 0.00 C ATOM 0 H PHE A 20 -2.044 4.219 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.893 3.553 -6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.363 1.398 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.615 1.303 -5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.397 1.958 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.358 0.685 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.317 1.343 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.272 0.082 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.255 0.410 -0.150 1.00 0.00 H new ATOM 277 N VAL A 21 -4.504 3.345 -6.531 1.00 0.00 N ATOM 278 CA VAL A 21 -5.894 3.682 -6.781 1.00 0.00 C ATOM 279 C VAL A 21 -6.703 2.396 -6.812 1.00 0.00 C ATOM 280 O VAL A 21 -6.181 1.341 -7.156 1.00 0.00 O ATOM 281 CB VAL A 21 -6.061 4.477 -8.096 1.00 0.00 C ATOM 282 CG1 VAL A 21 -5.976 5.971 -7.829 1.00 0.00 C ATOM 283 CG2 VAL A 21 -5.027 4.057 -9.127 1.00 0.00 C ATOM 0 H VAL A 21 -4.135 2.652 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.257 4.327 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.047 4.253 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.096 6.515 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.766 6.262 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.006 6.208 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.170 4.633 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.027 4.240 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.142 2.995 -9.346 1.00 0.00 H new ATOM 293 N GLU A 22 -7.974 2.475 -6.439 1.00 0.00 N ATOM 294 CA GLU A 22 -8.877 1.325 -6.365 1.00 0.00 C ATOM 295 C GLU A 22 -8.726 0.323 -7.515 1.00 0.00 C ATOM 296 O GLU A 22 -9.009 -0.866 -7.384 1.00 0.00 O ATOM 297 CB GLU A 22 -10.324 1.856 -6.297 1.00 0.00 C ATOM 298 CG GLU A 22 -11.372 1.068 -7.081 1.00 0.00 C ATOM 299 CD GLU A 22 -11.675 -0.284 -6.463 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.214 -0.314 -5.336 1.00 0.00 O ATOM 301 OE2 GLU A 22 -11.378 -1.312 -7.106 1.00 0.00 O ATOM 0 H GLU A 22 -8.418 3.354 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.614 0.762 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.629 1.884 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.328 2.884 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.291 1.651 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.022 0.925 -8.103 1.00 0.00 H new ATOM 306 N ASN A 23 -8.290 0.836 -8.611 1.00 0.00 N ATOM 307 CA ASN A 23 -8.164 0.007 -9.808 1.00 0.00 C ATOM 308 C ASN A 23 -6.713 -0.346 -10.136 1.00 0.00 C ATOM 309 O ASN A 23 -6.453 -1.044 -11.116 1.00 0.00 O ATOM 310 CB ASN A 23 -8.840 0.699 -10.990 1.00 0.00 C ATOM 311 CG ASN A 23 -8.652 2.204 -10.979 1.00 0.00 C ATOM 312 OD1 ASN A 23 -7.525 2.700 -10.947 1.00 0.00 O ATOM 313 ND2 ASN A 23 -9.756 2.940 -11.002 1.00 0.00 N ATOM 0 H ASN A 23 -8.012 1.810 -8.727 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.667 -0.938 -9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.439 0.295 -11.919 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.906 0.471 -10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.691 3.958 -10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.670 2.488 -11.028 1.00 0.00 H new ATOM 319 N ASP A 24 -5.767 0.126 -9.331 1.00 0.00 N ATOM 320 CA ASP A 24 -4.363 -0.216 -9.560 1.00 0.00 C ATOM 321 C ASP A 24 -4.066 -1.580 -8.968 1.00 0.00 C ATOM 322 O ASP A 24 -4.439 -1.876 -7.833 1.00 0.00 O ATOM 323 CB ASP A 24 -3.417 0.806 -8.955 1.00 0.00 C ATOM 324 CG ASP A 24 -3.149 1.974 -9.882 1.00 0.00 C ATOM 325 OD1 ASP A 24 -3.746 2.009 -10.979 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.343 2.853 -9.513 1.00 0.00 O ATOM 0 H ASP A 24 -5.938 0.734 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.203 -0.224 -10.638 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.839 1.178 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.473 0.320 -8.707 1.00 0.00 H new ATOM 330 N LYS A 25 -3.394 -2.402 -9.745 1.00 0.00 N ATOM 331 CA LYS A 25 -3.063 -3.737 -9.323 1.00 0.00 C ATOM 332 C LYS A 25 -1.873 -3.769 -8.364 1.00 0.00 C ATOM 333 O LYS A 25 -0.935 -2.983 -8.496 1.00 0.00 O ATOM 334 CB LYS A 25 -2.759 -4.563 -10.552 1.00 0.00 C ATOM 335 CG LYS A 25 -2.530 -5.995 -10.201 1.00 0.00 C ATOM 336 CD LYS A 25 -3.846 -6.718 -9.989 1.00 0.00 C ATOM 337 CE LYS A 25 -3.778 -8.127 -10.528 1.00 0.00 C ATOM 338 NZ LYS A 25 -4.686 -8.325 -11.691 1.00 0.00 N ATOM 0 H LYS A 25 -3.066 -2.162 -10.680 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.914 -4.146 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.587 -4.487 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.877 -4.163 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.967 -6.483 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.925 -6.060 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.086 -6.742 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.649 -6.173 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.754 -8.352 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.042 -8.830 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.608 -9.305 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.667 -8.136 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.418 -7.673 -12.455 1.00 0.00 H new ATOM 348 N ILE A 26 -1.920 -4.692 -7.394 1.00 0.00 N ATOM 349 CA ILE A 26 -0.835 -4.863 -6.430 1.00 0.00 C ATOM 350 C ILE A 26 -0.459 -6.347 -6.352 1.00 0.00 C ATOM 351 O ILE A 26 -1.332 -7.211 -6.412 1.00 0.00 O ATOM 352 CB ILE A 26 -1.252 -4.377 -5.027 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.671 -2.907 -5.069 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.112 -4.570 -4.041 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.643 -2.519 -3.973 1.00 0.00 C ATOM 0 H ILE A 26 -2.703 -5.332 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 26 0.016 -4.269 -6.764 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.105 -4.970 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.781 -2.282 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.125 -2.695 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.421 -4.223 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.148 -5.627 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.756 -3.999 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.894 -1.463 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.550 -3.117 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.185 -2.698 -3.000 1.00 0.00 H new ATOM 366 N ILE A 27 0.827 -6.641 -6.213 1.00 0.00 N ATOM 367 CA ILE A 27 1.279 -8.032 -6.160 1.00 0.00 C ATOM 368 C ILE A 27 2.444 -8.216 -5.199 1.00 0.00 C ATOM 369 O ILE A 27 2.982 -7.253 -4.658 1.00 0.00 O ATOM 370 CB ILE A 27 1.625 -8.529 -7.581 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.710 -7.670 -8.221 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.382 -8.559 -8.455 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.492 -8.395 -9.289 1.00 0.00 C ATOM 0 H ILE A 27 1.571 -5.947 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 27 0.463 -8.641 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 27 2.012 -9.544 -7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.251 -6.782 -8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.397 -7.328 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.647 -8.912 -9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.355 -9.231 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.038 -7.556 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.247 -7.727 -9.703 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.979 -9.268 -8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.816 -8.714 -10.082 1.00 0.00 H new ATOM 384 N ASN A 28 2.818 -9.473 -4.994 1.00 0.00 N ATOM 385 CA ASN A 28 3.881 -9.824 -4.075 1.00 0.00 C ATOM 386 C ASN A 28 3.554 -9.290 -2.692 1.00 0.00 C ATOM 387 O ASN A 28 4.390 -8.685 -2.021 1.00 0.00 O ATOM 388 CB ASN A 28 5.236 -9.294 -4.538 1.00 0.00 C ATOM 389 CG ASN A 28 5.667 -9.868 -5.871 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.922 -9.544 -6.916 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.658 -10.593 -5.958 1.00 0.00 N flip ATOM 0 H ASN A 28 2.391 -10.273 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 28 3.952 -10.911 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.189 -8.208 -4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.989 -9.529 -3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.202 -10.815 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.935 -10.971 -6.864 1.00 0.00 H new ATOM 397 N ILE A 29 2.311 -9.529 -2.279 1.00 0.00 N ATOM 398 CA ILE A 29 1.806 -9.011 -1.021 1.00 0.00 C ATOM 399 C ILE A 29 2.388 -9.714 0.189 1.00 0.00 C ATOM 400 O ILE A 29 1.658 -10.384 0.920 1.00 0.00 O ATOM 401 CB ILE A 29 0.276 -9.043 -0.992 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.227 -8.137 -2.109 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.250 -8.599 0.375 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.695 -7.854 -2.048 1.00 0.00 C ATOM 0 H ILE A 29 1.635 -10.083 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 29 2.136 -7.974 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.089 -10.058 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.317 -7.193 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.004 -8.598 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.340 -8.629 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.130 -9.269 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.084 -7.582 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.975 -7.203 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.249 -8.790 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.932 -7.363 -1.104 1.00 0.00 H new ATOM 415 N GLU A 30 3.680 -9.596 0.418 1.00 0.00 N ATOM 416 CA GLU A 30 4.231 -10.220 1.605 1.00 0.00 C ATOM 417 C GLU A 30 3.599 -9.646 2.851 1.00 0.00 C ATOM 418 O GLU A 30 2.967 -8.601 2.790 1.00 0.00 O ATOM 419 CB GLU A 30 5.760 -10.153 1.626 1.00 0.00 C ATOM 420 CG GLU A 30 6.393 -10.468 0.280 1.00 0.00 C ATOM 421 CD GLU A 30 7.590 -11.392 0.400 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.533 -11.051 1.145 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.585 -12.457 -0.253 1.00 0.00 O ATOM 0 H GLU A 30 4.345 -9.097 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 30 3.982 -11.281 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.069 -9.156 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.138 -10.854 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.648 -10.928 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.703 -9.539 -0.198 1.00 0.00 H new ATOM 428 N PHE A 31 3.805 -10.293 3.986 1.00 0.00 N ATOM 429 CA PHE A 31 3.179 -9.802 5.207 1.00 0.00 C ATOM 430 C PHE A 31 4.179 -9.199 6.181 1.00 0.00 C ATOM 431 O PHE A 31 4.484 -9.765 7.231 1.00 0.00 O ATOM 432 CB PHE A 31 2.356 -10.923 5.850 1.00 0.00 C ATOM 433 CG PHE A 31 1.254 -11.424 4.945 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.189 -10.601 4.593 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.291 -12.710 4.429 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.814 -11.048 3.753 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.291 -13.163 3.584 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.762 -12.331 3.246 1.00 0.00 C ATOM 0 H PHE A 31 4.379 -11.130 4.091 1.00 0.00 H new ATOM 0 HA PHE A 31 2.510 -8.985 4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.016 -11.752 6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.921 -10.561 6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.145 -9.595 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.109 -13.366 4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.635 -10.396 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.333 -14.167 3.188 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.541 -12.685 2.587 1.00 0.00 H new ATOM 447 N VAL A 32 4.677 -8.030 5.801 1.00 0.00 N ATOM 448 CA VAL A 32 5.620 -7.267 6.607 1.00 0.00 C ATOM 449 C VAL A 32 4.974 -6.888 7.945 1.00 0.00 C ATOM 450 O VAL A 32 5.636 -6.944 8.981 1.00 0.00 O ATOM 451 CB VAL A 32 6.050 -5.982 5.834 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.058 -6.332 4.753 1.00 0.00 C ATOM 453 CG2 VAL A 32 4.834 -5.288 5.235 1.00 0.00 C ATOM 0 H VAL A 32 4.436 -7.581 4.917 1.00 0.00 H new ATOM 0 HA VAL A 32 6.503 -7.876 6.803 1.00 0.00 H new ATOM 0 HB VAL A 32 6.522 -5.294 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.350 -5.427 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.938 -6.785 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.610 -7.036 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.153 -4.394 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.332 -5.965 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.146 -5.008 6.032 1.00 0.00 H new ATOM 463 N ASP A 33 3.701 -6.514 7.944 1.00 0.00 N ATOM 464 CA ASP A 33 2.999 -6.206 9.188 1.00 0.00 C ATOM 465 C ASP A 33 1.577 -6.780 9.136 1.00 0.00 C ATOM 466 O ASP A 33 0.969 -6.821 8.073 1.00 0.00 O ATOM 467 CB ASP A 33 3.003 -4.696 9.444 1.00 0.00 C ATOM 468 CG ASP A 33 1.962 -4.273 10.459 1.00 0.00 C ATOM 469 OD1 ASP A 33 1.862 -4.923 11.519 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.247 -3.290 10.184 1.00 0.00 O ATOM 0 H ASP A 33 3.134 -6.416 7.102 1.00 0.00 H new ATOM 0 HA ASP A 33 3.517 -6.674 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.990 -4.394 9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.823 -4.172 8.505 1.00 0.00 H new ATOM 474 N ASP A 34 1.037 -7.208 10.285 1.00 0.00 N ATOM 475 CA ASP A 34 -0.331 -7.749 10.333 1.00 0.00 C ATOM 476 C ASP A 34 -1.271 -6.830 9.559 1.00 0.00 C ATOM 477 O ASP A 34 -2.067 -7.263 8.726 1.00 0.00 O ATOM 478 CB ASP A 34 -0.806 -7.873 11.782 1.00 0.00 C ATOM 479 CG ASP A 34 -2.221 -8.405 11.880 1.00 0.00 C ATOM 480 OD1 ASP A 34 -2.796 -8.761 10.829 1.00 0.00 O ATOM 481 OD2 ASP A 34 -2.756 -8.467 13.007 1.00 0.00 O ATOM 0 H ASP A 34 1.518 -7.192 11.184 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.334 -8.740 9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.133 -8.535 12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.753 -6.897 12.264 1.00 0.00 H new ATOM 485 N ASP A 35 -1.145 -5.551 9.872 1.00 0.00 N ATOM 486 CA ASP A 35 -2.008 -4.515 9.308 1.00 0.00 C ATOM 487 C ASP A 35 -1.495 -3.936 8.004 1.00 0.00 C ATOM 488 O ASP A 35 -2.281 -3.629 7.108 1.00 0.00 O ATOM 489 CB ASP A 35 -2.218 -3.360 10.308 1.00 0.00 C ATOM 490 CG ASP A 35 -1.119 -3.222 11.345 1.00 0.00 C ATOM 491 OD1 ASP A 35 -0.875 -4.199 12.085 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.503 -2.138 11.418 1.00 0.00 O ATOM 0 H ASP A 35 -0.444 -5.197 10.523 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.953 -5.018 9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.297 -2.425 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.168 -3.508 10.821 1.00 0.00 H new ATOM 496 N TRP A 36 -0.183 -3.782 7.884 1.00 0.00 N ATOM 497 CA TRP A 36 0.381 -3.329 6.620 1.00 0.00 C ATOM 498 C TRP A 36 1.224 -4.429 5.997 1.00 0.00 C ATOM 499 O TRP A 36 2.212 -4.855 6.587 1.00 0.00 O ATOM 500 CB TRP A 36 1.235 -2.085 6.814 1.00 0.00 C ATOM 501 CG TRP A 36 0.430 -0.921 7.248 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.191 -0.790 8.438 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.122 0.248 6.495 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.866 0.397 8.494 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.696 1.054 7.309 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.458 0.693 5.218 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -1.189 2.278 6.884 1.00 0.00 C ATOM 508 CZ3 TRP A 36 -0.044 1.917 4.795 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.859 2.689 5.629 1.00 0.00 C ATOM 0 H TRP A 36 0.495 -3.959 8.625 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.447 -3.082 5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.008 -2.288 7.556 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.744 -1.846 5.880 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.159 -1.520 9.234 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.407 0.736 9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.092 0.102 4.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.812 2.883 7.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.199 2.278 3.807 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.236 3.635 5.268 1.00 0.00 H new ATOM 519 N TRP A 37 0.862 -4.908 4.812 1.00 0.00 N ATOM 520 CA TRP A 37 1.604 -5.937 4.110 1.00 0.00 C ATOM 521 C TRP A 37 2.459 -5.245 3.078 1.00 0.00 C ATOM 522 O TRP A 37 2.281 -4.054 2.827 1.00 0.00 O ATOM 523 CB TRP A 37 0.627 -6.935 3.479 1.00 0.00 C ATOM 524 CG TRP A 37 -0.599 -7.186 4.289 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.651 -7.483 5.614 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.948 -7.172 3.824 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.948 -7.680 6.003 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.765 -7.487 4.922 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.546 -6.927 2.586 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.144 -7.568 4.820 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.919 -7.001 2.485 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.708 -7.322 3.597 1.00 0.00 C ATOM 0 H TRP A 37 0.035 -4.586 4.310 1.00 0.00 H new ATOM 0 HA TRP A 37 2.245 -6.506 4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.331 -6.565 2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.144 -7.881 3.320 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.207 -7.553 6.266 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.255 -7.929 6.943 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.944 -6.684 1.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.754 -7.817 5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.393 -6.809 1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.781 -7.376 3.488 1.00 0.00 H new ATOM 542 N LEU A 38 3.388 -5.960 2.471 1.00 0.00 N ATOM 543 CA LEU A 38 4.254 -5.354 1.493 1.00 0.00 C ATOM 544 C LEU A 38 3.850 -5.756 0.106 1.00 0.00 C ATOM 545 O LEU A 38 3.340 -6.835 -0.103 1.00 0.00 O ATOM 546 CB LEU A 38 5.717 -5.736 1.788 1.00 0.00 C ATOM 547 CG LEU A 38 6.382 -6.696 0.784 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.693 -5.956 -0.506 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.643 -7.308 1.376 1.00 0.00 C ATOM 0 H LEU A 38 3.557 -6.952 2.640 1.00 0.00 H new ATOM 0 HA LEU A 38 4.163 -4.270 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.308 -4.821 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.760 -6.191 2.778 1.00 0.00 H new ATOM 0 HG LEU A 38 5.691 -7.510 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.163 -6.639 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.769 -5.569 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.370 -5.128 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.096 -7.983 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.349 -6.516 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.388 -7.864 2.278 1.00 0.00 H new ATOM 560 N GLY A 39 4.142 -4.884 -0.835 1.00 0.00 N ATOM 561 CA GLY A 39 3.734 -5.196 -2.178 1.00 0.00 C ATOM 562 C GLY A 39 4.767 -5.045 -3.261 1.00 0.00 C ATOM 563 O GLY A 39 5.971 -4.922 -3.036 1.00 0.00 O ATOM 0 H GLY A 39 4.634 -4.000 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.377 -6.226 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.885 -4.561 -2.430 1.00 0.00 H new ATOM 567 N GLU A 40 4.206 -5.063 -4.454 1.00 0.00 N ATOM 568 CA GLU A 40 4.892 -4.889 -5.709 1.00 0.00 C ATOM 569 C GLU A 40 3.779 -4.587 -6.702 1.00 0.00 C ATOM 570 O GLU A 40 2.888 -5.408 -6.861 1.00 0.00 O ATOM 571 CB GLU A 40 5.683 -6.133 -6.100 1.00 0.00 C ATOM 572 CG GLU A 40 6.907 -5.809 -6.931 1.00 0.00 C ATOM 573 CD GLU A 40 8.056 -6.765 -6.679 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.016 -7.487 -5.661 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.997 -6.792 -7.501 1.00 0.00 O ATOM 0 H GLU A 40 3.204 -5.208 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 40 5.635 -4.093 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.991 -6.662 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.037 -6.809 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.641 -5.837 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.231 -4.792 -6.711 1.00 0.00 H new ATOM 580 N LEU A 41 3.768 -3.437 -7.338 1.00 0.00 N ATOM 581 CA LEU A 41 2.661 -3.173 -8.246 1.00 0.00 C ATOM 582 C LEU A 41 2.836 -3.896 -9.558 1.00 0.00 C ATOM 583 O LEU A 41 3.818 -3.727 -10.253 1.00 0.00 O ATOM 584 CB LEU A 41 2.396 -1.681 -8.448 1.00 0.00 C ATOM 585 CG LEU A 41 2.143 -0.883 -7.167 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.999 0.598 -7.480 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.903 -1.400 -6.455 1.00 0.00 C ATOM 0 H LEU A 41 4.469 -2.701 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 41 1.768 -3.573 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.250 -1.244 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.533 -1.568 -9.104 1.00 0.00 H new ATOM 0 HG LEU A 41 3.000 -1.012 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.820 1.149 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.914 0.962 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.160 0.746 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.738 -0.822 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.038 -1.300 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.043 -2.450 -6.197 1.00 0.00 H new ATOM 598 N GLU A 42 1.891 -4.761 -9.867 1.00 0.00 N ATOM 599 CA GLU A 42 1.937 -5.501 -11.108 1.00 0.00 C ATOM 600 C GLU A 42 2.038 -4.531 -12.280 1.00 0.00 C ATOM 601 O GLU A 42 2.729 -4.793 -13.265 1.00 0.00 O ATOM 602 CB GLU A 42 0.684 -6.384 -11.227 1.00 0.00 C ATOM 603 CG GLU A 42 0.291 -6.738 -12.653 1.00 0.00 C ATOM 604 CD GLU A 42 1.317 -7.618 -13.339 1.00 0.00 C ATOM 605 OE1 GLU A 42 2.286 -8.034 -12.668 1.00 0.00 O ATOM 606 OE2 GLU A 42 1.154 -7.892 -14.547 1.00 0.00 O ATOM 0 H GLU A 42 1.085 -4.967 -9.277 1.00 0.00 H new ATOM 0 HA GLU A 42 2.815 -6.147 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.852 -7.306 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.152 -5.872 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.672 -7.248 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.161 -5.821 -13.228 1.00 0.00 H new ATOM 611 N LYS A 43 1.340 -3.409 -12.155 1.00 0.00 N ATOM 612 CA LYS A 43 1.316 -2.430 -13.225 1.00 0.00 C ATOM 613 C LYS A 43 2.665 -1.710 -13.431 1.00 0.00 C ATOM 614 O LYS A 43 3.097 -1.542 -14.571 1.00 0.00 O ATOM 615 CB LYS A 43 0.163 -1.430 -13.026 1.00 0.00 C ATOM 616 CG LYS A 43 0.539 -0.167 -12.258 1.00 0.00 C ATOM 617 CD LYS A 43 -0.595 0.309 -11.362 1.00 0.00 C ATOM 618 CE LYS A 43 -0.073 0.746 -10.005 1.00 0.00 C ATOM 619 NZ LYS A 43 1.022 1.747 -10.127 1.00 0.00 N ATOM 0 H LYS A 43 0.791 -3.160 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 43 1.138 -2.984 -14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.223 -1.143 -14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.648 -1.932 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.424 -0.360 -11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.801 0.622 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.116 1.139 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.323 -0.492 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.890 1.171 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.290 -0.124 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.032 2.355 -9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.934 1.255 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.865 2.331 -10.973 1.00 0.00 H new ATOM 629 N ASP A 44 3.338 -1.286 -12.355 1.00 0.00 N ATOM 630 CA ASP A 44 4.606 -0.541 -12.508 1.00 0.00 C ATOM 631 C ASP A 44 5.774 -1.135 -11.708 1.00 0.00 C ATOM 632 O ASP A 44 6.906 -0.661 -11.806 1.00 0.00 O ATOM 633 CB ASP A 44 4.395 0.917 -12.098 1.00 0.00 C ATOM 634 CG ASP A 44 5.080 1.887 -13.041 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.818 1.423 -13.936 1.00 0.00 O ATOM 636 OD2 ASP A 44 4.877 3.109 -12.886 1.00 0.00 O ATOM 0 H ASP A 44 3.041 -1.437 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 44 4.883 -0.615 -13.560 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.327 1.133 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.776 1.066 -11.088 1.00 0.00 H new ATOM 640 N GLY A 45 5.496 -2.159 -10.928 1.00 0.00 N ATOM 641 CA GLY A 45 6.545 -2.794 -10.138 1.00 0.00 C ATOM 642 C GLY A 45 6.963 -2.014 -8.902 1.00 0.00 C ATOM 643 O GLY A 45 8.120 -2.094 -8.486 1.00 0.00 O ATOM 0 H GLY A 45 4.568 -2.569 -10.820 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.203 -3.782 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.420 -2.943 -10.771 1.00 0.00 H new ATOM 647 N SER A 46 6.046 -1.262 -8.310 1.00 0.00 N ATOM 648 CA SER A 46 6.384 -0.494 -7.115 1.00 0.00 C ATOM 649 C SER A 46 6.176 -1.344 -5.864 1.00 0.00 C ATOM 650 O SER A 46 5.158 -2.018 -5.740 1.00 0.00 O ATOM 651 CB SER A 46 5.531 0.773 -7.047 1.00 0.00 C ATOM 652 OG SER A 46 5.567 1.477 -8.276 1.00 0.00 O ATOM 0 H SER A 46 5.081 -1.166 -8.627 1.00 0.00 H new ATOM 0 HA SER A 46 7.434 -0.206 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.501 0.510 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.893 1.416 -6.245 1.00 0.00 H new ATOM 0 HG SER A 46 5.013 2.282 -8.208 1.00 0.00 H new ATOM 657 N LYS A 47 7.112 -1.254 -4.908 1.00 0.00 N ATOM 658 CA LYS A 47 7.025 -2.041 -3.672 1.00 0.00 C ATOM 659 C LYS A 47 6.982 -1.150 -2.439 1.00 0.00 C ATOM 660 O LYS A 47 7.559 -0.064 -2.428 1.00 0.00 O ATOM 661 CB LYS A 47 8.200 -3.009 -3.516 1.00 0.00 C ATOM 662 CG LYS A 47 8.601 -3.691 -4.812 1.00 0.00 C ATOM 663 CD LYS A 47 10.086 -4.017 -4.831 1.00 0.00 C ATOM 664 CE LYS A 47 10.722 -3.636 -6.158 1.00 0.00 C ATOM 665 NZ LYS A 47 12.191 -3.437 -6.029 1.00 0.00 N ATOM 0 H LYS A 47 7.931 -0.649 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 47 6.098 -2.609 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.058 -2.465 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.938 -3.770 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.024 -4.607 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.358 -3.045 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.587 -3.487 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.228 -5.083 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.524 -4.416 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.263 -2.721 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.589 -3.178 -6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.380 -2.676 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.633 -4.318 -5.696 1.00 0.00 H new ATOM 675 N GLY A 48 6.296 -1.614 -1.397 1.00 0.00 N ATOM 676 CA GLY A 48 6.216 -0.885 -0.146 1.00 0.00 C ATOM 677 C GLY A 48 5.110 -1.409 0.747 1.00 0.00 C ATOM 678 O GLY A 48 4.226 -2.125 0.277 1.00 0.00 O ATOM 0 H GLY A 48 5.787 -2.498 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.169 -0.958 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.045 0.172 -0.352 1.00 0.00 H new ATOM 682 N LEU A 49 5.145 -1.072 2.035 1.00 0.00 N ATOM 683 CA LEU A 49 4.096 -1.525 2.921 1.00 0.00 C ATOM 684 C LEU A 49 2.837 -0.779 2.572 1.00 0.00 C ATOM 685 O LEU A 49 2.892 0.336 2.056 1.00 0.00 O ATOM 686 CB LEU A 49 4.421 -1.312 4.399 1.00 0.00 C ATOM 687 CG LEU A 49 4.626 0.125 4.850 1.00 0.00 C ATOM 688 CD1 LEU A 49 4.017 0.329 6.223 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.093 0.511 4.859 1.00 0.00 C ATOM 0 H LEU A 49 5.870 -0.503 2.471 1.00 0.00 H new ATOM 0 HA LEU A 49 3.981 -2.600 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.614 -1.743 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.324 -1.875 4.634 1.00 0.00 H new ATOM 0 HG LEU A 49 4.124 0.774 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.168 1.361 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.949 0.115 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.495 -0.342 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.195 1.545 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.637 -0.142 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.503 0.407 3.854 1.00 0.00 H new ATOM 700 N PHE A 50 1.704 -1.390 2.831 1.00 0.00 N ATOM 701 CA PHE A 50 0.441 -0.791 2.478 1.00 0.00 C ATOM 702 C PHE A 50 -0.685 -1.239 3.380 1.00 0.00 C ATOM 703 O PHE A 50 -0.629 -2.298 3.997 1.00 0.00 O ATOM 704 CB PHE A 50 0.108 -1.101 1.018 1.00 0.00 C ATOM 705 CG PHE A 50 -0.173 -2.552 0.752 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.855 -3.422 0.423 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.466 -3.044 0.824 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.596 -4.757 0.170 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.729 -4.376 0.574 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.696 -5.233 0.245 1.00 0.00 C ATOM 0 H PHE A 50 1.633 -2.301 3.285 1.00 0.00 H new ATOM 0 HA PHE A 50 0.544 0.286 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.760 -0.513 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.940 -0.781 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.868 -3.054 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.277 -2.378 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.405 -5.426 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.741 -4.748 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.900 -6.275 0.047 1.00 0.00 H new ATOM 719 N PRO A 51 -1.744 -0.426 3.429 1.00 0.00 N ATOM 720 CA PRO A 51 -2.910 -0.676 4.245 1.00 0.00 C ATOM 721 C PRO A 51 -3.614 -1.974 3.935 1.00 0.00 C ATOM 722 O PRO A 51 -3.215 -2.776 3.090 1.00 0.00 O ATOM 723 CB PRO A 51 -3.870 0.477 3.931 1.00 0.00 C ATOM 724 CG PRO A 51 -3.026 1.530 3.328 1.00 0.00 C ATOM 725 CD PRO A 51 -1.913 0.808 2.633 1.00 0.00 C ATOM 0 HA PRO A 51 -2.604 -0.746 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.655 0.160 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.363 0.836 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.598 2.136 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.639 2.206 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.167 0.584 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.999 1.402 2.617 1.00 0.00 H new ATOM 730 N SER A 52 -4.679 -2.115 4.683 1.00 0.00 N ATOM 731 CA SER A 52 -5.491 -3.290 4.397 1.00 0.00 C ATOM 732 C SER A 52 -6.947 -2.977 4.202 1.00 0.00 C ATOM 733 O SER A 52 -7.705 -3.786 3.665 1.00 0.00 O ATOM 734 CB SER A 52 -5.237 -4.390 5.425 1.00 0.00 C ATOM 735 OG SER A 52 -5.998 -5.550 5.133 1.00 0.00 O ATOM 0 H SER A 52 -4.993 -1.498 5.432 1.00 0.00 H new ATOM 0 HA SER A 52 -5.170 -3.675 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.176 -4.641 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.491 -4.026 6.421 1.00 0.00 H new ATOM 0 HG SER A 52 -5.435 -6.201 4.665 1.00 0.00 H new ATOM 740 N ASN A 53 -7.341 -1.795 4.642 1.00 0.00 N ATOM 741 CA ASN A 53 -8.682 -1.321 4.469 1.00 0.00 C ATOM 742 C ASN A 53 -8.777 -0.433 3.219 1.00 0.00 C ATOM 743 O ASN A 53 -9.860 -0.235 2.670 1.00 0.00 O ATOM 744 CB ASN A 53 -9.130 -0.569 5.722 1.00 0.00 C ATOM 745 CG ASN A 53 -8.213 0.598 6.049 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.006 0.421 6.217 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.775 1.800 6.145 1.00 0.00 N ATOM 0 H ASN A 53 -6.728 -1.142 5.130 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.350 -2.170 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.146 -0.202 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.155 -1.257 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.202 2.615 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.779 1.907 5.999 1.00 0.00 H new ATOM 753 N TYR A 54 -7.611 0.105 2.770 1.00 0.00 N ATOM 754 CA TYR A 54 -7.539 0.947 1.574 1.00 0.00 C ATOM 755 C TYR A 54 -7.491 0.066 0.299 1.00 0.00 C ATOM 756 O TYR A 54 -7.642 0.568 -0.814 1.00 0.00 O ATOM 757 CB TYR A 54 -6.300 1.876 1.597 1.00 0.00 C ATOM 758 CG TYR A 54 -6.570 3.348 1.786 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.929 3.838 3.029 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.390 4.256 0.748 1.00 0.00 C ATOM 761 CE1 TYR A 54 -7.121 5.186 3.234 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.569 5.608 0.947 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.936 6.071 2.189 1.00 0.00 C ATOM 764 OH TYR A 54 -7.109 7.420 2.388 1.00 0.00 O ATOM 0 H TYR A 54 -6.712 -0.038 3.230 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.434 1.569 1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.639 1.544 2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.757 1.745 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.061 3.152 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.105 3.896 -0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.415 5.550 4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.422 6.301 0.132 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.938 7.899 1.550 1.00 0.00 H new ATOM 773 N VAL A 55 -7.273 -1.261 0.482 1.00 0.00 N ATOM 774 CA VAL A 55 -7.174 -2.211 -0.648 1.00 0.00 C ATOM 775 C VAL A 55 -7.811 -3.569 -0.346 1.00 0.00 C ATOM 776 O VAL A 55 -7.975 -3.950 0.813 1.00 0.00 O ATOM 777 CB VAL A 55 -5.712 -2.528 -1.023 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.965 -1.274 -1.428 1.00 0.00 C ATOM 779 CG2 VAL A 55 -5.002 -3.259 0.107 1.00 0.00 C ATOM 0 H VAL A 55 -7.163 -1.693 1.399 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.698 -1.703 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.726 -3.193 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.938 -1.530 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.454 -0.822 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.965 -0.567 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.973 -3.469 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.005 -2.636 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.519 -4.196 0.316 1.00 0.00 H new ATOM 789 N SER A 56 -8.165 -4.283 -1.406 1.00 0.00 N ATOM 790 CA SER A 56 -8.742 -5.618 -1.296 1.00 0.00 C ATOM 791 C SER A 56 -7.768 -6.665 -1.852 1.00 0.00 C ATOM 792 O SER A 56 -7.258 -6.509 -2.958 1.00 0.00 O ATOM 793 CB SER A 56 -10.039 -5.675 -2.082 1.00 0.00 C ATOM 794 OG SER A 56 -11.015 -6.458 -1.418 1.00 0.00 O ATOM 0 H SER A 56 -8.061 -3.954 -2.366 1.00 0.00 H new ATOM 0 HA SER A 56 -8.935 -5.833 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.421 -4.665 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.848 -6.092 -3.071 1.00 0.00 H new ATOM 0 HG SER A 56 -11.839 -6.473 -1.949 1.00 0.00 H new ATOM 799 N LEU A 57 -7.564 -7.756 -1.108 1.00 0.00 N ATOM 800 CA LEU A 57 -6.635 -8.802 -1.561 1.00 0.00 C ATOM 801 C LEU A 57 -7.280 -9.712 -2.594 1.00 0.00 C ATOM 802 O LEU A 57 -8.389 -10.212 -2.402 1.00 0.00 O ATOM 803 CB LEU A 57 -6.130 -9.658 -0.396 1.00 0.00 C ATOM 804 CG LEU A 57 -5.199 -8.954 0.595 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.879 -9.863 1.776 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.912 -8.522 -0.092 1.00 0.00 C ATOM 0 H LEU A 57 -8.015 -7.939 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.790 -8.283 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.993 -10.037 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.607 -10.522 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.713 -8.068 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.216 -9.342 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.802 -10.130 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.389 -10.768 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.264 -8.024 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.402 -9.398 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.146 -7.834 -0.905 1.00 0.00 H new ATOM 817 N GLY A 58 -6.567 -9.916 -3.691 1.00 0.00 N ATOM 818 CA GLY A 58 -7.063 -10.755 -4.763 1.00 0.00 C ATOM 819 C GLY A 58 -6.839 -12.234 -4.490 1.00 0.00 C ATOM 820 O GLY A 58 -7.111 -13.074 -5.348 1.00 0.00 O ATOM 0 H GLY A 58 -5.646 -9.512 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.128 -10.571 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.568 -10.481 -5.695 1.00 0.00 H new ATOM 824 N ASN A 59 -6.341 -12.557 -3.295 1.00 0.00 N ATOM 825 CA ASN A 59 -6.069 -13.940 -2.929 1.00 0.00 C ATOM 826 C ASN A 59 -5.700 -14.050 -1.454 1.00 0.00 C ATOM 827 O ASN A 59 -6.259 -14.873 -0.733 1.00 0.00 O ATOM 828 CB ASN A 59 -4.939 -14.501 -3.794 1.00 0.00 C ATOM 829 CG ASN A 59 -4.560 -15.917 -3.405 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.217 -16.544 -2.575 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.492 -16.430 -4.007 1.00 0.00 N ATOM 0 H ASN A 59 -6.119 -11.877 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.974 -14.522 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.244 -14.484 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.064 -13.857 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.189 -17.379 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.976 -15.875 -4.690 1.00 0.00 H new