USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 171:sc= -0.108 (180deg=-0.206) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -3.06 K(o=-2.6,f=-0.83) USER MOD Set 2.2: A 46 SER OG : rot 19:sc= 0.488 USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0828 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.72 USER MOD Single : A 20 SER OG : rot -54:sc= 0.787 USER MOD Single : A 25 THR OG1 : rot -35:sc= 0.281 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 14:sc= -1.39 USER MOD Single : A 52 ASN : amide:sc= -2.4 K(o=-2.4,f=-9.9!) USER MOD Single : A 53 GLN : amide:sc= -0.634 K(o=-0.63,f=-3!) USER MOD Single : A 54 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.037) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.21) USER MOD Single : A 72 GLN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.88) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.000829 USER MOD Single : A 87 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 10:sc= 0.0328 USER MOD Single : A 93 HIS : no HE2:sc= -0.121 X(o=-0.12,f=-0.29) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= 0.53 (180deg=0.256) USER MOD Single : A 102 ASN : amide:sc= -4.09! C(o=-4.1!,f=-16!) USER MOD Single : A 103 ASN : amide:sc= -0.608 K(o=-0.61,f=-0.099) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -171:sc= 1.84 USER MOD Single : A 119 HIS : no HE2:sc= -0.845 X(o=-0.84,f=-0.64) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0441 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.370 2.624 -14.737 1.00 0.00 N ATOM 2 CA GLY A 1 -49.518 2.012 -15.381 1.00 0.00 C ATOM 3 C GLY A 1 -50.131 0.907 -14.544 1.00 0.00 C ATOM 4 O GLY A 1 -49.658 0.616 -13.445 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.566 3.630 -14.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.183 2.145 -13.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.538 2.535 -15.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -50.271 2.776 -15.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -49.216 1.607 -16.347 1.00 0.00 H new ATOM 8 N SER A 2 -51.188 0.291 -15.063 1.00 0.00 N ATOM 9 CA SER A 2 -51.871 -0.785 -14.353 1.00 0.00 C ATOM 10 C SER A 2 -50.878 -1.848 -13.894 1.00 0.00 C ATOM 11 O SER A 2 -50.903 -2.281 -12.742 1.00 0.00 O ATOM 12 CB SER A 2 -52.937 -1.419 -15.249 1.00 0.00 C ATOM 13 OG SER A 2 -53.990 -0.508 -15.512 1.00 0.00 O ATOM 0 H SER A 2 -51.590 0.518 -15.972 1.00 0.00 H new ATOM 0 HA SER A 2 -52.353 -0.359 -13.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 -52.485 -1.738 -16.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -53.336 -2.312 -14.768 1.00 0.00 H new ATOM 0 HG SER A 2 -54.657 -0.937 -16.088 1.00 0.00 H new ATOM 19 N SER A 3 -50.004 -2.265 -14.804 1.00 0.00 N ATOM 20 CA SER A 3 -49.004 -3.281 -14.495 1.00 0.00 C ATOM 21 C SER A 3 -47.616 -2.658 -14.378 1.00 0.00 C ATOM 22 O SER A 3 -47.380 -1.546 -14.847 1.00 0.00 O ATOM 23 CB SER A 3 -48.999 -4.366 -15.573 1.00 0.00 C ATOM 24 OG SER A 3 -48.139 -5.435 -15.216 1.00 0.00 O ATOM 0 H SER A 3 -49.968 -1.915 -15.761 1.00 0.00 H new ATOM 0 HA SER A 3 -49.263 -3.732 -13.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 -50.011 -4.743 -15.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.678 -3.938 -16.523 1.00 0.00 H new ATOM 0 HG SER A 3 -48.154 -6.116 -15.920 1.00 0.00 H new ATOM 30 N GLY A 4 -46.699 -3.386 -13.746 1.00 0.00 N ATOM 31 CA GLY A 4 -45.346 -2.890 -13.578 1.00 0.00 C ATOM 32 C GLY A 4 -44.320 -4.006 -13.547 1.00 0.00 C ATOM 33 O GLY A 4 -43.854 -4.459 -14.592 1.00 0.00 O ATOM 0 H GLY A 4 -46.870 -4.310 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -45.109 -2.205 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -45.284 -2.318 -12.652 1.00 0.00 H new ATOM 37 N SER A 5 -43.965 -4.448 -12.345 1.00 0.00 N ATOM 38 CA SER A 5 -42.983 -5.514 -12.182 1.00 0.00 C ATOM 39 C SER A 5 -41.629 -5.096 -12.748 1.00 0.00 C ATOM 40 O SER A 5 -40.946 -5.887 -13.399 1.00 0.00 O ATOM 41 CB SER A 5 -43.466 -6.791 -12.871 1.00 0.00 C ATOM 42 OG SER A 5 -44.708 -7.219 -12.341 1.00 0.00 O ATOM 0 H SER A 5 -44.342 -4.085 -11.470 1.00 0.00 H new ATOM 0 HA SER A 5 -42.867 -5.708 -11.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 -43.566 -6.614 -13.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 -42.723 -7.579 -12.746 1.00 0.00 H new ATOM 0 HG SER A 5 -44.995 -8.036 -12.800 1.00 0.00 H new ATOM 48 N SER A 6 -41.249 -3.848 -12.496 1.00 0.00 N ATOM 49 CA SER A 6 -39.979 -3.323 -12.984 1.00 0.00 C ATOM 50 C SER A 6 -39.565 -2.084 -12.195 1.00 0.00 C ATOM 51 O SER A 6 -40.405 -1.282 -11.791 1.00 0.00 O ATOM 52 CB SER A 6 -40.081 -2.983 -14.472 1.00 0.00 C ATOM 53 OG SER A 6 -41.163 -2.102 -14.721 1.00 0.00 O ATOM 0 H SER A 6 -41.802 -3.182 -11.957 1.00 0.00 H new ATOM 0 HA SER A 6 -39.219 -4.092 -12.846 1.00 0.00 H new ATOM 0 HB2 SER A 6 -39.151 -2.525 -14.808 1.00 0.00 H new ATOM 0 HB3 SER A 6 -40.213 -3.898 -15.049 1.00 0.00 H new ATOM 0 HG SER A 6 -41.206 -1.899 -15.679 1.00 0.00 H new ATOM 59 N GLY A 7 -38.261 -1.936 -11.980 1.00 0.00 N ATOM 60 CA GLY A 7 -37.756 -0.794 -11.240 1.00 0.00 C ATOM 61 C GLY A 7 -36.244 -0.786 -11.147 1.00 0.00 C ATOM 62 O GLY A 7 -35.545 -1.351 -11.989 1.00 0.00 O ATOM 0 H GLY A 7 -37.546 -2.586 -12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -38.092 0.124 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -38.179 -0.800 -10.235 1.00 0.00 H new ATOM 66 N PRO A 8 -35.715 -0.132 -10.102 1.00 0.00 N ATOM 67 CA PRO A 8 -34.269 -0.036 -9.877 1.00 0.00 C ATOM 68 C PRO A 8 -33.655 -1.373 -9.476 1.00 0.00 C ATOM 69 O PRO A 8 -34.325 -2.224 -8.891 1.00 0.00 O ATOM 70 CB PRO A 8 -34.155 0.971 -8.730 1.00 0.00 C ATOM 71 CG PRO A 8 -35.456 0.875 -8.010 1.00 0.00 C ATOM 72 CD PRO A 8 -36.487 0.564 -9.059 1.00 0.00 C ATOM 0 HA PRO A 8 -33.735 0.263 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -33.320 0.729 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -33.984 1.980 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -35.425 0.094 -7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -35.689 1.809 -7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -37.285 -0.064 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -36.955 1.470 -9.443 1.00 0.00 H new ATOM 80 N ALA A 9 -32.377 -1.551 -9.794 1.00 0.00 N ATOM 81 CA ALA A 9 -31.673 -2.784 -9.464 1.00 0.00 C ATOM 82 C ALA A 9 -30.602 -2.538 -8.406 1.00 0.00 C ATOM 83 O ALA A 9 -30.000 -1.465 -8.355 1.00 0.00 O ATOM 84 CB ALA A 9 -31.052 -3.388 -10.715 1.00 0.00 C ATOM 0 H ALA A 9 -31.808 -0.857 -10.280 1.00 0.00 H new ATOM 0 HA ALA A 9 -32.397 -3.488 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.529 -4.308 -10.454 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -31.836 -3.609 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -30.346 -2.680 -11.149 1.00 0.00 H new ATOM 90 N THR A 10 -30.370 -3.538 -7.562 1.00 0.00 N ATOM 91 CA THR A 10 -29.373 -3.430 -6.504 1.00 0.00 C ATOM 92 C THR A 10 -27.961 -3.410 -7.079 1.00 0.00 C ATOM 93 O THR A 10 -27.637 -4.182 -7.982 1.00 0.00 O ATOM 94 CB THR A 10 -29.491 -4.593 -5.501 1.00 0.00 C ATOM 95 OG1 THR A 10 -30.826 -4.666 -4.990 1.00 0.00 O ATOM 96 CG2 THR A 10 -28.511 -4.416 -4.350 1.00 0.00 C ATOM 0 H THR A 10 -30.859 -4.433 -7.590 1.00 0.00 H new ATOM 0 HA THR A 10 -29.563 -2.491 -5.984 1.00 0.00 H new ATOM 0 HB THR A 10 -29.251 -5.519 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 10 -30.893 -5.409 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 10 -28.612 -5.249 -3.654 1.00 0.00 H new ATOM 0 HG22 THR A 10 -27.493 -4.390 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 10 -28.725 -3.482 -3.831 1.00 0.00 H new ATOM 104 N ASP A 11 -27.125 -2.524 -6.550 1.00 0.00 N ATOM 105 CA ASP A 11 -25.746 -2.405 -7.009 1.00 0.00 C ATOM 106 C ASP A 11 -24.779 -2.394 -5.829 1.00 0.00 C ATOM 107 O ASP A 11 -25.066 -1.810 -4.785 1.00 0.00 O ATOM 108 CB ASP A 11 -25.571 -1.133 -7.840 1.00 0.00 C ATOM 109 CG ASP A 11 -25.532 0.117 -6.983 1.00 0.00 C ATOM 110 OD1 ASP A 11 -26.440 0.289 -6.143 1.00 0.00 O ATOM 111 OD2 ASP A 11 -24.594 0.923 -7.153 1.00 0.00 O ATOM 0 H ASP A 11 -27.378 -1.877 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 11 -25.520 -3.271 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -24.649 -1.203 -8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.390 -1.054 -8.555 1.00 0.00 H new ATOM 116 N TRP A 12 -23.635 -3.045 -6.003 1.00 0.00 N ATOM 117 CA TRP A 12 -22.626 -3.111 -4.952 1.00 0.00 C ATOM 118 C TRP A 12 -21.239 -2.806 -5.508 1.00 0.00 C ATOM 119 O TRP A 12 -20.962 -3.054 -6.682 1.00 0.00 O ATOM 120 CB TRP A 12 -22.633 -4.492 -4.296 1.00 0.00 C ATOM 121 CG TRP A 12 -22.376 -5.610 -5.261 1.00 0.00 C ATOM 122 CD1 TRP A 12 -23.179 -6.001 -6.294 1.00 0.00 C ATOM 123 CD2 TRP A 12 -21.240 -6.480 -5.282 1.00 0.00 C ATOM 124 NE1 TRP A 12 -22.611 -7.063 -6.955 1.00 0.00 N ATOM 125 CE2 TRP A 12 -21.420 -7.375 -6.354 1.00 0.00 C ATOM 126 CE3 TRP A 12 -20.087 -6.590 -4.500 1.00 0.00 C ATOM 127 CZ2 TRP A 12 -20.491 -8.365 -6.662 1.00 0.00 C ATOM 128 CZ3 TRP A 12 -19.166 -7.573 -4.806 1.00 0.00 C ATOM 129 CH2 TRP A 12 -19.371 -8.450 -5.880 1.00 0.00 C ATOM 0 H TRP A 12 -23.383 -3.535 -6.861 1.00 0.00 H new ATOM 0 HA TRP A 12 -22.870 -2.359 -4.202 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -21.876 -4.518 -3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -23.597 -4.652 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -24.122 -5.543 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -23.011 -7.541 -7.762 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -19.919 -5.918 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -20.648 -9.042 -7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -18.272 -7.667 -4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -18.631 -9.207 -6.094 1.00 0.00 H new ATOM 140 N LEU A 13 -20.372 -2.266 -4.659 1.00 0.00 N ATOM 141 CA LEU A 13 -19.013 -1.927 -5.066 1.00 0.00 C ATOM 142 C LEU A 13 -17.994 -2.479 -4.074 1.00 0.00 C ATOM 143 O LEU A 13 -18.358 -3.073 -3.059 1.00 0.00 O ATOM 144 CB LEU A 13 -18.857 -0.409 -5.182 1.00 0.00 C ATOM 145 CG LEU A 13 -18.862 0.368 -3.865 1.00 0.00 C ATOM 146 CD1 LEU A 13 -18.396 1.799 -4.089 1.00 0.00 C ATOM 147 CD2 LEU A 13 -20.249 0.348 -3.239 1.00 0.00 C ATOM 0 H LEU A 13 -20.586 -2.053 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 13 -18.828 -2.381 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.922 -0.198 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.663 -0.028 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.168 -0.115 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -18.406 2.337 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -17.383 1.793 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.065 2.293 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -20.234 0.906 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -20.963 0.806 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -20.545 -0.683 -3.043 1.00 0.00 H new ATOM 159 N SER A 14 -16.714 -2.279 -4.375 1.00 0.00 N ATOM 160 CA SER A 14 -15.642 -2.758 -3.511 1.00 0.00 C ATOM 161 C SER A 14 -14.914 -1.592 -2.850 1.00 0.00 C ATOM 162 O SER A 14 -15.165 -0.430 -3.167 1.00 0.00 O ATOM 163 CB SER A 14 -14.651 -3.603 -4.314 1.00 0.00 C ATOM 164 OG SER A 14 -14.030 -4.578 -3.494 1.00 0.00 O ATOM 0 H SER A 14 -16.395 -1.789 -5.211 1.00 0.00 H new ATOM 0 HA SER A 14 -16.087 -3.375 -2.730 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.170 -4.093 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.892 -2.957 -4.755 1.00 0.00 H new ATOM 0 HG SER A 14 -13.403 -5.106 -4.031 1.00 0.00 H new ATOM 170 N ALA A 15 -14.011 -1.912 -1.929 1.00 0.00 N ATOM 171 CA ALA A 15 -13.244 -0.892 -1.224 1.00 0.00 C ATOM 172 C ALA A 15 -11.765 -1.257 -1.169 1.00 0.00 C ATOM 173 O ALA A 15 -10.920 -0.544 -1.710 1.00 0.00 O ATOM 174 CB ALA A 15 -13.794 -0.695 0.181 1.00 0.00 C ATOM 0 H ALA A 15 -13.793 -2.870 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.340 0.044 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.212 0.069 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.836 -0.380 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.729 -1.633 0.732 1.00 0.00 H new ATOM 180 N GLU A 16 -11.459 -2.371 -0.511 1.00 0.00 N ATOM 181 CA GLU A 16 -10.081 -2.829 -0.385 1.00 0.00 C ATOM 182 C GLU A 16 -9.644 -3.592 -1.633 1.00 0.00 C ATOM 183 O GLU A 16 -9.944 -4.776 -1.788 1.00 0.00 O ATOM 184 CB GLU A 16 -9.927 -3.719 0.850 1.00 0.00 C ATOM 185 CG GLU A 16 -10.310 -3.030 2.149 1.00 0.00 C ATOM 186 CD GLU A 16 -9.142 -2.306 2.791 1.00 0.00 C ATOM 187 OE1 GLU A 16 -8.267 -1.815 2.047 1.00 0.00 O ATOM 188 OE2 GLU A 16 -9.103 -2.230 4.037 1.00 0.00 O ATOM 0 H GLU A 16 -12.147 -2.972 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.443 -1.952 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.544 -4.609 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.892 -4.055 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.112 -2.318 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.702 -3.770 2.847 1.00 0.00 H new ATOM 195 N THR A 17 -8.933 -2.904 -2.521 1.00 0.00 N ATOM 196 CA THR A 17 -8.456 -3.514 -3.756 1.00 0.00 C ATOM 197 C THR A 17 -7.112 -2.929 -4.174 1.00 0.00 C ATOM 198 O THR A 17 -7.008 -1.741 -4.478 1.00 0.00 O ATOM 199 CB THR A 17 -9.466 -3.323 -4.903 1.00 0.00 C ATOM 200 OG1 THR A 17 -9.631 -1.928 -5.183 1.00 0.00 O ATOM 201 CG2 THR A 17 -10.811 -3.937 -4.548 1.00 0.00 C ATOM 0 H THR A 17 -8.675 -1.924 -2.408 1.00 0.00 H new ATOM 0 HA THR A 17 -8.340 -4.580 -3.558 1.00 0.00 H new ATOM 0 HB THR A 17 -9.077 -3.827 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.822 -1.443 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.508 -3.789 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.687 -5.004 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.204 -3.458 -3.651 1.00 0.00 H new ATOM 209 N PHE A 18 -6.084 -3.772 -4.188 1.00 0.00 N ATOM 210 CA PHE A 18 -4.745 -3.338 -4.569 1.00 0.00 C ATOM 211 C PHE A 18 -4.586 -3.335 -6.087 1.00 0.00 C ATOM 212 O PHE A 18 -5.449 -3.828 -6.812 1.00 0.00 O ATOM 213 CB PHE A 18 -3.691 -4.249 -3.936 1.00 0.00 C ATOM 214 CG PHE A 18 -3.951 -4.549 -2.488 1.00 0.00 C ATOM 215 CD1 PHE A 18 -3.868 -3.548 -1.534 1.00 0.00 C ATOM 216 CD2 PHE A 18 -4.276 -5.833 -2.080 1.00 0.00 C ATOM 217 CE1 PHE A 18 -4.106 -3.820 -0.200 1.00 0.00 C ATOM 218 CE2 PHE A 18 -4.516 -6.111 -0.747 1.00 0.00 C ATOM 219 CZ PHE A 18 -4.429 -5.104 0.194 1.00 0.00 C ATOM 0 H PHE A 18 -6.153 -4.759 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.602 -2.321 -4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.651 -5.186 -4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.712 -3.780 -4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.614 -2.543 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.343 -6.625 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.040 -3.030 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.771 -7.115 -0.442 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.613 -5.320 1.236 1.00 0.00 H new ATOM 229 N GLU A 19 -3.476 -2.776 -6.559 1.00 0.00 N ATOM 230 CA GLU A 19 -3.205 -2.708 -7.990 1.00 0.00 C ATOM 231 C GLU A 19 -2.907 -4.094 -8.554 1.00 0.00 C ATOM 232 O GLU A 19 -2.092 -4.837 -8.006 1.00 0.00 O ATOM 233 CB GLU A 19 -2.027 -1.770 -8.264 1.00 0.00 C ATOM 234 CG GLU A 19 -2.277 -0.336 -7.828 1.00 0.00 C ATOM 235 CD GLU A 19 -3.209 0.405 -8.767 1.00 0.00 C ATOM 236 OE1 GLU A 19 -3.287 0.020 -9.952 1.00 0.00 O ATOM 237 OE2 GLU A 19 -3.860 1.371 -8.316 1.00 0.00 O ATOM 0 H GLU A 19 -2.751 -2.364 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.095 -2.317 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.144 -2.149 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.804 -1.783 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.702 -0.334 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.326 0.194 -7.773 1.00 0.00 H new ATOM 244 N SER A 20 -3.574 -4.436 -9.651 1.00 0.00 N ATOM 245 CA SER A 20 -3.384 -5.734 -10.288 1.00 0.00 C ATOM 246 C SER A 20 -3.160 -6.824 -9.244 1.00 0.00 C ATOM 247 O SER A 20 -2.450 -7.798 -9.490 1.00 0.00 O ATOM 248 CB SER A 20 -2.198 -5.685 -11.252 1.00 0.00 C ATOM 249 OG SER A 20 -2.076 -6.898 -11.973 1.00 0.00 O ATOM 0 H SER A 20 -4.251 -3.832 -10.118 1.00 0.00 H new ATOM 0 HA SER A 20 -4.288 -5.971 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.325 -4.856 -11.948 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.280 -5.496 -10.695 1.00 0.00 H new ATOM 0 HG SER A 20 -2.035 -7.649 -11.345 1.00 0.00 H new ATOM 255 N ASP A 21 -3.772 -6.650 -8.077 1.00 0.00 N ATOM 256 CA ASP A 21 -3.641 -7.618 -6.994 1.00 0.00 C ATOM 257 C ASP A 21 -2.189 -7.731 -6.538 1.00 0.00 C ATOM 258 O ASP A 21 -1.628 -8.827 -6.483 1.00 0.00 O ATOM 259 CB ASP A 21 -4.156 -8.987 -7.440 1.00 0.00 C ATOM 260 CG ASP A 21 -5.514 -8.904 -8.111 1.00 0.00 C ATOM 261 OD1 ASP A 21 -6.518 -8.707 -7.396 1.00 0.00 O ATOM 262 OD2 ASP A 21 -5.571 -9.036 -9.351 1.00 0.00 O ATOM 0 H ASP A 21 -4.363 -5.848 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.241 -7.269 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.440 -9.434 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.221 -9.647 -6.575 1.00 0.00 H new ATOM 267 N LEU A 22 -1.586 -6.593 -6.214 1.00 0.00 N ATOM 268 CA LEU A 22 -0.199 -6.564 -5.764 1.00 0.00 C ATOM 269 C LEU A 22 0.088 -7.717 -4.809 1.00 0.00 C ATOM 270 O LEU A 22 -0.819 -8.242 -4.163 1.00 0.00 O ATOM 271 CB LEU A 22 0.107 -5.231 -5.079 1.00 0.00 C ATOM 272 CG LEU A 22 0.450 -4.063 -6.005 1.00 0.00 C ATOM 273 CD1 LEU A 22 0.436 -2.751 -5.237 1.00 0.00 C ATOM 274 CD2 LEU A 22 1.804 -4.284 -6.663 1.00 0.00 C ATOM 0 H LEU A 22 -2.036 -5.678 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 22 0.443 -6.673 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.756 -4.949 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.940 -5.381 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.307 -4.010 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.682 -1.932 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.555 -2.587 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.171 -2.792 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.032 -3.443 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.573 -4.364 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.779 -5.203 -7.248 1.00 0.00 H new ATOM 286 N ASP A 23 1.356 -8.105 -4.722 1.00 0.00 N ATOM 287 CA ASP A 23 1.764 -9.195 -3.843 1.00 0.00 C ATOM 288 C ASP A 23 2.254 -8.656 -2.502 1.00 0.00 C ATOM 289 O ASP A 23 3.272 -7.968 -2.435 1.00 0.00 O ATOM 290 CB ASP A 23 2.862 -10.029 -4.504 1.00 0.00 C ATOM 291 CG ASP A 23 2.809 -11.487 -4.092 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.891 -11.855 -3.330 1.00 0.00 O ATOM 293 OD2 ASP A 23 3.685 -12.260 -4.532 1.00 0.00 O ATOM 0 H ASP A 23 2.119 -7.681 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 23 0.896 -9.830 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.766 -9.957 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.836 -9.616 -4.242 1.00 0.00 H new ATOM 298 N GLU A 24 1.523 -8.975 -1.439 1.00 0.00 N ATOM 299 CA GLU A 24 1.884 -8.521 -0.101 1.00 0.00 C ATOM 300 C GLU A 24 2.047 -9.704 0.849 1.00 0.00 C ATOM 301 O GLU A 24 1.736 -9.610 2.037 1.00 0.00 O ATOM 302 CB GLU A 24 0.822 -7.562 0.440 1.00 0.00 C ATOM 303 CG GLU A 24 1.367 -6.545 1.428 1.00 0.00 C ATOM 304 CD GLU A 24 0.281 -5.669 2.022 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.896 -6.085 2.001 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.610 -4.566 2.509 1.00 0.00 O ATOM 0 H GLU A 24 0.678 -9.545 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 24 2.837 -7.996 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.362 -7.034 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.035 -8.140 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.887 -7.067 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.103 -5.916 0.927 1.00 0.00 H new ATOM 313 N THR A 25 2.538 -10.819 0.317 1.00 0.00 N ATOM 314 CA THR A 25 2.742 -12.022 1.116 1.00 0.00 C ATOM 315 C THR A 25 4.226 -12.281 1.351 1.00 0.00 C ATOM 316 O THR A 25 4.597 -13.118 2.173 1.00 0.00 O ATOM 317 CB THR A 25 2.118 -13.257 0.440 1.00 0.00 C ATOM 318 OG1 THR A 25 2.096 -14.358 1.356 1.00 0.00 O ATOM 319 CG2 THR A 25 2.897 -13.644 -0.807 1.00 0.00 C ATOM 0 H THR A 25 2.802 -10.914 -0.664 1.00 0.00 H new ATOM 0 HA THR A 25 2.249 -11.853 2.074 1.00 0.00 H new ATOM 0 HB THR A 25 1.098 -13.007 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.894 -14.327 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.437 -14.519 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.887 -12.815 -1.514 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.927 -13.876 -0.535 1.00 0.00 H new ATOM 327 N ARG A 26 5.071 -11.556 0.624 1.00 0.00 N ATOM 328 CA ARG A 26 6.515 -11.709 0.754 1.00 0.00 C ATOM 329 C ARG A 26 7.209 -10.350 0.730 1.00 0.00 C ATOM 330 O ARG A 26 6.679 -9.379 0.189 1.00 0.00 O ATOM 331 CB ARG A 26 7.059 -12.591 -0.371 1.00 0.00 C ATOM 332 CG ARG A 26 7.105 -11.896 -1.722 1.00 0.00 C ATOM 333 CD ARG A 26 7.327 -12.889 -2.852 1.00 0.00 C ATOM 334 NE ARG A 26 7.404 -12.230 -4.153 1.00 0.00 N ATOM 335 CZ ARG A 26 7.124 -12.836 -5.301 1.00 0.00 C ATOM 336 NH1 ARG A 26 6.750 -14.108 -5.310 1.00 0.00 N ATOM 337 NH2 ARG A 26 7.217 -12.169 -6.445 1.00 0.00 N ATOM 0 H ARG A 26 4.780 -10.858 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 26 6.720 -12.186 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.064 -12.922 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.440 -13.484 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.172 -11.358 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.905 -11.156 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.248 -13.443 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.514 -13.615 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 26 7.688 -11.251 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.677 -14.624 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.536 -14.570 -6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.504 -11.190 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.002 -12.635 -7.326 1.00 0.00 H new ATOM 351 N VAL A 27 8.398 -10.288 1.321 1.00 0.00 N ATOM 352 CA VAL A 27 9.166 -9.050 1.367 1.00 0.00 C ATOM 353 C VAL A 27 9.883 -8.798 0.046 1.00 0.00 C ATOM 354 O VAL A 27 10.344 -9.721 -0.625 1.00 0.00 O ATOM 355 CB VAL A 27 10.203 -9.074 2.505 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.536 -9.411 3.830 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.314 -10.065 2.191 1.00 0.00 C ATOM 0 H VAL A 27 8.850 -11.082 1.775 1.00 0.00 H new ATOM 0 HA VAL A 27 8.455 -8.244 1.550 1.00 0.00 H new ATOM 0 HB VAL A 27 10.645 -8.081 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.285 -9.423 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.779 -8.660 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.065 -10.392 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.038 -10.070 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.890 -11.063 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.811 -9.774 1.265 1.00 0.00 H new ATOM 367 N PRO A 28 9.981 -7.517 -0.339 1.00 0.00 N ATOM 368 CA PRO A 28 10.642 -7.112 -1.583 1.00 0.00 C ATOM 369 C PRO A 28 12.153 -7.314 -1.529 1.00 0.00 C ATOM 370 O PRO A 28 12.875 -6.504 -0.950 1.00 0.00 O ATOM 371 CB PRO A 28 10.305 -5.623 -1.697 1.00 0.00 C ATOM 372 CG PRO A 28 10.061 -5.183 -0.295 1.00 0.00 C ATOM 373 CD PRO A 28 9.454 -6.364 0.411 1.00 0.00 C ATOM 0 HA PRO A 28 10.306 -7.705 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.124 -5.065 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.426 -5.462 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.990 -4.877 0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.390 -4.325 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.747 -6.399 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.365 -6.332 0.385 1.00 0.00 H new ATOM 381 N GLU A 29 12.622 -8.399 -2.137 1.00 0.00 N ATOM 382 CA GLU A 29 14.048 -8.706 -2.156 1.00 0.00 C ATOM 383 C GLU A 29 14.858 -7.500 -2.623 1.00 0.00 C ATOM 384 O GLU A 29 14.297 -6.476 -3.014 1.00 0.00 O ATOM 385 CB GLU A 29 14.322 -9.903 -3.069 1.00 0.00 C ATOM 386 CG GLU A 29 13.517 -11.140 -2.710 1.00 0.00 C ATOM 387 CD GLU A 29 14.234 -12.035 -1.718 1.00 0.00 C ATOM 388 OE1 GLU A 29 15.463 -12.211 -1.859 1.00 0.00 O ATOM 389 OE2 GLU A 29 13.568 -12.560 -0.802 1.00 0.00 O ATOM 0 H GLU A 29 12.037 -9.079 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 29 14.354 -8.956 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.100 -9.622 -4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.384 -10.146 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.558 -10.836 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.304 -11.706 -3.617 1.00 0.00 H new ATOM 396 N VAL A 30 16.180 -7.629 -2.579 1.00 0.00 N ATOM 397 CA VAL A 30 17.068 -6.551 -2.997 1.00 0.00 C ATOM 398 C VAL A 30 16.547 -5.868 -4.257 1.00 0.00 C ATOM 399 O VAL A 30 16.088 -6.514 -5.199 1.00 0.00 O ATOM 400 CB VAL A 30 18.494 -7.069 -3.260 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.466 -8.250 -4.217 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.374 -5.953 -3.803 1.00 0.00 C ATOM 0 H VAL A 30 16.660 -8.470 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 30 17.096 -5.829 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 30 18.918 -7.409 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.483 -8.602 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.872 -9.055 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.023 -7.941 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.378 -6.337 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.954 -5.581 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.421 -5.141 -3.078 1.00 0.00 H new ATOM 412 N PRO A 31 16.620 -4.529 -4.276 1.00 0.00 N ATOM 413 CA PRO A 31 16.161 -3.728 -5.416 1.00 0.00 C ATOM 414 C PRO A 31 17.058 -3.892 -6.638 1.00 0.00 C ATOM 415 O PRO A 31 18.115 -4.518 -6.564 1.00 0.00 O ATOM 416 CB PRO A 31 16.231 -2.292 -4.890 1.00 0.00 C ATOM 417 CG PRO A 31 17.262 -2.331 -3.816 1.00 0.00 C ATOM 418 CD PRO A 31 17.155 -3.693 -3.189 1.00 0.00 C ATOM 0 HA PRO A 31 15.168 -4.026 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.509 -1.594 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.267 -1.966 -4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.259 -2.167 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.088 -1.547 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.124 -4.054 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.492 -3.686 -2.324 1.00 0.00 H new ATOM 426 N SER A 32 16.629 -3.326 -7.761 1.00 0.00 N ATOM 427 CA SER A 32 17.391 -3.412 -9.001 1.00 0.00 C ATOM 428 C SER A 32 18.851 -3.032 -8.769 1.00 0.00 C ATOM 429 O SER A 32 19.763 -3.735 -9.202 1.00 0.00 O ATOM 430 CB SER A 32 16.779 -2.502 -10.067 1.00 0.00 C ATOM 431 OG SER A 32 17.699 -2.253 -11.115 1.00 0.00 O ATOM 0 H SER A 32 15.757 -2.802 -7.838 1.00 0.00 H new ATOM 0 HA SER A 32 17.352 -4.444 -9.350 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.879 -2.965 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.476 -1.558 -9.613 1.00 0.00 H new ATOM 0 HG SER A 32 17.283 -1.670 -11.784 1.00 0.00 H new ATOM 437 N SER A 33 19.062 -1.914 -8.081 1.00 0.00 N ATOM 438 CA SER A 33 20.409 -1.437 -7.794 1.00 0.00 C ATOM 439 C SER A 33 20.370 -0.214 -6.882 1.00 0.00 C ATOM 440 O SER A 33 19.303 0.201 -6.427 1.00 0.00 O ATOM 441 CB SER A 33 21.140 -1.093 -9.094 1.00 0.00 C ATOM 442 OG SER A 33 20.434 -0.110 -9.831 1.00 0.00 O ATOM 0 H SER A 33 18.317 -1.322 -7.712 1.00 0.00 H new ATOM 0 HA SER A 33 20.948 -2.234 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.143 -0.731 -8.866 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.256 -1.992 -9.699 1.00 0.00 H new ATOM 0 HG SER A 33 20.922 0.094 -10.656 1.00 0.00 H new ATOM 448 N LEU A 34 21.539 0.358 -6.618 1.00 0.00 N ATOM 449 CA LEU A 34 21.640 1.533 -5.760 1.00 0.00 C ATOM 450 C LEU A 34 22.887 2.346 -6.095 1.00 0.00 C ATOM 451 O LEU A 34 24.012 1.885 -5.901 1.00 0.00 O ATOM 452 CB LEU A 34 21.671 1.114 -4.289 1.00 0.00 C ATOM 453 CG LEU A 34 22.371 2.078 -3.331 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.488 3.284 -3.048 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.740 1.369 -2.036 1.00 0.00 C ATOM 0 H LEU A 34 22.431 0.027 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 34 20.763 2.157 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.644 0.977 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.162 0.143 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 34 23.288 2.428 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.003 3.959 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.274 3.806 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.553 2.952 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.237 2.070 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.836 0.990 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.411 0.538 -2.254 1.00 0.00 H new ATOM 467 N HIS A 35 22.678 3.559 -6.597 1.00 0.00 N ATOM 468 CA HIS A 35 23.785 4.439 -6.956 1.00 0.00 C ATOM 469 C HIS A 35 23.936 5.566 -5.939 1.00 0.00 C ATOM 470 O HIS A 35 22.953 6.028 -5.359 1.00 0.00 O ATOM 471 CB HIS A 35 23.568 5.022 -8.353 1.00 0.00 C ATOM 472 CG HIS A 35 24.479 6.167 -8.671 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.029 7.372 -9.169 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.823 6.287 -8.559 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.056 8.183 -9.351 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.156 7.549 -8.988 1.00 0.00 N ATOM 0 H HIS A 35 21.753 3.955 -6.764 1.00 0.00 H new ATOM 0 HA HIS A 35 24.701 3.848 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.714 4.235 -9.093 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.534 5.355 -8.442 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.506 5.532 -8.199 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.005 9.192 -9.732 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.100 7.934 -9.021 1.00 0.00 H new ATOM 485 N VAL A 36 25.173 6.003 -5.726 1.00 0.00 N ATOM 486 CA VAL A 36 25.453 7.076 -4.779 1.00 0.00 C ATOM 487 C VAL A 36 26.464 8.064 -5.351 1.00 0.00 C ATOM 488 O VAL A 36 27.440 7.669 -5.989 1.00 0.00 O ATOM 489 CB VAL A 36 25.990 6.522 -3.446 1.00 0.00 C ATOM 490 CG1 VAL A 36 24.917 5.712 -2.734 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.236 5.682 -3.682 1.00 0.00 C ATOM 0 H VAL A 36 25.998 5.630 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 36 24.510 7.591 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 36 26.262 7.361 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.314 5.328 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.056 6.348 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.611 4.878 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.602 5.299 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 36 26.993 4.848 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.007 6.297 -4.146 1.00 0.00 H new ATOM 501 N ARG A 37 26.224 9.350 -5.116 1.00 0.00 N ATOM 502 CA ARG A 37 27.113 10.395 -5.608 1.00 0.00 C ATOM 503 C ARG A 37 27.752 11.155 -4.449 1.00 0.00 C ATOM 504 O ARG A 37 27.103 11.936 -3.754 1.00 0.00 O ATOM 505 CB ARG A 37 26.346 11.365 -6.508 1.00 0.00 C ATOM 506 CG ARG A 37 26.387 10.993 -7.981 1.00 0.00 C ATOM 507 CD ARG A 37 26.272 12.222 -8.869 1.00 0.00 C ATOM 508 NE ARG A 37 26.320 11.878 -10.288 1.00 0.00 N ATOM 509 CZ ARG A 37 27.449 11.716 -10.967 1.00 0.00 C ATOM 510 NH1 ARG A 37 28.619 11.865 -10.361 1.00 0.00 N ATOM 511 NH2 ARG A 37 27.411 11.403 -12.256 1.00 0.00 N ATOM 0 H ARG A 37 25.421 9.693 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 37 27.904 9.921 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 37 25.307 11.406 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.759 12.366 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 37 27.318 10.471 -8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 37 25.574 10.303 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.337 12.739 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.081 12.915 -8.636 1.00 0.00 H new ATOM 0 HE ARG A 37 25.437 11.756 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.653 12.105 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 37 29.485 11.740 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.513 11.287 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 37 28.279 11.279 -12.776 1.00 0.00 H new ATOM 525 N PRO A 38 29.055 10.922 -4.235 1.00 0.00 N ATOM 526 CA PRO A 38 29.811 11.574 -3.162 1.00 0.00 C ATOM 527 C PRO A 38 30.019 13.062 -3.422 1.00 0.00 C ATOM 528 O PRO A 38 30.568 13.452 -4.453 1.00 0.00 O ATOM 529 CB PRO A 38 31.152 10.837 -3.172 1.00 0.00 C ATOM 530 CG PRO A 38 31.288 10.318 -4.562 1.00 0.00 C ATOM 531 CD PRO A 38 29.893 10.003 -5.025 1.00 0.00 C ATOM 0 HA PRO A 38 29.289 11.522 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.974 11.506 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.164 10.026 -2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.757 11.058 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.917 9.428 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.777 10.173 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.633 8.961 -4.838 1.00 0.00 H new ATOM 539 N LEU A 39 29.579 13.890 -2.481 1.00 0.00 N ATOM 540 CA LEU A 39 29.718 15.337 -2.608 1.00 0.00 C ATOM 541 C LEU A 39 30.571 15.903 -1.477 1.00 0.00 C ATOM 542 O LEU A 39 30.656 15.319 -0.397 1.00 0.00 O ATOM 543 CB LEU A 39 28.341 16.003 -2.606 1.00 0.00 C ATOM 544 CG LEU A 39 27.582 15.979 -3.934 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.855 14.654 -4.108 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.603 17.141 -4.010 1.00 0.00 C ATOM 0 H LEU A 39 29.123 13.584 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 39 30.216 15.548 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.725 15.516 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.462 17.042 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 39 28.303 16.084 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.320 14.654 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.578 13.838 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.145 14.519 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.072 17.108 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.887 17.067 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.148 18.082 -3.931 1.00 0.00 H new ATOM 558 N VAL A 40 31.200 17.046 -1.733 1.00 0.00 N ATOM 559 CA VAL A 40 32.044 17.694 -0.736 1.00 0.00 C ATOM 560 C VAL A 40 31.557 17.391 0.677 1.00 0.00 C ATOM 561 O VAL A 40 32.170 16.607 1.403 1.00 0.00 O ATOM 562 CB VAL A 40 32.081 19.220 -0.938 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.936 19.880 0.133 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.595 19.561 -2.328 1.00 0.00 C ATOM 0 H VAL A 40 31.141 17.542 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 40 33.050 17.294 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 40 31.066 19.606 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.950 20.958 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.518 19.664 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.953 19.492 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.614 20.644 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.602 19.163 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.937 19.121 -3.077 1.00 0.00 H new ATOM 574 N THR A 41 30.449 18.016 1.062 1.00 0.00 N ATOM 575 CA THR A 41 29.879 17.814 2.388 1.00 0.00 C ATOM 576 C THR A 41 28.489 17.196 2.301 1.00 0.00 C ATOM 577 O THR A 41 27.667 17.361 3.203 1.00 0.00 O ATOM 578 CB THR A 41 29.791 19.139 3.169 1.00 0.00 C ATOM 579 OG1 THR A 41 28.962 20.069 2.464 1.00 0.00 O ATOM 580 CG2 THR A 41 31.174 19.739 3.374 1.00 0.00 C ATOM 0 H THR A 41 29.928 18.667 0.474 1.00 0.00 H new ATOM 0 HA THR A 41 30.544 17.132 2.917 1.00 0.00 H new ATOM 0 HB THR A 41 29.354 18.931 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.910 20.908 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.087 20.674 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.794 19.041 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.634 19.933 2.405 1.00 0.00 H new ATOM 588 N SER A 42 28.231 16.482 1.209 1.00 0.00 N ATOM 589 CA SER A 42 26.937 15.841 1.003 1.00 0.00 C ATOM 590 C SER A 42 27.092 14.552 0.202 1.00 0.00 C ATOM 591 O SER A 42 28.199 14.179 -0.187 1.00 0.00 O ATOM 592 CB SER A 42 25.982 16.793 0.280 1.00 0.00 C ATOM 593 OG SER A 42 24.631 16.450 0.536 1.00 0.00 O ATOM 0 H SER A 42 28.901 16.333 0.454 1.00 0.00 H new ATOM 0 HA SER A 42 26.521 15.594 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 42 26.169 17.817 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 42 26.172 16.759 -0.793 1.00 0.00 H new ATOM 0 HG SER A 42 24.589 15.824 1.289 1.00 0.00 H new ATOM 599 N ILE A 43 25.974 13.876 -0.041 1.00 0.00 N ATOM 600 CA ILE A 43 25.984 12.629 -0.796 1.00 0.00 C ATOM 601 C ILE A 43 24.607 12.329 -1.379 1.00 0.00 C ATOM 602 O ILE A 43 23.684 11.953 -0.656 1.00 0.00 O ATOM 603 CB ILE A 43 26.428 11.444 0.080 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.831 11.691 0.639 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.392 10.150 -0.720 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.361 10.545 1.472 1.00 0.00 C ATOM 0 H ILE A 43 25.050 14.171 0.274 1.00 0.00 H new ATOM 0 HA ILE A 43 26.700 12.757 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 43 25.735 11.351 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.516 11.875 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.817 12.595 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.709 9.322 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.377 9.969 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.065 10.231 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.359 10.790 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.698 10.375 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.408 9.643 0.862 1.00 0.00 H new ATOM 618 N VAL A 44 24.477 12.495 -2.691 1.00 0.00 N ATOM 619 CA VAL A 44 23.213 12.238 -3.372 1.00 0.00 C ATOM 620 C VAL A 44 22.992 10.744 -3.576 1.00 0.00 C ATOM 621 O VAL A 44 23.433 10.170 -4.572 1.00 0.00 O ATOM 622 CB VAL A 44 23.160 12.945 -4.740 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.916 12.526 -5.509 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.203 14.455 -4.562 1.00 0.00 C ATOM 0 H VAL A 44 25.231 12.806 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 44 22.423 12.635 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 44 24.034 12.646 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.895 13.035 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.933 11.448 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.027 12.794 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.165 14.938 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.349 14.775 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.126 14.735 -4.055 1.00 0.00 H new ATOM 634 N VAL A 45 22.306 10.118 -2.624 1.00 0.00 N ATOM 635 CA VAL A 45 22.024 8.689 -2.699 1.00 0.00 C ATOM 636 C VAL A 45 20.801 8.415 -3.567 1.00 0.00 C ATOM 637 O VAL A 45 19.665 8.629 -3.142 1.00 0.00 O ATOM 638 CB VAL A 45 21.793 8.089 -1.300 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.501 6.599 -1.399 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.995 8.347 -0.404 1.00 0.00 C ATOM 0 H VAL A 45 21.936 10.578 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 45 22.897 8.217 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 45 20.926 8.576 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.341 6.193 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.607 6.443 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.346 6.093 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.814 7.916 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.881 7.889 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.152 9.421 -0.306 1.00 0.00 H new ATOM 650 N SER A 46 21.040 7.940 -4.785 1.00 0.00 N ATOM 651 CA SER A 46 19.958 7.640 -5.714 1.00 0.00 C ATOM 652 C SER A 46 19.789 6.133 -5.882 1.00 0.00 C ATOM 653 O SER A 46 20.734 5.426 -6.233 1.00 0.00 O ATOM 654 CB SER A 46 20.229 8.288 -7.073 1.00 0.00 C ATOM 655 OG SER A 46 21.298 7.641 -7.743 1.00 0.00 O ATOM 0 H SER A 46 21.974 7.755 -5.151 1.00 0.00 H new ATOM 0 HA SER A 46 19.035 8.049 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.330 8.242 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.467 9.343 -6.935 1.00 0.00 H new ATOM 0 HG SER A 46 21.439 6.753 -7.353 1.00 0.00 H new ATOM 661 N TRP A 47 18.579 5.648 -5.629 1.00 0.00 N ATOM 662 CA TRP A 47 18.285 4.225 -5.751 1.00 0.00 C ATOM 663 C TRP A 47 17.167 3.985 -6.761 1.00 0.00 C ATOM 664 O TRP A 47 16.577 4.930 -7.286 1.00 0.00 O ATOM 665 CB TRP A 47 17.893 3.645 -4.391 1.00 0.00 C ATOM 666 CG TRP A 47 16.654 4.262 -3.817 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.371 3.817 -3.966 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.580 5.439 -3.004 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.505 4.645 -3.295 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.221 5.647 -2.696 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.529 6.335 -2.506 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.792 6.716 -1.913 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.101 7.395 -1.729 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.742 7.578 -1.438 1.00 0.00 C ATOM 0 H TRP A 47 17.786 6.219 -5.338 1.00 0.00 H new ATOM 0 HA TRP A 47 19.185 3.723 -6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.742 2.570 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.718 3.786 -3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.080 2.942 -4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.492 4.532 -3.250 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.578 6.202 -2.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.745 6.859 -1.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.826 8.094 -1.339 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.439 8.416 -0.827 1.00 0.00 H new ATOM 685 N THR A 48 16.881 2.715 -7.029 1.00 0.00 N ATOM 686 CA THR A 48 15.835 2.351 -7.977 1.00 0.00 C ATOM 687 C THR A 48 14.928 1.266 -7.405 1.00 0.00 C ATOM 688 O THR A 48 15.311 0.511 -6.512 1.00 0.00 O ATOM 689 CB THR A 48 16.430 1.857 -9.309 1.00 0.00 C ATOM 690 OG1 THR A 48 17.580 1.041 -9.059 1.00 0.00 O ATOM 691 CG2 THR A 48 16.818 3.031 -10.196 1.00 0.00 C ATOM 0 H THR A 48 17.359 1.921 -6.603 1.00 0.00 H new ATOM 0 HA THR A 48 15.249 3.251 -8.162 1.00 0.00 H new ATOM 0 HB THR A 48 15.672 1.267 -9.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.952 0.730 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.236 2.658 -11.131 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.935 3.634 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.561 3.643 -9.685 1.00 0.00 H new ATOM 699 N PRO A 49 13.697 1.185 -7.932 1.00 0.00 N ATOM 700 CA PRO A 49 12.711 0.195 -7.490 1.00 0.00 C ATOM 701 C PRO A 49 13.088 -1.224 -7.904 1.00 0.00 C ATOM 702 O PRO A 49 13.889 -1.438 -8.814 1.00 0.00 O ATOM 703 CB PRO A 49 11.426 0.634 -8.196 1.00 0.00 C ATOM 704 CG PRO A 49 11.891 1.378 -9.400 1.00 0.00 C ATOM 705 CD PRO A 49 13.173 2.053 -8.999 1.00 0.00 C ATOM 0 HA PRO A 49 12.627 0.161 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.813 -0.224 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.816 1.266 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.052 0.701 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.148 2.109 -9.718 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.868 2.125 -9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.998 3.068 -8.642 1.00 0.00 H new ATOM 713 N PRO A 50 12.499 -2.217 -7.221 1.00 0.00 N ATOM 714 CA PRO A 50 12.757 -3.632 -7.502 1.00 0.00 C ATOM 715 C PRO A 50 12.174 -4.074 -8.840 1.00 0.00 C ATOM 716 O PRO A 50 10.980 -3.915 -9.089 1.00 0.00 O ATOM 717 CB PRO A 50 12.057 -4.356 -6.349 1.00 0.00 C ATOM 718 CG PRO A 50 10.987 -3.418 -5.907 1.00 0.00 C ATOM 719 CD PRO A 50 11.534 -2.034 -6.124 1.00 0.00 C ATOM 0 HA PRO A 50 13.824 -3.845 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.639 -5.308 -6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.752 -4.574 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.073 -3.571 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.736 -3.578 -4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.748 -1.329 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.015 -1.647 -5.226 1.00 0.00 H new ATOM 727 N GLU A 51 13.026 -4.628 -9.697 1.00 0.00 N ATOM 728 CA GLU A 51 12.593 -5.092 -11.010 1.00 0.00 C ATOM 729 C GLU A 51 11.189 -5.685 -10.943 1.00 0.00 C ATOM 730 O GLU A 51 10.389 -5.521 -11.863 1.00 0.00 O ATOM 731 CB GLU A 51 13.573 -6.133 -11.556 1.00 0.00 C ATOM 732 CG GLU A 51 14.715 -5.532 -12.359 1.00 0.00 C ATOM 733 CD GLU A 51 15.329 -6.521 -13.330 1.00 0.00 C ATOM 734 OE1 GLU A 51 14.691 -6.810 -14.364 1.00 0.00 O ATOM 735 OE2 GLU A 51 16.446 -7.007 -13.057 1.00 0.00 O ATOM 0 H GLU A 51 14.018 -4.766 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 51 12.574 -4.234 -11.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.986 -6.703 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.029 -6.837 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.350 -4.666 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.485 -5.173 -11.676 1.00 0.00 H new ATOM 742 N ASN A 52 10.898 -6.377 -9.846 1.00 0.00 N ATOM 743 CA ASN A 52 9.591 -6.996 -9.657 1.00 0.00 C ATOM 744 C ASN A 52 8.626 -6.033 -8.973 1.00 0.00 C ATOM 745 O ASN A 52 8.592 -5.941 -7.746 1.00 0.00 O ATOM 746 CB ASN A 52 9.724 -8.276 -8.830 1.00 0.00 C ATOM 747 CG ASN A 52 8.448 -9.094 -8.820 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.373 -8.584 -8.503 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.561 -10.371 -9.168 1.00 0.00 N ATOM 0 H ASN A 52 11.549 -6.523 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 52 9.190 -7.246 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.537 -8.881 -9.231 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.994 -8.017 -7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.736 -10.971 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.472 -10.751 -9.423 1.00 0.00 H new ATOM 756 N GLN A 53 7.843 -5.318 -9.775 1.00 0.00 N ATOM 757 CA GLN A 53 6.878 -4.362 -9.246 1.00 0.00 C ATOM 758 C GLN A 53 5.739 -5.079 -8.527 1.00 0.00 C ATOM 759 O GLN A 53 5.279 -4.636 -7.476 1.00 0.00 O ATOM 760 CB GLN A 53 6.318 -3.493 -10.373 1.00 0.00 C ATOM 761 CG GLN A 53 7.256 -2.378 -10.805 1.00 0.00 C ATOM 762 CD GLN A 53 7.903 -1.672 -9.630 1.00 0.00 C ATOM 763 OE1 GLN A 53 9.128 -1.595 -9.535 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.081 -1.151 -8.726 1.00 0.00 N ATOM 0 H GLN A 53 7.858 -5.383 -10.793 1.00 0.00 H new ATOM 0 HA GLN A 53 7.393 -3.725 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.098 -4.125 -11.233 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.373 -3.057 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.033 -2.791 -11.449 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.702 -1.652 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.072 -1.238 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.459 -0.664 -7.914 1.00 0.00 H new ATOM 773 N ASN A 54 5.289 -6.189 -9.102 1.00 0.00 N ATOM 774 CA ASN A 54 4.203 -6.967 -8.517 1.00 0.00 C ATOM 775 C ASN A 54 4.290 -6.963 -6.994 1.00 0.00 C ATOM 776 O ASN A 54 3.275 -6.863 -6.304 1.00 0.00 O ATOM 777 CB ASN A 54 4.241 -8.406 -9.037 1.00 0.00 C ATOM 778 CG ASN A 54 3.996 -8.487 -10.531 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.930 -8.655 -11.316 1.00 0.00 O ATOM 780 ND2 ASN A 54 2.736 -8.367 -10.932 1.00 0.00 N ATOM 0 H ASN A 54 5.659 -6.570 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 54 3.260 -6.506 -8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.210 -8.847 -8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.489 -8.998 -8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.510 -8.413 -11.926 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.994 -8.229 -10.246 1.00 0.00 H new ATOM 787 N ILE A 55 5.509 -7.071 -6.476 1.00 0.00 N ATOM 788 CA ILE A 55 5.729 -7.077 -5.035 1.00 0.00 C ATOM 789 C ILE A 55 5.445 -5.707 -4.430 1.00 0.00 C ATOM 790 O ILE A 55 5.803 -4.677 -5.001 1.00 0.00 O ATOM 791 CB ILE A 55 7.172 -7.491 -4.688 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.480 -8.876 -5.258 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.378 -7.474 -3.180 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.949 -9.233 -5.219 1.00 0.00 C ATOM 0 H ILE A 55 6.359 -7.156 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 55 5.039 -7.807 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 55 7.859 -6.774 -5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.918 -9.623 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.131 -8.921 -6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.402 -7.769 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.195 -6.469 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.685 -8.172 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.093 -10.228 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.515 -8.507 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.299 -9.221 -4.187 1.00 0.00 H new ATOM 806 N VAL A 56 4.800 -5.702 -3.267 1.00 0.00 N ATOM 807 CA VAL A 56 4.470 -4.458 -2.581 1.00 0.00 C ATOM 808 C VAL A 56 5.708 -3.837 -1.944 1.00 0.00 C ATOM 809 O VAL A 56 6.518 -4.532 -1.329 1.00 0.00 O ATOM 810 CB VAL A 56 3.403 -4.683 -1.493 1.00 0.00 C ATOM 811 CG1 VAL A 56 3.182 -3.410 -0.691 1.00 0.00 C ATOM 812 CG2 VAL A 56 2.102 -5.165 -2.115 1.00 0.00 C ATOM 0 H VAL A 56 4.496 -6.545 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 56 4.072 -3.777 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 56 3.760 -5.455 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.425 -3.588 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.116 -3.114 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.846 -2.615 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.359 -5.319 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.737 -4.418 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.276 -6.104 -2.640 1.00 0.00 H new ATOM 822 N VAL A 57 5.848 -2.524 -2.094 1.00 0.00 N ATOM 823 CA VAL A 57 6.987 -1.808 -1.531 1.00 0.00 C ATOM 824 C VAL A 57 6.541 -0.525 -0.837 1.00 0.00 C ATOM 825 O VAL A 57 6.029 0.393 -1.478 1.00 0.00 O ATOM 826 CB VAL A 57 8.022 -1.458 -2.616 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.198 -0.707 -2.011 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.493 -2.717 -3.328 1.00 0.00 C ATOM 0 H VAL A 57 5.187 -1.934 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 57 7.448 -2.472 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 57 7.546 -0.808 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.919 -0.468 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.843 0.215 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.676 -1.329 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.224 -2.451 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.951 -3.393 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.641 -3.210 -3.797 1.00 0.00 H new ATOM 838 N ARG A 58 6.740 -0.469 0.475 1.00 0.00 N ATOM 839 CA ARG A 58 6.357 0.701 1.257 1.00 0.00 C ATOM 840 C ARG A 58 7.442 1.772 1.197 1.00 0.00 C ATOM 841 O ARG A 58 7.156 2.949 0.978 1.00 0.00 O ATOM 842 CB ARG A 58 6.095 0.306 2.711 1.00 0.00 C ATOM 843 CG ARG A 58 4.909 -0.629 2.884 1.00 0.00 C ATOM 844 CD ARG A 58 3.590 0.111 2.728 1.00 0.00 C ATOM 845 NE ARG A 58 2.451 -0.709 3.134 1.00 0.00 N ATOM 846 CZ ARG A 58 1.207 -0.496 2.719 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.943 0.505 1.892 1.00 0.00 N ATOM 848 NH2 ARG A 58 0.225 -1.286 3.133 1.00 0.00 N ATOM 0 H ARG A 58 7.164 -1.220 1.020 1.00 0.00 H new ATOM 0 HA ARG A 58 5.442 1.110 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.987 -0.174 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.924 1.208 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.967 -1.432 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.952 -1.095 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.612 1.022 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.466 0.415 1.689 1.00 0.00 H new ATOM 0 HE ARG A 58 2.620 -1.488 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.696 1.114 1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.013 0.666 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.425 -2.057 3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.730 -1.122 2.814 1.00 0.00 H new ATOM 862 N GLY A 59 8.690 1.356 1.394 1.00 0.00 N ATOM 863 CA GLY A 59 9.798 2.293 1.360 1.00 0.00 C ATOM 864 C GLY A 59 11.145 1.598 1.398 1.00 0.00 C ATOM 865 O GLY A 59 11.229 0.381 1.230 1.00 0.00 O ATOM 0 H GLY A 59 8.953 0.388 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.730 2.899 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.720 2.974 2.207 1.00 0.00 H new ATOM 869 N TYR A 60 12.201 2.372 1.617 1.00 0.00 N ATOM 870 CA TYR A 60 13.552 1.825 1.673 1.00 0.00 C ATOM 871 C TYR A 60 14.353 2.464 2.803 1.00 0.00 C ATOM 872 O TYR A 60 14.197 3.649 3.096 1.00 0.00 O ATOM 873 CB TYR A 60 14.268 2.042 0.339 1.00 0.00 C ATOM 874 CG TYR A 60 13.387 1.804 -0.867 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.575 2.813 -1.370 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.368 0.569 -1.505 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.769 2.599 -2.470 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.566 0.347 -2.607 1.00 0.00 C ATOM 879 CZ TYR A 60 11.768 1.364 -3.086 1.00 0.00 C ATOM 880 OH TYR A 60 10.967 1.148 -4.184 1.00 0.00 O ATOM 0 H TYR A 60 12.148 3.381 1.759 1.00 0.00 H new ATOM 0 HA TYR A 60 13.475 0.755 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.651 3.062 0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.130 1.376 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.574 3.782 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.991 -0.231 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.142 3.394 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.564 -0.618 -3.091 1.00 0.00 H new ATOM 0 HH TYR A 60 11.085 0.227 -4.499 1.00 0.00 H new ATOM 890 N ALA A 61 15.212 1.670 3.433 1.00 0.00 N ATOM 891 CA ALA A 61 16.040 2.157 4.529 1.00 0.00 C ATOM 892 C ALA A 61 17.472 2.406 4.067 1.00 0.00 C ATOM 893 O ALA A 61 18.166 1.481 3.643 1.00 0.00 O ATOM 894 CB ALA A 61 16.021 1.168 5.685 1.00 0.00 C ATOM 0 H ALA A 61 15.353 0.686 3.203 1.00 0.00 H new ATOM 0 HA ALA A 61 15.626 3.106 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.644 1.545 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.998 1.043 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.408 0.206 5.348 1.00 0.00 H new ATOM 900 N ILE A 62 17.906 3.659 4.150 1.00 0.00 N ATOM 901 CA ILE A 62 19.256 4.027 3.741 1.00 0.00 C ATOM 902 C ILE A 62 20.211 4.023 4.929 1.00 0.00 C ATOM 903 O ILE A 62 19.955 4.663 5.948 1.00 0.00 O ATOM 904 CB ILE A 62 19.283 5.418 3.079 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.368 5.441 1.853 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.706 5.792 2.692 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.978 6.836 1.416 1.00 0.00 C ATOM 0 H ILE A 62 17.343 4.436 4.496 1.00 0.00 H new ATOM 0 HA ILE A 62 19.581 3.281 3.015 1.00 0.00 H new ATOM 0 HB ILE A 62 18.917 6.153 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.869 4.937 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.465 4.872 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.709 6.777 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.333 5.811 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.097 5.056 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.329 6.776 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.449 7.337 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.875 7.402 1.164 1.00 0.00 H new ATOM 919 N GLY A 63 21.317 3.298 4.789 1.00 0.00 N ATOM 920 CA GLY A 63 22.296 3.226 5.858 1.00 0.00 C ATOM 921 C GLY A 63 23.646 3.779 5.447 1.00 0.00 C ATOM 922 O GLY A 63 24.270 3.280 4.510 1.00 0.00 O ATOM 0 H GLY A 63 21.552 2.760 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.928 3.780 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.412 2.188 6.171 1.00 0.00 H new ATOM 926 N TYR A 64 24.098 4.814 6.146 1.00 0.00 N ATOM 927 CA TYR A 64 25.381 5.438 5.845 1.00 0.00 C ATOM 928 C TYR A 64 26.236 5.559 7.103 1.00 0.00 C ATOM 929 O TYR A 64 25.717 5.678 8.212 1.00 0.00 O ATOM 930 CB TYR A 64 25.166 6.821 5.227 1.00 0.00 C ATOM 931 CG TYR A 64 24.333 7.745 6.085 1.00 0.00 C ATOM 932 CD1 TYR A 64 22.945 7.713 6.030 1.00 0.00 C ATOM 933 CD2 TYR A 64 24.933 8.652 6.949 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.179 8.556 6.811 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.175 9.498 7.736 1.00 0.00 C ATOM 936 CZ TYR A 64 22.799 9.447 7.663 1.00 0.00 C ATOM 937 OH TYR A 64 22.040 10.289 8.443 1.00 0.00 O ATOM 0 H TYR A 64 23.595 5.239 6.925 1.00 0.00 H new ATOM 0 HA TYR A 64 25.906 4.805 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.136 7.283 5.046 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.682 6.705 4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.456 7.017 5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.011 8.697 7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.101 8.518 6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.658 10.195 8.405 1.00 0.00 H new ATOM 0 HH TYR A 64 22.630 10.852 8.987 1.00 0.00 H new ATOM 947 N GLY A 65 27.553 5.527 6.921 1.00 0.00 N ATOM 948 CA GLY A 65 28.461 5.634 8.048 1.00 0.00 C ATOM 949 C GLY A 65 29.868 5.188 7.703 1.00 0.00 C ATOM 950 O GLY A 65 30.059 4.153 7.064 1.00 0.00 O ATOM 0 H GLY A 65 28.007 5.429 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.485 6.667 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.084 5.030 8.873 1.00 0.00 H new ATOM 954 N ILE A 66 30.855 5.971 8.125 1.00 0.00 N ATOM 955 CA ILE A 66 32.251 5.651 7.857 1.00 0.00 C ATOM 956 C ILE A 66 32.616 4.277 8.409 1.00 0.00 C ATOM 957 O ILE A 66 32.514 4.032 9.610 1.00 0.00 O ATOM 958 CB ILE A 66 33.197 6.704 8.464 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.891 8.088 7.889 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.648 6.325 8.205 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.436 9.224 8.726 1.00 0.00 C ATOM 0 H ILE A 66 30.713 6.832 8.654 1.00 0.00 H new ATOM 0 HA ILE A 66 32.371 5.648 6.774 1.00 0.00 H new ATOM 0 HB ILE A 66 33.037 6.736 9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.308 8.155 6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.811 8.203 7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.304 7.079 8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.858 5.356 8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.823 6.268 7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.182 10.175 8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 66 33.000 9.182 9.724 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.520 9.134 8.800 1.00 0.00 H new ATOM 973 N GLY A 67 33.045 3.384 7.522 1.00 0.00 N ATOM 974 CA GLY A 67 33.421 2.046 7.940 1.00 0.00 C ATOM 975 C GLY A 67 32.249 1.084 7.929 1.00 0.00 C ATOM 976 O GLY A 67 32.317 0.018 7.317 1.00 0.00 O ATOM 0 H GLY A 67 33.139 3.563 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.203 1.669 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.843 2.088 8.944 1.00 0.00 H new ATOM 980 N SER A 68 31.171 1.461 8.610 1.00 0.00 N ATOM 981 CA SER A 68 29.980 0.621 8.681 1.00 0.00 C ATOM 982 C SER A 68 28.713 1.466 8.585 1.00 0.00 C ATOM 983 O SER A 68 28.612 2.547 9.165 1.00 0.00 O ATOM 984 CB SER A 68 29.974 -0.181 9.984 1.00 0.00 C ATOM 985 OG SER A 68 31.142 -0.975 10.099 1.00 0.00 O ATOM 0 H SER A 68 31.098 2.341 9.120 1.00 0.00 H new ATOM 0 HA SER A 68 30.001 -0.069 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.908 0.499 10.833 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.091 -0.820 10.018 1.00 0.00 H new ATOM 0 HG SER A 68 31.115 -1.477 10.940 1.00 0.00 H new ATOM 991 N PRO A 69 27.723 0.962 7.834 1.00 0.00 N ATOM 992 CA PRO A 69 26.444 1.652 7.644 1.00 0.00 C ATOM 993 C PRO A 69 25.602 1.675 8.915 1.00 0.00 C ATOM 994 O PRO A 69 24.490 2.204 8.926 1.00 0.00 O ATOM 995 CB PRO A 69 25.752 0.824 6.558 1.00 0.00 C ATOM 996 CG PRO A 69 26.351 -0.534 6.679 1.00 0.00 C ATOM 997 CD PRO A 69 27.775 -0.322 7.115 1.00 0.00 C ATOM 0 HA PRO A 69 26.582 2.700 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.673 0.796 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.924 1.246 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.806 -1.137 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.309 -1.065 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.123 -1.130 7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.454 -0.279 6.263 1.00 0.00 H new ATOM 1005 N HIS A 70 26.139 1.096 9.985 1.00 0.00 N ATOM 1006 CA HIS A 70 25.436 1.051 11.263 1.00 0.00 C ATOM 1007 C HIS A 70 25.644 2.345 12.043 1.00 0.00 C ATOM 1008 O HIS A 70 25.867 2.323 13.253 1.00 0.00 O ATOM 1009 CB HIS A 70 25.917 -0.141 12.091 1.00 0.00 C ATOM 1010 CG HIS A 70 25.891 -1.439 11.344 1.00 0.00 C ATOM 1011 ND1 HIS A 70 25.180 -2.540 11.772 1.00 0.00 N ATOM 1012 CD2 HIS A 70 26.494 -1.808 10.189 1.00 0.00 C ATOM 1013 CE1 HIS A 70 25.348 -3.530 10.915 1.00 0.00 C ATOM 1014 NE2 HIS A 70 26.140 -3.112 9.944 1.00 0.00 N ATOM 0 H HIS A 70 27.057 0.652 9.993 1.00 0.00 H new ATOM 0 HA HIS A 70 24.371 0.937 11.061 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.934 0.051 12.433 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.293 -0.231 12.980 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.134 -1.192 9.575 1.00 0.00 H new ATOM 0 HE1 HIS A 70 24.912 -4.515 10.994 1.00 0.00 H new ATOM 0 HE2 HIS A 70 26.440 -3.667 9.143 1.00 0.00 H new ATOM 1023 N ALA A 71 25.570 3.472 11.342 1.00 0.00 N ATOM 1024 CA ALA A 71 25.749 4.775 11.970 1.00 0.00 C ATOM 1025 C ALA A 71 24.428 5.532 12.049 1.00 0.00 C ATOM 1026 O ALA A 71 24.035 6.003 13.116 1.00 0.00 O ATOM 1027 CB ALA A 71 26.782 5.591 11.207 1.00 0.00 C ATOM 0 H ALA A 71 25.387 3.509 10.339 1.00 0.00 H new ATOM 0 HA ALA A 71 26.107 4.615 12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.906 6.562 11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.735 5.062 11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.446 5.734 10.180 1.00 0.00 H new ATOM 1033 N GLN A 72 23.747 5.646 10.913 1.00 0.00 N ATOM 1034 CA GLN A 72 22.470 6.348 10.855 1.00 0.00 C ATOM 1035 C GLN A 72 21.574 5.758 9.771 1.00 0.00 C ATOM 1036 O GLN A 72 22.056 5.277 8.745 1.00 0.00 O ATOM 1037 CB GLN A 72 22.695 7.838 10.593 1.00 0.00 C ATOM 1038 CG GLN A 72 23.102 8.619 11.832 1.00 0.00 C ATOM 1039 CD GLN A 72 23.651 9.993 11.502 1.00 0.00 C ATOM 1040 OE1 GLN A 72 23.020 11.011 11.787 1.00 0.00 O ATOM 1041 NE2 GLN A 72 24.832 10.029 10.896 1.00 0.00 N ATOM 0 H GLN A 72 24.058 5.262 10.021 1.00 0.00 H new ATOM 0 HA GLN A 72 21.973 6.227 11.817 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.467 7.952 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.780 8.269 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.239 8.725 12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.854 8.054 12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.320 9.160 10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.251 10.925 10.648 1.00 0.00 H new ATOM 1050 N THR A 73 20.266 5.799 10.005 1.00 0.00 N ATOM 1051 CA THR A 73 19.302 5.268 9.050 1.00 0.00 C ATOM 1052 C THR A 73 18.185 6.270 8.780 1.00 0.00 C ATOM 1053 O THR A 73 17.619 6.847 9.709 1.00 0.00 O ATOM 1054 CB THR A 73 18.683 3.949 9.551 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.715 2.994 9.820 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.715 3.381 8.524 1.00 0.00 C ATOM 0 H THR A 73 19.850 6.195 10.848 1.00 0.00 H new ATOM 0 HA THR A 73 19.846 5.077 8.125 1.00 0.00 H new ATOM 0 HB THR A 73 18.133 4.157 10.469 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.313 2.159 10.140 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.291 2.450 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.914 4.098 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.246 3.188 7.592 1.00 0.00 H new ATOM 1064 N ILE A 74 17.872 6.471 7.505 1.00 0.00 N ATOM 1065 CA ILE A 74 16.822 7.403 7.114 1.00 0.00 C ATOM 1066 C ILE A 74 15.717 6.692 6.339 1.00 0.00 C ATOM 1067 O ILE A 74 15.916 6.268 5.201 1.00 0.00 O ATOM 1068 CB ILE A 74 17.379 8.552 6.254 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.475 9.302 7.014 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.262 9.502 5.851 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.209 10.319 6.169 1.00 0.00 C ATOM 0 H ILE A 74 18.331 6.001 6.725 1.00 0.00 H new ATOM 0 HA ILE A 74 16.410 7.817 8.034 1.00 0.00 H new ATOM 0 HB ILE A 74 17.814 8.130 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.031 9.807 7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.193 8.581 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.672 10.309 5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.513 8.959 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.800 9.920 6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.971 10.812 6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.683 9.817 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.503 11.062 5.799 1.00 0.00 H new ATOM 1083 N LYS A 75 14.551 6.567 6.963 1.00 0.00 N ATOM 1084 CA LYS A 75 13.412 5.911 6.332 1.00 0.00 C ATOM 1085 C LYS A 75 12.560 6.918 5.565 1.00 0.00 C ATOM 1086 O LYS A 75 12.125 7.927 6.119 1.00 0.00 O ATOM 1087 CB LYS A 75 12.557 5.202 7.386 1.00 0.00 C ATOM 1088 CG LYS A 75 13.069 3.821 7.755 1.00 0.00 C ATOM 1089 CD LYS A 75 11.964 2.953 8.334 1.00 0.00 C ATOM 1090 CE LYS A 75 12.493 1.597 8.774 1.00 0.00 C ATOM 1091 NZ LYS A 75 11.393 0.677 9.178 1.00 0.00 N ATOM 0 H LYS A 75 14.370 6.912 7.906 1.00 0.00 H new ATOM 0 HA LYS A 75 13.795 5.173 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.518 5.818 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.536 5.115 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.487 3.339 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.878 3.913 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.509 3.461 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.180 2.815 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.062 1.148 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.181 1.729 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.794 -0.236 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.865 1.094 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.750 0.530 8.374 1.00 0.00 H new ATOM 1105 N VAL A 76 12.325 6.635 4.288 1.00 0.00 N ATOM 1106 CA VAL A 76 11.523 7.515 3.445 1.00 0.00 C ATOM 1107 C VAL A 76 10.552 6.715 2.584 1.00 0.00 C ATOM 1108 O VAL A 76 10.788 5.543 2.289 1.00 0.00 O ATOM 1109 CB VAL A 76 12.411 8.379 2.531 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.203 9.386 3.352 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.341 7.501 1.707 1.00 0.00 C ATOM 0 H VAL A 76 12.678 5.804 3.814 1.00 0.00 H new ATOM 0 HA VAL A 76 10.960 8.167 4.113 1.00 0.00 H new ATOM 0 HB VAL A 76 11.768 8.931 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.825 9.987 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.515 10.036 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.837 8.857 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.961 8.128 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.979 6.920 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.750 6.824 1.089 1.00 0.00 H new ATOM 1121 N ASP A 77 9.460 7.356 2.183 1.00 0.00 N ATOM 1122 CA ASP A 77 8.453 6.706 1.353 1.00 0.00 C ATOM 1123 C ASP A 77 9.051 6.257 0.023 1.00 0.00 C ATOM 1124 O ASP A 77 10.137 6.694 -0.359 1.00 0.00 O ATOM 1125 CB ASP A 77 7.278 7.653 1.103 1.00 0.00 C ATOM 1126 CG ASP A 77 6.538 8.006 2.378 1.00 0.00 C ATOM 1127 OD1 ASP A 77 7.146 8.654 3.257 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.352 7.637 2.497 1.00 0.00 O ATOM 0 H ASP A 77 9.250 8.326 2.419 1.00 0.00 H new ATOM 0 HA ASP A 77 8.094 5.825 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.645 8.566 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.585 7.190 0.400 1.00 0.00 H new ATOM 1133 N TYR A 78 8.337 5.381 -0.675 1.00 0.00 N ATOM 1134 CA TYR A 78 8.800 4.870 -1.960 1.00 0.00 C ATOM 1135 C TYR A 78 9.017 6.007 -2.953 1.00 0.00 C ATOM 1136 O TYR A 78 10.067 6.101 -3.588 1.00 0.00 O ATOM 1137 CB TYR A 78 7.792 3.869 -2.527 1.00 0.00 C ATOM 1138 CG TYR A 78 6.378 4.401 -2.587 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.523 4.282 -1.498 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.898 5.025 -3.732 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.230 4.767 -1.549 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.607 5.514 -3.791 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.777 5.382 -2.698 1.00 0.00 C ATOM 1144 OH TYR A 78 2.490 5.867 -2.752 1.00 0.00 O ATOM 0 H TYR A 78 7.436 5.010 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 78 9.753 4.366 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.105 3.580 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.806 2.966 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.875 3.802 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.545 5.130 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.578 4.665 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.250 5.997 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 78 2.205 6.139 -1.855 1.00 0.00 H new ATOM 1154 N LYS A 79 8.016 6.872 -3.081 1.00 0.00 N ATOM 1155 CA LYS A 79 8.095 8.005 -3.994 1.00 0.00 C ATOM 1156 C LYS A 79 9.521 8.540 -4.075 1.00 0.00 C ATOM 1157 O LYS A 79 10.056 8.744 -5.164 1.00 0.00 O ATOM 1158 CB LYS A 79 7.146 9.118 -3.541 1.00 0.00 C ATOM 1159 CG LYS A 79 5.697 8.874 -3.924 1.00 0.00 C ATOM 1160 CD LYS A 79 5.466 9.099 -5.409 1.00 0.00 C ATOM 1161 CE LYS A 79 3.988 9.269 -5.724 1.00 0.00 C ATOM 1162 NZ LYS A 79 3.214 8.030 -5.437 1.00 0.00 N ATOM 0 H LYS A 79 7.140 6.809 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 79 7.797 7.663 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.214 9.224 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.474 10.063 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.418 7.853 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.051 9.538 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.012 9.985 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.864 8.255 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.584 10.094 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.869 9.537 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.197 8.230 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.477 7.291 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.427 7.703 -4.473 1.00 0.00 H new ATOM 1176 N GLN A 80 10.131 8.764 -2.915 1.00 0.00 N ATOM 1177 CA GLN A 80 11.496 9.274 -2.856 1.00 0.00 C ATOM 1178 C GLN A 80 12.418 8.467 -3.763 1.00 0.00 C ATOM 1179 O GLN A 80 12.618 7.270 -3.554 1.00 0.00 O ATOM 1180 CB GLN A 80 12.015 9.238 -1.418 1.00 0.00 C ATOM 1181 CG GLN A 80 11.442 10.336 -0.537 1.00 0.00 C ATOM 1182 CD GLN A 80 11.365 11.674 -1.247 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.328 12.111 -1.877 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.215 12.331 -1.148 1.00 0.00 N ATOM 0 H GLN A 80 9.702 8.600 -2.004 1.00 0.00 H new ATOM 0 HA GLN A 80 11.487 10.307 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.776 8.269 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.102 9.323 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.445 10.047 -0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.058 10.438 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.443 11.930 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.104 13.236 -1.605 1.00 0.00 H new ATOM 1193 N ARG A 81 12.978 9.129 -4.770 1.00 0.00 N ATOM 1194 CA ARG A 81 13.879 8.471 -5.710 1.00 0.00 C ATOM 1195 C ARG A 81 15.314 8.493 -5.193 1.00 0.00 C ATOM 1196 O ARG A 81 16.065 7.534 -5.375 1.00 0.00 O ATOM 1197 CB ARG A 81 13.808 9.152 -7.078 1.00 0.00 C ATOM 1198 CG ARG A 81 14.080 8.212 -8.241 1.00 0.00 C ATOM 1199 CD ARG A 81 15.572 8.050 -8.489 1.00 0.00 C ATOM 1200 NE ARG A 81 15.851 7.051 -9.517 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.686 7.269 -10.817 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.247 8.444 -11.245 1.00 0.00 N ATOM 1203 NH2 ARG A 81 15.962 6.309 -11.691 1.00 0.00 N ATOM 0 H ARG A 81 12.824 10.120 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 81 13.563 7.433 -5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.820 9.595 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.529 9.969 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.636 7.238 -8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.600 8.596 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.995 9.008 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.065 7.762 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 81 16.191 6.136 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.035 9.184 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.121 8.608 -12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.301 5.404 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.835 6.476 -12.689 1.00 0.00 H new ATOM 1217 N TYR A 82 15.689 9.593 -4.549 1.00 0.00 N ATOM 1218 CA TYR A 82 17.035 9.741 -4.008 1.00 0.00 C ATOM 1219 C TYR A 82 17.019 10.570 -2.727 1.00 0.00 C ATOM 1220 O TYR A 82 16.006 11.176 -2.379 1.00 0.00 O ATOM 1221 CB TYR A 82 17.953 10.396 -5.042 1.00 0.00 C ATOM 1222 CG TYR A 82 17.742 11.886 -5.180 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.780 12.395 -6.043 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.506 12.787 -4.447 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.585 13.756 -6.173 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.317 14.150 -4.570 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.356 14.630 -5.434 1.00 0.00 C ATOM 1228 OH TYR A 82 17.163 15.986 -5.560 1.00 0.00 O ATOM 0 H TYR A 82 15.080 10.395 -4.389 1.00 0.00 H new ATOM 0 HA TYR A 82 17.416 8.748 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.990 10.208 -4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.791 9.923 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.174 11.714 -6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.260 12.415 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.833 14.134 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.919 14.836 -3.992 1.00 0.00 H new ATOM 0 HH TYR A 82 17.785 16.461 -4.971 1.00 0.00 H new ATOM 1238 N TYR A 83 18.150 10.591 -2.031 1.00 0.00 N ATOM 1239 CA TYR A 83 18.268 11.343 -0.787 1.00 0.00 C ATOM 1240 C TYR A 83 19.634 12.014 -0.684 1.00 0.00 C ATOM 1241 O TYR A 83 20.670 11.374 -0.871 1.00 0.00 O ATOM 1242 CB TYR A 83 18.047 10.421 0.414 1.00 0.00 C ATOM 1243 CG TYR A 83 17.854 11.162 1.718 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.944 11.617 2.449 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.581 11.407 2.218 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.772 12.294 3.641 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.400 12.084 3.409 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.498 12.525 4.117 1.00 0.00 C ATOM 1249 OH TYR A 83 17.323 13.199 5.303 1.00 0.00 O ATOM 0 H TYR A 83 18.998 10.096 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 83 17.502 12.118 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.173 9.798 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.902 9.751 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.943 11.439 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.719 11.063 1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.630 12.641 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.404 12.267 3.783 1.00 0.00 H new ATOM 0 HH TYR A 83 16.365 13.279 5.495 1.00 0.00 H new ATOM 1259 N THR A 84 19.629 13.309 -0.383 1.00 0.00 N ATOM 1260 CA THR A 84 20.866 14.068 -0.255 1.00 0.00 C ATOM 1261 C THR A 84 21.334 14.115 1.195 1.00 0.00 C ATOM 1262 O THR A 84 20.846 14.919 1.989 1.00 0.00 O ATOM 1263 CB THR A 84 20.698 15.508 -0.775 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.295 15.489 -2.149 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.995 16.290 -0.631 1.00 0.00 C ATOM 0 H THR A 84 18.782 13.854 -0.223 1.00 0.00 H new ATOM 0 HA THR A 84 21.615 13.556 -0.860 1.00 0.00 H new ATOM 0 HB THR A 84 19.929 15.999 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.189 16.408 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.852 17.304 -1.005 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.282 16.328 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.781 15.799 -1.205 1.00 0.00 H new ATOM 1273 N ILE A 85 22.284 13.249 1.534 1.00 0.00 N ATOM 1274 CA ILE A 85 22.819 13.194 2.889 1.00 0.00 C ATOM 1275 C ILE A 85 23.805 14.330 3.137 1.00 0.00 C ATOM 1276 O ILE A 85 24.964 14.258 2.732 1.00 0.00 O ATOM 1277 CB ILE A 85 23.521 11.851 3.162 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.578 10.686 2.855 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.998 11.787 4.605 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.282 9.350 2.753 1.00 0.00 C ATOM 0 H ILE A 85 22.699 12.576 0.889 1.00 0.00 H new ATOM 0 HA ILE A 85 21.972 13.297 3.568 1.00 0.00 H new ATOM 0 HB ILE A 85 24.390 11.772 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.818 10.629 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.059 10.887 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.492 10.832 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.700 12.599 4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 85 23.144 11.884 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.553 8.570 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 85 24.023 9.389 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.778 9.127 3.697 1.00 0.00 H new ATOM 1292 N GLU A 86 23.335 15.378 3.807 1.00 0.00 N ATOM 1293 CA GLU A 86 24.177 16.529 4.111 1.00 0.00 C ATOM 1294 C GLU A 86 24.773 16.414 5.511 1.00 0.00 C ATOM 1295 O GLU A 86 24.467 15.481 6.252 1.00 0.00 O ATOM 1296 CB GLU A 86 23.370 17.824 3.993 1.00 0.00 C ATOM 1297 CG GLU A 86 22.847 18.091 2.592 1.00 0.00 C ATOM 1298 CD GLU A 86 22.091 19.401 2.491 1.00 0.00 C ATOM 1299 OE1 GLU A 86 22.654 20.443 2.888 1.00 0.00 O ATOM 1300 OE2 GLU A 86 20.937 19.386 2.014 1.00 0.00 O ATOM 0 H GLU A 86 22.377 15.453 4.149 1.00 0.00 H new ATOM 0 HA GLU A 86 24.993 16.550 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.528 17.781 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.995 18.661 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.683 18.103 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.192 17.274 2.291 1.00 0.00 H new ATOM 1307 N ASN A 87 25.626 17.369 5.865 1.00 0.00 N ATOM 1308 CA ASN A 87 26.267 17.375 7.175 1.00 0.00 C ATOM 1309 C ASN A 87 27.244 16.211 7.308 1.00 0.00 C ATOM 1310 O ASN A 87 27.229 15.482 8.301 1.00 0.00 O ATOM 1311 CB ASN A 87 25.213 17.299 8.281 1.00 0.00 C ATOM 1312 CG ASN A 87 24.064 18.261 8.052 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.262 19.473 7.961 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.853 17.724 7.958 1.00 0.00 N ATOM 0 H ASN A 87 25.890 18.149 5.263 1.00 0.00 H new ATOM 0 HA ASN A 87 26.824 18.307 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.825 16.282 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.681 17.518 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.041 18.321 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.735 16.714 8.039 1.00 0.00 H new ATOM 1321 N LEU A 88 28.095 16.042 6.301 1.00 0.00 N ATOM 1322 CA LEU A 88 29.081 14.967 6.304 1.00 0.00 C ATOM 1323 C LEU A 88 30.499 15.529 6.284 1.00 0.00 C ATOM 1324 O LEU A 88 30.705 16.711 6.008 1.00 0.00 O ATOM 1325 CB LEU A 88 28.867 14.048 5.100 1.00 0.00 C ATOM 1326 CG LEU A 88 27.486 13.401 4.987 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.233 12.927 3.564 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.357 12.244 5.967 1.00 0.00 C ATOM 0 H LEU A 88 28.122 16.636 5.472 1.00 0.00 H new ATOM 0 HA LEU A 88 28.951 14.391 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 88 29.053 14.622 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.615 13.256 5.135 1.00 0.00 H new ATOM 0 HG LEU A 88 26.734 14.149 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.246 12.469 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.282 13.777 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.990 12.194 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.368 11.796 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.118 11.495 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.493 12.612 6.984 1.00 0.00 H new ATOM 1340 N ASP A 89 31.472 14.674 6.576 1.00 0.00 N ATOM 1341 CA ASP A 89 32.872 15.084 6.588 1.00 0.00 C ATOM 1342 C ASP A 89 33.513 14.868 5.221 1.00 0.00 C ATOM 1343 O ASP A 89 33.506 13.766 4.671 1.00 0.00 O ATOM 1344 CB ASP A 89 33.644 14.306 7.655 1.00 0.00 C ATOM 1345 CG ASP A 89 33.197 14.654 9.062 1.00 0.00 C ATOM 1346 OD1 ASP A 89 33.378 15.820 9.471 1.00 0.00 O ATOM 1347 OD2 ASP A 89 32.666 13.760 9.753 1.00 0.00 O ATOM 0 H ASP A 89 31.318 13.693 6.808 1.00 0.00 H new ATOM 0 HA ASP A 89 32.912 16.147 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.511 13.237 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.709 14.514 7.553 1.00 0.00 H new ATOM 1352 N PRO A 90 34.080 15.945 4.656 1.00 0.00 N ATOM 1353 CA PRO A 90 34.735 15.899 3.346 1.00 0.00 C ATOM 1354 C PRO A 90 36.038 15.107 3.377 1.00 0.00 C ATOM 1355 O PRO A 90 36.774 15.142 4.363 1.00 0.00 O ATOM 1356 CB PRO A 90 35.012 17.372 3.036 1.00 0.00 C ATOM 1357 CG PRO A 90 35.089 18.032 4.370 1.00 0.00 C ATOM 1358 CD PRO A 90 34.126 17.290 5.255 1.00 0.00 C ATOM 0 HA PRO A 90 34.117 15.401 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.942 17.492 2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.219 17.804 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 90 36.102 17.986 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.822 19.086 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.472 17.258 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.143 17.760 5.263 1.00 0.00 H new ATOM 1366 N SER A 91 36.318 14.394 2.290 1.00 0.00 N ATOM 1367 CA SER A 91 37.531 13.591 2.194 1.00 0.00 C ATOM 1368 C SER A 91 37.464 12.392 3.135 1.00 0.00 C ATOM 1369 O SER A 91 38.433 12.077 3.827 1.00 0.00 O ATOM 1370 CB SER A 91 38.759 14.443 2.521 1.00 0.00 C ATOM 1371 OG SER A 91 39.901 13.981 1.821 1.00 0.00 O ATOM 0 H SER A 91 35.721 14.356 1.464 1.00 0.00 H new ATOM 0 HA SER A 91 37.615 13.224 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.564 15.483 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.950 14.415 3.594 1.00 0.00 H new ATOM 0 HG SER A 91 40.672 14.543 2.046 1.00 0.00 H new ATOM 1377 N SER A 92 36.314 11.727 3.155 1.00 0.00 N ATOM 1378 CA SER A 92 36.118 10.564 4.014 1.00 0.00 C ATOM 1379 C SER A 92 35.287 9.499 3.304 1.00 0.00 C ATOM 1380 O SER A 92 34.346 9.813 2.574 1.00 0.00 O ATOM 1381 CB SER A 92 35.433 10.977 5.318 1.00 0.00 C ATOM 1382 OG SER A 92 36.354 11.582 6.209 1.00 0.00 O ATOM 0 H SER A 92 35.504 11.973 2.587 1.00 0.00 H new ATOM 0 HA SER A 92 37.097 10.143 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.622 11.672 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.986 10.102 5.791 1.00 0.00 H new ATOM 0 HG SER A 92 37.198 11.754 5.741 1.00 0.00 H new ATOM 1388 N HIS A 93 35.641 8.237 3.525 1.00 0.00 N ATOM 1389 CA HIS A 93 34.929 7.124 2.908 1.00 0.00 C ATOM 1390 C HIS A 93 33.637 6.822 3.661 1.00 0.00 C ATOM 1391 O HIS A 93 33.628 6.733 4.889 1.00 0.00 O ATOM 1392 CB HIS A 93 35.816 5.879 2.874 1.00 0.00 C ATOM 1393 CG HIS A 93 35.175 4.705 2.200 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.451 3.398 2.542 1.00 0.00 N ATOM 1395 CD2 HIS A 93 34.264 4.647 1.200 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.740 2.587 1.780 1.00 0.00 C ATOM 1397 NE2 HIS A 93 34.011 3.319 0.958 1.00 0.00 N ATOM 0 H HIS A 93 36.417 7.960 4.127 1.00 0.00 H new ATOM 0 HA HIS A 93 34.676 7.408 1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.746 6.120 2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.079 5.602 3.895 1.00 0.00 H new ATOM 0 HD1 HIS A 93 36.102 3.104 3.270 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.819 5.488 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.753 1.508 1.822 1.00 0.00 H new ATOM 1406 N TYR A 94 32.547 6.666 2.917 1.00 0.00 N ATOM 1407 CA TYR A 94 31.249 6.377 3.515 1.00 0.00 C ATOM 1408 C TYR A 94 30.582 5.192 2.823 1.00 0.00 C ATOM 1409 O TYR A 94 30.516 5.132 1.595 1.00 0.00 O ATOM 1410 CB TYR A 94 30.342 7.606 3.434 1.00 0.00 C ATOM 1411 CG TYR A 94 30.586 8.613 4.535 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.512 9.636 4.375 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.889 8.542 5.735 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.739 10.557 5.379 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.108 9.460 6.744 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.035 10.466 6.561 1.00 0.00 C ATOM 1417 OH TYR A 94 31.257 11.383 7.563 1.00 0.00 O ATOM 0 H TYR A 94 32.537 6.735 1.899 1.00 0.00 H new ATOM 0 HA TYR A 94 31.409 6.120 4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.489 8.092 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.302 7.283 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 94 32.064 9.713 3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.163 7.756 5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.464 11.345 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.557 9.391 7.670 1.00 0.00 H new ATOM 0 HH TYR A 94 30.680 11.178 8.328 1.00 0.00 H new ATOM 1427 N VAL A 95 30.088 4.250 3.621 1.00 0.00 N ATOM 1428 CA VAL A 95 29.425 3.067 3.087 1.00 0.00 C ATOM 1429 C VAL A 95 27.909 3.224 3.124 1.00 0.00 C ATOM 1430 O VAL A 95 27.290 3.125 4.184 1.00 0.00 O ATOM 1431 CB VAL A 95 29.818 1.801 3.872 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.083 0.586 3.328 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.324 1.591 3.821 1.00 0.00 C ATOM 0 H VAL A 95 30.135 4.284 4.639 1.00 0.00 H new ATOM 0 HA VAL A 95 29.752 2.960 2.053 1.00 0.00 H new ATOM 0 HB VAL A 95 29.527 1.934 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.373 -0.299 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.008 0.740 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.340 0.445 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.585 0.693 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.641 1.478 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.827 2.452 4.262 1.00 0.00 H new ATOM 1443 N ILE A 96 27.316 3.467 1.960 1.00 0.00 N ATOM 1444 CA ILE A 96 25.872 3.636 1.859 1.00 0.00 C ATOM 1445 C ILE A 96 25.182 2.307 1.567 1.00 0.00 C ATOM 1446 O ILE A 96 25.667 1.506 0.767 1.00 0.00 O ATOM 1447 CB ILE A 96 25.499 4.648 0.760 1.00 0.00 C ATOM 1448 CG1 ILE A 96 26.108 6.017 1.069 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.987 4.752 0.628 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.527 6.174 0.569 1.00 0.00 C ATOM 0 H ILE A 96 27.814 3.551 1.074 1.00 0.00 H new ATOM 0 HA ILE A 96 25.531 4.016 2.822 1.00 0.00 H new ATOM 0 HB ILE A 96 25.904 4.298 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.486 6.792 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 96 26.091 6.178 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.739 5.471 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.577 3.777 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.561 5.083 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.894 7.168 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.163 5.422 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.548 6.045 -0.513 1.00 0.00 H new ATOM 1462 N THR A 97 24.047 2.080 2.219 1.00 0.00 N ATOM 1463 CA THR A 97 23.289 0.849 2.029 1.00 0.00 C ATOM 1464 C THR A 97 21.814 1.144 1.783 1.00 0.00 C ATOM 1465 O THR A 97 21.315 2.212 2.142 1.00 0.00 O ATOM 1466 CB THR A 97 23.418 -0.083 3.248 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.009 0.603 4.436 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.851 -0.572 3.406 1.00 0.00 C ATOM 0 H THR A 97 23.632 2.733 2.884 1.00 0.00 H new ATOM 0 HA THR A 97 23.708 0.351 1.154 1.00 0.00 H new ATOM 0 HB THR A 97 22.772 -0.946 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.093 0.002 5.206 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.918 -1.229 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.149 -1.120 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.514 0.282 3.546 1.00 0.00 H new ATOM 1476 N LEU A 98 21.120 0.192 1.170 1.00 0.00 N ATOM 1477 CA LEU A 98 19.699 0.349 0.877 1.00 0.00 C ATOM 1478 C LEU A 98 18.993 -1.003 0.863 1.00 0.00 C ATOM 1479 O LEU A 98 19.468 -1.957 0.247 1.00 0.00 O ATOM 1480 CB LEU A 98 19.511 1.050 -0.470 1.00 0.00 C ATOM 1481 CG LEU A 98 18.083 1.081 -1.017 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.352 2.323 -0.531 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.093 1.026 -2.537 1.00 0.00 C ATOM 0 H LEU A 98 21.518 -0.697 0.866 1.00 0.00 H new ATOM 0 HA LEU A 98 19.256 0.961 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.865 2.077 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.150 0.559 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 98 17.553 0.204 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.338 2.328 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.313 2.319 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.880 3.213 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.069 1.049 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.640 1.883 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.577 0.106 -2.865 1.00 0.00 H new ATOM 1495 N LYS A 99 17.855 -1.077 1.544 1.00 0.00 N ATOM 1496 CA LYS A 99 17.080 -2.310 1.608 1.00 0.00 C ATOM 1497 C LYS A 99 15.593 -2.029 1.413 1.00 0.00 C ATOM 1498 O LYS A 99 15.032 -1.137 2.049 1.00 0.00 O ATOM 1499 CB LYS A 99 17.306 -3.010 2.950 1.00 0.00 C ATOM 1500 CG LYS A 99 16.910 -2.167 4.150 1.00 0.00 C ATOM 1501 CD LYS A 99 16.828 -3.003 5.416 1.00 0.00 C ATOM 1502 CE LYS A 99 18.202 -3.217 6.033 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.174 -4.249 7.106 1.00 0.00 N ATOM 0 H LYS A 99 17.448 -0.297 2.060 1.00 0.00 H new ATOM 0 HA LYS A 99 17.417 -2.963 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.737 -3.939 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.359 -3.279 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.636 -1.366 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.946 -1.695 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.177 -2.510 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.376 -3.968 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.905 -3.519 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.566 -2.275 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.123 -4.659 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.878 -3.811 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.501 -4.999 6.849 1.00 0.00 H new ATOM 1517 N ALA A 100 14.961 -2.798 0.532 1.00 0.00 N ATOM 1518 CA ALA A 100 13.539 -2.634 0.257 1.00 0.00 C ATOM 1519 C ALA A 100 12.692 -3.401 1.267 1.00 0.00 C ATOM 1520 O ALA A 100 12.860 -4.608 1.443 1.00 0.00 O ATOM 1521 CB ALA A 100 13.219 -3.090 -1.158 1.00 0.00 C ATOM 0 H ALA A 100 15.411 -3.540 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 100 13.296 -1.575 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.154 -2.962 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.790 -2.494 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.484 -4.141 -1.270 1.00 0.00 H new ATOM 1527 N PHE A 101 11.783 -2.693 1.929 1.00 0.00 N ATOM 1528 CA PHE A 101 10.911 -3.308 2.923 1.00 0.00 C ATOM 1529 C PHE A 101 9.465 -2.862 2.728 1.00 0.00 C ATOM 1530 O PHE A 101 9.203 -1.732 2.318 1.00 0.00 O ATOM 1531 CB PHE A 101 11.381 -2.952 4.335 1.00 0.00 C ATOM 1532 CG PHE A 101 11.190 -1.503 4.682 1.00 0.00 C ATOM 1533 CD1 PHE A 101 12.142 -0.561 4.327 1.00 0.00 C ATOM 1534 CD2 PHE A 101 10.059 -1.083 5.364 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.969 0.773 4.646 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.881 0.250 5.685 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.837 1.179 5.325 1.00 0.00 C ATOM 0 H PHE A 101 11.631 -1.693 1.795 1.00 0.00 H new ATOM 0 HA PHE A 101 10.960 -4.389 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.839 -3.565 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.437 -3.205 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 101 13.029 -0.872 3.795 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.308 -1.805 5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.719 1.497 4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.995 0.564 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 101 10.700 2.221 5.574 1.00 0.00 H new ATOM 1547 N ASN A 102 8.530 -3.759 3.026 1.00 0.00 N ATOM 1548 CA ASN A 102 7.110 -3.459 2.882 1.00 0.00 C ATOM 1549 C ASN A 102 6.329 -3.926 4.107 1.00 0.00 C ATOM 1550 O ASN A 102 6.911 -4.387 5.088 1.00 0.00 O ATOM 1551 CB ASN A 102 6.551 -4.125 1.623 1.00 0.00 C ATOM 1552 CG ASN A 102 6.587 -5.639 1.706 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.181 -6.208 2.621 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.949 -6.298 0.745 1.00 0.00 N ATOM 0 H ASN A 102 8.730 -4.699 3.368 1.00 0.00 H new ATOM 0 HA ASN A 102 7.000 -2.378 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.523 -3.797 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.125 -3.797 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.938 -7.318 0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.470 -5.784 0.006 1.00 0.00 H new ATOM 1561 N ASN A 103 5.007 -3.803 4.042 1.00 0.00 N ATOM 1562 CA ASN A 103 4.146 -4.212 5.145 1.00 0.00 C ATOM 1563 C ASN A 103 4.515 -5.610 5.633 1.00 0.00 C ATOM 1564 O ASN A 103 4.253 -5.967 6.782 1.00 0.00 O ATOM 1565 CB ASN A 103 2.679 -4.182 4.713 1.00 0.00 C ATOM 1566 CG ASN A 103 1.811 -5.107 5.544 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.432 -4.777 6.668 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.494 -6.273 4.994 1.00 0.00 N ATOM 0 H ASN A 103 4.509 -3.423 3.237 1.00 0.00 H new ATOM 0 HA ASN A 103 4.291 -3.509 5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.300 -3.163 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.607 -4.466 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.914 -6.937 5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.831 -6.504 4.059 1.00 0.00 H new ATOM 1575 N VAL A 104 5.125 -6.397 4.753 1.00 0.00 N ATOM 1576 CA VAL A 104 5.532 -7.755 5.094 1.00 0.00 C ATOM 1577 C VAL A 104 6.838 -7.756 5.879 1.00 0.00 C ATOM 1578 O VAL A 104 6.941 -8.383 6.933 1.00 0.00 O ATOM 1579 CB VAL A 104 5.702 -8.623 3.833 1.00 0.00 C ATOM 1580 CG1 VAL A 104 5.951 -10.075 4.214 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.482 -8.501 2.934 1.00 0.00 C ATOM 0 H VAL A 104 5.348 -6.117 3.798 1.00 0.00 H new ATOM 0 HA VAL A 104 4.740 -8.177 5.712 1.00 0.00 H new ATOM 0 HB VAL A 104 6.570 -8.263 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.069 -10.673 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.858 -10.143 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.105 -10.450 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.619 -9.121 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.596 -8.833 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.354 -7.461 2.633 1.00 0.00 H new ATOM 1591 N GLY A 105 7.836 -7.048 5.358 1.00 0.00 N ATOM 1592 CA GLY A 105 9.124 -6.981 6.024 1.00 0.00 C ATOM 1593 C GLY A 105 10.205 -6.392 5.138 1.00 0.00 C ATOM 1594 O GLY A 105 9.914 -5.850 4.072 1.00 0.00 O ATOM 0 H GLY A 105 7.776 -6.520 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.031 -6.379 6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.420 -7.982 6.337 1.00 0.00 H new ATOM 1598 N GLU A 106 11.453 -6.498 5.581 1.00 0.00 N ATOM 1599 CA GLU A 106 12.580 -5.969 4.820 1.00 0.00 C ATOM 1600 C GLU A 106 13.404 -7.100 4.211 1.00 0.00 C ATOM 1601 O GLU A 106 13.551 -8.166 4.807 1.00 0.00 O ATOM 1602 CB GLU A 106 13.467 -5.103 5.717 1.00 0.00 C ATOM 1603 CG GLU A 106 13.971 -5.825 6.955 1.00 0.00 C ATOM 1604 CD GLU A 106 15.083 -6.808 6.644 1.00 0.00 C ATOM 1605 OE1 GLU A 106 16.171 -6.361 6.226 1.00 0.00 O ATOM 1606 OE2 GLU A 106 14.865 -8.025 6.821 1.00 0.00 O ATOM 0 H GLU A 106 11.710 -6.944 6.461 1.00 0.00 H new ATOM 0 HA GLU A 106 12.184 -5.355 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.322 -4.752 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.906 -4.220 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.330 -5.092 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.143 -6.356 7.424 1.00 0.00 H new ATOM 1613 N GLY A 107 13.939 -6.858 3.018 1.00 0.00 N ATOM 1614 CA GLY A 107 14.741 -7.865 2.347 1.00 0.00 C ATOM 1615 C GLY A 107 16.215 -7.746 2.676 1.00 0.00 C ATOM 1616 O GLY A 107 16.587 -7.577 3.838 1.00 0.00 O ATOM 0 H GLY A 107 13.832 -5.983 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.387 -8.856 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.604 -7.775 1.269 1.00 0.00 H new ATOM 1620 N ILE A 108 17.058 -7.835 1.653 1.00 0.00 N ATOM 1621 CA ILE A 108 18.500 -7.737 1.840 1.00 0.00 C ATOM 1622 C ILE A 108 19.026 -6.389 1.357 1.00 0.00 C ATOM 1623 O ILE A 108 18.767 -5.960 0.233 1.00 0.00 O ATOM 1624 CB ILE A 108 19.242 -8.862 1.094 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.448 -9.297 -0.139 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.481 -10.044 2.022 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.327 -10.263 0.175 1.00 0.00 C ATOM 0 H ILE A 108 16.767 -7.975 0.685 1.00 0.00 H new ATOM 0 HA ILE A 108 18.687 -7.836 2.909 1.00 0.00 H new ATOM 0 HB ILE A 108 20.209 -8.483 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 108 18.031 -8.414 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 108 19.127 -9.761 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.006 -10.831 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.084 -9.723 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.524 -10.425 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.807 -10.529 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.739 -11.163 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.626 -9.795 0.866 1.00 0.00 H new ATOM 1639 N PRO A 109 19.785 -5.705 2.226 1.00 0.00 N ATOM 1640 CA PRO A 109 20.367 -4.397 1.910 1.00 0.00 C ATOM 1641 C PRO A 109 21.474 -4.492 0.866 1.00 0.00 C ATOM 1642 O PRO A 109 21.879 -5.587 0.473 1.00 0.00 O ATOM 1643 CB PRO A 109 20.935 -3.928 3.252 1.00 0.00 C ATOM 1644 CG PRO A 109 21.199 -5.183 4.010 1.00 0.00 C ATOM 1645 CD PRO A 109 20.135 -6.156 3.583 1.00 0.00 C ATOM 0 HA PRO A 109 19.631 -3.716 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.848 -3.349 3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.228 -3.288 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.194 -5.570 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.157 -5.006 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.505 -7.181 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.274 -6.128 4.250 1.00 0.00 H new ATOM 1653 N LEU A 110 21.960 -3.339 0.420 1.00 0.00 N ATOM 1654 CA LEU A 110 23.022 -3.291 -0.580 1.00 0.00 C ATOM 1655 C LEU A 110 24.271 -2.622 -0.015 1.00 0.00 C ATOM 1656 O LEU A 110 24.202 -1.885 0.969 1.00 0.00 O ATOM 1657 CB LEU A 110 22.545 -2.540 -1.824 1.00 0.00 C ATOM 1658 CG LEU A 110 21.462 -3.233 -2.652 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.840 -2.258 -3.640 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.036 -4.439 -3.380 1.00 0.00 C ATOM 0 H LEU A 110 21.636 -2.425 0.735 1.00 0.00 H new ATOM 0 HA LEU A 110 23.274 -4.315 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.169 -1.565 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.406 -2.359 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 110 20.681 -3.581 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.072 -2.769 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.392 -1.426 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.610 -1.880 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.251 -4.919 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.836 -4.115 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.433 -5.148 -2.653 1.00 0.00 H new ATOM 1672 N TYR A 111 25.411 -2.881 -0.646 1.00 0.00 N ATOM 1673 CA TYR A 111 26.676 -2.304 -0.207 1.00 0.00 C ATOM 1674 C TYR A 111 27.263 -1.396 -1.283 1.00 0.00 C ATOM 1675 O TYR A 111 27.509 -1.829 -2.409 1.00 0.00 O ATOM 1676 CB TYR A 111 27.672 -3.412 0.141 1.00 0.00 C ATOM 1677 CG TYR A 111 27.507 -3.956 1.542 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.279 -4.430 1.985 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.581 -3.996 2.423 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.124 -4.927 3.264 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.435 -4.493 3.704 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.205 -4.956 4.120 1.00 0.00 C ATOM 1683 OH TYR A 111 27.055 -5.452 5.395 1.00 0.00 O ATOM 0 H TYR A 111 25.485 -3.487 -1.463 1.00 0.00 H new ATOM 0 HA TYR A 111 26.484 -1.705 0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.559 -4.228 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.685 -3.027 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.430 -4.410 1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.546 -3.633 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.162 -5.291 3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.280 -4.519 4.376 1.00 0.00 H new ATOM 0 HH TYR A 111 27.912 -5.403 5.868 1.00 0.00 H new ATOM 1693 N GLU A 112 27.485 -0.135 -0.928 1.00 0.00 N ATOM 1694 CA GLU A 112 28.044 0.835 -1.863 1.00 0.00 C ATOM 1695 C GLU A 112 29.288 1.498 -1.280 1.00 0.00 C ATOM 1696 O GLU A 112 29.619 1.303 -0.111 1.00 0.00 O ATOM 1697 CB GLU A 112 27.001 1.899 -2.211 1.00 0.00 C ATOM 1698 CG GLU A 112 26.052 1.481 -3.322 1.00 0.00 C ATOM 1699 CD GLU A 112 25.692 0.009 -3.258 1.00 0.00 C ATOM 1700 OE1 GLU A 112 25.115 -0.418 -2.237 1.00 0.00 O ATOM 1701 OE2 GLU A 112 25.989 -0.716 -4.231 1.00 0.00 O ATOM 0 H GLU A 112 27.287 0.239 -0.000 1.00 0.00 H new ATOM 0 HA GLU A 112 28.329 0.304 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.421 2.133 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.513 2.814 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.141 2.077 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 112 26.510 1.698 -4.287 1.00 0.00 H new ATOM 1708 N SER A 113 29.975 2.282 -2.105 1.00 0.00 N ATOM 1709 CA SER A 113 31.185 2.971 -1.674 1.00 0.00 C ATOM 1710 C SER A 113 31.263 4.367 -2.285 1.00 0.00 C ATOM 1711 O SER A 113 31.015 4.550 -3.476 1.00 0.00 O ATOM 1712 CB SER A 113 32.424 2.162 -2.064 1.00 0.00 C ATOM 1713 OG SER A 113 32.436 1.886 -3.454 1.00 0.00 O ATOM 0 H SER A 113 29.714 2.456 -3.076 1.00 0.00 H new ATOM 0 HA SER A 113 31.150 3.070 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.323 2.714 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.443 1.227 -1.504 1.00 0.00 H new ATOM 0 HG SER A 113 33.238 1.370 -3.678 1.00 0.00 H new ATOM 1719 N ALA A 114 31.609 5.349 -1.459 1.00 0.00 N ATOM 1720 CA ALA A 114 31.721 6.728 -1.917 1.00 0.00 C ATOM 1721 C ALA A 114 32.549 7.563 -0.946 1.00 0.00 C ATOM 1722 O ALA A 114 32.215 7.676 0.234 1.00 0.00 O ATOM 1723 CB ALA A 114 30.339 7.339 -2.095 1.00 0.00 C ATOM 0 H ALA A 114 31.817 5.215 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 114 32.232 6.725 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 114 30.438 8.369 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.779 6.764 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.809 7.322 -1.143 1.00 0.00 H new ATOM 1729 N VAL A 115 33.632 8.147 -1.449 1.00 0.00 N ATOM 1730 CA VAL A 115 34.508 8.972 -0.626 1.00 0.00 C ATOM 1731 C VAL A 115 34.284 10.455 -0.900 1.00 0.00 C ATOM 1732 O VAL A 115 34.703 10.978 -1.933 1.00 0.00 O ATOM 1733 CB VAL A 115 35.991 8.635 -0.872 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.889 9.528 -0.030 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.259 7.166 -0.579 1.00 0.00 C ATOM 0 H VAL A 115 33.924 8.064 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 115 34.261 8.756 0.413 1.00 0.00 H new ATOM 0 HB VAL A 115 36.218 8.820 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.933 9.275 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.715 10.571 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.664 9.379 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.311 6.945 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.015 6.952 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.643 6.547 -1.231 1.00 0.00 H new ATOM 1745 N THR A 116 33.618 11.129 0.033 1.00 0.00 N ATOM 1746 CA THR A 116 33.337 12.552 -0.108 1.00 0.00 C ATOM 1747 C THR A 116 34.571 13.313 -0.577 1.00 0.00 C ATOM 1748 O THR A 116 35.678 13.079 -0.092 1.00 0.00 O ATOM 1749 CB THR A 116 32.846 13.161 1.219 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.745 12.815 2.279 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.446 12.670 1.555 1.00 0.00 C ATOM 0 H THR A 116 33.264 10.712 0.894 1.00 0.00 H new ATOM 0 HA THR A 116 32.550 12.646 -0.856 1.00 0.00 H new ATOM 0 HB THR A 116 32.817 14.245 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.355 13.080 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.121 13.114 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.758 12.960 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.454 11.584 1.649 1.00 0.00 H new ATOM 1759 N ARG A 117 34.374 14.226 -1.523 1.00 0.00 N ATOM 1760 CA ARG A 117 35.472 15.021 -2.058 1.00 0.00 C ATOM 1761 C ARG A 117 36.027 15.966 -0.996 1.00 0.00 C ATOM 1762 O ARG A 117 35.335 16.358 -0.056 1.00 0.00 O ATOM 1763 CB ARG A 117 35.004 15.823 -3.274 1.00 0.00 C ATOM 1764 CG ARG A 117 34.760 14.970 -4.508 1.00 0.00 C ATOM 1765 CD ARG A 117 34.310 15.815 -5.690 1.00 0.00 C ATOM 1766 NE ARG A 117 33.701 15.006 -6.742 1.00 0.00 N ATOM 1767 CZ ARG A 117 33.398 15.474 -7.947 1.00 0.00 C ATOM 1768 NH1 ARG A 117 33.647 16.740 -8.251 1.00 0.00 N ATOM 1769 NH2 ARG A 117 32.845 14.675 -8.851 1.00 0.00 N ATOM 0 H ARG A 117 33.464 14.433 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 117 36.265 14.339 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.085 16.350 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.751 16.581 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.674 14.435 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 117 34.002 14.218 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.595 16.564 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 117 35.166 16.354 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 117 33.497 14.027 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 117 34.072 17.357 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 117 33.413 17.097 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 117 32.652 13.700 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 117 32.613 15.036 -9.776 1.00 0.00 H new ATOM 1783 N PRO A 118 37.306 16.341 -1.147 1.00 0.00 N ATOM 1784 CA PRO A 118 37.983 17.243 -0.211 1.00 0.00 C ATOM 1785 C PRO A 118 37.452 18.670 -0.296 1.00 0.00 C ATOM 1786 O PRO A 118 37.339 19.237 -1.383 1.00 0.00 O ATOM 1787 CB PRO A 118 39.445 17.189 -0.659 1.00 0.00 C ATOM 1788 CG PRO A 118 39.386 16.813 -2.100 1.00 0.00 C ATOM 1789 CD PRO A 118 38.191 15.912 -2.244 1.00 0.00 C ATOM 0 HA PRO A 118 37.830 16.944 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.937 18.152 -0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.009 16.457 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.287 17.697 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.299 16.303 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.713 16.031 -3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.466 14.861 -2.151 1.00 0.00 H new ATOM 1797 N HIS A 119 37.129 19.247 0.857 1.00 0.00 N ATOM 1798 CA HIS A 119 36.611 20.609 0.913 1.00 0.00 C ATOM 1799 C HIS A 119 37.669 21.611 0.460 1.00 0.00 C ATOM 1800 O HIS A 119 38.853 21.461 0.765 1.00 0.00 O ATOM 1801 CB HIS A 119 36.147 20.944 2.331 1.00 0.00 C ATOM 1802 CG HIS A 119 35.041 21.952 2.377 1.00 0.00 C ATOM 1803 ND1 HIS A 119 35.218 23.280 2.048 1.00 0.00 N ATOM 1804 CD2 HIS A 119 33.737 21.821 2.714 1.00 0.00 C ATOM 1805 CE1 HIS A 119 34.071 23.921 2.183 1.00 0.00 C ATOM 1806 NE2 HIS A 119 33.156 23.058 2.585 1.00 0.00 N ATOM 0 H HIS A 119 37.217 18.792 1.766 1.00 0.00 H new ATOM 0 HA HIS A 119 35.759 20.676 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 119 35.814 20.029 2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 119 36.995 21.321 2.902 1.00 0.00 H new ATOM 0 HD1 HIS A 119 36.097 23.701 1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 119 33.245 20.912 3.026 1.00 0.00 H new ATOM 0 HE1 HIS A 119 33.909 24.972 1.996 1.00 0.00 H new ATOM 1815 N THR A 120 37.235 22.634 -0.269 1.00 0.00 N ATOM 1816 CA THR A 120 38.144 23.660 -0.765 1.00 0.00 C ATOM 1817 C THR A 120 37.715 25.047 -0.300 1.00 0.00 C ATOM 1818 O THR A 120 36.618 25.222 0.230 1.00 0.00 O ATOM 1819 CB THR A 120 38.220 23.647 -2.303 1.00 0.00 C ATOM 1820 OG1 THR A 120 36.918 23.859 -2.860 1.00 0.00 O ATOM 1821 CG2 THR A 120 38.783 22.326 -2.806 1.00 0.00 C ATOM 0 H THR A 120 36.259 22.774 -0.529 1.00 0.00 H new ATOM 0 HA THR A 120 39.129 23.433 -0.358 1.00 0.00 H new ATOM 0 HB THR A 120 38.885 24.451 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 120 36.975 23.851 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 120 38.827 22.340 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 120 39.786 22.181 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 120 38.140 21.509 -2.480 1.00 0.00 H new ATOM 1829 N SER A 121 38.586 26.030 -0.503 1.00 0.00 N ATOM 1830 CA SER A 121 38.298 27.401 -0.102 1.00 0.00 C ATOM 1831 C SER A 121 38.542 28.368 -1.256 1.00 0.00 C ATOM 1832 O SER A 121 39.592 28.336 -1.896 1.00 0.00 O ATOM 1833 CB SER A 121 39.160 27.796 1.099 1.00 0.00 C ATOM 1834 OG SER A 121 38.543 27.416 2.317 1.00 0.00 O ATOM 0 H SER A 121 39.497 25.902 -0.943 1.00 0.00 H new ATOM 0 HA SER A 121 37.247 27.457 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 121 40.138 27.322 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 121 39.326 28.873 1.093 1.00 0.00 H new ATOM 0 HG SER A 121 39.114 27.678 3.069 1.00 0.00 H new ATOM 1840 N GLY A 122 37.562 29.228 -1.517 1.00 0.00 N ATOM 1841 CA GLY A 122 37.688 30.193 -2.594 1.00 0.00 C ATOM 1842 C GLY A 122 38.695 31.282 -2.282 1.00 0.00 C ATOM 1843 O GLY A 122 38.549 32.033 -1.317 1.00 0.00 O ATOM 0 H GLY A 122 36.683 29.274 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 122 37.986 29.677 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 122 36.716 30.646 -2.787 1.00 0.00 H new ATOM 1847 N PRO A 123 39.745 31.379 -3.111 1.00 0.00 N ATOM 1848 CA PRO A 123 40.800 32.381 -2.937 1.00 0.00 C ATOM 1849 C PRO A 123 40.312 33.795 -3.234 1.00 0.00 C ATOM 1850 O PRO A 123 39.592 34.022 -4.206 1.00 0.00 O ATOM 1851 CB PRO A 123 41.862 31.958 -3.956 1.00 0.00 C ATOM 1852 CG PRO A 123 41.108 31.209 -5.000 1.00 0.00 C ATOM 1853 CD PRO A 123 39.982 30.518 -4.281 1.00 0.00 C ATOM 0 HA PRO A 123 41.163 32.415 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 123 42.371 32.824 -4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 123 42.627 31.333 -3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 123 40.726 31.884 -5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 123 41.751 30.487 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 123 39.094 30.438 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 123 40.255 29.505 -3.986 1.00 0.00 H new ATOM 1861 N SER A 124 40.707 34.742 -2.389 1.00 0.00 N ATOM 1862 CA SER A 124 40.307 36.134 -2.559 1.00 0.00 C ATOM 1863 C SER A 124 41.179 36.827 -3.601 1.00 0.00 C ATOM 1864 O SER A 124 42.314 36.420 -3.847 1.00 0.00 O ATOM 1865 CB SER A 124 40.396 36.879 -1.226 1.00 0.00 C ATOM 1866 OG SER A 124 39.474 37.954 -1.180 1.00 0.00 O ATOM 0 H SER A 124 41.304 34.571 -1.580 1.00 0.00 H new ATOM 0 HA SER A 124 39.274 36.149 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 124 40.196 36.189 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 124 41.408 37.258 -1.084 1.00 0.00 H new ATOM 0 HG SER A 124 39.549 38.413 -0.317 1.00 0.00 H new ATOM 1872 N SER A 125 40.640 37.878 -4.212 1.00 0.00 N ATOM 1873 CA SER A 125 41.366 38.626 -5.230 1.00 0.00 C ATOM 1874 C SER A 125 42.835 38.778 -4.849 1.00 0.00 C ATOM 1875 O SER A 125 43.727 38.556 -5.667 1.00 0.00 O ATOM 1876 CB SER A 125 40.734 40.006 -5.428 1.00 0.00 C ATOM 1877 OG SER A 125 40.781 40.764 -4.231 1.00 0.00 O ATOM 0 H SER A 125 39.702 38.230 -4.019 1.00 0.00 H new ATOM 0 HA SER A 125 41.307 38.069 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 125 41.258 40.539 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 125 39.699 39.893 -5.750 1.00 0.00 H new ATOM 0 HG SER A 125 40.373 41.642 -4.383 1.00 0.00 H new ATOM 1883 N GLY A 126 43.080 39.158 -3.598 1.00 0.00 N ATOM 1884 CA GLY A 126 44.442 39.333 -3.129 1.00 0.00 C ATOM 1885 C GLY A 126 44.557 39.200 -1.623 1.00 0.00 C ATOM 1886 O GLY A 126 45.027 40.116 -0.947 1.00 0.00 O ATOM 0 H GLY A 126 42.359 39.348 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.085 38.594 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 126 44.805 40.315 -3.433 1.00 0.00 H new TER 1890 GLY A 126