USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -130:sc= -0.763 USER MOD Single : A 8 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.02) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -173:sc= 1.05 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.605 K(o=-0.6,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 47 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.217 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.91 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.45! K(o=-3.4!,f=-1.7) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 171:sc= -1.51 USER MOD Single : A 74 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0703 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.754 12.115 -4.798 1.00 0.00 N ATOM 2 CA GLY A 1 -25.733 12.408 -3.810 1.00 0.00 C ATOM 3 C GLY A 1 -24.528 11.496 -3.933 1.00 0.00 C ATOM 4 O GLY A 1 -24.219 10.738 -3.014 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.556 12.765 -4.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.358 12.235 -5.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.081 11.135 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.413 13.444 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.159 12.309 -2.812 1.00 0.00 H new ATOM 8 N SER A 2 -23.847 11.569 -5.072 1.00 0.00 N ATOM 9 CA SER A 2 -22.672 10.740 -5.314 1.00 0.00 C ATOM 10 C SER A 2 -21.393 11.491 -4.956 1.00 0.00 C ATOM 11 O SER A 2 -21.259 12.681 -5.239 1.00 0.00 O ATOM 12 CB SER A 2 -22.625 10.300 -6.779 1.00 0.00 C ATOM 13 OG SER A 2 -23.478 9.191 -7.006 1.00 0.00 O ATOM 0 H SER A 2 -24.089 12.193 -5.842 1.00 0.00 H new ATOM 0 HA SER A 2 -22.744 9.857 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.923 11.129 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.602 10.038 -7.051 1.00 0.00 H new ATOM 0 HG SER A 2 -23.431 8.930 -7.950 1.00 0.00 H new ATOM 19 N SER A 3 -20.456 10.786 -4.330 1.00 0.00 N ATOM 20 CA SER A 3 -19.189 11.386 -3.928 1.00 0.00 C ATOM 21 C SER A 3 -18.624 12.260 -5.044 1.00 0.00 C ATOM 22 O SER A 3 -18.402 11.794 -6.161 1.00 0.00 O ATOM 23 CB SER A 3 -18.180 10.297 -3.557 1.00 0.00 C ATOM 24 OG SER A 3 -17.064 10.846 -2.878 1.00 0.00 O ATOM 0 H SER A 3 -20.550 9.799 -4.090 1.00 0.00 H new ATOM 0 HA SER A 3 -19.372 12.014 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.662 9.550 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.845 9.785 -4.459 1.00 0.00 H new ATOM 0 HG SER A 3 -16.435 10.130 -2.650 1.00 0.00 H new ATOM 30 N GLY A 4 -18.394 13.532 -4.732 1.00 0.00 N ATOM 31 CA GLY A 4 -17.857 14.452 -5.717 1.00 0.00 C ATOM 32 C GLY A 4 -18.706 15.698 -5.869 1.00 0.00 C ATOM 33 O GLY A 4 -18.741 16.547 -4.978 1.00 0.00 O ATOM 0 H GLY A 4 -18.570 13.941 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.845 14.738 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.783 13.946 -6.680 1.00 0.00 H new ATOM 37 N SER A 5 -19.392 15.811 -7.002 1.00 0.00 N ATOM 38 CA SER A 5 -20.241 16.966 -7.271 1.00 0.00 C ATOM 39 C SER A 5 -21.092 17.310 -6.052 1.00 0.00 C ATOM 40 O SER A 5 -21.077 18.443 -5.571 1.00 0.00 O ATOM 41 CB SER A 5 -21.143 16.693 -8.476 1.00 0.00 C ATOM 42 OG SER A 5 -21.780 17.880 -8.916 1.00 0.00 O ATOM 0 H SER A 5 -19.376 15.116 -7.749 1.00 0.00 H new ATOM 0 HA SER A 5 -19.596 17.816 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.552 16.271 -9.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.895 15.950 -8.210 1.00 0.00 H new ATOM 0 HG SER A 5 -22.349 17.679 -9.688 1.00 0.00 H new ATOM 48 N SER A 6 -21.832 16.323 -5.558 1.00 0.00 N ATOM 49 CA SER A 6 -22.693 16.521 -4.397 1.00 0.00 C ATOM 50 C SER A 6 -21.891 17.040 -3.208 1.00 0.00 C ATOM 51 O SER A 6 -22.182 18.105 -2.665 1.00 0.00 O ATOM 52 CB SER A 6 -23.391 15.212 -4.024 1.00 0.00 C ATOM 53 OG SER A 6 -24.575 15.457 -3.286 1.00 0.00 O ATOM 0 H SER A 6 -21.853 15.379 -5.943 1.00 0.00 H new ATOM 0 HA SER A 6 -23.446 17.265 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.632 14.654 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.715 14.590 -3.437 1.00 0.00 H new ATOM 0 HG SER A 6 -24.578 14.902 -2.478 1.00 0.00 H new ATOM 59 N GLY A 7 -20.876 16.278 -2.808 1.00 0.00 N ATOM 60 CA GLY A 7 -20.047 16.677 -1.686 1.00 0.00 C ATOM 61 C GLY A 7 -18.649 16.095 -1.763 1.00 0.00 C ATOM 62 O GLY A 7 -18.242 15.577 -2.802 1.00 0.00 O ATOM 0 H GLY A 7 -20.614 15.392 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.983 17.765 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.520 16.358 -0.757 1.00 0.00 H new ATOM 66 N ASN A 8 -17.912 16.182 -0.661 1.00 0.00 N ATOM 67 CA ASN A 8 -16.551 15.662 -0.609 1.00 0.00 C ATOM 68 C ASN A 8 -16.020 15.668 0.822 1.00 0.00 C ATOM 69 O ASN A 8 -16.381 16.528 1.625 1.00 0.00 O ATOM 70 CB ASN A 8 -15.631 16.490 -1.509 1.00 0.00 C ATOM 71 CG ASN A 8 -15.939 17.973 -1.442 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.505 18.667 -0.523 1.00 0.00 O ATOM 73 ND2 ASN A 8 -16.692 18.466 -2.419 1.00 0.00 N ATOM 0 H ASN A 8 -18.234 16.608 0.208 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.569 14.633 -0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.594 16.323 -1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.730 16.147 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -16.932 19.457 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -17.030 17.853 -3.161 1.00 0.00 H new ATOM 80 N SER A 9 -15.161 14.703 1.133 1.00 0.00 N ATOM 81 CA SER A 9 -14.582 14.595 2.467 1.00 0.00 C ATOM 82 C SER A 9 -14.150 15.964 2.984 1.00 0.00 C ATOM 83 O SER A 9 -13.289 16.620 2.397 1.00 0.00 O ATOM 84 CB SER A 9 -13.386 13.642 2.452 1.00 0.00 C ATOM 85 OG SER A 9 -12.613 13.775 3.632 1.00 0.00 O ATOM 0 H SER A 9 -14.850 13.984 0.479 1.00 0.00 H new ATOM 0 HA SER A 9 -15.345 14.197 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.737 12.614 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.764 13.848 1.581 1.00 0.00 H new ATOM 0 HG SER A 9 -11.856 13.154 3.599 1.00 0.00 H new ATOM 91 N THR A 10 -14.756 16.390 4.088 1.00 0.00 N ATOM 92 CA THR A 10 -14.436 17.681 4.686 1.00 0.00 C ATOM 93 C THR A 10 -12.997 17.713 5.187 1.00 0.00 C ATOM 94 O THR A 10 -12.737 17.488 6.370 1.00 0.00 O ATOM 95 CB THR A 10 -15.383 18.009 5.855 1.00 0.00 C ATOM 96 OG1 THR A 10 -16.739 18.028 5.396 1.00 0.00 O ATOM 97 CG2 THR A 10 -15.033 19.354 6.474 1.00 0.00 C ATOM 0 H THR A 10 -15.471 15.860 4.586 1.00 0.00 H new ATOM 0 HA THR A 10 -14.562 18.431 3.905 1.00 0.00 H new ATOM 0 HB THR A 10 -15.268 17.236 6.615 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.335 18.236 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.715 19.564 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.010 19.327 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.123 20.136 5.720 1.00 0.00 H new ATOM 105 N TRP A 11 -12.066 17.995 4.283 1.00 0.00 N ATOM 106 CA TRP A 11 -10.652 18.057 4.636 1.00 0.00 C ATOM 107 C TRP A 11 -9.900 19.003 3.705 1.00 0.00 C ATOM 108 O TRP A 11 -9.797 18.754 2.504 1.00 0.00 O ATOM 109 CB TRP A 11 -10.029 16.662 4.577 1.00 0.00 C ATOM 110 CG TRP A 11 -8.534 16.683 4.475 1.00 0.00 C ATOM 111 CD1 TRP A 11 -7.793 16.911 3.351 1.00 0.00 C ATOM 112 CD2 TRP A 11 -7.599 16.464 5.537 1.00 0.00 C ATOM 113 NE1 TRP A 11 -6.453 16.848 3.650 1.00 0.00 N ATOM 114 CE2 TRP A 11 -6.308 16.577 4.985 1.00 0.00 C ATOM 115 CE3 TRP A 11 -7.726 16.187 6.900 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -5.155 16.420 5.750 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -6.581 16.032 7.658 1.00 0.00 C ATOM 118 CH2 TRP A 11 -5.309 16.149 7.082 1.00 0.00 C ATOM 0 H TRP A 11 -12.264 18.184 3.301 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.573 18.439 5.654 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.317 16.105 5.469 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.437 16.126 3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.200 17.111 2.371 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.690 16.981 2.986 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.702 16.096 7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.174 16.509 5.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.668 15.817 8.713 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.433 16.023 7.702 1.00 0.00 H new ATOM 129 N SER A 12 -9.377 20.087 4.267 1.00 0.00 N ATOM 130 CA SER A 12 -8.637 21.072 3.486 1.00 0.00 C ATOM 131 C SER A 12 -7.208 21.211 4.001 1.00 0.00 C ATOM 132 O SER A 12 -6.694 22.319 4.149 1.00 0.00 O ATOM 133 CB SER A 12 -9.343 22.428 3.535 1.00 0.00 C ATOM 134 OG SER A 12 -9.590 22.826 4.873 1.00 0.00 O ATOM 0 H SER A 12 -9.452 20.306 5.260 1.00 0.00 H new ATOM 0 HA SER A 12 -8.600 20.727 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.730 23.179 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.285 22.371 2.989 1.00 0.00 H new ATOM 0 HG SER A 12 -10.040 23.696 4.878 1.00 0.00 H new ATOM 140 N GLY A 13 -6.570 20.076 4.274 1.00 0.00 N ATOM 141 CA GLY A 13 -5.206 20.093 4.770 1.00 0.00 C ATOM 142 C GLY A 13 -4.273 19.245 3.928 1.00 0.00 C ATOM 143 O GLY A 13 -4.654 18.765 2.861 1.00 0.00 O ATOM 0 H GLY A 13 -6.973 19.146 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.842 21.120 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.192 19.732 5.798 1.00 0.00 H new ATOM 147 N GLU A 14 -3.047 19.062 4.408 1.00 0.00 N ATOM 148 CA GLU A 14 -2.057 18.268 3.690 1.00 0.00 C ATOM 149 C GLU A 14 -1.494 17.165 4.581 1.00 0.00 C ATOM 150 O GLU A 14 -0.852 17.438 5.596 1.00 0.00 O ATOM 151 CB GLU A 14 -0.921 19.162 3.187 1.00 0.00 C ATOM 152 CG GLU A 14 -0.142 19.841 4.301 1.00 0.00 C ATOM 153 CD GLU A 14 0.456 21.166 3.871 1.00 0.00 C ATOM 154 OE1 GLU A 14 -0.283 21.992 3.296 1.00 0.00 O ATOM 155 OE2 GLU A 14 1.663 21.377 4.111 1.00 0.00 O ATOM 0 H GLU A 14 -2.716 19.452 5.290 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.551 17.805 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.235 18.562 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.335 19.925 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.802 20.004 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.656 19.179 4.637 1.00 0.00 H new ATOM 162 N SER A 15 -1.739 15.917 4.195 1.00 0.00 N ATOM 163 CA SER A 15 -1.261 14.772 4.961 1.00 0.00 C ATOM 164 C SER A 15 -0.416 13.849 4.088 1.00 0.00 C ATOM 165 O SER A 15 -0.903 13.283 3.109 1.00 0.00 O ATOM 166 CB SER A 15 -2.441 13.996 5.549 1.00 0.00 C ATOM 167 OG SER A 15 -2.773 14.475 6.841 1.00 0.00 O ATOM 0 H SER A 15 -2.266 15.673 3.356 1.00 0.00 H new ATOM 0 HA SER A 15 -0.639 15.145 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.305 14.088 4.891 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.193 12.936 5.603 1.00 0.00 H new ATOM 0 HG SER A 15 -3.449 13.890 7.243 1.00 0.00 H new ATOM 173 N LYS A 16 0.854 13.702 4.449 1.00 0.00 N ATOM 174 CA LYS A 16 1.769 12.848 3.701 1.00 0.00 C ATOM 175 C LYS A 16 1.675 11.402 4.177 1.00 0.00 C ATOM 176 O LYS A 16 2.161 10.486 3.513 1.00 0.00 O ATOM 177 CB LYS A 16 3.206 13.352 3.850 1.00 0.00 C ATOM 178 CG LYS A 16 3.950 12.734 5.021 1.00 0.00 C ATOM 179 CD LYS A 16 3.302 13.096 6.347 1.00 0.00 C ATOM 180 CE LYS A 16 3.600 14.535 6.738 1.00 0.00 C ATOM 181 NZ LYS A 16 4.951 14.676 7.347 1.00 0.00 N ATOM 0 H LYS A 16 1.274 14.164 5.256 1.00 0.00 H new ATOM 0 HA LYS A 16 1.484 12.886 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.753 13.141 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.191 14.435 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.970 11.650 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.985 13.075 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.224 12.953 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.663 12.424 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.531 15.173 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.846 14.883 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.116 15.671 7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.009 14.087 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.673 14.368 6.665 1.00 0.00 H new ATOM 195 N THR A 17 1.044 11.203 5.330 1.00 0.00 N ATOM 196 CA THR A 17 0.885 9.868 5.894 1.00 0.00 C ATOM 197 C THR A 17 -0.465 9.270 5.518 1.00 0.00 C ATOM 198 O THR A 17 -1.511 9.884 5.738 1.00 0.00 O ATOM 199 CB THR A 17 1.017 9.888 7.428 1.00 0.00 C ATOM 200 OG1 THR A 17 2.272 10.466 7.805 1.00 0.00 O ATOM 201 CG2 THR A 17 0.909 8.481 7.999 1.00 0.00 C ATOM 0 H THR A 17 0.635 11.950 5.892 1.00 0.00 H new ATOM 0 HA THR A 17 1.681 9.251 5.477 1.00 0.00 H new ATOM 0 HB THR A 17 0.204 10.491 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.347 10.476 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.005 8.520 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.059 8.055 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.703 7.859 7.587 1.00 0.00 H new ATOM 209 N LEU A 18 -0.438 8.069 4.952 1.00 0.00 N ATOM 210 CA LEU A 18 -1.662 7.386 4.546 1.00 0.00 C ATOM 211 C LEU A 18 -1.992 6.245 5.504 1.00 0.00 C ATOM 212 O LEU A 18 -1.117 5.468 5.886 1.00 0.00 O ATOM 213 CB LEU A 18 -1.520 6.846 3.122 1.00 0.00 C ATOM 214 CG LEU A 18 -0.900 7.801 2.101 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.724 7.107 0.759 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.756 9.050 1.950 1.00 0.00 C ATOM 0 H LEU A 18 0.418 7.547 4.763 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.478 8.108 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.915 5.940 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.508 6.555 2.765 1.00 0.00 H new ATOM 0 HG LEU A 18 0.083 8.101 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.282 7.802 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.069 6.244 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.695 6.777 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.299 9.718 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.753 8.769 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.830 9.559 2.911 1.00 0.00 H new ATOM 228 N VAL A 19 -3.261 6.150 5.887 1.00 0.00 N ATOM 229 CA VAL A 19 -3.708 5.102 6.797 1.00 0.00 C ATOM 230 C VAL A 19 -4.371 3.959 6.037 1.00 0.00 C ATOM 231 O VAL A 19 -5.394 4.148 5.377 1.00 0.00 O ATOM 232 CB VAL A 19 -4.698 5.651 7.842 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.893 4.650 8.970 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.215 6.989 8.382 1.00 0.00 C ATOM 0 H VAL A 19 -3.998 6.786 5.581 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.821 4.728 7.308 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.662 5.808 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.595 5.055 9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.287 3.718 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.936 4.459 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.926 7.362 9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.240 6.861 8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.133 7.704 7.563 1.00 0.00 H new ATOM 244 N LEU A 20 -3.782 2.772 6.132 1.00 0.00 N ATOM 245 CA LEU A 20 -4.315 1.597 5.453 1.00 0.00 C ATOM 246 C LEU A 20 -5.279 0.835 6.358 1.00 0.00 C ATOM 247 O LEU A 20 -5.041 0.699 7.559 1.00 0.00 O ATOM 248 CB LEU A 20 -3.175 0.676 5.014 1.00 0.00 C ATOM 249 CG LEU A 20 -3.522 -0.356 3.941 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.287 -0.720 3.131 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.132 -1.599 4.573 1.00 0.00 C ATOM 0 H LEU A 20 -2.935 2.598 6.673 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.862 1.934 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.357 1.294 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.803 0.147 5.892 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.258 0.083 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.553 -1.456 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.893 0.174 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.529 -1.139 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.373 -2.322 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.419 -2.040 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.042 -1.326 5.108 1.00 0.00 H new ATOM 263 N SER A 21 -6.365 0.340 5.774 1.00 0.00 N ATOM 264 CA SER A 21 -7.365 -0.406 6.528 1.00 0.00 C ATOM 265 C SER A 21 -7.768 -1.677 5.786 1.00 0.00 C ATOM 266 O SER A 21 -7.850 -1.692 4.559 1.00 0.00 O ATOM 267 CB SER A 21 -8.598 0.463 6.781 1.00 0.00 C ATOM 268 OG SER A 21 -8.242 1.681 7.413 1.00 0.00 O ATOM 0 H SER A 21 -6.575 0.442 4.781 1.00 0.00 H new ATOM 0 HA SER A 21 -6.926 -0.688 7.485 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.099 0.673 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.308 -0.080 7.405 1.00 0.00 H new ATOM 0 HG SER A 21 -9.047 2.219 7.563 1.00 0.00 H new ATOM 274 N ASN A 22 -8.019 -2.741 6.541 1.00 0.00 N ATOM 275 CA ASN A 22 -8.414 -4.018 5.956 1.00 0.00 C ATOM 276 C ASN A 22 -7.218 -4.715 5.315 1.00 0.00 C ATOM 277 O ASN A 22 -7.292 -5.179 4.177 1.00 0.00 O ATOM 278 CB ASN A 22 -9.514 -3.807 4.914 1.00 0.00 C ATOM 279 CG ASN A 22 -10.268 -5.085 4.603 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.278 -5.392 5.236 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.780 -5.836 3.623 1.00 0.00 N ATOM 0 H ASN A 22 -7.956 -2.745 7.559 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.797 -4.653 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.214 -3.054 5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.072 -3.417 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.245 -6.707 3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.940 -5.542 3.125 1.00 0.00 H new ATOM 288 N LEU A 23 -6.116 -4.786 6.054 1.00 0.00 N ATOM 289 CA LEU A 23 -4.903 -5.428 5.559 1.00 0.00 C ATOM 290 C LEU A 23 -4.881 -6.908 5.926 1.00 0.00 C ATOM 291 O LEU A 23 -5.090 -7.275 7.082 1.00 0.00 O ATOM 292 CB LEU A 23 -3.665 -4.732 6.129 1.00 0.00 C ATOM 293 CG LEU A 23 -2.386 -4.854 5.300 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.246 -4.096 5.963 1.00 0.00 C ATOM 295 CD2 LEU A 23 -2.014 -6.316 5.105 1.00 0.00 C ATOM 0 H LEU A 23 -6.037 -4.407 6.998 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.894 -5.342 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.893 -3.674 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.470 -5.136 7.122 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.568 -4.412 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.344 -4.194 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.512 -3.042 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.064 -4.508 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.101 -6.383 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.851 -6.783 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.822 -6.831 4.586 1.00 0.00 H new ATOM 307 N SER A 24 -4.626 -7.755 4.934 1.00 0.00 N ATOM 308 CA SER A 24 -4.578 -9.196 5.151 1.00 0.00 C ATOM 309 C SER A 24 -3.274 -9.600 5.833 1.00 0.00 C ATOM 310 O SER A 24 -2.205 -9.084 5.507 1.00 0.00 O ATOM 311 CB SER A 24 -4.723 -9.939 3.822 1.00 0.00 C ATOM 312 OG SER A 24 -5.067 -11.298 4.032 1.00 0.00 O ATOM 0 H SER A 24 -4.449 -7.468 3.971 1.00 0.00 H new ATOM 0 HA SER A 24 -5.408 -9.468 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.488 -9.457 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.788 -9.879 3.265 1.00 0.00 H new ATOM 0 HG SER A 24 -5.155 -11.750 3.167 1.00 0.00 H new ATOM 318 N TYR A 25 -3.372 -10.526 6.780 1.00 0.00 N ATOM 319 CA TYR A 25 -2.201 -10.998 7.510 1.00 0.00 C ATOM 320 C TYR A 25 -1.133 -11.514 6.551 1.00 0.00 C ATOM 321 O TYR A 25 0.061 -11.464 6.849 1.00 0.00 O ATOM 322 CB TYR A 25 -2.598 -12.103 8.491 1.00 0.00 C ATOM 323 CG TYR A 25 -3.983 -11.929 9.071 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.216 -11.033 10.107 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.059 -12.661 8.584 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.480 -10.871 10.641 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.326 -12.504 9.111 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.532 -11.608 10.139 1.00 0.00 C ATOM 329 OH TYR A 25 -7.793 -11.450 10.668 1.00 0.00 O ATOM 0 H TYR A 25 -4.249 -10.965 7.060 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.788 -10.157 8.067 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.545 -13.065 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.873 -12.132 9.305 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.395 -10.453 10.502 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.902 -13.365 7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.643 -10.171 11.447 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.152 -13.080 8.720 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.420 -12.042 10.202 1.00 0.00 H new ATOM 339 N SER A 26 -1.570 -12.008 5.398 1.00 0.00 N ATOM 340 CA SER A 26 -0.653 -12.536 4.395 1.00 0.00 C ATOM 341 C SER A 26 0.139 -11.411 3.737 1.00 0.00 C ATOM 342 O SER A 26 1.174 -11.646 3.115 1.00 0.00 O ATOM 343 CB SER A 26 -1.423 -13.323 3.332 1.00 0.00 C ATOM 344 OG SER A 26 -1.601 -14.673 3.726 1.00 0.00 O ATOM 0 H SER A 26 -2.554 -12.054 5.135 1.00 0.00 H new ATOM 0 HA SER A 26 0.047 -13.205 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.395 -12.859 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.884 -13.285 2.385 1.00 0.00 H new ATOM 0 HG SER A 26 -2.097 -15.154 3.031 1.00 0.00 H new ATOM 350 N ALA A 27 -0.357 -10.186 3.878 1.00 0.00 N ATOM 351 CA ALA A 27 0.303 -9.023 3.299 1.00 0.00 C ATOM 352 C ALA A 27 1.235 -8.361 4.310 1.00 0.00 C ATOM 353 O ALA A 27 0.874 -8.171 5.472 1.00 0.00 O ATOM 354 CB ALA A 27 -0.729 -8.024 2.799 1.00 0.00 C ATOM 0 H ALA A 27 -1.214 -9.974 4.389 1.00 0.00 H new ATOM 0 HA ALA A 27 0.904 -9.361 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.221 -7.161 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.352 -8.494 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.355 -7.700 3.631 1.00 0.00 H new ATOM 360 N THR A 28 2.437 -8.014 3.860 1.00 0.00 N ATOM 361 CA THR A 28 3.421 -7.376 4.725 1.00 0.00 C ATOM 362 C THR A 28 4.084 -6.194 4.026 1.00 0.00 C ATOM 363 O THR A 28 3.810 -5.919 2.858 1.00 0.00 O ATOM 364 CB THR A 28 4.510 -8.372 5.168 1.00 0.00 C ATOM 365 OG1 THR A 28 5.420 -8.614 4.089 1.00 0.00 O ATOM 366 CG2 THR A 28 3.890 -9.685 5.620 1.00 0.00 C ATOM 0 H THR A 28 2.752 -8.164 2.902 1.00 0.00 H new ATOM 0 HA THR A 28 2.884 -7.020 5.605 1.00 0.00 H new ATOM 0 HB THR A 28 5.051 -7.936 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.110 -9.247 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.678 -10.372 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.220 -9.501 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.327 -10.124 4.796 1.00 0.00 H new ATOM 374 N GLU A 29 4.957 -5.499 4.748 1.00 0.00 N ATOM 375 CA GLU A 29 5.658 -4.346 4.195 1.00 0.00 C ATOM 376 C GLU A 29 6.172 -4.645 2.790 1.00 0.00 C ATOM 377 O GLU A 29 6.334 -3.739 1.972 1.00 0.00 O ATOM 378 CB GLU A 29 6.824 -3.947 5.102 1.00 0.00 C ATOM 379 CG GLU A 29 6.435 -2.971 6.199 1.00 0.00 C ATOM 380 CD GLU A 29 7.313 -3.095 7.430 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.391 -2.465 7.455 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.922 -3.822 8.366 1.00 0.00 O ATOM 0 H GLU A 29 5.196 -5.714 5.716 1.00 0.00 H new ATOM 0 HA GLU A 29 4.952 -3.517 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.243 -4.844 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.611 -3.502 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.498 -1.953 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.396 -3.142 6.480 1.00 0.00 H new ATOM 389 N GLU A 30 6.428 -5.921 2.518 1.00 0.00 N ATOM 390 CA GLU A 30 6.925 -6.338 1.212 1.00 0.00 C ATOM 391 C GLU A 30 5.875 -6.104 0.130 1.00 0.00 C ATOM 392 O GLU A 30 6.187 -5.630 -0.963 1.00 0.00 O ATOM 393 CB GLU A 30 7.322 -7.816 1.241 1.00 0.00 C ATOM 394 CG GLU A 30 8.769 -8.049 1.643 1.00 0.00 C ATOM 395 CD GLU A 30 9.206 -9.487 1.442 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.559 -9.844 0.298 1.00 0.00 O ATOM 397 OE2 GLU A 30 9.195 -10.254 2.427 1.00 0.00 O ATOM 0 H GLU A 30 6.300 -6.683 3.184 1.00 0.00 H new ATOM 0 HA GLU A 30 7.804 -5.737 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.671 -8.345 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.153 -8.248 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.414 -7.392 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.900 -7.777 2.690 1.00 0.00 H new ATOM 404 N THR A 31 4.627 -6.441 0.442 1.00 0.00 N ATOM 405 CA THR A 31 3.530 -6.270 -0.503 1.00 0.00 C ATOM 406 C THR A 31 3.180 -4.797 -0.678 1.00 0.00 C ATOM 407 O THR A 31 2.828 -4.358 -1.774 1.00 0.00 O ATOM 408 CB THR A 31 2.273 -7.035 -0.048 1.00 0.00 C ATOM 409 OG1 THR A 31 2.615 -8.382 0.294 1.00 0.00 O ATOM 410 CG2 THR A 31 1.216 -7.037 -1.142 1.00 0.00 C ATOM 0 H THR A 31 4.351 -6.834 1.342 1.00 0.00 H new ATOM 0 HA THR A 31 3.868 -6.676 -1.457 1.00 0.00 H new ATOM 0 HB THR A 31 1.866 -6.531 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.796 -8.903 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.337 -7.583 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.936 -6.011 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.616 -7.519 -2.034 1.00 0.00 H new ATOM 418 N LEU A 32 3.280 -4.037 0.407 1.00 0.00 N ATOM 419 CA LEU A 32 2.974 -2.611 0.373 1.00 0.00 C ATOM 420 C LEU A 32 4.039 -1.844 -0.405 1.00 0.00 C ATOM 421 O LEU A 32 3.733 -0.882 -1.109 1.00 0.00 O ATOM 422 CB LEU A 32 2.868 -2.058 1.795 1.00 0.00 C ATOM 423 CG LEU A 32 1.946 -2.823 2.746 1.00 0.00 C ATOM 424 CD1 LEU A 32 1.965 -2.192 4.129 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.528 -2.864 2.195 1.00 0.00 C ATOM 0 H LEU A 32 3.571 -4.384 1.321 1.00 0.00 H new ATOM 0 HA LEU A 32 2.017 -2.482 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.867 -2.035 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.522 -1.026 1.737 1.00 0.00 H new ATOM 0 HG LEU A 32 2.311 -3.847 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.303 -2.749 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.980 -2.215 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.625 -1.159 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.114 -3.412 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.153 -1.847 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.529 -3.362 1.226 1.00 0.00 H new ATOM 437 N GLN A 33 5.288 -2.279 -0.275 1.00 0.00 N ATOM 438 CA GLN A 33 6.397 -1.634 -0.967 1.00 0.00 C ATOM 439 C GLN A 33 6.225 -1.731 -2.480 1.00 0.00 C ATOM 440 O GLN A 33 6.759 -0.913 -3.228 1.00 0.00 O ATOM 441 CB GLN A 33 7.724 -2.270 -0.552 1.00 0.00 C ATOM 442 CG GLN A 33 8.331 -1.652 0.698 1.00 0.00 C ATOM 443 CD GLN A 33 9.254 -0.491 0.386 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.475 -0.608 0.492 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.674 0.639 -0.003 1.00 0.00 N ATOM 0 H GLN A 33 5.557 -3.075 0.303 1.00 0.00 H new ATOM 0 HA GLN A 33 6.403 -0.581 -0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.569 -3.335 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.434 -2.178 -1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.531 -1.309 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.886 -2.416 1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.658 0.692 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.245 1.454 -0.228 1.00 0.00 H new ATOM 454 N GLU A 34 5.475 -2.736 -2.922 1.00 0.00 N ATOM 455 CA GLU A 34 5.234 -2.939 -4.345 1.00 0.00 C ATOM 456 C GLU A 34 4.109 -2.036 -4.841 1.00 0.00 C ATOM 457 O GLU A 34 4.155 -1.525 -5.960 1.00 0.00 O ATOM 458 CB GLU A 34 4.888 -4.404 -4.623 1.00 0.00 C ATOM 459 CG GLU A 34 5.986 -5.375 -4.224 1.00 0.00 C ATOM 460 CD GLU A 34 7.136 -5.393 -5.213 1.00 0.00 C ATOM 461 OE1 GLU A 34 6.938 -5.889 -6.342 1.00 0.00 O ATOM 462 OE2 GLU A 34 8.232 -4.913 -4.859 1.00 0.00 O ATOM 0 H GLU A 34 5.025 -3.421 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 34 6.147 -2.681 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.975 -4.661 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.678 -4.523 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.364 -5.105 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.567 -6.378 -4.141 1.00 0.00 H new ATOM 469 N VAL A 35 3.097 -1.845 -4.000 1.00 0.00 N ATOM 470 CA VAL A 35 1.959 -1.004 -4.351 1.00 0.00 C ATOM 471 C VAL A 35 2.325 0.474 -4.279 1.00 0.00 C ATOM 472 O VAL A 35 1.936 1.264 -5.139 1.00 0.00 O ATOM 473 CB VAL A 35 0.758 -1.270 -3.424 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.396 -0.340 -3.766 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.326 -2.726 -3.518 1.00 0.00 C ATOM 0 H VAL A 35 3.042 -2.262 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 35 1.682 -1.257 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 35 1.062 -1.070 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.236 -0.542 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.077 0.695 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.703 -0.506 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.524 -2.897 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.039 -2.955 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.153 -3.371 -3.220 1.00 0.00 H new ATOM 485 N PHE A 36 3.077 0.842 -3.247 1.00 0.00 N ATOM 486 CA PHE A 36 3.496 2.226 -3.061 1.00 0.00 C ATOM 487 C PHE A 36 4.988 2.385 -3.342 1.00 0.00 C ATOM 488 O PHE A 36 5.827 2.025 -2.516 1.00 0.00 O ATOM 489 CB PHE A 36 3.182 2.690 -1.637 1.00 0.00 C ATOM 490 CG PHE A 36 1.738 2.525 -1.258 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.816 3.520 -1.541 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.302 1.375 -0.620 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.514 3.370 -1.192 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.026 1.220 -0.270 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.935 2.218 -0.557 1.00 0.00 C ATOM 0 H PHE A 36 3.409 0.201 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 36 2.943 2.845 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.800 2.129 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.458 3.740 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.139 4.422 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.008 0.590 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.223 4.153 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.352 0.319 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.973 2.098 -0.286 1.00 0.00 H new ATOM 505 N GLU A 37 5.309 2.926 -4.513 1.00 0.00 N ATOM 506 CA GLU A 37 6.699 3.131 -4.903 1.00 0.00 C ATOM 507 C GLU A 37 7.238 4.437 -4.328 1.00 0.00 C ATOM 508 O GLU A 37 8.430 4.558 -4.042 1.00 0.00 O ATOM 509 CB GLU A 37 6.828 3.141 -6.428 1.00 0.00 C ATOM 510 CG GLU A 37 6.631 1.775 -7.064 1.00 0.00 C ATOM 511 CD GLU A 37 7.084 1.735 -8.511 1.00 0.00 C ATOM 512 OE1 GLU A 37 6.607 2.572 -9.305 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.915 0.866 -8.848 1.00 0.00 O ATOM 0 H GLU A 37 4.626 3.230 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 37 7.288 2.306 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.096 3.834 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.814 3.520 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.184 1.029 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.577 1.501 -7.009 1.00 0.00 H new ATOM 520 N LYS A 38 6.353 5.414 -4.161 1.00 0.00 N ATOM 521 CA LYS A 38 6.737 6.712 -3.620 1.00 0.00 C ATOM 522 C LYS A 38 6.801 6.669 -2.097 1.00 0.00 C ATOM 523 O LYS A 38 7.395 7.543 -1.466 1.00 0.00 O ATOM 524 CB LYS A 38 5.747 7.789 -4.069 1.00 0.00 C ATOM 525 CG LYS A 38 5.565 7.858 -5.576 1.00 0.00 C ATOM 526 CD LYS A 38 6.559 8.814 -6.214 1.00 0.00 C ATOM 527 CE LYS A 38 6.064 9.314 -7.562 1.00 0.00 C ATOM 528 NZ LYS A 38 7.039 10.241 -8.201 1.00 0.00 N ATOM 0 H LYS A 38 5.363 5.331 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 38 7.728 6.957 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.780 7.599 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.090 8.759 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.689 6.863 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.550 8.180 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.728 9.662 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.518 8.312 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.885 8.465 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.109 9.824 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.665 10.560 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.191 11.064 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.942 9.747 -8.348 1.00 0.00 H new ATOM 542 N ALA A 39 6.187 5.646 -1.512 1.00 0.00 N ATOM 543 CA ALA A 39 6.178 5.487 -0.063 1.00 0.00 C ATOM 544 C ALA A 39 7.592 5.541 0.504 1.00 0.00 C ATOM 545 O ALA A 39 8.355 4.581 0.392 1.00 0.00 O ATOM 546 CB ALA A 39 5.503 4.179 0.320 1.00 0.00 C ATOM 0 H ALA A 39 5.689 4.915 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 39 5.612 6.314 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.503 4.073 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.476 4.179 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.046 3.345 -0.126 1.00 0.00 H new ATOM 552 N THR A 40 7.937 6.671 1.115 1.00 0.00 N ATOM 553 CA THR A 40 9.261 6.851 1.698 1.00 0.00 C ATOM 554 C THR A 40 9.462 5.932 2.898 1.00 0.00 C ATOM 555 O THR A 40 10.593 5.663 3.304 1.00 0.00 O ATOM 556 CB THR A 40 9.487 8.309 2.138 1.00 0.00 C ATOM 557 OG1 THR A 40 8.607 8.637 3.218 1.00 0.00 O ATOM 558 CG2 THR A 40 9.255 9.266 0.979 1.00 0.00 C ATOM 0 H THR A 40 7.318 7.475 1.219 1.00 0.00 H new ATOM 0 HA THR A 40 9.985 6.597 0.924 1.00 0.00 H new ATOM 0 HB THR A 40 10.521 8.409 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.758 9.565 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.421 10.290 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.947 9.032 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.231 9.162 0.621 1.00 0.00 H new ATOM 566 N PHE A 41 8.358 5.454 3.462 1.00 0.00 N ATOM 567 CA PHE A 41 8.414 4.565 4.617 1.00 0.00 C ATOM 568 C PHE A 41 7.081 3.850 4.818 1.00 0.00 C ATOM 569 O PHE A 41 6.018 4.468 4.754 1.00 0.00 O ATOM 570 CB PHE A 41 8.778 5.354 5.877 1.00 0.00 C ATOM 571 CG PHE A 41 9.229 4.487 7.018 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.551 4.084 7.118 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.332 4.075 7.990 1.00 0.00 C ATOM 574 CE1 PHE A 41 10.969 3.286 8.166 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.744 3.277 9.040 1.00 0.00 C ATOM 576 CZ PHE A 41 10.065 2.882 9.129 1.00 0.00 C ATOM 0 H PHE A 41 7.414 5.667 3.139 1.00 0.00 H new ATOM 0 HA PHE A 41 9.183 3.816 4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.569 6.064 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.913 5.937 6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.263 4.397 6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.298 4.381 7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.002 2.978 8.232 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.034 2.962 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.390 2.259 9.949 1.00 0.00 H new ATOM 586 N ILE A 42 7.147 2.545 5.061 1.00 0.00 N ATOM 587 CA ILE A 42 5.946 1.746 5.271 1.00 0.00 C ATOM 588 C ILE A 42 6.014 0.991 6.594 1.00 0.00 C ATOM 589 O ILE A 42 7.022 0.360 6.911 1.00 0.00 O ATOM 590 CB ILE A 42 5.733 0.737 4.127 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.546 1.472 2.798 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.534 -0.152 4.421 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.256 0.551 1.634 1.00 0.00 C ATOM 0 H ILE A 42 8.019 2.019 5.117 1.00 0.00 H new ATOM 0 HA ILE A 42 5.105 2.439 5.293 1.00 0.00 H new ATOM 0 HB ILE A 42 6.618 0.105 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.728 2.186 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.446 2.047 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.397 -0.860 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.705 -0.698 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.640 0.464 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.135 1.140 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.084 -0.146 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.340 -0.006 1.830 1.00 0.00 H new ATOM 605 N LYS A 43 4.932 1.058 7.363 1.00 0.00 N ATOM 606 CA LYS A 43 4.865 0.379 8.652 1.00 0.00 C ATOM 607 C LYS A 43 3.605 -0.475 8.752 1.00 0.00 C ATOM 608 O LYS A 43 2.503 -0.009 8.462 1.00 0.00 O ATOM 609 CB LYS A 43 4.895 1.399 9.792 1.00 0.00 C ATOM 610 CG LYS A 43 5.331 0.812 11.123 1.00 0.00 C ATOM 611 CD LYS A 43 6.844 0.815 11.264 1.00 0.00 C ATOM 612 CE LYS A 43 7.283 0.169 12.569 1.00 0.00 C ATOM 613 NZ LYS A 43 7.365 1.159 13.679 1.00 0.00 N ATOM 0 H LYS A 43 4.089 1.576 7.116 1.00 0.00 H new ATOM 0 HA LYS A 43 5.733 -0.275 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.571 2.211 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.902 1.835 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.888 1.385 11.937 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.958 -0.208 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.290 0.281 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.212 1.840 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.581 -0.620 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.256 -0.303 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.667 0.679 14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.054 1.899 13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.431 1.591 13.828 1.00 0.00 H new ATOM 627 N VAL A 44 3.775 -1.727 9.165 1.00 0.00 N ATOM 628 CA VAL A 44 2.651 -2.644 9.306 1.00 0.00 C ATOM 629 C VAL A 44 2.700 -3.373 10.645 1.00 0.00 C ATOM 630 O VAL A 44 3.428 -4.349 10.822 1.00 0.00 O ATOM 631 CB VAL A 44 2.629 -3.683 8.169 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.951 -4.431 8.104 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.469 -4.650 8.355 1.00 0.00 C ATOM 0 H VAL A 44 4.680 -2.129 9.408 1.00 0.00 H new ATOM 0 HA VAL A 44 1.744 -2.042 9.257 1.00 0.00 H new ATOM 0 HB VAL A 44 2.489 -3.159 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.917 -5.161 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.760 -3.724 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.125 -4.945 9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.468 -5.377 7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.577 -5.169 9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.530 -4.097 8.348 1.00 0.00 H new ATOM 643 N PRO A 45 1.907 -2.888 11.612 1.00 0.00 N ATOM 644 CA PRO A 45 1.841 -3.478 12.952 1.00 0.00 C ATOM 645 C PRO A 45 1.168 -4.846 12.950 1.00 0.00 C ATOM 646 O PRO A 45 0.078 -5.010 12.404 1.00 0.00 O ATOM 647 CB PRO A 45 1.003 -2.471 13.742 1.00 0.00 C ATOM 648 CG PRO A 45 0.172 -1.781 12.716 1.00 0.00 C ATOM 649 CD PRO A 45 1.013 -1.726 11.471 1.00 0.00 C ATOM 0 HA PRO A 45 2.832 -3.650 13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.381 -2.970 14.485 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.636 -1.765 14.279 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.756 -2.323 12.536 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.103 -0.779 13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.403 -1.795 10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.573 -0.793 11.405 1.00 0.00 H new ATOM 657 N GLN A 46 1.826 -5.825 13.565 1.00 0.00 N ATOM 658 CA GLN A 46 1.289 -7.179 13.633 1.00 0.00 C ATOM 659 C GLN A 46 1.212 -7.661 15.078 1.00 0.00 C ATOM 660 O GLN A 46 1.523 -6.918 16.008 1.00 0.00 O ATOM 661 CB GLN A 46 2.154 -8.135 12.809 1.00 0.00 C ATOM 662 CG GLN A 46 2.043 -7.914 11.309 1.00 0.00 C ATOM 663 CD GLN A 46 3.163 -8.584 10.537 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.908 -9.399 11.082 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.289 -8.243 9.260 1.00 0.00 N ATOM 0 H GLN A 46 2.730 -5.706 14.022 1.00 0.00 H new ATOM 0 HA GLN A 46 0.281 -7.165 13.219 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.196 -8.020 13.109 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.868 -9.161 13.039 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.085 -8.298 10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.053 -6.844 11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.650 -7.563 8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.025 -8.661 8.691 1.00 0.00 H new ATOM 674 N ASN A 47 0.796 -8.911 15.258 1.00 0.00 N ATOM 675 CA ASN A 47 0.678 -9.493 16.590 1.00 0.00 C ATOM 676 C ASN A 47 1.944 -10.256 16.965 1.00 0.00 C ATOM 677 O ASN A 47 2.830 -10.453 16.134 1.00 0.00 O ATOM 678 CB ASN A 47 -0.533 -10.426 16.655 1.00 0.00 C ATOM 679 CG ASN A 47 -1.845 -9.669 16.720 1.00 0.00 C ATOM 680 OD1 ASN A 47 -2.181 -9.074 17.745 1.00 0.00 O ATOM 681 ND2 ASN A 47 -2.593 -9.687 15.624 1.00 0.00 N ATOM 0 H ASN A 47 0.535 -9.540 14.498 1.00 0.00 H new ATOM 0 HA ASN A 47 0.541 -8.681 17.304 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.535 -11.076 15.780 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.445 -11.070 17.530 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.486 -9.195 15.608 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.275 -10.193 14.798 1.00 0.00 H new ATOM 688 N GLN A 48 2.021 -10.684 18.221 1.00 0.00 N ATOM 689 CA GLN A 48 3.179 -11.426 18.705 1.00 0.00 C ATOM 690 C GLN A 48 3.614 -12.478 17.691 1.00 0.00 C ATOM 691 O GLN A 48 4.807 -12.703 17.489 1.00 0.00 O ATOM 692 CB GLN A 48 2.860 -12.092 20.045 1.00 0.00 C ATOM 693 CG GLN A 48 2.894 -11.134 21.224 1.00 0.00 C ATOM 694 CD GLN A 48 4.283 -10.977 21.809 1.00 0.00 C ATOM 695 OE1 GLN A 48 4.616 -11.591 22.823 1.00 0.00 O ATOM 696 NE2 GLN A 48 5.105 -10.151 21.171 1.00 0.00 N ATOM 0 H GLN A 48 1.296 -10.530 18.921 1.00 0.00 H new ATOM 0 HA GLN A 48 3.999 -10.721 18.844 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.872 -12.550 19.988 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.574 -12.896 20.221 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.526 -10.159 20.905 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.216 -11.493 21.999 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.788 -9.662 20.334 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.053 -10.006 21.518 1.00 0.00 H new ATOM 705 N ASN A 49 2.639 -13.121 17.057 1.00 0.00 N ATOM 706 CA ASN A 49 2.922 -14.151 16.064 1.00 0.00 C ATOM 707 C ASN A 49 3.419 -13.530 14.762 1.00 0.00 C ATOM 708 O ASN A 49 4.553 -13.762 14.345 1.00 0.00 O ATOM 709 CB ASN A 49 1.670 -14.989 15.796 1.00 0.00 C ATOM 710 CG ASN A 49 0.998 -15.449 17.076 1.00 0.00 C ATOM 711 OD1 ASN A 49 1.532 -16.286 17.803 1.00 0.00 O ATOM 712 ND2 ASN A 49 -0.180 -14.903 17.355 1.00 0.00 N ATOM 0 H ASN A 49 1.646 -12.947 17.213 1.00 0.00 H new ATOM 0 HA ASN A 49 3.706 -14.797 16.461 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.963 -14.404 15.208 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.940 -15.859 15.197 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.680 -15.174 18.202 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.585 -14.212 16.723 1.00 0.00 H new ATOM 719 N GLY A 50 2.562 -12.737 14.125 1.00 0.00 N ATOM 720 CA GLY A 50 2.932 -12.094 12.878 1.00 0.00 C ATOM 721 C GLY A 50 1.733 -11.801 11.998 1.00 0.00 C ATOM 722 O GLY A 50 1.821 -11.868 10.772 1.00 0.00 O ATOM 0 H GLY A 50 1.618 -12.529 14.451 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.456 -11.163 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.629 -12.733 12.336 1.00 0.00 H new ATOM 726 N LYS A 51 0.607 -11.476 12.625 1.00 0.00 N ATOM 727 CA LYS A 51 -0.616 -11.172 11.892 1.00 0.00 C ATOM 728 C LYS A 51 -0.894 -9.672 11.896 1.00 0.00 C ATOM 729 O LYS A 51 -0.926 -9.040 12.952 1.00 0.00 O ATOM 730 CB LYS A 51 -1.801 -11.922 12.504 1.00 0.00 C ATOM 731 CG LYS A 51 -1.758 -13.423 12.270 1.00 0.00 C ATOM 732 CD LYS A 51 -1.004 -14.138 13.379 1.00 0.00 C ATOM 733 CE LYS A 51 -0.943 -15.638 13.133 1.00 0.00 C ATOM 734 NZ LYS A 51 -2.217 -16.313 13.502 1.00 0.00 N ATOM 0 H LYS A 51 0.516 -11.416 13.639 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.482 -11.496 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.826 -11.731 13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.726 -11.524 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.774 -13.812 12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.281 -13.629 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.008 -13.738 13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.491 -13.944 14.335 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.724 -15.825 12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.124 -16.068 13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.135 -17.334 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.413 -16.156 14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.995 -15.921 12.933 1.00 0.00 H new ATOM 748 N SER A 52 -1.095 -9.109 10.709 1.00 0.00 N ATOM 749 CA SER A 52 -1.368 -7.683 10.576 1.00 0.00 C ATOM 750 C SER A 52 -2.650 -7.304 11.312 1.00 0.00 C ATOM 751 O SER A 52 -3.724 -7.830 11.022 1.00 0.00 O ATOM 752 CB SER A 52 -1.481 -7.299 9.100 1.00 0.00 C ATOM 753 OG SER A 52 -0.202 -7.091 8.527 1.00 0.00 O ATOM 0 H SER A 52 -1.074 -9.619 9.826 1.00 0.00 H new ATOM 0 HA SER A 52 -0.538 -7.136 11.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.003 -8.086 8.555 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.079 -6.393 9.002 1.00 0.00 H new ATOM 0 HG SER A 52 -0.302 -6.848 7.583 1.00 0.00 H new ATOM 759 N LYS A 53 -2.528 -6.387 12.266 1.00 0.00 N ATOM 760 CA LYS A 53 -3.675 -5.935 13.044 1.00 0.00 C ATOM 761 C LYS A 53 -4.855 -5.608 12.134 1.00 0.00 C ATOM 762 O LYS A 53 -6.005 -5.601 12.571 1.00 0.00 O ATOM 763 CB LYS A 53 -3.301 -4.705 13.874 1.00 0.00 C ATOM 764 CG LYS A 53 -2.075 -4.910 14.746 1.00 0.00 C ATOM 765 CD LYS A 53 -2.123 -4.039 15.990 1.00 0.00 C ATOM 766 CE LYS A 53 -1.395 -4.691 17.156 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.983 -4.297 18.467 1.00 0.00 N ATOM 0 H LYS A 53 -1.646 -5.942 12.519 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.969 -6.743 13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.123 -3.865 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.146 -4.434 14.507 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.006 -5.958 15.037 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.177 -4.678 14.173 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.673 -3.070 15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.161 -3.854 16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.437 -5.775 17.050 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.342 -4.409 17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.459 -4.762 19.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.920 -3.265 18.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.981 -4.589 18.502 1.00 0.00 H new ATOM 781 N GLY A 54 -4.561 -5.338 10.866 1.00 0.00 N ATOM 782 CA GLY A 54 -5.608 -5.015 9.914 1.00 0.00 C ATOM 783 C GLY A 54 -5.457 -3.622 9.336 1.00 0.00 C ATOM 784 O GLY A 54 -6.323 -3.151 8.599 1.00 0.00 O ATOM 0 H GLY A 54 -3.617 -5.337 10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.596 -5.744 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.578 -5.099 10.404 1.00 0.00 H new ATOM 788 N TYR A 55 -4.355 -2.961 9.671 1.00 0.00 N ATOM 789 CA TYR A 55 -4.095 -1.612 9.183 1.00 0.00 C ATOM 790 C TYR A 55 -2.599 -1.380 8.992 1.00 0.00 C ATOM 791 O TYR A 55 -1.773 -2.151 9.480 1.00 0.00 O ATOM 792 CB TYR A 55 -4.662 -0.577 10.156 1.00 0.00 C ATOM 793 CG TYR A 55 -4.302 -0.842 11.600 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.006 -1.776 12.351 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.260 -0.159 12.214 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.682 -2.022 13.671 1.00 0.00 C ATOM 797 CE2 TYR A 55 -2.928 -0.400 13.534 1.00 0.00 C ATOM 798 CZ TYR A 55 -3.642 -1.332 14.258 1.00 0.00 C ATOM 799 OH TYR A 55 -3.315 -1.573 15.572 1.00 0.00 O ATOM 0 H TYR A 55 -3.627 -3.337 10.279 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.588 -1.502 8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.298 0.411 9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.747 -0.556 10.059 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.820 -2.319 11.895 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.700 0.573 11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.240 -2.751 14.240 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.114 0.139 13.996 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.559 -1.005 15.831 1.00 0.00 H new ATOM 809 N ALA A 56 -2.258 -0.312 8.278 1.00 0.00 N ATOM 810 CA ALA A 56 -0.863 0.024 8.024 1.00 0.00 C ATOM 811 C ALA A 56 -0.665 1.535 7.956 1.00 0.00 C ATOM 812 O ALA A 56 -1.626 2.290 7.811 1.00 0.00 O ATOM 813 CB ALA A 56 -0.389 -0.631 6.735 1.00 0.00 C ATOM 0 H ALA A 56 -2.929 0.335 7.865 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.267 -0.357 8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.655 -0.372 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.484 -1.713 6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.997 -0.278 5.902 1.00 0.00 H new ATOM 819 N PHE A 57 0.586 1.968 8.063 1.00 0.00 N ATOM 820 CA PHE A 57 0.909 3.390 8.015 1.00 0.00 C ATOM 821 C PHE A 57 1.929 3.679 6.917 1.00 0.00 C ATOM 822 O PHE A 57 3.098 3.306 7.028 1.00 0.00 O ATOM 823 CB PHE A 57 1.452 3.857 9.367 1.00 0.00 C ATOM 824 CG PHE A 57 0.403 3.932 10.440 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.633 4.847 10.351 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.455 3.088 11.538 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.600 4.918 11.337 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.509 3.154 12.526 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.537 4.072 12.426 1.00 0.00 C ATOM 0 H PHE A 57 1.393 1.356 8.183 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.006 3.938 7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.241 3.176 9.688 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.908 4.840 9.247 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.686 5.512 9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.258 2.371 11.622 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.404 5.635 11.255 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.459 2.489 13.375 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.290 4.127 13.198 1.00 0.00 H new ATOM 839 N ILE A 58 1.479 4.345 5.860 1.00 0.00 N ATOM 840 CA ILE A 58 2.352 4.685 4.743 1.00 0.00 C ATOM 841 C ILE A 58 2.882 6.109 4.873 1.00 0.00 C ATOM 842 O ILE A 58 2.169 7.009 5.316 1.00 0.00 O ATOM 843 CB ILE A 58 1.621 4.542 3.394 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.688 3.330 3.421 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.626 4.419 2.259 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.365 2.056 3.877 1.00 0.00 C ATOM 0 H ILE A 58 0.515 4.660 5.753 1.00 0.00 H new ATOM 0 HA ILE A 58 3.187 3.985 4.771 1.00 0.00 H new ATOM 0 HB ILE A 58 1.020 5.435 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.152 3.543 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.276 3.176 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.095 4.319 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.254 5.310 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.251 3.540 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.644 1.239 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.187 1.819 3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.752 2.191 4.887 1.00 0.00 H new ATOM 858 N GLU A 59 4.137 6.305 4.482 1.00 0.00 N ATOM 859 CA GLU A 59 4.762 7.621 4.554 1.00 0.00 C ATOM 860 C GLU A 59 5.322 8.032 3.195 1.00 0.00 C ATOM 861 O GLU A 59 5.883 7.213 2.468 1.00 0.00 O ATOM 862 CB GLU A 59 5.879 7.623 5.600 1.00 0.00 C ATOM 863 CG GLU A 59 6.135 8.988 6.214 1.00 0.00 C ATOM 864 CD GLU A 59 7.454 9.054 6.960 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.471 8.586 6.408 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.468 9.573 8.096 1.00 0.00 O ATOM 0 H GLU A 59 4.741 5.570 4.113 1.00 0.00 H new ATOM 0 HA GLU A 59 3.999 8.342 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.624 6.919 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.798 7.264 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.128 9.743 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.322 9.233 6.898 1.00 0.00 H new ATOM 873 N PHE A 60 5.163 9.308 2.859 1.00 0.00 N ATOM 874 CA PHE A 60 5.651 9.830 1.587 1.00 0.00 C ATOM 875 C PHE A 60 6.451 11.112 1.796 1.00 0.00 C ATOM 876 O PHE A 60 6.633 11.566 2.926 1.00 0.00 O ATOM 877 CB PHE A 60 4.481 10.095 0.638 1.00 0.00 C ATOM 878 CG PHE A 60 3.667 8.869 0.333 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.848 8.307 1.299 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.722 8.280 -0.920 1.00 0.00 C ATOM 881 CE1 PHE A 60 2.098 7.180 1.021 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.974 7.153 -1.203 1.00 0.00 C ATOM 883 CZ PHE A 60 2.162 6.602 -0.231 1.00 0.00 C ATOM 0 H PHE A 60 4.700 9.999 3.449 1.00 0.00 H new ATOM 0 HA PHE A 60 6.307 9.081 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.832 10.853 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.866 10.507 -0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.795 8.755 2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.356 8.706 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.463 6.752 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.024 6.703 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.578 5.720 -0.450 1.00 0.00 H new ATOM 893 N ALA A 61 6.928 11.690 0.699 1.00 0.00 N ATOM 894 CA ALA A 61 7.707 12.920 0.760 1.00 0.00 C ATOM 895 C ALA A 61 6.836 14.102 1.173 1.00 0.00 C ATOM 896 O ALA A 61 7.302 15.026 1.840 1.00 0.00 O ATOM 897 CB ALA A 61 8.370 13.194 -0.582 1.00 0.00 C ATOM 0 H ALA A 61 6.788 11.326 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 61 8.482 12.792 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.948 14.116 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.032 12.366 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.605 13.296 -1.352 1.00 0.00 H new ATOM 903 N SER A 62 5.570 14.067 0.771 1.00 0.00 N ATOM 904 CA SER A 62 4.635 15.138 1.095 1.00 0.00 C ATOM 905 C SER A 62 3.221 14.779 0.647 1.00 0.00 C ATOM 906 O SER A 62 2.994 13.721 0.059 1.00 0.00 O ATOM 907 CB SER A 62 5.075 16.445 0.434 1.00 0.00 C ATOM 908 OG SER A 62 4.678 17.566 1.206 1.00 0.00 O ATOM 0 H SER A 62 5.168 13.308 0.220 1.00 0.00 H new ATOM 0 HA SER A 62 4.632 15.269 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.158 16.448 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.642 16.515 -0.564 1.00 0.00 H new ATOM 0 HG SER A 62 4.973 18.389 0.763 1.00 0.00 H new ATOM 914 N PHE A 63 2.274 15.667 0.930 1.00 0.00 N ATOM 915 CA PHE A 63 0.882 15.445 0.557 1.00 0.00 C ATOM 916 C PHE A 63 0.744 15.272 -0.952 1.00 0.00 C ATOM 917 O PHE A 63 -0.311 14.877 -1.448 1.00 0.00 O ATOM 918 CB PHE A 63 0.013 16.612 1.030 1.00 0.00 C ATOM 919 CG PHE A 63 -1.224 16.812 0.202 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.319 15.977 0.357 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.293 17.835 -0.730 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.459 16.158 -0.404 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.430 18.021 -1.494 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.514 17.182 -1.329 1.00 0.00 C ATOM 0 H PHE A 63 2.445 16.547 1.416 1.00 0.00 H new ATOM 0 HA PHE A 63 0.544 14.529 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.277 16.442 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.605 17.527 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.281 15.176 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.448 18.495 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.305 15.500 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.470 18.821 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.404 17.326 -1.923 1.00 0.00 H new ATOM 934 N GLU A 64 1.817 15.570 -1.677 1.00 0.00 N ATOM 935 CA GLU A 64 1.815 15.449 -3.130 1.00 0.00 C ATOM 936 C GLU A 64 1.846 13.983 -3.554 1.00 0.00 C ATOM 937 O GLU A 64 0.915 13.491 -4.193 1.00 0.00 O ATOM 938 CB GLU A 64 3.014 16.189 -3.728 1.00 0.00 C ATOM 939 CG GLU A 64 2.728 17.644 -4.059 1.00 0.00 C ATOM 940 CD GLU A 64 3.571 18.157 -5.210 1.00 0.00 C ATOM 941 OE1 GLU A 64 4.791 18.337 -5.018 1.00 0.00 O ATOM 942 OE2 GLU A 64 3.009 18.377 -6.304 1.00 0.00 O ATOM 0 H GLU A 64 2.699 15.897 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 64 0.896 15.899 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.846 16.142 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.332 15.675 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.673 17.755 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.913 18.257 -3.177 1.00 0.00 H new ATOM 949 N ASP A 65 2.921 13.292 -3.194 1.00 0.00 N ATOM 950 CA ASP A 65 3.074 11.882 -3.535 1.00 0.00 C ATOM 951 C ASP A 65 2.072 11.025 -2.767 1.00 0.00 C ATOM 952 O ASP A 65 1.495 10.087 -3.315 1.00 0.00 O ATOM 953 CB ASP A 65 4.499 11.414 -3.237 1.00 0.00 C ATOM 954 CG ASP A 65 5.434 11.620 -4.412 1.00 0.00 C ATOM 955 OD1 ASP A 65 4.948 11.626 -5.563 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.651 11.775 -4.181 1.00 0.00 O ATOM 0 H ASP A 65 3.700 13.685 -2.666 1.00 0.00 H new ATOM 0 HA ASP A 65 2.879 11.769 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.883 11.955 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.483 10.357 -2.970 1.00 0.00 H new ATOM 961 N ALA A 66 1.873 11.355 -1.495 1.00 0.00 N ATOM 962 CA ALA A 66 0.941 10.616 -0.652 1.00 0.00 C ATOM 963 C ALA A 66 -0.444 10.554 -1.288 1.00 0.00 C ATOM 964 O ALA A 66 -1.030 9.479 -1.419 1.00 0.00 O ATOM 965 CB ALA A 66 0.862 11.251 0.729 1.00 0.00 C ATOM 0 H ALA A 66 2.344 12.129 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 66 1.311 9.596 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.163 10.689 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.848 11.238 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.518 12.281 0.637 1.00 0.00 H new ATOM 971 N LYS A 67 -0.962 11.712 -1.681 1.00 0.00 N ATOM 972 CA LYS A 67 -2.278 11.790 -2.304 1.00 0.00 C ATOM 973 C LYS A 67 -2.272 11.118 -3.673 1.00 0.00 C ATOM 974 O LYS A 67 -3.298 10.615 -4.131 1.00 0.00 O ATOM 975 CB LYS A 67 -2.713 13.251 -2.443 1.00 0.00 C ATOM 976 CG LYS A 67 -3.923 13.442 -3.341 1.00 0.00 C ATOM 977 CD LYS A 67 -5.179 12.857 -2.717 1.00 0.00 C ATOM 978 CE LYS A 67 -5.669 13.704 -1.552 1.00 0.00 C ATOM 979 NZ LYS A 67 -7.047 13.327 -1.134 1.00 0.00 N ATOM 0 H LYS A 67 -0.490 12.611 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.987 11.265 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.938 13.650 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.881 13.833 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.072 14.505 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.740 12.968 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.962 12.786 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.977 11.843 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.989 13.589 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.650 14.756 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.345 13.927 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.701 13.461 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.060 12.330 -0.840 1.00 0.00 H new ATOM 993 N GLU A 68 -1.111 11.112 -4.320 1.00 0.00 N ATOM 994 CA GLU A 68 -0.974 10.500 -5.636 1.00 0.00 C ATOM 995 C GLU A 68 -1.218 8.995 -5.565 1.00 0.00 C ATOM 996 O GLU A 68 -1.903 8.426 -6.413 1.00 0.00 O ATOM 997 CB GLU A 68 0.418 10.775 -6.209 1.00 0.00 C ATOM 998 CG GLU A 68 0.740 9.955 -7.446 1.00 0.00 C ATOM 999 CD GLU A 68 1.779 10.617 -8.331 1.00 0.00 C ATOM 1000 OE1 GLU A 68 2.918 10.819 -7.860 1.00 0.00 O ATOM 1001 OE2 GLU A 68 1.452 10.932 -9.494 1.00 0.00 O ATOM 0 H GLU A 68 -0.252 11.524 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.723 10.942 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.498 11.834 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.165 10.569 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.100 8.972 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.173 9.797 -8.020 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.651 8.358 -4.546 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.807 6.920 -4.362 1.00 0.00 C ATOM 1010 C ALA A 69 -2.130 6.595 -3.677 1.00 0.00 C ATOM 1011 O ALA A 69 -2.705 5.526 -3.889 1.00 0.00 O ATOM 1012 CB ALA A 69 0.358 6.361 -3.558 1.00 0.00 C ATOM 0 H ALA A 69 -0.080 8.815 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.813 6.451 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.228 5.287 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.291 6.553 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.390 6.843 -2.581 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.608 7.522 -2.854 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.864 7.334 -2.136 1.00 0.00 C ATOM 1020 C LEU A 70 -5.056 7.471 -3.079 1.00 0.00 C ATOM 1021 O LEU A 70 -6.124 6.915 -2.829 1.00 0.00 O ATOM 1022 CB LEU A 70 -3.980 8.348 -0.997 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.399 8.775 -0.621 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.138 7.634 0.060 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.366 10.003 0.277 1.00 0.00 C ATOM 0 H LEU A 70 -2.145 8.411 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.869 6.327 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.502 7.927 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.415 9.239 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.934 9.032 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.146 7.957 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.194 6.781 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.605 7.344 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.385 10.293 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.813 9.773 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.877 10.824 -0.247 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.863 8.215 -4.163 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.921 8.425 -5.144 1.00 0.00 C ATOM 1039 C ASN A 71 -6.161 7.161 -5.964 1.00 0.00 C ATOM 1040 O ASN A 71 -7.294 6.856 -6.338 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.562 9.587 -6.072 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.061 10.920 -5.549 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.185 11.026 -5.057 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.225 11.947 -5.653 1.00 0.00 N ATOM 0 H ASN A 71 -3.984 8.682 -4.384 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.837 8.668 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.480 9.630 -6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.987 9.405 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.505 12.869 -5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.303 11.814 -6.068 1.00 0.00 H new ATOM 1051 N SER A 72 -5.087 6.428 -6.239 1.00 0.00 N ATOM 1052 CA SER A 72 -5.180 5.198 -7.017 1.00 0.00 C ATOM 1053 C SER A 72 -5.266 3.981 -6.101 1.00 0.00 C ATOM 1054 O SER A 72 -6.286 3.292 -6.060 1.00 0.00 O ATOM 1055 CB SER A 72 -3.973 5.066 -7.948 1.00 0.00 C ATOM 1056 OG SER A 72 -4.242 4.163 -9.007 1.00 0.00 O ATOM 0 H SER A 72 -4.143 6.664 -5.935 1.00 0.00 H new ATOM 0 HA SER A 72 -6.089 5.244 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.716 6.044 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.109 4.720 -7.381 1.00 0.00 H new ATOM 0 HG SER A 72 -3.456 4.097 -9.589 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.189 3.723 -5.369 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.140 2.588 -4.453 1.00 0.00 C ATOM 1064 C CYS A 73 -5.489 2.382 -3.771 1.00 0.00 C ATOM 1065 O CYS A 73 -5.869 1.256 -3.453 1.00 0.00 O ATOM 1066 CB CYS A 73 -3.050 2.801 -3.402 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.391 3.010 -4.090 1.00 0.00 S ATOM 0 H CYS A 73 -3.337 4.284 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.906 1.695 -5.032 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.299 3.681 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.045 1.949 -2.722 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.573 3.374 -3.147 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.206 3.478 -3.547 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.512 3.418 -2.900 1.00 0.00 C ATOM 1075 C ASN A 74 -8.259 2.149 -3.299 1.00 0.00 C ATOM 1076 O ASN A 74 -8.437 1.866 -4.484 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.344 4.649 -3.268 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.328 5.028 -2.178 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.535 5.096 -2.413 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.816 5.277 -0.979 1.00 0.00 N ATOM 0 H ASN A 74 -5.905 4.418 -3.804 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.355 3.403 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.678 5.490 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.887 4.454 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.429 5.537 -0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.809 5.208 -0.830 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.694 1.387 -2.301 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.423 0.149 -2.545 1.00 0.00 C ATOM 1089 C LYS A 75 -8.620 -0.788 -3.442 1.00 0.00 C ATOM 1090 O LYS A 75 -9.104 -1.231 -4.484 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.779 0.449 -3.188 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.634 1.412 -2.382 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.679 2.092 -3.251 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.365 3.230 -2.511 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.055 4.162 -3.445 1.00 0.00 N ATOM 0 H LYS A 75 -8.554 1.606 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.583 -0.343 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.616 0.865 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.324 -0.486 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.127 0.873 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.997 2.166 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.207 2.477 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.423 1.361 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.088 2.821 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.627 3.781 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.510 4.924 -2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.361 4.572 -4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.777 3.642 -3.984 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.393 -1.086 -3.030 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.523 -1.971 -3.797 1.00 0.00 C ATOM 1111 C ARG A 76 -6.707 -3.422 -3.365 1.00 0.00 C ATOM 1112 O ARG A 76 -6.509 -3.762 -2.199 1.00 0.00 O ATOM 1113 CB ARG A 76 -5.060 -1.557 -3.624 1.00 0.00 C ATOM 1114 CG ARG A 76 -4.073 -2.556 -4.206 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.770 -2.255 -5.665 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.470 -2.780 -6.074 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.880 -2.468 -7.222 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.470 -1.638 -8.071 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.696 -2.986 -7.524 1.00 0.00 N ATOM 0 H ARG A 76 -6.978 -0.728 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.796 -1.886 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.906 -0.588 -4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.850 -1.428 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.148 -2.534 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.479 -3.564 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.549 -2.686 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.792 -1.177 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.989 -3.421 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.380 -1.237 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.014 -1.400 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.238 -3.625 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.244 -2.745 -8.406 1.00 0.00 H new ATOM 1133 N GLU A 77 -7.087 -4.273 -4.313 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.299 -5.688 -4.029 1.00 0.00 C ATOM 1135 C GLU A 77 -5.968 -6.407 -3.828 1.00 0.00 C ATOM 1136 O GLU A 77 -5.278 -6.737 -4.793 1.00 0.00 O ATOM 1137 CB GLU A 77 -8.082 -6.347 -5.166 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.589 -6.293 -4.979 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.345 -6.479 -6.280 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.933 -5.884 -7.297 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -11.350 -7.221 -6.280 1.00 0.00 O ATOM 0 H GLU A 77 -7.254 -4.008 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.877 -5.766 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.823 -5.858 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.772 -7.388 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.892 -7.067 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.863 -5.334 -4.538 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.616 -6.648 -2.570 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.369 -7.328 -2.243 1.00 0.00 C ATOM 1150 C ILE A 78 -4.636 -8.652 -1.535 1.00 0.00 C ATOM 1151 O ILE A 78 -5.399 -8.709 -0.572 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.468 -6.454 -1.351 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.045 -5.189 -2.101 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.248 -7.242 -0.898 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.167 -4.268 -1.283 1.00 0.00 C ATOM 0 H ILE A 78 -6.177 -6.383 -1.760 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.856 -7.519 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.033 -6.158 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.512 -5.475 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.937 -4.646 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.621 -6.611 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.569 -8.116 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.679 -7.565 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.905 -3.392 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.704 -3.953 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.258 -4.795 -0.993 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.999 -9.714 -2.018 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.166 -11.038 -1.430 1.00 0.00 C ATOM 1169 C GLU A 79 -5.645 -11.398 -1.313 1.00 0.00 C ATOM 1170 O GLU A 79 -6.055 -12.087 -0.380 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.505 -11.095 -0.051 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.019 -11.406 -0.101 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.736 -12.844 -0.492 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.731 -13.713 0.404 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -1.521 -13.099 -1.695 1.00 0.00 O ATOM 0 H GLU A 79 -3.363 -9.683 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.684 -11.763 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.651 -10.139 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.006 -11.852 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.536 -10.738 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.577 -11.205 0.875 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.440 -10.925 -2.267 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.864 -11.206 -2.253 1.00 0.00 C ATOM 1184 C GLY A 80 -8.608 -10.382 -1.221 1.00 0.00 C ATOM 1185 O GLY A 80 -9.717 -10.733 -0.818 1.00 0.00 O ATOM 0 H GLY A 80 -6.124 -10.352 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.280 -11.007 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.020 -12.265 -2.049 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.996 -9.283 -0.792 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.606 -8.408 0.202 1.00 0.00 C ATOM 1191 C ARG A 81 -8.432 -6.942 -0.184 1.00 0.00 C ATOM 1192 O ARG A 81 -7.313 -6.432 -0.237 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.992 -8.659 1.580 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.580 -9.863 2.298 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.439 -9.736 3.807 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.498 -10.447 4.518 1.00 0.00 N ATOM 1197 CZ ARG A 81 -9.575 -11.771 4.587 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -8.660 -12.524 3.992 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -10.569 -12.345 5.253 1.00 0.00 N ATOM 0 H ARG A 81 -7.079 -8.978 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.672 -8.632 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.917 -8.802 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.134 -7.773 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.633 -9.965 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.079 -10.770 1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.470 -10.128 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.460 -8.682 4.085 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.218 -9.897 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.894 -12.087 3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.722 -13.541 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.275 -11.769 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.627 -13.362 5.305 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.546 -6.270 -0.454 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.517 -4.863 -0.834 1.00 0.00 C ATOM 1215 C ALA A 82 -9.001 -3.996 0.310 1.00 0.00 C ATOM 1216 O ALA A 82 -9.522 -4.049 1.424 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.902 -4.403 -1.264 1.00 0.00 C ATOM 0 H ALA A 82 -10.480 -6.677 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.833 -4.754 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.865 -3.350 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.233 -4.995 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.601 -4.534 -0.438 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.976 -3.200 0.027 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.391 -2.322 1.033 1.00 0.00 C ATOM 1225 C ILE A 83 -7.788 -0.870 0.793 1.00 0.00 C ATOM 1226 O ILE A 83 -7.777 -0.392 -0.342 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.854 -2.427 1.047 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.255 -1.596 -0.090 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.421 -3.881 0.933 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.934 -0.172 0.307 1.00 0.00 C ATOM 0 H ILE A 83 -7.533 -3.145 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.778 -2.647 1.999 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.486 -2.032 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.344 -2.080 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.954 -1.583 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.333 -3.938 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.823 -4.447 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.797 -4.300 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.513 0.358 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.846 0.329 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.212 -0.176 1.123 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.137 -0.172 1.868 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.538 1.227 1.775 1.00 0.00 C ATOM 1244 C ARG A 84 -7.486 2.137 2.403 1.00 0.00 C ATOM 1245 O ARG A 84 -6.836 1.768 3.382 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.888 1.440 2.462 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.292 2.902 2.570 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.439 3.091 3.551 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.740 2.932 2.908 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.881 2.811 3.579 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.880 2.831 4.904 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -15.025 2.669 2.923 1.00 0.00 N ATOM 0 H ARG A 84 -8.150 -0.552 2.814 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.631 1.483 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.657 0.899 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.850 1.007 3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.435 3.495 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.586 3.273 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.345 2.369 4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.374 4.083 3.998 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.775 2.913 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.002 2.939 5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.757 2.738 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.029 2.653 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.900 2.576 3.438 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.324 3.326 1.834 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.350 4.289 2.337 1.00 0.00 C ATOM 1268 C LEU A 85 -7.021 5.618 2.670 1.00 0.00 C ATOM 1269 O LEU A 85 -7.825 6.130 1.891 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.241 4.509 1.307 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.462 3.263 0.884 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.970 3.402 -0.548 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.295 3.017 1.829 1.00 0.00 C ATOM 0 H LEU A 85 -7.854 3.647 1.024 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.914 3.884 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.683 4.957 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.535 5.234 1.712 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.132 2.405 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.418 2.506 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.823 3.529 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.316 4.271 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.752 2.126 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.625 3.876 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.671 2.872 2.842 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.684 6.171 3.831 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.253 7.441 4.265 1.00 0.00 C ATOM 1287 C GLU A 86 -6.184 8.331 4.891 1.00 0.00 C ATOM 1288 O GLU A 86 -5.363 7.870 5.686 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.385 7.202 5.267 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.752 7.059 4.619 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.886 7.181 5.618 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.813 8.069 6.493 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.847 6.388 5.525 1.00 0.00 O ATOM 0 H GLU A 86 -6.020 5.760 4.487 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.655 7.948 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.168 6.300 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.413 8.030 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.867 7.822 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.814 6.092 4.120 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.198 9.609 4.528 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.229 10.565 5.053 1.00 0.00 C ATOM 1302 C LEU A 87 -5.357 10.693 6.567 1.00 0.00 C ATOM 1303 O LEU A 87 -6.439 10.966 7.087 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.425 11.932 4.395 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.915 12.065 2.960 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.185 13.463 2.425 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.429 11.743 2.889 1.00 0.00 C ATOM 0 H LEU A 87 -6.870 10.007 3.872 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.229 10.197 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.489 12.168 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.926 12.683 5.008 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.451 11.349 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.815 13.539 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.258 13.657 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.676 14.196 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.084 11.843 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.876 12.434 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.261 10.721 3.230 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.246 10.497 7.269 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.234 10.593 8.724 1.00 0.00 C ATOM 1321 C GLN A 88 -4.328 12.047 9.174 1.00 0.00 C ATOM 1322 O GLN A 88 -3.714 12.932 8.581 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.964 9.953 9.288 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.075 9.574 10.756 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.723 9.465 11.434 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.404 10.240 12.336 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.920 8.500 11.002 1.00 0.00 N ATOM 0 H GLN A 88 -3.342 10.271 6.854 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.103 10.057 9.106 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.728 9.061 8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.131 10.645 9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.679 10.319 11.275 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.599 8.622 10.843 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.225 7.880 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.002 8.378 11.420 1.00 0.00 H new ATOM 1336 N GLY A 89 -5.103 12.286 10.228 1.00 0.00 N ATOM 1337 CA GLY A 89 -5.264 13.634 10.740 1.00 0.00 C ATOM 1338 C GLY A 89 -4.590 13.828 12.084 1.00 0.00 C ATOM 1339 O GLY A 89 -4.018 12.900 12.656 1.00 0.00 O ATOM 0 H GLY A 89 -5.622 11.570 10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.850 14.343 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.326 13.859 10.834 1.00 0.00 H new ATOM 1343 N PRO A 90 -4.652 15.061 12.609 1.00 0.00 N ATOM 1344 CA PRO A 90 -4.047 15.403 13.899 1.00 0.00 C ATOM 1345 C PRO A 90 -4.781 14.762 15.072 1.00 0.00 C ATOM 1346 O PRO A 90 -5.972 14.462 14.982 1.00 0.00 O ATOM 1347 CB PRO A 90 -4.174 16.928 13.958 1.00 0.00 C ATOM 1348 CG PRO A 90 -5.335 17.245 13.079 1.00 0.00 C ATOM 1349 CD PRO A 90 -5.317 16.216 11.982 1.00 0.00 C ATOM 0 HA PRO A 90 -3.021 15.044 13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.344 17.272 14.978 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.265 17.415 13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.270 17.204 13.638 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.252 18.252 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.324 15.967 11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.769 16.569 11.108 1.00 0.00 H new ATOM 1357 N ARG A 91 -4.063 14.554 16.171 1.00 0.00 N ATOM 1358 CA ARG A 91 -4.647 13.948 17.361 1.00 0.00 C ATOM 1359 C ARG A 91 -5.654 14.891 18.014 1.00 0.00 C ATOM 1360 O ARG A 91 -5.386 15.469 19.066 1.00 0.00 O ATOM 1361 CB ARG A 91 -3.551 13.582 18.363 1.00 0.00 C ATOM 1362 CG ARG A 91 -2.615 14.734 18.690 1.00 0.00 C ATOM 1363 CD ARG A 91 -1.547 14.318 19.690 1.00 0.00 C ATOM 1364 NE ARG A 91 -2.078 14.214 21.046 1.00 0.00 N ATOM 1365 CZ ARG A 91 -1.369 13.779 22.082 1.00 0.00 C ATOM 1366 NH1 ARG A 91 -0.107 13.411 21.917 1.00 0.00 N ATOM 1367 NH2 ARG A 91 -1.923 13.714 23.286 1.00 0.00 N ATOM 0 H ARG A 91 -3.076 14.796 16.262 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.169 13.041 17.057 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.015 13.230 19.284 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.967 12.753 17.963 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.140 15.089 17.775 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.189 15.567 19.095 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.125 13.358 19.391 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.733 15.043 19.674 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.047 14.491 21.207 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.322 13.461 20.993 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.435 13.077 22.714 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.894 13.998 23.417 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.378 13.380 24.081 1.00 0.00 H new ATOM 1381 N GLY A 92 -6.814 15.041 17.381 1.00 0.00 N ATOM 1382 CA GLY A 92 -7.842 15.915 17.915 1.00 0.00 C ATOM 1383 C GLY A 92 -7.303 17.279 18.295 1.00 0.00 C ATOM 1384 O GLY A 92 -6.242 17.688 17.824 1.00 0.00 O ATOM 0 H GLY A 92 -7.060 14.573 16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.634 16.034 17.175 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.292 15.448 18.791 1.00 0.00 H new ATOM 1388 N SER A 93 -8.036 17.986 19.149 1.00 0.00 N ATOM 1389 CA SER A 93 -7.628 19.315 19.589 1.00 0.00 C ATOM 1390 C SER A 93 -6.262 19.268 20.266 1.00 0.00 C ATOM 1391 O SER A 93 -5.920 18.314 20.964 1.00 0.00 O ATOM 1392 CB SER A 93 -8.667 19.899 20.550 1.00 0.00 C ATOM 1393 OG SER A 93 -9.924 20.047 19.913 1.00 0.00 O ATOM 0 H SER A 93 -8.916 17.661 19.550 1.00 0.00 H new ATOM 0 HA SER A 93 -7.556 19.955 18.710 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.770 19.248 21.418 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.325 20.867 20.916 1.00 0.00 H new ATOM 0 HG SER A 93 -10.571 20.420 20.548 1.00 0.00 H new ATOM 1399 N PRO A 94 -5.462 20.324 20.056 1.00 0.00 N ATOM 1400 CA PRO A 94 -4.120 20.428 20.637 1.00 0.00 C ATOM 1401 C PRO A 94 -4.157 20.633 22.148 1.00 0.00 C ATOM 1402 O PRO A 94 -3.117 20.672 22.803 1.00 0.00 O ATOM 1403 CB PRO A 94 -3.528 21.658 19.945 1.00 0.00 C ATOM 1404 CG PRO A 94 -4.709 22.477 19.552 1.00 0.00 C ATOM 1405 CD PRO A 94 -5.805 21.497 19.235 1.00 0.00 C ATOM 0 HA PRO A 94 -3.540 19.518 20.488 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.869 22.210 20.615 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.935 21.376 19.075 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -5.006 23.147 20.359 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.481 23.101 18.688 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.787 21.895 19.493 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.829 21.251 18.173 1.00 0.00 H new ATOM 1413 N ASN A 95 -5.362 20.763 22.693 1.00 0.00 N ATOM 1414 CA ASN A 95 -5.534 20.964 24.127 1.00 0.00 C ATOM 1415 C ASN A 95 -6.144 19.729 24.781 1.00 0.00 C ATOM 1416 O ASN A 95 -7.048 19.103 24.226 1.00 0.00 O ATOM 1417 CB ASN A 95 -6.419 22.184 24.390 1.00 0.00 C ATOM 1418 CG ASN A 95 -5.775 23.477 23.927 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -4.866 23.996 24.573 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -6.246 24.002 22.802 1.00 0.00 N ATOM 0 H ASN A 95 -6.233 20.733 22.164 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.550 21.136 24.564 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.373 22.054 23.880 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.634 22.250 25.457 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.852 24.871 22.441 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.001 23.536 22.299 1.00 0.00 H new ATOM 1427 N SER A 96 -5.645 19.383 25.963 1.00 0.00 N ATOM 1428 CA SER A 96 -6.139 18.220 26.691 1.00 0.00 C ATOM 1429 C SER A 96 -7.647 18.312 26.903 1.00 0.00 C ATOM 1430 O SER A 96 -8.383 17.365 26.629 1.00 0.00 O ATOM 1431 CB SER A 96 -5.429 18.098 28.041 1.00 0.00 C ATOM 1432 OG SER A 96 -5.636 19.255 28.833 1.00 0.00 O ATOM 0 H SER A 96 -4.899 19.891 26.437 1.00 0.00 H new ATOM 0 HA SER A 96 -5.927 17.332 26.095 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.798 17.220 28.571 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.361 17.949 27.882 1.00 0.00 H new ATOM 0 HG SER A 96 -5.174 19.151 29.691 1.00 0.00 H new ATOM 1438 N GLY A 97 -8.101 19.462 27.394 1.00 0.00 N ATOM 1439 CA GLY A 97 -9.518 19.658 27.635 1.00 0.00 C ATOM 1440 C GLY A 97 -9.831 19.882 29.101 1.00 0.00 C ATOM 1441 O GLY A 97 -10.205 18.960 29.826 1.00 0.00 O ATOM 0 H GLY A 97 -7.512 20.261 27.629 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.867 20.514 27.057 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.068 18.787 27.278 1.00 0.00 H new ATOM 1445 N PRO A 98 -9.676 21.133 29.560 1.00 0.00 N ATOM 1446 CA PRO A 98 -9.938 21.504 30.953 1.00 0.00 C ATOM 1447 C PRO A 98 -11.423 21.458 31.295 1.00 0.00 C ATOM 1448 O PRO A 98 -12.277 21.562 30.414 1.00 0.00 O ATOM 1449 CB PRO A 98 -9.413 22.939 31.044 1.00 0.00 C ATOM 1450 CG PRO A 98 -9.492 23.460 29.650 1.00 0.00 C ATOM 1451 CD PRO A 98 -9.233 22.282 28.752 1.00 0.00 C ATOM 0 HA PRO A 98 -9.463 20.817 31.653 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.016 23.539 31.726 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.390 22.963 31.418 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.472 23.895 29.451 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.755 24.246 29.485 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.792 22.357 27.819 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.179 22.204 28.486 1.00 0.00 H new ATOM 1459 N SER A 99 -11.726 21.302 32.580 1.00 0.00 N ATOM 1460 CA SER A 99 -13.109 21.240 33.038 1.00 0.00 C ATOM 1461 C SER A 99 -13.250 21.857 34.427 1.00 0.00 C ATOM 1462 O SER A 99 -12.277 21.958 35.175 1.00 0.00 O ATOM 1463 CB SER A 99 -13.595 19.789 33.061 1.00 0.00 C ATOM 1464 OG SER A 99 -12.736 18.975 33.841 1.00 0.00 O ATOM 0 H SER A 99 -11.032 21.216 33.322 1.00 0.00 H new ATOM 0 HA SER A 99 -13.723 21.811 32.342 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.606 19.747 33.465 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.642 19.402 32.043 1.00 0.00 H new ATOM 0 HG SER A 99 -13.069 18.053 33.841 1.00 0.00 H new ATOM 1470 N SER A 100 -14.468 22.268 34.763 1.00 0.00 N ATOM 1471 CA SER A 100 -14.737 22.880 36.060 1.00 0.00 C ATOM 1472 C SER A 100 -15.974 22.262 36.705 1.00 0.00 C ATOM 1473 O SER A 100 -17.029 22.161 36.081 1.00 0.00 O ATOM 1474 CB SER A 100 -14.929 24.389 35.905 1.00 0.00 C ATOM 1475 OG SER A 100 -15.108 25.012 37.165 1.00 0.00 O ATOM 0 H SER A 100 -15.284 22.189 34.156 1.00 0.00 H new ATOM 0 HA SER A 100 -13.880 22.695 36.707 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.063 24.819 35.403 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.794 24.586 35.272 1.00 0.00 H new ATOM 0 HG SER A 100 -15.227 25.977 37.039 1.00 0.00 H new ATOM 1481 N GLY A 101 -15.834 21.848 37.961 1.00 0.00 N ATOM 1482 CA GLY A 101 -16.946 21.245 38.672 1.00 0.00 C ATOM 1483 C GLY A 101 -16.591 20.876 40.098 1.00 0.00 C ATOM 1484 O GLY A 101 -17.433 20.950 40.994 1.00 0.00 O ATOM 0 H GLY A 101 -14.970 21.920 38.499 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.788 21.938 38.678 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -17.272 20.352 38.139 1.00 0.00 H new TER 1488 GLY A 101