USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 562 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 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0981 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.129 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 46:sc= 1.08 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.128) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.0462 (180deg=-0.834) USER MOD Single : A 16 CYS SG : rot 80:sc= -1.46 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.94) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.724 USER MOD Single : A 35 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-2.7) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 107:sc= 0.109 USER MOD Single : A 50 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0651 K(o=-0.065,f=-4.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 61:sc= 0.43 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.457 30.087 10.247 1.00 0.00 N ATOM 2 CA GLY A 1 9.417 29.045 9.237 1.00 0.00 C ATOM 3 C GLY A 1 8.410 27.960 9.563 1.00 0.00 C ATOM 4 O GLY A 1 7.650 28.078 10.524 1.00 0.00 O ATOM 0 H1 GLY A 1 9.132 30.984 9.833 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.836 29.826 11.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.431 30.198 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.170 29.488 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.407 28.600 9.139 1.00 0.00 H new ATOM 8 N SER A 2 8.402 26.902 8.759 1.00 0.00 N ATOM 9 CA SER A 2 7.476 25.794 8.963 1.00 0.00 C ATOM 10 C SER A 2 8.177 24.617 9.635 1.00 0.00 C ATOM 11 O SER A 2 9.352 24.354 9.382 1.00 0.00 O ATOM 12 CB SER A 2 6.876 25.350 7.627 1.00 0.00 C ATOM 13 OG SER A 2 7.832 24.658 6.844 1.00 0.00 O ATOM 0 H SER A 2 9.026 26.788 7.960 1.00 0.00 H new ATOM 0 HA SER A 2 6.674 26.138 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.015 24.707 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.515 26.221 7.080 1.00 0.00 H new ATOM 0 HG SER A 2 7.424 24.383 5.996 1.00 0.00 H new ATOM 19 N SER A 3 7.445 23.912 10.492 1.00 0.00 N ATOM 20 CA SER A 3 7.996 22.765 11.204 1.00 0.00 C ATOM 21 C SER A 3 7.490 21.457 10.603 1.00 0.00 C ATOM 22 O SER A 3 8.258 20.520 10.390 1.00 0.00 O ATOM 23 CB SER A 3 7.628 22.834 12.687 1.00 0.00 C ATOM 24 OG SER A 3 6.245 22.596 12.881 1.00 0.00 O ATOM 0 H SER A 3 6.469 24.115 10.710 1.00 0.00 H new ATOM 0 HA SER A 3 9.081 22.794 11.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.208 22.098 13.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.891 23.814 13.085 1.00 0.00 H new ATOM 0 HG SER A 3 6.036 22.644 13.837 1.00 0.00 H new ATOM 30 N GLY A 4 6.189 21.403 10.331 1.00 0.00 N ATOM 31 CA GLY A 4 5.601 20.207 9.757 1.00 0.00 C ATOM 32 C GLY A 4 4.238 20.467 9.146 1.00 0.00 C ATOM 33 O GLY A 4 3.324 20.932 9.826 1.00 0.00 O ATOM 0 H GLY A 4 5.533 22.166 10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.268 19.809 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.510 19.444 10.530 1.00 0.00 H new ATOM 37 N SER A 5 4.102 20.168 7.858 1.00 0.00 N ATOM 38 CA SER A 5 2.843 20.378 7.153 1.00 0.00 C ATOM 39 C SER A 5 2.548 19.215 6.211 1.00 0.00 C ATOM 40 O SER A 5 3.294 18.965 5.264 1.00 0.00 O ATOM 41 CB SER A 5 2.886 21.689 6.366 1.00 0.00 C ATOM 42 OG SER A 5 2.945 22.805 7.238 1.00 0.00 O ATOM 0 H SER A 5 4.848 19.780 7.281 1.00 0.00 H new ATOM 0 HA SER A 5 2.045 20.434 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.754 21.693 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.003 21.765 5.732 1.00 0.00 H new ATOM 0 HG SER A 5 2.973 23.631 6.711 1.00 0.00 H new ATOM 48 N SER A 6 1.454 18.509 6.477 1.00 0.00 N ATOM 49 CA SER A 6 1.061 17.370 5.656 1.00 0.00 C ATOM 50 C SER A 6 -0.230 17.666 4.899 1.00 0.00 C ATOM 51 O SER A 6 -1.314 17.255 5.312 1.00 0.00 O ATOM 52 CB SER A 6 0.881 16.124 6.526 1.00 0.00 C ATOM 53 OG SER A 6 -0.184 16.293 7.444 1.00 0.00 O ATOM 0 H SER A 6 0.824 18.706 7.255 1.00 0.00 H new ATOM 0 HA SER A 6 1.854 17.186 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.685 15.259 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.804 15.919 7.069 1.00 0.00 H new ATOM 0 HG SER A 6 -0.960 16.669 6.979 1.00 0.00 H new ATOM 59 N GLY A 7 -0.106 18.383 3.786 1.00 0.00 N ATOM 60 CA GLY A 7 -1.269 18.722 2.988 1.00 0.00 C ATOM 61 C GLY A 7 -2.048 17.498 2.548 1.00 0.00 C ATOM 62 O GLY A 7 -1.798 16.390 3.022 1.00 0.00 O ATOM 0 H GLY A 7 0.780 18.735 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.923 19.377 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.951 19.282 2.109 1.00 0.00 H new ATOM 66 N LYS A 8 -2.997 17.698 1.640 1.00 0.00 N ATOM 67 CA LYS A 8 -3.817 16.602 1.136 1.00 0.00 C ATOM 68 C LYS A 8 -4.568 17.020 -0.124 1.00 0.00 C ATOM 69 O LYS A 8 -5.459 17.869 -0.075 1.00 0.00 O ATOM 70 CB LYS A 8 -4.810 16.146 2.207 1.00 0.00 C ATOM 71 CG LYS A 8 -5.843 15.156 1.697 1.00 0.00 C ATOM 72 CD LYS A 8 -5.202 13.835 1.303 1.00 0.00 C ATOM 73 CE LYS A 8 -6.244 12.821 0.859 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.924 12.180 2.018 1.00 0.00 N ATOM 0 H LYS A 8 -3.218 18.609 1.238 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.156 15.772 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.260 15.692 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.324 17.019 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.593 14.982 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.362 15.580 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.488 14.002 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.641 13.435 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.985 13.314 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.767 12.054 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.727 11.612 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.251 11.564 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.270 12.915 2.668 1.00 0.00 H new ATOM 88 N VAL A 9 -4.204 16.418 -1.252 1.00 0.00 N ATOM 89 CA VAL A 9 -4.846 16.726 -2.524 1.00 0.00 C ATOM 90 C VAL A 9 -5.236 15.452 -3.266 1.00 0.00 C ATOM 91 O VAL A 9 -4.434 14.526 -3.394 1.00 0.00 O ATOM 92 CB VAL A 9 -3.927 17.570 -3.426 1.00 0.00 C ATOM 93 CG1 VAL A 9 -4.601 17.853 -4.760 1.00 0.00 C ATOM 94 CG2 VAL A 9 -3.542 18.866 -2.729 1.00 0.00 C ATOM 0 H VAL A 9 -3.468 15.714 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.744 17.299 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.016 17.003 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.936 18.451 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.822 16.912 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.528 18.400 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.892 19.450 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.441 19.439 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.016 18.638 -1.802 1.00 0.00 H new ATOM 104 N TRP A 10 -6.471 15.411 -3.752 1.00 0.00 N ATOM 105 CA TRP A 10 -6.968 14.250 -4.481 1.00 0.00 C ATOM 106 C TRP A 10 -6.404 14.215 -5.898 1.00 0.00 C ATOM 107 O TRP A 10 -5.689 15.127 -6.315 1.00 0.00 O ATOM 108 CB TRP A 10 -8.496 14.267 -4.528 1.00 0.00 C ATOM 109 CG TRP A 10 -9.133 14.078 -3.185 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.794 15.022 -2.451 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.169 12.871 -2.415 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.237 14.474 -1.271 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.868 13.156 -1.225 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.680 11.577 -2.616 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.087 12.194 -0.243 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.899 10.624 -1.640 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.598 10.936 -0.466 1.00 0.00 C ATOM 0 H TRP A 10 -7.147 16.169 -3.654 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.638 13.354 -3.956 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.829 15.215 -4.950 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.841 13.481 -5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.946 16.048 -2.753 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.757 14.969 -0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.141 11.327 -3.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.624 12.432 0.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.525 9.621 -1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.754 10.168 0.277 1.00 0.00 H new ATOM 128 N LYS A 11 -6.730 13.158 -6.634 1.00 0.00 N ATOM 129 CA LYS A 11 -6.258 13.005 -8.005 1.00 0.00 C ATOM 130 C LYS A 11 -7.101 11.983 -8.760 1.00 0.00 C ATOM 131 O LYS A 11 -7.670 11.059 -8.176 1.00 0.00 O ATOM 132 CB LYS A 11 -4.788 12.577 -8.015 1.00 0.00 C ATOM 133 CG LYS A 11 -4.534 11.259 -7.305 1.00 0.00 C ATOM 134 CD LYS A 11 -3.170 10.690 -7.658 1.00 0.00 C ATOM 135 CE LYS A 11 -3.242 9.785 -8.878 1.00 0.00 C ATOM 136 NZ LYS A 11 -3.029 10.541 -10.143 1.00 0.00 N ATOM 0 H LYS A 11 -7.320 12.394 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.353 13.969 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.449 12.495 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.188 13.356 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.600 11.407 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.310 10.543 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.473 11.506 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.778 10.128 -6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.490 9.000 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.214 9.293 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.589 9.918 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.944 10.881 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.405 11.353 -9.961 1.00 0.00 H new ATOM 150 N PRO A 12 -7.184 12.148 -10.088 1.00 0.00 N ATOM 151 CA PRO A 12 -7.954 11.247 -10.951 1.00 0.00 C ATOM 152 C PRO A 12 -7.317 9.867 -11.064 1.00 0.00 C ATOM 153 O PRO A 12 -6.390 9.663 -11.846 1.00 0.00 O ATOM 154 CB PRO A 12 -7.938 11.956 -12.308 1.00 0.00 C ATOM 155 CG PRO A 12 -6.709 12.798 -12.281 1.00 0.00 C ATOM 156 CD PRO A 12 -6.532 13.226 -10.850 1.00 0.00 C ATOM 0 HA PRO A 12 -8.955 11.066 -10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.909 11.239 -13.129 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.832 12.564 -12.447 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.843 12.236 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.814 13.662 -12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.479 13.323 -10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.999 14.192 -10.659 1.00 0.00 H new ATOM 164 N GLY A 13 -7.821 8.921 -10.277 1.00 0.00 N ATOM 165 CA GLY A 13 -7.288 7.571 -10.305 1.00 0.00 C ATOM 166 C GLY A 13 -7.003 7.032 -8.918 1.00 0.00 C ATOM 167 O GLY A 13 -6.154 6.156 -8.747 1.00 0.00 O ATOM 0 H GLY A 13 -8.589 9.065 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.997 6.914 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.370 7.558 -10.892 1.00 0.00 H new ATOM 171 N ASP A 14 -7.712 7.555 -7.924 1.00 0.00 N ATOM 172 CA ASP A 14 -7.530 7.122 -6.544 1.00 0.00 C ATOM 173 C ASP A 14 -8.873 6.816 -5.889 1.00 0.00 C ATOM 174 O ASP A 14 -9.776 7.652 -5.884 1.00 0.00 O ATOM 175 CB ASP A 14 -6.790 8.194 -5.742 1.00 0.00 C ATOM 176 CG ASP A 14 -5.284 8.033 -5.811 1.00 0.00 C ATOM 177 OD1 ASP A 14 -4.700 8.358 -6.865 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.690 7.580 -4.810 1.00 0.00 O ATOM 0 H ASP A 14 -8.419 8.280 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.933 6.210 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.065 9.179 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.110 8.150 -4.701 1.00 0.00 H new ATOM 183 N GLU A 15 -8.997 5.612 -5.338 1.00 0.00 N ATOM 184 CA GLU A 15 -10.231 5.196 -4.683 1.00 0.00 C ATOM 185 C GLU A 15 -10.448 5.973 -3.387 1.00 0.00 C ATOM 186 O GLU A 15 -9.515 6.173 -2.608 1.00 0.00 O ATOM 187 CB GLU A 15 -10.198 3.694 -4.390 1.00 0.00 C ATOM 188 CG GLU A 15 -9.057 3.276 -3.478 1.00 0.00 C ATOM 189 CD GLU A 15 -7.800 2.913 -4.245 1.00 0.00 C ATOM 190 OE1 GLU A 15 -7.849 1.958 -5.047 1.00 0.00 O ATOM 191 OE2 GLU A 15 -6.768 3.586 -4.042 1.00 0.00 O ATOM 0 H GLU A 15 -8.258 4.909 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.060 5.409 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.143 3.401 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.117 3.151 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.834 4.088 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.371 2.422 -2.877 1.00 0.00 H new ATOM 198 N CYS A 16 -11.683 6.407 -3.165 1.00 0.00 N ATOM 199 CA CYS A 16 -12.023 7.164 -1.964 1.00 0.00 C ATOM 200 C CYS A 16 -13.482 6.944 -1.578 1.00 0.00 C ATOM 201 O CYS A 16 -14.185 6.144 -2.197 1.00 0.00 O ATOM 202 CB CYS A 16 -11.760 8.654 -2.184 1.00 0.00 C ATOM 203 SG CYS A 16 -12.794 9.405 -3.463 1.00 0.00 S ATOM 0 H CYS A 16 -12.466 6.248 -3.800 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.393 6.808 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.921 9.183 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.712 8.791 -2.452 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.970 9.665 -2.973 1.00 0.00 H new ATOM 209 N PHE A 17 -13.930 7.657 -0.551 1.00 0.00 N ATOM 210 CA PHE A 17 -15.305 7.538 -0.079 1.00 0.00 C ATOM 211 C PHE A 17 -16.057 8.854 -0.258 1.00 0.00 C ATOM 212 O PHE A 17 -15.636 9.895 0.246 1.00 0.00 O ATOM 213 CB PHE A 17 -15.328 7.120 1.392 1.00 0.00 C ATOM 214 CG PHE A 17 -15.363 5.632 1.592 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.311 4.837 1.165 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.447 5.027 2.207 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.341 3.468 1.347 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.483 3.658 2.392 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.428 2.877 1.962 1.00 0.00 C ATOM 0 H PHE A 17 -13.361 8.324 -0.029 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.802 6.772 -0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.447 7.525 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.199 7.564 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.458 5.293 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.274 5.633 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.515 2.860 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.335 3.199 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.453 1.807 2.106 1.00 0.00 H new ATOM 229 N ALA A 18 -17.172 8.799 -0.979 1.00 0.00 N ATOM 230 CA ALA A 18 -17.983 9.985 -1.223 1.00 0.00 C ATOM 231 C ALA A 18 -19.330 9.884 -0.515 1.00 0.00 C ATOM 232 O ALA A 18 -19.953 8.822 -0.493 1.00 0.00 O ATOM 233 CB ALA A 18 -18.185 10.188 -2.718 1.00 0.00 C ATOM 0 H ALA A 18 -17.534 7.946 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.453 10.847 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.793 11.077 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.217 10.314 -3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.691 9.319 -3.138 1.00 0.00 H new ATOM 239 N LEU A 19 -19.773 10.994 0.064 1.00 0.00 N ATOM 240 CA LEU A 19 -21.047 11.030 0.774 1.00 0.00 C ATOM 241 C LEU A 19 -22.210 11.180 -0.201 1.00 0.00 C ATOM 242 O LEU A 19 -22.376 12.226 -0.829 1.00 0.00 O ATOM 243 CB LEU A 19 -21.059 12.182 1.781 1.00 0.00 C ATOM 244 CG LEU A 19 -21.911 11.970 3.033 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.235 10.990 3.979 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.169 13.297 3.733 1.00 0.00 C ATOM 0 H LEU A 19 -19.269 11.881 0.056 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.164 10.087 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.033 12.376 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.413 13.079 1.273 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.869 11.549 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.856 10.852 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.101 10.032 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.262 11.383 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -22.777 13.127 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.219 13.746 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.696 13.969 3.056 1.00 0.00 H new ATOM 258 N TYR A 20 -23.014 10.129 -0.320 1.00 0.00 N ATOM 259 CA TYR A 20 -24.162 10.143 -1.219 1.00 0.00 C ATOM 260 C TYR A 20 -25.008 11.394 -1.001 1.00 0.00 C ATOM 261 O TYR A 20 -25.187 11.847 0.129 1.00 0.00 O ATOM 262 CB TYR A 20 -25.017 8.893 -1.007 1.00 0.00 C ATOM 263 CG TYR A 20 -25.740 8.436 -2.254 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.082 8.364 -3.476 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.081 8.074 -2.210 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.739 7.948 -4.618 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.745 7.655 -3.346 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.070 7.594 -4.548 1.00 0.00 C ATOM 269 OH TYR A 20 -27.728 7.178 -5.682 1.00 0.00 O ATOM 0 H TYR A 20 -22.892 9.257 0.195 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.790 10.151 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.380 8.084 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.749 9.092 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.039 8.638 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.613 8.121 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.213 7.900 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.787 7.376 -3.294 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.659 6.965 -5.461 1.00 0.00 H new ATOM 279 N TRP A 21 -25.526 11.946 -2.093 1.00 0.00 N ATOM 280 CA TRP A 21 -26.355 13.144 -2.023 1.00 0.00 C ATOM 281 C TRP A 21 -27.803 12.787 -1.703 1.00 0.00 C ATOM 282 O TRP A 21 -28.663 13.663 -1.623 1.00 0.00 O ATOM 283 CB TRP A 21 -26.286 13.914 -3.342 1.00 0.00 C ATOM 284 CG TRP A 21 -26.837 13.149 -4.507 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.146 12.321 -5.345 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.195 13.142 -4.962 1.00 0.00 C ATOM 287 NE1 TRP A 21 -26.992 11.800 -6.294 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.255 12.287 -6.080 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.366 13.772 -4.533 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.439 12.050 -6.773 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.540 13.536 -5.221 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.570 12.680 -6.331 1.00 0.00 C ATOM 0 H TRP A 21 -25.387 11.584 -3.036 1.00 0.00 H new ATOM 0 HA TRP A 21 -25.971 13.775 -1.221 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.837 14.849 -3.238 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.248 14.176 -3.547 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.090 12.107 -5.272 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.724 11.155 -7.037 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.353 14.432 -3.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.464 11.392 -7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.451 14.019 -4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.504 12.515 -6.847 1.00 0.00 H new ATOM 303 N GLU A 22 -28.063 11.497 -1.522 1.00 0.00 N ATOM 304 CA GLU A 22 -29.408 11.026 -1.212 1.00 0.00 C ATOM 305 C GLU A 22 -29.449 10.363 0.161 1.00 0.00 C ATOM 306 O GLU A 22 -30.439 10.471 0.885 1.00 0.00 O ATOM 307 CB GLU A 22 -29.887 10.040 -2.281 1.00 0.00 C ATOM 308 CG GLU A 22 -30.577 10.708 -3.458 1.00 0.00 C ATOM 309 CD GLU A 22 -32.004 11.112 -3.145 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.256 11.563 -2.008 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.869 10.978 -4.036 1.00 0.00 O ATOM 0 H GLU A 22 -27.361 10.759 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.073 11.889 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.033 9.470 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.574 9.327 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.010 11.591 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.574 10.028 -4.310 1.00 0.00 H new ATOM 318 N ASP A 23 -28.368 9.676 0.513 1.00 0.00 N ATOM 319 CA ASP A 23 -28.279 8.995 1.799 1.00 0.00 C ATOM 320 C ASP A 23 -27.380 9.766 2.761 1.00 0.00 C ATOM 321 O ASP A 23 -27.602 9.764 3.971 1.00 0.00 O ATOM 322 CB ASP A 23 -27.746 7.574 1.613 1.00 0.00 C ATOM 323 CG ASP A 23 -28.753 6.662 0.939 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.563 7.166 0.133 1.00 0.00 O ATOM 325 OD2 ASP A 23 -28.731 5.445 1.217 1.00 0.00 O ATOM 0 H ASP A 23 -27.540 9.576 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.281 8.946 2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.834 7.606 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.478 7.159 2.585 1.00 0.00 H new ATOM 330 N ASN A 24 -26.363 10.424 2.214 1.00 0.00 N ATOM 331 CA ASN A 24 -25.429 11.198 3.024 1.00 0.00 C ATOM 332 C ASN A 24 -24.526 10.279 3.841 1.00 0.00 C ATOM 333 O ASN A 24 -24.068 10.642 4.924 1.00 0.00 O ATOM 334 CB ASN A 24 -26.191 12.143 3.955 1.00 0.00 C ATOM 335 CG ASN A 24 -27.357 12.822 3.263 1.00 0.00 C ATOM 336 OD1 ASN A 24 -28.508 12.417 3.422 1.00 0.00 O ATOM 337 ND2 ASN A 24 -27.062 13.860 2.489 1.00 0.00 N ATOM 0 H ASN A 24 -26.165 10.437 1.214 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.805 11.787 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.559 11.583 4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.507 12.901 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -27.805 14.357 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -26.093 14.161 2.387 1.00 0.00 H new ATOM 344 N LYS A 25 -24.272 9.086 3.313 1.00 0.00 N ATOM 345 CA LYS A 25 -23.423 8.114 3.991 1.00 0.00 C ATOM 346 C LYS A 25 -22.170 7.821 3.171 1.00 0.00 C ATOM 347 O LYS A 25 -22.246 7.595 1.963 1.00 0.00 O ATOM 348 CB LYS A 25 -24.196 6.817 4.242 1.00 0.00 C ATOM 349 CG LYS A 25 -25.345 6.975 5.223 1.00 0.00 C ATOM 350 CD LYS A 25 -25.952 5.631 5.590 1.00 0.00 C ATOM 351 CE LYS A 25 -25.196 4.970 6.732 1.00 0.00 C ATOM 352 NZ LYS A 25 -26.026 3.949 7.429 1.00 0.00 N ATOM 0 H LYS A 25 -24.642 8.769 2.417 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.119 8.539 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.587 6.447 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.508 6.061 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -24.989 7.473 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.112 7.615 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.995 5.767 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.942 4.976 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -24.292 4.500 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -24.880 5.730 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.475 3.522 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -26.877 4.401 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -26.307 3.210 6.753 1.00 0.00 H new ATOM 366 N PHE A 26 -21.020 7.824 3.835 1.00 0.00 N ATOM 367 CA PHE A 26 -19.751 7.558 3.167 1.00 0.00 C ATOM 368 C PHE A 26 -19.783 6.208 2.457 1.00 0.00 C ATOM 369 O PHE A 26 -19.872 5.160 3.097 1.00 0.00 O ATOM 370 CB PHE A 26 -18.602 7.588 4.178 1.00 0.00 C ATOM 371 CG PHE A 26 -18.341 8.953 4.747 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.025 10.016 3.916 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.411 9.174 6.113 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.783 11.273 4.438 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.171 10.429 6.640 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.857 11.480 5.801 1.00 0.00 C ATOM 0 H PHE A 26 -20.940 8.008 4.835 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.591 8.337 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.828 6.900 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.695 7.224 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.967 9.861 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.656 8.356 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.536 12.093 3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.229 10.588 7.707 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.670 12.462 6.210 1.00 0.00 H new ATOM 386 N TYR A 27 -19.709 6.242 1.131 1.00 0.00 N ATOM 387 CA TYR A 27 -19.732 5.022 0.333 1.00 0.00 C ATOM 388 C TYR A 27 -18.504 4.937 -0.569 1.00 0.00 C ATOM 389 O TYR A 27 -17.989 5.955 -1.031 1.00 0.00 O ATOM 390 CB TYR A 27 -21.005 4.966 -0.514 1.00 0.00 C ATOM 391 CG TYR A 27 -22.267 4.795 0.301 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.329 3.871 1.337 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.398 5.558 0.035 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.480 3.711 2.084 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.553 5.406 0.778 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.589 4.481 1.800 1.00 0.00 C ATOM 397 OH TYR A 27 -25.738 4.326 2.542 1.00 0.00 O ATOM 0 H TYR A 27 -19.633 7.101 0.586 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.719 4.172 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.082 5.882 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.925 4.141 -1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.462 3.267 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.374 6.282 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.512 2.988 2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.423 6.008 0.560 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.425 4.944 2.215 1.00 0.00 H new ATOM 407 N ARG A 28 -18.042 3.716 -0.814 1.00 0.00 N ATOM 408 CA ARG A 28 -16.874 3.496 -1.659 1.00 0.00 C ATOM 409 C ARG A 28 -17.034 4.205 -3.001 1.00 0.00 C ATOM 410 O ARG A 28 -18.115 4.208 -3.588 1.00 0.00 O ATOM 411 CB ARG A 28 -16.655 1.999 -1.884 1.00 0.00 C ATOM 412 CG ARG A 28 -15.198 1.622 -2.100 1.00 0.00 C ATOM 413 CD ARG A 28 -14.808 1.726 -3.566 1.00 0.00 C ATOM 414 NE ARG A 28 -13.550 1.039 -3.847 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.901 1.136 -5.002 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.389 1.889 -5.978 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.761 0.481 -5.181 1.00 0.00 N ATOM 0 H ARG A 28 -18.458 2.863 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.004 3.910 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.040 1.451 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.236 1.682 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.560 2.275 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.028 0.604 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.599 1.300 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.718 2.776 -3.844 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.148 0.452 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.264 2.395 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.889 1.962 -6.864 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.382 -0.098 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.264 0.556 -6.068 1.00 0.00 H new ATOM 431 N ALA A 29 -15.949 4.805 -3.480 1.00 0.00 N ATOM 432 CA ALA A 29 -15.968 5.516 -4.752 1.00 0.00 C ATOM 433 C ALA A 29 -14.558 5.687 -5.307 1.00 0.00 C ATOM 434 O ALA A 29 -13.587 5.219 -4.713 1.00 0.00 O ATOM 435 CB ALA A 29 -16.642 6.871 -4.590 1.00 0.00 C ATOM 0 H ALA A 29 -15.046 4.813 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.540 4.921 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.649 7.391 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.667 6.729 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.094 7.465 -3.859 1.00 0.00 H new ATOM 441 N GLU A 30 -14.454 6.359 -6.449 1.00 0.00 N ATOM 442 CA GLU A 30 -13.161 6.590 -7.083 1.00 0.00 C ATOM 443 C GLU A 30 -13.123 7.957 -7.760 1.00 0.00 C ATOM 444 O GLU A 30 -14.010 8.299 -8.543 1.00 0.00 O ATOM 445 CB GLU A 30 -12.868 5.492 -8.109 1.00 0.00 C ATOM 446 CG GLU A 30 -11.394 5.353 -8.447 1.00 0.00 C ATOM 447 CD GLU A 30 -11.069 4.028 -9.108 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.763 3.663 -10.080 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.121 3.355 -8.653 1.00 0.00 O ATOM 0 H GLU A 30 -15.248 6.753 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.395 6.567 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.235 4.540 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.423 5.703 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.099 6.167 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.805 5.454 -7.535 1.00 0.00 H new ATOM 456 N VAL A 31 -12.090 8.735 -7.453 1.00 0.00 N ATOM 457 CA VAL A 31 -11.936 10.064 -8.031 1.00 0.00 C ATOM 458 C VAL A 31 -11.872 9.998 -9.553 1.00 0.00 C ATOM 459 O VAL A 31 -10.840 9.649 -10.125 1.00 0.00 O ATOM 460 CB VAL A 31 -10.667 10.761 -7.505 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.526 12.147 -8.116 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.693 10.839 -5.986 1.00 0.00 C ATOM 0 H VAL A 31 -11.347 8.467 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.810 10.642 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.800 10.170 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.624 12.624 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.458 12.061 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.395 12.750 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.789 11.334 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.567 11.406 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.742 9.832 -5.571 1.00 0.00 H new ATOM 472 N GLU A 32 -12.982 10.335 -10.202 1.00 0.00 N ATOM 473 CA GLU A 32 -13.052 10.312 -11.658 1.00 0.00 C ATOM 474 C GLU A 32 -12.303 11.500 -12.257 1.00 0.00 C ATOM 475 O GLU A 32 -11.394 11.329 -13.068 1.00 0.00 O ATOM 476 CB GLU A 32 -14.510 10.329 -12.122 1.00 0.00 C ATOM 477 CG GLU A 32 -14.727 9.662 -13.469 1.00 0.00 C ATOM 478 CD GLU A 32 -13.994 10.366 -14.594 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.231 11.576 -14.792 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.181 9.707 -15.276 1.00 0.00 O ATOM 0 H GLU A 32 -13.845 10.627 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.579 9.393 -12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.126 9.829 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.853 11.362 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.393 8.626 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.794 9.642 -13.692 1.00 0.00 H new ATOM 487 N ALA A 33 -12.693 12.704 -11.850 1.00 0.00 N ATOM 488 CA ALA A 33 -12.059 13.919 -12.344 1.00 0.00 C ATOM 489 C ALA A 33 -12.295 15.087 -11.393 1.00 0.00 C ATOM 490 O ALA A 33 -13.418 15.315 -10.940 1.00 0.00 O ATOM 491 CB ALA A 33 -12.575 14.256 -13.735 1.00 0.00 C ATOM 0 H ALA A 33 -13.445 12.863 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.985 13.741 -12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.093 15.166 -14.091 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.349 13.435 -14.416 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.654 14.409 -13.696 1.00 0.00 H new ATOM 497 N LEU A 34 -11.232 15.824 -11.092 1.00 0.00 N ATOM 498 CA LEU A 34 -11.323 16.970 -10.194 1.00 0.00 C ATOM 499 C LEU A 34 -11.614 18.250 -10.971 1.00 0.00 C ATOM 500 O LEU A 34 -11.419 18.309 -12.185 1.00 0.00 O ATOM 501 CB LEU A 34 -10.025 17.125 -9.400 1.00 0.00 C ATOM 502 CG LEU A 34 -9.484 15.855 -8.742 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.986 15.972 -8.507 1.00 0.00 C ATOM 504 CD2 LEU A 34 -10.212 15.580 -7.434 1.00 0.00 C ATOM 0 H LEU A 34 -10.296 15.648 -11.457 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.146 16.793 -9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.259 17.518 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.185 17.873 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.660 15.016 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.619 15.059 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.479 16.120 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.785 16.821 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.814 14.673 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.068 16.420 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.276 15.451 -7.630 1.00 0.00 H new ATOM 516 N HIS A 35 -12.080 19.274 -10.262 1.00 0.00 N ATOM 517 CA HIS A 35 -12.394 20.554 -10.885 1.00 0.00 C ATOM 518 C HIS A 35 -11.157 21.444 -10.952 1.00 0.00 C ATOM 519 O HIS A 35 -10.132 21.147 -10.338 1.00 0.00 O ATOM 520 CB HIS A 35 -13.505 21.263 -10.109 1.00 0.00 C ATOM 521 CG HIS A 35 -14.047 22.471 -10.809 1.00 0.00 C ATOM 522 ND1 HIS A 35 -13.758 23.761 -10.416 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.863 22.581 -11.883 1.00 0.00 C ATOM 524 CE1 HIS A 35 -14.374 24.612 -11.218 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.052 23.921 -12.117 1.00 0.00 N ATOM 0 H HIS A 35 -12.248 19.242 -9.256 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.736 20.361 -11.902 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.319 20.560 -9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.122 21.560 -9.133 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.287 21.766 -12.451 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.331 25.689 -11.150 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.623 24.318 -12.863 1.00 0.00 H new ATOM 534 N SER A 36 -11.259 22.536 -11.703 1.00 0.00 N ATOM 535 CA SER A 36 -10.147 23.467 -11.855 1.00 0.00 C ATOM 536 C SER A 36 -9.859 24.188 -10.541 1.00 0.00 C ATOM 537 O SER A 36 -8.771 24.065 -9.979 1.00 0.00 O ATOM 538 CB SER A 36 -10.454 24.487 -12.953 1.00 0.00 C ATOM 539 OG SER A 36 -9.357 25.360 -13.159 1.00 0.00 O ATOM 0 H SER A 36 -12.101 22.798 -12.216 1.00 0.00 H new ATOM 0 HA SER A 36 -9.263 22.895 -12.137 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.688 23.967 -13.882 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.337 25.065 -12.680 1.00 0.00 H new ATOM 0 HG SER A 36 -9.578 26.001 -13.867 1.00 0.00 H new ATOM 545 N SER A 37 -10.842 24.940 -10.058 1.00 0.00 N ATOM 546 CA SER A 37 -10.695 25.684 -8.813 1.00 0.00 C ATOM 547 C SER A 37 -10.171 24.782 -7.700 1.00 0.00 C ATOM 548 O SER A 37 -9.145 25.069 -7.084 1.00 0.00 O ATOM 549 CB SER A 37 -12.033 26.298 -8.399 1.00 0.00 C ATOM 550 OG SER A 37 -12.359 27.409 -9.216 1.00 0.00 O ATOM 0 H SER A 37 -11.750 25.050 -10.510 1.00 0.00 H new ATOM 0 HA SER A 37 -9.973 26.483 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.819 25.547 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.986 26.611 -7.356 1.00 0.00 H new ATOM 0 HG SER A 37 -13.219 27.783 -8.932 1.00 0.00 H new ATOM 556 N GLY A 38 -10.884 23.688 -7.447 1.00 0.00 N ATOM 557 CA GLY A 38 -10.476 22.760 -6.409 1.00 0.00 C ATOM 558 C GLY A 38 -11.475 22.689 -5.271 1.00 0.00 C ATOM 559 O GLY A 38 -11.100 22.774 -4.102 1.00 0.00 O ATOM 0 H GLY A 38 -11.737 23.428 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.351 21.767 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.504 23.061 -6.018 1.00 0.00 H new ATOM 563 N MET A 39 -12.750 22.533 -5.613 1.00 0.00 N ATOM 564 CA MET A 39 -13.805 22.451 -4.610 1.00 0.00 C ATOM 565 C MET A 39 -14.524 21.108 -4.686 1.00 0.00 C ATOM 566 O MET A 39 -14.585 20.368 -3.703 1.00 0.00 O ATOM 567 CB MET A 39 -14.808 23.591 -4.800 1.00 0.00 C ATOM 568 CG MET A 39 -14.254 24.957 -4.429 1.00 0.00 C ATOM 569 SD MET A 39 -13.782 25.067 -2.693 1.00 0.00 S ATOM 570 CE MET A 39 -15.119 26.067 -2.042 1.00 0.00 C ATOM 0 H MET A 39 -13.077 22.461 -6.576 1.00 0.00 H new ATOM 0 HA MET A 39 -13.345 22.542 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.131 23.610 -5.841 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.692 23.390 -4.195 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.386 25.174 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 39 -15.002 25.719 -4.647 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.969 26.224 -0.974 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.134 27.030 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.068 25.556 -2.204 1.00 0.00 H new ATOM 580 N THR A 40 -15.067 20.797 -5.859 1.00 0.00 N ATOM 581 CA THR A 40 -15.782 19.544 -6.062 1.00 0.00 C ATOM 582 C THR A 40 -15.014 18.618 -6.998 1.00 0.00 C ATOM 583 O THR A 40 -14.030 19.022 -7.617 1.00 0.00 O ATOM 584 CB THR A 40 -17.189 19.787 -6.640 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.093 20.480 -7.889 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.040 20.594 -5.671 1.00 0.00 C ATOM 0 H THR A 40 -15.025 21.397 -6.683 1.00 0.00 H new ATOM 0 HA THR A 40 -15.875 19.072 -5.084 1.00 0.00 H new ATOM 0 HB THR A 40 -17.665 18.819 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.992 20.629 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.029 20.753 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.136 20.050 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.566 21.558 -5.486 1.00 0.00 H new ATOM 594 N ALA A 41 -15.470 17.374 -7.098 1.00 0.00 N ATOM 595 CA ALA A 41 -14.827 16.391 -7.961 1.00 0.00 C ATOM 596 C ALA A 41 -15.782 15.254 -8.305 1.00 0.00 C ATOM 597 O ALA A 41 -16.511 14.759 -7.445 1.00 0.00 O ATOM 598 CB ALA A 41 -13.571 15.846 -7.297 1.00 0.00 C ATOM 0 H ALA A 41 -16.283 17.023 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.547 16.888 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.101 15.113 -7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.875 16.663 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.836 15.371 -6.353 1.00 0.00 H new ATOM 604 N VAL A 42 -15.775 14.842 -9.569 1.00 0.00 N ATOM 605 CA VAL A 42 -16.641 13.762 -10.027 1.00 0.00 C ATOM 606 C VAL A 42 -16.133 12.409 -9.544 1.00 0.00 C ATOM 607 O VAL A 42 -15.103 11.919 -10.005 1.00 0.00 O ATOM 608 CB VAL A 42 -16.746 13.740 -11.564 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.713 12.657 -12.017 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.174 15.102 -12.088 1.00 0.00 C ATOM 0 H VAL A 42 -15.179 15.240 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.629 13.948 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.763 13.511 -11.975 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.775 12.656 -13.105 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.358 11.685 -11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.700 12.852 -11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.243 15.068 -13.175 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.146 15.363 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.440 15.852 -11.794 1.00 0.00 H new ATOM 620 N VAL A 43 -16.865 11.807 -8.610 1.00 0.00 N ATOM 621 CA VAL A 43 -16.490 10.508 -8.064 1.00 0.00 C ATOM 622 C VAL A 43 -17.474 9.427 -8.496 1.00 0.00 C ATOM 623 O VAL A 43 -18.678 9.666 -8.586 1.00 0.00 O ATOM 624 CB VAL A 43 -16.426 10.544 -6.526 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.395 11.560 -6.058 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.796 10.855 -5.943 1.00 0.00 C ATOM 0 H VAL A 43 -17.721 12.199 -8.216 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.501 10.272 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.120 9.561 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.364 11.571 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.414 11.288 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.668 12.550 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.732 10.876 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.134 11.826 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.505 10.086 -6.250 1.00 0.00 H new ATOM 636 N LYS A 44 -16.953 8.234 -8.763 1.00 0.00 N ATOM 637 CA LYS A 44 -17.784 7.112 -9.184 1.00 0.00 C ATOM 638 C LYS A 44 -17.940 6.097 -8.056 1.00 0.00 C ATOM 639 O LYS A 44 -16.952 5.618 -7.498 1.00 0.00 O ATOM 640 CB LYS A 44 -17.177 6.434 -10.414 1.00 0.00 C ATOM 641 CG LYS A 44 -18.059 5.350 -11.008 1.00 0.00 C ATOM 642 CD LYS A 44 -17.510 4.848 -12.333 1.00 0.00 C ATOM 643 CE LYS A 44 -16.468 3.760 -12.128 1.00 0.00 C ATOM 644 NZ LYS A 44 -15.809 3.375 -13.407 1.00 0.00 N ATOM 0 H LYS A 44 -15.958 8.019 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.770 7.499 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.981 7.189 -11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.215 5.999 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.137 4.519 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.067 5.739 -11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.326 4.461 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.067 5.679 -12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.714 4.107 -11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.941 2.883 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.105 2.631 -13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.524 3.019 -14.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.336 4.205 -13.818 1.00 0.00 H new ATOM 658 N PHE A 45 -19.185 5.771 -7.726 1.00 0.00 N ATOM 659 CA PHE A 45 -19.470 4.812 -6.666 1.00 0.00 C ATOM 660 C PHE A 45 -19.375 3.381 -7.187 1.00 0.00 C ATOM 661 O PHE A 45 -20.019 3.023 -8.173 1.00 0.00 O ATOM 662 CB PHE A 45 -20.862 5.063 -6.082 1.00 0.00 C ATOM 663 CG PHE A 45 -20.932 6.277 -5.200 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.444 6.237 -3.904 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.486 7.458 -5.667 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.507 7.353 -3.090 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.551 8.577 -4.859 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.062 8.524 -3.568 1.00 0.00 C ATOM 0 H PHE A 45 -20.014 6.158 -8.178 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.725 4.944 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.575 5.175 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.170 4.189 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.009 5.324 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.872 7.504 -6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.123 7.309 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -21.984 9.492 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.114 9.397 -2.934 1.00 0.00 H new ATOM 678 N THR A 46 -18.566 2.566 -6.516 1.00 0.00 N ATOM 679 CA THR A 46 -18.384 1.175 -6.911 1.00 0.00 C ATOM 680 C THR A 46 -19.691 0.398 -6.803 1.00 0.00 C ATOM 681 O THR A 46 -20.004 -0.432 -7.658 1.00 0.00 O ATOM 682 CB THR A 46 -17.314 0.481 -6.048 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.890 -0.734 -6.676 1.00 0.00 O ATOM 684 CG2 THR A 46 -17.853 0.178 -4.658 1.00 0.00 C ATOM 0 H THR A 46 -18.027 2.846 -5.697 1.00 0.00 H new ATOM 0 HA THR A 46 -18.053 1.182 -7.950 1.00 0.00 H new ATOM 0 HB THR A 46 -16.463 1.156 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.209 -1.168 -6.122 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.080 -0.312 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.147 1.108 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.719 -0.479 -4.739 1.00 0.00 H new ATOM 692 N ASP A 47 -20.451 0.671 -5.749 1.00 0.00 N ATOM 693 CA ASP A 47 -21.726 -0.002 -5.530 1.00 0.00 C ATOM 694 C ASP A 47 -22.420 -0.297 -6.856 1.00 0.00 C ATOM 695 O ASP A 47 -22.757 -1.444 -7.150 1.00 0.00 O ATOM 696 CB ASP A 47 -22.634 0.854 -4.645 1.00 0.00 C ATOM 697 CG ASP A 47 -23.580 0.018 -3.806 1.00 0.00 C ATOM 698 OD1 ASP A 47 -23.112 -0.951 -3.173 1.00 0.00 O ATOM 699 OD2 ASP A 47 -24.788 0.333 -3.782 1.00 0.00 O ATOM 0 H ASP A 47 -20.206 1.354 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.527 -0.948 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.020 1.471 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.212 1.533 -5.272 1.00 0.00 H new ATOM 704 N TYR A 48 -22.630 0.745 -7.652 1.00 0.00 N ATOM 705 CA TYR A 48 -23.286 0.598 -8.946 1.00 0.00 C ATOM 706 C TYR A 48 -22.395 1.116 -10.071 1.00 0.00 C ATOM 707 O TYR A 48 -22.303 0.506 -11.135 1.00 0.00 O ATOM 708 CB TYR A 48 -24.621 1.346 -8.952 1.00 0.00 C ATOM 709 CG TYR A 48 -25.406 1.194 -7.669 1.00 0.00 C ATOM 710 CD1 TYR A 48 -26.216 0.085 -7.455 1.00 0.00 C ATOM 711 CD2 TYR A 48 -25.340 2.159 -6.672 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.936 -0.058 -6.285 1.00 0.00 C ATOM 713 CE2 TYR A 48 -26.055 2.024 -5.498 1.00 0.00 C ATOM 714 CZ TYR A 48 -26.852 0.914 -5.309 1.00 0.00 C ATOM 715 OH TYR A 48 -27.567 0.776 -4.142 1.00 0.00 O ATOM 0 H TYR A 48 -22.356 1.701 -7.424 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.470 -0.463 -9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.434 2.405 -9.130 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.226 0.985 -9.783 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -26.284 -0.678 -8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -24.719 3.030 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -27.561 -0.926 -6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -25.990 2.783 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 48 -26.957 0.547 -3.410 1.00 0.00 H new ATOM 725 N GLY A 49 -21.740 2.246 -9.826 1.00 0.00 N ATOM 726 CA GLY A 49 -20.864 2.828 -10.826 1.00 0.00 C ATOM 727 C GLY A 49 -21.434 4.096 -11.430 1.00 0.00 C ATOM 728 O GLY A 49 -21.365 4.300 -12.641 1.00 0.00 O ATOM 0 H GLY A 49 -21.800 2.769 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.897 3.048 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.687 2.100 -11.618 1.00 0.00 H new ATOM 732 N ASN A 50 -22.001 4.949 -10.583 1.00 0.00 N ATOM 733 CA ASN A 50 -22.588 6.204 -11.041 1.00 0.00 C ATOM 734 C ASN A 50 -21.775 7.397 -10.547 1.00 0.00 C ATOM 735 O ASN A 50 -21.318 7.420 -9.404 1.00 0.00 O ATOM 736 CB ASN A 50 -24.034 6.321 -10.554 1.00 0.00 C ATOM 737 CG ASN A 50 -24.214 5.794 -9.144 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.453 4.603 -8.941 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.101 6.680 -8.162 1.00 0.00 N ATOM 0 H ASN A 50 -22.067 4.795 -9.577 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.577 6.206 -12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.343 7.366 -10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.688 5.771 -11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.213 6.384 -7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.902 7.657 -8.377 1.00 0.00 H new ATOM 746 N TYR A 51 -21.599 8.385 -11.417 1.00 0.00 N ATOM 747 CA TYR A 51 -20.840 9.581 -11.071 1.00 0.00 C ATOM 748 C TYR A 51 -21.709 10.576 -10.308 1.00 0.00 C ATOM 749 O TYR A 51 -22.849 10.839 -10.687 1.00 0.00 O ATOM 750 CB TYR A 51 -20.281 10.239 -12.334 1.00 0.00 C ATOM 751 CG TYR A 51 -19.549 9.278 -13.243 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.294 8.788 -12.903 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.112 8.860 -14.443 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.622 7.910 -13.732 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.448 7.982 -15.277 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.203 7.510 -14.917 1.00 0.00 C ATOM 757 OH TYR A 51 -17.536 6.636 -15.745 1.00 0.00 O ATOM 0 H TYR A 51 -21.971 8.382 -12.367 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.012 9.282 -10.428 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.100 10.698 -12.888 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.602 11.042 -12.046 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.836 9.098 -11.975 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.086 9.228 -14.728 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.647 7.539 -13.453 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.901 7.667 -16.205 1.00 0.00 H new ATOM 0 HH TYR A 51 -18.083 6.455 -16.538 1.00 0.00 H new ATOM 767 N GLU A 52 -21.159 11.128 -9.230 1.00 0.00 N ATOM 768 CA GLU A 52 -21.883 12.094 -8.413 1.00 0.00 C ATOM 769 C GLU A 52 -20.984 13.267 -8.033 1.00 0.00 C ATOM 770 O GLU A 52 -19.865 13.075 -7.558 1.00 0.00 O ATOM 771 CB GLU A 52 -22.426 11.422 -7.150 1.00 0.00 C ATOM 772 CG GLU A 52 -23.818 10.839 -7.321 1.00 0.00 C ATOM 773 CD GLU A 52 -24.785 11.816 -7.962 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.684 13.027 -7.671 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.643 11.371 -8.753 1.00 0.00 O ATOM 0 H GLU A 52 -20.215 10.922 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.719 12.475 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.743 10.628 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.444 12.151 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.758 9.939 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.204 10.538 -6.347 1.00 0.00 H new ATOM 782 N GLU A 53 -21.483 14.481 -8.245 1.00 0.00 N ATOM 783 CA GLU A 53 -20.724 15.684 -7.925 1.00 0.00 C ATOM 784 C GLU A 53 -20.708 15.934 -6.420 1.00 0.00 C ATOM 785 O GLU A 53 -21.688 16.412 -5.848 1.00 0.00 O ATOM 786 CB GLU A 53 -21.319 16.895 -8.647 1.00 0.00 C ATOM 787 CG GLU A 53 -20.504 18.166 -8.475 1.00 0.00 C ATOM 788 CD GLU A 53 -21.091 19.342 -9.233 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.966 20.033 -8.672 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.672 19.571 -10.387 1.00 0.00 O ATOM 0 H GLU A 53 -22.408 14.657 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.698 15.536 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.404 16.669 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.329 17.068 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.445 18.415 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.485 17.989 -8.819 1.00 0.00 H new ATOM 797 N VAL A 54 -19.588 15.605 -5.783 1.00 0.00 N ATOM 798 CA VAL A 54 -19.443 15.793 -4.345 1.00 0.00 C ATOM 799 C VAL A 54 -18.220 16.644 -4.022 1.00 0.00 C ATOM 800 O VAL A 54 -17.219 16.609 -4.739 1.00 0.00 O ATOM 801 CB VAL A 54 -19.324 14.444 -3.611 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.724 14.593 -2.151 1.00 0.00 C ATOM 803 CG2 VAL A 54 -20.174 13.387 -4.300 1.00 0.00 C ATOM 0 H VAL A 54 -18.768 15.207 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.341 16.307 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.284 14.121 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.634 13.630 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.070 15.318 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.756 14.938 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -20.078 12.440 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.218 13.701 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.836 13.262 -5.329 1.00 0.00 H new ATOM 813 N LEU A 55 -18.306 17.408 -2.939 1.00 0.00 N ATOM 814 CA LEU A 55 -17.206 18.269 -2.520 1.00 0.00 C ATOM 815 C LEU A 55 -16.032 17.441 -2.007 1.00 0.00 C ATOM 816 O LEU A 55 -16.219 16.368 -1.432 1.00 0.00 O ATOM 817 CB LEU A 55 -17.675 19.237 -1.433 1.00 0.00 C ATOM 818 CG LEU A 55 -18.321 20.533 -1.922 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.342 21.035 -0.912 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.260 21.593 -2.182 1.00 0.00 C ATOM 0 H LEU A 55 -19.127 17.449 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.874 18.840 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.389 18.717 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.819 19.494 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.838 20.327 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.791 21.958 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.119 20.283 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.848 21.224 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.738 22.509 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.715 21.796 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.566 21.235 -2.943 1.00 0.00 H new ATOM 832 N LEU A 56 -14.821 17.946 -2.218 1.00 0.00 N ATOM 833 CA LEU A 56 -13.616 17.254 -1.776 1.00 0.00 C ATOM 834 C LEU A 56 -13.555 17.185 -0.253 1.00 0.00 C ATOM 835 O LEU A 56 -12.966 16.265 0.314 1.00 0.00 O ATOM 836 CB LEU A 56 -12.371 17.961 -2.315 1.00 0.00 C ATOM 837 CG LEU A 56 -12.356 18.239 -3.819 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.320 19.301 -4.155 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.082 16.960 -4.595 1.00 0.00 C ATOM 0 H LEU A 56 -14.648 18.832 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.647 16.237 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.260 18.909 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.499 17.356 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.338 18.613 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.324 19.486 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.561 20.224 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.332 18.955 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.075 17.177 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.113 16.556 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.861 16.229 -4.378 1.00 0.00 H new ATOM 851 N SER A 57 -14.171 18.164 0.403 1.00 0.00 N ATOM 852 CA SER A 57 -14.186 18.215 1.860 1.00 0.00 C ATOM 853 C SER A 57 -15.077 17.117 2.433 1.00 0.00 C ATOM 854 O SER A 57 -15.040 16.834 3.630 1.00 0.00 O ATOM 855 CB SER A 57 -14.673 19.584 2.339 1.00 0.00 C ATOM 856 OG SER A 57 -16.013 19.816 1.940 1.00 0.00 O ATOM 0 H SER A 57 -14.666 18.932 -0.051 1.00 0.00 H new ATOM 0 HA SER A 57 -13.168 18.055 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.598 19.641 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.029 20.365 1.934 1.00 0.00 H new ATOM 0 HG SER A 57 -16.302 20.696 2.259 1.00 0.00 H new ATOM 862 N ASN A 58 -15.877 16.502 1.569 1.00 0.00 N ATOM 863 CA ASN A 58 -16.779 15.435 1.988 1.00 0.00 C ATOM 864 C ASN A 58 -16.290 14.080 1.484 1.00 0.00 C ATOM 865 O ASN A 58 -17.086 13.171 1.246 1.00 0.00 O ATOM 866 CB ASN A 58 -18.194 15.703 1.473 1.00 0.00 C ATOM 867 CG ASN A 58 -18.775 16.991 2.023 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.242 17.572 2.968 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.876 17.443 1.432 1.00 0.00 N ATOM 0 H ASN A 58 -15.919 16.724 0.574 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.795 15.413 3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.178 15.750 0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.841 14.870 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.313 18.305 1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.284 16.928 0.651 1.00 0.00 H new ATOM 876 N ILE A 59 -14.977 13.953 1.324 1.00 0.00 N ATOM 877 CA ILE A 59 -14.382 12.710 0.850 1.00 0.00 C ATOM 878 C ILE A 59 -13.410 12.139 1.876 1.00 0.00 C ATOM 879 O ILE A 59 -12.631 12.872 2.486 1.00 0.00 O ATOM 880 CB ILE A 59 -13.641 12.913 -0.485 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.438 13.846 -1.399 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.399 11.574 -1.166 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.878 13.941 -2.801 1.00 0.00 C ATOM 0 H ILE A 59 -14.305 14.696 1.516 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.201 12.007 0.698 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.675 13.374 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.469 13.497 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.461 14.842 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.875 11.734 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.794 10.940 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.354 11.087 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.493 14.619 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.857 14.319 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.881 12.953 -3.262 1.00 0.00 H new ATOM 895 N LYS A 60 -13.459 10.824 2.063 1.00 0.00 N ATOM 896 CA LYS A 60 -12.582 10.152 3.013 1.00 0.00 C ATOM 897 C LYS A 60 -11.663 9.164 2.301 1.00 0.00 C ATOM 898 O LYS A 60 -12.083 8.414 1.419 1.00 0.00 O ATOM 899 CB LYS A 60 -13.408 9.423 4.075 1.00 0.00 C ATOM 900 CG LYS A 60 -14.694 10.142 4.445 1.00 0.00 C ATOM 901 CD LYS A 60 -14.444 11.241 5.464 1.00 0.00 C ATOM 902 CE LYS A 60 -14.133 12.567 4.788 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.566 13.727 5.616 1.00 0.00 N ATOM 0 H LYS A 60 -14.098 10.202 1.568 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.966 10.909 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.651 8.425 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.801 9.297 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.143 10.570 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.409 9.426 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.321 11.353 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.614 10.957 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.062 12.636 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.631 12.606 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.336 14.612 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.592 13.676 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.072 13.704 6.531 1.00 0.00 H new ATOM 917 N PRO A 61 -10.380 9.160 2.691 1.00 0.00 N ATOM 918 CA PRO A 61 -9.377 8.267 2.104 1.00 0.00 C ATOM 919 C PRO A 61 -9.601 6.809 2.491 1.00 0.00 C ATOM 920 O PRO A 61 -9.710 6.479 3.672 1.00 0.00 O ATOM 921 CB PRO A 61 -8.059 8.779 2.691 1.00 0.00 C ATOM 922 CG PRO A 61 -8.445 9.439 3.970 1.00 0.00 C ATOM 923 CD PRO A 61 -9.810 10.026 3.737 1.00 0.00 C ATOM 0 HA PRO A 61 -9.408 8.280 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.358 7.962 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.571 9.481 2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.464 8.721 4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.728 10.214 4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.414 10.011 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.751 11.064 3.411 1.00 0.00 H new ATOM 931 N VAL A 62 -9.670 5.939 1.488 1.00 0.00 N ATOM 932 CA VAL A 62 -9.880 4.516 1.724 1.00 0.00 C ATOM 933 C VAL A 62 -8.552 3.772 1.815 1.00 0.00 C ATOM 934 O VAL A 62 -7.587 4.120 1.135 1.00 0.00 O ATOM 935 CB VAL A 62 -10.734 3.882 0.610 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.026 3.987 -0.732 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.053 2.433 0.942 1.00 0.00 C ATOM 0 H VAL A 62 -9.583 6.195 0.504 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.409 4.428 2.673 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.674 4.430 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.645 3.534 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.855 5.036 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.070 3.466 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.657 2.001 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.125 1.869 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.606 2.388 1.880 1.00 0.00 H new ATOM 947 N GLN A 63 -8.511 2.747 2.660 1.00 0.00 N ATOM 948 CA GLN A 63 -7.301 1.954 2.840 1.00 0.00 C ATOM 949 C GLN A 63 -6.603 1.715 1.506 1.00 0.00 C ATOM 950 O GLN A 63 -7.252 1.495 0.483 1.00 0.00 O ATOM 951 CB GLN A 63 -7.636 0.616 3.501 1.00 0.00 C ATOM 952 CG GLN A 63 -7.929 0.727 4.988 1.00 0.00 C ATOM 953 CD GLN A 63 -7.815 -0.603 5.707 1.00 0.00 C ATOM 954 OE1 GLN A 63 -6.762 -1.240 5.695 1.00 0.00 O ATOM 955 NE2 GLN A 63 -8.903 -1.029 6.338 1.00 0.00 N ATOM 0 H GLN A 63 -9.301 2.446 3.230 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.625 2.512 3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.501 0.180 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.803 -0.071 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.238 1.439 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.934 1.126 5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.755 -0.468 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.887 -1.917 6.839 1.00 0.00 H new ATOM 964 N THR A 64 -5.274 1.760 1.522 1.00 0.00 N ATOM 965 CA THR A 64 -4.487 1.551 0.313 1.00 0.00 C ATOM 966 C THR A 64 -3.835 0.173 0.314 1.00 0.00 C ATOM 967 O THR A 64 -2.611 0.056 0.274 1.00 0.00 O ATOM 968 CB THR A 64 -3.393 2.624 0.162 1.00 0.00 C ATOM 969 OG1 THR A 64 -3.865 3.879 0.665 1.00 0.00 O ATOM 970 CG2 THR A 64 -2.983 2.777 -1.295 1.00 0.00 C ATOM 0 H THR A 64 -4.720 1.939 2.360 1.00 0.00 H new ATOM 0 HA THR A 64 -5.175 1.624 -0.529 1.00 0.00 H new ATOM 0 HB THR A 64 -2.522 2.308 0.736 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.163 4.556 0.567 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.209 3.540 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.597 1.828 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.849 3.073 -1.887 1.00 0.00 H new ATOM 978 N GLU A 65 -4.661 -0.868 0.359 1.00 0.00 N ATOM 979 CA GLU A 65 -4.162 -2.238 0.365 1.00 0.00 C ATOM 980 C GLU A 65 -4.263 -2.860 -1.025 1.00 0.00 C ATOM 981 O GLU A 65 -4.674 -4.010 -1.174 1.00 0.00 O ATOM 982 CB GLU A 65 -4.943 -3.085 1.372 1.00 0.00 C ATOM 983 CG GLU A 65 -4.729 -2.664 2.816 1.00 0.00 C ATOM 984 CD GLU A 65 -3.430 -3.193 3.392 1.00 0.00 C ATOM 985 OE1 GLU A 65 -3.287 -4.429 3.497 1.00 0.00 O ATOM 986 OE2 GLU A 65 -2.556 -2.370 3.737 1.00 0.00 O ATOM 0 H GLU A 65 -5.677 -0.789 0.392 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.112 -2.213 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.006 -3.024 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.651 -4.129 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.733 -1.576 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.562 -3.020 3.422 1.00 0.00 H new ATOM 993 N ALA A 66 -3.885 -2.090 -2.040 1.00 0.00 N ATOM 994 CA ALA A 66 -3.931 -2.564 -3.417 1.00 0.00 C ATOM 995 C ALA A 66 -2.621 -3.238 -3.810 1.00 0.00 C ATOM 996 O ALA A 66 -2.164 -3.112 -4.946 1.00 0.00 O ATOM 997 CB ALA A 66 -4.239 -1.412 -4.363 1.00 0.00 C ATOM 0 H ALA A 66 -3.543 -1.135 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.727 -3.304 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.270 -1.781 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.204 -0.977 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.463 -0.651 -4.275 1.00 0.00 H new ATOM 1003 N TRP A 67 -2.021 -3.951 -2.864 1.00 0.00 N ATOM 1004 CA TRP A 67 -0.762 -4.644 -3.112 1.00 0.00 C ATOM 1005 C TRP A 67 -0.918 -5.677 -4.223 1.00 0.00 C ATOM 1006 O TRP A 67 -1.232 -6.839 -3.963 1.00 0.00 O ATOM 1007 CB TRP A 67 -0.268 -5.323 -1.833 1.00 0.00 C ATOM 1008 CG TRP A 67 0.564 -4.425 -0.968 1.00 0.00 C ATOM 1009 CD1 TRP A 67 0.186 -3.231 -0.423 1.00 0.00 C ATOM 1010 CD2 TRP A 67 1.914 -4.650 -0.550 1.00 0.00 C ATOM 1011 NE1 TRP A 67 1.220 -2.700 0.308 1.00 0.00 N ATOM 1012 CE2 TRP A 67 2.292 -3.551 0.247 1.00 0.00 C ATOM 1013 CE3 TRP A 67 2.841 -5.672 -0.769 1.00 0.00 C ATOM 1014 CZ2 TRP A 67 3.556 -3.449 0.822 1.00 0.00 C ATOM 1015 CZ3 TRP A 67 4.095 -5.569 -0.198 1.00 0.00 C ATOM 1016 CH2 TRP A 67 4.443 -4.464 0.591 1.00 0.00 C ATOM 0 H TRP A 67 -2.386 -4.065 -1.918 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.027 -3.905 -3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -1.127 -5.673 -1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.317 -6.203 -2.100 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.784 -2.772 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 67 1.194 -1.815 0.815 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.582 -6.528 -1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.827 -2.598 1.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.819 -6.353 -0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 67 5.431 -4.413 1.025 1.00 0.00 H new ATOM 1027 N VAL A 68 -0.698 -5.247 -5.461 1.00 0.00 N ATOM 1028 CA VAL A 68 -0.813 -6.136 -6.611 1.00 0.00 C ATOM 1029 C VAL A 68 0.489 -6.889 -6.857 1.00 0.00 C ATOM 1030 O VAL A 68 1.519 -6.286 -7.161 1.00 0.00 O ATOM 1031 CB VAL A 68 -1.193 -5.359 -7.885 1.00 0.00 C ATOM 1032 CG1 VAL A 68 -2.704 -5.251 -8.016 1.00 0.00 C ATOM 1033 CG2 VAL A 68 -0.550 -3.980 -7.879 1.00 0.00 C ATOM 0 H VAL A 68 -0.439 -4.288 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.603 -6.850 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.817 -5.907 -8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.952 -4.699 -8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.137 -6.250 -8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.108 -4.727 -7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.829 -3.445 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.894 -3.422 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.534 -4.084 -7.838 1.00 0.00 H new ATOM 1043 N ARG A 69 0.437 -8.210 -6.723 1.00 0.00 N ATOM 1044 CA ARG A 69 1.613 -9.046 -6.930 1.00 0.00 C ATOM 1045 C ARG A 69 1.720 -9.483 -8.388 1.00 0.00 C ATOM 1046 O ARG A 69 0.874 -10.225 -8.888 1.00 0.00 O ATOM 1047 CB ARG A 69 1.558 -10.275 -6.021 1.00 0.00 C ATOM 1048 CG ARG A 69 2.785 -11.167 -6.126 1.00 0.00 C ATOM 1049 CD ARG A 69 2.744 -12.293 -5.106 1.00 0.00 C ATOM 1050 NE ARG A 69 3.220 -11.861 -3.794 1.00 0.00 N ATOM 1051 CZ ARG A 69 4.505 -11.737 -3.483 1.00 0.00 C ATOM 1052 NH1 ARG A 69 5.439 -12.012 -4.384 1.00 0.00 N ATOM 1053 NH2 ARG A 69 4.860 -11.338 -2.268 1.00 0.00 N ATOM 0 H ARG A 69 -0.407 -8.724 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 69 2.495 -8.457 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.445 -9.947 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.672 -10.860 -6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.846 -11.586 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.684 -10.570 -5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.723 -12.664 -5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.356 -13.124 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 69 2.527 -11.643 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.171 -12.320 -5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.425 -11.916 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.145 -11.126 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.847 -11.243 -2.031 1.00 0.00 H new ATOM 1067 N ASP A 70 2.765 -9.018 -9.064 1.00 0.00 N ATOM 1068 CA ASP A 70 2.983 -9.361 -10.465 1.00 0.00 C ATOM 1069 C ASP A 70 2.710 -10.841 -10.711 1.00 0.00 C ATOM 1070 O ASP A 70 2.993 -11.698 -9.873 1.00 0.00 O ATOM 1071 CB ASP A 70 4.415 -9.018 -10.879 1.00 0.00 C ATOM 1072 CG ASP A 70 4.670 -7.524 -10.896 1.00 0.00 C ATOM 1073 OD1 ASP A 70 4.205 -6.832 -9.967 1.00 0.00 O ATOM 1074 OD2 ASP A 70 5.335 -7.046 -11.840 1.00 0.00 O ATOM 0 H ASP A 70 3.474 -8.403 -8.665 1.00 0.00 H new ATOM 0 HA ASP A 70 2.289 -8.777 -11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.113 -9.495 -10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.612 -9.429 -11.869 1.00 0.00 H new ATOM 1079 N PRO A 71 2.145 -11.152 -11.887 1.00 0.00 N ATOM 1080 CA PRO A 71 1.820 -12.529 -12.271 1.00 0.00 C ATOM 1081 C PRO A 71 3.067 -13.366 -12.537 1.00 0.00 C ATOM 1082 O PRO A 71 4.190 -12.903 -12.340 1.00 0.00 O ATOM 1083 CB PRO A 71 1.006 -12.357 -13.556 1.00 0.00 C ATOM 1084 CG PRO A 71 1.456 -11.052 -14.117 1.00 0.00 C ATOM 1085 CD PRO A 71 1.780 -10.182 -12.934 1.00 0.00 C ATOM 0 HA PRO A 71 1.287 -13.057 -11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.191 -13.173 -14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.064 -12.351 -13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.329 -11.182 -14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.676 -10.601 -14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.600 -9.498 -13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.926 -9.573 -12.637 1.00 0.00 H new ATOM 1093 N ASN A 72 2.861 -14.599 -12.988 1.00 0.00 N ATOM 1094 CA ASN A 72 3.969 -15.500 -13.282 1.00 0.00 C ATOM 1095 C ASN A 72 3.954 -15.921 -14.748 1.00 0.00 C ATOM 1096 O ASN A 72 4.209 -17.080 -15.075 1.00 0.00 O ATOM 1097 CB ASN A 72 3.900 -16.737 -12.384 1.00 0.00 C ATOM 1098 CG ASN A 72 2.641 -17.550 -12.617 1.00 0.00 C ATOM 1099 OD1 ASN A 72 1.726 -17.112 -13.314 1.00 0.00 O ATOM 1100 ND2 ASN A 72 2.590 -18.741 -12.032 1.00 0.00 N ATOM 0 H ASN A 72 1.937 -14.997 -13.158 1.00 0.00 H new ATOM 0 HA ASN A 72 4.899 -14.967 -13.085 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.773 -17.364 -12.566 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.942 -16.428 -11.340 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.768 -19.333 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.372 -19.063 -11.463 1.00 0.00 H new ATOM 1107 N SER A 73 3.655 -14.970 -15.628 1.00 0.00 N ATOM 1108 CA SER A 73 3.603 -15.242 -17.060 1.00 0.00 C ATOM 1109 C SER A 73 4.991 -15.574 -17.600 1.00 0.00 C ATOM 1110 O SER A 73 5.966 -14.885 -17.304 1.00 0.00 O ATOM 1111 CB SER A 73 3.027 -14.039 -17.808 1.00 0.00 C ATOM 1112 OG SER A 73 2.654 -14.391 -19.129 1.00 0.00 O ATOM 0 H SER A 73 3.445 -14.005 -15.374 1.00 0.00 H new ATOM 0 HA SER A 73 2.955 -16.104 -17.218 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.159 -13.655 -17.272 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.765 -13.237 -17.836 1.00 0.00 H new ATOM 0 HG SER A 73 2.287 -13.605 -19.586 1.00 0.00 H new ATOM 1118 N GLY A 74 5.071 -16.637 -18.394 1.00 0.00 N ATOM 1119 CA GLY A 74 6.342 -17.044 -18.963 1.00 0.00 C ATOM 1120 C GLY A 74 6.740 -16.198 -20.157 1.00 0.00 C ATOM 1121 O GLY A 74 7.721 -15.455 -20.119 1.00 0.00 O ATOM 0 H GLY A 74 4.278 -17.224 -18.653 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.117 -16.977 -18.199 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.283 -18.089 -19.266 1.00 0.00 H new ATOM 1125 N PRO A 75 5.968 -16.308 -21.248 1.00 0.00 N ATOM 1126 CA PRO A 75 6.227 -15.556 -22.480 1.00 0.00 C ATOM 1127 C PRO A 75 5.953 -14.065 -22.316 1.00 0.00 C ATOM 1128 O PRO A 75 6.234 -13.270 -23.213 1.00 0.00 O ATOM 1129 CB PRO A 75 5.249 -16.172 -23.484 1.00 0.00 C ATOM 1130 CG PRO A 75 4.145 -16.723 -22.649 1.00 0.00 C ATOM 1131 CD PRO A 75 4.784 -17.175 -21.364 1.00 0.00 C ATOM 0 HA PRO A 75 7.271 -15.622 -22.786 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.879 -15.425 -24.186 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.727 -16.954 -24.074 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.383 -15.967 -22.461 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.652 -17.554 -23.153 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.111 -17.052 -20.516 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.060 -18.229 -21.401 1.00 0.00 H new ATOM 1139 N SER A 76 5.403 -13.692 -21.165 1.00 0.00 N ATOM 1140 CA SER A 76 5.088 -12.295 -20.885 1.00 0.00 C ATOM 1141 C SER A 76 4.581 -11.591 -22.140 1.00 0.00 C ATOM 1142 O SER A 76 4.977 -10.463 -22.435 1.00 0.00 O ATOM 1143 CB SER A 76 6.322 -11.571 -20.343 1.00 0.00 C ATOM 1144 OG SER A 76 7.275 -11.349 -21.368 1.00 0.00 O ATOM 0 H SER A 76 5.166 -14.337 -20.411 1.00 0.00 H new ATOM 0 HA SER A 76 4.301 -12.269 -20.132 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.025 -10.618 -19.906 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.772 -12.161 -19.545 1.00 0.00 H new ATOM 0 HG SER A 76 6.881 -10.782 -22.064 1.00 0.00 H new ATOM 1150 N SER A 77 3.703 -12.265 -22.876 1.00 0.00 N ATOM 1151 CA SER A 77 3.145 -11.707 -24.101 1.00 0.00 C ATOM 1152 C SER A 77 2.582 -10.310 -23.855 1.00 0.00 C ATOM 1153 O SER A 77 2.812 -9.389 -24.637 1.00 0.00 O ATOM 1154 CB SER A 77 2.047 -12.621 -24.650 1.00 0.00 C ATOM 1155 OG SER A 77 1.039 -12.846 -23.680 1.00 0.00 O ATOM 0 H SER A 77 3.363 -13.198 -22.645 1.00 0.00 H new ATOM 0 HA SER A 77 3.948 -11.633 -24.835 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.606 -12.171 -25.540 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.481 -13.573 -24.956 1.00 0.00 H new ATOM 0 HG SER A 77 0.348 -13.431 -24.056 1.00 0.00 H new ATOM 1161 N GLY A 78 1.842 -10.161 -22.760 1.00 0.00 N ATOM 1162 CA GLY A 78 1.257 -8.875 -22.429 1.00 0.00 C ATOM 1163 C GLY A 78 0.445 -8.920 -21.150 1.00 0.00 C ATOM 1164 O GLY A 78 0.827 -8.325 -20.143 1.00 0.00 O ATOM 0 H GLY A 78 1.637 -10.908 -22.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.050 -8.134 -22.327 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.619 -8.547 -23.250 1.00 0.00 H new TER 1168 GLY A 78