USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 849 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot -57:sc= 0.585 USER MOD Set 2.1: A 46 SER OG : rot -86:sc= 0.551 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.12! C(o=-0.57!,f=-5.8!) 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 55:sc= 0.114 USER MOD Single : A 9 TYR OH : rot -173:sc= 0.111 USER MOD Single : A 10 HIS : no HE2:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -5.08! C(o=-8!,f=-5.1!) USER MOD Single : A 13 MET CE :methyl 170:sc= -0.0154 (180deg=-0.183) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.0813 (180deg=0.0171) USER MOD Single : A 30 THR OG1 : rot 75:sc= -2.43! USER MOD Single : A 36 SER OG : rot 180:sc= -1.13 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.954 K(o=-0.95,f=-1.8!) USER MOD Single : A 49 SER OG : rot -71:sc= 0.0702 USER MOD Single : A 51 GLN : amide:sc=-0.00944 X(o=-0.0094,f=-0.024) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -24:sc= 1.87 USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -163:sc= -6.31! (180deg=-7.44!) USER MOD Single : A 69 CYS SG : rot 37:sc= -0.24 USER MOD Single : A 74 TYR OH : rot -49:sc= 0.0706 USER MOD Single : A 75 THR OG1 : rot 151:sc= 1.35 USER MOD Single : A 81 THR OG1 : rot -160:sc= 0 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.919 F(o=-4.9,f=-0.92) USER MOD Single : A 93 LYS NZ :NH3+ -145:sc= 0.0303 (180deg=-0.0257) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 90:sc= -1.72 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 60:sc= -0.195 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.164 1.317 -27.106 1.00 0.00 N ATOM 2 CA GLY A 1 -3.454 0.657 -25.844 1.00 0.00 C ATOM 3 C GLY A 1 -3.347 1.638 -24.675 1.00 0.00 C ATOM 4 O GLY A 1 -4.346 2.217 -24.252 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.243 0.630 -27.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.842 2.091 -27.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.199 1.703 -27.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.457 0.230 -25.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.760 -0.170 -25.694 1.00 0.00 H new ATOM 8 N SER A 2 -2.125 1.794 -24.185 1.00 0.00 N ATOM 9 CA SER A 2 -1.874 2.694 -23.073 1.00 0.00 C ATOM 10 C SER A 2 -0.370 2.793 -22.809 1.00 0.00 C ATOM 11 O SER A 2 0.383 1.880 -23.142 1.00 0.00 O ATOM 12 CB SER A 2 -2.605 2.229 -21.812 1.00 0.00 C ATOM 13 OG SER A 2 -2.617 3.233 -20.801 1.00 0.00 O ATOM 0 H SER A 2 -1.299 1.312 -24.538 1.00 0.00 H new ATOM 0 HA SER A 2 -2.255 3.680 -23.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.630 1.958 -22.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.124 1.330 -21.425 1.00 0.00 H new ATOM 0 HG SER A 2 -3.094 2.898 -20.013 1.00 0.00 H new ATOM 19 N SER A 3 0.021 3.910 -22.213 1.00 0.00 N ATOM 20 CA SER A 3 1.421 4.140 -21.900 1.00 0.00 C ATOM 21 C SER A 3 1.625 4.146 -20.384 1.00 0.00 C ATOM 22 O SER A 3 0.660 4.222 -19.625 1.00 0.00 O ATOM 23 CB SER A 3 1.912 5.456 -22.507 1.00 0.00 C ATOM 24 OG SER A 3 2.542 5.260 -23.770 1.00 0.00 O ATOM 0 H SER A 3 -0.607 4.665 -21.939 1.00 0.00 H new ATOM 0 HA SER A 3 2.006 3.330 -22.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.070 6.138 -22.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.614 5.932 -21.822 1.00 0.00 H new ATOM 0 HG SER A 3 2.840 6.124 -24.125 1.00 0.00 H new ATOM 30 N GLY A 4 2.887 4.064 -19.988 1.00 0.00 N ATOM 31 CA GLY A 4 3.229 4.059 -18.576 1.00 0.00 C ATOM 32 C GLY A 4 2.585 5.243 -17.852 1.00 0.00 C ATOM 33 O GLY A 4 2.213 6.232 -18.481 1.00 0.00 O ATOM 0 H GLY A 4 3.685 4.001 -20.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.897 3.126 -18.121 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.312 4.103 -18.460 1.00 0.00 H new ATOM 37 N SER A 5 2.474 5.103 -16.539 1.00 0.00 N ATOM 38 CA SER A 5 1.882 6.148 -15.722 1.00 0.00 C ATOM 39 C SER A 5 2.032 5.802 -14.239 1.00 0.00 C ATOM 40 O SER A 5 1.626 4.724 -13.806 1.00 0.00 O ATOM 41 CB SER A 5 0.407 6.352 -16.073 1.00 0.00 C ATOM 42 OG SER A 5 0.003 7.709 -15.913 1.00 0.00 O ATOM 0 H SER A 5 2.784 4.281 -16.021 1.00 0.00 H new ATOM 0 HA SER A 5 2.408 7.080 -15.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.233 6.041 -17.103 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.208 5.713 -15.439 1.00 0.00 H new ATOM 0 HG SER A 5 -0.944 7.798 -16.148 1.00 0.00 H new ATOM 48 N SER A 6 2.615 6.736 -13.502 1.00 0.00 N ATOM 49 CA SER A 6 2.823 6.543 -12.077 1.00 0.00 C ATOM 50 C SER A 6 1.963 7.529 -11.284 1.00 0.00 C ATOM 51 O SER A 6 2.484 8.464 -10.678 1.00 0.00 O ATOM 52 CB SER A 6 4.299 6.709 -11.709 1.00 0.00 C ATOM 53 OG SER A 6 4.845 7.920 -12.226 1.00 0.00 O ATOM 0 H SER A 6 2.950 7.628 -13.865 1.00 0.00 H new ATOM 0 HA SER A 6 2.525 5.526 -11.822 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.406 6.697 -10.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.866 5.862 -12.094 1.00 0.00 H new ATOM 0 HG SER A 6 4.301 8.678 -11.927 1.00 0.00 H new ATOM 59 N GLY A 7 0.661 7.287 -11.315 1.00 0.00 N ATOM 60 CA GLY A 7 -0.276 8.142 -10.606 1.00 0.00 C ATOM 61 C GLY A 7 -1.072 7.344 -9.571 1.00 0.00 C ATOM 62 O GLY A 7 -2.278 7.156 -9.721 1.00 0.00 O ATOM 0 H GLY A 7 0.233 6.511 -11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.265 8.948 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.960 8.606 -11.317 1.00 0.00 H new ATOM 66 N TRP A 8 -0.364 6.897 -8.545 1.00 0.00 N ATOM 67 CA TRP A 8 -0.990 6.124 -7.485 1.00 0.00 C ATOM 68 C TRP A 8 -1.108 7.021 -6.252 1.00 0.00 C ATOM 69 O TRP A 8 -2.031 6.867 -5.454 1.00 0.00 O ATOM 70 CB TRP A 8 -0.211 4.835 -7.214 1.00 0.00 C ATOM 71 CG TRP A 8 1.211 4.837 -7.778 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.675 4.180 -8.850 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.344 5.560 -7.251 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.017 4.426 -9.052 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.437 5.292 -8.049 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.441 6.412 -6.137 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.707 5.836 -7.819 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.716 6.948 -5.921 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.827 6.688 -6.715 1.00 0.00 C ATOM 0 H TRP A 8 0.636 7.055 -8.425 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.990 5.804 -7.779 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.164 4.671 -6.137 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.759 3.995 -7.641 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.074 3.538 -9.477 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.595 4.043 -9.800 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.599 6.635 -5.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.548 5.610 -8.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.846 7.610 -5.078 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.779 7.142 -6.481 1.00 0.00 H new ATOM 90 N TYR A 9 -0.161 7.940 -6.134 1.00 0.00 N ATOM 91 CA TYR A 9 -0.147 8.862 -5.012 1.00 0.00 C ATOM 92 C TYR A 9 -1.476 9.612 -4.902 1.00 0.00 C ATOM 93 O TYR A 9 -1.735 10.539 -5.667 1.00 0.00 O ATOM 94 CB TYR A 9 0.969 9.867 -5.305 1.00 0.00 C ATOM 95 CG TYR A 9 1.372 10.718 -4.099 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.351 10.271 -3.235 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.757 11.933 -3.875 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.731 11.072 -2.100 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.137 12.734 -2.741 1.00 0.00 C ATOM 100 CZ TYR A 9 2.105 12.264 -1.909 1.00 0.00 C ATOM 101 OH TYR A 9 2.463 13.020 -0.837 1.00 0.00 O ATOM 0 H TYR A 9 0.603 8.066 -6.798 1.00 0.00 H new ATOM 0 HA TYR A 9 0.009 8.325 -4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.845 9.327 -5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.648 10.527 -6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.832 9.320 -3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.009 12.283 -4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.496 10.734 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.664 13.687 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 9 1.860 13.789 -0.763 1.00 0.00 H new ATOM 111 N HIS A 10 -2.285 9.181 -3.945 1.00 0.00 N ATOM 112 CA HIS A 10 -3.581 9.800 -3.725 1.00 0.00 C ATOM 113 C HIS A 10 -3.415 11.038 -2.841 1.00 0.00 C ATOM 114 O HIS A 10 -4.137 12.021 -3.001 1.00 0.00 O ATOM 115 CB HIS A 10 -4.575 8.789 -3.150 1.00 0.00 C ATOM 116 CG HIS A 10 -4.916 7.660 -4.093 1.00 0.00 C ATOM 117 ND1 HIS A 10 -5.948 7.735 -5.011 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.351 6.428 -4.249 1.00 0.00 C ATOM 119 CE1 HIS A 10 -5.994 6.595 -5.684 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.003 5.786 -5.210 1.00 0.00 N ATOM 0 H HIS A 10 -2.068 8.410 -3.313 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.997 10.130 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.162 8.370 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.492 9.311 -2.878 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.569 8.533 -5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.515 6.041 -3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.693 6.349 -6.470 1.00 0.00 H new ATOM 128 N GLY A 11 -2.461 10.949 -1.926 1.00 0.00 N ATOM 129 CA GLY A 11 -2.191 12.049 -1.016 1.00 0.00 C ATOM 130 C GLY A 11 -2.676 11.722 0.398 1.00 0.00 C ATOM 131 O GLY A 11 -2.545 10.589 0.856 1.00 0.00 O ATOM 0 H GLY A 11 -1.865 10.132 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.121 12.257 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.685 12.952 -1.374 1.00 0.00 H new ATOM 135 N HIS A 12 -3.227 12.736 1.049 1.00 0.00 N ATOM 136 CA HIS A 12 -3.732 12.571 2.401 1.00 0.00 C ATOM 137 C HIS A 12 -4.977 11.683 2.379 1.00 0.00 C ATOM 138 O HIS A 12 -6.092 12.175 2.211 1.00 0.00 O ATOM 139 CB HIS A 12 -3.985 13.931 3.056 1.00 0.00 C ATOM 140 CG HIS A 12 -5.224 13.976 3.918 1.00 0.00 C ATOM 141 ND1 HIS A 12 -5.850 12.996 4.631 1.00 0.00 N flip ATOM 142 CD2 HIS A 12 -5.959 15.132 4.114 1.00 0.00 C flip ATOM 143 CE1 HIS A 12 -6.909 13.525 5.232 1.00 0.00 C flip ATOM 144 NE2 HIS A 12 -6.979 14.849 4.912 1.00 0.00 N flip ATOM 0 H HIS A 12 -3.335 13.675 0.665 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.983 12.071 3.015 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.121 14.196 3.665 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.069 14.688 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.739 16.100 3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.601 12.994 5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.691 15.506 5.231 1.00 0.00 H new ATOM 152 N MET A 13 -4.745 10.390 2.551 1.00 0.00 N ATOM 153 CA MET A 13 -5.835 9.428 2.553 1.00 0.00 C ATOM 154 C MET A 13 -6.037 8.831 3.947 1.00 0.00 C ATOM 155 O MET A 13 -5.105 8.789 4.749 1.00 0.00 O ATOM 156 CB MET A 13 -5.528 8.308 1.557 1.00 0.00 C ATOM 157 CG MET A 13 -6.741 7.394 1.369 1.00 0.00 C ATOM 158 SD MET A 13 -8.126 8.336 0.755 1.00 0.00 S ATOM 159 CE MET A 13 -7.947 8.044 -0.997 1.00 0.00 C ATOM 0 H MET A 13 -3.819 9.986 2.690 1.00 0.00 H new ATOM 0 HA MET A 13 -6.751 9.943 2.263 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.240 8.738 0.598 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.679 7.723 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.498 6.592 0.671 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.002 6.923 2.317 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.830 8.412 -1.519 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.064 8.567 -1.365 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.837 6.975 -1.178 1.00 0.00 H new ATOM 169 N SER A 14 -7.259 8.384 4.192 1.00 0.00 N ATOM 170 CA SER A 14 -7.596 7.791 5.476 1.00 0.00 C ATOM 171 C SER A 14 -7.562 6.265 5.372 1.00 0.00 C ATOM 172 O SER A 14 -8.239 5.682 4.527 1.00 0.00 O ATOM 173 CB SER A 14 -8.971 8.260 5.956 1.00 0.00 C ATOM 174 OG SER A 14 -8.898 9.501 6.653 1.00 0.00 O ATOM 0 H SER A 14 -8.029 8.420 3.524 1.00 0.00 H new ATOM 0 HA SER A 14 -6.856 8.116 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.638 8.363 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.405 7.503 6.609 1.00 0.00 H new ATOM 0 HG SER A 14 -9.796 9.767 6.942 1.00 0.00 H new ATOM 180 N GLY A 15 -6.767 5.662 6.244 1.00 0.00 N ATOM 181 CA GLY A 15 -6.636 4.215 6.261 1.00 0.00 C ATOM 182 C GLY A 15 -7.980 3.540 5.984 1.00 0.00 C ATOM 183 O GLY A 15 -8.140 2.858 4.973 1.00 0.00 O ATOM 0 H GLY A 15 -6.207 6.149 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.907 3.903 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.256 3.892 7.230 1.00 0.00 H new ATOM 187 N GLY A 16 -8.912 3.752 6.902 1.00 0.00 N ATOM 188 CA GLY A 16 -10.238 3.172 6.769 1.00 0.00 C ATOM 189 C GLY A 16 -10.789 3.380 5.357 1.00 0.00 C ATOM 190 O GLY A 16 -11.501 2.524 4.833 1.00 0.00 O ATOM 0 H GLY A 16 -8.775 4.317 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.197 2.106 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.912 3.625 7.496 1.00 0.00 H new ATOM 194 N GLN A 17 -10.439 4.520 4.781 1.00 0.00 N ATOM 195 CA GLN A 17 -10.890 4.851 3.440 1.00 0.00 C ATOM 196 C GLN A 17 -10.264 3.898 2.420 1.00 0.00 C ATOM 197 O GLN A 17 -10.968 3.120 1.778 1.00 0.00 O ATOM 198 CB GLN A 17 -10.570 6.308 3.098 1.00 0.00 C ATOM 199 CG GLN A 17 -11.820 7.043 2.611 1.00 0.00 C ATOM 200 CD GLN A 17 -11.667 8.556 2.780 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.996 9.128 3.807 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.150 9.170 1.720 1.00 0.00 N ATOM 0 H GLN A 17 -9.848 5.227 5.219 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.973 4.733 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.167 6.812 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.799 6.344 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.000 6.807 1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.690 6.697 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.896 8.631 0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.007 10.180 1.735 1.00 0.00 H new ATOM 211 N ALA A 18 -8.947 3.990 2.302 1.00 0.00 N ATOM 212 CA ALA A 18 -8.218 3.145 1.371 1.00 0.00 C ATOM 213 C ALA A 18 -8.842 1.748 1.361 1.00 0.00 C ATOM 214 O ALA A 18 -9.237 1.248 0.309 1.00 0.00 O ATOM 215 CB ALA A 18 -6.738 3.121 1.756 1.00 0.00 C ATOM 0 H ALA A 18 -8.366 4.637 2.836 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.285 3.542 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.191 2.487 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.336 4.133 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.631 2.725 2.766 1.00 0.00 H new ATOM 221 N GLU A 19 -8.910 1.157 2.545 1.00 0.00 N ATOM 222 CA GLU A 19 -9.478 -0.173 2.686 1.00 0.00 C ATOM 223 C GLU A 19 -10.776 -0.283 1.884 1.00 0.00 C ATOM 224 O GLU A 19 -10.969 -1.241 1.137 1.00 0.00 O ATOM 225 CB GLU A 19 -9.713 -0.515 4.158 1.00 0.00 C ATOM 226 CG GLU A 19 -8.542 -1.319 4.728 1.00 0.00 C ATOM 227 CD GLU A 19 -9.025 -2.324 5.776 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.623 -1.862 6.771 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.784 -3.531 5.558 1.00 0.00 O ATOM 0 H GLU A 19 -8.581 1.575 3.415 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.765 -0.896 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.842 0.403 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.635 -1.087 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.032 -1.846 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.815 -0.642 5.176 1.00 0.00 H new ATOM 236 N THR A 20 -11.632 0.712 2.065 1.00 0.00 N ATOM 237 CA THR A 20 -12.907 0.739 1.367 1.00 0.00 C ATOM 238 C THR A 20 -12.697 1.059 -0.114 1.00 0.00 C ATOM 239 O THR A 20 -13.321 0.447 -0.980 1.00 0.00 O ATOM 240 CB THR A 20 -13.816 1.740 2.082 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.544 0.944 3.013 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.894 2.314 1.160 1.00 0.00 C ATOM 0 H THR A 20 -11.468 1.505 2.685 1.00 0.00 H new ATOM 0 HA THR A 20 -13.392 -0.237 1.391 1.00 0.00 H new ATOM 0 HB THR A 20 -13.213 2.553 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.157 1.514 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.512 3.019 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.421 2.828 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.518 1.504 0.782 1.00 0.00 H new ATOM 250 N LEU A 21 -11.816 2.017 -0.361 1.00 0.00 N ATOM 251 CA LEU A 21 -11.516 2.426 -1.722 1.00 0.00 C ATOM 252 C LEU A 21 -11.030 1.213 -2.519 1.00 0.00 C ATOM 253 O LEU A 21 -11.594 0.883 -3.561 1.00 0.00 O ATOM 254 CB LEU A 21 -10.533 3.598 -1.726 1.00 0.00 C ATOM 255 CG LEU A 21 -11.120 4.967 -1.375 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.749 5.373 0.053 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.700 6.023 -2.399 1.00 0.00 C ATOM 0 H LEU A 21 -11.300 2.522 0.359 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.416 2.794 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.732 3.377 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.079 3.662 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.207 4.893 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.179 6.349 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.140 4.635 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.664 5.424 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.131 6.986 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.613 6.103 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.057 5.733 -3.387 1.00 0.00 H new ATOM 269 N LEU A 22 -9.987 0.583 -1.998 1.00 0.00 N ATOM 270 CA LEU A 22 -9.418 -0.586 -2.648 1.00 0.00 C ATOM 271 C LEU A 22 -10.517 -1.629 -2.863 1.00 0.00 C ATOM 272 O LEU A 22 -10.547 -2.299 -3.895 1.00 0.00 O ATOM 273 CB LEU A 22 -8.220 -1.110 -1.854 1.00 0.00 C ATOM 274 CG LEU A 22 -6.907 -0.345 -2.038 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.926 -0.661 -0.907 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.302 -0.619 -3.416 1.00 0.00 C ATOM 0 H LEU A 22 -9.521 0.860 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.029 -0.324 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.478 -1.099 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.053 -2.151 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.123 0.722 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.001 -0.105 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.367 -0.374 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.710 -1.729 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.370 -0.064 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.103 -1.686 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.002 -0.303 -4.190 1.00 0.00 H new ATOM 288 N GLN A 23 -11.391 -1.734 -1.874 1.00 0.00 N ATOM 289 CA GLN A 23 -12.488 -2.684 -1.942 1.00 0.00 C ATOM 290 C GLN A 23 -13.503 -2.248 -3.002 1.00 0.00 C ATOM 291 O GLN A 23 -14.068 -3.084 -3.706 1.00 0.00 O ATOM 292 CB GLN A 23 -13.158 -2.848 -0.577 1.00 0.00 C ATOM 293 CG GLN A 23 -12.318 -3.736 0.343 1.00 0.00 C ATOM 294 CD GLN A 23 -12.939 -3.823 1.739 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.904 -3.149 2.060 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.334 -4.688 2.547 1.00 0.00 N ATOM 0 H GLN A 23 -11.362 -1.177 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.084 -3.655 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.297 -1.870 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.149 -3.284 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.236 -4.735 -0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.306 -3.337 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.530 -5.221 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.673 -4.819 3.500 1.00 0.00 H new ATOM 305 N ALA A 24 -13.702 -0.941 -3.081 1.00 0.00 N ATOM 306 CA ALA A 24 -14.639 -0.384 -4.043 1.00 0.00 C ATOM 307 C ALA A 24 -14.265 -0.861 -5.448 1.00 0.00 C ATOM 308 O ALA A 24 -15.139 -1.161 -6.259 1.00 0.00 O ATOM 309 CB ALA A 24 -14.643 1.141 -3.927 1.00 0.00 C ATOM 0 H ALA A 24 -13.231 -0.251 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.652 -0.729 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.345 1.559 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.943 1.428 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.643 1.524 -4.131 1.00 0.00 H new ATOM 315 N LYS A 25 -12.964 -0.917 -5.692 1.00 0.00 N ATOM 316 CA LYS A 25 -12.463 -1.353 -6.985 1.00 0.00 C ATOM 317 C LYS A 25 -12.580 -2.875 -7.086 1.00 0.00 C ATOM 318 O LYS A 25 -13.203 -3.393 -8.011 1.00 0.00 O ATOM 319 CB LYS A 25 -11.044 -0.829 -7.214 1.00 0.00 C ATOM 320 CG LYS A 25 -10.851 -0.387 -8.666 1.00 0.00 C ATOM 321 CD LYS A 25 -10.854 1.139 -8.780 1.00 0.00 C ATOM 322 CE LYS A 25 -11.127 1.581 -10.219 1.00 0.00 C ATOM 323 NZ LYS A 25 -10.400 2.834 -10.523 1.00 0.00 N ATOM 0 H LYS A 25 -12.241 -0.668 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.067 -0.933 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.850 0.010 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.321 -1.607 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.910 -0.782 -9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.646 -0.803 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.613 1.555 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.893 1.534 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.818 0.797 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.197 1.730 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.915 3.366 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.327 3.411 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.446 2.607 -10.869 1.00 0.00 H new ATOM 337 N GLY A 26 -11.972 -3.549 -6.120 1.00 0.00 N ATOM 338 CA GLY A 26 -12.001 -5.001 -6.089 1.00 0.00 C ATOM 339 C GLY A 26 -10.809 -5.589 -6.846 1.00 0.00 C ATOM 340 O GLY A 26 -10.544 -6.787 -6.760 1.00 0.00 O ATOM 0 H GLY A 26 -11.457 -3.116 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.986 -5.347 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.930 -5.359 -6.532 1.00 0.00 H new ATOM 344 N GLU A 27 -10.121 -4.719 -7.571 1.00 0.00 N ATOM 345 CA GLU A 27 -8.963 -5.137 -8.343 1.00 0.00 C ATOM 346 C GLU A 27 -7.935 -5.812 -7.433 1.00 0.00 C ATOM 347 O GLU A 27 -7.430 -5.196 -6.497 1.00 0.00 O ATOM 348 CB GLU A 27 -8.343 -3.953 -9.087 1.00 0.00 C ATOM 349 CG GLU A 27 -9.071 -3.694 -10.408 1.00 0.00 C ATOM 350 CD GLU A 27 -10.324 -2.844 -10.186 1.00 0.00 C ATOM 351 OE1 GLU A 27 -11.118 -3.224 -9.299 1.00 0.00 O ATOM 352 OE2 GLU A 27 -10.459 -1.833 -10.909 1.00 0.00 O ATOM 0 H GLU A 27 -10.343 -3.726 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.290 -5.861 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.389 -3.062 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.289 -4.152 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.402 -3.187 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.348 -4.643 -10.867 1.00 0.00 H new ATOM 359 N PRO A 28 -7.647 -7.103 -7.750 1.00 0.00 N ATOM 360 CA PRO A 28 -6.688 -7.869 -6.972 1.00 0.00 C ATOM 361 C PRO A 28 -5.255 -7.436 -7.289 1.00 0.00 C ATOM 362 O PRO A 28 -4.894 -7.280 -8.454 1.00 0.00 O ATOM 363 CB PRO A 28 -6.963 -9.321 -7.328 1.00 0.00 C ATOM 364 CG PRO A 28 -7.744 -9.290 -8.631 1.00 0.00 C ATOM 365 CD PRO A 28 -8.226 -7.866 -8.852 1.00 0.00 C ATOM 0 HA PRO A 28 -6.793 -7.710 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.033 -9.878 -7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.534 -9.814 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.115 -9.613 -9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.589 -9.976 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.895 -7.481 -9.817 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.315 -7.811 -8.843 1.00 0.00 H new ATOM 373 N TRP A 29 -4.478 -7.255 -6.231 1.00 0.00 N ATOM 374 CA TRP A 29 -3.093 -6.843 -6.382 1.00 0.00 C ATOM 375 C TRP A 29 -3.079 -5.363 -6.770 1.00 0.00 C ATOM 376 O TRP A 29 -2.308 -4.952 -7.636 1.00 0.00 O ATOM 377 CB TRP A 29 -2.363 -7.732 -7.391 1.00 0.00 C ATOM 378 CG TRP A 29 -2.475 -9.229 -7.096 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.871 -10.206 -7.924 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.168 -9.885 -5.848 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.843 -11.438 -7.302 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.401 -11.236 -6.000 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.708 -9.353 -4.630 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.203 -12.169 -4.974 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.516 -10.298 -3.615 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.746 -11.662 -3.752 1.00 0.00 C ATOM 0 H TRP A 29 -4.781 -7.386 -5.266 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.551 -6.962 -5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.762 -7.537 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.309 -7.454 -7.410 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.174 -10.049 -8.949 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.099 -12.332 -7.721 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.518 -8.299 -4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.393 -13.222 -5.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.164 -9.942 -2.658 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.573 -12.328 -2.919 1.00 0.00 H new ATOM 397 N THR A 30 -3.940 -4.603 -6.110 1.00 0.00 N ATOM 398 CA THR A 30 -4.037 -3.178 -6.374 1.00 0.00 C ATOM 399 C THR A 30 -3.410 -2.379 -5.230 1.00 0.00 C ATOM 400 O THR A 30 -3.884 -2.435 -4.096 1.00 0.00 O ATOM 401 CB THR A 30 -5.509 -2.840 -6.615 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.925 -3.783 -7.600 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.695 -1.483 -7.297 1.00 0.00 C ATOM 0 H THR A 30 -4.577 -4.948 -5.392 1.00 0.00 H new ATOM 0 HA THR A 30 -3.475 -2.903 -7.267 1.00 0.00 H new ATOM 0 HB THR A 30 -6.042 -2.844 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.032 -4.664 -7.185 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.758 -1.293 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.270 -0.699 -6.670 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.190 -1.489 -8.263 1.00 0.00 H new ATOM 411 N PHE A 31 -2.353 -1.655 -5.566 1.00 0.00 N ATOM 412 CA PHE A 31 -1.656 -0.846 -4.581 1.00 0.00 C ATOM 413 C PHE A 31 -1.939 0.643 -4.793 1.00 0.00 C ATOM 414 O PHE A 31 -2.477 1.034 -5.828 1.00 0.00 O ATOM 415 CB PHE A 31 -0.159 -1.100 -4.771 1.00 0.00 C ATOM 416 CG PHE A 31 0.480 -0.255 -5.874 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.313 -0.601 -7.179 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.216 0.842 -5.551 1.00 0.00 C ATOM 419 CE1 PHE A 31 0.906 0.184 -8.203 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.810 1.627 -6.575 1.00 0.00 C ATOM 421 CZ PHE A 31 1.642 1.281 -7.880 1.00 0.00 C ATOM 0 H PHE A 31 -1.962 -1.612 -6.507 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.990 -1.113 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.355 -0.901 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.006 -2.155 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.271 -1.473 -7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.349 1.117 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.772 -0.090 -9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.395 2.498 -6.318 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.093 1.877 -8.659 1.00 0.00 H new ATOM 431 N LEU A 32 -1.565 1.432 -3.797 1.00 0.00 N ATOM 432 CA LEU A 32 -1.773 2.869 -3.862 1.00 0.00 C ATOM 433 C LEU A 32 -0.960 3.547 -2.758 1.00 0.00 C ATOM 434 O LEU A 32 -0.944 3.082 -1.619 1.00 0.00 O ATOM 435 CB LEU A 32 -3.266 3.197 -3.817 1.00 0.00 C ATOM 436 CG LEU A 32 -3.907 3.216 -2.428 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.781 4.599 -1.786 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.361 2.743 -2.489 1.00 0.00 C ATOM 0 H LEU A 32 -1.119 1.104 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.413 3.264 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.417 4.173 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.796 2.469 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.367 2.515 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.244 4.586 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.727 4.860 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.281 5.338 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.793 2.766 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.930 3.401 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.396 1.725 -2.876 1.00 0.00 H new ATOM 450 N VAL A 33 -0.306 4.637 -3.133 1.00 0.00 N ATOM 451 CA VAL A 33 0.507 5.384 -2.188 1.00 0.00 C ATOM 452 C VAL A 33 -0.305 6.561 -1.643 1.00 0.00 C ATOM 453 O VAL A 33 -0.956 7.276 -2.404 1.00 0.00 O ATOM 454 CB VAL A 33 1.816 5.817 -2.851 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.833 6.280 -1.806 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.391 4.693 -3.715 1.00 0.00 C ATOM 0 H VAL A 33 -0.323 5.021 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 33 0.780 4.756 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 33 1.597 6.662 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.754 6.582 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.426 7.126 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.044 5.462 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.321 5.027 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.587 3.820 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.675 4.430 -4.494 1.00 0.00 H new ATOM 466 N ARG A 34 -0.241 6.725 -0.330 1.00 0.00 N ATOM 467 CA ARG A 34 -0.962 7.803 0.325 1.00 0.00 C ATOM 468 C ARG A 34 -0.168 8.319 1.528 1.00 0.00 C ATOM 469 O ARG A 34 0.711 7.627 2.039 1.00 0.00 O ATOM 470 CB ARG A 34 -2.341 7.337 0.796 1.00 0.00 C ATOM 471 CG ARG A 34 -2.228 6.467 2.049 1.00 0.00 C ATOM 472 CD ARG A 34 -3.275 5.352 2.039 1.00 0.00 C ATOM 473 NE ARG A 34 -3.251 4.622 3.327 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.667 5.139 4.491 1.00 0.00 C ATOM 475 NH1 ARG A 34 -4.142 6.391 4.536 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.608 4.404 5.610 1.00 0.00 N ATOM 0 H ARG A 34 0.299 6.130 0.298 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.090 8.605 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.969 8.203 1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.830 6.774 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.230 6.033 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.358 7.085 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.266 5.774 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.077 4.663 1.218 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.896 3.666 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.187 6.950 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.459 6.785 5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.246 3.451 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.925 4.798 6.496 1.00 0.00 H new ATOM 490 N GLU A 35 -0.506 9.530 1.944 1.00 0.00 N ATOM 491 CA GLU A 35 0.164 10.147 3.076 1.00 0.00 C ATOM 492 C GLU A 35 -0.413 9.613 4.389 1.00 0.00 C ATOM 493 O GLU A 35 -1.629 9.579 4.569 1.00 0.00 O ATOM 494 CB GLU A 35 0.059 11.672 3.011 1.00 0.00 C ATOM 495 CG GLU A 35 1.019 12.243 1.966 1.00 0.00 C ATOM 496 CD GLU A 35 0.558 13.624 1.495 1.00 0.00 C ATOM 497 OE1 GLU A 35 -0.674 13.808 1.395 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.449 14.465 1.245 1.00 0.00 O ATOM 0 H GLU A 35 -1.236 10.101 1.517 1.00 0.00 H new ATOM 0 HA GLU A 35 1.222 9.887 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.964 11.960 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.285 12.098 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.021 12.315 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.080 11.566 1.114 1.00 0.00 H new ATOM 505 N SER A 36 0.488 9.209 5.273 1.00 0.00 N ATOM 506 CA SER A 36 0.084 8.679 6.564 1.00 0.00 C ATOM 507 C SER A 36 -0.440 9.808 7.453 1.00 0.00 C ATOM 508 O SER A 36 0.127 10.900 7.475 1.00 0.00 O ATOM 509 CB SER A 36 1.246 7.958 7.251 1.00 0.00 C ATOM 510 OG SER A 36 0.845 6.708 7.806 1.00 0.00 O ATOM 0 H SER A 36 1.496 9.238 5.120 1.00 0.00 H new ATOM 0 HA SER A 36 -0.713 7.954 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.048 7.795 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.650 8.592 8.040 1.00 0.00 H new ATOM 0 HG SER A 36 1.615 6.278 8.234 1.00 0.00 H new ATOM 516 N LEU A 37 -1.516 9.507 8.165 1.00 0.00 N ATOM 517 CA LEU A 37 -2.123 10.483 9.053 1.00 0.00 C ATOM 518 C LEU A 37 -1.596 10.270 10.474 1.00 0.00 C ATOM 519 O LEU A 37 -1.260 11.230 11.165 1.00 0.00 O ATOM 520 CB LEU A 37 -3.648 10.428 8.948 1.00 0.00 C ATOM 521 CG LEU A 37 -4.241 10.810 7.591 1.00 0.00 C ATOM 522 CD1 LEU A 37 -5.735 10.484 7.533 1.00 0.00 C ATOM 523 CD2 LEU A 37 -3.962 12.279 7.265 1.00 0.00 C ATOM 0 H LEU A 37 -1.983 8.600 8.145 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.843 11.494 8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.973 9.417 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.069 11.090 9.705 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.751 10.211 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.131 10.766 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.880 9.415 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.259 11.039 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.394 12.525 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.407 12.913 8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.885 12.447 7.236 1.00 0.00 H new ATOM 535 N SER A 38 -1.542 9.006 10.867 1.00 0.00 N ATOM 536 CA SER A 38 -1.062 8.655 12.193 1.00 0.00 C ATOM 537 C SER A 38 0.450 8.873 12.277 1.00 0.00 C ATOM 538 O SER A 38 1.043 8.735 13.346 1.00 0.00 O ATOM 539 CB SER A 38 -1.409 7.205 12.538 1.00 0.00 C ATOM 540 OG SER A 38 -1.942 7.083 13.854 1.00 0.00 O ATOM 0 H SER A 38 -1.823 8.212 10.291 1.00 0.00 H new ATOM 0 HA SER A 38 -1.557 9.301 12.918 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.132 6.824 11.817 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.515 6.587 12.450 1.00 0.00 H new ATOM 0 HG SER A 38 -2.152 6.143 14.036 1.00 0.00 H new ATOM 546 N GLN A 39 1.032 9.211 11.135 1.00 0.00 N ATOM 547 CA GLN A 39 2.463 9.450 11.066 1.00 0.00 C ATOM 548 C GLN A 39 2.766 10.580 10.081 1.00 0.00 C ATOM 549 O GLN A 39 2.663 10.396 8.869 1.00 0.00 O ATOM 550 CB GLN A 39 3.214 8.173 10.684 1.00 0.00 C ATOM 551 CG GLN A 39 3.521 7.326 11.920 1.00 0.00 C ATOM 552 CD GLN A 39 4.923 6.719 11.835 1.00 0.00 C ATOM 553 OE1 GLN A 39 5.142 5.677 11.240 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.858 7.428 12.462 1.00 0.00 N ATOM 0 H GLN A 39 0.538 9.325 10.250 1.00 0.00 H new ATOM 0 HA GLN A 39 2.809 9.754 12.054 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.617 7.593 9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.143 8.432 10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.441 7.942 12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.782 6.531 12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.607 8.293 12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.826 7.107 12.463 1.00 0.00 H new ATOM 563 N PRO A 40 3.143 11.755 10.652 1.00 0.00 N ATOM 564 CA PRO A 40 3.462 12.915 9.837 1.00 0.00 C ATOM 565 C PRO A 40 4.831 12.759 9.172 1.00 0.00 C ATOM 566 O PRO A 40 5.861 12.839 9.838 1.00 0.00 O ATOM 567 CB PRO A 40 3.396 14.096 10.792 1.00 0.00 C ATOM 568 CG PRO A 40 3.502 13.509 12.190 1.00 0.00 C ATOM 569 CD PRO A 40 3.276 12.009 12.083 1.00 0.00 C ATOM 0 HA PRO A 40 2.768 13.051 9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.207 14.798 10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.463 14.646 10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.482 13.718 12.619 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.762 13.961 12.851 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.111 11.452 12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.380 11.704 12.624 1.00 0.00 H new ATOM 577 N GLY A 41 4.797 12.539 7.866 1.00 0.00 N ATOM 578 CA GLY A 41 6.022 12.371 7.103 1.00 0.00 C ATOM 579 C GLY A 41 6.078 10.987 6.453 1.00 0.00 C ATOM 580 O GLY A 41 6.496 10.853 5.304 1.00 0.00 O ATOM 0 H GLY A 41 3.940 12.473 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.084 13.141 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.883 12.504 7.757 1.00 0.00 H new ATOM 584 N ASP A 42 5.650 9.992 7.217 1.00 0.00 N ATOM 585 CA ASP A 42 5.646 8.623 6.729 1.00 0.00 C ATOM 586 C ASP A 42 4.525 8.456 5.701 1.00 0.00 C ATOM 587 O ASP A 42 3.772 9.393 5.441 1.00 0.00 O ATOM 588 CB ASP A 42 5.394 7.634 7.869 1.00 0.00 C ATOM 589 CG ASP A 42 6.421 7.679 9.002 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.859 8.803 9.328 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.744 6.587 9.518 1.00 0.00 O ATOM 0 H ASP A 42 5.304 10.107 8.170 1.00 0.00 H new ATOM 0 HA ASP A 42 6.620 8.420 6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.406 7.828 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.374 6.625 7.457 1.00 0.00 H new ATOM 596 N PHE A 43 4.451 7.256 5.145 1.00 0.00 N ATOM 597 CA PHE A 43 3.434 6.953 4.152 1.00 0.00 C ATOM 598 C PHE A 43 2.932 5.516 4.301 1.00 0.00 C ATOM 599 O PHE A 43 3.588 4.688 4.931 1.00 0.00 O ATOM 600 CB PHE A 43 4.090 7.112 2.779 1.00 0.00 C ATOM 601 CG PHE A 43 4.658 8.508 2.518 1.00 0.00 C ATOM 602 CD1 PHE A 43 5.922 8.814 2.917 1.00 0.00 C ATOM 603 CD2 PHE A 43 3.899 9.444 1.886 1.00 0.00 C ATOM 604 CE1 PHE A 43 6.449 10.110 2.675 1.00 0.00 C ATOM 605 CE2 PHE A 43 4.426 10.740 1.644 1.00 0.00 C ATOM 606 CZ PHE A 43 5.690 11.046 2.043 1.00 0.00 C ATOM 0 H PHE A 43 5.078 6.482 5.363 1.00 0.00 H new ATOM 0 HA PHE A 43 2.582 7.621 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.893 6.381 2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.355 6.880 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.525 8.071 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.896 9.201 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.452 10.353 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.823 11.483 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.091 12.032 1.858 1.00 0.00 H new ATOM 616 N VAL A 44 1.773 5.263 3.710 1.00 0.00 N ATOM 617 CA VAL A 44 1.176 3.940 3.769 1.00 0.00 C ATOM 618 C VAL A 44 0.956 3.421 2.347 1.00 0.00 C ATOM 619 O VAL A 44 0.618 4.188 1.447 1.00 0.00 O ATOM 620 CB VAL A 44 -0.112 3.984 4.596 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.717 2.587 4.741 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.137 4.620 5.965 1.00 0.00 C ATOM 0 H VAL A 44 1.232 5.952 3.188 1.00 0.00 H new ATOM 0 HA VAL A 44 1.845 3.241 4.270 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.831 4.607 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.631 2.646 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.949 2.187 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.003 1.931 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.794 4.639 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.881 4.036 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.502 5.639 5.832 1.00 0.00 H new ATOM 632 N LEU A 45 1.157 2.120 2.189 1.00 0.00 N ATOM 633 CA LEU A 45 0.985 1.489 0.892 1.00 0.00 C ATOM 634 C LEU A 45 -0.070 0.386 1.002 1.00 0.00 C ATOM 635 O LEU A 45 0.252 -0.755 1.329 1.00 0.00 O ATOM 636 CB LEU A 45 2.330 1.002 0.350 1.00 0.00 C ATOM 637 CG LEU A 45 2.273 0.142 -0.914 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.766 0.954 -2.107 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.629 -0.508 -1.197 1.00 0.00 C ATOM 0 H LEU A 45 1.437 1.487 2.938 1.00 0.00 H new ATOM 0 HA LEU A 45 0.617 2.211 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.953 1.873 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.829 0.430 1.132 1.00 0.00 H new ATOM 0 HG LEU A 45 1.559 -0.664 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.735 0.319 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.765 1.328 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.436 1.794 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.561 -1.114 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.382 0.267 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.911 -1.142 -0.356 1.00 0.00 H new ATOM 651 N SER A 46 -1.308 0.765 0.723 1.00 0.00 N ATOM 652 CA SER A 46 -2.412 -0.177 0.787 1.00 0.00 C ATOM 653 C SER A 46 -2.489 -0.981 -0.512 1.00 0.00 C ATOM 654 O SER A 46 -2.706 -0.417 -1.584 1.00 0.00 O ATOM 655 CB SER A 46 -3.737 0.542 1.045 1.00 0.00 C ATOM 656 OG SER A 46 -3.614 1.541 2.054 1.00 0.00 O ATOM 0 H SER A 46 -1.571 1.712 0.452 1.00 0.00 H new ATOM 0 HA SER A 46 -2.232 -0.858 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.086 1.002 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.492 -0.185 1.345 1.00 0.00 H new ATOM 0 HG SER A 46 -3.741 1.133 2.936 1.00 0.00 H new ATOM 662 N VAL A 47 -2.307 -2.287 -0.375 1.00 0.00 N ATOM 663 CA VAL A 47 -2.354 -3.174 -1.525 1.00 0.00 C ATOM 664 C VAL A 47 -3.494 -4.178 -1.343 1.00 0.00 C ATOM 665 O VAL A 47 -3.632 -4.780 -0.280 1.00 0.00 O ATOM 666 CB VAL A 47 -0.993 -3.844 -1.723 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.083 -4.974 -2.751 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.070 -2.820 -2.126 1.00 0.00 C ATOM 0 H VAL A 47 -2.127 -2.752 0.515 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.560 -2.610 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.693 -4.280 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.102 -5.434 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.795 -5.724 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.416 -4.570 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.028 -3.323 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.222 -2.341 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.163 -2.065 -1.345 1.00 0.00 H new ATOM 678 N LEU A 48 -4.282 -4.327 -2.398 1.00 0.00 N ATOM 679 CA LEU A 48 -5.406 -5.247 -2.368 1.00 0.00 C ATOM 680 C LEU A 48 -4.909 -6.662 -2.673 1.00 0.00 C ATOM 681 O LEU A 48 -4.171 -6.870 -3.635 1.00 0.00 O ATOM 682 CB LEU A 48 -6.515 -4.769 -3.307 1.00 0.00 C ATOM 683 CG LEU A 48 -7.926 -5.264 -2.985 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.359 -4.815 -1.588 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.921 -4.824 -4.061 1.00 0.00 C ATOM 0 H LEU A 48 -4.164 -3.826 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.851 -5.272 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.524 -3.679 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.265 -5.081 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.913 -6.354 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.366 -5.180 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.670 -5.218 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.351 -3.726 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.916 -5.189 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.937 -3.736 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.619 -5.233 -5.025 1.00 0.00 H new ATOM 697 N SER A 49 -5.334 -7.597 -1.836 1.00 0.00 N ATOM 698 CA SER A 49 -4.941 -8.986 -2.004 1.00 0.00 C ATOM 699 C SER A 49 -6.008 -9.738 -2.802 1.00 0.00 C ATOM 700 O SER A 49 -7.165 -9.324 -2.842 1.00 0.00 O ATOM 701 CB SER A 49 -4.715 -9.662 -0.651 1.00 0.00 C ATOM 702 OG SER A 49 -5.934 -10.120 -0.072 1.00 0.00 O ATOM 0 H SER A 49 -5.946 -7.420 -1.040 1.00 0.00 H new ATOM 0 HA SER A 49 -4.000 -9.011 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.034 -10.504 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.232 -8.960 0.029 1.00 0.00 H new ATOM 0 HG SER A 49 -6.464 -9.351 0.225 1.00 0.00 H new ATOM 708 N ASP A 50 -5.581 -10.832 -3.416 1.00 0.00 N ATOM 709 CA ASP A 50 -6.485 -11.646 -4.210 1.00 0.00 C ATOM 710 C ASP A 50 -7.145 -12.693 -3.311 1.00 0.00 C ATOM 711 O ASP A 50 -7.703 -13.674 -3.800 1.00 0.00 O ATOM 712 CB ASP A 50 -5.733 -12.383 -5.320 1.00 0.00 C ATOM 713 CG ASP A 50 -5.005 -13.653 -4.874 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.655 -13.715 -3.676 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.815 -14.532 -5.742 1.00 0.00 O ATOM 0 H ASP A 50 -4.621 -11.173 -3.379 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.229 -10.986 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.441 -12.645 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.006 -11.701 -5.761 1.00 0.00 H new ATOM 720 N GLN A 51 -7.059 -12.449 -2.011 1.00 0.00 N ATOM 721 CA GLN A 51 -7.641 -13.358 -1.039 1.00 0.00 C ATOM 722 C GLN A 51 -8.879 -12.728 -0.397 1.00 0.00 C ATOM 723 O GLN A 51 -8.763 -11.805 0.408 1.00 0.00 O ATOM 724 CB GLN A 51 -6.614 -13.755 0.024 1.00 0.00 C ATOM 725 CG GLN A 51 -5.541 -14.672 -0.566 1.00 0.00 C ATOM 726 CD GLN A 51 -5.757 -16.122 -0.128 1.00 0.00 C ATOM 727 OE1 GLN A 51 -6.854 -16.655 -0.175 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.653 -16.728 0.300 1.00 0.00 N ATOM 0 H GLN A 51 -6.595 -11.635 -1.609 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.948 -14.266 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.147 -12.860 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.116 -14.261 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.563 -14.610 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.555 -14.335 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.767 -16.223 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.693 -17.697 0.615 1.00 0.00 H new ATOM 737 N PRO A 52 -10.065 -13.265 -0.788 1.00 0.00 N ATOM 738 CA PRO A 52 -11.323 -12.766 -0.259 1.00 0.00 C ATOM 739 C PRO A 52 -11.542 -13.241 1.179 1.00 0.00 C ATOM 740 O PRO A 52 -10.768 -14.047 1.694 1.00 0.00 O ATOM 741 CB PRO A 52 -12.384 -13.275 -1.221 1.00 0.00 C ATOM 742 CG PRO A 52 -11.739 -14.421 -1.984 1.00 0.00 C ATOM 743 CD PRO A 52 -10.240 -14.359 -1.739 1.00 0.00 C ATOM 0 HA PRO A 52 -11.350 -11.678 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.269 -13.613 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.706 -12.486 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.141 -15.377 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.955 -14.340 -3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.866 -15.299 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.695 -14.171 -2.664 1.00 0.00 H new ATOM 751 N LYS A 53 -12.599 -12.722 1.786 1.00 0.00 N ATOM 752 CA LYS A 53 -12.929 -13.084 3.154 1.00 0.00 C ATOM 753 C LYS A 53 -13.856 -14.301 3.146 1.00 0.00 C ATOM 754 O LYS A 53 -13.652 -15.246 3.906 1.00 0.00 O ATOM 755 CB LYS A 53 -13.502 -11.879 3.903 1.00 0.00 C ATOM 756 CG LYS A 53 -12.448 -10.782 4.064 1.00 0.00 C ATOM 757 CD LYS A 53 -13.106 -9.423 4.313 1.00 0.00 C ATOM 758 CE LYS A 53 -12.821 -8.928 5.732 1.00 0.00 C ATOM 759 NZ LYS A 53 -13.584 -7.691 6.012 1.00 0.00 N ATOM 0 H LYS A 53 -13.238 -12.054 1.356 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.030 -13.372 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.362 -11.485 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.859 -12.192 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.786 -11.027 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.830 -10.732 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.735 -8.697 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.182 -9.503 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.090 -9.699 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.754 -8.739 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.379 -7.368 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.308 -6.952 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.602 -7.883 5.919 1.00 0.00 H new ATOM 773 N ALA A 54 -14.854 -14.239 2.277 1.00 0.00 N ATOM 774 CA ALA A 54 -15.813 -15.324 2.160 1.00 0.00 C ATOM 775 C ALA A 54 -15.723 -15.929 0.758 1.00 0.00 C ATOM 776 O ALA A 54 -16.032 -17.104 0.564 1.00 0.00 O ATOM 777 CB ALA A 54 -17.216 -14.803 2.482 1.00 0.00 C ATOM 0 H ALA A 54 -15.019 -13.454 1.647 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.587 -16.115 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.935 -15.617 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.234 -14.411 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.479 -14.009 1.782 1.00 0.00 H new ATOM 783 N GLY A 55 -15.300 -15.099 -0.184 1.00 0.00 N ATOM 784 CA GLY A 55 -15.165 -15.538 -1.563 1.00 0.00 C ATOM 785 C GLY A 55 -15.903 -14.592 -2.513 1.00 0.00 C ATOM 786 O GLY A 55 -15.630 -13.393 -2.538 1.00 0.00 O ATOM 0 H GLY A 55 -15.046 -14.125 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.110 -15.581 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.562 -16.548 -1.668 1.00 0.00 H new ATOM 790 N PRO A 56 -16.848 -15.183 -3.293 1.00 0.00 N ATOM 791 CA PRO A 56 -17.627 -14.407 -4.243 1.00 0.00 C ATOM 792 C PRO A 56 -18.690 -13.572 -3.527 1.00 0.00 C ATOM 793 O PRO A 56 -19.637 -14.118 -2.961 1.00 0.00 O ATOM 794 CB PRO A 56 -18.219 -15.432 -5.196 1.00 0.00 C ATOM 795 CG PRO A 56 -18.133 -16.769 -4.477 1.00 0.00 C ATOM 796 CD PRO A 56 -17.198 -16.600 -3.291 1.00 0.00 C ATOM 0 HA PRO A 56 -17.025 -13.679 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.252 -15.186 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.666 -15.457 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -19.120 -17.087 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.760 -17.541 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.685 -16.886 -2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.312 -17.227 -3.393 1.00 0.00 H new ATOM 804 N GLY A 57 -18.499 -12.262 -3.574 1.00 0.00 N ATOM 805 CA GLY A 57 -19.430 -11.346 -2.937 1.00 0.00 C ATOM 806 C GLY A 57 -18.847 -10.789 -1.636 1.00 0.00 C ATOM 807 O GLY A 57 -19.534 -10.088 -0.894 1.00 0.00 O ATOM 0 H GLY A 57 -17.713 -11.813 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.661 -10.526 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.368 -11.861 -2.728 1.00 0.00 H new ATOM 811 N SER A 58 -17.587 -11.121 -1.399 1.00 0.00 N ATOM 812 CA SER A 58 -16.905 -10.663 -0.201 1.00 0.00 C ATOM 813 C SER A 58 -15.766 -9.714 -0.579 1.00 0.00 C ATOM 814 O SER A 58 -15.223 -9.796 -1.679 1.00 0.00 O ATOM 815 CB SER A 58 -16.365 -11.843 0.611 1.00 0.00 C ATOM 816 OG SER A 58 -15.372 -12.573 -0.104 1.00 0.00 O ATOM 0 H SER A 58 -17.020 -11.702 -2.017 1.00 0.00 H new ATOM 0 HA SER A 58 -17.625 -10.129 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.942 -11.476 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.187 -12.509 0.873 1.00 0.00 H new ATOM 0 HG SER A 58 -15.494 -12.435 -1.066 1.00 0.00 H new ATOM 822 N PRO A 59 -15.428 -8.811 0.381 1.00 0.00 N ATOM 823 CA PRO A 59 -14.363 -7.847 0.161 1.00 0.00 C ATOM 824 C PRO A 59 -12.990 -8.515 0.257 1.00 0.00 C ATOM 825 O PRO A 59 -12.767 -9.361 1.122 1.00 0.00 O ATOM 826 CB PRO A 59 -14.578 -6.776 1.217 1.00 0.00 C ATOM 827 CG PRO A 59 -15.465 -7.408 2.278 1.00 0.00 C ATOM 828 CD PRO A 59 -16.048 -8.685 1.697 1.00 0.00 C ATOM 0 HA PRO A 59 -14.388 -7.413 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.629 -6.452 1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.052 -5.893 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.889 -7.626 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.261 -6.722 2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.821 -9.546 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.134 -8.625 1.619 1.00 0.00 H new ATOM 836 N LEU A 60 -12.106 -8.111 -0.643 1.00 0.00 N ATOM 837 CA LEU A 60 -10.761 -8.660 -0.671 1.00 0.00 C ATOM 838 C LEU A 60 -9.918 -7.985 0.413 1.00 0.00 C ATOM 839 O LEU A 60 -9.781 -6.762 0.426 1.00 0.00 O ATOM 840 CB LEU A 60 -10.165 -8.546 -2.075 1.00 0.00 C ATOM 841 CG LEU A 60 -10.666 -9.564 -3.101 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.197 -9.197 -4.511 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.252 -10.984 -2.711 1.00 0.00 C ATOM 0 H LEU A 60 -12.295 -7.409 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.779 -9.726 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.371 -7.545 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.082 -8.641 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.756 -9.536 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.567 -9.937 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.582 -8.213 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.107 -9.180 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.621 -11.688 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.165 -11.045 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.675 -11.232 -1.738 1.00 0.00 H new ATOM 855 N ARG A 61 -9.374 -8.811 1.295 1.00 0.00 N ATOM 856 CA ARG A 61 -8.548 -8.309 2.379 1.00 0.00 C ATOM 857 C ARG A 61 -7.633 -7.190 1.876 1.00 0.00 C ATOM 858 O ARG A 61 -7.249 -7.177 0.707 1.00 0.00 O ATOM 859 CB ARG A 61 -7.692 -9.425 2.982 1.00 0.00 C ATOM 860 CG ARG A 61 -8.123 -9.732 4.418 1.00 0.00 C ATOM 861 CD ARG A 61 -9.469 -10.459 4.443 1.00 0.00 C ATOM 862 NE ARG A 61 -9.658 -11.128 5.750 1.00 0.00 N ATOM 863 CZ ARG A 61 -9.107 -12.305 6.078 1.00 0.00 C ATOM 864 NH1 ARG A 61 -8.330 -12.950 5.197 1.00 0.00 N ATOM 865 NH2 ARG A 61 -9.333 -12.837 7.286 1.00 0.00 N ATOM 0 H ARG A 61 -9.489 -9.824 1.281 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.214 -7.920 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.779 -10.324 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.643 -9.131 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.365 -10.345 4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.196 -8.804 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.278 -9.750 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.510 -11.194 3.639 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.244 -10.664 6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.158 -12.545 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.911 -13.846 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.925 -12.347 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.914 -13.733 7.535 1.00 0.00 H new ATOM 879 N VAL A 62 -7.311 -6.280 2.783 1.00 0.00 N ATOM 880 CA VAL A 62 -6.448 -5.160 2.445 1.00 0.00 C ATOM 881 C VAL A 62 -5.137 -5.280 3.223 1.00 0.00 C ATOM 882 O VAL A 62 -5.125 -5.752 4.359 1.00 0.00 O ATOM 883 CB VAL A 62 -7.179 -3.841 2.704 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.275 -2.645 2.400 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.477 -3.766 1.898 1.00 0.00 C ATOM 0 H VAL A 62 -7.632 -6.295 3.751 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.199 -5.175 1.384 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.439 -3.804 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.819 -1.720 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.391 -2.686 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.970 -2.676 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.977 -2.819 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.249 -3.836 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.131 -4.590 2.184 1.00 0.00 H new ATOM 895 N THR A 63 -4.063 -4.843 2.581 1.00 0.00 N ATOM 896 CA THR A 63 -2.749 -4.895 3.199 1.00 0.00 C ATOM 897 C THR A 63 -2.095 -3.512 3.178 1.00 0.00 C ATOM 898 O THR A 63 -1.866 -2.946 2.111 1.00 0.00 O ATOM 899 CB THR A 63 -1.929 -5.966 2.476 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.329 -7.186 3.094 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.434 -5.865 2.784 1.00 0.00 C ATOM 0 H THR A 63 -4.076 -4.451 1.639 1.00 0.00 H new ATOM 0 HA THR A 63 -2.817 -5.172 4.251 1.00 0.00 H new ATOM 0 HB THR A 63 -2.085 -5.878 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.112 -7.938 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.102 -6.647 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.063 -4.889 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.274 -5.986 3.855 1.00 0.00 H new ATOM 909 N HIS A 64 -1.812 -3.009 4.371 1.00 0.00 N ATOM 910 CA HIS A 64 -1.189 -1.703 4.504 1.00 0.00 C ATOM 911 C HIS A 64 0.309 -1.874 4.766 1.00 0.00 C ATOM 912 O HIS A 64 0.707 -2.336 5.834 1.00 0.00 O ATOM 913 CB HIS A 64 -1.889 -0.874 5.582 1.00 0.00 C ATOM 914 CG HIS A 64 -3.371 -0.698 5.355 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.923 0.483 4.890 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.409 -1.564 5.533 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.235 0.323 4.797 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.535 -0.946 5.197 1.00 0.00 N ATOM 0 H HIS A 64 -2.003 -3.482 5.254 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.299 -1.147 3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.734 -1.350 6.550 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.420 0.109 5.632 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.407 1.332 4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.329 -2.581 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.943 1.067 4.463 1.00 0.00 H new ATOM 926 N ILE A 65 1.098 -1.491 3.773 1.00 0.00 N ATOM 927 CA ILE A 65 2.544 -1.596 3.883 1.00 0.00 C ATOM 928 C ILE A 65 3.113 -0.257 4.355 1.00 0.00 C ATOM 929 O ILE A 65 3.400 0.621 3.542 1.00 0.00 O ATOM 930 CB ILE A 65 3.147 -2.091 2.567 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.672 -3.510 2.246 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.673 -1.988 2.590 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.716 -3.511 1.052 1.00 0.00 C ATOM 0 H ILE A 65 0.764 -1.108 2.889 1.00 0.00 H new ATOM 0 HA ILE A 65 2.816 -2.340 4.631 1.00 0.00 H new ATOM 0 HB ILE A 65 2.793 -1.444 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.531 -4.145 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.173 -3.936 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.076 -2.346 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.965 -0.949 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.066 -2.596 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.394 -4.531 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.846 -2.895 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.226 -3.107 0.177 1.00 0.00 H new ATOM 945 N LYS A 66 3.260 -0.142 5.667 1.00 0.00 N ATOM 946 CA LYS A 66 3.790 1.076 6.257 1.00 0.00 C ATOM 947 C LYS A 66 5.148 1.392 5.628 1.00 0.00 C ATOM 948 O LYS A 66 5.872 0.487 5.216 1.00 0.00 O ATOM 949 CB LYS A 66 3.830 0.959 7.782 1.00 0.00 C ATOM 950 CG LYS A 66 2.674 1.730 8.422 1.00 0.00 C ATOM 951 CD LYS A 66 2.729 1.633 9.948 1.00 0.00 C ATOM 952 CE LYS A 66 1.374 1.209 10.519 1.00 0.00 C ATOM 953 NZ LYS A 66 1.147 1.841 11.838 1.00 0.00 N ATOM 0 H LYS A 66 3.021 -0.872 6.338 1.00 0.00 H new ATOM 0 HA LYS A 66 3.135 1.920 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.776 -0.091 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.779 1.344 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.718 2.776 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.724 1.333 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.493 0.914 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.019 2.596 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.578 1.493 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.338 0.124 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.223 1.543 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.897 1.549 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.161 2.876 11.734 1.00 0.00 H new ATOM 967 N VAL A 67 5.454 2.681 5.574 1.00 0.00 N ATOM 968 CA VAL A 67 6.712 3.128 5.002 1.00 0.00 C ATOM 969 C VAL A 67 7.494 3.916 6.055 1.00 0.00 C ATOM 970 O VAL A 67 6.935 4.777 6.733 1.00 0.00 O ATOM 971 CB VAL A 67 6.452 3.931 3.726 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.742 4.565 3.204 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.797 3.058 2.654 1.00 0.00 C ATOM 0 H VAL A 67 4.852 3.429 5.917 1.00 0.00 H new ATOM 0 HA VAL A 67 7.324 2.274 4.713 1.00 0.00 H new ATOM 0 HB VAL A 67 5.760 4.736 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.529 5.130 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.150 5.235 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.468 3.783 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.623 3.652 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.454 2.223 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.846 2.676 3.027 1.00 0.00 H new ATOM 983 N MET A 68 8.775 3.593 6.160 1.00 0.00 N ATOM 984 CA MET A 68 9.639 4.260 7.119 1.00 0.00 C ATOM 985 C MET A 68 10.525 5.299 6.428 1.00 0.00 C ATOM 986 O MET A 68 11.416 4.947 5.657 1.00 0.00 O ATOM 987 CB MET A 68 10.520 3.224 7.820 1.00 0.00 C ATOM 988 CG MET A 68 9.741 2.495 8.917 1.00 0.00 C ATOM 989 SD MET A 68 10.455 0.885 9.205 1.00 0.00 S ATOM 990 CE MET A 68 9.422 -0.108 8.141 1.00 0.00 C ATOM 0 H MET A 68 9.235 2.878 5.597 1.00 0.00 H new ATOM 0 HA MET A 68 9.013 4.771 7.850 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.890 2.503 7.091 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.391 3.715 8.253 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.759 3.080 9.837 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.696 2.392 8.625 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.520 -1.158 8.416 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.383 0.201 8.252 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.732 0.026 7.105 1.00 0.00 H new ATOM 1000 N CYS A 69 10.249 6.560 6.731 1.00 0.00 N ATOM 1001 CA CYS A 69 11.009 7.653 6.149 1.00 0.00 C ATOM 1002 C CYS A 69 12.110 8.050 7.135 1.00 0.00 C ATOM 1003 O CYS A 69 11.883 8.866 8.028 1.00 0.00 O ATOM 1004 CB CYS A 69 10.111 8.837 5.788 1.00 0.00 C ATOM 1005 SG CYS A 69 9.122 9.340 7.244 1.00 0.00 S ATOM 0 H CYS A 69 9.510 6.848 7.372 1.00 0.00 H new ATOM 0 HA CYS A 69 11.462 7.327 5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.719 9.674 5.445 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.450 8.565 4.965 1.00 0.00 H new ATOM 0 HG CYS A 69 9.844 9.226 8.319 1.00 0.00 H new ATOM 1011 N GLU A 70 13.277 7.456 6.941 1.00 0.00 N ATOM 1012 CA GLU A 70 14.413 7.738 7.801 1.00 0.00 C ATOM 1013 C GLU A 70 15.593 8.251 6.973 1.00 0.00 C ATOM 1014 O GLU A 70 15.973 7.634 5.979 1.00 0.00 O ATOM 1015 CB GLU A 70 14.809 6.501 8.611 1.00 0.00 C ATOM 1016 CG GLU A 70 13.766 6.194 9.687 1.00 0.00 C ATOM 1017 CD GLU A 70 14.293 6.551 11.079 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.142 7.733 11.457 1.00 0.00 O ATOM 1019 OE2 GLU A 70 14.835 5.634 11.733 1.00 0.00 O ATOM 0 H GLU A 70 13.461 6.780 6.200 1.00 0.00 H new ATOM 0 HA GLU A 70 14.124 8.517 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.913 5.644 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.781 6.663 9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.854 6.755 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.504 5.136 9.654 1.00 0.00 H new ATOM 1026 N GLY A 71 16.139 9.375 7.413 1.00 0.00 N ATOM 1027 CA GLY A 71 17.268 9.978 6.724 1.00 0.00 C ATOM 1028 C GLY A 71 16.959 10.181 5.239 1.00 0.00 C ATOM 1029 O GLY A 71 17.830 9.999 4.390 1.00 0.00 O ATOM 0 H GLY A 71 15.821 9.884 8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.509 10.937 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.147 9.342 6.833 1.00 0.00 H new ATOM 1033 N GLY A 72 15.717 10.556 4.972 1.00 0.00 N ATOM 1034 CA GLY A 72 15.282 10.786 3.605 1.00 0.00 C ATOM 1035 C GLY A 72 15.280 9.483 2.803 1.00 0.00 C ATOM 1036 O GLY A 72 15.325 9.506 1.574 1.00 0.00 O ATOM 0 H GLY A 72 14.998 10.706 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.281 11.218 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.941 11.510 3.127 1.00 0.00 H new ATOM 1040 N ARG A 73 15.227 8.378 3.532 1.00 0.00 N ATOM 1041 CA ARG A 73 15.219 7.067 2.905 1.00 0.00 C ATOM 1042 C ARG A 73 13.950 6.303 3.289 1.00 0.00 C ATOM 1043 O ARG A 73 13.604 6.220 4.467 1.00 0.00 O ATOM 1044 CB ARG A 73 16.444 6.250 3.320 1.00 0.00 C ATOM 1045 CG ARG A 73 17.733 6.894 2.805 1.00 0.00 C ATOM 1046 CD ARG A 73 18.221 6.202 1.531 1.00 0.00 C ATOM 1047 NE ARG A 73 19.552 5.598 1.762 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.678 6.304 1.936 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.640 7.643 1.906 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.841 5.671 2.140 1.00 0.00 N ATOM 0 H ARG A 73 15.189 8.363 4.551 1.00 0.00 H new ATOM 0 HA ARG A 73 15.245 7.216 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.482 6.171 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.359 5.236 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.561 7.952 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.505 6.836 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.510 5.432 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.276 6.922 0.714 1.00 0.00 H new ATOM 0 HE ARG A 73 19.617 4.580 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.754 8.125 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.497 8.181 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.870 4.652 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.698 6.208 2.272 1.00 0.00 H new ATOM 1064 N TYR A 74 13.292 5.763 2.274 1.00 0.00 N ATOM 1065 CA TYR A 74 12.070 5.009 2.491 1.00 0.00 C ATOM 1066 C TYR A 74 12.355 3.507 2.545 1.00 0.00 C ATOM 1067 O TYR A 74 13.129 2.988 1.742 1.00 0.00 O ATOM 1068 CB TYR A 74 11.174 5.302 1.286 1.00 0.00 C ATOM 1069 CG TYR A 74 10.716 6.759 1.191 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.280 7.420 2.320 1.00 0.00 C ATOM 1071 CD2 TYR A 74 10.740 7.412 -0.025 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.849 8.791 2.231 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.309 8.783 -0.115 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.885 9.405 1.018 1.00 0.00 C ATOM 1075 OH TYR A 74 9.478 10.700 0.933 1.00 0.00 O ATOM 0 H TYR A 74 13.582 5.833 1.299 1.00 0.00 H new ATOM 0 HA TYR A 74 11.607 5.293 3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.711 5.041 0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.296 4.658 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.262 6.909 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.082 6.894 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.505 9.320 3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.322 9.305 -1.060 1.00 0.00 H new ATOM 0 HH TYR A 74 8.614 10.802 1.385 1.00 0.00 H new ATOM 1085 N THR A 75 11.715 2.849 3.501 1.00 0.00 N ATOM 1086 CA THR A 75 11.890 1.417 3.671 1.00 0.00 C ATOM 1087 C THR A 75 10.671 0.810 4.368 1.00 0.00 C ATOM 1088 O THR A 75 10.000 1.481 5.150 1.00 0.00 O ATOM 1089 CB THR A 75 13.200 1.187 4.427 1.00 0.00 C ATOM 1090 OG1 THR A 75 13.122 -0.171 4.852 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.269 1.982 5.733 1.00 0.00 C ATOM 0 H THR A 75 11.074 3.282 4.166 1.00 0.00 H new ATOM 0 HA THR A 75 11.961 0.910 2.709 1.00 0.00 H new ATOM 0 HB THR A 75 14.040 1.462 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.025 -0.545 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.218 1.783 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.190 3.047 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.448 1.683 6.385 1.00 0.00 H new ATOM 1099 N VAL A 76 10.422 -0.455 4.059 1.00 0.00 N ATOM 1100 CA VAL A 76 9.295 -1.160 4.646 1.00 0.00 C ATOM 1101 C VAL A 76 9.768 -1.928 5.883 1.00 0.00 C ATOM 1102 O VAL A 76 9.010 -2.704 6.463 1.00 0.00 O ATOM 1103 CB VAL A 76 8.638 -2.061 3.598 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.513 -1.338 2.255 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.406 -3.375 3.445 1.00 0.00 C ATOM 0 H VAL A 76 10.981 -1.009 3.410 1.00 0.00 H new ATOM 0 HA VAL A 76 8.531 -0.454 4.973 1.00 0.00 H new ATOM 0 HB VAL A 76 7.633 -2.300 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.043 -2.000 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.903 -0.443 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.504 -1.055 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.918 -3.996 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.429 -3.164 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.419 -3.902 4.399 1.00 0.00 H new ATOM 1115 N GLY A 77 11.018 -1.685 6.248 1.00 0.00 N ATOM 1116 CA GLY A 77 11.601 -2.344 7.405 1.00 0.00 C ATOM 1117 C GLY A 77 12.768 -3.243 6.993 1.00 0.00 C ATOM 1118 O GLY A 77 13.243 -4.053 7.788 1.00 0.00 O ATOM 0 H GLY A 77 11.643 -1.041 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.948 -1.596 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.840 -2.938 7.911 1.00 0.00 H new ATOM 1122 N GLY A 78 13.198 -3.070 5.752 1.00 0.00 N ATOM 1123 CA GLY A 78 14.301 -3.855 5.225 1.00 0.00 C ATOM 1124 C GLY A 78 15.540 -2.984 5.008 1.00 0.00 C ATOM 1125 O GLY A 78 15.497 -1.773 5.222 1.00 0.00 O ATOM 0 H GLY A 78 12.802 -2.397 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.538 -4.665 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.006 -4.316 4.282 1.00 0.00 H new ATOM 1129 N LEU A 79 16.614 -3.634 4.585 1.00 0.00 N ATOM 1130 CA LEU A 79 17.862 -2.933 4.336 1.00 0.00 C ATOM 1131 C LEU A 79 17.679 -1.975 3.157 1.00 0.00 C ATOM 1132 O LEU A 79 17.971 -0.786 3.268 1.00 0.00 O ATOM 1133 CB LEU A 79 19.007 -3.930 4.146 1.00 0.00 C ATOM 1134 CG LEU A 79 20.084 -3.531 3.134 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.590 -2.113 3.404 1.00 0.00 C ATOM 1136 CD2 LEU A 79 21.223 -4.552 3.113 1.00 0.00 C ATOM 0 H LEU A 79 16.646 -4.638 4.408 1.00 0.00 H new ATOM 0 HA LEU A 79 18.137 -2.327 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.486 -4.091 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.583 -4.885 3.837 1.00 0.00 H new ATOM 0 HG LEU A 79 19.636 -3.530 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.354 -1.854 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 19.761 -1.410 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.016 -2.063 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.974 -4.244 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.678 -4.610 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.830 -5.530 2.836 1.00 0.00 H new ATOM 1148 N GLU A 80 17.196 -2.530 2.055 1.00 0.00 N ATOM 1149 CA GLU A 80 16.970 -1.740 0.857 1.00 0.00 C ATOM 1150 C GLU A 80 16.159 -0.487 1.192 1.00 0.00 C ATOM 1151 O GLU A 80 15.270 -0.527 2.041 1.00 0.00 O ATOM 1152 CB GLU A 80 16.274 -2.570 -0.224 1.00 0.00 C ATOM 1153 CG GLU A 80 17.062 -3.846 -0.527 1.00 0.00 C ATOM 1154 CD GLU A 80 16.767 -4.350 -1.941 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.807 -5.140 -2.074 1.00 0.00 O ATOM 1156 OE2 GLU A 80 17.507 -3.933 -2.858 1.00 0.00 O ATOM 0 H GLU A 80 16.955 -3.517 1.967 1.00 0.00 H new ATOM 0 HA GLU A 80 17.938 -1.428 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.267 -2.829 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.171 -1.977 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.129 -3.652 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.805 -4.617 0.199 1.00 0.00 H new ATOM 1163 N THR A 81 16.495 0.597 0.509 1.00 0.00 N ATOM 1164 CA THR A 81 15.809 1.860 0.724 1.00 0.00 C ATOM 1165 C THR A 81 15.424 2.493 -0.615 1.00 0.00 C ATOM 1166 O THR A 81 15.610 1.886 -1.669 1.00 0.00 O ATOM 1167 CB THR A 81 16.714 2.750 1.578 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.023 2.498 1.076 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.779 2.290 3.036 1.00 0.00 C ATOM 0 H THR A 81 17.233 0.627 -0.194 1.00 0.00 H new ATOM 0 HA THR A 81 14.871 1.714 1.261 1.00 0.00 H new ATOM 0 HB THR A 81 16.355 3.778 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.687 2.766 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.434 2.955 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.779 2.313 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.170 1.273 3.080 1.00 0.00 H new ATOM 1177 N PHE A 82 14.895 3.704 -0.530 1.00 0.00 N ATOM 1178 CA PHE A 82 14.482 4.426 -1.722 1.00 0.00 C ATOM 1179 C PHE A 82 14.428 5.932 -1.460 1.00 0.00 C ATOM 1180 O PHE A 82 14.062 6.363 -0.367 1.00 0.00 O ATOM 1181 CB PHE A 82 13.079 3.932 -2.081 1.00 0.00 C ATOM 1182 CG PHE A 82 12.893 2.421 -1.926 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.364 1.576 -2.882 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.257 1.923 -0.832 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.192 0.174 -2.738 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.084 0.521 -0.688 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.555 -0.324 -1.644 1.00 0.00 C ATOM 0 H PHE A 82 14.743 4.204 0.346 1.00 0.00 H new ATOM 0 HA PHE A 82 15.194 4.250 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.352 4.444 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.859 4.211 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.869 1.972 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.883 2.594 -0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.567 -0.497 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.578 0.126 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.423 -1.390 -1.535 1.00 0.00 H new ATOM 1197 N ASP A 83 14.798 6.692 -2.480 1.00 0.00 N ATOM 1198 CA ASP A 83 14.796 8.141 -2.374 1.00 0.00 C ATOM 1199 C ASP A 83 13.374 8.662 -2.586 1.00 0.00 C ATOM 1200 O ASP A 83 12.990 9.681 -2.014 1.00 0.00 O ATOM 1201 CB ASP A 83 15.695 8.773 -3.439 1.00 0.00 C ATOM 1202 CG ASP A 83 15.368 8.375 -4.880 1.00 0.00 C ATOM 1203 OD1 ASP A 83 15.665 7.213 -5.229 1.00 0.00 O ATOM 1204 OD2 ASP A 83 14.828 9.243 -5.599 1.00 0.00 O ATOM 0 H ASP A 83 15.101 6.331 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 83 15.168 8.407 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.627 9.858 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.729 8.501 -3.228 1.00 0.00 H new ATOM 1209 N SER A 84 12.630 7.939 -3.411 1.00 0.00 N ATOM 1210 CA SER A 84 11.258 8.315 -3.706 1.00 0.00 C ATOM 1211 C SER A 84 10.347 7.090 -3.609 1.00 0.00 C ATOM 1212 O SER A 84 10.816 5.956 -3.683 1.00 0.00 O ATOM 1213 CB SER A 84 11.147 8.950 -5.094 1.00 0.00 C ATOM 1214 OG SER A 84 9.847 9.479 -5.337 1.00 0.00 O ATOM 0 H SER A 84 12.952 7.095 -3.884 1.00 0.00 H new ATOM 0 HA SER A 84 10.941 9.055 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.886 9.746 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.383 8.205 -5.853 1.00 0.00 H new ATOM 0 HG SER A 84 9.818 9.877 -6.232 1.00 0.00 H new ATOM 1220 N LEU A 85 9.060 7.361 -3.444 1.00 0.00 N ATOM 1221 CA LEU A 85 8.079 6.295 -3.335 1.00 0.00 C ATOM 1222 C LEU A 85 8.034 5.514 -4.650 1.00 0.00 C ATOM 1223 O LEU A 85 7.672 4.338 -4.665 1.00 0.00 O ATOM 1224 CB LEU A 85 6.722 6.857 -2.907 1.00 0.00 C ATOM 1225 CG LEU A 85 6.424 6.819 -1.407 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.213 5.382 -0.926 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.517 7.535 -0.612 1.00 0.00 C ATOM 0 H LEU A 85 8.674 8.303 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 85 8.367 5.591 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.657 7.891 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.941 6.302 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 85 5.493 7.358 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.003 5.383 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.372 4.939 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.113 4.798 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.280 7.493 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.475 7.047 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.575 8.576 -0.930 1.00 0.00 H new ATOM 1239 N THR A 86 8.406 6.198 -5.721 1.00 0.00 N ATOM 1240 CA THR A 86 8.412 5.583 -7.037 1.00 0.00 C ATOM 1241 C THR A 86 9.451 4.462 -7.097 1.00 0.00 C ATOM 1242 O THR A 86 9.139 3.343 -7.502 1.00 0.00 O ATOM 1243 CB THR A 86 8.647 6.685 -8.073 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.621 7.637 -7.805 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.358 6.217 -9.501 1.00 0.00 C ATOM 0 H THR A 86 8.706 7.173 -5.705 1.00 0.00 H new ATOM 0 HA THR A 86 7.455 5.109 -7.256 1.00 0.00 H new ATOM 0 HB THR A 86 9.678 7.032 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.746 7.199 -7.859 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.540 7.036 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.010 5.379 -9.748 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.317 5.901 -9.577 1.00 0.00 H new ATOM 1253 N ASP A 87 10.665 4.800 -6.687 1.00 0.00 N ATOM 1254 CA ASP A 87 11.751 3.836 -6.689 1.00 0.00 C ATOM 1255 C ASP A 87 11.437 2.718 -5.693 1.00 0.00 C ATOM 1256 O ASP A 87 12.097 1.680 -5.690 1.00 0.00 O ATOM 1257 CB ASP A 87 13.068 4.489 -6.265 1.00 0.00 C ATOM 1258 CG ASP A 87 14.075 4.708 -7.396 1.00 0.00 C ATOM 1259 OD1 ASP A 87 13.611 4.973 -8.526 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.286 4.605 -7.105 1.00 0.00 O ATOM 0 H ASP A 87 10.920 5.729 -6.351 1.00 0.00 H new ATOM 0 HA ASP A 87 11.851 3.444 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.847 5.452 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.534 3.869 -5.499 1.00 0.00 H new ATOM 1265 N LEU A 88 10.428 2.967 -4.871 1.00 0.00 N ATOM 1266 CA LEU A 88 10.017 1.994 -3.873 1.00 0.00 C ATOM 1267 C LEU A 88 8.925 1.098 -4.460 1.00 0.00 C ATOM 1268 O LEU A 88 9.022 -0.127 -4.397 1.00 0.00 O ATOM 1269 CB LEU A 88 9.606 2.697 -2.578 1.00 0.00 C ATOM 1270 CG LEU A 88 9.155 1.785 -1.434 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.489 2.404 -0.076 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.669 1.444 -1.559 1.00 0.00 C ATOM 0 H LEU A 88 9.883 3.829 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 88 10.852 1.346 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.448 3.295 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.796 3.390 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 88 9.707 0.848 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.158 1.736 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.566 2.554 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.981 3.364 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.374 0.795 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.081 2.361 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.491 0.932 -2.505 1.00 0.00 H new ATOM 1284 N VAL A 89 7.911 1.743 -5.017 1.00 0.00 N ATOM 1285 CA VAL A 89 6.801 1.019 -5.614 1.00 0.00 C ATOM 1286 C VAL A 89 7.306 0.228 -6.823 1.00 0.00 C ATOM 1287 O VAL A 89 7.075 -0.976 -6.921 1.00 0.00 O ATOM 1288 CB VAL A 89 5.671 1.989 -5.965 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.603 1.302 -6.817 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.058 2.596 -4.701 1.00 0.00 C ATOM 0 H VAL A 89 7.834 2.759 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 89 6.387 0.302 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 89 6.097 2.801 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.812 2.014 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.052 0.940 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.182 0.461 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.257 3.282 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.654 1.801 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.825 3.138 -4.149 1.00 0.00 H new ATOM 1300 N GLU A 90 7.986 0.937 -7.712 1.00 0.00 N ATOM 1301 CA GLU A 90 8.525 0.316 -8.910 1.00 0.00 C ATOM 1302 C GLU A 90 9.533 -0.773 -8.536 1.00 0.00 C ATOM 1303 O GLU A 90 9.926 -1.576 -9.380 1.00 0.00 O ATOM 1304 CB GLU A 90 9.161 1.359 -9.830 1.00 0.00 C ATOM 1305 CG GLU A 90 8.119 2.369 -10.317 1.00 0.00 C ATOM 1306 CD GLU A 90 8.564 3.028 -11.624 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.488 3.866 -11.551 1.00 0.00 O ATOM 1308 OE2 GLU A 90 7.970 2.679 -12.667 1.00 0.00 O ATOM 0 H GLU A 90 8.176 1.936 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 90 7.704 -0.148 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.957 1.880 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.620 0.863 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.163 1.867 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.963 3.133 -9.555 1.00 0.00 H new ATOM 1315 N HIS A 91 9.923 -0.763 -7.269 1.00 0.00 N ATOM 1316 CA HIS A 91 10.878 -1.740 -6.773 1.00 0.00 C ATOM 1317 C HIS A 91 10.139 -3.010 -6.347 1.00 0.00 C ATOM 1318 O HIS A 91 10.501 -4.111 -6.759 1.00 0.00 O ATOM 1319 CB HIS A 91 11.729 -1.145 -5.650 1.00 0.00 C ATOM 1320 CG HIS A 91 12.463 -2.174 -4.824 1.00 0.00 C ATOM 1321 ND1 HIS A 91 12.159 -2.727 -3.614 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.657 -2.746 -5.226 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 13.115 -3.591 -3.296 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 14.045 -3.604 -4.294 1.00 0.00 N flip ATOM 0 H HIS A 91 9.595 -0.094 -6.572 1.00 0.00 H new ATOM 0 HA HIS A 91 11.570 -2.014 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.455 -0.457 -6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.087 -0.558 -4.993 1.00 0.00 H new ATOM 0 HD1 HIS A 91 11.337 -2.513 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.183 -2.530 -6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.151 -4.186 -2.395 1.00 0.00 H new ATOM 1332 N PHE A 92 9.116 -2.814 -5.528 1.00 0.00 N ATOM 1333 CA PHE A 92 8.322 -3.931 -5.042 1.00 0.00 C ATOM 1334 C PHE A 92 7.243 -4.318 -6.055 1.00 0.00 C ATOM 1335 O PHE A 92 6.548 -5.317 -5.875 1.00 0.00 O ATOM 1336 CB PHE A 92 7.649 -3.470 -3.748 1.00 0.00 C ATOM 1337 CG PHE A 92 8.573 -3.480 -2.528 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.838 -4.649 -1.885 1.00 0.00 C ATOM 1339 CD2 PHE A 92 9.129 -2.320 -2.087 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.695 -4.658 -0.753 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.987 -2.329 -0.955 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.252 -3.498 -0.312 1.00 0.00 C ATOM 0 H PHE A 92 8.818 -1.899 -5.189 1.00 0.00 H new ATOM 0 HA PHE A 92 8.960 -4.800 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.264 -2.460 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.792 -4.113 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.397 -5.570 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.918 -1.392 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.905 -5.586 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.429 -1.408 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.905 -3.505 0.549 1.00 0.00 H new ATOM 1352 N LYS A 93 7.136 -3.508 -7.097 1.00 0.00 N ATOM 1353 CA LYS A 93 6.153 -3.753 -8.139 1.00 0.00 C ATOM 1354 C LYS A 93 6.531 -5.025 -8.900 1.00 0.00 C ATOM 1355 O LYS A 93 5.756 -5.515 -9.721 1.00 0.00 O ATOM 1356 CB LYS A 93 6.003 -2.522 -9.035 1.00 0.00 C ATOM 1357 CG LYS A 93 4.719 -1.758 -8.705 1.00 0.00 C ATOM 1358 CD LYS A 93 4.589 -0.505 -9.573 1.00 0.00 C ATOM 1359 CE LYS A 93 4.112 -0.861 -10.982 1.00 0.00 C ATOM 1360 NZ LYS A 93 2.780 -0.270 -11.244 1.00 0.00 N ATOM 0 H LYS A 93 7.714 -2.680 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 93 5.169 -3.922 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.864 -1.866 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.990 -2.828 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.856 -2.405 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.719 -1.477 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.887 0.190 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.551 0.004 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.829 -0.497 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.064 -1.944 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.225 -0.916 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.283 -0.120 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.894 0.641 -11.732 1.00 0.00 H new ATOM 1374 N LYS A 94 7.721 -5.525 -8.601 1.00 0.00 N ATOM 1375 CA LYS A 94 8.210 -6.731 -9.247 1.00 0.00 C ATOM 1376 C LYS A 94 8.496 -7.794 -8.184 1.00 0.00 C ATOM 1377 O LYS A 94 7.869 -8.851 -8.174 1.00 0.00 O ATOM 1378 CB LYS A 94 9.413 -6.412 -10.137 1.00 0.00 C ATOM 1379 CG LYS A 94 9.969 -5.020 -9.829 1.00 0.00 C ATOM 1380 CD LYS A 94 11.320 -4.805 -10.514 1.00 0.00 C ATOM 1381 CE LYS A 94 12.343 -4.222 -9.538 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.628 -4.950 -9.637 1.00 0.00 N ATOM 0 H LYS A 94 8.361 -5.117 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 94 7.450 -7.141 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.191 -7.160 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.119 -6.466 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.263 -4.260 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.080 -4.899 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.687 -5.753 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.198 -4.133 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.499 -3.165 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.960 -4.286 -8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.311 -4.541 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.477 -5.953 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.000 -4.868 -10.605 1.00 0.00 H new ATOM 1396 N THR A 95 9.445 -7.475 -7.316 1.00 0.00 N ATOM 1397 CA THR A 95 9.822 -8.389 -6.251 1.00 0.00 C ATOM 1398 C THR A 95 8.583 -8.858 -5.486 1.00 0.00 C ATOM 1399 O THR A 95 8.374 -10.057 -5.310 1.00 0.00 O ATOM 1400 CB THR A 95 10.852 -7.685 -5.366 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.120 -6.625 -4.757 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.933 -6.971 -6.180 1.00 0.00 C ATOM 0 H THR A 95 9.964 -6.597 -7.328 1.00 0.00 H new ATOM 0 HA THR A 95 10.280 -9.294 -6.651 1.00 0.00 H new ATOM 0 HB THR A 95 11.319 -8.413 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.728 -6.939 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.638 -6.488 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.462 -7.697 -6.798 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.470 -6.219 -6.819 1.00 0.00 H new ATOM 1410 N GLY A 96 7.792 -7.887 -5.052 1.00 0.00 N ATOM 1411 CA GLY A 96 6.579 -8.185 -4.310 1.00 0.00 C ATOM 1412 C GLY A 96 6.796 -7.998 -2.807 1.00 0.00 C ATOM 1413 O GLY A 96 7.909 -7.717 -2.367 1.00 0.00 O ATOM 0 H GLY A 96 7.968 -6.893 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.772 -7.535 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.268 -9.210 -4.511 1.00 0.00 H new ATOM 1417 N ILE A 97 5.713 -8.160 -2.061 1.00 0.00 N ATOM 1418 CA ILE A 97 5.770 -8.013 -0.617 1.00 0.00 C ATOM 1419 C ILE A 97 5.357 -9.330 0.043 1.00 0.00 C ATOM 1420 O ILE A 97 4.626 -10.122 -0.550 1.00 0.00 O ATOM 1421 CB ILE A 97 4.936 -6.811 -0.167 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.545 -5.501 -0.673 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.751 -6.809 1.351 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.453 -4.498 -1.048 1.00 0.00 C ATOM 0 H ILE A 97 4.791 -8.392 -2.430 1.00 0.00 H new ATOM 0 HA ILE A 97 6.790 -7.802 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 97 3.944 -6.898 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.188 -5.073 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.175 -5.700 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.155 -5.945 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.240 -7.722 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.726 -6.759 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.913 -3.576 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.827 -4.919 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.840 -4.283 -0.173 1.00 0.00 H new ATOM 1436 N GLU A 98 5.842 -9.523 1.260 1.00 0.00 N ATOM 1437 CA GLU A 98 5.532 -10.730 2.007 1.00 0.00 C ATOM 1438 C GLU A 98 4.764 -10.382 3.284 1.00 0.00 C ATOM 1439 O GLU A 98 5.259 -9.635 4.126 1.00 0.00 O ATOM 1440 CB GLU A 98 6.804 -11.517 2.330 1.00 0.00 C ATOM 1441 CG GLU A 98 6.485 -12.753 3.173 1.00 0.00 C ATOM 1442 CD GLU A 98 7.699 -13.180 4.001 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.822 -13.057 3.466 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.476 -13.620 5.149 1.00 0.00 O ATOM 0 H GLU A 98 6.448 -8.863 1.748 1.00 0.00 H new ATOM 0 HA GLU A 98 4.899 -11.365 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.293 -11.820 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.505 -10.878 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.646 -12.539 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.178 -13.572 2.523 1.00 0.00 H new ATOM 1451 N GLU A 99 3.567 -10.940 3.386 1.00 0.00 N ATOM 1452 CA GLU A 99 2.725 -10.698 4.546 1.00 0.00 C ATOM 1453 C GLU A 99 3.290 -11.420 5.771 1.00 0.00 C ATOM 1454 O GLU A 99 4.369 -12.008 5.707 1.00 0.00 O ATOM 1455 CB GLU A 99 1.282 -11.127 4.274 1.00 0.00 C ATOM 1456 CG GLU A 99 0.512 -10.027 3.541 1.00 0.00 C ATOM 1457 CD GLU A 99 -0.997 -10.263 3.627 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.488 -10.383 4.770 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.626 -10.317 2.548 1.00 0.00 O ATOM 0 H GLU A 99 3.160 -11.559 2.685 1.00 0.00 H new ATOM 0 HA GLU A 99 2.719 -9.627 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.276 -12.039 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.784 -11.359 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.757 -9.057 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.820 -9.997 2.496 1.00 0.00 H new ATOM 1466 N ALA A 100 2.536 -11.351 6.858 1.00 0.00 N ATOM 1467 CA ALA A 100 2.948 -11.990 8.097 1.00 0.00 C ATOM 1468 C ALA A 100 2.284 -13.364 8.202 1.00 0.00 C ATOM 1469 O ALA A 100 2.724 -14.213 8.976 1.00 0.00 O ATOM 1470 CB ALA A 100 2.602 -11.083 9.279 1.00 0.00 C ATOM 0 H ALA A 100 1.642 -10.862 6.907 1.00 0.00 H new ATOM 0 HA ALA A 100 4.027 -12.144 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.911 -11.562 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.122 -10.131 9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.526 -10.909 9.301 1.00 0.00 H new ATOM 1476 N SER A 101 1.235 -13.541 7.412 1.00 0.00 N ATOM 1477 CA SER A 101 0.505 -14.798 7.407 1.00 0.00 C ATOM 1478 C SER A 101 1.279 -15.848 6.607 1.00 0.00 C ATOM 1479 O SER A 101 0.847 -16.995 6.501 1.00 0.00 O ATOM 1480 CB SER A 101 -0.899 -14.617 6.827 1.00 0.00 C ATOM 1481 OG SER A 101 -0.868 -14.336 5.431 1.00 0.00 O ATOM 0 H SER A 101 0.873 -12.835 6.771 1.00 0.00 H new ATOM 0 HA SER A 101 0.402 -15.138 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.483 -15.521 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.405 -13.805 7.349 1.00 0.00 H new ATOM 0 HG SER A 101 -1.784 -14.229 5.098 1.00 0.00 H new ATOM 1487 N GLY A 102 2.408 -15.418 6.063 1.00 0.00 N ATOM 1488 CA GLY A 102 3.245 -16.307 5.276 1.00 0.00 C ATOM 1489 C GLY A 102 2.851 -16.266 3.798 1.00 0.00 C ATOM 1490 O GLY A 102 3.247 -17.134 3.022 1.00 0.00 O ATOM 0 H GLY A 102 2.762 -14.466 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.291 -16.019 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.154 -17.326 5.652 1.00 0.00 H new ATOM 1494 N ALA A 103 2.077 -15.247 3.453 1.00 0.00 N ATOM 1495 CA ALA A 103 1.625 -15.081 2.082 1.00 0.00 C ATOM 1496 C ALA A 103 2.353 -13.893 1.451 1.00 0.00 C ATOM 1497 O ALA A 103 2.796 -12.986 2.154 1.00 0.00 O ATOM 1498 CB ALA A 103 0.105 -14.911 2.063 1.00 0.00 C ATOM 0 H ALA A 103 1.752 -14.528 4.099 1.00 0.00 H new ATOM 0 HA ALA A 103 1.861 -15.965 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.234 -14.786 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.365 -15.794 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.170 -14.031 2.645 1.00 0.00 H new ATOM 1504 N PHE A 104 2.454 -13.936 0.130 1.00 0.00 N ATOM 1505 CA PHE A 104 3.120 -12.874 -0.604 1.00 0.00 C ATOM 1506 C PHE A 104 2.113 -12.046 -1.406 1.00 0.00 C ATOM 1507 O PHE A 104 1.104 -12.572 -1.872 1.00 0.00 O ATOM 1508 CB PHE A 104 4.097 -13.544 -1.573 1.00 0.00 C ATOM 1509 CG PHE A 104 5.518 -13.684 -1.025 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.803 -14.650 -0.110 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.498 -12.843 -1.452 1.00 0.00 C ATOM 1512 CE1 PHE A 104 7.123 -14.779 0.398 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.817 -12.972 -0.944 1.00 0.00 C ATOM 1514 CZ PHE A 104 8.102 -13.938 -0.030 1.00 0.00 C ATOM 0 H PHE A 104 2.086 -14.690 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 104 3.629 -12.205 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.718 -14.533 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.130 -12.967 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.026 -15.318 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.272 -12.076 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.349 -15.545 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.594 -12.303 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.106 -14.037 0.356 1.00 0.00 H new ATOM 1524 N VAL A 105 2.423 -10.765 -1.541 1.00 0.00 N ATOM 1525 CA VAL A 105 1.558 -9.859 -2.278 1.00 0.00 C ATOM 1526 C VAL A 105 2.353 -9.212 -3.413 1.00 0.00 C ATOM 1527 O VAL A 105 3.582 -9.175 -3.372 1.00 0.00 O ATOM 1528 CB VAL A 105 0.937 -8.837 -1.324 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.282 -7.691 -2.099 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.066 -9.505 -0.381 1.00 0.00 C ATOM 0 H VAL A 105 3.261 -10.333 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 105 0.731 -10.405 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 105 1.738 -8.416 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.152 -6.978 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.033 -7.188 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.502 -8.089 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.492 -8.756 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.862 -9.967 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.442 -10.269 0.208 1.00 0.00 H new ATOM 1540 N TYR A 106 1.620 -8.717 -4.399 1.00 0.00 N ATOM 1541 CA TYR A 106 2.242 -8.073 -5.544 1.00 0.00 C ATOM 1542 C TYR A 106 1.414 -6.877 -6.016 1.00 0.00 C ATOM 1543 O TYR A 106 0.193 -6.862 -5.862 1.00 0.00 O ATOM 1544 CB TYR A 106 2.275 -9.126 -6.654 1.00 0.00 C ATOM 1545 CG TYR A 106 2.875 -10.465 -6.223 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.236 -10.674 -6.319 1.00 0.00 C ATOM 1547 CD2 TYR A 106 2.056 -11.465 -5.739 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.801 -11.935 -5.914 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.621 -12.726 -5.334 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.966 -12.899 -5.441 1.00 0.00 C ATOM 1551 OH TYR A 106 4.499 -14.090 -5.059 1.00 0.00 O ATOM 0 H TYR A 106 0.601 -8.749 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 106 3.236 -7.707 -5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.259 -9.293 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.849 -8.736 -7.494 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.877 -9.892 -6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.991 -11.302 -5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.864 -12.111 -5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.991 -13.517 -4.954 1.00 0.00 H new ATOM 0 HH TYR A 106 3.785 -14.681 -4.742 1.00 0.00 H new ATOM 1561 N LEU A 107 2.110 -5.902 -6.582 1.00 0.00 N ATOM 1562 CA LEU A 107 1.455 -4.704 -7.078 1.00 0.00 C ATOM 1563 C LEU A 107 1.279 -4.814 -8.594 1.00 0.00 C ATOM 1564 O LEU A 107 2.188 -4.481 -9.354 1.00 0.00 O ATOM 1565 CB LEU A 107 2.218 -3.454 -6.637 1.00 0.00 C ATOM 1566 CG LEU A 107 2.679 -3.429 -5.178 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.897 -4.332 -4.973 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.941 -1.996 -4.710 1.00 0.00 C ATOM 0 H LEU A 107 3.122 -5.918 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 107 0.458 -4.609 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.094 -3.343 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.584 -2.585 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 107 1.875 -3.827 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.205 -4.296 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.639 -5.357 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.716 -3.987 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.267 -2.007 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.718 -1.547 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.025 -1.412 -4.797 1.00 0.00 H new ATOM 1580 N ARG A 108 0.105 -5.284 -8.989 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.201 -5.442 -10.401 1.00 0.00 C ATOM 1582 C ARG A 108 -0.514 -4.084 -11.032 1.00 0.00 C ATOM 1583 O ARG A 108 0.139 -3.675 -11.990 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.394 -6.379 -10.604 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.982 -7.840 -10.412 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.887 -8.774 -11.218 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.610 -8.625 -12.664 1.00 0.00 N ATOM 1588 CZ ARG A 108 -2.303 -9.244 -13.630 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -3.318 -10.058 -13.309 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -1.980 -9.049 -14.915 1.00 0.00 N ATOM 0 H ARG A 108 -0.646 -5.561 -8.356 1.00 0.00 H new ATOM 0 HA ARG A 108 0.674 -5.877 -10.884 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.185 -6.125 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.803 -6.241 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.054 -7.974 -10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.033 -8.100 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.721 -9.807 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.933 -8.545 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.843 -8.013 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.563 -10.206 -12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.846 -10.529 -14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.207 -8.430 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.507 -9.520 -15.650 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.514 -3.422 -10.468 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.922 -2.119 -10.964 1.00 0.00 C ATOM 1606 C GLN A 109 -2.276 -1.194 -9.797 1.00 0.00 C ATOM 1607 O GLN A 109 -2.836 -1.638 -8.796 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.095 -2.245 -11.938 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.389 -2.590 -11.197 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.966 -3.918 -11.690 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.631 -3.995 -12.710 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.675 -4.956 -10.912 1.00 0.00 N ATOM 0 H GLN A 109 -2.053 -3.764 -9.673 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.085 -1.682 -11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.222 -1.309 -12.483 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.878 -3.017 -12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.194 -2.649 -10.126 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.120 -1.795 -11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.113 -4.822 -10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.014 -5.887 -11.156 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.925 0.108 -9.969 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.199 1.099 -8.942 1.00 0.00 C ATOM 1623 C PRO A 110 -3.684 1.467 -8.917 1.00 0.00 C ATOM 1624 O PRO A 110 -4.431 1.109 -9.827 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.302 2.278 -9.283 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.905 2.092 -10.738 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.260 0.670 -11.141 1.00 0.00 C ATOM 0 HA PRO A 110 -1.988 0.732 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.827 3.222 -9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.424 2.300 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.427 2.810 -11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.162 2.270 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.915 0.657 -12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.370 0.099 -11.403 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.068 2.176 -7.866 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.450 2.596 -7.711 1.00 0.00 C ATOM 1637 C TYR A 111 -5.646 4.031 -8.203 1.00 0.00 C ATOM 1638 O TYR A 111 -4.890 4.927 -7.831 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.742 2.539 -6.210 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.191 2.868 -5.845 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.227 2.180 -6.445 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.463 3.851 -4.916 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.590 2.489 -6.101 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.827 4.161 -4.572 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.823 3.464 -5.182 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.111 3.756 -4.858 1.00 0.00 O ATOM 0 H TYR A 111 -3.446 2.470 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.113 1.954 -8.291 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.503 1.542 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.081 3.236 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.015 1.410 -7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.653 4.389 -4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.410 1.958 -6.563 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.053 4.929 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.544 2.959 -4.488 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.665 4.205 -9.031 1.00 0.00 N ATOM 1657 CA TYR A 112 -6.970 5.517 -9.578 1.00 0.00 C ATOM 1658 C TYR A 112 -8.327 6.017 -9.078 1.00 0.00 C ATOM 1659 O TYR A 112 -9.360 5.415 -9.366 1.00 0.00 O ATOM 1660 CB TYR A 112 -7.034 5.336 -11.096 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.665 5.308 -11.777 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -4.974 4.118 -11.887 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.120 6.471 -12.282 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.685 4.091 -12.529 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -3.832 6.444 -12.923 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.177 5.255 -13.015 1.00 0.00 C ATOM 1667 OH TYR A 112 -1.960 5.230 -13.621 1.00 0.00 O ATOM 0 H TYR A 112 -7.290 3.460 -9.337 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.217 6.244 -9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.558 4.407 -11.319 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.625 6.146 -11.524 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.400 3.208 -11.492 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.661 7.402 -12.196 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.134 3.167 -12.622 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.395 7.347 -13.322 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.725 6.133 -13.920 1.00 0.00 H new ATOM 1677 N SER A 113 -8.280 7.115 -8.337 1.00 0.00 N ATOM 1678 CA SER A 113 -9.493 7.703 -7.794 1.00 0.00 C ATOM 1679 C SER A 113 -9.981 8.831 -8.705 1.00 0.00 C ATOM 1680 O SER A 113 -9.187 9.654 -9.159 1.00 0.00 O ATOM 1681 CB SER A 113 -9.263 8.229 -6.376 1.00 0.00 C ATOM 1682 OG SER A 113 -10.157 9.289 -6.048 1.00 0.00 O ATOM 0 H SER A 113 -7.422 7.612 -8.100 1.00 0.00 H new ATOM 0 HA SER A 113 -10.257 6.927 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.389 7.415 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.235 8.579 -6.282 1.00 0.00 H new ATOM 0 HG SER A 113 -9.979 9.596 -5.135 1.00 0.00 H new ATOM 1688 N GLY A 114 -11.284 8.832 -8.946 1.00 0.00 N ATOM 1689 CA GLY A 114 -11.886 9.846 -9.796 1.00 0.00 C ATOM 1690 C GLY A 114 -13.414 9.776 -9.733 1.00 0.00 C ATOM 1691 O GLY A 114 -14.062 9.394 -10.705 1.00 0.00 O ATOM 0 H GLY A 114 -11.939 8.148 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.550 10.835 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.554 9.708 -10.825 1.00 0.00 H new ATOM 1695 N PRO A 115 -13.958 10.162 -8.548 1.00 0.00 N ATOM 1696 CA PRO A 115 -15.397 10.147 -8.345 1.00 0.00 C ATOM 1697 C PRO A 115 -16.065 11.315 -9.072 1.00 0.00 C ATOM 1698 O PRO A 115 -17.039 11.124 -9.799 1.00 0.00 O ATOM 1699 CB PRO A 115 -15.582 10.201 -6.837 1.00 0.00 C ATOM 1700 CG PRO A 115 -14.266 10.711 -6.273 1.00 0.00 C ATOM 1701 CD PRO A 115 -13.221 10.621 -7.374 1.00 0.00 C ATOM 0 HA PRO A 115 -15.871 9.257 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -16.405 10.863 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.822 9.216 -6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.371 11.740 -5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.964 10.116 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -12.751 11.588 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -12.425 9.925 -7.109 1.00 0.00 H new ATOM 1709 N SER A 116 -15.515 12.501 -8.851 1.00 0.00 N ATOM 1710 CA SER A 116 -16.046 13.700 -9.476 1.00 0.00 C ATOM 1711 C SER A 116 -16.012 13.556 -10.998 1.00 0.00 C ATOM 1712 O SER A 116 -14.939 13.560 -11.602 1.00 0.00 O ATOM 1713 CB SER A 116 -15.262 14.940 -9.042 1.00 0.00 C ATOM 1714 OG SER A 116 -15.841 16.141 -9.544 1.00 0.00 O ATOM 0 H SER A 116 -14.707 12.656 -8.248 1.00 0.00 H new ATOM 0 HA SER A 116 -17.079 13.825 -9.153 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.225 14.983 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.233 14.859 -9.393 1.00 0.00 H new ATOM 0 HG SER A 116 -15.312 16.910 -9.243 1.00 0.00 H new ATOM 1720 N SER A 117 -17.197 13.432 -11.576 1.00 0.00 N ATOM 1721 CA SER A 117 -17.316 13.287 -13.017 1.00 0.00 C ATOM 1722 C SER A 117 -18.440 14.183 -13.542 1.00 0.00 C ATOM 1723 O SER A 117 -19.485 14.311 -12.907 1.00 0.00 O ATOM 1724 CB SER A 117 -17.575 11.830 -13.404 1.00 0.00 C ATOM 1725 OG SER A 117 -18.870 11.392 -13.003 1.00 0.00 O ATOM 0 H SER A 117 -18.084 13.429 -11.073 1.00 0.00 H new ATOM 0 HA SER A 117 -16.373 13.593 -13.471 1.00 0.00 H new ATOM 0 HB2 SER A 117 -17.473 11.718 -14.483 1.00 0.00 H new ATOM 0 HB3 SER A 117 -16.819 11.193 -12.945 1.00 0.00 H new ATOM 0 HG SER A 117 -18.997 10.458 -13.270 1.00 0.00 H new ATOM 1731 N GLY A 118 -18.186 14.781 -14.697 1.00 0.00 N ATOM 1732 CA GLY A 118 -19.163 15.661 -15.315 1.00 0.00 C ATOM 1733 C GLY A 118 -18.937 17.114 -14.891 1.00 0.00 C ATOM 1734 O GLY A 118 -19.887 17.822 -14.559 1.00 0.00 O ATOM 0 H GLY A 118 -17.318 14.673 -15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.096 15.580 -16.400 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.169 15.348 -15.034 1.00 0.00 H new TER 1738 GLY A 118