USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 971 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 THR C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -90:sc= 0.0168 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.0255 X(o=-0.0087,f=-0.024) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -3 K(o=-4,f=-5.8!) USER MOD Set 2.2: A 13 MET CE :methyl -162:sc= -1.04 (180deg=-2.15) 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 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00729 X(o=-0.0073,f=0) USER MOD Single : A 20 THR OG1 : rot 86:sc= 0.0848 USER MOD Single : A 23 GLN : amide:sc= -3.54! C(o=-3.5!,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 79:sc= 0.607 USER MOD Single : A 36 SER OG : rot 151:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 49 SER OG : rot -68:sc= 0.942 USER MOD Single : A 51 GLN : amide:sc= -0.0689 K(o=-0.069,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 19:sc= 1.05 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 173:sc= -0.531 (180deg=-0.558) USER MOD Single : A 69 CYS SG : rot 34:sc= 0.745 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -152:sc= 1.07 USER MOD Single : A 81 THR OG1 : rot 47:sc= 0.289 USER MOD Single : A 84 SER OG : rot 13:sc= 1.22 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -122:sc= -0.517 (180deg=-2.32!) USER MOD Single : A 95 THR OG1 : rot -100:sc= 1.01 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00432 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.62! C(o=-3.6!,f=-5!) USER MOD Single : A 111 TYR OH : rot 39:sc= -0.799 USER MOD Single : A 112 TYR OH : rot -15:sc= -0.202 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 70:sc= 0.115 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.115 USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00883) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.951 -7.077 -24.125 1.00 0.00 N ATOM 2 CA GLY A 1 15.621 -6.351 -23.061 1.00 0.00 C ATOM 3 C GLY A 1 14.853 -6.395 -21.756 1.00 0.00 C ATOM 4 O GLY A 1 14.140 -5.451 -21.415 1.00 0.00 O ATOM 0 H1 GLY A 1 15.516 -7.017 -24.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.843 -8.074 -23.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.013 -6.661 -24.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.615 -6.772 -22.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.757 -5.313 -23.364 1.00 0.00 H new ATOM 8 N SER A 2 14.995 -7.496 -21.025 1.00 0.00 N ATOM 9 CA SER A 2 14.303 -7.662 -19.751 1.00 0.00 C ATOM 10 C SER A 2 12.803 -7.833 -19.967 1.00 0.00 C ATOM 11 O SER A 2 11.992 -7.240 -19.255 1.00 0.00 O ATOM 12 CB SER A 2 14.567 -6.460 -18.844 1.00 0.00 C ATOM 13 OG SER A 2 14.527 -6.834 -17.477 1.00 0.00 O ATOM 0 H SER A 2 15.582 -8.286 -21.292 1.00 0.00 H new ATOM 0 HA SER A 2 14.687 -8.561 -19.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.541 -6.031 -19.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.823 -5.686 -19.035 1.00 0.00 H new ATOM 0 HG SER A 2 14.700 -6.048 -16.918 1.00 0.00 H new ATOM 19 N SER A 3 12.441 -8.647 -20.953 1.00 0.00 N ATOM 20 CA SER A 3 11.039 -8.894 -21.265 1.00 0.00 C ATOM 21 C SER A 3 10.571 -10.215 -20.662 1.00 0.00 C ATOM 22 O SER A 3 11.026 -11.287 -21.059 1.00 0.00 O ATOM 23 CB SER A 3 10.827 -8.909 -22.780 1.00 0.00 C ATOM 24 OG SER A 3 10.697 -7.594 -23.291 1.00 0.00 O ATOM 0 H SER A 3 13.100 -9.147 -21.550 1.00 0.00 H new ATOM 0 HA SER A 3 10.449 -8.087 -20.830 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.667 -9.408 -23.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.933 -9.485 -23.019 1.00 0.00 H new ATOM 0 HG SER A 3 10.564 -7.632 -24.261 1.00 0.00 H new ATOM 30 N GLY A 4 9.659 -10.128 -19.698 1.00 0.00 N ATOM 31 CA GLY A 4 9.146 -11.322 -19.054 1.00 0.00 C ATOM 32 C GLY A 4 7.868 -11.060 -18.280 1.00 0.00 C ATOM 33 O GLY A 4 7.038 -10.253 -18.697 1.00 0.00 O ATOM 0 H GLY A 4 9.267 -9.252 -19.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.960 -12.087 -19.808 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.902 -11.719 -18.377 1.00 0.00 H new ATOM 37 N SER A 5 7.710 -11.745 -17.153 1.00 0.00 N ATOM 38 CA SER A 5 6.522 -11.587 -16.322 1.00 0.00 C ATOM 39 C SER A 5 6.743 -10.519 -15.255 1.00 0.00 C ATOM 40 O SER A 5 7.305 -10.792 -14.195 1.00 0.00 O ATOM 41 CB SER A 5 6.154 -12.917 -15.661 1.00 0.00 C ATOM 42 OG SER A 5 4.767 -12.979 -15.377 1.00 0.00 O ATOM 0 H SER A 5 8.390 -12.415 -16.794 1.00 0.00 H new ATOM 0 HA SER A 5 5.700 -11.270 -16.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.431 -13.742 -16.317 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.723 -13.038 -14.739 1.00 0.00 H new ATOM 0 HG SER A 5 4.557 -13.839 -14.957 1.00 0.00 H new ATOM 48 N SER A 6 6.297 -9.301 -15.545 1.00 0.00 N ATOM 49 CA SER A 6 6.450 -8.190 -14.613 1.00 0.00 C ATOM 50 C SER A 6 5.134 -7.896 -13.899 1.00 0.00 C ATOM 51 O SER A 6 4.087 -8.430 -14.258 1.00 0.00 O ATOM 52 CB SER A 6 6.933 -6.939 -15.352 1.00 0.00 C ATOM 53 OG SER A 6 8.340 -6.956 -15.515 1.00 0.00 O ATOM 0 H SER A 6 5.827 -9.059 -16.417 1.00 0.00 H new ATOM 0 HA SER A 6 7.193 -8.473 -13.868 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.451 -6.880 -16.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.639 -6.048 -14.797 1.00 0.00 H new ATOM 0 HG SER A 6 8.624 -6.148 -15.991 1.00 0.00 H new ATOM 59 N GLY A 7 5.198 -7.039 -12.883 1.00 0.00 N ATOM 60 CA GLY A 7 4.006 -6.689 -12.133 1.00 0.00 C ATOM 61 C GLY A 7 4.298 -5.726 -10.998 1.00 0.00 C ATOM 62 O GLY A 7 5.388 -5.160 -10.922 1.00 0.00 O ATOM 0 H GLY A 7 6.053 -6.582 -12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.275 -6.242 -12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.555 -7.596 -11.730 1.00 0.00 H new ATOM 66 N TRP A 8 3.322 -5.541 -10.118 1.00 0.00 N ATOM 67 CA TRP A 8 3.478 -4.639 -8.982 1.00 0.00 C ATOM 68 C TRP A 8 4.081 -5.368 -7.786 1.00 0.00 C ATOM 69 O TRP A 8 4.770 -4.765 -6.962 1.00 0.00 O ATOM 70 CB TRP A 8 2.129 -4.031 -8.597 1.00 0.00 C ATOM 71 CG TRP A 8 0.966 -4.928 -8.896 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.188 -4.915 -10.018 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.450 -5.968 -8.059 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.781 -5.885 -9.929 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.642 -6.546 -8.738 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.804 -6.469 -6.804 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.380 -7.597 -8.200 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.070 -7.513 -6.272 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.011 -8.068 -6.969 1.00 0.00 C ATOM 0 H TRP A 8 2.414 -6.003 -10.168 1.00 0.00 H new ATOM 0 HA TRP A 8 4.158 -3.839 -9.277 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.134 -3.798 -7.532 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.998 -3.089 -9.129 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.316 -4.241 -10.853 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.490 -6.081 -10.636 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.636 -6.048 -6.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.214 -8.026 -8.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.335 -7.908 -5.302 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.564 -8.883 -6.526 1.00 0.00 H new ATOM 90 N TYR A 9 3.818 -6.667 -7.698 1.00 0.00 N ATOM 91 CA TYR A 9 4.333 -7.478 -6.601 1.00 0.00 C ATOM 92 C TYR A 9 5.840 -7.294 -6.449 1.00 0.00 C ATOM 93 O TYR A 9 6.604 -7.535 -7.384 1.00 0.00 O ATOM 94 CB TYR A 9 4.009 -8.954 -6.835 1.00 0.00 C ATOM 95 CG TYR A 9 4.385 -9.848 -5.675 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.999 -9.533 -4.377 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.126 -11.006 -5.875 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.341 -10.346 -3.314 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.470 -11.825 -4.817 1.00 0.00 C ATOM 100 CZ TYR A 9 5.076 -11.491 -3.539 1.00 0.00 C ATOM 101 OH TYR A 9 5.419 -12.304 -2.482 1.00 0.00 O ATOM 0 H TYR A 9 3.251 -7.181 -8.373 1.00 0.00 H new ATOM 0 HA TYR A 9 3.850 -7.149 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.942 -9.056 -7.031 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.531 -9.295 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.422 -8.638 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.438 -11.270 -6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.034 -10.086 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.045 -12.723 -4.990 1.00 0.00 H new ATOM 0 HH TYR A 9 5.935 -13.069 -2.812 1.00 0.00 H new ATOM 111 N HIS A 10 6.261 -6.867 -5.262 1.00 0.00 N ATOM 112 CA HIS A 10 7.677 -6.651 -4.986 1.00 0.00 C ATOM 113 C HIS A 10 8.301 -7.891 -4.353 1.00 0.00 C ATOM 114 O HIS A 10 9.131 -8.561 -4.966 1.00 0.00 O ATOM 115 CB HIS A 10 7.860 -5.447 -4.062 1.00 0.00 C ATOM 116 CG HIS A 10 7.660 -4.131 -4.748 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.700 -3.285 -5.074 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.531 -3.516 -5.172 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.220 -2.207 -5.666 1.00 0.00 C ATOM 120 NE2 HIS A 10 6.905 -2.322 -5.739 1.00 0.00 N ATOM 0 H HIS A 10 5.642 -6.664 -4.477 1.00 0.00 H new ATOM 0 HA HIS A 10 8.181 -6.454 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.157 -5.526 -3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.862 -5.476 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.523 -3.894 -5.081 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.802 -1.373 -6.029 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.271 -1.636 -6.149 1.00 0.00 H new ATOM 129 N GLY A 11 7.896 -8.191 -3.123 1.00 0.00 N ATOM 130 CA GLY A 11 8.426 -9.348 -2.428 1.00 0.00 C ATOM 131 C GLY A 11 8.841 -9.031 -1.005 1.00 0.00 C ATOM 132 O GLY A 11 8.171 -9.430 -0.052 1.00 0.00 O ATOM 0 H GLY A 11 7.209 -7.652 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.674 -10.137 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.285 -9.735 -2.976 1.00 0.00 H new ATOM 136 N HIS A 12 9.950 -8.314 -0.860 1.00 0.00 N ATOM 137 CA HIS A 12 10.454 -7.944 0.459 1.00 0.00 C ATOM 138 C HIS A 12 10.616 -6.431 0.574 1.00 0.00 C ATOM 139 O HIS A 12 11.280 -5.803 -0.251 1.00 0.00 O ATOM 140 CB HIS A 12 11.792 -8.633 0.728 1.00 0.00 C ATOM 141 CG HIS A 12 12.172 -8.658 2.176 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.460 -8.445 2.621 1.00 0.00 N ATOM 143 CD2 HIS A 12 11.424 -8.871 3.285 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.489 -8.527 3.939 1.00 0.00 C ATOM 145 NE2 HIS A 12 12.265 -8.784 4.367 1.00 0.00 N ATOM 0 H HIS A 12 10.517 -7.977 -1.638 1.00 0.00 H new ATOM 0 HA HIS A 12 9.728 -8.272 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.746 -9.656 0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.574 -8.123 0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.363 -9.072 3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.364 -8.405 4.561 1.00 0.00 H new ATOM 0 HE2 HIS A 12 11.990 -8.899 5.342 1.00 0.00 H new ATOM 154 N MET A 13 10.005 -5.851 1.601 1.00 0.00 N ATOM 155 CA MET A 13 10.082 -4.412 1.824 1.00 0.00 C ATOM 156 C MET A 13 9.511 -4.042 3.189 1.00 0.00 C ATOM 157 O MET A 13 8.674 -4.759 3.737 1.00 0.00 O ATOM 158 CB MET A 13 9.328 -3.664 0.723 1.00 0.00 C ATOM 159 CG MET A 13 9.543 -2.159 0.754 1.00 0.00 C ATOM 160 SD MET A 13 8.577 -1.293 -0.497 1.00 0.00 S ATOM 161 CE MET A 13 9.180 -2.073 -1.992 1.00 0.00 C ATOM 0 H MET A 13 9.451 -6.356 2.293 1.00 0.00 H new ATOM 0 HA MET A 13 11.132 -4.121 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.643 -4.048 -0.247 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.262 -3.873 0.817 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.277 -1.778 1.740 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.601 -1.944 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.933 -1.451 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.262 -2.193 -1.929 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.713 -3.051 -2.106 1.00 0.00 H new ATOM 171 N SER A 14 9.970 -2.919 3.732 1.00 0.00 N ATOM 172 CA SER A 14 9.507 -2.456 5.035 1.00 0.00 C ATOM 173 C SER A 14 8.824 -1.097 4.918 1.00 0.00 C ATOM 174 O SER A 14 9.217 -0.261 4.105 1.00 0.00 O ATOM 175 CB SER A 14 10.680 -2.367 6.015 1.00 0.00 C ATOM 176 OG SER A 14 11.709 -1.538 5.504 1.00 0.00 O ATOM 0 H SER A 14 10.662 -2.313 3.290 1.00 0.00 H new ATOM 0 HA SER A 14 8.781 -3.177 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.331 -1.973 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.074 -3.365 6.207 1.00 0.00 H new ATOM 0 HG SER A 14 12.446 -1.496 6.149 1.00 0.00 H new ATOM 182 N GLY A 15 7.799 -0.883 5.738 1.00 0.00 N ATOM 183 CA GLY A 15 7.076 0.374 5.710 1.00 0.00 C ATOM 184 C GLY A 15 8.002 1.572 5.631 1.00 0.00 C ATOM 185 O GLY A 15 7.601 2.647 5.187 1.00 0.00 O ATOM 0 H GLY A 15 7.457 -1.559 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.401 0.383 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.458 0.454 6.604 1.00 0.00 H new ATOM 189 N GLY A 16 9.245 1.388 6.064 1.00 0.00 N ATOM 190 CA GLY A 16 10.210 2.472 6.034 1.00 0.00 C ATOM 191 C GLY A 16 10.818 2.668 4.659 1.00 0.00 C ATOM 192 O GLY A 16 11.110 3.793 4.258 1.00 0.00 O ATOM 0 H GLY A 16 9.601 0.507 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.724 3.396 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.003 2.268 6.753 1.00 0.00 H new ATOM 196 N GLN A 17 11.011 1.568 3.937 1.00 0.00 N ATOM 197 CA GLN A 17 11.591 1.626 2.600 1.00 0.00 C ATOM 198 C GLN A 17 10.560 2.098 1.580 1.00 0.00 C ATOM 199 O GLN A 17 10.869 2.898 0.697 1.00 0.00 O ATOM 200 CB GLN A 17 12.132 0.252 2.198 1.00 0.00 C ATOM 201 CG GLN A 17 12.998 0.282 0.948 1.00 0.00 C ATOM 202 CD GLN A 17 14.055 -0.805 0.945 1.00 0.00 C ATOM 203 OE1 GLN A 17 15.209 -0.566 1.302 1.00 0.00 O ATOM 204 NE2 GLN A 17 13.665 -2.009 0.541 1.00 0.00 N ATOM 0 H GLN A 17 10.775 0.628 4.255 1.00 0.00 H new ATOM 0 HA GLN A 17 12.412 2.342 2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.714 -0.156 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.294 -0.426 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.364 0.170 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.483 1.255 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.698 -2.162 0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.332 -2.780 0.518 1.00 0.00 H new ATOM 213 N ALA A 18 9.337 1.598 1.707 1.00 0.00 N ATOM 214 CA ALA A 18 8.260 1.970 0.796 1.00 0.00 C ATOM 215 C ALA A 18 8.130 3.487 0.694 1.00 0.00 C ATOM 216 O ALA A 18 8.286 4.060 -0.383 1.00 0.00 O ATOM 217 CB ALA A 18 6.946 1.355 1.252 1.00 0.00 C ATOM 0 H ALA A 18 9.066 0.934 2.432 1.00 0.00 H new ATOM 0 HA ALA A 18 8.504 1.584 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.152 1.641 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.039 0.269 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.705 1.713 2.253 1.00 0.00 H new ATOM 223 N GLU A 19 7.840 4.129 1.821 1.00 0.00 N ATOM 224 CA GLU A 19 7.686 5.578 1.856 1.00 0.00 C ATOM 225 C GLU A 19 8.803 6.264 1.073 1.00 0.00 C ATOM 226 O GLU A 19 8.580 7.273 0.403 1.00 0.00 O ATOM 227 CB GLU A 19 7.682 6.079 3.302 1.00 0.00 C ATOM 228 CG GLU A 19 6.328 5.963 3.982 1.00 0.00 C ATOM 229 CD GLU A 19 6.145 6.977 5.094 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.766 6.802 6.164 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.383 7.946 4.896 1.00 0.00 O ATOM 0 H GLU A 19 7.707 3.669 2.721 1.00 0.00 H new ATOM 0 HA GLU A 19 6.733 5.826 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.417 5.514 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.999 7.122 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.541 6.097 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.215 4.958 4.389 1.00 0.00 H new ATOM 238 N THR A 20 10.007 5.707 1.162 1.00 0.00 N ATOM 239 CA THR A 20 11.159 6.263 0.464 1.00 0.00 C ATOM 240 C THR A 20 11.098 5.960 -1.028 1.00 0.00 C ATOM 241 O THR A 20 11.332 6.837 -1.861 1.00 0.00 O ATOM 242 CB THR A 20 12.481 5.712 1.033 1.00 0.00 C ATOM 243 OG1 THR A 20 12.569 6.004 2.433 1.00 0.00 O ATOM 244 CG2 THR A 20 13.674 6.315 0.308 1.00 0.00 C ATOM 0 H THR A 20 10.209 4.871 1.711 1.00 0.00 H new ATOM 0 HA THR A 20 11.128 7.342 0.615 1.00 0.00 H new ATOM 0 HB THR A 20 12.494 4.632 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.110 5.304 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.596 5.912 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.618 6.068 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.664 7.398 0.429 1.00 0.00 H new ATOM 252 N LEU A 21 10.779 4.713 -1.362 1.00 0.00 N ATOM 253 CA LEU A 21 10.685 4.295 -2.756 1.00 0.00 C ATOM 254 C LEU A 21 9.540 5.012 -3.464 1.00 0.00 C ATOM 255 O LEU A 21 9.761 5.790 -4.394 1.00 0.00 O ATOM 256 CB LEU A 21 10.484 2.781 -2.842 1.00 0.00 C ATOM 257 CG LEU A 21 11.657 1.921 -2.373 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.386 0.450 -2.653 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.947 2.365 -3.046 1.00 0.00 C ATOM 0 H LEU A 21 10.581 3.975 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 21 11.618 4.561 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.607 2.517 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.261 2.522 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 21 11.770 2.050 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.232 -0.147 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.486 0.139 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.246 0.303 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.771 1.741 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.846 2.266 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.149 3.406 -2.794 1.00 0.00 H new ATOM 271 N LEU A 22 8.317 4.749 -3.018 1.00 0.00 N ATOM 272 CA LEU A 22 7.137 5.372 -3.607 1.00 0.00 C ATOM 273 C LEU A 22 7.381 6.852 -3.881 1.00 0.00 C ATOM 274 O LEU A 22 7.152 7.333 -4.990 1.00 0.00 O ATOM 275 CB LEU A 22 5.932 5.205 -2.680 1.00 0.00 C ATOM 276 CG LEU A 22 5.378 3.786 -2.545 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.350 3.718 -1.428 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.771 3.323 -3.862 1.00 0.00 C ATOM 0 H LEU A 22 8.116 4.108 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 22 6.930 4.876 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.211 5.560 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.132 5.853 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 22 6.201 3.118 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.967 2.701 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.817 4.006 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.528 4.399 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.382 2.311 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.960 3.994 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.536 3.332 -4.638 1.00 0.00 H new ATOM 290 N GLN A 23 7.849 7.568 -2.864 1.00 0.00 N ATOM 291 CA GLN A 23 8.127 8.992 -2.997 1.00 0.00 C ATOM 292 C GLN A 23 9.212 9.242 -4.039 1.00 0.00 C ATOM 293 O GLN A 23 9.110 10.164 -4.847 1.00 0.00 O ATOM 294 CB GLN A 23 8.553 9.579 -1.650 1.00 0.00 C ATOM 295 CG GLN A 23 7.409 9.717 -0.657 1.00 0.00 C ATOM 296 CD GLN A 23 7.884 9.730 0.783 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.082 9.654 1.053 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.943 9.825 1.714 1.00 0.00 N ATOM 0 H GLN A 23 8.043 7.185 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 23 7.212 9.484 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.326 8.945 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.000 10.559 -1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.863 10.637 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.710 8.893 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.962 9.886 1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.201 9.837 2.701 1.00 0.00 H new ATOM 307 N ALA A 24 10.251 8.413 -4.014 1.00 0.00 N ATOM 308 CA ALA A 24 11.354 8.541 -4.957 1.00 0.00 C ATOM 309 C ALA A 24 10.841 8.723 -6.381 1.00 0.00 C ATOM 310 O ALA A 24 11.277 9.623 -7.099 1.00 0.00 O ATOM 311 CB ALA A 24 12.266 7.326 -4.873 1.00 0.00 C ATOM 0 H ALA A 24 10.351 7.645 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 24 11.926 9.429 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.085 7.436 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.669 7.243 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.697 6.427 -5.112 1.00 0.00 H new ATOM 317 N LYS A 25 9.913 7.863 -6.784 1.00 0.00 N ATOM 318 CA LYS A 25 9.338 7.928 -8.124 1.00 0.00 C ATOM 319 C LYS A 25 8.575 9.232 -8.325 1.00 0.00 C ATOM 320 O LYS A 25 8.703 9.884 -9.360 1.00 0.00 O ATOM 321 CB LYS A 25 8.405 6.737 -8.359 1.00 0.00 C ATOM 322 CG LYS A 25 8.103 6.481 -9.825 1.00 0.00 C ATOM 323 CD LYS A 25 7.727 5.030 -10.072 1.00 0.00 C ATOM 324 CE LYS A 25 7.240 4.816 -11.497 1.00 0.00 C ATOM 325 NZ LYS A 25 6.321 3.649 -11.600 1.00 0.00 N ATOM 0 H LYS A 25 9.542 7.112 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 25 10.154 7.890 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.855 5.843 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.469 6.910 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.288 7.129 -10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.974 6.740 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.590 4.392 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.948 4.730 -9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.728 5.713 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.096 4.663 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.011 3.537 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.817 2.788 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.491 3.806 -10.993 1.00 0.00 H new ATOM 339 N GLY A 26 7.782 9.610 -7.326 1.00 0.00 N ATOM 340 CA GLY A 26 7.011 10.837 -7.414 1.00 0.00 C ATOM 341 C GLY A 26 5.748 10.670 -8.235 1.00 0.00 C ATOM 342 O GLY A 26 5.350 11.578 -8.965 1.00 0.00 O ATOM 0 H GLY A 26 7.660 9.089 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.747 11.169 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.628 11.619 -7.857 1.00 0.00 H new ATOM 346 N GLU A 27 5.117 9.506 -8.118 1.00 0.00 N ATOM 347 CA GLU A 27 3.892 9.224 -8.858 1.00 0.00 C ATOM 348 C GLU A 27 2.705 9.079 -7.911 1.00 0.00 C ATOM 349 O GLU A 27 2.686 8.223 -7.025 1.00 0.00 O ATOM 350 CB GLU A 27 4.054 7.949 -9.688 1.00 0.00 C ATOM 351 CG GLU A 27 4.901 8.139 -10.936 1.00 0.00 C ATOM 352 CD GLU A 27 4.178 8.916 -12.019 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.310 9.746 -11.674 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.479 8.694 -13.211 1.00 0.00 O ATOM 0 H GLU A 27 5.433 8.744 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 27 3.701 10.063 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.506 7.176 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.068 7.588 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.820 8.662 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.191 7.163 -11.326 1.00 0.00 H new ATOM 361 N PRO A 28 1.690 9.935 -8.099 1.00 0.00 N ATOM 362 CA PRO A 28 0.479 9.923 -7.271 1.00 0.00 C ATOM 363 C PRO A 28 -0.383 8.692 -7.525 1.00 0.00 C ATOM 364 O PRO A 28 -0.426 8.171 -8.639 1.00 0.00 O ATOM 365 CB PRO A 28 -0.259 11.191 -7.705 1.00 0.00 C ATOM 366 CG PRO A 28 0.218 11.452 -9.092 1.00 0.00 C ATOM 367 CD PRO A 28 1.645 10.980 -9.135 1.00 0.00 C ATOM 0 HA PRO A 28 0.712 9.892 -6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.339 11.049 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.031 12.027 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.392 10.918 -9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.150 12.512 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.908 10.585 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.343 11.789 -8.920 1.00 0.00 H new ATOM 375 N TRP A 29 -1.068 8.231 -6.484 1.00 0.00 N ATOM 376 CA TRP A 29 -1.930 7.060 -6.594 1.00 0.00 C ATOM 377 C TRP A 29 -1.120 5.819 -6.949 1.00 0.00 C ATOM 378 O TRP A 29 -1.572 4.969 -7.717 1.00 0.00 O ATOM 379 CB TRP A 29 -3.013 7.296 -7.648 1.00 0.00 C ATOM 380 CG TRP A 29 -3.812 8.542 -7.410 1.00 0.00 C ATOM 381 CD1 TRP A 29 -4.064 9.540 -8.309 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.462 8.924 -6.192 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.831 10.518 -7.724 1.00 0.00 N ATOM 384 CE2 TRP A 29 -5.089 10.163 -6.426 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.577 8.339 -4.929 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.818 10.826 -5.442 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.300 8.997 -3.953 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.914 10.229 -4.213 1.00 0.00 C ATOM 0 H TRP A 29 -1.043 8.650 -5.555 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.404 6.897 -5.626 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.546 7.354 -8.631 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.686 6.439 -7.665 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.712 9.557 -9.330 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.156 11.370 -8.181 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.109 7.389 -4.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.291 11.777 -5.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.394 8.554 -2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.474 10.718 -3.429 1.00 0.00 H new ATOM 399 N THR A 30 0.080 5.720 -6.387 1.00 0.00 N ATOM 400 CA THR A 30 0.954 4.582 -6.645 1.00 0.00 C ATOM 401 C THR A 30 0.927 3.593 -5.486 1.00 0.00 C ATOM 402 O THR A 30 1.341 3.914 -4.372 1.00 0.00 O ATOM 403 CB THR A 30 2.407 5.033 -6.886 1.00 0.00 C ATOM 404 OG1 THR A 30 2.473 5.880 -8.039 1.00 0.00 O ATOM 405 CG2 THR A 30 3.321 3.832 -7.079 1.00 0.00 C ATOM 0 H THR A 30 0.469 6.415 -5.750 1.00 0.00 H new ATOM 0 HA THR A 30 0.579 4.093 -7.544 1.00 0.00 H new ATOM 0 HB THR A 30 2.742 5.588 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.175 6.782 -7.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.342 4.175 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.291 3.205 -6.188 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.986 3.254 -7.940 1.00 0.00 H new ATOM 413 N PHE A 31 0.435 2.387 -5.754 1.00 0.00 N ATOM 414 CA PHE A 31 0.353 1.350 -4.732 1.00 0.00 C ATOM 415 C PHE A 31 1.422 0.283 -4.953 1.00 0.00 C ATOM 416 O PHE A 31 1.872 0.063 -6.079 1.00 0.00 O ATOM 417 CB PHE A 31 -1.035 0.708 -4.738 1.00 0.00 C ATOM 418 CG PHE A 31 -1.183 -0.394 -5.749 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.376 -0.100 -7.089 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.128 -1.722 -5.359 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.511 -1.110 -8.022 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.262 -2.737 -6.288 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.456 -2.431 -7.620 1.00 0.00 C ATOM 0 H PHE A 31 0.087 2.104 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 31 0.526 1.816 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.247 0.310 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.781 1.477 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.421 0.931 -7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.979 -1.967 -4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.659 -0.867 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.215 -3.769 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.565 -3.223 -8.347 1.00 0.00 H new ATOM 433 N LEU A 32 1.823 -0.377 -3.873 1.00 0.00 N ATOM 434 CA LEU A 32 2.838 -1.422 -3.947 1.00 0.00 C ATOM 435 C LEU A 32 2.618 -2.473 -2.866 1.00 0.00 C ATOM 436 O LEU A 32 2.445 -2.145 -1.692 1.00 0.00 O ATOM 437 CB LEU A 32 4.234 -0.814 -3.807 1.00 0.00 C ATOM 438 CG LEU A 32 4.762 -0.667 -2.380 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.399 -1.965 -1.909 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.759 0.481 -2.295 1.00 0.00 C ATOM 0 H LEU A 32 1.461 -0.207 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 32 2.755 -1.907 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.935 -1.430 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.228 0.171 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 32 3.921 -0.441 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.769 -1.840 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.657 -2.763 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.228 -2.223 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.124 0.571 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.597 0.285 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.270 1.410 -2.588 1.00 0.00 H new ATOM 452 N VAL A 33 2.627 -3.740 -3.268 1.00 0.00 N ATOM 453 CA VAL A 33 2.432 -4.841 -2.332 1.00 0.00 C ATOM 454 C VAL A 33 3.768 -5.392 -1.845 1.00 0.00 C ATOM 455 O VAL A 33 4.661 -5.678 -2.643 1.00 0.00 O ATOM 456 CB VAL A 33 1.619 -5.984 -2.970 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.351 -7.082 -1.953 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.317 -5.452 -3.549 1.00 0.00 C ATOM 0 H VAL A 33 2.767 -4.029 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 33 1.877 -4.440 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 33 2.204 -6.412 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.776 -7.880 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.298 -7.482 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.787 -6.672 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.245 -6.272 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.275 -4.997 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.536 -4.705 -4.312 1.00 0.00 H new ATOM 468 N ARG A 34 3.897 -5.540 -0.531 1.00 0.00 N ATOM 469 CA ARG A 34 5.123 -6.057 0.063 1.00 0.00 C ATOM 470 C ARG A 34 4.812 -7.020 1.205 1.00 0.00 C ATOM 471 O ARG A 34 3.703 -7.027 1.738 1.00 0.00 O ATOM 472 CB ARG A 34 5.992 -4.906 0.576 1.00 0.00 C ATOM 473 CG ARG A 34 5.323 -4.074 1.657 1.00 0.00 C ATOM 474 CD ARG A 34 6.187 -2.891 2.064 1.00 0.00 C ATOM 475 NE ARG A 34 5.576 -2.109 3.135 1.00 0.00 N ATOM 476 CZ ARG A 34 5.686 -2.415 4.423 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.381 -3.480 4.798 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.100 -1.654 5.339 1.00 0.00 N ATOM 0 H ARG A 34 3.167 -5.309 0.143 1.00 0.00 H new ATOM 0 HA ARG A 34 5.668 -6.600 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.925 -5.312 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.253 -4.258 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.359 -3.715 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.125 -4.698 2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.163 -3.250 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.355 -2.250 1.198 1.00 0.00 H new ATOM 0 HE ARG A 34 5.035 -1.283 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.833 -4.067 4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.464 -3.712 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.565 -0.834 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.185 -1.889 6.328 1.00 0.00 H new ATOM 492 N GLU A 35 5.797 -7.832 1.574 1.00 0.00 N ATOM 493 CA GLU A 35 5.626 -8.800 2.651 1.00 0.00 C ATOM 494 C GLU A 35 5.716 -8.119 4.013 1.00 0.00 C ATOM 495 O GLU A 35 6.437 -7.136 4.182 1.00 0.00 O ATOM 496 CB GLU A 35 6.683 -9.902 2.549 1.00 0.00 C ATOM 497 CG GLU A 35 6.327 -10.998 1.558 1.00 0.00 C ATOM 498 CD GLU A 35 7.290 -12.167 1.611 1.00 0.00 C ATOM 499 OE1 GLU A 35 7.275 -12.903 2.619 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.059 -12.346 0.642 1.00 0.00 O ATOM 0 H GLU A 35 6.722 -7.839 1.143 1.00 0.00 H new ATOM 0 HA GLU A 35 4.636 -9.245 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.634 -9.456 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.828 -10.347 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.317 -11.354 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.320 -10.583 0.550 1.00 0.00 H new ATOM 507 N SER A 36 4.978 -8.649 4.983 1.00 0.00 N ATOM 508 CA SER A 36 4.970 -8.091 6.330 1.00 0.00 C ATOM 509 C SER A 36 6.366 -8.131 6.944 1.00 0.00 C ATOM 510 O SER A 36 7.332 -8.533 6.292 1.00 0.00 O ATOM 511 CB SER A 36 3.988 -8.858 7.218 1.00 0.00 C ATOM 512 OG SER A 36 4.405 -10.201 7.396 1.00 0.00 O ATOM 0 H SER A 36 4.378 -9.465 4.861 1.00 0.00 H new ATOM 0 HA SER A 36 4.651 -7.051 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.909 -8.367 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.995 -8.838 6.769 1.00 0.00 H new ATOM 0 HG SER A 36 4.094 -10.527 8.266 1.00 0.00 H new ATOM 518 N LEU A 37 6.466 -7.712 8.200 1.00 0.00 N ATOM 519 CA LEU A 37 7.743 -7.700 8.903 1.00 0.00 C ATOM 520 C LEU A 37 7.637 -8.425 10.241 1.00 0.00 C ATOM 521 O LEU A 37 8.533 -9.177 10.624 1.00 0.00 O ATOM 522 CB LEU A 37 8.212 -6.260 9.127 1.00 0.00 C ATOM 523 CG LEU A 37 8.839 -5.563 7.920 1.00 0.00 C ATOM 524 CD1 LEU A 37 9.006 -4.075 8.191 1.00 0.00 C ATOM 525 CD2 LEU A 37 10.177 -6.197 7.574 1.00 0.00 C ATOM 0 H LEU A 37 5.677 -7.376 8.753 1.00 0.00 H new ATOM 0 HA LEU A 37 8.473 -8.222 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.359 -5.669 9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.938 -6.258 9.940 1.00 0.00 H new ATOM 0 HG LEU A 37 8.171 -5.684 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.454 -3.595 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.031 -3.630 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.653 -3.933 9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.609 -5.688 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.853 -6.108 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.030 -7.251 7.337 1.00 0.00 H new ATOM 537 N SER A 38 6.533 -8.197 10.945 1.00 0.00 N ATOM 538 CA SER A 38 6.308 -8.828 12.240 1.00 0.00 C ATOM 539 C SER A 38 4.968 -9.555 12.265 1.00 0.00 C ATOM 540 O SER A 38 4.538 -10.049 13.307 1.00 0.00 O ATOM 541 CB SER A 38 6.355 -7.782 13.355 1.00 0.00 C ATOM 542 OG SER A 38 5.526 -6.674 13.051 1.00 0.00 O ATOM 0 H SER A 38 5.780 -7.580 10.640 1.00 0.00 H new ATOM 0 HA SER A 38 7.100 -9.559 12.403 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.035 -8.233 14.294 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.381 -7.444 13.497 1.00 0.00 H new ATOM 0 HG SER A 38 5.573 -6.021 13.780 1.00 0.00 H new ATOM 548 N GLN A 39 4.313 -9.617 11.111 1.00 0.00 N ATOM 549 CA GLN A 39 3.021 -10.283 11.000 1.00 0.00 C ATOM 550 C GLN A 39 3.171 -11.659 10.360 1.00 0.00 C ATOM 551 O GLN A 39 3.996 -11.871 9.470 1.00 0.00 O ATOM 552 CB GLN A 39 2.052 -9.429 10.179 1.00 0.00 C ATOM 553 CG GLN A 39 1.795 -8.056 10.778 1.00 0.00 C ATOM 554 CD GLN A 39 0.768 -8.088 11.893 1.00 0.00 C ATOM 555 OE1 GLN A 39 1.091 -7.847 13.057 1.00 0.00 O ATOM 556 NE2 GLN A 39 -0.477 -8.387 11.543 1.00 0.00 N ATOM 0 H GLN A 39 4.656 -9.214 10.239 1.00 0.00 H new ATOM 0 HA GLN A 39 2.619 -10.412 12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.451 -9.308 9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.104 -9.959 10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.731 -7.651 11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.454 -7.380 9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.700 -8.580 10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.211 -8.424 12.251 1.00 0.00 H new ATOM 565 N PRO A 40 2.357 -12.619 10.823 1.00 0.00 N ATOM 566 CA PRO A 40 2.380 -13.993 10.310 1.00 0.00 C ATOM 567 C PRO A 40 1.844 -14.089 8.885 1.00 0.00 C ATOM 568 O PRO A 40 0.677 -13.796 8.631 1.00 0.00 O ATOM 569 CB PRO A 40 1.466 -14.748 11.277 1.00 0.00 C ATOM 570 CG PRO A 40 0.548 -13.708 11.822 1.00 0.00 C ATOM 571 CD PRO A 40 1.351 -12.438 11.883 1.00 0.00 C ATOM 0 HA PRO A 40 3.393 -14.392 10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.913 -15.535 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.039 -15.226 12.072 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.327 -13.586 11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.184 -13.988 12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.730 -11.561 11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.816 -12.303 12.860 1.00 0.00 H new ATOM 579 N GLY A 41 2.705 -14.500 7.960 1.00 0.00 N ATOM 580 CA GLY A 41 2.299 -14.628 6.573 1.00 0.00 C ATOM 581 C GLY A 41 1.337 -13.536 6.148 1.00 0.00 C ATOM 582 O GLY A 41 0.295 -13.814 5.554 1.00 0.00 O ATOM 0 H GLY A 41 3.677 -14.747 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.182 -14.599 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.830 -15.600 6.423 1.00 0.00 H new ATOM 586 N ASP A 42 1.685 -12.291 6.454 1.00 0.00 N ATOM 587 CA ASP A 42 0.845 -11.153 6.100 1.00 0.00 C ATOM 588 C ASP A 42 1.585 -10.199 5.168 1.00 0.00 C ATOM 589 O ASP A 42 2.783 -10.354 4.927 1.00 0.00 O ATOM 590 CB ASP A 42 0.400 -10.410 7.361 1.00 0.00 C ATOM 591 CG ASP A 42 -0.875 -10.980 7.951 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.598 -11.694 7.223 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.149 -10.716 9.140 1.00 0.00 O ATOM 0 H ASP A 42 2.543 -12.044 6.947 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.035 -11.531 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.194 -10.457 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.248 -9.357 7.124 1.00 0.00 H new ATOM 598 N PHE A 43 0.865 -9.215 4.643 1.00 0.00 N ATOM 599 CA PHE A 43 1.452 -8.237 3.734 1.00 0.00 C ATOM 600 C PHE A 43 1.028 -6.820 4.111 1.00 0.00 C ATOM 601 O PHE A 43 0.207 -6.623 5.007 1.00 0.00 O ATOM 602 CB PHE A 43 1.039 -8.539 2.292 1.00 0.00 C ATOM 603 CG PHE A 43 1.337 -9.947 1.865 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.547 -10.999 2.302 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.406 -10.220 1.026 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.818 -12.296 1.912 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.681 -11.516 0.632 1.00 0.00 C ATOM 608 CZ PHE A 43 1.887 -12.556 1.076 1.00 0.00 C ATOM 0 H PHE A 43 -0.127 -9.073 4.831 1.00 0.00 H new ATOM 0 HA PHE A 43 2.537 -8.306 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.029 -8.353 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.553 -7.849 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.290 -10.802 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.031 -9.411 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.195 -13.106 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.516 -11.716 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.101 -13.569 0.770 1.00 0.00 H new ATOM 618 N VAL A 44 1.595 -5.836 3.420 1.00 0.00 N ATOM 619 CA VAL A 44 1.276 -4.438 3.682 1.00 0.00 C ATOM 620 C VAL A 44 1.020 -3.681 2.383 1.00 0.00 C ATOM 621 O VAL A 44 1.824 -3.733 1.452 1.00 0.00 O ATOM 622 CB VAL A 44 2.411 -3.738 4.455 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.079 -2.271 4.678 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.666 -4.443 5.778 1.00 0.00 C ATOM 0 H VAL A 44 2.277 -5.981 2.675 1.00 0.00 H new ATOM 0 HA VAL A 44 0.372 -4.428 4.291 1.00 0.00 H new ATOM 0 HB VAL A 44 3.322 -3.792 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.892 -1.793 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.950 -1.777 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.157 -2.190 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.470 -3.936 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.759 -4.421 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.951 -5.478 5.590 1.00 0.00 H new ATOM 634 N LEU A 45 -0.105 -2.977 2.327 1.00 0.00 N ATOM 635 CA LEU A 45 -0.469 -2.208 1.143 1.00 0.00 C ATOM 636 C LEU A 45 -0.072 -0.744 1.300 1.00 0.00 C ATOM 637 O LEU A 45 -0.683 -0.004 2.071 1.00 0.00 O ATOM 638 CB LEU A 45 -1.973 -2.316 0.882 1.00 0.00 C ATOM 639 CG LEU A 45 -2.410 -2.207 -0.579 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.302 -0.770 -1.064 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.577 -3.132 -1.455 1.00 0.00 C ATOM 0 H LEU A 45 -0.781 -2.923 3.089 1.00 0.00 H new ATOM 0 HA LEU A 45 0.072 -2.622 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.322 -3.271 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.477 -1.535 1.450 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.453 -2.514 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.617 -0.713 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.942 -0.132 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.269 -0.434 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.902 -3.041 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.525 -2.856 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.707 -4.162 -1.123 1.00 0.00 H new ATOM 653 N SER A 46 0.956 -0.332 0.565 1.00 0.00 N ATOM 654 CA SER A 46 1.436 1.043 0.624 1.00 0.00 C ATOM 655 C SER A 46 1.053 1.807 -0.640 1.00 0.00 C ATOM 656 O SER A 46 1.394 1.402 -1.751 1.00 0.00 O ATOM 657 CB SER A 46 2.955 1.068 0.809 1.00 0.00 C ATOM 658 OG SER A 46 3.361 0.157 1.816 1.00 0.00 O ATOM 0 H SER A 46 1.473 -0.931 -0.079 1.00 0.00 H new ATOM 0 HA SER A 46 0.965 1.530 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.443 0.816 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.276 2.075 1.075 1.00 0.00 H new ATOM 0 HG SER A 46 3.360 0.609 2.686 1.00 0.00 H new ATOM 664 N VAL A 47 0.344 2.917 -0.461 1.00 0.00 N ATOM 665 CA VAL A 47 -0.085 3.740 -1.585 1.00 0.00 C ATOM 666 C VAL A 47 0.353 5.189 -1.405 1.00 0.00 C ATOM 667 O VAL A 47 0.265 5.743 -0.308 1.00 0.00 O ATOM 668 CB VAL A 47 -1.614 3.696 -1.763 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.992 3.951 -3.214 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.167 2.360 -1.287 1.00 0.00 C ATOM 0 H VAL A 47 0.055 3.267 0.452 1.00 0.00 H new ATOM 0 HA VAL A 47 0.389 3.328 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.055 4.485 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.076 3.916 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.630 4.933 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.541 3.187 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.249 2.346 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.720 1.553 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.929 2.223 -0.232 1.00 0.00 H new ATOM 680 N LEU A 48 0.825 5.798 -2.488 1.00 0.00 N ATOM 681 CA LEU A 48 1.276 7.184 -2.450 1.00 0.00 C ATOM 682 C LEU A 48 0.150 8.135 -2.843 1.00 0.00 C ATOM 683 O LEU A 48 -0.328 8.112 -3.977 1.00 0.00 O ATOM 684 CB LEU A 48 2.472 7.377 -3.384 1.00 0.00 C ATOM 685 CG LEU A 48 3.269 8.669 -3.195 1.00 0.00 C ATOM 686 CD1 LEU A 48 4.011 8.649 -1.867 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.242 8.868 -4.348 1.00 0.00 C ATOM 0 H LEU A 48 0.905 5.353 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 48 1.579 7.414 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.150 6.533 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.114 7.342 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 48 2.571 9.506 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.572 9.576 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.294 8.553 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.699 7.803 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.801 9.792 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.935 8.027 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.688 8.928 -5.285 1.00 0.00 H new ATOM 699 N SER A 49 -0.268 8.972 -1.899 1.00 0.00 N ATOM 700 CA SER A 49 -1.339 9.931 -2.147 1.00 0.00 C ATOM 701 C SER A 49 -0.821 11.134 -2.930 1.00 0.00 C ATOM 702 O SER A 49 0.359 11.475 -2.856 1.00 0.00 O ATOM 703 CB SER A 49 -1.953 10.395 -0.824 1.00 0.00 C ATOM 704 OG SER A 49 -1.064 11.245 -0.120 1.00 0.00 O ATOM 0 H SER A 49 0.118 9.006 -0.956 1.00 0.00 H new ATOM 0 HA SER A 49 -2.106 9.436 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.888 10.921 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.197 9.529 -0.209 1.00 0.00 H new ATOM 0 HG SER A 49 -0.290 10.728 0.185 1.00 0.00 H new ATOM 710 N ASP A 50 -1.713 11.771 -3.680 1.00 0.00 N ATOM 711 CA ASP A 50 -1.348 12.938 -4.476 1.00 0.00 C ATOM 712 C ASP A 50 -1.343 14.200 -3.621 1.00 0.00 C ATOM 713 O ASP A 50 -1.343 15.315 -4.142 1.00 0.00 O ATOM 714 CB ASP A 50 -2.318 13.105 -5.647 1.00 0.00 C ATOM 715 CG ASP A 50 -2.092 14.398 -6.405 1.00 0.00 C ATOM 716 OD1 ASP A 50 -0.920 14.717 -6.696 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.086 15.091 -6.707 1.00 0.00 O ATOM 0 H ASP A 50 -2.693 11.500 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.342 12.781 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.207 12.263 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.342 13.080 -5.274 1.00 0.00 H new ATOM 722 N GLN A 51 -1.337 14.016 -2.303 1.00 0.00 N ATOM 723 CA GLN A 51 -1.332 15.142 -1.376 1.00 0.00 C ATOM 724 C GLN A 51 -0.041 15.172 -0.564 1.00 0.00 C ATOM 725 O GLN A 51 0.322 14.206 0.106 1.00 0.00 O ATOM 726 CB GLN A 51 -2.537 15.061 -0.438 1.00 0.00 C ATOM 727 CG GLN A 51 -3.870 15.257 -1.142 1.00 0.00 C ATOM 728 CD GLN A 51 -4.198 16.720 -1.373 1.00 0.00 C ATOM 729 OE1 GLN A 51 -3.710 17.597 -0.662 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.029 16.988 -2.374 1.00 0.00 N ATOM 0 H GLN A 51 -1.335 13.100 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.395 16.061 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.537 14.090 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.432 15.816 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.851 14.737 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.661 14.801 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.410 16.228 -2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.286 17.954 -2.579 1.00 0.00 H new ATOM 739 N PRO A 52 0.669 16.308 -0.624 1.00 0.00 N ATOM 740 CA PRO A 52 1.931 16.493 0.101 1.00 0.00 C ATOM 741 C PRO A 52 1.724 16.585 1.609 1.00 0.00 C ATOM 742 O PRO A 52 0.667 17.008 2.077 1.00 0.00 O ATOM 743 CB PRO A 52 2.465 17.817 -0.447 1.00 0.00 C ATOM 744 CG PRO A 52 1.254 18.552 -0.911 1.00 0.00 C ATOM 745 CD PRO A 52 0.296 17.502 -1.401 1.00 0.00 C ATOM 0 HA PRO A 52 2.610 15.653 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.998 18.377 0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.166 17.653 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.815 19.133 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.504 19.254 -1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.740 17.789 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.400 17.332 -2.473 1.00 0.00 H new ATOM 753 N LYS A 53 2.741 16.187 2.366 1.00 0.00 N ATOM 754 CA LYS A 53 2.674 16.226 3.822 1.00 0.00 C ATOM 755 C LYS A 53 2.638 17.666 4.327 1.00 0.00 C ATOM 756 O LYS A 53 1.951 17.976 5.300 1.00 0.00 O ATOM 757 CB LYS A 53 3.871 15.491 4.429 1.00 0.00 C ATOM 758 CG LYS A 53 3.844 13.990 4.198 1.00 0.00 C ATOM 759 CD LYS A 53 5.074 13.314 4.779 1.00 0.00 C ATOM 760 CE LYS A 53 5.074 13.371 6.300 1.00 0.00 C ATOM 761 NZ LYS A 53 6.065 12.429 6.889 1.00 0.00 N ATOM 0 H LYS A 53 3.623 15.833 1.994 1.00 0.00 H new ATOM 0 HA LYS A 53 1.755 15.728 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.789 15.899 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.900 15.685 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.947 13.567 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.787 13.787 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.108 12.275 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.972 13.798 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.300 14.386 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.078 13.131 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.035 12.497 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.835 11.457 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.019 12.674 6.554 1.00 0.00 H new ATOM 775 N ALA A 54 3.382 18.541 3.657 1.00 0.00 N ATOM 776 CA ALA A 54 3.433 19.947 4.036 1.00 0.00 C ATOM 777 C ALA A 54 2.930 20.838 2.906 1.00 0.00 C ATOM 778 O ALA A 54 1.877 21.467 3.019 1.00 0.00 O ATOM 779 CB ALA A 54 4.850 20.338 4.427 1.00 0.00 C ATOM 0 H ALA A 54 3.957 18.300 2.850 1.00 0.00 H new ATOM 0 HA ALA A 54 2.778 20.090 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.873 21.391 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.175 19.730 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.519 20.173 3.582 1.00 0.00 H new ATOM 785 N GLY A 55 3.688 20.889 1.815 1.00 0.00 N ATOM 786 CA GLY A 55 3.302 21.707 0.681 1.00 0.00 C ATOM 787 C GLY A 55 4.233 21.532 -0.503 1.00 0.00 C ATOM 788 O GLY A 55 4.717 20.435 -0.783 1.00 0.00 O ATOM 0 H GLY A 55 4.563 20.378 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.286 21.451 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.292 22.755 0.980 1.00 0.00 H new ATOM 792 N PRO A 56 4.494 22.632 -1.224 1.00 0.00 N ATOM 793 CA PRO A 56 5.374 22.621 -2.396 1.00 0.00 C ATOM 794 C PRO A 56 6.835 22.399 -2.023 1.00 0.00 C ATOM 795 O PRO A 56 7.580 23.353 -1.801 1.00 0.00 O ATOM 796 CB PRO A 56 5.180 24.015 -2.998 1.00 0.00 C ATOM 797 CG PRO A 56 4.755 24.866 -1.853 1.00 0.00 C ATOM 798 CD PRO A 56 3.952 23.974 -0.949 1.00 0.00 C ATOM 0 HA PRO A 56 5.131 21.809 -3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.103 24.385 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.426 24.005 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.619 25.276 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.159 25.712 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.074 24.249 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.887 24.030 -1.172 1.00 0.00 H new ATOM 806 N GLY A 57 7.239 21.135 -1.956 1.00 0.00 N ATOM 807 CA GLY A 57 8.612 20.812 -1.610 1.00 0.00 C ATOM 808 C GLY A 57 8.708 19.623 -0.675 1.00 0.00 C ATOM 809 O GLY A 57 9.805 19.187 -0.326 1.00 0.00 O ATOM 0 H GLY A 57 6.641 20.328 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.173 20.601 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.079 21.678 -1.141 1.00 0.00 H new ATOM 813 N SER A 58 7.557 19.098 -0.266 1.00 0.00 N ATOM 814 CA SER A 58 7.518 17.955 0.638 1.00 0.00 C ATOM 815 C SER A 58 7.064 16.696 -0.094 1.00 0.00 C ATOM 816 O SER A 58 6.366 16.754 -1.108 1.00 0.00 O ATOM 817 CB SER A 58 6.580 18.241 1.813 1.00 0.00 C ATOM 818 OG SER A 58 5.306 18.662 1.358 1.00 0.00 O ATOM 0 H SER A 58 6.640 19.446 -0.546 1.00 0.00 H new ATOM 0 HA SER A 58 8.526 17.789 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.473 17.345 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.015 19.011 2.450 1.00 0.00 H new ATOM 0 HG SER A 58 5.188 18.395 0.422 1.00 0.00 H new ATOM 824 N PRO A 59 7.468 15.529 0.428 1.00 0.00 N ATOM 825 CA PRO A 59 7.114 14.233 -0.159 1.00 0.00 C ATOM 826 C PRO A 59 5.634 13.907 0.005 1.00 0.00 C ATOM 827 O PRO A 59 4.975 14.407 0.918 1.00 0.00 O ATOM 828 CB PRO A 59 7.971 13.241 0.629 1.00 0.00 C ATOM 829 CG PRO A 59 8.226 13.913 1.934 1.00 0.00 C ATOM 830 CD PRO A 59 8.300 15.384 1.634 1.00 0.00 C ATOM 0 HA PRO A 59 7.292 14.210 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.452 12.292 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.903 13.022 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.428 13.699 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.155 13.558 2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.917 15.982 2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.326 15.707 1.456 1.00 0.00 H new ATOM 838 N LEU A 60 5.116 13.065 -0.884 1.00 0.00 N ATOM 839 CA LEU A 60 3.712 12.671 -0.836 1.00 0.00 C ATOM 840 C LEU A 60 3.461 11.689 0.304 1.00 0.00 C ATOM 841 O LEU A 60 4.207 10.726 0.482 1.00 0.00 O ATOM 842 CB LEU A 60 3.294 12.043 -2.167 1.00 0.00 C ATOM 843 CG LEU A 60 2.771 13.010 -3.229 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.525 14.330 -3.168 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.885 12.392 -4.616 1.00 0.00 C ATOM 0 H LEU A 60 5.647 12.643 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 60 3.114 13.565 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.151 11.510 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.522 11.300 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 60 1.718 13.207 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.139 15.005 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.392 14.780 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.586 14.152 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.508 13.094 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.930 12.165 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.299 11.474 -4.654 1.00 0.00 H new ATOM 857 N ARG A 61 2.405 11.939 1.071 1.00 0.00 N ATOM 858 CA ARG A 61 2.054 11.076 2.193 1.00 0.00 C ATOM 859 C ARG A 61 1.691 9.676 1.709 1.00 0.00 C ATOM 860 O ARG A 61 1.036 9.513 0.679 1.00 0.00 O ATOM 861 CB ARG A 61 0.885 11.675 2.978 1.00 0.00 C ATOM 862 CG ARG A 61 0.605 10.962 4.291 1.00 0.00 C ATOM 863 CD ARG A 61 1.452 11.525 5.421 1.00 0.00 C ATOM 864 NE ARG A 61 1.282 10.771 6.660 1.00 0.00 N ATOM 865 CZ ARG A 61 1.794 9.561 6.861 1.00 0.00 C ATOM 866 NH1 ARG A 61 2.503 8.972 5.908 1.00 0.00 N ATOM 867 NH2 ARG A 61 1.595 8.939 8.015 1.00 0.00 N ATOM 0 H ARG A 61 1.778 12.732 0.936 1.00 0.00 H new ATOM 0 HA ARG A 61 2.922 11.002 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.095 12.725 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.012 11.644 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.451 11.061 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.808 9.897 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.502 11.510 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.183 12.567 5.591 1.00 0.00 H new ATOM 0 HE ARG A 61 0.741 11.196 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.656 9.447 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.895 8.043 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.049 9.389 8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.988 8.010 8.168 1.00 0.00 H new ATOM 881 N VAL A 62 2.122 8.665 2.459 1.00 0.00 N ATOM 882 CA VAL A 62 1.843 7.279 2.106 1.00 0.00 C ATOM 883 C VAL A 62 0.803 6.673 3.042 1.00 0.00 C ATOM 884 O VAL A 62 0.600 7.154 4.157 1.00 0.00 O ATOM 885 CB VAL A 62 3.122 6.420 2.153 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.813 4.982 1.763 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.192 7.009 1.247 1.00 0.00 C ATOM 0 H VAL A 62 2.665 8.781 3.314 1.00 0.00 H new ATOM 0 HA VAL A 62 1.454 7.283 1.088 1.00 0.00 H new ATOM 0 HB VAL A 62 3.503 6.420 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.727 4.390 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.082 4.566 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.408 4.958 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.088 6.390 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.824 7.040 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.432 8.020 1.577 1.00 0.00 H new ATOM 897 N THR A 63 0.145 5.614 2.581 1.00 0.00 N ATOM 898 CA THR A 63 -0.874 4.942 3.376 1.00 0.00 C ATOM 899 C THR A 63 -0.588 3.449 3.490 1.00 0.00 C ATOM 900 O THR A 63 -0.649 2.717 2.502 1.00 0.00 O ATOM 901 CB THR A 63 -2.278 5.139 2.771 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.519 6.531 2.536 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.349 4.583 3.697 1.00 0.00 C ATOM 0 H THR A 63 0.300 5.203 1.660 1.00 0.00 H new ATOM 0 HA THR A 63 -0.847 5.391 4.369 1.00 0.00 H new ATOM 0 HB THR A 63 -2.321 4.598 1.825 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.412 6.648 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.331 4.733 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.180 3.517 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.305 5.099 4.656 1.00 0.00 H new ATOM 911 N HIS A 64 -0.276 3.002 4.702 1.00 0.00 N ATOM 912 CA HIS A 64 0.019 1.595 4.946 1.00 0.00 C ATOM 913 C HIS A 64 -1.211 0.867 5.480 1.00 0.00 C ATOM 914 O HIS A 64 -1.575 1.015 6.647 1.00 0.00 O ATOM 915 CB HIS A 64 1.176 1.459 5.936 1.00 0.00 C ATOM 916 CG HIS A 64 2.332 2.362 5.634 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.300 2.059 4.700 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.672 3.567 6.149 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.185 3.038 4.653 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.826 3.966 5.524 1.00 0.00 N ATOM 0 H HIS A 64 -0.221 3.594 5.531 1.00 0.00 H new ATOM 0 HA HIS A 64 0.306 1.140 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.811 1.673 6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.523 0.426 5.937 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.135 4.113 6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.054 3.075 4.012 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.326 4.837 5.702 1.00 0.00 H new ATOM 929 N ILE A 65 -1.847 0.081 4.617 1.00 0.00 N ATOM 930 CA ILE A 65 -3.036 -0.670 5.002 1.00 0.00 C ATOM 931 C ILE A 65 -2.707 -2.142 5.228 1.00 0.00 C ATOM 932 O ILE A 65 -2.501 -2.897 4.277 1.00 0.00 O ATOM 933 CB ILE A 65 -4.142 -0.561 3.936 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.291 0.889 3.472 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.459 -1.085 4.484 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.930 1.025 2.107 1.00 0.00 C ATOM 0 H ILE A 65 -1.559 -0.052 3.648 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.397 -0.233 5.933 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.860 -1.171 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.890 1.435 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.307 1.358 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.231 -1.001 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.344 -2.130 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.749 -0.500 5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.004 2.080 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.320 0.507 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.927 0.586 2.127 1.00 0.00 H new ATOM 948 N LYS A 66 -2.661 -2.544 6.494 1.00 0.00 N ATOM 949 CA LYS A 66 -2.360 -3.927 6.847 1.00 0.00 C ATOM 950 C LYS A 66 -3.206 -4.894 6.025 1.00 0.00 C ATOM 951 O LYS A 66 -4.435 -4.874 6.095 1.00 0.00 O ATOM 952 CB LYS A 66 -2.606 -4.159 8.339 1.00 0.00 C ATOM 953 CG LYS A 66 -1.533 -3.561 9.232 1.00 0.00 C ATOM 954 CD LYS A 66 -1.370 -4.355 10.517 1.00 0.00 C ATOM 955 CE LYS A 66 -0.880 -3.476 11.657 1.00 0.00 C ATOM 956 NZ LYS A 66 -0.725 -4.244 12.924 1.00 0.00 N ATOM 0 H LYS A 66 -2.828 -1.932 7.293 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.309 -4.112 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.572 -3.733 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.667 -5.231 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.584 -3.536 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.791 -2.529 9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.323 -4.808 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.664 -5.170 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.076 -3.028 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.583 -2.658 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.389 -3.609 13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.642 -4.651 13.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.035 -5.009 12.784 1.00 0.00 H new ATOM 970 N VAL A 67 -2.540 -5.743 5.248 1.00 0.00 N ATOM 971 CA VAL A 67 -3.231 -6.721 4.415 1.00 0.00 C ATOM 972 C VAL A 67 -3.192 -8.107 5.047 1.00 0.00 C ATOM 973 O VAL A 67 -2.124 -8.699 5.204 1.00 0.00 O ATOM 974 CB VAL A 67 -2.615 -6.792 3.006 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.290 -7.878 2.182 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.715 -5.443 2.310 1.00 0.00 C ATOM 0 H VAL A 67 -1.523 -5.773 5.178 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.267 -6.392 4.334 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.560 -7.046 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.841 -7.913 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.159 -8.842 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.354 -7.658 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.274 -5.513 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.763 -5.155 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.180 -4.693 2.892 1.00 0.00 H new ATOM 986 N MET A 68 -4.363 -8.621 5.409 1.00 0.00 N ATOM 987 CA MET A 68 -4.463 -9.940 6.022 1.00 0.00 C ATOM 988 C MET A 68 -4.588 -11.026 4.959 1.00 0.00 C ATOM 989 O MET A 68 -5.283 -10.850 3.958 1.00 0.00 O ATOM 990 CB MET A 68 -5.662 -9.995 6.970 1.00 0.00 C ATOM 991 CG MET A 68 -5.444 -9.243 8.272 1.00 0.00 C ATOM 992 SD MET A 68 -6.984 -8.920 9.154 1.00 0.00 S ATOM 993 CE MET A 68 -7.314 -7.234 8.649 1.00 0.00 C ATOM 0 H MET A 68 -5.256 -8.144 5.288 1.00 0.00 H new ATOM 0 HA MET A 68 -3.551 -10.119 6.591 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.534 -9.582 6.463 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.888 -11.037 7.196 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.777 -9.820 8.913 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.945 -8.297 8.062 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.297 -6.932 9.011 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.554 -6.574 9.067 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.292 -7.169 7.561 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.911 -12.147 5.183 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.946 -13.261 4.242 1.00 0.00 C ATOM 1005 C CYS A 69 -4.446 -14.531 4.923 1.00 0.00 C ATOM 1006 O CYS A 69 -3.803 -15.051 5.835 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.556 -13.499 3.649 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.499 -14.810 2.405 1.00 0.00 S ATOM 0 H CYS A 69 -3.332 -12.308 6.007 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.636 -13.005 3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.200 -12.571 3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.866 -13.748 4.456 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.615 -14.824 1.738 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.597 -15.023 4.475 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.183 -16.231 5.043 1.00 0.00 C ATOM 1016 C GLU A 70 -5.897 -17.443 4.160 1.00 0.00 C ATOM 1017 O GLU A 70 -6.666 -17.760 3.254 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.694 -16.058 5.216 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.072 -15.061 6.299 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.181 -15.701 7.669 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.358 -16.588 7.978 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.090 -15.314 8.433 1.00 0.00 O ATOM 0 H GLU A 70 -6.141 -14.604 3.721 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.729 -16.400 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.125 -15.734 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.137 -17.025 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.327 -14.266 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.024 -14.596 6.043 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.784 -18.116 4.433 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.414 -19.285 3.655 1.00 0.00 C ATOM 1031 C GLY A 71 -4.042 -18.937 2.228 1.00 0.00 C ATOM 1032 O GLY A 71 -2.863 -18.900 1.878 1.00 0.00 O ATOM 0 H GLY A 71 -4.132 -17.873 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.573 -19.786 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.244 -19.991 3.649 1.00 0.00 H new ATOM 1036 N GLY A 72 -5.051 -18.681 1.400 1.00 0.00 N ATOM 1037 CA GLY A 72 -4.802 -18.340 0.011 1.00 0.00 C ATOM 1038 C GLY A 72 -5.605 -17.137 -0.443 1.00 0.00 C ATOM 1039 O GLY A 72 -5.717 -16.873 -1.639 1.00 0.00 O ATOM 0 H GLY A 72 -6.035 -18.704 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.740 -18.137 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.046 -19.195 -0.619 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.168 -16.408 0.515 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.968 -15.228 0.208 1.00 0.00 C ATOM 1045 C ARG A 73 -6.357 -13.979 0.835 1.00 0.00 C ATOM 1046 O ARG A 73 -5.317 -14.046 1.491 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.402 -15.413 0.707 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.087 -16.648 0.144 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.357 -16.980 0.913 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.841 -18.325 0.617 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.941 -18.844 1.151 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -12.668 -18.135 2.003 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.316 -20.077 0.832 1.00 0.00 N ATOM 0 H ARG A 73 -6.085 -16.614 1.511 1.00 0.00 H new ATOM 0 HA ARG A 73 -6.981 -15.101 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.394 -15.476 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.986 -14.531 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.329 -16.485 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.403 -17.496 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.167 -16.891 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.131 -16.254 0.665 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.305 -18.898 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.383 -17.187 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.512 -18.537 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.759 -20.626 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.161 -20.475 1.242 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.011 -12.840 0.629 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.531 -11.575 1.172 1.00 0.00 C ATOM 1069 C TYR A 74 -7.697 -10.683 1.586 1.00 0.00 C ATOM 1070 O TYR A 74 -8.784 -10.754 1.012 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.660 -10.852 0.143 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.440 -11.639 -0.278 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.262 -11.576 0.454 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.467 -12.446 -1.409 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.144 -12.293 0.073 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.355 -13.168 -1.798 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.196 -13.087 -1.054 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.086 -13.805 -1.437 1.00 0.00 O ATOM 0 H TYR A 74 -7.874 -12.768 0.090 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.932 -11.792 2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.262 -10.631 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.340 -9.896 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.219 -10.956 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.373 -12.510 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.235 -12.232 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.393 -13.792 -2.679 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.290 -14.313 -2.250 1.00 0.00 H new ATOM 1088 N THR A 75 -7.463 -9.840 2.587 1.00 0.00 N ATOM 1089 CA THR A 75 -8.491 -8.933 3.080 1.00 0.00 C ATOM 1090 C THR A 75 -7.875 -7.756 3.828 1.00 0.00 C ATOM 1091 O THR A 75 -6.684 -7.761 4.140 1.00 0.00 O ATOM 1092 CB THR A 75 -9.480 -9.658 4.012 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.596 -8.808 4.299 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.801 -10.067 5.310 1.00 0.00 C ATOM 0 H THR A 75 -6.569 -9.767 3.072 1.00 0.00 H new ATOM 0 HA THR A 75 -9.030 -8.563 2.208 1.00 0.00 H new ATOM 0 HB THR A 75 -9.830 -10.557 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.971 -9.044 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.520 -10.577 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.970 -10.738 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.426 -9.180 5.820 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.694 -6.749 4.115 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.230 -5.566 4.829 1.00 0.00 C ATOM 1104 C VAL A 76 -9.356 -4.936 5.640 1.00 0.00 C ATOM 1105 O VAL A 76 -10.318 -4.411 5.082 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.660 -4.513 3.860 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.275 -4.923 3.380 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.601 -4.309 2.682 1.00 0.00 C ATOM 0 H VAL A 76 -9.682 -6.729 3.864 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.440 -5.894 5.504 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.569 -3.566 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.888 -4.167 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.606 -5.015 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.338 -5.881 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.183 -3.562 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.725 -5.251 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.570 -3.968 3.045 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.229 -4.993 6.962 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.243 -4.425 7.831 1.00 0.00 C ATOM 1120 C GLY A 77 -11.492 -5.281 7.903 1.00 0.00 C ATOM 1121 O GLY A 77 -11.969 -5.604 8.989 1.00 0.00 O ATOM 0 H GLY A 77 -8.441 -5.423 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.832 -4.304 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.508 -3.430 7.473 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.023 -5.649 6.740 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.220 -6.468 6.699 1.00 0.00 C ATOM 1127 C GLY A 78 -12.909 -7.939 6.502 1.00 0.00 C ATOM 1128 O GLY A 78 -11.744 -8.337 6.475 1.00 0.00 O ATOM 0 H GLY A 78 -11.646 -5.395 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.777 -6.339 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.864 -6.124 5.890 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.953 -8.750 6.365 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.786 -10.186 6.171 1.00 0.00 C ATOM 1134 C LEU A 79 -13.619 -10.519 4.691 1.00 0.00 C ATOM 1135 O LEU A 79 -13.027 -11.539 4.339 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.988 -10.940 6.743 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.327 -10.696 6.048 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.536 -11.697 4.922 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.469 -10.770 7.050 1.00 0.00 C ATOM 0 H LEU A 79 -14.924 -8.437 6.385 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.885 -10.498 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.772 -12.008 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.093 -10.671 7.794 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.313 -9.695 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.495 -11.507 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.735 -11.594 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.529 -12.708 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.415 -10.594 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.485 -11.757 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.327 -10.012 7.820 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.142 -9.651 3.831 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.049 -9.854 2.391 1.00 0.00 C ATOM 1153 C GLU A 80 -12.691 -10.436 2.010 1.00 0.00 C ATOM 1154 O GLU A 80 -11.705 -9.708 1.876 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.275 -8.534 1.651 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.741 -8.225 1.393 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.018 -6.736 1.315 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.521 -6.088 0.370 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.733 -6.220 2.199 1.00 0.00 O ATOM 0 H GLU A 80 -14.634 -8.801 4.107 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.824 -10.563 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.838 -7.722 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.746 -8.566 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.049 -8.698 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.346 -8.662 2.187 1.00 0.00 H new ATOM 1166 N THR A 81 -12.644 -11.753 1.839 1.00 0.00 N ATOM 1167 CA THR A 81 -11.408 -12.435 1.475 1.00 0.00 C ATOM 1168 C THR A 81 -11.351 -12.710 -0.023 1.00 0.00 C ATOM 1169 O THR A 81 -11.971 -13.652 -0.516 1.00 0.00 O ATOM 1170 CB THR A 81 -11.255 -13.765 2.236 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.468 -14.521 2.148 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.910 -13.516 3.697 1.00 0.00 C ATOM 0 H THR A 81 -13.449 -12.370 1.947 1.00 0.00 H new ATOM 0 HA THR A 81 -10.589 -11.771 1.750 1.00 0.00 H new ATOM 0 HB THR A 81 -10.442 -14.329 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.783 -14.528 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.807 -14.470 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.971 -12.966 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.704 -12.934 4.164 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.603 -11.881 -0.744 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.466 -12.035 -2.188 1.00 0.00 C ATOM 1182 C PHE A 82 -9.662 -13.287 -2.527 1.00 0.00 C ATOM 1183 O PHE A 82 -8.848 -13.750 -1.728 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.789 -10.802 -2.792 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.467 -9.511 -2.431 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.217 -8.898 -1.214 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.354 -8.910 -3.310 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.837 -7.709 -0.880 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.978 -7.721 -2.981 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.720 -7.121 -1.764 1.00 0.00 C ATOM 0 H PHE A 82 -10.083 -11.096 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.464 -12.138 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.752 -10.765 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.770 -10.902 -3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.529 -9.355 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.560 -9.376 -4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.631 -7.240 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.667 -7.262 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.208 -6.193 -1.504 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.896 -13.828 -3.716 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.194 -15.027 -4.163 1.00 0.00 C ATOM 1202 C ASP A 83 -7.687 -14.797 -4.184 1.00 0.00 C ATOM 1203 O ASP A 83 -6.905 -15.716 -3.941 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.680 -15.440 -5.553 1.00 0.00 C ATOM 1205 CG ASP A 83 -11.141 -15.843 -5.560 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -11.561 -16.564 -4.630 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.864 -15.441 -6.495 1.00 0.00 O ATOM 0 H ASP A 83 -10.566 -13.456 -4.389 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.411 -15.830 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.531 -14.613 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.075 -16.272 -5.914 1.00 0.00 H new ATOM 1212 N SER A 84 -7.285 -13.564 -4.478 1.00 0.00 N ATOM 1213 CA SER A 84 -5.871 -13.214 -4.537 1.00 0.00 C ATOM 1214 C SER A 84 -5.685 -11.699 -4.541 1.00 0.00 C ATOM 1215 O SER A 84 -6.634 -10.947 -4.765 1.00 0.00 O ATOM 1216 CB SER A 84 -5.224 -13.821 -5.784 1.00 0.00 C ATOM 1217 OG SER A 84 -4.932 -15.194 -5.589 1.00 0.00 O ATOM 0 H SER A 84 -7.919 -12.791 -4.679 1.00 0.00 H new ATOM 0 HA SER A 84 -5.385 -13.620 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.892 -13.706 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.307 -13.281 -6.022 1.00 0.00 H new ATOM 0 HG SER A 84 -5.385 -15.513 -4.780 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.458 -11.260 -4.290 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.145 -9.835 -4.264 1.00 0.00 C ATOM 1225 C LEU A 85 -4.518 -9.172 -5.586 1.00 0.00 C ATOM 1226 O LEU A 85 -4.868 -7.992 -5.625 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.658 -9.624 -3.975 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.271 -9.501 -2.501 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.861 -10.023 -2.274 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.388 -8.056 -2.037 1.00 0.00 C ATOM 0 H LEU A 85 -3.662 -11.870 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.731 -9.374 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.103 -10.456 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.333 -8.721 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.960 -10.107 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.603 -9.927 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.810 -11.072 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.158 -9.445 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.109 -7.988 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.723 -7.428 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.416 -7.716 -2.162 1.00 0.00 H new ATOM 1242 N THR A 86 -4.442 -9.939 -6.669 1.00 0.00 N ATOM 1243 CA THR A 86 -4.772 -9.427 -7.993 1.00 0.00 C ATOM 1244 C THR A 86 -6.210 -8.924 -8.045 1.00 0.00 C ATOM 1245 O THR A 86 -6.504 -7.924 -8.700 1.00 0.00 O ATOM 1246 CB THR A 86 -4.578 -10.504 -9.077 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.248 -11.033 -9.009 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.830 -9.930 -10.463 1.00 0.00 C ATOM 0 H THR A 86 -4.155 -10.918 -6.655 1.00 0.00 H new ATOM 0 HA THR A 86 -4.092 -8.598 -8.189 1.00 0.00 H new ATOM 0 HB THR A 86 -5.297 -11.303 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.133 -11.718 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.687 -10.710 -11.211 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.852 -9.555 -10.521 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.132 -9.114 -10.651 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.102 -9.622 -7.352 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.510 -9.245 -7.318 1.00 0.00 C ATOM 1258 C ASP A 87 -8.764 -8.187 -6.249 1.00 0.00 C ATOM 1259 O ASP A 87 -9.430 -7.182 -6.501 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.383 -10.473 -7.055 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.775 -10.329 -7.637 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.933 -9.572 -8.618 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.708 -10.973 -7.112 1.00 0.00 O ATOM 0 H ASP A 87 -6.875 -10.453 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.771 -8.824 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.903 -11.354 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.457 -10.639 -5.980 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.229 -8.420 -5.055 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.398 -7.487 -3.947 1.00 0.00 C ATOM 1270 C LEU A 88 -7.905 -6.095 -4.326 1.00 0.00 C ATOM 1271 O LEU A 88 -8.538 -5.090 -4.001 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.645 -7.989 -2.713 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.515 -6.997 -1.557 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.471 -7.733 -0.226 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.276 -6.132 -1.731 1.00 0.00 C ATOM 0 H LEU A 88 -7.675 -9.246 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.461 -7.424 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.148 -8.883 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.644 -8.291 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.390 -6.347 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.378 -7.012 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.388 -8.308 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.615 -8.408 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.201 -5.432 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.390 -6.766 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.348 -5.577 -2.666 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.772 -6.042 -5.019 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.195 -4.773 -5.446 1.00 0.00 C ATOM 1289 C VAL A 89 -6.987 -4.173 -6.603 1.00 0.00 C ATOM 1290 O VAL A 89 -7.370 -3.004 -6.564 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.726 -4.940 -5.876 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.186 -3.639 -6.449 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.878 -5.408 -4.702 1.00 0.00 C ATOM 0 H VAL A 89 -6.235 -6.864 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.240 -4.100 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.678 -5.700 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.147 -3.776 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.778 -3.351 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.246 -2.856 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.843 -5.521 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.931 -4.673 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.253 -6.366 -4.342 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.226 -4.980 -7.632 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.972 -4.527 -8.801 1.00 0.00 C ATOM 1305 C GLU A 90 -9.286 -3.872 -8.387 1.00 0.00 C ATOM 1306 O GLU A 90 -9.613 -2.772 -8.834 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.247 -5.700 -9.743 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.115 -5.980 -10.715 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.754 -4.768 -11.554 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.630 -3.902 -11.752 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.595 -4.688 -12.011 1.00 0.00 O ATOM 0 H GLU A 90 -6.914 -5.950 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.366 -3.786 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.434 -6.595 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.157 -5.496 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.236 -6.308 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.400 -6.801 -11.373 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.038 -4.557 -7.530 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.318 -4.043 -7.055 1.00 0.00 C ATOM 1320 C HIS A 91 -11.166 -2.626 -6.511 1.00 0.00 C ATOM 1321 O HIS A 91 -12.028 -1.772 -6.721 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.889 -4.958 -5.973 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.314 -4.654 -5.622 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.750 -4.489 -4.324 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.402 -4.483 -6.408 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.045 -4.232 -4.326 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.466 -4.222 -5.579 1.00 0.00 N ATOM 0 H HIS A 91 -9.783 -5.469 -7.151 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.007 -4.017 -7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.819 -5.992 -6.309 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.276 -4.872 -5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.429 -4.541 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.656 -4.059 -3.453 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.425 -4.049 -5.881 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.063 -2.381 -5.810 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.799 -1.068 -5.233 1.00 0.00 C ATOM 1338 C PHE A 92 -9.309 -0.094 -6.301 1.00 0.00 C ATOM 1339 O PHE A 92 -9.530 1.113 -6.206 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.763 -1.178 -4.113 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.266 -1.904 -2.899 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.506 -1.601 -2.360 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.501 -2.889 -2.296 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.974 -2.266 -1.243 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -8.963 -3.559 -1.179 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.200 -3.246 -0.652 1.00 0.00 C ATOM 0 H PHE A 92 -9.338 -3.075 -5.628 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.732 -0.687 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.881 -1.693 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.447 -0.176 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.114 -0.835 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.532 -3.136 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.942 -2.020 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.357 -4.326 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.562 -3.767 0.222 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.640 -0.628 -7.318 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.119 0.191 -8.406 1.00 0.00 C ATOM 1358 C LYS A 93 -9.248 0.919 -9.128 1.00 0.00 C ATOM 1359 O LYS A 93 -9.041 1.983 -9.712 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.340 -0.676 -9.397 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.974 -1.106 -8.886 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.283 -2.040 -9.865 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.551 -1.266 -10.951 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.433 -2.056 -11.537 1.00 0.00 N ATOM 0 H LYS A 93 -8.446 -1.625 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.447 0.935 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.928 -1.564 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.213 -0.124 -10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.353 -0.226 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.085 -1.604 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.576 -2.673 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.020 -2.701 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.254 -0.992 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.160 -0.337 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.959 -1.494 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.749 -2.296 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.808 -2.930 -11.957 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.442 0.339 -9.086 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.605 0.933 -9.734 1.00 0.00 C ATOM 1380 C LYS A 94 -12.518 1.601 -8.710 1.00 0.00 C ATOM 1381 O LYS A 94 -13.030 2.696 -8.940 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.384 -0.134 -10.508 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.426 -1.482 -9.809 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.221 -2.500 -10.609 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.717 -2.238 -10.513 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.180 -1.278 -11.552 1.00 0.00 N ATOM 0 H LYS A 94 -10.630 -0.543 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.252 1.694 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.404 0.216 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.933 -0.258 -11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.410 -1.848 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.871 -1.367 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.911 -2.466 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.002 -3.503 -10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.258 -3.178 -10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.954 -1.845 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.629 -0.460 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.367 -0.956 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.868 -1.746 -12.175 1.00 0.00 H new ATOM 1400 N THR A 95 -12.716 0.933 -7.577 1.00 0.00 N ATOM 1401 CA THR A 95 -13.566 1.462 -6.518 1.00 0.00 C ATOM 1402 C THR A 95 -12.776 2.366 -5.579 1.00 0.00 C ATOM 1403 O THR A 95 -13.209 3.470 -5.254 1.00 0.00 O ATOM 1404 CB THR A 95 -14.213 0.329 -5.699 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.205 -0.405 -4.996 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.997 -0.611 -6.601 1.00 0.00 C ATOM 0 H THR A 95 -12.299 0.025 -7.370 1.00 0.00 H new ATOM 0 HA THR A 95 -14.350 2.044 -7.003 1.00 0.00 H new ATOM 0 HB THR A 95 -14.901 0.776 -4.982 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.997 -1.227 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.445 -1.403 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.783 -0.054 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.326 -1.051 -7.339 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.613 1.888 -5.145 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.780 2.667 -4.248 1.00 0.00 C ATOM 1416 C GLY A 96 -10.895 2.210 -2.807 1.00 0.00 C ATOM 1417 O GLY A 96 -11.722 1.357 -2.484 1.00 0.00 O ATOM 0 H GLY A 96 -11.234 0.976 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.740 2.594 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.061 3.718 -4.316 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.060 2.774 -1.941 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.072 2.417 -0.527 1.00 0.00 C ATOM 1423 C ILE A 97 -10.472 3.608 0.337 1.00 0.00 C ATOM 1424 O ILE A 97 -10.064 4.741 0.079 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.696 1.902 -0.065 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.451 0.490 -0.599 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.604 1.925 1.453 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.050 -0.019 -0.341 1.00 0.00 C ATOM 0 H ILE A 97 -9.367 3.479 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.808 1.621 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.925 2.560 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.167 -0.192 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.641 0.478 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.626 1.558 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.739 2.946 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.381 1.287 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.948 -1.026 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.329 0.641 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.862 -0.040 0.733 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.273 3.345 1.365 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.728 4.395 2.267 1.00 0.00 C ATOM 1442 C GLU A 98 -11.099 4.236 3.649 1.00 0.00 C ATOM 1443 O GLU A 98 -11.288 3.217 4.313 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.253 4.374 2.384 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.862 5.739 2.662 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.255 5.646 3.253 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.537 4.654 3.957 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.063 6.567 3.013 1.00 0.00 O ATOM 0 H GLU A 98 -11.620 2.413 1.593 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.416 5.354 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.674 3.979 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.538 3.689 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.216 6.288 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.902 6.311 1.735 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.351 5.249 4.073 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.694 5.221 5.375 1.00 0.00 C ATOM 1457 C GLU A 99 -10.635 5.711 6.471 1.00 0.00 C ATOM 1458 O GLU A 99 -11.460 6.596 6.245 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.428 6.081 5.351 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.225 5.376 4.745 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.015 6.283 4.632 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.341 6.504 5.660 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.741 6.770 3.515 1.00 0.00 O ATOM 0 H GLU A 99 -10.185 6.099 3.535 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.419 4.189 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.628 6.991 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.186 6.385 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.970 4.510 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.488 5.002 3.756 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.505 5.130 7.659 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.341 5.508 8.790 1.00 0.00 C ATOM 1472 C ALA A 100 -11.649 7.001 8.771 1.00 0.00 C ATOM 1473 O ALA A 100 -12.811 7.407 8.764 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.666 5.123 10.099 1.00 0.00 C ATOM 0 H ALA A 100 -9.828 4.395 7.863 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.284 4.968 8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.303 5.412 10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.504 4.045 10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.707 5.636 10.179 1.00 0.00 H new ATOM 1480 N SER A 101 -10.598 7.817 8.762 1.00 0.00 N ATOM 1481 CA SER A 101 -10.756 9.267 8.748 1.00 0.00 C ATOM 1482 C SER A 101 -11.620 9.707 7.571 1.00 0.00 C ATOM 1483 O SER A 101 -12.439 10.618 7.693 1.00 0.00 O ATOM 1484 CB SER A 101 -9.389 9.949 8.676 1.00 0.00 C ATOM 1485 OG SER A 101 -8.776 9.731 7.417 1.00 0.00 O ATOM 0 H SER A 101 -9.629 7.498 8.764 1.00 0.00 H new ATOM 0 HA SER A 101 -11.253 9.563 9.672 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.504 11.019 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.746 9.566 9.468 1.00 0.00 H new ATOM 0 HG SER A 101 -7.904 10.178 7.396 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.431 9.054 6.428 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.198 9.392 5.244 1.00 0.00 C ATOM 1493 C GLY A 102 -11.347 9.421 3.990 1.00 0.00 C ATOM 1494 O GLY A 102 -11.864 9.315 2.879 1.00 0.00 O ATOM 0 H GLY A 102 -10.760 8.296 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.002 8.667 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.666 10.366 5.384 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.038 9.567 4.168 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.114 9.611 3.042 1.00 0.00 C ATOM 1500 C ALA A 103 -9.431 8.515 2.030 1.00 0.00 C ATOM 1501 O ALA A 103 -9.695 7.372 2.400 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.679 9.482 3.531 1.00 0.00 C ATOM 0 H ALA A 103 -9.594 9.657 5.082 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.231 10.574 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.000 9.516 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.451 10.303 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.557 8.534 4.054 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.402 8.872 0.750 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.687 7.919 -0.317 1.00 0.00 C ATOM 1510 C PHE A 104 -8.419 7.573 -1.090 1.00 0.00 C ATOM 1511 O PHE A 104 -7.951 8.353 -1.918 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.741 8.488 -1.269 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.152 8.251 -0.813 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.815 7.083 -1.150 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.814 9.198 -0.047 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.115 6.863 -0.732 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.113 8.983 0.374 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.764 7.814 0.032 1.00 0.00 C ATOM 0 H PHE A 104 -9.184 9.814 0.426 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.073 7.007 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.579 9.560 -1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.607 8.043 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.312 6.336 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.309 10.114 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.622 5.949 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.618 9.729 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.778 7.643 0.361 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.867 6.396 -0.813 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.653 5.944 -1.483 1.00 0.00 C ATOM 1530 C VAL A 105 -6.975 5.289 -2.821 1.00 0.00 C ATOM 1531 O VAL A 105 -7.666 4.271 -2.875 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.869 4.946 -0.610 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.516 4.639 -1.235 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.702 5.488 0.801 1.00 0.00 C ATOM 0 H VAL A 105 -8.241 5.738 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.038 6.827 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.436 4.017 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.976 3.932 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.662 4.205 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.939 5.560 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.146 4.770 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.157 6.431 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.683 5.652 1.246 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.470 5.878 -3.899 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.704 5.353 -5.239 1.00 0.00 C ATOM 1546 C TYR A 106 -5.445 4.694 -5.794 1.00 0.00 C ATOM 1547 O TYR A 106 -4.345 5.235 -5.681 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.163 6.473 -6.174 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.421 7.172 -5.712 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.546 6.446 -5.338 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.485 8.558 -5.647 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.698 7.080 -4.915 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.632 9.201 -5.223 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.736 8.458 -4.859 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.882 9.094 -4.437 1.00 0.00 O ATOM 0 H TYR A 106 -5.895 6.720 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.488 4.598 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.363 7.207 -6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.332 6.058 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.519 5.367 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.623 9.143 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.564 6.501 -4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.664 10.280 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.743 10.064 -4.454 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.616 3.523 -6.396 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.495 2.788 -6.972 1.00 0.00 C ATOM 1567 C LEU A 107 -4.628 2.690 -8.488 1.00 0.00 C ATOM 1568 O LEU A 107 -5.474 1.955 -9.000 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.412 1.387 -6.364 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.823 1.267 -4.895 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.316 1.002 -4.780 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.030 0.166 -4.207 1.00 0.00 C ATOM 0 H LEU A 107 -6.520 3.062 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.579 3.332 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.042 0.719 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.387 1.029 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.602 2.211 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.591 0.919 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.868 1.824 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.561 0.072 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.336 0.095 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.219 -0.785 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.966 0.397 -4.259 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.788 3.432 -9.200 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.812 3.427 -10.658 1.00 0.00 C ATOM 1586 C ARG A 108 -2.453 3.022 -11.223 1.00 0.00 C ATOM 1587 O ARG A 108 -2.366 2.467 -12.317 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.205 4.807 -11.188 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.461 5.371 -10.544 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.031 6.527 -11.352 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.464 6.696 -11.129 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.237 7.477 -11.875 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.717 8.155 -12.889 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.534 7.580 -11.610 1.00 0.00 N ATOM 0 H ARG A 108 -3.082 4.045 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.553 2.696 -10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.380 5.499 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.356 4.744 -12.266 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.210 4.584 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.232 5.710 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.511 7.447 -11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.847 6.354 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.895 6.186 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.722 8.077 -13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.312 8.754 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.939 7.059 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.126 8.180 -12.184 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.396 3.306 -10.468 1.00 0.00 N ATOM 1609 CA GLN A 109 -0.042 2.972 -10.895 1.00 0.00 C ATOM 1610 C GLN A 109 0.508 1.799 -10.091 1.00 0.00 C ATOM 1611 O GLN A 109 0.892 1.937 -8.929 1.00 0.00 O ATOM 1612 CB GLN A 109 0.876 4.186 -10.744 1.00 0.00 C ATOM 1613 CG GLN A 109 0.920 5.074 -11.976 1.00 0.00 C ATOM 1614 CD GLN A 109 1.171 6.531 -11.638 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.034 7.178 -12.233 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.418 7.054 -10.678 1.00 0.00 N ATOM 0 H GLN A 109 -1.451 3.766 -9.559 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.079 2.682 -11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.544 4.778 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.885 3.842 -10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.704 4.720 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.023 4.988 -12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.285 6.481 -10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.543 8.029 -10.406 1.00 0.00 H new ATOM 1625 N PRO A 110 0.549 0.616 -10.722 1.00 0.00 N ATOM 1626 CA PRO A 110 1.052 -0.604 -10.084 1.00 0.00 C ATOM 1627 C PRO A 110 2.559 -0.562 -9.858 1.00 0.00 C ATOM 1628 O PRO A 110 3.332 -1.083 -10.662 1.00 0.00 O ATOM 1629 CB PRO A 110 0.692 -1.703 -11.087 1.00 0.00 C ATOM 1630 CG PRO A 110 0.616 -1.006 -12.401 1.00 0.00 C ATOM 1631 CD PRO A 110 0.108 0.380 -12.107 1.00 0.00 C ATOM 0 HA PRO A 110 0.621 -0.753 -9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.446 -2.490 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.257 -2.175 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.594 -0.969 -12.880 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.054 -1.530 -13.083 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.527 1.116 -12.793 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.976 0.439 -12.199 1.00 0.00 H new ATOM 1639 N TYR A 111 2.970 0.061 -8.760 1.00 0.00 N ATOM 1640 CA TYR A 111 4.386 0.174 -8.429 1.00 0.00 C ATOM 1641 C TYR A 111 5.115 -1.139 -8.702 1.00 0.00 C ATOM 1642 O TYR A 111 4.906 -2.135 -8.008 1.00 0.00 O ATOM 1643 CB TYR A 111 4.559 0.569 -6.961 1.00 0.00 C ATOM 1644 CG TYR A 111 5.864 1.277 -6.675 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.265 2.370 -7.435 1.00 0.00 C ATOM 1646 CD2 TYR A 111 6.697 0.853 -5.647 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.457 3.020 -7.177 1.00 0.00 C ATOM 1648 CE2 TYR A 111 7.889 1.498 -5.381 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.264 2.580 -6.150 1.00 0.00 C ATOM 1650 OH TYR A 111 9.452 3.224 -5.889 1.00 0.00 O ATOM 0 H TYR A 111 2.343 0.496 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 111 4.820 0.949 -9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.732 1.216 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.498 -0.327 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.635 2.717 -8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.407 0.004 -5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.754 3.868 -7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.523 1.157 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 111 9.331 4.190 -5.998 1.00 0.00 H new ATOM 1660 N TYR A 112 5.969 -1.133 -9.719 1.00 0.00 N ATOM 1661 CA TYR A 112 6.729 -2.322 -10.087 1.00 0.00 C ATOM 1662 C TYR A 112 7.997 -2.440 -9.247 1.00 0.00 C ATOM 1663 O TYR A 112 8.506 -1.446 -8.728 1.00 0.00 O ATOM 1664 CB TYR A 112 7.089 -2.283 -11.573 1.00 0.00 C ATOM 1665 CG TYR A 112 5.899 -2.063 -12.480 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.432 -0.783 -12.747 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.241 -3.137 -13.068 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.345 -0.577 -13.574 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.155 -2.941 -13.898 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.710 -1.659 -14.147 1.00 0.00 C ATOM 1671 OH TYR A 112 2.626 -1.459 -14.973 1.00 0.00 O ATOM 0 H TYR A 112 6.153 -0.318 -10.304 1.00 0.00 H new ATOM 0 HA TYR A 112 6.105 -3.195 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.815 -1.488 -11.741 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.574 -3.220 -11.845 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.927 0.066 -12.300 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.585 -4.142 -12.872 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.994 0.425 -13.771 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.657 -3.786 -14.350 1.00 0.00 H new ATOM 0 HH TYR A 112 2.292 -0.545 -14.859 1.00 0.00 H new ATOM 1681 N SER A 113 8.502 -3.663 -9.120 1.00 0.00 N ATOM 1682 CA SER A 113 9.709 -3.914 -8.341 1.00 0.00 C ATOM 1683 C SER A 113 10.832 -2.969 -8.760 1.00 0.00 C ATOM 1684 O SER A 113 11.355 -2.209 -7.946 1.00 0.00 O ATOM 1685 CB SER A 113 10.159 -5.366 -8.511 1.00 0.00 C ATOM 1686 OG SER A 113 11.092 -5.731 -7.509 1.00 0.00 O ATOM 0 H SER A 113 8.094 -4.495 -9.546 1.00 0.00 H new ATOM 0 HA SER A 113 9.478 -3.734 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.293 -6.026 -8.464 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.608 -5.498 -9.496 1.00 0.00 H new ATOM 0 HG SER A 113 11.363 -6.664 -7.638 1.00 0.00 H new ATOM 1692 N GLY A 114 11.197 -3.023 -10.038 1.00 0.00 N ATOM 1693 CA GLY A 114 12.255 -2.169 -10.544 1.00 0.00 C ATOM 1694 C GLY A 114 13.630 -2.785 -10.372 1.00 0.00 C ATOM 1695 O GLY A 114 13.900 -3.490 -9.400 1.00 0.00 O ATOM 0 H GLY A 114 10.778 -3.643 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.080 -1.967 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.223 -1.210 -10.027 1.00 0.00 H new ATOM 1699 N PRO A 115 14.526 -2.518 -11.334 1.00 0.00 N ATOM 1700 CA PRO A 115 15.894 -3.043 -11.308 1.00 0.00 C ATOM 1701 C PRO A 115 16.738 -2.406 -10.209 1.00 0.00 C ATOM 1702 O PRO A 115 17.296 -1.323 -10.391 1.00 0.00 O ATOM 1703 CB PRO A 115 16.444 -2.671 -12.688 1.00 0.00 C ATOM 1704 CG PRO A 115 15.642 -1.486 -13.106 1.00 0.00 C ATOM 1705 CD PRO A 115 14.272 -1.684 -12.521 1.00 0.00 C ATOM 0 HA PRO A 115 15.916 -4.113 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.507 -2.433 -12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.333 -3.494 -13.394 1.00 0.00 H new ATOM 0 HG2 PRO A 115 16.092 -0.562 -12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.595 -1.411 -14.192 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.808 -0.735 -12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.602 -2.179 -13.224 1.00 0.00 H new ATOM 1713 N SER A 116 16.828 -3.084 -9.070 1.00 0.00 N ATOM 1714 CA SER A 116 17.601 -2.582 -7.940 1.00 0.00 C ATOM 1715 C SER A 116 19.082 -2.487 -8.295 1.00 0.00 C ATOM 1716 O SER A 116 19.806 -3.482 -8.257 1.00 0.00 O ATOM 1717 CB SER A 116 17.414 -3.491 -6.724 1.00 0.00 C ATOM 1718 OG SER A 116 16.045 -3.612 -6.383 1.00 0.00 O ATOM 0 H SER A 116 16.375 -3.983 -8.905 1.00 0.00 H new ATOM 0 HA SER A 116 17.238 -1.583 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.827 -4.477 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 116 17.969 -3.088 -5.877 1.00 0.00 H new ATOM 0 HG SER A 116 15.953 -4.199 -5.604 1.00 0.00 H new ATOM 1724 N SER A 117 19.524 -1.283 -8.642 1.00 0.00 N ATOM 1725 CA SER A 117 20.918 -1.057 -9.008 1.00 0.00 C ATOM 1726 C SER A 117 21.522 0.073 -8.178 1.00 0.00 C ATOM 1727 O SER A 117 20.810 0.957 -7.703 1.00 0.00 O ATOM 1728 CB SER A 117 21.028 -0.727 -10.497 1.00 0.00 C ATOM 1729 OG SER A 117 20.330 -1.676 -11.284 1.00 0.00 O ATOM 0 H SER A 117 18.938 -0.449 -8.678 1.00 0.00 H new ATOM 0 HA SER A 117 21.475 -1.971 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 117 20.626 0.269 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 117 22.077 -0.707 -10.792 1.00 0.00 H new ATOM 0 HG SER A 117 19.365 -1.563 -11.154 1.00 0.00 H new ATOM 1735 N GLY A 118 22.840 0.035 -8.009 1.00 0.00 N ATOM 1736 CA GLY A 118 23.518 1.060 -7.237 1.00 0.00 C ATOM 1737 C GLY A 118 23.974 0.558 -5.881 1.00 0.00 C ATOM 1738 O GLY A 118 23.337 -0.338 -5.329 1.00 0.00 O ATOM 0 H GLY A 118 23.450 -0.687 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 118 24.381 1.421 -7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 118 22.849 1.910 -7.100 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 14.973 3.724 20.035 1.00 0.00 N ATOM 1744 CA ALA B 1 15.277 5.149 20.071 1.00 0.00 C ATOM 1745 C ALA B 1 15.165 5.770 18.683 1.00 0.00 C ATOM 1746 O ALA B 1 15.676 5.225 17.704 1.00 0.00 O ATOM 1747 CB ALA B 1 16.669 5.377 20.643 1.00 0.00 C ATOM 0 H1 ALA B 1 15.057 3.327 20.993 1.00 0.00 H new ATOM 0 H2 ALA B 1 14.003 3.585 19.686 1.00 0.00 H new ATOM 0 H3 ALA B 1 15.642 3.242 19.401 1.00 0.00 H new ATOM 0 HA ALA B 1 14.546 5.635 20.717 1.00 0.00 H new ATOM 0 HB1 ALA B 1 16.883 6.446 20.664 1.00 0.00 H new ATOM 0 HB2 ALA B 1 16.716 4.977 21.656 1.00 0.00 H new ATOM 0 HB3 ALA B 1 17.406 4.872 20.019 1.00 0.00 H new ATOM 1753 N THR B 2 14.492 6.914 18.604 1.00 0.00 N ATOM 1754 CA THR B 2 14.312 7.608 17.336 1.00 0.00 C ATOM 1755 C THR B 2 14.070 6.622 16.199 1.00 0.00 C ATOM 1756 O THR B 2 14.497 6.849 15.067 1.00 0.00 O ATOM 1757 CB THR B 2 15.534 8.480 16.993 1.00 0.00 C ATOM 1758 OG1 THR B 2 16.718 7.675 16.967 1.00 0.00 O ATOM 1759 CG2 THR B 2 15.700 9.602 18.007 1.00 0.00 C ATOM 0 H THR B 2 14.063 7.379 19.404 1.00 0.00 H new ATOM 0 HA THR B 2 13.438 8.250 17.449 1.00 0.00 H new ATOM 0 HB THR B 2 15.373 8.921 16.009 1.00 0.00 H new ATOM 0 HG1 THR B 2 17.490 8.236 16.747 1.00 0.00 H new ATOM 0 HG21 THR B 2 16.569 10.204 17.744 1.00 0.00 H new ATOM 0 HG22 THR B 2 14.809 10.230 18.004 1.00 0.00 H new ATOM 0 HG23 THR B 2 15.841 9.177 19.001 1.00 0.00 H new ATOM 1767 N GLU B 3 13.383 5.527 16.507 1.00 0.00 N ATOM 1768 CA GLU B 3 13.085 4.506 15.509 1.00 0.00 C ATOM 1769 C GLU B 3 12.048 5.010 14.509 1.00 0.00 C ATOM 1770 O GLU B 3 11.475 6.084 14.682 1.00 0.00 O ATOM 1771 CB GLU B 3 12.579 3.231 16.187 1.00 0.00 C ATOM 1772 CG GLU B 3 11.131 3.316 16.639 1.00 0.00 C ATOM 1773 CD GLU B 3 10.956 4.162 17.885 1.00 0.00 C ATOM 1774 OE1 GLU B 3 11.671 3.909 18.878 1.00 0.00 O ATOM 1775 OE2 GLU B 3 10.107 5.077 17.869 1.00 0.00 O ATOM 0 H GLU B 3 13.022 5.324 17.439 1.00 0.00 H new ATOM 0 HA GLU B 3 14.005 4.281 14.970 1.00 0.00 H new ATOM 0 HB2 GLU B 3 12.687 2.395 15.496 1.00 0.00 H new ATOM 0 HB3 GLU B 3 13.208 3.014 17.050 1.00 0.00 H new ATOM 0 HG2 GLU B 3 10.527 3.734 15.833 1.00 0.00 H new ATOM 0 HG3 GLU B 3 10.755 2.311 16.831 1.00 0.00 H new ATOM 1782 N GLN B 4 11.816 4.224 13.462 1.00 0.00 N ATOM 1783 CA GLN B 4 10.850 4.590 12.433 1.00 0.00 C ATOM 1784 C GLN B 4 9.773 3.519 12.290 1.00 0.00 C ATOM 1785 O GLN B 4 9.884 2.625 11.452 1.00 0.00 O ATOM 1786 CB GLN B 4 11.556 4.803 11.093 1.00 0.00 C ATOM 1787 CG GLN B 4 10.605 5.096 9.943 1.00 0.00 C ATOM 1788 CD GLN B 4 9.979 6.473 10.042 1.00 0.00 C ATOM 1789 OE1 GLN B 4 8.933 6.649 10.668 1.00 0.00 O ATOM 1790 NE2 GLN B 4 10.617 7.460 9.423 1.00 0.00 N ATOM 0 H GLN B 4 12.283 3.331 13.304 1.00 0.00 H new ATOM 0 HA GLN B 4 10.371 5.521 12.735 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.260 5.629 11.190 1.00 0.00 H new ATOM 0 HB3 GLN B 4 12.139 3.914 10.854 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.145 5.013 9.000 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.817 4.343 9.927 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.481 7.270 8.916 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.243 8.408 9.455 1.00 0.00 H new ATOM 1799 N GLU B 5 8.736 3.616 13.115 1.00 0.00 N ATOM 1800 CA GLU B 5 7.640 2.654 13.080 1.00 0.00 C ATOM 1801 C GLU B 5 6.398 3.267 12.440 1.00 0.00 C ATOM 1802 O GLU B 5 5.446 3.629 13.133 1.00 0.00 O ATOM 1803 CB GLU B 5 7.314 2.168 14.493 1.00 0.00 C ATOM 1804 CG GLU B 5 8.408 1.312 15.111 1.00 0.00 C ATOM 1805 CD GLU B 5 8.107 0.930 16.547 1.00 0.00 C ATOM 1806 OE1 GLU B 5 7.236 0.060 16.758 1.00 0.00 O ATOM 1807 OE2 GLU B 5 8.743 1.499 17.459 1.00 0.00 O ATOM 0 H GLU B 5 8.631 4.350 13.815 1.00 0.00 H new ATOM 0 HA GLU B 5 7.956 1.804 12.476 1.00 0.00 H new ATOM 0 HB2 GLU B 5 7.136 3.032 15.133 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.387 1.595 14.466 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.535 0.407 14.517 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.353 1.854 15.073 1.00 0.00 H new ATOM 1814 N ILE B 6 6.415 3.381 11.117 1.00 0.00 N ATOM 1815 CA ILE B 6 5.290 3.947 10.384 1.00 0.00 C ATOM 1816 C ILE B 6 3.966 3.386 10.888 1.00 0.00 C ATOM 1817 O ILE B 6 3.878 2.218 11.270 1.00 0.00 O ATOM 1818 CB ILE B 6 5.408 3.677 8.874 1.00 0.00 C ATOM 1819 CG1 ILE B 6 5.179 2.193 8.579 1.00 0.00 C ATOM 1820 CG2 ILE B 6 6.771 4.120 8.360 1.00 0.00 C ATOM 1821 CD1 ILE B 6 6.172 1.281 9.263 1.00 0.00 C ATOM 0 H ILE B 6 7.196 3.089 10.530 1.00 0.00 H new ATOM 0 HA ILE B 6 5.313 5.023 10.555 1.00 0.00 H new ATOM 0 HB ILE B 6 4.641 4.254 8.357 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.171 1.920 8.892 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.232 2.032 7.502 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.838 3.922 7.290 1.00 0.00 H new ATOM 0 HG22 ILE B 6 6.899 5.187 8.540 1.00 0.00 H new ATOM 0 HG23 ILE B 6 7.553 3.568 8.881 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.949 0.245 9.009 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.181 1.527 8.931 1.00 0.00 H new ATOM 0 HD13 ILE B 6 6.103 1.413 10.343 1.00 0.00 H new ATOM 1833 N THR B 7 2.933 4.223 10.886 1.00 0.00 N ATOM 1834 CA THR B 7 1.612 3.810 11.342 1.00 0.00 C ATOM 1835 C THR B 7 0.731 3.394 10.170 1.00 0.00 C ATOM 1836 O THR B 7 0.848 3.935 9.069 1.00 0.00 O ATOM 1837 CB THR B 7 0.910 4.937 12.123 1.00 0.00 C ATOM 1838 OG1 THR B 7 1.679 5.286 13.278 1.00 0.00 O ATOM 1839 CG2 THR B 7 -0.488 4.511 12.547 1.00 0.00 C ATOM 0 H THR B 7 2.986 5.192 10.573 1.00 0.00 H new ATOM 0 HA THR B 7 1.758 2.956 12.004 1.00 0.00 H new ATOM 0 HB THR B 7 0.826 5.805 11.469 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.226 6.004 13.768 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.965 5.323 13.097 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.080 4.275 11.663 1.00 0.00 H new ATOM 0 HG23 THR B 7 -0.422 3.630 13.185 1.00 0.00 H new HETATM 1847 N PTR B 8 -0.150 2.430 10.412 1.00 0.00 N HETATM 1848 CA PTR B 8 -1.051 1.940 9.375 1.00 0.00 C HETATM 1849 C PTR B 8 -2.422 2.597 9.489 1.00 0.00 C HETATM 1850 O PTR B 8 -2.842 2.999 10.574 1.00 0.00 O HETATM 1851 CB PTR B 8 -1.192 0.420 9.470 1.00 0.00 C HETATM 1852 CG PTR B 8 0.079 -0.328 9.139 1.00 0.00 C HETATM 1853 CD1 PTR B 8 0.120 -1.234 8.086 1.00 0.00 C HETATM 1854 CD2 PTR B 8 1.239 -0.130 9.878 1.00 0.00 C HETATM 1855 CE1 PTR B 8 1.280 -1.921 7.780 1.00 0.00 C HETATM 1856 CE2 PTR B 8 2.402 -0.811 9.577 1.00 0.00 C HETATM 1857 CZ PTR B 8 2.418 -1.706 8.528 1.00 0.00 C HETATM 1858 OH PTR B 8 3.575 -2.388 8.227 1.00 0.00 O HETATM 1859 P PTR B 8 4.393 -3.305 9.252 1.00 0.00 P HETATM 1860 O1P PTR B 8 5.005 -4.444 8.532 1.00 0.00 O HETATM 1861 O2P PTR B 8 5.463 -2.513 9.897 1.00 0.00 O HETATM 1862 O3P PTR B 8 3.486 -3.829 10.297 1.00 0.00 O HETATM 0 HE2 PTR B 8 3.303 -0.642 10.166 1.00 0.00 H new HETATM 0 HE1 PTR B 8 1.295 -2.629 6.951 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.231 0.575 10.709 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -0.777 -1.406 7.492 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.507 0.155 10.479 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.982 0.094 8.794 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.624 2.199 8.406 1.00 0.00 H new ATOM 1871 N ALA B 9 -3.116 2.702 8.361 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.442 3.308 8.332 1.00 0.00 C ATOM 1873 C ALA B 9 -5.507 2.321 8.797 1.00 0.00 C ATOM 1874 O ALA B 9 -5.467 1.141 8.448 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.762 3.813 6.933 1.00 0.00 C ATOM 0 H ALA B 9 -2.782 2.375 7.454 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.443 4.154 9.020 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.755 4.263 6.927 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -4.024 4.559 6.638 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.737 2.980 6.231 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.457 2.811 9.587 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.532 1.970 10.101 1.00 0.00 C ATOM 1883 C GLU B 10 -8.782 2.095 9.236 1.00 0.00 C ATOM 1884 O GLU B 10 -9.775 2.699 9.643 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.859 2.348 11.547 1.00 0.00 C ATOM 1886 CG GLU B 10 -8.665 1.293 12.285 1.00 0.00 C ATOM 1887 CD GLU B 10 -8.524 1.397 13.791 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -7.378 1.350 14.285 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -9.560 1.528 14.476 1.00 0.00 O ATOM 0 H GLU B 10 -6.504 3.785 9.885 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.193 0.934 10.072 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -6.929 2.525 12.086 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.414 3.286 11.552 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -9.717 1.390 12.015 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.343 0.303 11.961 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.727 1.520 8.040 1.00 0.00 N ATOM 1897 CA LEU B 11 -9.853 1.567 7.115 1.00 0.00 C ATOM 1898 C LEU B 11 -11.172 1.346 7.851 1.00 0.00 C ATOM 1899 O LEU B 11 -11.192 0.830 8.967 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.685 0.513 6.020 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.817 0.916 4.827 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -7.590 1.683 5.296 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.407 -0.311 4.026 1.00 0.00 C ATOM 0 H LEU B 11 -7.914 1.015 7.688 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.874 2.556 6.658 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.257 -0.383 6.469 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.674 0.242 5.649 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.403 1.568 4.179 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -6.984 1.962 4.434 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -7.904 2.583 5.825 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.002 1.055 5.965 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.790 -0.005 3.181 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -7.839 -0.989 4.663 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.298 -0.820 3.659 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.270 1.740 7.216 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.594 1.583 7.810 1.00 0.00 C ATOM 1917 C ASN B 12 -14.482 0.702 6.936 1.00 0.00 C ATOM 1918 O ASN B 12 -14.511 0.849 5.714 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.252 2.950 8.009 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.689 2.837 8.478 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.623 2.908 7.678 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -15.874 2.662 9.781 1.00 0.00 N ATOM 0 H ASN B 12 -12.271 2.170 6.291 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.474 1.100 8.780 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -13.679 3.523 8.738 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.221 3.505 7.071 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.819 2.581 10.156 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -15.071 2.609 10.408 1.00 0.00 H new ATOM 1929 N LEU B 13 -15.204 -0.215 7.572 1.00 0.00 N ATOM 1930 CA LEU B 13 -16.093 -1.120 6.854 1.00 0.00 C ATOM 1931 C LEU B 13 -17.322 -1.457 7.694 1.00 0.00 C ATOM 1932 O LEU B 13 -17.506 -0.917 8.784 1.00 0.00 O ATOM 1933 CB LEU B 13 -15.352 -2.404 6.477 1.00 0.00 C ATOM 1934 CG LEU B 13 -13.874 -2.243 6.117 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -13.019 -2.201 7.374 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -13.423 -3.372 5.201 1.00 0.00 C ATOM 0 H LEU B 13 -15.191 -0.351 8.583 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.423 -0.618 5.944 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -15.429 -3.102 7.310 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.864 -2.861 5.630 1.00 0.00 H new ATOM 0 HG LEU B 13 -13.750 -1.299 5.587 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -11.971 -2.086 7.097 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.325 -1.359 7.994 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -13.147 -3.128 7.932 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -12.369 -3.242 4.955 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -13.562 -4.328 5.706 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -14.014 -3.356 4.285 1.00 0.00 H new ATOM 1948 N GLN B 14 -18.157 -2.354 7.179 1.00 0.00 N ATOM 1949 CA GLN B 14 -19.366 -2.764 7.882 1.00 0.00 C ATOM 1950 C GLN B 14 -19.112 -2.874 9.383 1.00 0.00 C ATOM 1951 O GLN B 14 -19.923 -2.427 10.195 1.00 0.00 O ATOM 1952 CB GLN B 14 -19.870 -4.101 7.338 1.00 0.00 C ATOM 1953 CG GLN B 14 -18.841 -5.218 7.422 1.00 0.00 C ATOM 1954 CD GLN B 14 -19.379 -6.544 6.924 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -19.601 -7.470 7.707 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -19.593 -6.646 5.618 1.00 0.00 N ATOM 0 H GLN B 14 -18.018 -2.810 6.277 1.00 0.00 H new ATOM 0 HA GLN B 14 -20.128 -2.003 7.716 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -20.761 -4.397 7.892 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -20.169 -3.971 6.298 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -17.963 -4.943 6.837 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -18.513 -5.328 8.456 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -19.396 -5.855 5.006 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -19.955 -7.516 5.227 1.00 0.00 H new ATOM 1965 N LYS B 15 -17.981 -3.472 9.744 1.00 0.00 N ATOM 1966 CA LYS B 15 -17.619 -3.641 11.146 1.00 0.00 C ATOM 1967 C LYS B 15 -18.002 -2.408 11.959 1.00 0.00 C ATOM 1968 O LYS B 15 -17.695 -2.318 13.148 1.00 0.00 O ATOM 1969 CB LYS B 15 -16.117 -3.905 11.277 1.00 0.00 C ATOM 1970 CG LYS B 15 -15.253 -2.749 10.806 1.00 0.00 C ATOM 1971 CD LYS B 15 -13.789 -3.148 10.714 1.00 0.00 C ATOM 1972 CE LYS B 15 -13.067 -2.927 12.034 1.00 0.00 C ATOM 1973 NZ LYS B 15 -12.745 -1.490 12.257 1.00 0.00 N ATOM 0 H LYS B 15 -17.300 -3.848 9.084 1.00 0.00 H new ATOM 0 HA LYS B 15 -18.168 -4.497 11.537 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -15.884 -4.120 12.320 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -15.862 -4.796 10.703 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -15.600 -2.408 9.831 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -15.360 -1.910 11.494 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -13.714 -4.197 10.428 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -13.301 -2.569 9.930 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -13.688 -3.291 12.853 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -12.147 -3.511 12.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -12.180 -1.391 13.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -12.203 -1.126 11.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -13.627 -0.948 12.355 1.00 0.00 H new TER 1987 LYS B 15