USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 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 91 HIS : no HD1:sc= -1.21 K(o=-0.49,f=0.6) USER MOD Set 1.2: A 95 THR OG1 : rot -105:sc= 0.717 USER MOD Set 2.1: A 46 SER OG : rot 72:sc= 0.352 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -1.06 X(o=-0.71,f=-0.4) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -1.62 K(o=-1.8,f=-6.2!) USER MOD Set 3.2: A 13 MET CE :methyl -160:sc= -0.16 (180deg=-0.0751) 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 173:sc= 0.0293 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 14 SER OG : rot 180:sc= -0.414 USER MOD Single : A 17 GLN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -5.07! C(o=-5.1!,f=-7.6!) USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= -0.476 (180deg=-1.27) USER MOD Single : A 30 THR OG1 : rot 126:sc= 1.21 USER MOD Single : A 36 SER OG : rot -48:sc= -0.527 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.977 K(o=-0.98,f=-1.8!) USER MOD Single : A 49 SER OG : rot -79:sc= 0.613 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -59:sc= 0.0572 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= -1.07 (180deg=-4.41!) USER MOD Single : A 68 MET CE :methyl -108:sc= -1.43 (180deg=-7.72!) USER MOD Single : A 69 CYS SG : rot 39:sc= 0.626 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -140:sc= 1.05 USER MOD Single : A 81 THR OG1 : rot 50:sc= 0.0745 USER MOD Single : A 84 SER OG : rot 41:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -140:sc= -0.199 (180deg=-1.68!) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -1.01 (180deg=-1.31) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -6.29! C(o=-6.3!,f=-8.8!) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.099 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : B 4 GLN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.965 K(o=-0.97,f=-2) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.130 -1.278 -21.902 1.00 0.00 N ATOM 2 CA GLY A 1 13.928 -2.394 -22.375 1.00 0.00 C ATOM 3 C GLY A 1 13.834 -3.602 -21.464 1.00 0.00 C ATOM 4 O GLY A 1 12.949 -4.442 -21.626 1.00 0.00 O ATOM 0 H1 GLY A 1 13.228 -0.478 -22.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.131 -1.563 -21.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.458 -0.992 -20.957 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.600 -2.672 -23.377 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.970 -2.083 -22.455 1.00 0.00 H new ATOM 8 N SER A 2 14.749 -3.690 -20.504 1.00 0.00 N ATOM 9 CA SER A 2 14.769 -4.806 -19.567 1.00 0.00 C ATOM 10 C SER A 2 13.829 -4.547 -18.393 1.00 0.00 C ATOM 11 O SER A 2 13.680 -3.412 -17.942 1.00 0.00 O ATOM 12 CB SER A 2 16.191 -5.044 -19.054 1.00 0.00 C ATOM 13 OG SER A 2 16.190 -5.906 -17.929 1.00 0.00 O ATOM 0 H SER A 2 15.486 -3.001 -20.355 1.00 0.00 H new ATOM 0 HA SER A 2 14.427 -5.697 -20.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.799 -5.478 -19.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.648 -4.092 -18.786 1.00 0.00 H new ATOM 0 HG SER A 2 17.110 -6.044 -17.621 1.00 0.00 H new ATOM 19 N SER A 3 13.198 -5.609 -17.903 1.00 0.00 N ATOM 20 CA SER A 3 12.270 -5.497 -16.784 1.00 0.00 C ATOM 21 C SER A 3 12.756 -6.315 -15.591 1.00 0.00 C ATOM 22 O SER A 3 12.739 -7.544 -15.617 1.00 0.00 O ATOM 23 CB SER A 3 10.875 -5.967 -17.202 1.00 0.00 C ATOM 24 OG SER A 3 10.369 -5.178 -18.266 1.00 0.00 O ATOM 0 H SER A 3 13.312 -6.556 -18.263 1.00 0.00 H new ATOM 0 HA SER A 3 12.221 -4.449 -16.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.916 -7.012 -17.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.198 -5.911 -16.349 1.00 0.00 H new ATOM 0 HG SER A 3 9.478 -5.499 -18.516 1.00 0.00 H new ATOM 30 N GLY A 4 13.191 -5.620 -14.544 1.00 0.00 N ATOM 31 CA GLY A 4 13.677 -6.296 -13.355 1.00 0.00 C ATOM 32 C GLY A 4 12.593 -6.486 -12.312 1.00 0.00 C ATOM 33 O GLY A 4 12.823 -6.272 -11.122 1.00 0.00 O ATOM 0 H GLY A 4 13.215 -4.601 -14.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.083 -7.268 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.496 -5.721 -12.923 1.00 0.00 H new ATOM 37 N SER A 5 11.409 -6.888 -12.760 1.00 0.00 N ATOM 38 CA SER A 5 10.283 -7.101 -11.858 1.00 0.00 C ATOM 39 C SER A 5 9.128 -7.785 -12.583 1.00 0.00 C ATOM 40 O SER A 5 9.051 -7.762 -13.811 1.00 0.00 O ATOM 41 CB SER A 5 9.814 -5.769 -11.269 1.00 0.00 C ATOM 42 OG SER A 5 8.991 -5.976 -10.134 1.00 0.00 O ATOM 0 H SER A 5 11.204 -7.073 -13.742 1.00 0.00 H new ATOM 0 HA SER A 5 10.616 -7.750 -11.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.678 -5.166 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.264 -5.207 -12.024 1.00 0.00 H new ATOM 0 HG SER A 5 8.792 -5.114 -9.712 1.00 0.00 H new ATOM 48 N SER A 6 8.231 -8.393 -11.812 1.00 0.00 N ATOM 49 CA SER A 6 7.081 -9.088 -12.380 1.00 0.00 C ATOM 50 C SER A 6 5.789 -8.643 -11.702 1.00 0.00 C ATOM 51 O SER A 6 5.358 -9.234 -10.714 1.00 0.00 O ATOM 52 CB SER A 6 7.250 -10.602 -12.236 1.00 0.00 C ATOM 53 OG SER A 6 8.291 -11.080 -13.072 1.00 0.00 O ATOM 0 H SER A 6 8.278 -8.418 -10.793 1.00 0.00 H new ATOM 0 HA SER A 6 7.022 -8.836 -13.439 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.470 -10.850 -11.198 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.315 -11.102 -12.491 1.00 0.00 H new ATOM 0 HG SER A 6 8.381 -12.050 -12.961 1.00 0.00 H new ATOM 59 N GLY A 7 5.176 -7.595 -12.244 1.00 0.00 N ATOM 60 CA GLY A 7 3.939 -7.086 -11.679 1.00 0.00 C ATOM 61 C GLY A 7 4.169 -5.936 -10.719 1.00 0.00 C ATOM 62 O GLY A 7 5.113 -5.163 -10.882 1.00 0.00 O ATOM 0 H GLY A 7 5.513 -7.090 -13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.284 -6.756 -12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.423 -7.892 -11.158 1.00 0.00 H new ATOM 66 N TRP A 8 3.303 -5.820 -9.718 1.00 0.00 N ATOM 67 CA TRP A 8 3.417 -4.754 -8.730 1.00 0.00 C ATOM 68 C TRP A 8 3.865 -5.307 -7.381 1.00 0.00 C ATOM 69 O TRP A 8 3.816 -4.610 -6.367 1.00 0.00 O ATOM 70 CB TRP A 8 2.079 -4.027 -8.578 1.00 0.00 C ATOM 71 CG TRP A 8 0.893 -4.903 -8.846 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.041 -4.828 -9.910 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.428 -5.987 -8.032 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.927 -5.799 -9.807 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.711 -6.524 -8.666 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.863 -6.557 -6.834 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.417 -7.600 -8.137 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.160 -7.625 -6.310 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.969 -8.138 -6.962 1.00 0.00 C ATOM 0 H TRP A 8 2.515 -6.451 -9.570 1.00 0.00 H new ATOM 0 HA TRP A 8 4.170 -4.047 -9.080 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.004 -3.626 -7.567 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.056 -3.177 -9.260 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.116 -4.111 -10.714 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.684 -5.954 -10.473 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.734 -6.170 -6.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.288 -7.997 -8.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.486 -8.072 -5.382 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.496 -8.975 -6.528 1.00 0.00 H new ATOM 90 N TYR A 9 4.299 -6.562 -7.377 1.00 0.00 N ATOM 91 CA TYR A 9 4.754 -7.209 -6.151 1.00 0.00 C ATOM 92 C TYR A 9 6.238 -6.948 -5.916 1.00 0.00 C ATOM 93 O TYR A 9 7.051 -7.043 -6.837 1.00 0.00 O ATOM 94 CB TYR A 9 4.493 -8.714 -6.217 1.00 0.00 C ATOM 95 CG TYR A 9 4.863 -9.449 -4.949 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.236 -9.154 -3.744 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.840 -10.436 -4.954 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.570 -9.823 -2.582 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.180 -11.111 -3.798 1.00 0.00 C ATOM 100 CZ TYR A 9 5.542 -10.801 -2.614 1.00 0.00 C ATOM 101 OH TYR A 9 5.880 -11.469 -1.459 1.00 0.00 O ATOM 0 H TYR A 9 4.346 -7.152 -8.208 1.00 0.00 H new ATOM 0 HA TYR A 9 4.193 -6.786 -5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.437 -8.882 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.057 -9.136 -7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.475 -8.389 -3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.343 -10.680 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.073 -9.581 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.941 -11.877 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 9 6.580 -12.126 -1.654 1.00 0.00 H new ATOM 111 N HIS A 10 6.586 -6.619 -4.676 1.00 0.00 N ATOM 112 CA HIS A 10 7.973 -6.346 -4.318 1.00 0.00 C ATOM 113 C HIS A 10 8.540 -7.465 -3.448 1.00 0.00 C ATOM 114 O HIS A 10 9.330 -8.285 -3.913 1.00 0.00 O ATOM 115 CB HIS A 10 8.079 -5.009 -3.583 1.00 0.00 C ATOM 116 CG HIS A 10 8.280 -3.838 -4.494 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.438 -3.089 -4.512 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.464 -3.290 -5.426 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.324 -2.129 -5.413 1.00 0.00 C ATOM 120 NE2 HIS A 10 8.137 -2.230 -5.982 1.00 0.00 N ATOM 0 H HIS A 10 5.926 -6.535 -3.902 1.00 0.00 H new ATOM 0 HA HIS A 10 8.556 -6.293 -5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.172 -4.852 -2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.909 -5.057 -2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.470 -3.624 -5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.074 -1.388 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.778 -1.619 -6.716 1.00 0.00 H new ATOM 129 N GLY A 11 8.132 -7.489 -2.183 1.00 0.00 N ATOM 130 CA GLY A 11 8.609 -8.510 -1.269 1.00 0.00 C ATOM 131 C GLY A 11 9.039 -7.936 0.067 1.00 0.00 C ATOM 132 O GLY A 11 8.532 -6.899 0.498 1.00 0.00 O ATOM 0 H GLY A 11 7.480 -6.820 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.821 -9.246 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.449 -9.036 -1.723 1.00 0.00 H new ATOM 136 N HIS A 12 9.974 -8.612 0.727 1.00 0.00 N ATOM 137 CA HIS A 12 10.470 -8.164 2.023 1.00 0.00 C ATOM 138 C HIS A 12 10.701 -6.656 2.025 1.00 0.00 C ATOM 139 O HIS A 12 11.647 -6.163 1.413 1.00 0.00 O ATOM 140 CB HIS A 12 11.768 -8.892 2.375 1.00 0.00 C ATOM 141 CG HIS A 12 12.154 -8.766 3.817 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.285 -8.100 4.238 1.00 0.00 N ATOM 143 CD2 HIS A 12 11.549 -9.223 4.938 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.362 -8.156 5.555 1.00 0.00 C ATOM 145 NE2 HIS A 12 12.319 -8.831 6.005 1.00 0.00 N ATOM 0 H HIS A 12 10.403 -9.472 0.386 1.00 0.00 H new ATOM 0 HA HIS A 12 9.716 -8.398 2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.661 -9.948 2.127 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.575 -8.499 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.631 -9.790 4.985 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.144 -7.724 6.161 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.119 -9.029 6.985 1.00 0.00 H new ATOM 154 N MET A 13 9.829 -5.930 2.716 1.00 0.00 N ATOM 155 CA MET A 13 9.938 -4.478 2.798 1.00 0.00 C ATOM 156 C MET A 13 8.974 -3.917 3.838 1.00 0.00 C ATOM 157 O MET A 13 7.795 -4.269 3.857 1.00 0.00 O ATOM 158 CB MET A 13 9.659 -3.846 1.432 1.00 0.00 C ATOM 159 CG MET A 13 9.842 -2.338 1.411 1.00 0.00 C ATOM 160 SD MET A 13 8.988 -1.554 0.030 1.00 0.00 S ATOM 161 CE MET A 13 9.817 -2.321 -1.359 1.00 0.00 C ATOM 0 H MET A 13 9.039 -6.323 3.227 1.00 0.00 H new ATOM 0 HA MET A 13 10.955 -4.232 3.103 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.321 -4.294 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.638 -4.084 1.132 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.473 -1.918 2.347 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.905 -2.106 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.672 -1.711 -2.251 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.883 -2.405 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.402 -3.315 -1.527 1.00 0.00 H new ATOM 171 N SER A 14 9.483 -3.044 4.700 1.00 0.00 N ATOM 172 CA SER A 14 8.667 -2.438 5.747 1.00 0.00 C ATOM 173 C SER A 14 8.170 -1.061 5.318 1.00 0.00 C ATOM 174 O SER A 14 8.784 -0.400 4.481 1.00 0.00 O ATOM 175 CB SER A 14 9.469 -2.323 7.046 1.00 0.00 C ATOM 176 OG SER A 14 8.625 -2.440 8.177 1.00 0.00 O ATOM 0 H SER A 14 10.457 -2.740 4.695 1.00 0.00 H new ATOM 0 HA SER A 14 7.803 -3.080 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.232 -3.100 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.988 -1.365 7.073 1.00 0.00 H new ATOM 0 HG SER A 14 9.161 -2.365 8.994 1.00 0.00 H new ATOM 182 N GLY A 15 7.053 -0.635 5.899 1.00 0.00 N ATOM 183 CA GLY A 15 6.490 0.661 5.565 1.00 0.00 C ATOM 184 C GLY A 15 7.511 1.778 5.665 1.00 0.00 C ATOM 185 O GLY A 15 7.306 2.865 5.126 1.00 0.00 O ATOM 0 H GLY A 15 6.527 -1.164 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.088 0.629 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.655 0.875 6.233 1.00 0.00 H new ATOM 189 N GLY A 16 8.612 1.512 6.359 1.00 0.00 N ATOM 190 CA GLY A 16 9.651 2.514 6.516 1.00 0.00 C ATOM 191 C GLY A 16 10.442 2.734 5.242 1.00 0.00 C ATOM 192 O GLY A 16 10.945 3.831 5.000 1.00 0.00 O ATOM 0 H GLY A 16 8.804 0.620 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.199 3.456 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.329 2.208 7.313 1.00 0.00 H new ATOM 196 N GLN A 17 10.553 1.690 4.428 1.00 0.00 N ATOM 197 CA GLN A 17 11.291 1.774 3.173 1.00 0.00 C ATOM 198 C GLN A 17 10.398 2.295 2.051 1.00 0.00 C ATOM 199 O GLN A 17 10.737 3.265 1.375 1.00 0.00 O ATOM 200 CB GLN A 17 11.858 0.405 2.797 1.00 0.00 C ATOM 201 CG GLN A 17 12.860 0.454 1.655 1.00 0.00 C ATOM 202 CD GLN A 17 12.455 1.427 0.565 1.00 0.00 C ATOM 203 OE1 GLN A 17 11.406 1.275 -0.061 1.00 0.00 O ATOM 204 NE2 GLN A 17 13.287 2.437 0.334 1.00 0.00 N ATOM 0 H GLN A 17 10.141 0.776 4.615 1.00 0.00 H new ATOM 0 HA GLN A 17 12.115 2.474 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.338 -0.033 3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.036 -0.256 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.837 0.738 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.966 -0.543 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.146 2.524 0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.067 3.125 -0.386 1.00 0.00 H new ATOM 213 N ALA A 18 9.257 1.643 1.859 1.00 0.00 N ATOM 214 CA ALA A 18 8.315 2.040 0.820 1.00 0.00 C ATOM 215 C ALA A 18 8.215 3.558 0.722 1.00 0.00 C ATOM 216 O ALA A 18 8.442 4.137 -0.339 1.00 0.00 O ATOM 217 CB ALA A 18 6.946 1.434 1.089 1.00 0.00 C ATOM 0 H ALA A 18 8.962 0.837 2.410 1.00 0.00 H new ATOM 0 HA ALA A 18 8.684 1.664 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.253 1.739 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.025 0.347 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.578 1.781 2.054 1.00 0.00 H new ATOM 223 N GLU A 19 7.871 4.197 1.837 1.00 0.00 N ATOM 224 CA GLU A 19 7.740 5.649 1.875 1.00 0.00 C ATOM 225 C GLU A 19 8.810 6.316 1.014 1.00 0.00 C ATOM 226 O GLU A 19 8.548 7.309 0.335 1.00 0.00 O ATOM 227 CB GLU A 19 7.841 6.155 3.315 1.00 0.00 C ATOM 228 CG GLU A 19 6.509 6.183 4.045 1.00 0.00 C ATOM 229 CD GLU A 19 6.483 7.197 5.173 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.661 8.400 4.893 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.281 6.786 6.334 1.00 0.00 O ATOM 0 H GLU A 19 7.678 3.732 2.724 1.00 0.00 H new ATOM 0 HA GLU A 19 6.761 5.910 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.535 5.520 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.264 7.160 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.715 6.414 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.298 5.192 4.447 1.00 0.00 H new ATOM 238 N THR A 20 10.018 5.761 1.046 1.00 0.00 N ATOM 239 CA THR A 20 11.128 6.301 0.272 1.00 0.00 C ATOM 240 C THR A 20 10.952 6.013 -1.215 1.00 0.00 C ATOM 241 O THR A 20 10.961 6.927 -2.040 1.00 0.00 O ATOM 242 CB THR A 20 12.475 5.719 0.740 1.00 0.00 C ATOM 243 OG1 THR A 20 12.651 5.958 2.141 1.00 0.00 O ATOM 244 CG2 THR A 20 13.629 6.336 -0.035 1.00 0.00 C ATOM 0 H THR A 20 10.252 4.937 1.600 1.00 0.00 H new ATOM 0 HA THR A 20 11.131 7.379 0.433 1.00 0.00 H new ATOM 0 HB THR A 20 12.467 4.645 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.509 5.584 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.570 5.910 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.507 6.127 -1.098 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.639 7.414 0.124 1.00 0.00 H new ATOM 252 N LEU A 21 10.792 4.737 -1.551 1.00 0.00 N ATOM 253 CA LEU A 21 10.613 4.329 -2.939 1.00 0.00 C ATOM 254 C LEU A 21 9.400 5.016 -3.557 1.00 0.00 C ATOM 255 O LEU A 21 9.533 5.833 -4.470 1.00 0.00 O ATOM 256 CB LEU A 21 10.452 2.811 -3.028 1.00 0.00 C ATOM 257 CG LEU A 21 11.728 1.989 -2.838 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.409 0.502 -2.832 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.739 2.314 -3.928 1.00 0.00 C ATOM 0 H LEU A 21 10.783 3.968 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 21 11.501 4.628 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.727 2.498 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.028 2.567 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 21 12.165 2.250 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.329 -0.067 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.721 0.281 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.948 0.225 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.640 1.720 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.310 2.082 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.991 3.374 -3.886 1.00 0.00 H new ATOM 271 N LEU A 22 8.216 4.684 -3.053 1.00 0.00 N ATOM 272 CA LEU A 22 6.978 5.270 -3.554 1.00 0.00 C ATOM 273 C LEU A 22 7.176 6.743 -3.902 1.00 0.00 C ATOM 274 O LEU A 22 7.028 7.142 -5.056 1.00 0.00 O ATOM 275 CB LEU A 22 5.866 5.125 -2.515 1.00 0.00 C ATOM 276 CG LEU A 22 5.031 3.846 -2.600 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.063 3.762 -1.431 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.280 3.786 -3.922 1.00 0.00 C ATOM 0 H LEU A 22 8.088 4.011 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 22 6.692 4.736 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.314 5.177 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.196 5.980 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 22 5.705 2.991 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.478 2.846 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.622 3.757 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.394 4.622 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.691 2.870 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.617 4.647 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.993 3.798 -4.746 1.00 0.00 H new ATOM 290 N GLN A 23 7.511 7.543 -2.895 1.00 0.00 N ATOM 291 CA GLN A 23 7.731 8.971 -3.096 1.00 0.00 C ATOM 292 C GLN A 23 8.755 9.215 -4.199 1.00 0.00 C ATOM 293 O GLN A 23 8.647 10.178 -4.956 1.00 0.00 O ATOM 294 CB GLN A 23 8.199 9.624 -1.795 1.00 0.00 C ATOM 295 CG GLN A 23 7.165 9.575 -0.682 1.00 0.00 C ATOM 296 CD GLN A 23 7.777 9.757 0.693 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.988 9.621 0.869 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.940 10.067 1.677 1.00 0.00 N ATOM 0 H GLN A 23 7.636 7.228 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 23 6.785 9.419 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.109 9.128 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.458 10.664 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.420 10.353 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.642 8.619 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.943 10.170 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.294 10.202 2.624 1.00 0.00 H new ATOM 307 N ALA A 24 9.748 8.335 -4.283 1.00 0.00 N ATOM 308 CA ALA A 24 10.791 8.455 -5.294 1.00 0.00 C ATOM 309 C ALA A 24 10.204 8.375 -6.700 1.00 0.00 C ATOM 310 O ALA A 24 10.701 9.014 -7.628 1.00 0.00 O ATOM 311 CB ALA A 24 11.843 7.373 -5.098 1.00 0.00 C ATOM 0 H ALA A 24 9.852 7.532 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 24 11.263 9.431 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.616 7.475 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.292 7.476 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.376 6.392 -5.183 1.00 0.00 H new ATOM 317 N LYS A 25 9.145 7.587 -6.849 1.00 0.00 N ATOM 318 CA LYS A 25 8.489 7.424 -8.142 1.00 0.00 C ATOM 319 C LYS A 25 7.976 8.762 -8.664 1.00 0.00 C ATOM 320 O LYS A 25 8.107 9.068 -9.849 1.00 0.00 O ATOM 321 CB LYS A 25 7.331 6.431 -8.027 1.00 0.00 C ATOM 322 CG LYS A 25 7.093 5.625 -9.292 1.00 0.00 C ATOM 323 CD LYS A 25 6.845 6.527 -10.490 1.00 0.00 C ATOM 324 CE LYS A 25 6.440 5.724 -11.717 1.00 0.00 C ATOM 325 NZ LYS A 25 5.143 5.019 -11.514 1.00 0.00 N ATOM 0 H LYS A 25 8.722 7.051 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 25 9.223 7.036 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.531 5.747 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.420 6.975 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.956 4.989 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.237 4.966 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.062 7.246 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.747 7.099 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.361 6.389 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.217 4.996 -11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.525 5.185 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.315 3.998 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.682 5.380 -10.655 1.00 0.00 H new ATOM 339 N GLY A 26 7.393 9.557 -7.772 1.00 0.00 N ATOM 340 CA GLY A 26 6.871 10.853 -8.163 1.00 0.00 C ATOM 341 C GLY A 26 5.512 10.755 -8.827 1.00 0.00 C ATOM 342 O GLY A 26 4.997 11.744 -9.349 1.00 0.00 O ATOM 0 H GLY A 26 7.273 9.326 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.797 11.492 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.572 11.332 -8.846 1.00 0.00 H new ATOM 346 N GLU A 27 4.933 9.559 -8.810 1.00 0.00 N ATOM 347 CA GLU A 27 3.626 9.335 -9.419 1.00 0.00 C ATOM 348 C GLU A 27 2.554 9.142 -8.351 1.00 0.00 C ATOM 349 O GLU A 27 2.626 8.236 -7.520 1.00 0.00 O ATOM 350 CB GLU A 27 3.671 8.115 -10.340 1.00 0.00 C ATOM 351 CG GLU A 27 4.472 8.339 -11.612 1.00 0.00 C ATOM 352 CD GLU A 27 3.737 9.204 -12.619 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.271 10.297 -12.232 1.00 0.00 O ATOM 354 OE2 GLU A 27 3.630 8.790 -13.791 1.00 0.00 O ATOM 0 H GLU A 27 5.347 8.731 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 27 3.372 10.216 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.100 7.275 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.652 7.835 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.423 8.809 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.703 7.375 -12.066 1.00 0.00 H new ATOM 361 N PRO A 28 1.534 10.013 -8.372 1.00 0.00 N ATOM 362 CA PRO A 28 0.428 9.960 -7.412 1.00 0.00 C ATOM 363 C PRO A 28 -0.473 8.750 -7.634 1.00 0.00 C ATOM 364 O PRO A 28 -0.542 8.210 -8.739 1.00 0.00 O ATOM 365 CB PRO A 28 -0.340 11.256 -7.683 1.00 0.00 C ATOM 366 CG PRO A 28 -0.022 11.595 -9.099 1.00 0.00 C ATOM 367 CD PRO A 28 1.384 11.118 -9.333 1.00 0.00 C ATOM 0 HA PRO A 28 0.783 9.866 -6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.412 11.119 -7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.027 12.051 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.718 11.109 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.104 12.668 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.528 10.780 -10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.112 11.909 -9.153 1.00 0.00 H new ATOM 375 N TRP A 29 -1.164 8.331 -6.580 1.00 0.00 N ATOM 376 CA TRP A 29 -2.062 7.185 -6.661 1.00 0.00 C ATOM 377 C TRP A 29 -1.303 5.925 -7.065 1.00 0.00 C ATOM 378 O TRP A 29 -1.815 5.092 -7.813 1.00 0.00 O ATOM 379 CB TRP A 29 -3.186 7.461 -7.661 1.00 0.00 C ATOM 380 CG TRP A 29 -3.955 8.711 -7.359 1.00 0.00 C ATOM 381 CD1 TRP A 29 -4.230 9.733 -8.222 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.547 9.072 -6.106 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.956 10.707 -7.582 1.00 0.00 N ATOM 384 CE2 TRP A 29 -5.165 10.325 -6.283 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.617 8.458 -4.853 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.841 10.973 -5.252 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.288 9.102 -3.832 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.894 10.349 -4.036 1.00 0.00 C ATOM 0 H TRP A 29 -1.120 8.768 -5.659 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.495 7.024 -5.674 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.762 7.537 -8.662 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.872 6.614 -7.669 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.922 9.770 -9.256 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.286 11.574 -8.005 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.154 7.497 -4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.307 11.935 -5.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.347 8.636 -2.859 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.413 10.826 -3.218 1.00 0.00 H new ATOM 399 N THR A 30 -0.077 5.793 -6.567 1.00 0.00 N ATOM 400 CA THR A 30 0.753 4.636 -6.878 1.00 0.00 C ATOM 401 C THR A 30 0.781 3.651 -5.716 1.00 0.00 C ATOM 402 O THR A 30 1.254 3.974 -4.625 1.00 0.00 O ATOM 403 CB THR A 30 2.196 5.054 -7.216 1.00 0.00 C ATOM 404 OG1 THR A 30 2.220 5.777 -8.451 1.00 0.00 O ATOM 405 CG2 THR A 30 3.103 3.837 -7.318 1.00 0.00 C ATOM 0 H THR A 30 0.363 6.473 -5.947 1.00 0.00 H new ATOM 0 HA THR A 30 0.309 4.154 -7.749 1.00 0.00 H new ATOM 0 HB THR A 30 2.562 5.694 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.668 6.638 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.117 4.158 -7.558 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.106 3.305 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.737 3.175 -8.103 1.00 0.00 H new ATOM 413 N PHE A 31 0.271 2.447 -5.953 1.00 0.00 N ATOM 414 CA PHE A 31 0.238 1.413 -4.925 1.00 0.00 C ATOM 415 C PHE A 31 1.298 0.348 -5.189 1.00 0.00 C ATOM 416 O PHE A 31 1.689 0.114 -6.333 1.00 0.00 O ATOM 417 CB PHE A 31 -1.148 0.767 -4.867 1.00 0.00 C ATOM 418 CG PHE A 31 -1.291 -0.425 -5.771 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.316 -0.268 -7.147 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.402 -1.702 -5.243 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.448 -1.362 -7.982 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.533 -2.799 -6.072 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.557 -2.630 -7.443 1.00 0.00 C ATOM 0 H PHE A 31 -0.126 2.163 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 31 0.453 1.883 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.356 0.462 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.898 1.510 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.231 0.721 -7.573 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.386 -1.841 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.466 -1.226 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.617 -3.789 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.661 -3.487 -8.092 1.00 0.00 H new ATOM 433 N LEU A 32 1.760 -0.294 -4.121 1.00 0.00 N ATOM 434 CA LEU A 32 2.777 -1.335 -4.235 1.00 0.00 C ATOM 435 C LEU A 32 2.592 -2.397 -3.157 1.00 0.00 C ATOM 436 O LEU A 32 2.437 -2.079 -1.978 1.00 0.00 O ATOM 437 CB LEU A 32 4.175 -0.724 -4.132 1.00 0.00 C ATOM 438 CG LEU A 32 4.763 -0.631 -2.724 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.472 -1.925 -2.355 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.717 0.551 -2.620 1.00 0.00 C ATOM 0 H LEU A 32 1.447 -0.112 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 32 2.667 -1.811 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.854 -1.312 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.144 0.279 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 32 3.946 -0.475 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.884 -1.840 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.762 -2.751 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.279 -2.112 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.126 0.601 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.530 0.426 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.179 1.473 -2.840 1.00 0.00 H new ATOM 452 N VAL A 33 2.611 -3.661 -3.569 1.00 0.00 N ATOM 453 CA VAL A 33 2.449 -4.771 -2.638 1.00 0.00 C ATOM 454 C VAL A 33 3.801 -5.302 -2.176 1.00 0.00 C ATOM 455 O VAL A 33 4.723 -5.462 -2.975 1.00 0.00 O ATOM 456 CB VAL A 33 1.648 -5.923 -3.272 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.323 -6.985 -2.231 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.377 -5.394 -3.919 1.00 0.00 C ATOM 0 H VAL A 33 2.737 -3.941 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 33 1.900 -4.386 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 33 2.260 -6.384 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.757 -7.791 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.249 -7.385 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.730 -6.541 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.177 -6.221 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.240 -4.907 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.636 -4.674 -4.695 1.00 0.00 H new ATOM 468 N ARG A 34 3.912 -5.574 -0.879 1.00 0.00 N ATOM 469 CA ARG A 34 5.152 -6.087 -0.309 1.00 0.00 C ATOM 470 C ARG A 34 4.865 -7.066 0.826 1.00 0.00 C ATOM 471 O ARG A 34 3.709 -7.331 1.151 1.00 0.00 O ATOM 472 CB ARG A 34 6.017 -4.934 0.203 1.00 0.00 C ATOM 473 CG ARG A 34 5.262 -3.946 1.076 1.00 0.00 C ATOM 474 CD ARG A 34 6.144 -2.780 1.490 1.00 0.00 C ATOM 475 NE ARG A 34 5.427 -1.821 2.326 1.00 0.00 N ATOM 476 CZ ARG A 34 5.166 -2.019 3.613 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.561 -3.134 4.209 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.508 -1.098 4.307 1.00 0.00 N ATOM 0 H ARG A 34 3.158 -5.448 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 34 5.692 -6.617 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.853 -5.343 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.440 -4.403 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.393 -3.572 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.890 -4.455 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.011 -3.156 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.519 -2.275 0.600 1.00 0.00 H new ATOM 0 HE ARG A 34 5.109 -0.951 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.067 -3.844 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.359 -3.283 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.203 -0.238 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.308 -1.251 5.295 1.00 0.00 H new ATOM 492 N GLU A 35 5.927 -7.600 1.422 1.00 0.00 N ATOM 493 CA GLU A 35 5.787 -8.550 2.519 1.00 0.00 C ATOM 494 C GLU A 35 5.784 -7.830 3.865 1.00 0.00 C ATOM 495 O GLU A 35 6.330 -6.735 3.997 1.00 0.00 O ATOM 496 CB GLU A 35 6.921 -9.577 2.481 1.00 0.00 C ATOM 497 CG GLU A 35 6.607 -10.797 1.632 1.00 0.00 C ATOM 498 CD GLU A 35 5.883 -11.879 2.410 1.00 0.00 C ATOM 499 OE1 GLU A 35 4.967 -11.537 3.186 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.232 -13.066 2.242 1.00 0.00 O ATOM 0 H GLU A 35 6.892 -7.391 1.164 1.00 0.00 H new ATOM 0 HA GLU A 35 4.834 -9.066 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.821 -9.098 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.142 -9.900 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.996 -10.495 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.535 -11.203 1.229 1.00 0.00 H new ATOM 507 N SER A 36 5.166 -8.455 4.863 1.00 0.00 N ATOM 508 CA SER A 36 5.087 -7.873 6.198 1.00 0.00 C ATOM 509 C SER A 36 6.286 -8.291 7.044 1.00 0.00 C ATOM 510 O SER A 36 7.046 -9.185 6.667 1.00 0.00 O ATOM 511 CB SER A 36 3.789 -8.299 6.886 1.00 0.00 C ATOM 512 OG SER A 36 3.676 -9.711 6.933 1.00 0.00 O ATOM 0 H SER A 36 4.713 -9.364 4.772 1.00 0.00 H new ATOM 0 HA SER A 36 5.097 -6.788 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.761 -7.895 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.936 -7.880 6.352 1.00 0.00 H new ATOM 0 HG SER A 36 3.875 -10.085 6.049 1.00 0.00 H new ATOM 518 N LEU A 37 6.450 -7.638 8.188 1.00 0.00 N ATOM 519 CA LEU A 37 7.556 -7.941 9.090 1.00 0.00 C ATOM 520 C LEU A 37 7.059 -8.124 10.521 1.00 0.00 C ATOM 521 O LEU A 37 7.549 -8.982 11.253 1.00 0.00 O ATOM 522 CB LEU A 37 8.601 -6.824 9.040 1.00 0.00 C ATOM 523 CG LEU A 37 9.150 -6.480 7.655 1.00 0.00 C ATOM 524 CD1 LEU A 37 8.203 -5.542 6.923 1.00 0.00 C ATOM 525 CD2 LEU A 37 10.536 -5.861 7.769 1.00 0.00 C ATOM 0 H LEU A 37 5.832 -6.895 8.514 1.00 0.00 H new ATOM 0 HA LEU A 37 8.014 -8.874 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.162 -5.923 9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.437 -7.107 9.680 1.00 0.00 H new ATOM 0 HG LEU A 37 9.232 -7.402 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.610 -5.308 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.231 -6.022 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.087 -4.622 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.911 -5.623 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.479 -4.949 8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.211 -6.567 8.252 1.00 0.00 H new ATOM 537 N SER A 38 6.082 -7.312 10.910 1.00 0.00 N ATOM 538 CA SER A 38 5.518 -7.383 12.253 1.00 0.00 C ATOM 539 C SER A 38 4.480 -8.496 12.349 1.00 0.00 C ATOM 540 O SER A 38 4.480 -9.280 13.298 1.00 0.00 O ATOM 541 CB SER A 38 4.884 -6.044 12.635 1.00 0.00 C ATOM 542 OG SER A 38 5.828 -4.991 12.550 1.00 0.00 O ATOM 0 H SER A 38 5.664 -6.597 10.314 1.00 0.00 H new ATOM 0 HA SER A 38 6.328 -7.605 12.948 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.041 -5.836 11.976 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.489 -6.101 13.649 1.00 0.00 H new ATOM 0 HG SER A 38 5.398 -4.146 12.797 1.00 0.00 H new ATOM 548 N GLN A 39 3.596 -8.559 11.357 1.00 0.00 N ATOM 549 CA GLN A 39 2.552 -9.576 11.329 1.00 0.00 C ATOM 550 C GLN A 39 3.049 -10.850 10.655 1.00 0.00 C ATOM 551 O GLN A 39 3.744 -10.812 9.639 1.00 0.00 O ATOM 552 CB GLN A 39 1.315 -9.047 10.600 1.00 0.00 C ATOM 553 CG GLN A 39 0.417 -8.185 11.472 1.00 0.00 C ATOM 554 CD GLN A 39 0.096 -8.836 12.802 1.00 0.00 C ATOM 555 OE1 GLN A 39 0.890 -8.779 13.741 1.00 0.00 O ATOM 556 NE2 GLN A 39 -1.075 -9.458 12.890 1.00 0.00 N ATOM 0 H GLN A 39 3.583 -7.918 10.563 1.00 0.00 H new ATOM 0 HA GLN A 39 2.284 -9.814 12.359 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.634 -8.465 9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.738 -9.891 10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.902 -7.225 11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.511 -7.979 10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.702 -9.480 12.086 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.347 -9.913 13.762 1.00 0.00 H new ATOM 565 N PRO A 40 2.686 -12.006 11.230 1.00 0.00 N ATOM 566 CA PRO A 40 3.085 -13.313 10.701 1.00 0.00 C ATOM 567 C PRO A 40 2.393 -13.639 9.382 1.00 0.00 C ATOM 568 O PRO A 40 1.207 -13.367 9.208 1.00 0.00 O ATOM 569 CB PRO A 40 2.642 -14.288 11.794 1.00 0.00 C ATOM 570 CG PRO A 40 1.528 -13.591 12.495 1.00 0.00 C ATOM 571 CD PRO A 40 1.860 -12.125 12.442 1.00 0.00 C ATOM 0 HA PRO A 40 4.152 -13.356 10.480 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.311 -15.235 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.460 -14.514 12.478 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.574 -13.793 12.009 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.440 -13.934 13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.961 -11.512 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.402 -11.803 13.331 1.00 0.00 H new ATOM 579 N GLY A 41 3.143 -14.228 8.454 1.00 0.00 N ATOM 580 CA GLY A 41 2.584 -14.582 7.163 1.00 0.00 C ATOM 581 C GLY A 41 1.535 -13.594 6.695 1.00 0.00 C ATOM 582 O GLY A 41 0.396 -13.972 6.420 1.00 0.00 O ATOM 0 H GLY A 41 4.128 -14.466 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.385 -14.633 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.141 -15.576 7.223 1.00 0.00 H new ATOM 586 N ASP A 42 1.918 -12.325 6.606 1.00 0.00 N ATOM 587 CA ASP A 42 1.001 -11.279 6.168 1.00 0.00 C ATOM 588 C ASP A 42 1.669 -10.364 5.147 1.00 0.00 C ATOM 589 O ASP A 42 2.828 -10.564 4.783 1.00 0.00 O ATOM 590 CB ASP A 42 0.518 -10.460 7.366 1.00 0.00 C ATOM 591 CG ASP A 42 -0.750 -11.022 7.978 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.580 -11.572 7.224 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.911 -10.914 9.212 1.00 0.00 O ATOM 0 H ASP A 42 2.857 -11.996 6.831 1.00 0.00 H new ATOM 0 HA ASP A 42 0.143 -11.757 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.302 -10.432 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.341 -9.431 7.052 1.00 0.00 H new ATOM 598 N PHE A 43 0.929 -9.360 4.686 1.00 0.00 N ATOM 599 CA PHE A 43 1.449 -8.415 3.704 1.00 0.00 C ATOM 600 C PHE A 43 0.992 -6.995 4.021 1.00 0.00 C ATOM 601 O PHE A 43 0.022 -6.791 4.753 1.00 0.00 O ATOM 602 CB PHE A 43 0.994 -8.807 2.297 1.00 0.00 C ATOM 603 CG PHE A 43 1.280 -10.241 1.953 1.00 0.00 C ATOM 604 CD1 PHE A 43 2.528 -10.620 1.486 1.00 0.00 C ATOM 605 CD2 PHE A 43 0.300 -11.210 2.097 1.00 0.00 C ATOM 606 CE1 PHE A 43 2.792 -11.940 1.167 1.00 0.00 C ATOM 607 CE2 PHE A 43 0.559 -12.530 1.781 1.00 0.00 C ATOM 608 CZ PHE A 43 1.807 -12.896 1.316 1.00 0.00 C ATOM 0 H PHE A 43 -0.032 -9.180 4.977 1.00 0.00 H new ATOM 0 HA PHE A 43 2.538 -8.446 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.077 -8.627 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.488 -8.162 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.303 -9.877 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.678 -10.930 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.768 -12.223 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.214 -13.275 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.012 -13.927 1.070 1.00 0.00 H new ATOM 618 N VAL A 44 1.696 -6.014 3.466 1.00 0.00 N ATOM 619 CA VAL A 44 1.362 -4.612 3.688 1.00 0.00 C ATOM 620 C VAL A 44 1.126 -3.888 2.368 1.00 0.00 C ATOM 621 O VAL A 44 1.912 -4.014 1.429 1.00 0.00 O ATOM 622 CB VAL A 44 2.476 -3.887 4.467 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.058 -2.462 4.793 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.825 -4.653 5.733 1.00 0.00 C ATOM 0 H VAL A 44 2.502 -6.164 2.859 1.00 0.00 H new ATOM 0 HA VAL A 44 0.445 -4.594 4.278 1.00 0.00 H new ATOM 0 HB VAL A 44 3.366 -3.844 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.857 -1.965 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.863 -1.919 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.154 -2.478 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.614 -4.127 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.942 -4.729 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.170 -5.653 5.470 1.00 0.00 H new ATOM 634 N LEU A 45 0.039 -3.127 2.304 1.00 0.00 N ATOM 635 CA LEU A 45 -0.302 -2.380 1.098 1.00 0.00 C ATOM 636 C LEU A 45 0.093 -0.913 1.236 1.00 0.00 C ATOM 637 O LEU A 45 -0.390 -0.211 2.122 1.00 0.00 O ATOM 638 CB LEU A 45 -1.800 -2.491 0.812 1.00 0.00 C ATOM 639 CG LEU A 45 -2.209 -2.428 -0.660 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.766 -1.113 -1.282 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.626 -3.606 -1.427 1.00 0.00 C ATOM 0 H LEU A 45 -0.621 -3.011 3.073 1.00 0.00 H new ATOM 0 HA LEU A 45 0.254 -2.810 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.160 -3.432 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.312 -1.690 1.345 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.296 -2.485 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.066 -1.087 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.232 -0.284 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.682 -1.025 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.928 -3.544 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.538 -3.581 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.994 -4.538 -0.998 1.00 0.00 H new ATOM 653 N SER A 46 0.974 -0.458 0.351 1.00 0.00 N ATOM 654 CA SER A 46 1.436 0.925 0.375 1.00 0.00 C ATOM 655 C SER A 46 0.944 1.684 -0.854 1.00 0.00 C ATOM 656 O SER A 46 0.933 1.150 -1.963 1.00 0.00 O ATOM 657 CB SER A 46 2.964 0.974 0.440 1.00 0.00 C ATOM 658 OG SER A 46 3.410 2.138 1.114 1.00 0.00 O ATOM 0 H SER A 46 1.382 -1.026 -0.391 1.00 0.00 H new ATOM 0 HA SER A 46 1.026 1.403 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.338 0.088 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.375 0.955 -0.570 1.00 0.00 H new ATOM 0 HG SER A 46 3.218 2.056 2.071 1.00 0.00 H new ATOM 664 N VAL A 47 0.538 2.932 -0.647 1.00 0.00 N ATOM 665 CA VAL A 47 0.045 3.766 -1.737 1.00 0.00 C ATOM 666 C VAL A 47 0.479 5.217 -1.558 1.00 0.00 C ATOM 667 O VAL A 47 0.493 5.739 -0.444 1.00 0.00 O ATOM 668 CB VAL A 47 -1.490 3.709 -1.838 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.956 4.216 -3.194 1.00 0.00 C ATOM 670 CG2 VAL A 47 -1.988 2.293 -1.589 1.00 0.00 C ATOM 0 H VAL A 47 0.541 3.388 0.265 1.00 0.00 H new ATOM 0 HA VAL A 47 0.476 3.372 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.911 4.358 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.044 4.168 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.632 5.248 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.527 3.596 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.075 2.271 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.559 1.621 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.687 1.971 -0.592 1.00 0.00 H new ATOM 680 N LEU A 48 0.831 5.863 -2.664 1.00 0.00 N ATOM 681 CA LEU A 48 1.265 7.256 -2.631 1.00 0.00 C ATOM 682 C LEU A 48 0.118 8.193 -2.998 1.00 0.00 C ATOM 683 O LEU A 48 -0.466 8.082 -4.077 1.00 0.00 O ATOM 684 CB LEU A 48 2.438 7.469 -3.588 1.00 0.00 C ATOM 685 CG LEU A 48 3.192 8.791 -3.444 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.895 8.860 -2.096 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.193 8.962 -4.577 1.00 0.00 C ATOM 0 H LEU A 48 0.825 5.445 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 48 1.587 7.486 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.147 6.653 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.065 7.396 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 48 2.470 9.606 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.427 9.808 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.158 8.785 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.605 8.037 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.720 9.909 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.911 8.142 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.666 8.958 -5.531 1.00 0.00 H new ATOM 699 N SER A 49 -0.199 9.115 -2.095 1.00 0.00 N ATOM 700 CA SER A 49 -1.276 10.070 -2.323 1.00 0.00 C ATOM 701 C SER A 49 -0.817 11.198 -3.242 1.00 0.00 C ATOM 702 O SER A 49 0.360 11.290 -3.590 1.00 0.00 O ATOM 703 CB SER A 49 -1.765 10.647 -0.993 1.00 0.00 C ATOM 704 OG SER A 49 -0.856 11.613 -0.492 1.00 0.00 O ATOM 0 H SER A 49 0.275 9.221 -1.198 1.00 0.00 H new ATOM 0 HA SER A 49 -2.099 9.543 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.746 11.102 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.884 9.844 -0.266 1.00 0.00 H new ATOM 0 HG SER A 49 -0.098 11.160 -0.067 1.00 0.00 H new ATOM 710 N ASP A 50 -1.755 12.054 -3.632 1.00 0.00 N ATOM 711 CA ASP A 50 -1.449 13.178 -4.509 1.00 0.00 C ATOM 712 C ASP A 50 -1.360 14.478 -3.716 1.00 0.00 C ATOM 713 O ASP A 50 -1.704 15.547 -4.220 1.00 0.00 O ATOM 714 CB ASP A 50 -2.511 13.303 -5.602 1.00 0.00 C ATOM 715 CG ASP A 50 -2.289 14.513 -6.488 1.00 0.00 C ATOM 716 OD1 ASP A 50 -1.260 14.551 -7.194 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.146 15.423 -6.475 1.00 0.00 O ATOM 0 H ASP A 50 -2.734 11.991 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.481 12.991 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.506 12.402 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.497 13.369 -5.141 1.00 0.00 H new ATOM 722 N GLN A 51 -0.898 14.378 -2.474 1.00 0.00 N ATOM 723 CA GLN A 51 -0.767 15.547 -1.612 1.00 0.00 C ATOM 724 C GLN A 51 0.515 15.474 -0.789 1.00 0.00 C ATOM 725 O GLN A 51 0.757 14.516 -0.054 1.00 0.00 O ATOM 726 CB GLN A 51 -1.977 15.660 -0.684 1.00 0.00 C ATOM 727 CG GLN A 51 -3.300 15.787 -1.422 1.00 0.00 C ATOM 728 CD GLN A 51 -3.672 17.229 -1.709 1.00 0.00 C ATOM 729 OE1 GLN A 51 -3.724 18.062 -0.803 1.00 0.00 O ATOM 730 NE2 GLN A 51 -3.933 17.532 -2.975 1.00 0.00 N ATOM 0 H GLN A 51 -0.608 13.500 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.721 16.432 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.013 14.782 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.847 16.527 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.242 15.237 -2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.088 15.323 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.878 16.810 -3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.189 18.486 -3.229 1.00 0.00 H new ATOM 739 N PRO A 52 1.358 16.511 -0.913 1.00 0.00 N ATOM 740 CA PRO A 52 2.629 16.588 -0.188 1.00 0.00 C ATOM 741 C PRO A 52 2.432 16.802 1.309 1.00 0.00 C ATOM 742 O PRO A 52 1.420 17.358 1.739 1.00 0.00 O ATOM 743 CB PRO A 52 3.322 17.801 -0.815 1.00 0.00 C ATOM 744 CG PRO A 52 2.210 18.643 -1.338 1.00 0.00 C ATOM 745 CD PRO A 52 1.134 17.687 -1.770 1.00 0.00 C ATOM 0 HA PRO A 52 3.201 15.663 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.916 18.342 -0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.001 17.501 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.842 19.324 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.545 19.257 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.140 18.108 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.220 17.436 -2.827 1.00 0.00 H new ATOM 753 N LYS A 53 3.403 16.359 2.099 1.00 0.00 N ATOM 754 CA LYS A 53 3.337 16.502 3.548 1.00 0.00 C ATOM 755 C LYS A 53 3.697 17.923 3.971 1.00 0.00 C ATOM 756 O LYS A 53 3.383 18.349 5.082 1.00 0.00 O ATOM 757 CB LYS A 53 4.279 15.504 4.224 1.00 0.00 C ATOM 758 CG LYS A 53 4.198 14.103 3.643 1.00 0.00 C ATOM 759 CD LYS A 53 5.442 13.292 3.968 1.00 0.00 C ATOM 760 CE LYS A 53 5.572 13.046 5.463 1.00 0.00 C ATOM 761 NZ LYS A 53 6.901 12.476 5.818 1.00 0.00 N ATOM 0 H LYS A 53 4.247 15.897 1.760 1.00 0.00 H new ATOM 0 HA LYS A 53 2.314 16.296 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.303 15.866 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.047 15.461 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.318 13.595 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.074 14.163 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.403 12.337 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.325 13.818 3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.424 13.983 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.786 12.365 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.950 12.323 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.032 11.569 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.650 13.137 5.531 1.00 0.00 H new ATOM 775 N ALA A 54 4.358 18.652 3.077 1.00 0.00 N ATOM 776 CA ALA A 54 4.758 20.026 3.357 1.00 0.00 C ATOM 777 C ALA A 54 4.300 20.967 2.248 1.00 0.00 C ATOM 778 O ALA A 54 3.815 20.526 1.206 1.00 0.00 O ATOM 779 CB ALA A 54 6.266 20.111 3.534 1.00 0.00 C ATOM 0 H ALA A 54 4.628 18.314 2.153 1.00 0.00 H new ATOM 0 HA ALA A 54 4.277 20.337 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.550 21.142 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.571 19.475 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.759 19.776 2.621 1.00 0.00 H new ATOM 785 N GLY A 55 4.456 22.267 2.479 1.00 0.00 N ATOM 786 CA GLY A 55 4.053 23.251 1.490 1.00 0.00 C ATOM 787 C GLY A 55 4.932 23.224 0.255 1.00 0.00 C ATOM 788 O GLY A 55 4.463 23.001 -0.862 1.00 0.00 O ATOM 0 H GLY A 55 4.854 22.657 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.018 23.068 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.088 24.245 1.936 1.00 0.00 H new ATOM 792 N PRO A 56 6.238 23.458 0.448 1.00 0.00 N ATOM 793 CA PRO A 56 7.211 23.467 -0.649 1.00 0.00 C ATOM 794 C PRO A 56 7.445 22.076 -1.227 1.00 0.00 C ATOM 795 O PRO A 56 6.668 21.154 -0.986 1.00 0.00 O ATOM 796 CB PRO A 56 8.487 23.993 0.014 1.00 0.00 C ATOM 797 CG PRO A 56 8.337 23.643 1.455 1.00 0.00 C ATOM 798 CD PRO A 56 6.865 23.731 1.751 1.00 0.00 C ATOM 0 HA PRO A 56 6.872 24.071 -1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.376 23.531 -0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.590 25.069 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.716 22.641 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.903 24.329 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.562 23.002 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.590 24.715 2.131 1.00 0.00 H new ATOM 806 N GLY A 57 8.523 21.932 -1.992 1.00 0.00 N ATOM 807 CA GLY A 57 8.841 20.649 -2.592 1.00 0.00 C ATOM 808 C GLY A 57 8.990 19.547 -1.562 1.00 0.00 C ATOM 809 O GLY A 57 10.056 19.381 -0.971 1.00 0.00 O ATOM 0 H GLY A 57 9.182 22.681 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.057 20.378 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.766 20.737 -3.161 1.00 0.00 H new ATOM 813 N SER A 58 7.916 18.795 -1.344 1.00 0.00 N ATOM 814 CA SER A 58 7.931 17.706 -0.373 1.00 0.00 C ATOM 815 C SER A 58 7.282 16.452 -0.954 1.00 0.00 C ATOM 816 O SER A 58 6.483 16.512 -1.888 1.00 0.00 O ATOM 817 CB SER A 58 7.203 18.126 0.905 1.00 0.00 C ATOM 818 OG SER A 58 6.127 19.001 0.616 1.00 0.00 O ATOM 0 H SER A 58 7.025 18.919 -1.826 1.00 0.00 H new ATOM 0 HA SER A 58 8.970 17.478 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.828 17.242 1.421 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.903 18.617 1.581 1.00 0.00 H new ATOM 0 HG SER A 58 6.468 19.800 0.163 1.00 0.00 H new ATOM 824 N PRO A 59 7.634 15.289 -0.386 1.00 0.00 N ATOM 825 CA PRO A 59 7.098 13.998 -0.830 1.00 0.00 C ATOM 826 C PRO A 59 5.622 13.834 -0.483 1.00 0.00 C ATOM 827 O PRO A 59 5.142 14.379 0.512 1.00 0.00 O ATOM 828 CB PRO A 59 7.944 12.980 -0.061 1.00 0.00 C ATOM 829 CG PRO A 59 8.405 13.711 1.153 1.00 0.00 C ATOM 830 CD PRO A 59 8.580 15.144 0.732 1.00 0.00 C ATOM 0 HA PRO A 59 7.150 13.885 -1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.359 12.100 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.787 12.634 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.676 13.627 1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.342 13.297 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.350 15.833 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.604 15.349 0.421 1.00 0.00 H new ATOM 838 N LEU A 60 4.906 13.080 -1.310 1.00 0.00 N ATOM 839 CA LEU A 60 3.483 12.843 -1.091 1.00 0.00 C ATOM 840 C LEU A 60 3.265 11.854 0.048 1.00 0.00 C ATOM 841 O LEU A 60 3.941 10.829 0.132 1.00 0.00 O ATOM 842 CB LEU A 60 2.831 12.315 -2.371 1.00 0.00 C ATOM 843 CG LEU A 60 2.921 13.228 -3.594 1.00 0.00 C ATOM 844 CD1 LEU A 60 2.644 12.442 -4.867 1.00 0.00 C ATOM 845 CD2 LEU A 60 1.951 14.393 -3.463 1.00 0.00 C ATOM 0 H LEU A 60 5.287 12.622 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 60 3.020 13.791 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.290 11.359 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.779 12.119 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 60 3.933 13.629 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.712 13.107 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.378 11.642 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.643 12.012 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.029 15.032 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.933 14.012 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.195 14.971 -2.572 1.00 0.00 H new ATOM 857 N ARG A 61 2.315 12.167 0.924 1.00 0.00 N ATOM 858 CA ARG A 61 2.007 11.306 2.059 1.00 0.00 C ATOM 859 C ARG A 61 1.697 9.885 1.595 1.00 0.00 C ATOM 860 O ARG A 61 1.041 9.684 0.572 1.00 0.00 O ATOM 861 CB ARG A 61 0.822 11.868 2.846 1.00 0.00 C ATOM 862 CG ARG A 61 0.553 11.133 4.150 1.00 0.00 C ATOM 863 CD ARG A 61 1.472 11.619 5.261 1.00 0.00 C ATOM 864 NE ARG A 61 1.656 10.609 6.299 1.00 0.00 N ATOM 865 CZ ARG A 61 0.750 10.341 7.232 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.398 11.005 7.257 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.990 9.407 8.144 1.00 0.00 N ATOM 0 H ARG A 61 1.745 13.011 0.869 1.00 0.00 H new ATOM 0 HA ARG A 61 2.882 11.275 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.007 12.920 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.071 11.824 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.486 11.280 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.694 10.062 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.441 11.886 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.057 12.524 5.705 1.00 0.00 H new ATOM 0 HE ARG A 61 2.528 10.080 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.587 11.724 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.092 10.797 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.871 8.894 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.293 9.202 8.860 1.00 0.00 H new ATOM 881 N VAL A 62 2.174 8.903 2.354 1.00 0.00 N ATOM 882 CA VAL A 62 1.948 7.502 2.020 1.00 0.00 C ATOM 883 C VAL A 62 0.942 6.866 2.974 1.00 0.00 C ATOM 884 O VAL A 62 0.697 7.377 4.067 1.00 0.00 O ATOM 885 CB VAL A 62 3.259 6.696 2.064 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.986 5.218 1.825 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.249 7.236 1.041 1.00 0.00 C ATOM 0 H VAL A 62 2.719 9.052 3.203 1.00 0.00 H new ATOM 0 HA VAL A 62 1.549 7.478 1.006 1.00 0.00 H new ATOM 0 HB VAL A 62 3.699 6.803 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.924 4.664 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.314 4.843 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.523 5.087 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.171 6.655 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.819 7.159 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.467 8.281 1.262 1.00 0.00 H new ATOM 897 N THR A 63 0.361 5.748 2.552 1.00 0.00 N ATOM 898 CA THR A 63 -0.620 5.041 3.368 1.00 0.00 C ATOM 899 C THR A 63 -0.316 3.548 3.421 1.00 0.00 C ATOM 900 O THR A 63 -0.199 2.891 2.387 1.00 0.00 O ATOM 901 CB THR A 63 -2.048 5.245 2.831 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.232 6.608 2.433 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.081 4.876 3.886 1.00 0.00 C ATOM 0 H THR A 63 0.552 5.312 1.650 1.00 0.00 H new ATOM 0 HA THR A 63 -0.556 5.458 4.373 1.00 0.00 H new ATOM 0 HB THR A 63 -2.184 4.593 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.142 6.729 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.082 5.028 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.958 3.830 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.944 5.505 4.765 1.00 0.00 H new ATOM 911 N HIS A 64 -0.193 3.017 4.633 1.00 0.00 N ATOM 912 CA HIS A 64 0.095 1.600 4.821 1.00 0.00 C ATOM 913 C HIS A 64 -1.121 0.869 5.385 1.00 0.00 C ATOM 914 O HIS A 64 -1.537 1.117 6.516 1.00 0.00 O ATOM 915 CB HIS A 64 1.291 1.419 5.756 1.00 0.00 C ATOM 916 CG HIS A 64 2.444 2.318 5.432 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.205 2.185 4.290 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.965 3.369 6.109 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.144 3.114 4.279 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.020 3.846 5.370 1.00 0.00 N ATOM 0 H HIS A 64 -0.288 3.547 5.500 1.00 0.00 H new ATOM 0 HA HIS A 64 0.337 1.172 3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.972 1.606 6.781 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.625 0.382 5.710 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.616 3.759 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.887 3.251 3.508 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.611 4.637 5.623 1.00 0.00 H new ATOM 929 N ILE A 65 -1.685 -0.032 4.587 1.00 0.00 N ATOM 930 CA ILE A 65 -2.851 -0.799 5.007 1.00 0.00 C ATOM 931 C ILE A 65 -2.482 -2.251 5.292 1.00 0.00 C ATOM 932 O ILE A 65 -1.844 -2.913 4.472 1.00 0.00 O ATOM 933 CB ILE A 65 -3.962 -0.763 3.940 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.447 0.672 3.725 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.119 -1.663 4.350 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.046 0.909 2.357 1.00 0.00 C ATOM 0 H ILE A 65 -1.353 -0.248 3.647 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.221 -0.335 5.922 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.554 -1.133 2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.190 0.913 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.610 1.355 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.896 -1.627 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.763 -2.688 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.528 -1.320 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.368 1.947 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.299 0.700 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.904 0.251 2.216 1.00 0.00 H new ATOM 948 N LYS A 66 -2.889 -2.741 6.457 1.00 0.00 N ATOM 949 CA LYS A 66 -2.604 -4.116 6.850 1.00 0.00 C ATOM 950 C LYS A 66 -3.416 -5.100 6.015 1.00 0.00 C ATOM 951 O LYS A 66 -4.647 -5.070 6.023 1.00 0.00 O ATOM 952 CB LYS A 66 -2.911 -4.318 8.336 1.00 0.00 C ATOM 953 CG LYS A 66 -1.719 -4.062 9.243 1.00 0.00 C ATOM 954 CD LYS A 66 -0.868 -5.308 9.410 1.00 0.00 C ATOM 955 CE LYS A 66 0.487 -4.981 10.017 1.00 0.00 C ATOM 956 NZ LYS A 66 1.543 -5.926 9.559 1.00 0.00 N ATOM 0 H LYS A 66 -3.418 -2.206 7.146 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.545 -4.305 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.726 -3.653 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.262 -5.338 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.111 -3.258 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.069 -3.726 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.390 -6.023 10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.728 -5.786 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.769 -3.963 9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.416 -5.015 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.052 -6.304 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.104 -6.709 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.211 -5.426 8.939 1.00 0.00 H new ATOM 970 N VAL A 67 -2.720 -5.974 5.295 1.00 0.00 N ATOM 971 CA VAL A 67 -3.377 -6.969 4.456 1.00 0.00 C ATOM 972 C VAL A 67 -3.288 -8.358 5.078 1.00 0.00 C ATOM 973 O VAL A 67 -2.196 -8.871 5.322 1.00 0.00 O ATOM 974 CB VAL A 67 -2.760 -7.010 3.045 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.483 -8.026 2.175 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.796 -5.628 2.408 1.00 0.00 C ATOM 0 H VAL A 67 -1.701 -6.013 5.276 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.424 -6.675 4.378 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.718 -7.318 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.033 -8.041 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.400 -9.015 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.535 -7.752 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.356 -5.675 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.829 -5.289 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.228 -4.929 3.023 1.00 0.00 H new ATOM 986 N MET A 68 -4.444 -8.963 5.331 1.00 0.00 N ATOM 987 CA MET A 68 -4.495 -10.294 5.923 1.00 0.00 C ATOM 988 C MET A 68 -4.703 -11.359 4.851 1.00 0.00 C ATOM 989 O MET A 68 -5.630 -11.270 4.045 1.00 0.00 O ATOM 990 CB MET A 68 -5.619 -10.372 6.959 1.00 0.00 C ATOM 991 CG MET A 68 -5.296 -9.657 8.261 1.00 0.00 C ATOM 992 SD MET A 68 -5.599 -7.882 8.173 1.00 0.00 S ATOM 993 CE MET A 68 -7.382 -7.851 8.015 1.00 0.00 C ATOM 0 H MET A 68 -5.357 -8.553 5.135 1.00 0.00 H new ATOM 0 HA MET A 68 -3.541 -10.481 6.416 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.525 -9.942 6.533 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.833 -11.419 7.173 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.896 -10.085 9.064 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.251 -9.831 8.517 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.652 -7.561 7.000 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.783 -8.842 8.229 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.797 -7.131 8.720 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.834 -12.364 4.845 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.921 -13.445 3.870 1.00 0.00 C ATOM 1005 C CYS A 69 -4.229 -14.772 4.556 1.00 0.00 C ATOM 1006 O CYS A 69 -3.470 -15.231 5.409 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.616 -13.555 3.081 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.581 -14.921 1.898 1.00 0.00 S ATOM 0 H CYS A 69 -3.061 -12.453 5.505 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.734 -13.216 3.181 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.448 -12.621 2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.789 -13.674 3.782 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.743 -15.029 1.325 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.348 -15.383 4.179 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.756 -16.656 4.760 1.00 0.00 C ATOM 1016 C GLU A 70 -5.681 -17.776 3.726 1.00 0.00 C ATOM 1017 O GLU A 70 -6.562 -17.913 2.878 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.178 -16.555 5.317 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.353 -15.447 6.341 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.741 -15.435 6.955 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.703 -15.089 6.239 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -8.863 -15.771 8.152 1.00 0.00 O ATOM 0 H GLU A 70 -5.988 -15.017 3.474 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.070 -16.891 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.871 -16.389 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.449 -17.507 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.611 -15.566 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.161 -14.485 5.866 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.620 -18.573 3.802 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.449 -19.670 2.867 1.00 0.00 C ATOM 1031 C GLY A 71 -4.197 -19.190 1.451 1.00 0.00 C ATOM 1032 O GLY A 71 -3.050 -19.030 1.037 1.00 0.00 O ATOM 0 H GLY A 71 -3.876 -18.479 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.615 -20.292 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.340 -20.298 2.882 1.00 0.00 H new ATOM 1036 N GLY A 72 -5.274 -18.962 0.705 1.00 0.00 N ATOM 1037 CA GLY A 72 -5.143 -18.503 -0.666 1.00 0.00 C ATOM 1038 C GLY A 72 -6.031 -17.311 -0.964 1.00 0.00 C ATOM 1039 O GLY A 72 -6.499 -17.145 -2.091 1.00 0.00 O ATOM 0 H GLY A 72 -6.234 -19.087 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.104 -18.236 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.394 -19.318 -1.345 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.264 -16.481 0.047 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.104 -15.299 -0.113 1.00 0.00 C ATOM 1045 C ARG A 73 -6.477 -14.089 0.571 1.00 0.00 C ATOM 1046 O ARG A 73 -5.461 -14.208 1.257 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.498 -15.558 0.463 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.242 -16.689 -0.228 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.275 -17.320 0.693 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.802 -18.569 0.149 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.781 -18.625 -0.747 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -12.336 -17.509 -1.200 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.206 -19.799 -1.195 1.00 0.00 N ATOM 0 H ARG A 73 -5.884 -16.604 0.985 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.191 -15.087 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.406 -15.790 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.089 -14.645 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.735 -16.309 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.531 -17.448 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.824 -17.510 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.095 -16.619 0.852 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.396 -19.446 0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.011 -16.604 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.088 -17.556 -1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.781 -20.660 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.958 -19.841 -1.883 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.087 -12.925 0.379 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.586 -11.692 0.974 1.00 0.00 C ATOM 1069 C TYR A 74 -7.736 -10.814 1.457 1.00 0.00 C ATOM 1070 O TYR A 74 -8.802 -10.773 0.844 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.732 -10.924 -0.036 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.546 -11.709 -0.547 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -4.657 -12.517 -1.673 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.315 -11.644 0.094 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -3.576 -13.237 -2.144 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -2.229 -12.359 -0.372 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.364 -13.154 -1.491 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.285 -13.870 -1.956 1.00 0.00 O ATOM 0 H TYR A 74 -7.929 -12.809 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.970 -11.957 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.356 -10.634 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.376 -10.004 0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.604 -12.583 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.205 -11.024 0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.679 -13.862 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.279 -12.296 0.137 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.508 -13.699 -1.384 1.00 0.00 H new ATOM 1088 N THR A 75 -7.511 -10.111 2.564 1.00 0.00 N ATOM 1089 CA THR A 75 -8.527 -9.233 3.131 1.00 0.00 C ATOM 1090 C THR A 75 -7.892 -8.031 3.820 1.00 0.00 C ATOM 1091 O THR A 75 -6.682 -7.998 4.045 1.00 0.00 O ATOM 1092 CB THR A 75 -9.412 -9.983 4.145 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.554 -9.186 4.480 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.631 -10.312 5.407 1.00 0.00 C ATOM 0 H THR A 75 -6.634 -10.133 3.085 1.00 0.00 H new ATOM 0 HA THR A 75 -9.146 -8.888 2.303 1.00 0.00 H new ATOM 0 HB THR A 75 -9.740 -10.916 3.687 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.736 -9.263 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.277 -10.841 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.778 -10.942 5.153 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.277 -9.389 5.867 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.717 -7.043 4.155 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.235 -5.838 4.819 1.00 0.00 C ATOM 1104 C VAL A 76 -9.318 -5.227 5.701 1.00 0.00 C ATOM 1105 O VAL A 76 -10.331 -4.734 5.207 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.763 -4.785 3.800 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.385 -5.139 3.263 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.769 -4.654 2.666 1.00 0.00 C ATOM 0 H VAL A 76 -9.721 -7.054 3.977 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.389 -6.135 5.439 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.692 -3.822 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.069 -4.383 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.672 -5.177 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.425 -6.112 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.420 -3.906 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.874 -5.614 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.734 -4.349 3.070 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.098 -5.265 7.012 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.064 -4.711 7.943 1.00 0.00 C ATOM 1120 C GLY A 77 -11.281 -5.599 8.112 1.00 0.00 C ATOM 1121 O GLY A 77 -11.666 -5.928 9.233 1.00 0.00 O ATOM 0 H GLY A 77 -8.268 -5.670 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.587 -4.565 8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.381 -3.729 7.592 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.889 -5.986 6.995 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.064 -6.836 7.046 1.00 0.00 C ATOM 1127 C GLY A 78 -12.752 -8.277 6.695 1.00 0.00 C ATOM 1128 O GLY A 78 -11.588 -8.675 6.646 1.00 0.00 O ATOM 0 H GLY A 78 -11.589 -5.726 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.496 -6.794 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.817 -6.452 6.357 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.796 -9.064 6.453 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.628 -10.471 6.106 1.00 0.00 C ATOM 1134 C LEU A 79 -13.448 -10.643 4.601 1.00 0.00 C ATOM 1135 O LEU A 79 -12.925 -11.658 4.142 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.835 -11.281 6.583 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.196 -10.832 6.052 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.522 -11.540 4.747 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.284 -11.090 7.086 1.00 0.00 C ATOM 0 H LEU A 79 -14.766 -8.752 6.491 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.731 -10.839 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.683 -12.323 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.863 -11.247 7.672 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.152 -9.760 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.495 -11.207 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.759 -11.305 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.546 -12.617 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.246 -10.764 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.326 -12.156 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.059 -10.535 7.997 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.883 -9.644 3.840 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.768 -9.686 2.387 1.00 0.00 C ATOM 1153 C GLU A 80 -12.484 -10.392 1.963 1.00 0.00 C ATOM 1154 O GLU A 80 -11.421 -9.775 1.877 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.799 -8.269 1.810 1.00 0.00 C ATOM 1156 CG GLU A 80 -12.854 -7.306 2.510 1.00 0.00 C ATOM 1157 CD GLU A 80 -13.189 -5.854 2.229 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -13.750 -5.573 1.149 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -12.888 -4.998 3.087 1.00 0.00 O ATOM 0 H GLU A 80 -14.318 -8.797 4.205 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.616 -10.248 1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.543 -8.311 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.815 -7.881 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.892 -7.482 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.832 -7.508 2.190 1.00 0.00 H new ATOM 1166 N THR A 81 -12.588 -11.691 1.699 1.00 0.00 N ATOM 1167 CA THR A 81 -11.437 -12.482 1.285 1.00 0.00 C ATOM 1168 C THR A 81 -11.457 -12.740 -0.217 1.00 0.00 C ATOM 1169 O THR A 81 -12.160 -13.630 -0.695 1.00 0.00 O ATOM 1170 CB THR A 81 -11.388 -13.832 2.026 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.700 -14.399 2.097 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.828 -13.659 3.430 1.00 0.00 C ATOM 0 H THR A 81 -13.459 -12.217 1.765 1.00 0.00 H new ATOM 0 HA THR A 81 -10.549 -11.903 1.539 1.00 0.00 H new ATOM 0 HB THR A 81 -10.732 -14.503 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.107 -14.396 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.803 -14.625 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.818 -13.254 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.462 -12.973 3.992 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.682 -11.955 -0.958 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.610 -12.099 -2.407 1.00 0.00 C ATOM 1182 C PHE A 82 -9.824 -13.349 -2.792 1.00 0.00 C ATOM 1183 O PHE A 82 -9.005 -13.843 -2.017 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.963 -10.862 -3.032 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.606 -9.572 -2.613 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.292 -8.989 -1.397 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.526 -8.941 -3.436 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.881 -7.801 -1.008 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.119 -7.753 -3.053 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.797 -7.183 -1.837 1.00 0.00 C ATOM 0 H PHE A 82 -10.095 -11.212 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.626 -12.200 -2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.908 -10.838 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.011 -10.946 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.578 -9.469 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.782 -9.383 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.626 -7.356 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.833 -7.271 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.261 -6.256 -1.535 1.00 0.00 H new ATOM 1200 N ASP A 83 -10.080 -13.855 -3.994 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.398 -15.047 -4.483 1.00 0.00 C ATOM 1202 C ASP A 83 -7.886 -14.844 -4.483 1.00 0.00 C ATOM 1203 O ASP A 83 -7.122 -15.796 -4.318 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.878 -15.394 -5.892 1.00 0.00 C ATOM 1205 CG ASP A 83 -11.121 -16.262 -5.883 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -11.341 -16.971 -4.880 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.874 -16.232 -6.880 1.00 0.00 O ATOM 0 H ASP A 83 -10.755 -13.458 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.637 -15.873 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.085 -14.474 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.081 -15.911 -6.427 1.00 0.00 H new ATOM 1212 N SER A 84 -7.460 -13.599 -4.671 1.00 0.00 N ATOM 1213 CA SER A 84 -6.039 -13.273 -4.698 1.00 0.00 C ATOM 1214 C SER A 84 -5.828 -11.762 -4.653 1.00 0.00 C ATOM 1215 O SER A 84 -6.781 -10.988 -4.734 1.00 0.00 O ATOM 1216 CB SER A 84 -5.385 -13.854 -5.953 1.00 0.00 C ATOM 1217 OG SER A 84 -4.901 -15.164 -5.716 1.00 0.00 O ATOM 0 H SER A 84 -8.079 -12.800 -4.807 1.00 0.00 H new ATOM 0 HA SER A 84 -5.573 -13.714 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.108 -13.872 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.564 -13.211 -6.270 1.00 0.00 H new ATOM 0 HG SER A 84 -5.548 -15.658 -5.171 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.572 -11.351 -4.522 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.232 -9.933 -4.465 1.00 0.00 C ATOM 1225 C LEU A 85 -4.620 -9.229 -5.761 1.00 0.00 C ATOM 1226 O LEU A 85 -5.023 -8.066 -5.752 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.735 -9.757 -4.203 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.317 -9.670 -2.735 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.890 -10.165 -2.557 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.456 -8.244 -2.224 1.00 0.00 C ATOM 0 H LEU A 85 -3.771 -11.979 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.792 -9.482 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.205 -10.592 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.402 -8.851 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.978 -10.310 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.609 -10.096 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.821 -11.203 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.215 -9.552 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.154 -8.201 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.820 -7.583 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.494 -7.924 -2.315 1.00 0.00 H new ATOM 1242 N THR A 86 -4.497 -9.943 -6.876 1.00 0.00 N ATOM 1243 CA THR A 86 -4.835 -9.386 -8.180 1.00 0.00 C ATOM 1244 C THR A 86 -6.295 -8.953 -8.232 1.00 0.00 C ATOM 1245 O THR A 86 -6.651 -8.021 -8.953 1.00 0.00 O ATOM 1246 CB THR A 86 -4.573 -10.402 -9.309 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.166 -10.640 -9.436 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.128 -9.896 -10.632 1.00 0.00 C ATOM 0 H THR A 86 -4.166 -10.907 -6.902 1.00 0.00 H new ATOM 0 HA THR A 86 -4.196 -8.516 -8.327 1.00 0.00 H new ATOM 0 HB THR A 86 -5.078 -11.334 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.007 -11.288 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.931 -10.630 -11.414 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.203 -9.743 -10.541 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.648 -8.952 -10.891 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.137 -9.634 -7.462 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.560 -9.318 -7.418 1.00 0.00 C ATOM 1258 C ASP A 87 -8.854 -8.286 -6.334 1.00 0.00 C ATOM 1259 O ASP A 87 -9.562 -7.306 -6.571 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.378 -10.585 -7.168 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.514 -11.442 -8.411 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -8.493 -12.002 -8.860 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.642 -11.551 -8.936 1.00 0.00 O ATOM 0 H ASP A 87 -6.858 -10.409 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.843 -8.896 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.906 -11.169 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.370 -10.309 -6.811 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.307 -8.511 -5.144 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.511 -7.601 -4.023 1.00 0.00 C ATOM 1270 C LEU A 88 -8.070 -6.187 -4.382 1.00 0.00 C ATOM 1271 O LEU A 88 -8.680 -5.207 -3.955 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.741 -8.092 -2.796 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.689 -7.130 -1.608 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.642 -7.902 -0.298 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.488 -6.203 -1.725 1.00 0.00 C ATOM 0 H LEU A 88 -7.719 -9.316 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.576 -7.581 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.189 -9.028 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.719 -8.319 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.594 -6.523 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.605 -7.201 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.533 -8.524 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.754 -8.534 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.467 -5.525 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.572 -6.794 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.563 -5.624 -2.646 1.00 0.00 H new ATOM 1287 N VAL A 89 -7.007 -6.087 -5.174 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.485 -4.792 -5.595 1.00 0.00 C ATOM 1289 C VAL A 89 -7.271 -4.242 -6.780 1.00 0.00 C ATOM 1290 O VAL A 89 -7.681 -3.082 -6.780 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.995 -4.884 -5.978 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.461 -3.517 -6.376 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.186 -5.468 -4.830 1.00 0.00 C ATOM 0 H VAL A 89 -6.490 -6.888 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.592 -4.116 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.898 -5.549 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.408 -3.602 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.023 -3.142 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.569 -2.827 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.136 -5.526 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.287 -4.830 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.554 -6.467 -4.597 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.474 -5.082 -7.789 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.211 -4.679 -8.982 1.00 0.00 C ATOM 1305 C GLU A 90 -9.531 -4.011 -8.606 1.00 0.00 C ATOM 1306 O GLU A 90 -9.944 -3.034 -9.230 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.477 -5.891 -9.878 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.301 -6.260 -10.766 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.276 -5.469 -12.060 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.636 -4.273 -12.032 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.897 -6.046 -13.101 1.00 0.00 O ATOM 0 H GLU A 90 -7.139 -6.045 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.602 -3.959 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.731 -6.746 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.345 -5.686 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.372 -6.089 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.344 -7.325 -10.996 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.187 -4.547 -7.582 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.461 -4.004 -7.122 1.00 0.00 C ATOM 1320 C HIS A 91 -11.281 -2.592 -6.569 1.00 0.00 C ATOM 1321 O HIS A 91 -12.111 -1.713 -6.804 1.00 0.00 O ATOM 1322 CB HIS A 91 -12.069 -4.909 -6.052 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.556 -4.772 -5.925 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.375 -5.804 -5.515 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.370 -3.716 -6.155 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.629 -5.388 -5.501 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.653 -4.124 -5.885 1.00 0.00 N ATOM 0 H HIS A 91 -9.858 -5.356 -7.055 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.138 -3.958 -7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.827 -5.946 -6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.608 -4.682 -5.091 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.067 -2.735 -6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.488 -5.980 -5.223 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.489 -3.545 -5.967 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.194 -2.384 -5.836 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.906 -1.080 -5.249 1.00 0.00 C ATOM 1338 C PHE A 92 -9.401 -0.106 -6.308 1.00 0.00 C ATOM 1339 O PHE A 92 -9.543 1.109 -6.169 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.872 -1.218 -4.130 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.418 -1.851 -2.882 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.624 -1.429 -2.347 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.724 -2.866 -2.243 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.130 -2.010 -1.199 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.225 -3.450 -1.096 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.429 -3.022 -0.573 1.00 0.00 C ATOM 0 H PHE A 92 -9.497 -3.101 -5.634 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.832 -0.685 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.034 -1.813 -4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.480 -0.231 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.175 -0.637 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.781 -3.204 -2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.072 -1.673 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.675 -4.241 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.822 -3.478 0.324 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.807 -0.648 -7.367 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.280 0.171 -8.451 1.00 0.00 C ATOM 1358 C LYS A 93 -9.394 0.966 -9.124 1.00 0.00 C ATOM 1359 O LYS A 93 -9.159 2.047 -9.664 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.571 -0.708 -9.483 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.214 -1.215 -9.022 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.576 -2.122 -10.061 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.887 -1.321 -11.154 1.00 0.00 C ATOM 1364 NZ LYS A 93 -5.829 -0.944 -12.243 1.00 0.00 N ATOM 0 H LYS A 93 -8.679 -1.652 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.563 0.873 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.207 -1.561 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.443 -0.140 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.556 -0.369 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.327 -1.758 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.852 -2.777 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.339 -2.762 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.450 -0.420 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.066 -1.905 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.353 -1.040 -13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.659 -1.570 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.134 0.042 -12.113 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.606 0.424 -9.087 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.758 1.083 -9.691 1.00 0.00 C ATOM 1380 C LYS A 94 -12.640 1.723 -8.624 1.00 0.00 C ATOM 1381 O LYS A 94 -13.182 2.811 -8.821 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.575 0.081 -10.510 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.803 -1.242 -9.798 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.749 -2.138 -10.579 1.00 0.00 C ATOM 1385 CE LYS A 94 -13.990 -3.456 -9.858 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.925 -4.453 -10.154 1.00 0.00 N ATOM 0 H LYS A 94 -10.816 -0.471 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.390 1.868 -10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.540 0.525 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.064 -0.107 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.849 -1.751 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.212 -1.056 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.699 -1.624 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.334 -2.333 -11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.033 -3.279 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.958 -3.860 -10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.008 -5.255 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.030 -4.793 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.992 -4.008 -10.041 1.00 0.00 H new ATOM 1400 N THR A 95 -12.780 1.040 -7.491 1.00 0.00 N ATOM 1401 CA THR A 95 -13.596 1.542 -6.393 1.00 0.00 C ATOM 1402 C THR A 95 -12.775 2.415 -5.452 1.00 0.00 C ATOM 1403 O THR A 95 -13.199 3.507 -5.075 1.00 0.00 O ATOM 1404 CB THR A 95 -14.224 0.388 -5.588 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.195 -0.430 -5.021 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.126 -0.461 -6.471 1.00 0.00 C ATOM 0 H THR A 95 -12.339 0.138 -7.311 1.00 0.00 H new ATOM 0 HA THR A 95 -14.391 2.141 -6.838 1.00 0.00 H new ATOM 0 HB THR A 95 -14.827 0.818 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.123 -1.265 -5.529 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.558 -1.269 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.926 0.159 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.542 -0.882 -7.290 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.597 1.927 -5.076 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.735 2.678 -4.182 1.00 0.00 C ATOM 1416 C GLY A 96 -10.929 2.291 -2.729 1.00 0.00 C ATOM 1417 O GLY A 96 -12.017 1.873 -2.331 1.00 0.00 O ATOM 0 H GLY A 96 -11.224 1.026 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.695 2.514 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.933 3.743 -4.301 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.872 2.428 -1.935 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.931 2.090 -0.518 1.00 0.00 C ATOM 1423 C ILE A 97 -10.359 3.292 0.317 1.00 0.00 C ATOM 1424 O ILE A 97 -9.958 4.423 0.045 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.572 1.580 -0.004 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.163 0.311 -0.754 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.637 1.320 1.493 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.710 -0.064 -0.559 1.00 0.00 C ATOM 0 H ILE A 97 -8.964 2.771 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.671 1.296 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.819 2.346 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.791 -0.516 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.354 0.450 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.669 0.960 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.889 2.245 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.399 0.569 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.490 -0.973 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.074 0.746 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.517 -0.235 0.500 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.177 3.037 1.334 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.658 4.100 2.210 1.00 0.00 C ATOM 1442 C GLU A 98 -11.182 3.882 3.643 1.00 0.00 C ATOM 1443 O GLU A 98 -11.551 2.900 4.287 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.187 4.167 2.173 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.760 5.375 2.895 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.273 5.340 2.979 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.913 4.883 2.008 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.819 5.769 4.017 1.00 0.00 O ATOM 0 H GLU A 98 -11.520 2.106 1.571 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.250 5.045 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.517 4.185 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.593 3.260 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.345 5.423 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.449 6.283 2.379 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.360 4.803 4.134 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.831 4.711 5.490 1.00 0.00 C ATOM 1457 C GLU A 99 -10.903 5.067 6.516 1.00 0.00 C ATOM 1458 O GLU A 99 -11.718 5.962 6.294 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.624 5.636 5.655 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.329 5.049 5.118 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.308 6.113 4.767 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.781 6.759 5.697 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.035 6.300 3.563 1.00 0.00 O ATOM 0 H GLU A 99 -10.046 5.622 3.613 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.516 3.682 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.826 6.577 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.497 5.868 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.904 4.374 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.545 4.452 4.232 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.895 4.358 7.641 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.864 4.599 8.702 1.00 0.00 C ATOM 1472 C ALA A 100 -11.704 6.000 9.284 1.00 0.00 C ATOM 1473 O ALA A 100 -12.531 6.451 10.077 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.721 3.551 9.796 1.00 0.00 C ATOM 0 H ALA A 100 -10.228 3.612 7.840 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.863 4.525 8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.451 3.744 10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.893 2.560 9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.716 3.597 10.215 1.00 0.00 H new ATOM 1480 N SER A 101 -10.634 6.682 8.887 1.00 0.00 N ATOM 1481 CA SER A 101 -10.364 8.030 9.373 1.00 0.00 C ATOM 1482 C SER A 101 -11.080 9.070 8.517 1.00 0.00 C ATOM 1483 O SER A 101 -11.316 10.195 8.956 1.00 0.00 O ATOM 1484 CB SER A 101 -8.858 8.301 9.373 1.00 0.00 C ATOM 1485 OG SER A 101 -8.241 7.755 10.525 1.00 0.00 O ATOM 0 H SER A 101 -9.941 6.323 8.231 1.00 0.00 H new ATOM 0 HA SER A 101 -10.740 8.105 10.393 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.408 7.871 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.679 9.376 9.336 1.00 0.00 H new ATOM 0 HG SER A 101 -7.279 7.940 10.500 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.423 8.684 7.292 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.110 9.595 6.393 1.00 0.00 C ATOM 1493 C GLY A 102 -11.287 9.923 5.163 1.00 0.00 C ATOM 1494 O GLY A 102 -11.477 10.969 4.542 1.00 0.00 O ATOM 0 H GLY A 102 -11.238 7.758 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.057 9.152 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.347 10.517 6.925 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.370 9.029 4.810 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.516 9.230 3.646 1.00 0.00 C ATOM 1500 C ALA A 103 -9.820 8.204 2.558 1.00 0.00 C ATOM 1501 O ALA A 103 -10.495 7.205 2.806 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.050 9.157 4.047 1.00 0.00 C ATOM 0 H ALA A 103 -10.199 8.158 5.313 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.722 10.221 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.424 9.309 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.835 9.931 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.839 8.178 4.478 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.319 8.458 1.354 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.540 7.558 0.228 1.00 0.00 C ATOM 1510 C PHE A 104 -8.245 7.331 -0.547 1.00 0.00 C ATOM 1511 O PHE A 104 -7.578 8.281 -0.957 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.612 8.125 -0.704 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.014 7.810 -0.265 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.626 6.629 -0.652 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.720 8.695 0.534 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -13.916 6.337 -0.250 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.010 8.409 0.938 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.608 7.227 0.546 1.00 0.00 C ATOM 0 H PHE A 104 -8.757 9.280 1.133 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.881 6.601 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.493 9.207 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.456 7.729 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.089 5.929 -1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.256 9.620 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.382 5.413 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.550 9.108 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.615 7.000 0.862 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.895 6.063 -0.744 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.681 5.709 -1.469 1.00 0.00 C ATOM 1530 C VAL A 105 -7.012 5.057 -2.807 1.00 0.00 C ATOM 1531 O VAL A 105 -7.573 3.962 -2.854 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.796 4.752 -0.650 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.512 4.437 -1.401 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.492 5.347 0.716 1.00 0.00 C ATOM 0 H VAL A 105 -8.435 5.264 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.135 6.636 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.340 3.819 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.900 3.759 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.754 3.966 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.961 5.360 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.865 4.658 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.968 6.295 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.424 5.516 1.255 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.661 5.738 -3.894 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.921 5.225 -5.234 1.00 0.00 C ATOM 1546 C TYR A 106 -5.665 4.602 -5.833 1.00 0.00 C ATOM 1547 O TYR A 106 -4.584 5.192 -5.791 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.430 6.347 -6.140 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.419 7.272 -5.465 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.554 6.770 -4.842 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.215 8.646 -5.449 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.460 7.611 -4.225 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.114 9.494 -4.832 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.236 8.972 -4.222 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.135 9.811 -3.607 1.00 0.00 O ATOM 0 H TYR A 106 -6.196 6.646 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.686 4.452 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.580 6.932 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.900 5.907 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.731 5.705 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.339 9.058 -5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.339 7.205 -3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.940 10.560 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.830 10.738 -3.694 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.814 3.406 -6.391 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.692 2.700 -7.001 1.00 0.00 C ATOM 1567 C LEU A 107 -4.829 2.668 -8.519 1.00 0.00 C ATOM 1568 O LEU A 107 -5.750 2.053 -9.056 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.605 1.273 -6.455 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.142 1.062 -5.039 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -5.687 -0.349 -4.880 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.054 1.334 -4.011 1.00 0.00 C ATOM 0 H LEU A 107 -6.701 2.904 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.777 3.236 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.149 0.613 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.561 0.960 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.957 1.766 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.065 -0.481 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.496 -0.509 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.891 -1.070 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.453 1.179 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.218 0.655 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.710 2.364 -4.109 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.907 3.335 -9.206 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.924 3.382 -10.663 1.00 0.00 C ATOM 1586 C ARG A 108 -2.557 3.018 -11.235 1.00 0.00 C ATOM 1587 O ARG A 108 -2.462 2.363 -12.272 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.337 4.774 -11.144 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.576 5.316 -10.450 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.035 6.625 -11.073 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.434 6.457 -12.467 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.217 7.312 -13.116 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.683 8.389 -12.498 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.536 7.091 -14.385 1.00 0.00 N ATOM 0 H ARG A 108 -3.139 3.850 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.652 2.652 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.509 5.465 -10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.519 4.739 -12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.379 4.582 -10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.364 5.470 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.873 7.024 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.230 7.357 -11.012 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.093 5.638 -12.971 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.440 8.562 -11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.284 9.044 -12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.180 6.264 -14.864 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.137 7.748 -14.882 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.502 3.449 -10.551 1.00 0.00 N ATOM 1609 CA GLN A 109 -0.141 3.170 -10.993 1.00 0.00 C ATOM 1610 C GLN A 109 0.486 2.059 -10.155 1.00 0.00 C ATOM 1611 O GLN A 109 0.968 2.283 -9.046 1.00 0.00 O ATOM 1612 CB GLN A 109 0.716 4.434 -10.906 1.00 0.00 C ATOM 1613 CG GLN A 109 0.685 5.277 -12.172 1.00 0.00 C ATOM 1614 CD GLN A 109 0.865 6.756 -11.893 1.00 0.00 C ATOM 1615 OE1 GLN A 109 1.673 7.428 -12.535 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.110 7.273 -10.931 1.00 0.00 N ATOM 0 H GLN A 109 -1.563 3.992 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.184 2.839 -12.031 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.372 5.039 -10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.747 4.151 -10.693 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.471 4.940 -12.847 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.264 5.121 -12.685 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.547 6.680 -10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.187 8.263 -10.699 1.00 0.00 H new ATOM 1625 N PRO A 110 0.480 0.833 -10.699 1.00 0.00 N ATOM 1626 CA PRO A 110 1.045 -0.336 -10.019 1.00 0.00 C ATOM 1627 C PRO A 110 2.566 -0.277 -9.930 1.00 0.00 C ATOM 1628 O PRO A 110 3.268 -0.675 -10.859 1.00 0.00 O ATOM 1629 CB PRO A 110 0.607 -1.506 -10.904 1.00 0.00 C ATOM 1630 CG PRO A 110 0.412 -0.908 -12.255 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.077 0.495 -12.019 1.00 0.00 C ATOM 0 HA PRO A 110 0.703 -0.412 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.363 -2.291 -10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.313 -1.958 -10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.344 -0.907 -12.820 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.311 -1.481 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.276 1.179 -12.791 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.166 0.547 -12.021 1.00 0.00 H new ATOM 1639 N TYR A 111 3.068 0.222 -8.806 1.00 0.00 N ATOM 1640 CA TYR A 111 4.506 0.335 -8.595 1.00 0.00 C ATOM 1641 C TYR A 111 5.195 -1.010 -8.804 1.00 0.00 C ATOM 1642 O TYR A 111 5.029 -1.936 -8.009 1.00 0.00 O ATOM 1643 CB TYR A 111 4.797 0.857 -7.187 1.00 0.00 C ATOM 1644 CG TYR A 111 6.224 1.320 -6.997 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.695 2.461 -7.635 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.101 0.618 -6.180 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.998 2.889 -7.464 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.405 1.039 -6.002 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.849 2.175 -6.647 1.00 0.00 C ATOM 1650 OH TYR A 111 10.147 2.597 -6.473 1.00 0.00 O ATOM 0 H TYR A 111 2.500 0.555 -8.027 1.00 0.00 H new ATOM 0 HA TYR A 111 4.900 1.042 -9.325 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.123 1.685 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.580 0.070 -6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.031 3.023 -8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.758 -0.273 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.348 3.778 -7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.073 0.482 -5.362 1.00 0.00 H new ATOM 0 HH TYR A 111 10.188 3.572 -6.560 1.00 0.00 H new ATOM 1660 N TYR A 112 5.970 -1.111 -9.879 1.00 0.00 N ATOM 1661 CA TYR A 112 6.683 -2.343 -10.194 1.00 0.00 C ATOM 1662 C TYR A 112 7.957 -2.462 -9.364 1.00 0.00 C ATOM 1663 O TYR A 112 8.058 -3.310 -8.478 1.00 0.00 O ATOM 1664 CB TYR A 112 7.025 -2.390 -11.685 1.00 0.00 C ATOM 1665 CG TYR A 112 5.969 -1.766 -12.569 1.00 0.00 C ATOM 1666 CD1 TYR A 112 4.754 -2.402 -12.787 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.187 -0.541 -13.186 1.00 0.00 C ATOM 1668 CE1 TYR A 112 3.787 -1.836 -13.595 1.00 0.00 C ATOM 1669 CE2 TYR A 112 5.225 0.034 -13.993 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.027 -0.618 -14.196 1.00 0.00 C ATOM 1671 OH TYR A 112 3.067 -0.050 -15.001 1.00 0.00 O ATOM 0 H TYR A 112 6.120 -0.354 -10.546 1.00 0.00 H new ATOM 0 HA TYR A 112 6.033 -3.183 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.973 -1.877 -11.848 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.169 -3.428 -11.983 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.562 -3.355 -12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 112 7.125 -0.029 -13.032 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.848 -2.345 -13.755 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.410 0.989 -14.462 1.00 0.00 H new ATOM 0 HH TYR A 112 3.394 0.807 -15.345 1.00 0.00 H new ATOM 1681 N SER A 113 8.930 -1.605 -9.659 1.00 0.00 N ATOM 1682 CA SER A 113 10.200 -1.615 -8.943 1.00 0.00 C ATOM 1683 C SER A 113 11.042 -0.398 -9.313 1.00 0.00 C ATOM 1684 O SER A 113 11.047 0.042 -10.462 1.00 0.00 O ATOM 1685 CB SER A 113 10.974 -2.898 -9.254 1.00 0.00 C ATOM 1686 OG SER A 113 12.343 -2.763 -8.910 1.00 0.00 O ATOM 0 H SER A 113 8.863 -0.895 -10.389 1.00 0.00 H new ATOM 0 HA SER A 113 9.987 -1.577 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.538 -3.732 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.884 -3.133 -10.314 1.00 0.00 H new ATOM 0 HG SER A 113 12.816 -3.596 -9.117 1.00 0.00 H new ATOM 1692 N GLY A 114 11.755 0.142 -8.330 1.00 0.00 N ATOM 1693 CA GLY A 114 12.591 1.304 -8.570 1.00 0.00 C ATOM 1694 C GLY A 114 13.868 0.956 -9.309 1.00 0.00 C ATOM 1695 O GLY A 114 14.452 -0.110 -9.116 1.00 0.00 O ATOM 0 H GLY A 114 11.769 -0.205 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.030 2.039 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.842 1.771 -7.617 1.00 0.00 H new ATOM 1699 N PRO A 115 14.321 1.871 -10.179 1.00 0.00 N ATOM 1700 CA PRO A 115 15.541 1.677 -10.968 1.00 0.00 C ATOM 1701 C PRO A 115 16.800 1.727 -10.110 1.00 0.00 C ATOM 1702 O PRO A 115 17.735 0.954 -10.317 1.00 0.00 O ATOM 1703 CB PRO A 115 15.517 2.849 -11.953 1.00 0.00 C ATOM 1704 CG PRO A 115 14.707 3.898 -11.272 1.00 0.00 C ATOM 1705 CD PRO A 115 13.676 3.165 -10.461 1.00 0.00 C ATOM 0 HA PRO A 115 15.564 0.699 -11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 115 16.524 3.205 -12.170 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.070 2.558 -12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.333 4.522 -10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.234 4.559 -11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.431 3.700 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 115 12.745 3.038 -11.014 1.00 0.00 H new ATOM 1713 N SER A 116 16.817 2.642 -9.145 1.00 0.00 N ATOM 1714 CA SER A 116 17.963 2.795 -8.257 1.00 0.00 C ATOM 1715 C SER A 116 18.405 1.445 -7.702 1.00 0.00 C ATOM 1716 O SER A 116 17.597 0.529 -7.548 1.00 0.00 O ATOM 1717 CB SER A 116 17.622 3.744 -7.107 1.00 0.00 C ATOM 1718 OG SER A 116 17.246 5.021 -7.594 1.00 0.00 O ATOM 0 H SER A 116 16.050 3.288 -8.959 1.00 0.00 H new ATOM 0 HA SER A 116 18.785 3.217 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 116 16.810 3.324 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.483 3.843 -6.445 1.00 0.00 H new ATOM 0 HG SER A 116 17.031 5.609 -6.840 1.00 0.00 H new ATOM 1724 N SER A 117 19.695 1.328 -7.405 1.00 0.00 N ATOM 1725 CA SER A 117 20.248 0.088 -6.871 1.00 0.00 C ATOM 1726 C SER A 117 20.042 0.007 -5.362 1.00 0.00 C ATOM 1727 O SER A 117 19.411 -0.922 -4.858 1.00 0.00 O ATOM 1728 CB SER A 117 21.738 -0.015 -7.199 1.00 0.00 C ATOM 1729 OG SER A 117 22.217 -1.331 -6.989 1.00 0.00 O ATOM 0 H SER A 117 20.377 2.077 -7.525 1.00 0.00 H new ATOM 0 HA SER A 117 19.722 -0.745 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 117 21.906 0.275 -8.236 1.00 0.00 H new ATOM 0 HB3 SER A 117 22.299 0.683 -6.578 1.00 0.00 H new ATOM 0 HG SER A 117 23.172 -1.370 -7.207 1.00 0.00 H new ATOM 1735 N GLY A 118 20.580 0.989 -4.644 1.00 0.00 N ATOM 1736 CA GLY A 118 20.445 1.011 -3.199 1.00 0.00 C ATOM 1737 C GLY A 118 21.571 0.277 -2.500 1.00 0.00 C ATOM 1738 O GLY A 118 22.360 0.913 -1.804 1.00 0.00 O ATOM 0 H GLY A 118 21.107 1.769 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 118 20.421 2.045 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 118 19.493 0.560 -2.919 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 11.771 9.710 12.500 1.00 0.00 N ATOM 1744 CA ALA B 1 11.962 8.490 13.275 1.00 0.00 C ATOM 1745 C ALA B 1 12.558 7.380 12.416 1.00 0.00 C ATOM 1746 O ALA B 1 11.858 6.752 11.622 1.00 0.00 O ATOM 1747 CB ALA B 1 10.642 8.038 13.883 1.00 0.00 C ATOM 0 H1 ALA B 1 11.364 10.448 13.109 1.00 0.00 H new ATOM 0 H2 ALA B 1 12.688 10.033 12.129 1.00 0.00 H new ATOM 0 H3 ALA B 1 11.125 9.520 11.708 1.00 0.00 H new ATOM 0 HA ALA B 1 12.665 8.708 14.079 1.00 0.00 H new ATOM 0 HB1 ALA B 1 10.800 7.126 14.459 1.00 0.00 H new ATOM 0 HB2 ALA B 1 10.257 8.819 14.539 1.00 0.00 H new ATOM 0 HB3 ALA B 1 9.922 7.845 13.088 1.00 0.00 H new ATOM 1753 N THR B 2 13.856 7.144 12.580 1.00 0.00 N ATOM 1754 CA THR B 2 14.546 6.111 11.817 1.00 0.00 C ATOM 1755 C THR B 2 13.967 4.732 12.110 1.00 0.00 C ATOM 1756 O THR B 2 13.514 4.034 11.203 1.00 0.00 O ATOM 1757 CB THR B 2 16.055 6.098 12.128 1.00 0.00 C ATOM 1758 OG1 THR B 2 16.263 6.056 13.544 1.00 0.00 O ATOM 1759 CG2 THR B 2 16.738 7.327 11.546 1.00 0.00 C ATOM 0 H THR B 2 14.450 7.654 13.234 1.00 0.00 H new ATOM 0 HA THR B 2 14.401 6.346 10.763 1.00 0.00 H new ATOM 0 HB THR B 2 16.490 5.209 11.671 1.00 0.00 H new ATOM 0 HG1 THR B 2 17.225 6.046 13.733 1.00 0.00 H new ATOM 0 HG21 THR B 2 17.803 7.296 11.778 1.00 0.00 H new ATOM 0 HG22 THR B 2 16.603 7.340 10.465 1.00 0.00 H new ATOM 0 HG23 THR B 2 16.299 8.226 11.978 1.00 0.00 H new ATOM 1767 N GLU B 3 13.984 4.345 13.382 1.00 0.00 N ATOM 1768 CA GLU B 3 13.459 3.048 13.792 1.00 0.00 C ATOM 1769 C GLU B 3 12.189 3.213 14.621 1.00 0.00 C ATOM 1770 O GLU B 3 12.241 3.624 15.780 1.00 0.00 O ATOM 1771 CB GLU B 3 14.510 2.280 14.596 1.00 0.00 C ATOM 1772 CG GLU B 3 14.238 0.787 14.682 1.00 0.00 C ATOM 1773 CD GLU B 3 15.315 0.041 15.446 1.00 0.00 C ATOM 1774 OE1 GLU B 3 15.375 0.190 16.685 1.00 0.00 O ATOM 1775 OE2 GLU B 3 16.097 -0.692 14.806 1.00 0.00 O ATOM 0 H GLU B 3 14.355 4.911 14.145 1.00 0.00 H new ATOM 0 HA GLU B 3 13.214 2.482 12.893 1.00 0.00 H new ATOM 0 HB2 GLU B 3 15.489 2.437 14.143 1.00 0.00 H new ATOM 0 HB3 GLU B 3 14.556 2.691 15.604 1.00 0.00 H new ATOM 0 HG2 GLU B 3 13.275 0.624 15.166 1.00 0.00 H new ATOM 0 HG3 GLU B 3 14.162 0.377 13.675 1.00 0.00 H new ATOM 1782 N GLN B 4 11.049 2.888 14.018 1.00 0.00 N ATOM 1783 CA GLN B 4 9.766 3.002 14.700 1.00 0.00 C ATOM 1784 C GLN B 4 8.692 2.198 13.974 1.00 0.00 C ATOM 1785 O GLN B 4 8.655 2.162 12.745 1.00 0.00 O ATOM 1786 CB GLN B 4 9.343 4.468 14.797 1.00 0.00 C ATOM 1787 CG GLN B 4 8.356 4.745 15.920 1.00 0.00 C ATOM 1788 CD GLN B 4 9.041 5.062 17.234 1.00 0.00 C ATOM 1789 OE1 GLN B 4 9.244 6.227 17.577 1.00 0.00 O ATOM 1790 NE2 GLN B 4 9.402 4.024 17.980 1.00 0.00 N ATOM 0 H GLN B 4 10.989 2.544 13.060 1.00 0.00 H new ATOM 0 HA GLN B 4 9.881 2.598 15.706 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.230 5.084 14.944 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.897 4.772 13.850 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.716 5.581 15.638 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.709 3.878 16.052 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.215 3.075 17.658 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.867 4.176 18.875 1.00 0.00 H new ATOM 1799 N GLU B 5 7.820 1.554 14.745 1.00 0.00 N ATOM 1800 CA GLU B 5 6.745 0.750 14.175 1.00 0.00 C ATOM 1801 C GLU B 5 5.847 1.598 13.280 1.00 0.00 C ATOM 1802 O GLU B 5 4.924 2.260 13.758 1.00 0.00 O ATOM 1803 CB GLU B 5 5.915 0.105 15.286 1.00 0.00 C ATOM 1804 CG GLU B 5 6.457 -1.236 15.751 1.00 0.00 C ATOM 1805 CD GLU B 5 7.479 -1.098 16.864 1.00 0.00 C ATOM 1806 OE1 GLU B 5 7.339 -0.168 17.684 1.00 0.00 O ATOM 1807 OE2 GLU B 5 8.417 -1.921 16.913 1.00 0.00 O ATOM 0 H GLU B 5 7.837 1.574 15.765 1.00 0.00 H new ATOM 0 HA GLU B 5 7.196 -0.035 13.568 1.00 0.00 H new ATOM 0 HB2 GLU B 5 5.872 0.785 16.137 1.00 0.00 H new ATOM 0 HB3 GLU B 5 4.892 -0.029 14.933 1.00 0.00 H new ATOM 0 HG2 GLU B 5 5.631 -1.858 16.096 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.913 -1.752 14.906 1.00 0.00 H new ATOM 1814 N ILE B 6 6.123 1.576 11.980 1.00 0.00 N ATOM 1815 CA ILE B 6 5.340 2.342 11.020 1.00 0.00 C ATOM 1816 C ILE B 6 3.871 2.392 11.423 1.00 0.00 C ATOM 1817 O ILE B 6 3.338 1.439 11.994 1.00 0.00 O ATOM 1818 CB ILE B 6 5.451 1.749 9.602 1.00 0.00 C ATOM 1819 CG1 ILE B 6 6.914 1.715 9.153 1.00 0.00 C ATOM 1820 CG2 ILE B 6 4.609 2.555 8.624 1.00 0.00 C ATOM 1821 CD1 ILE B 6 7.630 0.436 9.526 1.00 0.00 C ATOM 0 H ILE B 6 6.884 1.035 11.568 1.00 0.00 H new ATOM 0 HA ILE B 6 5.748 3.353 11.016 1.00 0.00 H new ATOM 0 HB ILE B 6 5.073 0.727 9.620 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.957 1.844 8.072 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.441 2.560 9.596 1.00 0.00 H new ATOM 0 HG21 ILE B 6 4.698 2.124 7.627 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.565 2.532 8.938 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.960 3.587 8.606 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.662 0.481 9.177 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.619 0.315 10.609 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.127 -0.412 9.061 1.00 0.00 H new ATOM 1833 N THR B 7 3.218 3.511 11.123 1.00 0.00 N ATOM 1834 CA THR B 7 1.809 3.686 11.454 1.00 0.00 C ATOM 1835 C THR B 7 0.923 3.423 10.242 1.00 0.00 C ATOM 1836 O THR B 7 0.997 4.135 9.240 1.00 0.00 O ATOM 1837 CB THR B 7 1.529 5.105 11.983 1.00 0.00 C ATOM 1838 OG1 THR B 7 2.178 5.294 13.245 1.00 0.00 O ATOM 1839 CG2 THR B 7 0.033 5.340 12.135 1.00 0.00 C ATOM 0 H THR B 7 3.643 4.310 10.651 1.00 0.00 H new ATOM 0 HA THR B 7 1.575 2.962 12.235 1.00 0.00 H new ATOM 0 HB THR B 7 1.922 5.822 11.262 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.997 6.199 13.574 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.141 6.349 12.510 1.00 0.00 H new ATOM 0 HG22 THR B 7 -0.454 5.224 11.167 1.00 0.00 H new ATOM 0 HG23 THR B 7 -0.380 4.616 12.837 1.00 0.00 H new HETATM 1847 N PTR B 8 0.084 2.398 10.339 1.00 0.00 N HETATM 1848 CA PTR B 8 -0.816 2.040 9.249 1.00 0.00 C HETATM 1849 C PTR B 8 -2.054 2.932 9.250 1.00 0.00 C HETATM 1850 O PTR B 8 -2.300 3.670 10.204 1.00 0.00 O HETATM 1851 CB PTR B 8 -1.231 0.572 9.362 1.00 0.00 C HETATM 1852 CG PTR B 8 -0.092 -0.398 9.138 1.00 0.00 C HETATM 1853 CD1 PTR B 8 0.962 -0.482 10.038 1.00 0.00 C HETATM 1854 CD2 PTR B 8 -0.071 -1.229 8.025 1.00 0.00 C HETATM 1855 CE1 PTR B 8 2.004 -1.366 9.837 1.00 0.00 C HETATM 1856 CE2 PTR B 8 0.966 -2.117 7.816 1.00 0.00 C HETATM 1857 CZ PTR B 8 2.001 -2.182 8.725 1.00 0.00 C HETATM 1858 OH PTR B 8 3.037 -3.065 8.520 1.00 0.00 O HETATM 1859 P PTR B 8 4.562 -2.648 8.269 1.00 0.00 P HETATM 1860 O1P PTR B 8 4.628 -1.528 7.304 1.00 0.00 O HETATM 1861 O2P PTR B 8 5.186 -2.224 9.541 1.00 0.00 O HETATM 1862 O3P PTR B 8 5.317 -3.797 7.723 1.00 0.00 O HETATM 0 HE2 PTR B 8 0.966 -2.763 6.938 1.00 0.00 H new HETATM 0 HE1 PTR B 8 2.824 -1.418 10.553 1.00 0.00 H new HETATM 0 HD2 PTR B 8 -0.887 -1.179 7.304 1.00 0.00 H new HETATM 0 HD1 PTR B 8 0.967 0.161 10.918 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.656 0.398 10.351 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -2.018 0.369 8.636 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.284 2.188 8.309 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.830 2.856 8.174 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.044 3.653 8.050 1.00 0.00 C ATOM 1873 C ALA B 9 -5.289 2.780 8.169 1.00 0.00 C ATOM 1874 O ALA B 9 -5.782 2.250 7.174 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.050 4.406 6.728 1.00 0.00 C ATOM 0 H ALA B 9 -2.639 2.251 7.376 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.059 4.375 8.866 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.963 4.997 6.650 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.185 5.067 6.682 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.007 3.694 5.904 1.00 0.00 H new ATOM 1881 N GLU B 10 -5.790 2.634 9.392 1.00 0.00 N ATOM 1882 CA GLU B 10 -6.976 1.823 9.638 1.00 0.00 C ATOM 1883 C GLU B 10 -8.001 2.004 8.522 1.00 0.00 C ATOM 1884 O GLU B 10 -8.018 3.029 7.838 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.603 2.193 10.985 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.668 3.690 11.235 1.00 0.00 C ATOM 1887 CD GLU B 10 -8.950 4.312 10.716 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -9.060 4.507 9.487 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -9.843 4.604 11.539 1.00 0.00 O ATOM 0 H GLU B 10 -5.393 3.066 10.226 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.671 0.777 9.661 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.611 1.781 11.032 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.029 1.724 11.784 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -7.583 3.880 12.305 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -6.815 4.172 10.757 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.854 1.001 8.342 1.00 0.00 N ATOM 1897 CA LEU B 11 -9.882 1.048 7.308 1.00 0.00 C ATOM 1898 C LEU B 11 -11.268 0.837 7.909 1.00 0.00 C ATOM 1899 O LEU B 11 -11.401 0.356 9.033 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.609 -0.015 6.242 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.269 0.094 5.513 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.147 -0.991 4.456 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.113 1.472 4.886 1.00 0.00 C ATOM 0 H LEU B 11 -8.854 0.146 8.898 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.853 2.034 6.845 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.665 -0.996 6.713 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.407 0.029 5.501 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.469 -0.045 6.241 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.187 -0.898 3.948 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.213 -1.970 4.930 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.954 -0.885 3.731 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.154 1.531 4.372 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.919 1.640 4.172 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.154 2.233 5.665 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.297 1.200 7.151 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.674 1.050 7.608 1.00 0.00 C ATOM 1917 C ASN B 12 -14.229 -0.318 7.223 1.00 0.00 C ATOM 1918 O ASN B 12 -13.778 -0.933 6.255 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.553 2.154 7.017 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.032 1.879 7.208 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.646 1.153 6.426 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -16.612 2.462 8.251 1.00 0.00 N ATOM 0 H ASN B 12 -12.204 1.600 6.217 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.681 1.132 8.695 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.300 3.106 7.484 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.339 2.254 5.953 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.605 2.316 8.430 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.064 3.056 8.873 1.00 0.00 H new ATOM 1929 N LEU B 13 -15.209 -0.789 7.986 1.00 0.00 N ATOM 1930 CA LEU B 13 -15.827 -2.084 7.725 1.00 0.00 C ATOM 1931 C LEU B 13 -17.333 -1.940 7.530 1.00 0.00 C ATOM 1932 O LEU B 13 -17.872 -0.835 7.588 1.00 0.00 O ATOM 1933 CB LEU B 13 -15.539 -3.050 8.876 1.00 0.00 C ATOM 1934 CG LEU B 13 -14.083 -3.135 9.333 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -13.935 -4.146 10.459 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -13.178 -3.499 8.165 1.00 0.00 C ATOM 0 H LEU B 13 -15.593 -0.293 8.791 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.398 -2.485 6.807 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -16.150 -2.758 9.730 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.864 -4.047 8.577 1.00 0.00 H new ATOM 0 HG LEU B 13 -13.783 -2.157 9.709 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.892 -4.193 10.771 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -14.553 -3.843 11.304 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -14.254 -5.128 10.110 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -12.145 -3.555 8.509 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -13.478 -4.465 7.759 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -13.261 -2.738 7.389 1.00 0.00 H new ATOM 1948 N GLN B 14 -18.005 -3.064 7.302 1.00 0.00 N ATOM 1949 CA GLN B 14 -19.449 -3.062 7.102 1.00 0.00 C ATOM 1950 C GLN B 14 -20.141 -2.175 8.132 1.00 0.00 C ATOM 1951 O GLN B 14 -21.205 -1.613 7.869 1.00 0.00 O ATOM 1952 CB GLN B 14 -19.999 -4.487 7.187 1.00 0.00 C ATOM 1953 CG GLN B 14 -19.557 -5.237 8.433 1.00 0.00 C ATOM 1954 CD GLN B 14 -20.427 -6.441 8.730 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -21.425 -6.339 9.444 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -20.055 -7.591 8.181 1.00 0.00 N ATOM 0 H GLN B 14 -17.573 -3.987 7.251 1.00 0.00 H new ATOM 0 HA GLN B 14 -19.652 -2.660 6.109 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -21.088 -4.449 7.163 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -19.680 -5.044 6.306 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -18.524 -5.562 8.309 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -19.578 -4.559 9.287 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -19.221 -7.630 7.596 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -20.604 -8.435 8.344 1.00 0.00 H new ATOM 1965 N LYS B 15 -19.532 -2.055 9.306 1.00 0.00 N ATOM 1966 CA LYS B 15 -20.087 -1.236 10.377 1.00 0.00 C ATOM 1967 C LYS B 15 -18.988 -0.746 11.314 1.00 0.00 C ATOM 1968 O LYS B 15 -17.811 -1.043 11.114 1.00 0.00 O ATOM 1969 CB LYS B 15 -21.128 -2.031 11.167 1.00 0.00 C ATOM 1970 CG LYS B 15 -20.526 -3.099 12.064 1.00 0.00 C ATOM 1971 CD LYS B 15 -20.122 -2.532 13.414 1.00 0.00 C ATOM 1972 CE LYS B 15 -19.977 -3.627 14.459 1.00 0.00 C ATOM 1973 NZ LYS B 15 -19.957 -3.075 15.841 1.00 0.00 N ATOM 0 H LYS B 15 -18.652 -2.515 9.541 1.00 0.00 H new ATOM 0 HA LYS B 15 -20.567 -0.368 9.925 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -21.712 -1.342 11.778 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -21.819 -2.502 10.469 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -21.247 -3.903 12.208 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -19.654 -3.536 11.576 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -19.179 -1.994 13.316 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -20.868 -1.809 13.744 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -20.802 -4.333 14.362 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -19.058 -4.183 14.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -19.857 -3.853 16.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -19.155 -2.420 15.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -20.845 -2.566 16.024 1.00 0.00 H new TER 1987 LYS B 15