USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1101 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 43 LYS NZ :NH3+ 153:sc= 0.0341 (180deg=-1.13) USER MOD Set 1.2: C 54 SER OG : rot 180:sc= 0.709 USER MOD Set 2.1: C 36 GLN : amide:sc= -1.9! K(o=-1.8!,f=-0.45) USER MOD Set 2.2: C 71 LYS NZ :NH3+ 167:sc= 0.146 (180deg=-0.349) USER MOD Set 3.1: C 23 THR OG1 : rot 150:sc= 1.2 USER MOD Set 3.2: C 27 GLN : amide:sc= 1.03 K(o=2.2,f=0.99) USER MOD Set 4.1: A 0 SER OG : rot -130:sc= 1.4 USER MOD Set 4.2: A 7 HIS : no HE2:sc= 1.07 K(o=2.5,f=-7.2!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0977 (180deg=-0.489) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0122 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -49:sc= 0.316 USER MOD Single : A 14 HIS : no HD1:sc= 0.526 K(o=0.53,f=-5.5!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 6 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.014) USER MOD Single : C 7 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.053) USER MOD Single : C 8 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=-0.023) USER MOD Single : C 9 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=-0.062) USER MOD Single : C 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.026) USER MOD Single : C 16 MET CE :methyl -164:sc= -0.0925 (180deg=-0.527) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 11:sc= 0.197 USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : C 37 MET CE :methyl 163:sc= -0.0685 (180deg=-0.418) USER MOD Single : C 38 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.7!) USER MOD Single : C 40 LYS NZ :NH3+ 174:sc= -0.225 (180deg=-0.419) USER MOD Single : C 45 HIS : no HD1:sc= -0.494 K(o=-0.49,f=0.13) USER MOD Single : C 49 SER OG : rot 63:sc= 1.31 USER MOD Single : C 51 SER OG : rot -42:sc= 0.897 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -5.6! C(o=-5.6!,f=-11!) USER MOD Single : C 61 TYR OH : rot 0:sc= -0.168 USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 67 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 73 GLN : amide:sc= -0.56 K(o=-0.56,f=0) USER MOD Single : C 75 TYR OH : rot -150:sc= 0.0728 USER MOD Single : C 76 ASN : amide:sc= -0.418 K(o=-0.42,f=-1) USER MOD Single : C 80 LYS NZ :NH3+ -138:sc= -0.0258 (180deg=-0.162) USER MOD Single : C 83 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.14) USER MOD Single : C 91 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.043) USER MOD Single : C 92 THR OG1 : rot -55:sc= 0.376 USER MOD Single : C 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 96 SER OG : rot 180:sc= 0 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD Single : C 100 SER OG : rot -160:sc= -0.557 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -13.499 -26.298 7.067 1.00 0.00 N ATOM 2 CA GLY A -1 -13.163 -24.920 6.641 1.00 0.00 C ATOM 3 C GLY A -1 -13.171 -24.779 5.137 1.00 0.00 C ATOM 4 O GLY A -1 -14.117 -25.210 4.477 1.00 0.00 O ATOM 0 H1 GLY A -1 -13.483 -26.354 8.105 1.00 0.00 H new ATOM 0 H2 GLY A -1 -14.448 -26.547 6.721 1.00 0.00 H new ATOM 0 H3 GLY A -1 -12.802 -26.963 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -13.878 -24.221 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -12.180 -24.650 7.026 1.00 0.00 H new ATOM 10 N SER A 0 -12.118 -24.184 4.593 1.00 0.00 N ATOM 11 CA SER A 0 -12.004 -23.989 3.156 1.00 0.00 C ATOM 12 C SER A 0 -11.835 -25.324 2.438 1.00 0.00 C ATOM 13 O SER A 0 -10.790 -25.971 2.536 1.00 0.00 O ATOM 14 CB SER A 0 -10.833 -23.054 2.853 1.00 0.00 C ATOM 15 OG SER A 0 -9.735 -23.320 3.712 1.00 0.00 O ATOM 0 H SER A 0 -11.327 -23.827 5.129 1.00 0.00 H new ATOM 0 HA SER A 0 -12.923 -23.531 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 0 -10.525 -23.176 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 0 -11.150 -22.018 2.972 1.00 0.00 H new ATOM 0 HG SER A 0 -9.426 -22.483 4.117 1.00 0.00 H new ATOM 21 N MET A 1 -12.875 -25.733 1.729 1.00 0.00 N ATOM 22 CA MET A 1 -12.873 -27.005 1.026 1.00 0.00 C ATOM 23 C MET A 1 -12.159 -26.863 -0.310 1.00 0.00 C ATOM 24 O MET A 1 -11.368 -27.721 -0.704 1.00 0.00 O ATOM 25 CB MET A 1 -14.306 -27.496 0.804 1.00 0.00 C ATOM 26 CG MET A 1 -15.118 -27.602 2.086 1.00 0.00 C ATOM 27 SD MET A 1 -16.756 -28.319 1.825 1.00 0.00 S ATOM 28 CE MET A 1 -17.471 -27.143 0.677 1.00 0.00 C ATOM 0 H MET A 1 -13.737 -25.198 1.625 1.00 0.00 H new ATOM 0 HA MET A 1 -12.344 -27.737 1.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.812 -26.816 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.276 -28.473 0.321 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.572 -28.210 2.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.227 -26.610 2.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.552 -27.281 0.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.245 -26.129 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.052 -27.303 -0.316 1.00 0.00 H new ATOM 38 N ALA A 2 -12.431 -25.762 -0.994 1.00 0.00 N ATOM 39 CA ALA A 2 -11.816 -25.488 -2.283 1.00 0.00 C ATOM 40 C ALA A 2 -10.448 -24.841 -2.097 1.00 0.00 C ATOM 41 O ALA A 2 -10.315 -23.619 -2.202 1.00 0.00 O ATOM 42 CB ALA A 2 -12.721 -24.599 -3.121 1.00 0.00 C ATOM 0 H ALA A 2 -13.077 -25.040 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.677 -26.432 -2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.248 -24.402 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.676 -25.100 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.889 -23.657 -2.600 1.00 0.00 H new ATOM 48 N GLU A 3 -9.448 -25.678 -1.804 1.00 0.00 N ATOM 49 CA GLU A 3 -8.071 -25.232 -1.571 1.00 0.00 C ATOM 50 C GLU A 3 -7.945 -24.538 -0.214 1.00 0.00 C ATOM 51 O GLU A 3 -8.870 -23.869 0.248 1.00 0.00 O ATOM 52 CB GLU A 3 -7.593 -24.300 -2.698 1.00 0.00 C ATOM 53 CG GLU A 3 -6.155 -23.832 -2.541 1.00 0.00 C ATOM 54 CD GLU A 3 -5.742 -22.839 -3.604 1.00 0.00 C ATOM 55 OE1 GLU A 3 -5.360 -23.270 -4.710 1.00 0.00 O ATOM 56 OE2 GLU A 3 -5.780 -21.621 -3.337 1.00 0.00 O ATOM 0 H GLU A 3 -9.571 -26.687 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.432 -26.115 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.694 -24.818 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.246 -23.428 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.031 -23.378 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.491 -24.695 -2.579 1.00 0.00 H new ATOM 63 N ALA A 4 -6.797 -24.718 0.428 1.00 0.00 N ATOM 64 CA ALA A 4 -6.521 -24.078 1.706 1.00 0.00 C ATOM 65 C ALA A 4 -6.171 -22.608 1.503 1.00 0.00 C ATOM 66 O ALA A 4 -5.030 -22.186 1.714 1.00 0.00 O ATOM 67 CB ALA A 4 -5.396 -24.803 2.429 1.00 0.00 C ATOM 0 H ALA A 4 -6.039 -25.306 0.081 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.418 -24.133 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.201 -24.313 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.685 -25.839 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.494 -24.777 1.817 1.00 0.00 H new ATOM 73 N SER A 5 -7.155 -21.838 1.079 1.00 0.00 N ATOM 74 CA SER A 5 -6.979 -20.420 0.840 1.00 0.00 C ATOM 75 C SER A 5 -7.040 -19.650 2.158 1.00 0.00 C ATOM 76 O SER A 5 -7.767 -20.039 3.075 1.00 0.00 O ATOM 77 CB SER A 5 -8.066 -19.933 -0.119 1.00 0.00 C ATOM 78 OG SER A 5 -9.352 -20.333 0.327 1.00 0.00 O ATOM 0 H SER A 5 -8.098 -22.178 0.891 1.00 0.00 H new ATOM 0 HA SER A 5 -6.001 -20.245 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.026 -18.847 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.882 -20.333 -1.116 1.00 0.00 H new ATOM 0 HG SER A 5 -10.031 -20.009 -0.301 1.00 0.00 H new ATOM 84 N PRO A 6 -6.259 -18.562 2.281 1.00 0.00 N ATOM 85 CA PRO A 6 -6.291 -17.709 3.467 1.00 0.00 C ATOM 86 C PRO A 6 -7.684 -17.136 3.688 1.00 0.00 C ATOM 87 O PRO A 6 -8.361 -16.740 2.737 1.00 0.00 O ATOM 88 CB PRO A 6 -5.288 -16.606 3.165 1.00 0.00 C ATOM 89 CG PRO A 6 -4.430 -17.139 2.068 1.00 0.00 C ATOM 90 CD PRO A 6 -5.296 -18.078 1.280 1.00 0.00 C ATOM 0 HA PRO A 6 -6.045 -18.254 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.792 -15.690 2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.694 -16.364 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.057 -16.332 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.560 -17.657 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.794 -17.570 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.717 -18.895 0.849 1.00 0.00 H new ATOM 98 N HIS A 7 -8.111 -17.099 4.936 1.00 0.00 N ATOM 99 CA HIS A 7 -9.492 -16.779 5.252 1.00 0.00 C ATOM 100 C HIS A 7 -9.649 -15.308 5.597 1.00 0.00 C ATOM 101 O HIS A 7 -9.020 -14.802 6.527 1.00 0.00 O ATOM 102 CB HIS A 7 -9.988 -17.657 6.397 1.00 0.00 C ATOM 103 CG HIS A 7 -9.756 -19.117 6.145 1.00 0.00 C ATOM 104 ND1 HIS A 7 -8.790 -19.848 6.799 1.00 0.00 N ATOM 105 CD2 HIS A 7 -10.343 -19.971 5.273 1.00 0.00 C ATOM 106 CE1 HIS A 7 -8.790 -21.084 6.338 1.00 0.00 C ATOM 107 NE2 HIS A 7 -9.721 -21.186 5.412 1.00 0.00 N ATOM 0 H HIS A 7 -7.523 -17.286 5.748 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.099 -16.980 4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.483 -17.366 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.053 -17.483 6.549 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -8.171 -19.490 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.150 -19.739 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.136 -21.879 6.665 1.00 0.00 H new ATOM 116 N PRO A 8 -10.487 -14.607 4.830 1.00 0.00 N ATOM 117 CA PRO A 8 -10.731 -13.175 5.003 1.00 0.00 C ATOM 118 C PRO A 8 -11.714 -12.848 6.124 1.00 0.00 C ATOM 119 O PRO A 8 -12.571 -13.660 6.475 1.00 0.00 O ATOM 120 CB PRO A 8 -11.327 -12.793 3.676 1.00 0.00 C ATOM 121 CG PRO A 8 -12.097 -13.993 3.256 1.00 0.00 C ATOM 122 CD PRO A 8 -11.276 -15.164 3.710 1.00 0.00 C ATOM 0 HA PRO A 8 -9.821 -12.643 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.972 -11.919 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.553 -12.544 2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.087 -14.005 3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.243 -14.009 2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.903 -15.995 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.635 -15.540 2.913 1.00 0.00 H new ATOM 130 N GLY A 9 -11.581 -11.651 6.682 1.00 0.00 N ATOM 131 CA GLY A 9 -12.519 -11.182 7.675 1.00 0.00 C ATOM 132 C GLY A 9 -13.023 -9.791 7.347 1.00 0.00 C ATOM 133 O GLY A 9 -13.711 -9.590 6.346 1.00 0.00 O ATOM 0 H GLY A 9 -10.833 -10.994 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.362 -11.871 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.041 -11.176 8.655 1.00 0.00 H new ATOM 137 N ARG A 10 -12.655 -8.828 8.174 1.00 0.00 N ATOM 138 CA ARG A 10 -13.047 -7.438 7.965 1.00 0.00 C ATOM 139 C ARG A 10 -12.039 -6.726 7.077 1.00 0.00 C ATOM 140 O ARG A 10 -10.912 -6.443 7.497 1.00 0.00 O ATOM 141 CB ARG A 10 -13.177 -6.713 9.307 1.00 0.00 C ATOM 142 CG ARG A 10 -14.213 -7.327 10.234 1.00 0.00 C ATOM 143 CD ARG A 10 -14.435 -6.464 11.465 1.00 0.00 C ATOM 144 NE ARG A 10 -14.939 -5.139 11.110 1.00 0.00 N ATOM 145 CZ ARG A 10 -15.073 -4.132 11.968 1.00 0.00 C ATOM 146 NH1 ARG A 10 -14.762 -4.286 13.252 1.00 0.00 N ATOM 147 NH2 ARG A 10 -15.521 -2.966 11.531 1.00 0.00 N ATOM 0 H ARG A 10 -12.081 -8.981 9.003 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.016 -7.426 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.208 -6.715 9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.439 -5.671 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.155 -7.450 9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.887 -8.322 10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.143 -6.956 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.498 -6.363 12.013 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.206 -4.976 10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.416 -5.185 13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.869 -3.506 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.759 -2.848 10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.628 -2.186 12.179 1.00 0.00 H new ATOM 161 N TYR A 11 -12.442 -6.468 5.843 1.00 0.00 N ATOM 162 CA TYR A 11 -11.650 -5.670 4.921 1.00 0.00 C ATOM 163 C TYR A 11 -12.397 -4.422 4.576 1.00 0.00 C ATOM 164 O TYR A 11 -13.618 -4.442 4.462 1.00 0.00 O ATOM 165 CB TYR A 11 -11.366 -6.406 3.614 1.00 0.00 C ATOM 166 CG TYR A 11 -10.265 -7.409 3.709 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.350 -8.480 4.583 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.128 -7.266 2.933 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.315 -9.388 4.689 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.091 -8.173 3.023 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.186 -9.229 3.907 1.00 0.00 C ATOM 172 OH TYR A 11 -7.151 -10.125 4.008 1.00 0.00 O ATOM 0 H TYR A 11 -13.323 -6.804 5.454 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.705 -5.454 5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.276 -6.910 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.113 -5.676 2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.235 -8.606 5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.051 -6.434 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.387 -10.217 5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.212 -8.057 2.406 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.922 -10.255 4.952 1.00 0.00 H new ATOM 182 N PHE A 12 -11.688 -3.341 4.396 1.00 0.00 N ATOM 183 CA PHE A 12 -12.332 -2.154 3.925 1.00 0.00 C ATOM 184 C PHE A 12 -11.831 -1.783 2.544 1.00 0.00 C ATOM 185 O PHE A 12 -10.635 -1.581 2.335 1.00 0.00 O ATOM 186 CB PHE A 12 -12.154 -0.987 4.876 1.00 0.00 C ATOM 187 CG PHE A 12 -13.037 0.144 4.492 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.394 0.087 4.766 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.522 1.237 3.815 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.222 1.127 4.377 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.339 2.271 3.415 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.694 2.223 3.700 1.00 0.00 C ATOM 0 H PHE A 12 -10.685 -3.260 4.565 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.398 -2.373 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.382 -1.303 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.114 -0.661 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.806 -0.768 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.465 1.279 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.278 1.088 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.926 3.115 2.882 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.339 3.034 3.398 1.00 0.00 H new ATOM 202 N CYS A 13 -12.751 -1.710 1.601 1.00 0.00 N ATOM 203 CA CYS A 13 -12.432 -1.258 0.268 1.00 0.00 C ATOM 204 C CYS A 13 -12.809 0.204 0.134 1.00 0.00 C ATOM 205 O CYS A 13 -13.973 0.574 0.289 1.00 0.00 O ATOM 206 CB CYS A 13 -13.156 -2.100 -0.772 1.00 0.00 C ATOM 207 SG CYS A 13 -13.610 -1.212 -2.281 1.00 0.00 S ATOM 0 H CYS A 13 -13.730 -1.961 1.739 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.361 -1.369 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.522 -2.945 -1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.060 -2.510 -0.322 1.00 0.00 H new ATOM 212 N HIS A 14 -11.824 1.030 -0.152 1.00 0.00 N ATOM 213 CA HIS A 14 -12.032 2.464 -0.201 1.00 0.00 C ATOM 214 C HIS A 14 -12.737 2.883 -1.490 1.00 0.00 C ATOM 215 O HIS A 14 -13.214 4.007 -1.609 1.00 0.00 O ATOM 216 CB HIS A 14 -10.708 3.178 -0.059 1.00 0.00 C ATOM 217 CG HIS A 14 -10.051 3.007 1.278 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.190 3.908 2.306 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.227 2.037 1.742 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.483 3.505 3.343 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.888 2.371 3.029 1.00 0.00 N ATOM 0 H HIS A 14 -10.869 0.733 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.680 2.745 0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.030 2.817 -0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.862 4.242 -0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.898 1.163 1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.404 4.017 4.290 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.277 1.831 3.642 1.00 0.00 H new ATOM 230 N CYS A 15 -12.799 1.974 -2.453 1.00 0.00 N ATOM 231 CA CYS A 15 -13.529 2.221 -3.688 1.00 0.00 C ATOM 232 C CYS A 15 -15.032 2.223 -3.431 1.00 0.00 C ATOM 233 O CYS A 15 -15.768 3.067 -3.942 1.00 0.00 O ATOM 234 CB CYS A 15 -13.166 1.188 -4.718 1.00 0.00 C ATOM 235 SG CYS A 15 -14.117 1.269 -6.252 1.00 0.00 S ATOM 0 H CYS A 15 -12.352 1.058 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.250 3.203 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.108 1.293 -4.958 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.296 0.199 -4.280 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.716 0.334 -7.061 1.00 0.00 H new ATOM 241 N CYS A 16 -15.478 1.275 -2.615 1.00 0.00 N ATOM 242 CA CYS A 16 -16.883 1.191 -2.231 1.00 0.00 C ATOM 243 C CYS A 16 -17.168 2.098 -1.039 1.00 0.00 C ATOM 244 O CYS A 16 -18.286 2.576 -0.857 1.00 0.00 O ATOM 245 CB CYS A 16 -17.261 -0.247 -1.868 1.00 0.00 C ATOM 246 SG CYS A 16 -17.242 -1.401 -3.255 1.00 0.00 S ATOM 0 H CYS A 16 -14.886 0.552 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.480 1.515 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.573 -0.607 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.258 -0.246 -1.426 1.00 0.00 H new ATOM 251 N SER A 17 -16.123 2.324 -0.247 1.00 0.00 N ATOM 252 CA SER A 17 -16.219 3.016 1.035 1.00 0.00 C ATOM 253 C SER A 17 -17.193 2.287 1.956 1.00 0.00 C ATOM 254 O SER A 17 -17.827 2.888 2.825 1.00 0.00 O ATOM 255 CB SER A 17 -16.639 4.470 0.871 1.00 0.00 C ATOM 256 OG SER A 17 -16.024 5.060 -0.266 1.00 0.00 O ATOM 0 H SER A 17 -15.175 2.028 -0.480 1.00 0.00 H new ATOM 0 HA SER A 17 -15.225 3.012 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.723 4.529 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.369 5.032 1.765 1.00 0.00 H new ATOM 0 HG SER A 17 -16.313 5.993 -0.347 1.00 0.00 H new ATOM 262 N VAL A 18 -17.283 0.979 1.764 1.00 0.00 N ATOM 263 CA VAL A 18 -18.092 0.117 2.606 1.00 0.00 C ATOM 264 C VAL A 18 -17.269 -1.117 2.929 1.00 0.00 C ATOM 265 O VAL A 18 -16.486 -1.577 2.091 1.00 0.00 O ATOM 266 CB VAL A 18 -19.405 -0.311 1.912 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.310 -1.065 2.876 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.134 0.889 1.326 1.00 0.00 C ATOM 0 H VAL A 18 -16.794 0.486 1.017 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.368 0.664 3.507 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.142 -0.981 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.227 -1.355 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.797 -1.958 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.555 -0.423 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.054 0.557 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.375 1.593 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.496 1.379 0.590 1.00 0.00 H new ATOM 278 N GLU A 19 -17.420 -1.638 4.133 1.00 0.00 N ATOM 279 CA GLU A 19 -16.617 -2.763 4.564 1.00 0.00 C ATOM 280 C GLU A 19 -17.083 -4.061 3.906 1.00 0.00 C ATOM 281 O GLU A 19 -18.271 -4.246 3.629 1.00 0.00 O ATOM 282 CB GLU A 19 -16.629 -2.881 6.072 1.00 0.00 C ATOM 283 CG GLU A 19 -15.697 -3.921 6.576 1.00 0.00 C ATOM 284 CD GLU A 19 -15.884 -4.225 8.044 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.581 -3.347 8.877 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.331 -5.346 8.372 1.00 0.00 O ATOM 0 H GLU A 19 -18.089 -1.301 4.826 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.590 -2.585 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.363 -1.919 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.640 -3.114 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.838 -4.836 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.671 -3.594 6.407 1.00 0.00 H new ATOM 293 N ILE A 20 -16.130 -4.953 3.666 1.00 0.00 N ATOM 294 CA ILE A 20 -16.344 -6.136 2.843 1.00 0.00 C ATOM 295 C ILE A 20 -15.789 -7.396 3.504 1.00 0.00 C ATOM 296 O ILE A 20 -15.089 -7.335 4.522 1.00 0.00 O ATOM 297 CB ILE A 20 -15.616 -6.005 1.486 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.147 -6.356 1.693 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.745 -4.598 0.950 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.387 -6.667 0.444 1.00 0.00 C ATOM 0 H ILE A 20 -15.184 -4.876 4.038 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.423 -6.215 2.711 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.064 -6.683 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.658 -5.523 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.085 -7.215 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.227 -4.524 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.799 -4.357 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.303 -3.897 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.353 -6.904 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.843 -7.521 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.409 -5.803 -0.220 1.00 0.00 H new ATOM 312 N VAL A 21 -16.135 -8.532 2.917 1.00 0.00 N ATOM 313 CA VAL A 21 -15.389 -9.757 3.092 1.00 0.00 C ATOM 314 C VAL A 21 -14.929 -10.217 1.710 1.00 0.00 C ATOM 315 O VAL A 21 -15.724 -10.644 0.871 1.00 0.00 O ATOM 316 CB VAL A 21 -16.205 -10.871 3.779 1.00 0.00 C ATOM 317 CG1 VAL A 21 -15.339 -12.099 4.024 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.812 -10.378 5.085 1.00 0.00 C ATOM 0 H VAL A 21 -16.945 -8.624 2.304 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.544 -9.558 3.751 1.00 0.00 H new ATOM 0 HB VAL A 21 -17.020 -11.150 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.934 -12.873 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.962 -12.474 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.500 -11.830 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -17.382 -11.183 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -16.016 -10.062 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.473 -9.535 4.884 1.00 0.00 H new ATOM 328 N PRO A 22 -13.627 -10.088 1.483 1.00 0.00 N ATOM 329 CA PRO A 22 -12.975 -10.262 0.181 1.00 0.00 C ATOM 330 C PRO A 22 -12.954 -11.688 -0.351 1.00 0.00 C ATOM 331 O PRO A 22 -13.394 -12.635 0.299 1.00 0.00 O ATOM 332 CB PRO A 22 -11.542 -9.827 0.436 1.00 0.00 C ATOM 333 CG PRO A 22 -11.362 -9.825 1.905 1.00 0.00 C ATOM 334 CD PRO A 22 -12.680 -9.757 2.536 1.00 0.00 C ATOM 0 HA PRO A 22 -13.522 -9.695 -0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.838 -10.509 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.357 -8.836 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.836 -10.725 2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.752 -8.975 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.755 -10.458 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.872 -8.763 2.940 1.00 0.00 H new ATOM 342 N ARG A 23 -12.405 -11.805 -1.553 1.00 0.00 N ATOM 343 CA ARG A 23 -12.174 -13.074 -2.206 1.00 0.00 C ATOM 344 C ARG A 23 -10.670 -13.280 -2.291 1.00 0.00 C ATOM 345 O ARG A 23 -10.090 -13.453 -3.363 1.00 0.00 O ATOM 346 CB ARG A 23 -12.851 -13.124 -3.570 1.00 0.00 C ATOM 347 CG ARG A 23 -14.359 -13.269 -3.492 1.00 0.00 C ATOM 348 CD ARG A 23 -15.059 -12.361 -4.470 1.00 0.00 C ATOM 349 NE ARG A 23 -16.514 -12.476 -4.383 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.340 -12.299 -5.415 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.857 -12.021 -6.619 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.649 -12.420 -5.247 1.00 0.00 N ATOM 0 H ARG A 23 -12.105 -11.002 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.616 -13.889 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.609 -12.215 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.443 -13.959 -4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.636 -14.304 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.694 -13.041 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.765 -11.329 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.737 -12.602 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.923 -12.706 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.850 -11.942 -6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.493 -11.887 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.026 -12.649 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.279 -12.284 -6.037 1.00 0.00 H new ATOM 366 N LEU A 24 -10.088 -13.092 -1.109 1.00 0.00 N ATOM 367 CA LEU A 24 -8.680 -13.348 -0.744 1.00 0.00 C ATOM 368 C LEU A 24 -7.773 -13.906 -1.861 1.00 0.00 C ATOM 369 O LEU A 24 -6.763 -13.268 -2.148 1.00 0.00 O ATOM 370 CB LEU A 24 -8.645 -14.257 0.499 1.00 0.00 C ATOM 371 CG LEU A 24 -7.535 -13.979 1.520 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.159 -14.139 0.899 1.00 0.00 C ATOM 373 CD2 LEU A 24 -7.693 -12.593 2.121 1.00 0.00 C ATOM 0 H LEU A 24 -10.619 -12.730 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.248 -12.369 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.605 -14.175 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.549 -15.290 0.164 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.627 -14.715 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.395 -13.935 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.042 -15.158 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.050 -13.439 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.895 -12.416 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.639 -11.845 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.658 -12.522 2.622 1.00 0.00 H new ATOM 385 N PRO A 25 -8.049 -15.099 -2.466 1.00 0.00 N ATOM 386 CA PRO A 25 -7.267 -15.626 -3.585 1.00 0.00 C ATOM 387 C PRO A 25 -6.736 -14.554 -4.548 1.00 0.00 C ATOM 388 O PRO A 25 -5.628 -14.665 -5.077 1.00 0.00 O ATOM 389 CB PRO A 25 -8.260 -16.526 -4.291 1.00 0.00 C ATOM 390 CG PRO A 25 -9.075 -17.102 -3.190 1.00 0.00 C ATOM 391 CD PRO A 25 -9.099 -16.065 -2.090 1.00 0.00 C ATOM 0 HA PRO A 25 -6.363 -16.123 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.878 -15.965 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.755 -17.305 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.085 -17.329 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.641 -18.036 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.074 -15.583 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.895 -16.514 -1.118 1.00 0.00 H new ATOM 399 N ASP A 26 -7.538 -13.520 -4.766 1.00 0.00 N ATOM 400 CA ASP A 26 -7.161 -12.408 -5.628 1.00 0.00 C ATOM 401 C ASP A 26 -6.920 -11.129 -4.828 1.00 0.00 C ATOM 402 O ASP A 26 -6.222 -10.219 -5.276 1.00 0.00 O ATOM 403 CB ASP A 26 -8.282 -12.138 -6.600 1.00 0.00 C ATOM 404 CG ASP A 26 -7.932 -12.447 -8.040 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.345 -11.579 -8.713 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.274 -13.553 -8.514 1.00 0.00 O ATOM 0 H ASP A 26 -8.466 -13.429 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.240 -12.684 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.150 -12.731 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.572 -11.090 -6.523 1.00 0.00 H new ATOM 411 N TYR A 27 -7.525 -11.087 -3.642 1.00 0.00 N ATOM 412 CA TYR A 27 -7.636 -9.877 -2.826 1.00 0.00 C ATOM 413 C TYR A 27 -8.514 -8.873 -3.526 1.00 0.00 C ATOM 414 O TYR A 27 -8.171 -7.704 -3.692 1.00 0.00 O ATOM 415 CB TYR A 27 -6.293 -9.260 -2.474 1.00 0.00 C ATOM 416 CG TYR A 27 -5.538 -10.040 -1.433 1.00 0.00 C ATOM 417 CD1 TYR A 27 -5.877 -9.927 -0.097 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.488 -10.871 -1.779 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.192 -10.622 0.874 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.794 -11.577 -0.815 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.147 -11.447 0.512 1.00 0.00 C ATOM 422 OH TYR A 27 -3.454 -12.141 1.478 1.00 0.00 O ATOM 0 H TYR A 27 -7.959 -11.905 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.088 -10.172 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.686 -9.188 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.451 -8.243 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.694 -9.282 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.207 -10.969 -2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.471 -10.522 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.980 -12.227 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.750 -12.676 1.055 1.00 0.00 H new ATOM 432 N ILE A 28 -9.646 -9.377 -3.944 1.00 0.00 N ATOM 433 CA ILE A 28 -10.692 -8.580 -4.538 1.00 0.00 C ATOM 434 C ILE A 28 -11.743 -8.250 -3.504 1.00 0.00 C ATOM 435 O ILE A 28 -11.857 -8.915 -2.475 1.00 0.00 O ATOM 436 CB ILE A 28 -11.380 -9.338 -5.683 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.201 -10.832 -5.457 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.812 -8.907 -7.020 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.116 -11.706 -6.275 1.00 0.00 C ATOM 0 H ILE A 28 -9.872 -10.370 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.232 -7.670 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.445 -9.107 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.168 -11.099 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.363 -11.048 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.311 -9.454 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.973 -7.838 -7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.743 -9.119 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.917 -12.753 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.153 -11.473 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.940 -11.525 -7.335 1.00 0.00 H new ATOM 451 N CYS A 29 -12.527 -7.257 -3.816 1.00 0.00 N ATOM 452 CA CYS A 29 -13.642 -6.858 -2.997 1.00 0.00 C ATOM 453 C CYS A 29 -14.894 -7.494 -3.587 1.00 0.00 C ATOM 454 O CYS A 29 -14.985 -7.681 -4.788 1.00 0.00 O ATOM 455 CB CYS A 29 -13.695 -5.326 -3.021 1.00 0.00 C ATOM 456 SG CYS A 29 -15.257 -4.549 -2.555 1.00 0.00 S ATOM 0 H CYS A 29 -12.410 -6.693 -4.658 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.554 -7.183 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.918 -4.950 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.439 -4.994 -4.027 1.00 0.00 H new ATOM 461 N PRO A 30 -15.863 -7.851 -2.755 1.00 0.00 N ATOM 462 CA PRO A 30 -17.054 -8.562 -3.189 1.00 0.00 C ATOM 463 C PRO A 30 -18.010 -7.564 -3.769 1.00 0.00 C ATOM 464 O PRO A 30 -18.885 -7.875 -4.572 1.00 0.00 O ATOM 465 CB PRO A 30 -17.596 -9.127 -1.877 1.00 0.00 C ATOM 466 CG PRO A 30 -17.240 -8.079 -0.877 1.00 0.00 C ATOM 467 CD PRO A 30 -15.922 -7.520 -1.337 1.00 0.00 C ATOM 0 HA PRO A 30 -16.885 -9.331 -3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.673 -9.289 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.140 -10.086 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.003 -7.302 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.159 -8.502 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.870 -6.443 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.090 -7.964 -0.790 1.00 0.00 H new ATOM 475 N ARG A 31 -17.798 -6.340 -3.332 1.00 0.00 N ATOM 476 CA ARG A 31 -18.648 -5.241 -3.717 1.00 0.00 C ATOM 477 C ARG A 31 -18.309 -4.650 -5.083 1.00 0.00 C ATOM 478 O ARG A 31 -19.190 -4.143 -5.773 1.00 0.00 O ATOM 479 CB ARG A 31 -18.639 -4.207 -2.654 1.00 0.00 C ATOM 480 CG ARG A 31 -19.282 -4.763 -1.429 1.00 0.00 C ATOM 481 CD ARG A 31 -19.380 -3.754 -0.304 1.00 0.00 C ATOM 482 NE ARG A 31 -19.930 -4.350 0.912 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.154 -4.108 1.381 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.978 -3.288 0.736 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.558 -4.692 2.498 1.00 0.00 N ATOM 0 H ARG A 31 -17.036 -6.083 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.657 -5.638 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.616 -3.900 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.173 -3.318 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.282 -5.119 -1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.713 -5.627 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.391 -3.346 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.009 -2.920 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.338 -4.994 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.676 -2.837 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.912 -3.110 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.933 -5.325 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.494 -4.509 2.860 1.00 0.00 H new ATOM 499 N CYS A 32 -17.038 -4.710 -5.483 1.00 0.00 N ATOM 500 CA CYS A 32 -16.642 -4.147 -6.776 1.00 0.00 C ATOM 501 C CYS A 32 -15.595 -5.002 -7.488 1.00 0.00 C ATOM 502 O CYS A 32 -15.243 -4.728 -8.635 1.00 0.00 O ATOM 503 CB CYS A 32 -16.111 -2.718 -6.613 1.00 0.00 C ATOM 504 SG CYS A 32 -14.607 -2.591 -5.617 1.00 0.00 S ATOM 0 H CYS A 32 -16.281 -5.132 -4.946 1.00 0.00 H new ATOM 0 HA CYS A 32 -17.540 -4.133 -7.393 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -15.915 -2.301 -7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.888 -2.104 -6.157 1.00 0.00 H new ATOM 509 N GLU A 33 -15.087 -6.030 -6.800 1.00 0.00 N ATOM 510 CA GLU A 33 -14.066 -6.916 -7.361 1.00 0.00 C ATOM 511 C GLU A 33 -12.807 -6.137 -7.744 1.00 0.00 C ATOM 512 O GLU A 33 -12.066 -6.517 -8.646 1.00 0.00 O ATOM 513 CB GLU A 33 -14.614 -7.694 -8.554 1.00 0.00 C ATOM 514 CG GLU A 33 -13.854 -8.979 -8.811 1.00 0.00 C ATOM 515 CD GLU A 33 -14.253 -9.648 -10.104 1.00 0.00 C ATOM 516 OE1 GLU A 33 -13.730 -9.260 -11.168 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.097 -10.565 -10.062 1.00 0.00 O ATOM 0 H GLU A 33 -15.369 -6.268 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.789 -7.635 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.665 -7.926 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.570 -7.066 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.785 -8.765 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.024 -9.668 -7.984 1.00 0.00 H new ATOM 524 N SER A 34 -12.584 -5.032 -7.055 1.00 0.00 N ATOM 525 CA SER A 34 -11.346 -4.295 -7.180 1.00 0.00 C ATOM 526 C SER A 34 -10.515 -4.487 -5.920 1.00 0.00 C ATOM 527 O SER A 34 -11.064 -4.558 -4.818 1.00 0.00 O ATOM 528 CB SER A 34 -11.629 -2.843 -7.426 1.00 0.00 C ATOM 529 OG SER A 34 -12.496 -2.674 -8.535 1.00 0.00 O ATOM 0 H SER A 34 -13.251 -4.626 -6.399 1.00 0.00 H new ATOM 0 HA SER A 34 -10.780 -4.672 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.080 -2.401 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.694 -2.312 -7.607 1.00 0.00 H new ATOM 0 HG SER A 34 -12.667 -1.719 -8.674 1.00 0.00 H new ATOM 535 N GLY A 35 -9.204 -4.580 -6.080 1.00 0.00 N ATOM 536 CA GLY A 35 -8.340 -4.921 -4.966 1.00 0.00 C ATOM 537 C GLY A 35 -7.967 -3.738 -4.088 1.00 0.00 C ATOM 538 O GLY A 35 -6.872 -3.700 -3.529 1.00 0.00 O ATOM 0 H GLY A 35 -8.720 -4.425 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.835 -5.674 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.428 -5.375 -5.353 1.00 0.00 H new ATOM 542 N PHE A 36 -8.873 -2.783 -3.946 1.00 0.00 N ATOM 543 CA PHE A 36 -8.635 -1.621 -3.094 1.00 0.00 C ATOM 544 C PHE A 36 -9.099 -1.900 -1.676 1.00 0.00 C ATOM 545 O PHE A 36 -9.756 -1.069 -1.046 1.00 0.00 O ATOM 546 CB PHE A 36 -9.340 -0.384 -3.650 1.00 0.00 C ATOM 547 CG PHE A 36 -8.636 0.210 -4.832 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.713 -0.389 -6.077 1.00 0.00 C ATOM 549 CD2 PHE A 36 -7.883 1.362 -4.688 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.050 0.153 -7.160 1.00 0.00 C ATOM 551 CE2 PHE A 36 -7.218 1.906 -5.765 1.00 0.00 C ATOM 552 CZ PHE A 36 -7.300 1.303 -7.001 1.00 0.00 C ATOM 0 H PHE A 36 -9.782 -2.787 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.563 -1.425 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.357 -0.651 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.417 0.368 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.297 -1.289 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.816 1.839 -3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.117 -0.320 -8.128 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.633 2.805 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.778 1.729 -7.845 1.00 0.00 H new ATOM 562 N ILE A 37 -8.747 -3.075 -1.188 1.00 0.00 N ATOM 563 CA ILE A 37 -9.157 -3.514 0.128 1.00 0.00 C ATOM 564 C ILE A 37 -7.977 -3.606 1.066 1.00 0.00 C ATOM 565 O ILE A 37 -6.952 -4.190 0.727 1.00 0.00 O ATOM 566 CB ILE A 37 -9.820 -4.892 0.085 1.00 0.00 C ATOM 567 CG1 ILE A 37 -8.990 -5.906 -0.709 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.186 -4.772 -0.490 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.635 -7.276 -0.813 1.00 0.00 C ATOM 0 H ILE A 37 -8.171 -3.748 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.870 -2.771 0.486 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.886 -5.265 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.821 -5.517 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.012 -6.009 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.656 -5.755 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.784 -4.102 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.121 -4.370 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.989 -7.939 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.779 -7.687 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.600 -7.187 -1.311 1.00 0.00 H new ATOM 581 N GLU A 38 -8.136 -3.053 2.248 1.00 0.00 N ATOM 582 CA GLU A 38 -7.134 -3.164 3.288 1.00 0.00 C ATOM 583 C GLU A 38 -7.765 -3.852 4.491 1.00 0.00 C ATOM 584 O GLU A 38 -8.917 -3.578 4.844 1.00 0.00 O ATOM 585 CB GLU A 38 -6.585 -1.773 3.649 1.00 0.00 C ATOM 586 CG GLU A 38 -7.591 -0.872 4.347 1.00 0.00 C ATOM 587 CD GLU A 38 -6.965 0.333 5.014 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.603 0.234 6.205 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.875 1.397 4.371 1.00 0.00 O ATOM 0 H GLU A 38 -8.960 -2.515 2.516 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.290 -3.760 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.713 -1.894 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.243 -1.281 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.328 -0.532 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.128 -1.453 5.096 1.00 0.00 H new ATOM 596 N GLU A 39 -7.040 -4.786 5.080 1.00 0.00 N ATOM 597 CA GLU A 39 -7.553 -5.534 6.211 1.00 0.00 C ATOM 598 C GLU A 39 -7.491 -4.687 7.467 1.00 0.00 C ATOM 599 O GLU A 39 -6.507 -3.993 7.714 1.00 0.00 O ATOM 600 CB GLU A 39 -6.763 -6.823 6.396 1.00 0.00 C ATOM 601 CG GLU A 39 -7.273 -7.688 7.516 1.00 0.00 C ATOM 602 CD GLU A 39 -6.411 -8.904 7.768 1.00 0.00 C ATOM 603 OE1 GLU A 39 -6.200 -9.696 6.826 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.935 -9.075 8.909 1.00 0.00 O ATOM 0 H GLU A 39 -6.096 -5.044 4.794 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.594 -5.794 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.791 -7.393 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.719 -6.575 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.329 -7.094 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.288 -8.011 7.284 1.00 0.00 H new ATOM 611 N LEU A 40 -8.549 -4.754 8.249 1.00 0.00 N ATOM 612 CA LEU A 40 -8.715 -3.893 9.402 1.00 0.00 C ATOM 613 C LEU A 40 -8.250 -4.603 10.664 1.00 0.00 C ATOM 614 O LEU A 40 -8.961 -5.522 11.124 1.00 0.00 O ATOM 615 CB LEU A 40 -10.186 -3.501 9.510 1.00 0.00 C ATOM 616 CG LEU A 40 -10.844 -3.190 8.164 1.00 0.00 C ATOM 617 CD1 LEU A 40 -12.343 -3.071 8.312 1.00 0.00 C ATOM 618 CD2 LEU A 40 -10.273 -1.921 7.557 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.172 -4.247 11.184 1.00 0.00 O ATOM 0 H LEU A 40 -9.319 -5.407 8.103 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.108 -2.995 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.733 -4.311 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.273 -2.628 10.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.627 -4.019 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.788 -2.850 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.747 -4.010 8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.577 -2.267 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.759 -1.724 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.449 -1.084 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.201 -2.043 7.401 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 33.962 -7.187 -20.580 1.00 0.00 N ATOM 633 CA MET C 2 34.390 -7.731 -19.272 1.00 0.00 C ATOM 634 C MET C 2 33.284 -7.536 -18.248 1.00 0.00 C ATOM 635 O MET C 2 32.484 -6.607 -18.360 1.00 0.00 O ATOM 636 CB MET C 2 35.675 -7.043 -18.799 1.00 0.00 C ATOM 637 CG MET C 2 36.852 -7.240 -19.738 1.00 0.00 C ATOM 638 SD MET C 2 38.335 -6.373 -19.190 1.00 0.00 S ATOM 639 CE MET C 2 39.461 -6.766 -20.526 1.00 0.00 C ATOM 0 HA MET C 2 34.591 -8.796 -19.383 1.00 0.00 H new ATOM 0 HB2 MET C 2 35.485 -5.976 -18.687 1.00 0.00 H new ATOM 0 HB3 MET C 2 35.940 -7.425 -17.813 1.00 0.00 H new ATOM 0 HG2 MET C 2 37.069 -8.305 -19.822 1.00 0.00 H new ATOM 0 HG3 MET C 2 36.579 -6.890 -20.734 1.00 0.00 H new ATOM 0 HE1 MET C 2 40.428 -6.301 -20.335 1.00 0.00 H new ATOM 0 HE2 MET C 2 39.585 -7.847 -20.591 1.00 0.00 H new ATOM 0 HE3 MET C 2 39.056 -6.390 -21.466 1.00 0.00 H new ATOM 651 N ALA C 3 33.225 -8.417 -17.263 1.00 0.00 N ATOM 652 CA ALA C 3 32.196 -8.343 -16.240 1.00 0.00 C ATOM 653 C ALA C 3 32.677 -7.530 -15.047 1.00 0.00 C ATOM 654 O ALA C 3 33.884 -7.408 -14.823 1.00 0.00 O ATOM 655 CB ALA C 3 31.780 -9.739 -15.801 1.00 0.00 C ATOM 0 H ALA C 3 33.878 -9.192 -17.150 1.00 0.00 H new ATOM 0 HA ALA C 3 31.328 -7.841 -16.666 1.00 0.00 H new ATOM 0 HB1 ALA C 3 31.009 -9.665 -15.034 1.00 0.00 H new ATOM 0 HB2 ALA C 3 31.389 -10.288 -16.657 1.00 0.00 H new ATOM 0 HB3 ALA C 3 32.644 -10.266 -15.396 1.00 0.00 H new ATOM 661 N HIS C 4 31.741 -6.967 -14.295 1.00 0.00 N ATOM 662 CA HIS C 4 32.078 -6.181 -13.112 1.00 0.00 C ATOM 663 C HIS C 4 32.788 -7.058 -12.091 1.00 0.00 C ATOM 664 O HIS C 4 33.866 -6.723 -11.603 1.00 0.00 O ATOM 665 CB HIS C 4 30.819 -5.576 -12.482 1.00 0.00 C ATOM 666 CG HIS C 4 30.072 -4.643 -13.384 1.00 0.00 C ATOM 667 ND1 HIS C 4 28.859 -4.959 -13.957 1.00 0.00 N ATOM 668 CD2 HIS C 4 30.375 -3.398 -13.815 1.00 0.00 C ATOM 669 CE1 HIS C 4 28.449 -3.948 -14.698 1.00 0.00 C ATOM 670 NE2 HIS C 4 29.350 -2.988 -14.630 1.00 0.00 N ATOM 0 H HIS C 4 30.741 -7.039 -14.482 1.00 0.00 H new ATOM 0 HA HIS C 4 32.738 -5.370 -13.418 1.00 0.00 H new ATOM 0 HB2 HIS C 4 30.152 -6.384 -12.180 1.00 0.00 H new ATOM 0 HB3 HIS C 4 31.101 -5.040 -11.576 1.00 0.00 H new ATOM 0 HD2 HIS C 4 31.260 -2.831 -13.564 1.00 0.00 H new ATOM 0 HE1 HIS C 4 27.530 -3.913 -15.265 1.00 0.00 H new ATOM 0 HE2 HIS C 4 29.294 -2.087 -15.106 1.00 0.00 H new ATOM 679 N HIS C 5 32.171 -8.189 -11.788 1.00 0.00 N ATOM 680 CA HIS C 5 32.750 -9.170 -10.883 1.00 0.00 C ATOM 681 C HIS C 5 32.994 -10.467 -11.637 1.00 0.00 C ATOM 682 O HIS C 5 32.458 -10.661 -12.728 1.00 0.00 O ATOM 683 CB HIS C 5 31.816 -9.423 -9.695 1.00 0.00 C ATOM 684 CG HIS C 5 31.736 -8.280 -8.731 1.00 0.00 C ATOM 685 ND1 HIS C 5 30.729 -7.339 -8.759 1.00 0.00 N ATOM 686 CD2 HIS C 5 32.542 -7.933 -7.701 1.00 0.00 C ATOM 687 CE1 HIS C 5 30.922 -6.464 -7.792 1.00 0.00 C ATOM 688 NE2 HIS C 5 32.013 -6.803 -7.135 1.00 0.00 N ATOM 0 H HIS C 5 31.259 -8.452 -12.160 1.00 0.00 H new ATOM 0 HA HIS C 5 33.696 -8.786 -10.500 1.00 0.00 H new ATOM 0 HB2 HIS C 5 30.816 -9.639 -10.071 1.00 0.00 H new ATOM 0 HB3 HIS C 5 32.155 -10.312 -9.162 1.00 0.00 H new ATOM 0 HD2 HIS C 5 33.436 -8.450 -7.384 1.00 0.00 H new ATOM 0 HE1 HIS C 5 30.293 -5.614 -7.575 1.00 0.00 H new ATOM 0 HE2 HIS C 5 32.401 -6.304 -6.334 1.00 0.00 H new ATOM 697 N HIS C 6 33.794 -11.352 -11.057 1.00 0.00 N ATOM 698 CA HIS C 6 34.122 -12.627 -11.688 1.00 0.00 C ATOM 699 C HIS C 6 32.944 -13.592 -11.585 1.00 0.00 C ATOM 700 O HIS C 6 32.986 -14.577 -10.846 1.00 0.00 O ATOM 701 CB HIS C 6 35.378 -13.231 -11.046 1.00 0.00 C ATOM 702 CG HIS C 6 35.899 -14.457 -11.741 1.00 0.00 C ATOM 703 ND1 HIS C 6 36.741 -14.406 -12.831 1.00 0.00 N ATOM 704 CD2 HIS C 6 35.706 -15.774 -11.485 1.00 0.00 C ATOM 705 CE1 HIS C 6 37.042 -15.630 -13.213 1.00 0.00 C ATOM 706 NE2 HIS C 6 36.428 -16.478 -12.412 1.00 0.00 N ATOM 0 H HIS C 6 34.230 -11.211 -10.146 1.00 0.00 H new ATOM 0 HA HIS C 6 34.327 -12.452 -12.744 1.00 0.00 H new ATOM 0 HB2 HIS C 6 36.163 -12.475 -11.030 1.00 0.00 H new ATOM 0 HB3 HIS C 6 35.157 -13.482 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS C 6 35.096 -16.191 -10.697 1.00 0.00 H new ATOM 0 HE1 HIS C 6 37.683 -15.894 -14.041 1.00 0.00 H new ATOM 0 HE2 HIS C 6 36.482 -17.495 -12.473 1.00 0.00 H new ATOM 715 N HIS C 7 31.882 -13.280 -12.311 1.00 0.00 N ATOM 716 CA HIS C 7 30.696 -14.120 -12.361 1.00 0.00 C ATOM 717 C HIS C 7 30.087 -14.061 -13.757 1.00 0.00 C ATOM 718 O HIS C 7 29.445 -13.074 -14.120 1.00 0.00 O ATOM 719 CB HIS C 7 29.654 -13.679 -11.320 1.00 0.00 C ATOM 720 CG HIS C 7 30.092 -13.848 -9.893 1.00 0.00 C ATOM 721 ND1 HIS C 7 29.920 -15.016 -9.185 1.00 0.00 N ATOM 722 CD2 HIS C 7 30.702 -12.986 -9.044 1.00 0.00 C ATOM 723 CE1 HIS C 7 30.405 -14.868 -7.968 1.00 0.00 C ATOM 724 NE2 HIS C 7 30.885 -13.646 -7.856 1.00 0.00 N ATOM 0 H HIS C 7 31.818 -12.437 -12.882 1.00 0.00 H new ATOM 0 HA HIS C 7 30.992 -15.143 -12.129 1.00 0.00 H new ATOM 0 HB2 HIS C 7 29.409 -12.631 -11.490 1.00 0.00 H new ATOM 0 HB3 HIS C 7 28.738 -14.249 -11.476 1.00 0.00 H new ATOM 0 HD2 HIS C 7 30.990 -11.968 -9.262 1.00 0.00 H new ATOM 0 HE1 HIS C 7 30.408 -15.621 -7.194 1.00 0.00 H new ATOM 0 HE2 HIS C 7 31.322 -13.255 -7.021 1.00 0.00 H new ATOM 733 N HIS C 8 30.300 -15.109 -14.546 1.00 0.00 N ATOM 734 CA HIS C 8 29.768 -15.150 -15.907 1.00 0.00 C ATOM 735 C HIS C 8 28.299 -15.572 -15.912 1.00 0.00 C ATOM 736 O HIS C 8 27.670 -15.660 -16.964 1.00 0.00 O ATOM 737 CB HIS C 8 30.609 -16.056 -16.828 1.00 0.00 C ATOM 738 CG HIS C 8 30.715 -17.493 -16.405 1.00 0.00 C ATOM 739 ND1 HIS C 8 29.889 -18.484 -16.884 1.00 0.00 N ATOM 740 CD2 HIS C 8 31.586 -18.108 -15.573 1.00 0.00 C ATOM 741 CE1 HIS C 8 30.249 -19.644 -16.368 1.00 0.00 C ATOM 742 NE2 HIS C 8 31.276 -19.444 -15.568 1.00 0.00 N ATOM 0 H HIS C 8 30.832 -15.935 -14.272 1.00 0.00 H new ATOM 0 HA HIS C 8 29.831 -14.138 -16.307 1.00 0.00 H new ATOM 0 HB2 HIS C 8 30.182 -16.022 -17.830 1.00 0.00 H new ATOM 0 HB3 HIS C 8 31.615 -15.641 -16.896 1.00 0.00 H new ATOM 0 HD2 HIS C 8 32.380 -17.634 -15.015 1.00 0.00 H new ATOM 0 HE1 HIS C 8 29.781 -20.596 -16.568 1.00 0.00 H new ATOM 0 HE2 HIS C 8 31.761 -20.164 -15.033 1.00 0.00 H new ATOM 751 N HIS C 9 27.761 -15.837 -14.728 1.00 0.00 N ATOM 752 CA HIS C 9 26.328 -16.040 -14.566 1.00 0.00 C ATOM 753 C HIS C 9 25.875 -15.321 -13.301 1.00 0.00 C ATOM 754 O HIS C 9 26.487 -15.479 -12.242 1.00 0.00 O ATOM 755 CB HIS C 9 25.966 -17.542 -14.525 1.00 0.00 C ATOM 756 CG HIS C 9 26.267 -18.248 -13.232 1.00 0.00 C ATOM 757 ND1 HIS C 9 27.500 -18.784 -12.928 1.00 0.00 N ATOM 758 CD2 HIS C 9 25.473 -18.516 -12.167 1.00 0.00 C ATOM 759 CE1 HIS C 9 27.449 -19.349 -11.736 1.00 0.00 C ATOM 760 NE2 HIS C 9 26.232 -19.199 -11.254 1.00 0.00 N ATOM 0 H HIS C 9 28.298 -15.916 -13.864 1.00 0.00 H new ATOM 0 HA HIS C 9 25.805 -15.623 -15.427 1.00 0.00 H new ATOM 0 HB2 HIS C 9 24.902 -17.647 -14.736 1.00 0.00 H new ATOM 0 HB3 HIS C 9 26.502 -18.048 -15.328 1.00 0.00 H new ATOM 0 HD2 HIS C 9 24.434 -18.242 -12.058 1.00 0.00 H new ATOM 0 HE1 HIS C 9 28.267 -19.850 -11.240 1.00 0.00 H new ATOM 0 HE2 HIS C 9 25.908 -19.537 -10.348 1.00 0.00 H new ATOM 769 N VAL C 10 24.838 -14.502 -13.414 1.00 0.00 N ATOM 770 CA VAL C 10 24.391 -13.689 -12.289 1.00 0.00 C ATOM 771 C VAL C 10 22.870 -13.651 -12.196 1.00 0.00 C ATOM 772 O VAL C 10 22.169 -13.764 -13.203 1.00 0.00 O ATOM 773 CB VAL C 10 24.915 -12.234 -12.373 1.00 0.00 C ATOM 774 CG1 VAL C 10 26.434 -12.189 -12.309 1.00 0.00 C ATOM 775 CG2 VAL C 10 24.416 -11.552 -13.638 1.00 0.00 C ATOM 0 H VAL C 10 24.293 -14.383 -14.268 1.00 0.00 H new ATOM 0 HA VAL C 10 24.802 -14.163 -11.398 1.00 0.00 H new ATOM 0 HB VAL C 10 24.525 -11.693 -11.511 1.00 0.00 H new ATOM 0 HG11 VAL C 10 26.770 -11.154 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL C 10 26.772 -12.625 -11.369 1.00 0.00 H new ATOM 0 HG13 VAL C 10 26.850 -12.756 -13.142 1.00 0.00 H new ATOM 0 HG21 VAL C 10 24.797 -10.531 -13.675 1.00 0.00 H new ATOM 0 HG22 VAL C 10 24.767 -12.102 -14.511 1.00 0.00 H new ATOM 0 HG23 VAL C 10 23.326 -11.533 -13.635 1.00 0.00 H new ATOM 785 N ASP C 11 22.384 -13.501 -10.975 1.00 0.00 N ATOM 786 CA ASP C 11 20.958 -13.341 -10.705 1.00 0.00 C ATOM 787 C ASP C 11 20.808 -12.360 -9.553 1.00 0.00 C ATOM 788 O ASP C 11 19.761 -12.245 -8.921 1.00 0.00 O ATOM 789 CB ASP C 11 20.323 -14.692 -10.342 1.00 0.00 C ATOM 790 CG ASP C 11 18.805 -14.649 -10.333 1.00 0.00 C ATOM 791 OD1 ASP C 11 18.205 -14.682 -11.427 1.00 0.00 O ATOM 792 OD2 ASP C 11 18.204 -14.602 -9.237 1.00 0.00 O ATOM 0 H ASP C 11 22.966 -13.486 -10.138 1.00 0.00 H new ATOM 0 HA ASP C 11 20.449 -12.964 -11.592 1.00 0.00 H new ATOM 0 HB2 ASP C 11 20.656 -15.447 -11.054 1.00 0.00 H new ATOM 0 HB3 ASP C 11 20.678 -15.002 -9.359 1.00 0.00 H new ATOM 797 N ASP C 12 21.884 -11.626 -9.314 1.00 0.00 N ATOM 798 CA ASP C 12 22.016 -10.783 -8.136 1.00 0.00 C ATOM 799 C ASP C 12 21.360 -9.423 -8.342 1.00 0.00 C ATOM 800 O ASP C 12 21.926 -8.388 -7.987 1.00 0.00 O ATOM 801 CB ASP C 12 23.498 -10.611 -7.793 1.00 0.00 C ATOM 802 CG ASP C 12 24.185 -11.935 -7.520 1.00 0.00 C ATOM 803 OD1 ASP C 12 24.511 -12.659 -8.490 1.00 0.00 O ATOM 804 OD2 ASP C 12 24.403 -12.261 -6.335 1.00 0.00 O ATOM 0 H ASP C 12 22.693 -11.598 -9.934 1.00 0.00 H new ATOM 0 HA ASP C 12 21.503 -11.271 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP C 12 24.003 -10.106 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP C 12 23.594 -9.968 -6.918 1.00 0.00 H new ATOM 809 N ASP C 13 20.166 -9.430 -8.911 1.00 0.00 N ATOM 810 CA ASP C 13 19.406 -8.207 -9.116 1.00 0.00 C ATOM 811 C ASP C 13 18.085 -8.300 -8.364 1.00 0.00 C ATOM 812 O ASP C 13 17.017 -8.437 -8.961 1.00 0.00 O ATOM 813 CB ASP C 13 19.163 -7.960 -10.609 1.00 0.00 C ATOM 814 CG ASP C 13 18.599 -6.578 -10.886 1.00 0.00 C ATOM 815 OD1 ASP C 13 19.370 -5.594 -10.821 1.00 0.00 O ATOM 816 OD2 ASP C 13 17.388 -6.465 -11.170 1.00 0.00 O ATOM 0 H ASP C 13 19.699 -10.275 -9.241 1.00 0.00 H new ATOM 0 HA ASP C 13 19.979 -7.364 -8.730 1.00 0.00 H new ATOM 0 HB2 ASP C 13 20.101 -8.081 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP C 13 18.474 -8.713 -10.991 1.00 0.00 H new ATOM 821 N ASP C 14 18.177 -8.264 -7.043 1.00 0.00 N ATOM 822 CA ASP C 14 17.012 -8.374 -6.180 1.00 0.00 C ATOM 823 C ASP C 14 16.403 -7.004 -5.913 1.00 0.00 C ATOM 824 O ASP C 14 15.183 -6.826 -5.977 1.00 0.00 O ATOM 825 CB ASP C 14 17.426 -9.031 -4.867 1.00 0.00 C ATOM 826 CG ASP C 14 16.325 -9.017 -3.825 1.00 0.00 C ATOM 827 OD1 ASP C 14 15.449 -9.906 -3.864 1.00 0.00 O ATOM 828 OD2 ASP C 14 16.332 -8.119 -2.957 1.00 0.00 O ATOM 0 H ASP C 14 19.059 -8.158 -6.541 1.00 0.00 H new ATOM 0 HA ASP C 14 16.258 -8.985 -6.676 1.00 0.00 H new ATOM 0 HB2 ASP C 14 17.722 -10.062 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP C 14 18.301 -8.517 -4.470 1.00 0.00 H new ATOM 833 N LYS C 15 17.261 -6.041 -5.596 1.00 0.00 N ATOM 834 CA LYS C 15 16.836 -4.676 -5.360 1.00 0.00 C ATOM 835 C LYS C 15 16.314 -4.024 -6.636 1.00 0.00 C ATOM 836 O LYS C 15 16.335 -4.630 -7.710 1.00 0.00 O ATOM 837 CB LYS C 15 17.999 -3.872 -4.809 1.00 0.00 C ATOM 838 CG LYS C 15 18.561 -4.491 -3.556 1.00 0.00 C ATOM 839 CD LYS C 15 19.849 -3.809 -3.123 1.00 0.00 C ATOM 840 CE LYS C 15 20.411 -4.417 -1.848 1.00 0.00 C ATOM 841 NZ LYS C 15 19.576 -4.106 -0.657 1.00 0.00 N ATOM 0 H LYS C 15 18.265 -6.189 -5.497 1.00 0.00 H new ATOM 0 HA LYS C 15 16.021 -4.693 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS C 15 18.783 -3.802 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS C 15 17.670 -2.855 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS C 15 17.825 -4.423 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS C 15 18.750 -5.551 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS C 15 20.588 -3.889 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS C 15 19.663 -2.746 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS C 15 20.484 -5.498 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS C 15 21.423 -4.045 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 20.043 -4.469 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 19.457 -3.076 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 18.644 -4.555 -0.760 1.00 0.00 H new ATOM 855 N MET C 16 15.879 -2.775 -6.500 1.00 0.00 N ATOM 856 CA MET C 16 15.333 -1.996 -7.608 1.00 0.00 C ATOM 857 C MET C 16 14.031 -2.600 -8.115 1.00 0.00 C ATOM 858 O MET C 16 14.026 -3.461 -8.996 1.00 0.00 O ATOM 859 CB MET C 16 16.338 -1.870 -8.757 1.00 0.00 C ATOM 860 CG MET C 16 15.845 -0.979 -9.886 1.00 0.00 C ATOM 861 SD MET C 16 16.950 -0.978 -11.309 1.00 0.00 S ATOM 862 CE MET C 16 18.465 -0.396 -10.556 1.00 0.00 C ATOM 0 H MET C 16 15.895 -2.271 -5.613 1.00 0.00 H new ATOM 0 HA MET C 16 15.127 -0.996 -7.225 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.275 -1.470 -8.370 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.554 -2.862 -9.153 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.856 -1.312 -10.200 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.735 0.041 -9.516 1.00 0.00 H new ATOM 0 HE1 MET C 16 19.156 -0.071 -11.334 1.00 0.00 H new ATOM 0 HE2 MET C 16 18.244 0.441 -9.894 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.919 -1.203 -9.981 1.00 0.00 H new ATOM 872 N LEU C 17 12.922 -2.140 -7.559 1.00 0.00 N ATOM 873 CA LEU C 17 11.621 -2.603 -8.019 1.00 0.00 C ATOM 874 C LEU C 17 10.918 -1.505 -8.775 1.00 0.00 C ATOM 875 O LEU C 17 11.000 -0.328 -8.410 1.00 0.00 O ATOM 876 CB LEU C 17 10.710 -3.040 -6.880 1.00 0.00 C ATOM 877 CG LEU C 17 11.332 -3.196 -5.509 1.00 0.00 C ATOM 878 CD1 LEU C 17 10.296 -2.841 -4.459 1.00 0.00 C ATOM 879 CD2 LEU C 17 11.814 -4.622 -5.307 1.00 0.00 C ATOM 0 H LEU C 17 12.894 -1.458 -6.801 1.00 0.00 H new ATOM 0 HA LEU C 17 11.815 -3.465 -8.657 1.00 0.00 H new ATOM 0 HB2 LEU C 17 9.899 -2.316 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.260 -3.994 -7.156 1.00 0.00 H new ATOM 0 HG LEU C 17 12.191 -2.530 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU C 17 10.732 -2.950 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU C 17 9.971 -1.810 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU C 17 9.439 -3.508 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.259 -4.719 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU C 17 10.971 -5.307 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.559 -4.865 -6.065 1.00 0.00 H new ATOM 891 N GLU C 18 10.219 -1.892 -9.816 1.00 0.00 N ATOM 892 CA GLU C 18 9.374 -1.003 -10.519 1.00 0.00 C ATOM 893 C GLU C 18 8.047 -0.967 -9.821 1.00 0.00 C ATOM 894 O GLU C 18 7.186 -1.817 -10.029 1.00 0.00 O ATOM 895 CB GLU C 18 9.257 -1.471 -11.935 1.00 0.00 C ATOM 896 CG GLU C 18 10.448 -1.101 -12.801 1.00 0.00 C ATOM 897 CD GLU C 18 10.293 -1.550 -14.236 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.470 -2.755 -14.508 1.00 0.00 O ATOM 899 OE2 GLU C 18 10.006 -0.696 -15.098 1.00 0.00 O ATOM 0 H GLU C 18 10.232 -2.842 -10.188 1.00 0.00 H new ATOM 0 HA GLU C 18 9.777 0.010 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.137 -2.554 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.354 -1.048 -12.375 1.00 0.00 H new ATOM 0 HG2 GLU C 18 10.587 -0.020 -12.777 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.349 -1.548 -12.381 1.00 0.00 H new ATOM 906 N VAL C 19 7.908 0.003 -8.957 1.00 0.00 N ATOM 907 CA VAL C 19 6.756 0.086 -8.118 1.00 0.00 C ATOM 908 C VAL C 19 5.611 0.633 -8.927 1.00 0.00 C ATOM 909 O VAL C 19 5.651 1.761 -9.368 1.00 0.00 O ATOM 910 CB VAL C 19 7.037 1.000 -6.923 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.743 1.566 -6.353 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.776 0.258 -5.839 1.00 0.00 C ATOM 0 H VAL C 19 8.589 0.750 -8.820 1.00 0.00 H new ATOM 0 HA VAL C 19 6.504 -0.905 -7.740 1.00 0.00 H new ATOM 0 HB VAL C 19 7.658 1.821 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.971 2.212 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.229 2.144 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.102 0.748 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.964 0.930 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.174 -0.585 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.725 -0.108 -6.230 1.00 0.00 H new ATOM 922 N LEU C 20 4.631 -0.172 -9.191 1.00 0.00 N ATOM 923 CA LEU C 20 3.478 0.317 -9.878 1.00 0.00 C ATOM 924 C LEU C 20 2.398 0.572 -8.837 1.00 0.00 C ATOM 925 O LEU C 20 2.365 -0.101 -7.813 1.00 0.00 O ATOM 926 CB LEU C 20 3.010 -0.705 -10.915 1.00 0.00 C ATOM 927 CG LEU C 20 4.089 -1.624 -11.503 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.453 -2.661 -12.412 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.131 -0.836 -12.272 1.00 0.00 C ATOM 0 H LEU C 20 4.605 -1.161 -8.944 1.00 0.00 H new ATOM 0 HA LEU C 20 3.706 1.240 -10.411 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.242 -1.329 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.536 -0.166 -11.735 1.00 0.00 H new ATOM 0 HG LEU C 20 4.588 -2.124 -10.673 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.228 -3.308 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.745 -3.261 -11.840 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.929 -2.159 -13.225 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.879 -1.519 -12.674 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.651 -0.300 -13.091 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.613 -0.122 -11.604 1.00 0.00 H new ATOM 941 N VAL C 21 1.565 1.572 -9.054 1.00 0.00 N ATOM 942 CA VAL C 21 0.441 1.843 -8.165 1.00 0.00 C ATOM 943 C VAL C 21 -0.797 2.172 -8.994 1.00 0.00 C ATOM 944 O VAL C 21 -0.687 2.619 -10.131 1.00 0.00 O ATOM 945 CB VAL C 21 0.707 3.024 -7.211 1.00 0.00 C ATOM 946 CG1 VAL C 21 2.030 2.840 -6.487 1.00 0.00 C ATOM 947 CG2 VAL C 21 0.645 4.348 -7.959 1.00 0.00 C ATOM 0 H VAL C 21 1.643 2.216 -9.841 1.00 0.00 H new ATOM 0 HA VAL C 21 0.292 0.946 -7.564 1.00 0.00 H new ATOM 0 HB VAL C 21 -0.078 3.045 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.199 3.684 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.002 1.918 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.839 2.786 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL C 21 0.836 5.167 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.398 4.357 -8.747 1.00 0.00 H new ATOM 0 HG23 VAL C 21 -0.344 4.470 -8.401 1.00 0.00 H new ATOM 957 N LYS C 22 -1.961 1.928 -8.443 1.00 0.00 N ATOM 958 CA LYS C 22 -3.190 2.402 -9.007 1.00 0.00 C ATOM 959 C LYS C 22 -3.943 3.184 -7.939 1.00 0.00 C ATOM 960 O LYS C 22 -4.070 2.741 -6.796 1.00 0.00 O ATOM 961 CB LYS C 22 -4.045 1.245 -9.503 1.00 0.00 C ATOM 962 CG LYS C 22 -3.377 0.344 -10.534 1.00 0.00 C ATOM 963 CD LYS C 22 -4.402 -0.472 -11.321 1.00 0.00 C ATOM 964 CE LYS C 22 -5.323 -1.289 -10.429 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.356 -2.000 -11.227 1.00 0.00 N ATOM 0 H LYS C 22 -2.077 1.390 -7.584 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.970 3.043 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.338 0.637 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.960 1.649 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.790 0.952 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.683 -0.330 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -5.002 0.202 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -3.878 -1.142 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -4.737 -2.012 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.807 -0.634 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.969 -2.549 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.930 -1.307 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -5.893 -2.643 -11.901 1.00 0.00 H new ATOM 979 N THR C 23 -4.423 4.343 -8.331 1.00 0.00 N ATOM 980 CA THR C 23 -5.031 5.308 -7.427 1.00 0.00 C ATOM 981 C THR C 23 -6.463 4.928 -7.059 1.00 0.00 C ATOM 982 O THR C 23 -6.851 5.000 -5.900 1.00 0.00 O ATOM 983 CB THR C 23 -5.045 6.699 -8.083 1.00 0.00 C ATOM 984 OG1 THR C 23 -3.810 6.917 -8.779 1.00 0.00 O ATOM 985 CG2 THR C 23 -5.249 7.794 -7.048 1.00 0.00 C ATOM 0 H THR C 23 -4.404 4.652 -9.303 1.00 0.00 H new ATOM 0 HA THR C 23 -4.433 5.317 -6.516 1.00 0.00 H new ATOM 0 HB THR C 23 -5.877 6.735 -8.786 1.00 0.00 H new ATOM 0 HG1 THR C 23 -3.965 7.511 -9.543 1.00 0.00 H new ATOM 0 HG21 THR C 23 -5.254 8.765 -7.542 1.00 0.00 H new ATOM 0 HG22 THR C 23 -6.201 7.641 -6.539 1.00 0.00 H new ATOM 0 HG23 THR C 23 -4.439 7.762 -6.320 1.00 0.00 H new ATOM 993 N LEU C 24 -7.254 4.543 -8.052 1.00 0.00 N ATOM 994 CA LEU C 24 -8.647 4.176 -7.811 1.00 0.00 C ATOM 995 C LEU C 24 -9.109 3.150 -8.835 1.00 0.00 C ATOM 996 O LEU C 24 -9.786 2.183 -8.490 1.00 0.00 O ATOM 997 CB LEU C 24 -9.544 5.407 -7.885 1.00 0.00 C ATOM 998 CG LEU C 24 -10.580 5.567 -6.763 1.00 0.00 C ATOM 999 CD1 LEU C 24 -11.369 4.282 -6.534 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -9.912 6.028 -5.474 1.00 0.00 C ATOM 0 H LEU C 24 -6.959 4.476 -9.026 1.00 0.00 H new ATOM 0 HA LEU C 24 -8.717 3.744 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -8.908 6.293 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.073 5.387 -8.838 1.00 0.00 H new ATOM 0 HG LEU C 24 -11.288 6.333 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -12.091 4.437 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -11.895 4.010 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.685 3.480 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -10.664 6.135 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -9.170 5.292 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -9.423 6.988 -5.641 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.744 3.373 -10.092 1.00 0.00 N ATOM 1013 CA ASP C 25 -9.072 2.446 -11.173 1.00 0.00 C ATOM 1014 C ASP C 25 -8.572 2.985 -12.498 1.00 0.00 C ATOM 1015 O ASP C 25 -8.005 2.253 -13.304 1.00 0.00 O ATOM 1016 CB ASP C 25 -10.583 2.207 -11.269 1.00 0.00 C ATOM 1017 CG ASP C 25 -10.937 1.189 -12.335 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -10.825 -0.025 -12.062 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -11.333 1.599 -13.448 1.00 0.00 O ATOM 0 H ASP C 25 -8.217 4.193 -10.391 1.00 0.00 H new ATOM 0 HA ASP C 25 -8.582 1.498 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -10.957 1.864 -10.304 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -11.085 3.149 -11.489 1.00 0.00 H new ATOM 1024 N SER C 26 -8.782 4.276 -12.708 1.00 0.00 N ATOM 1025 CA SER C 26 -8.420 4.915 -13.962 1.00 0.00 C ATOM 1026 C SER C 26 -6.908 4.927 -14.167 1.00 0.00 C ATOM 1027 O SER C 26 -6.418 4.600 -15.248 1.00 0.00 O ATOM 1028 CB SER C 26 -8.977 6.341 -14.005 1.00 0.00 C ATOM 1029 OG SER C 26 -8.759 6.942 -15.272 1.00 0.00 O ATOM 0 H SER C 26 -9.203 4.903 -12.022 1.00 0.00 H new ATOM 0 HA SER C 26 -8.859 4.336 -14.775 1.00 0.00 H new ATOM 0 HB2 SER C 26 -10.045 6.323 -13.788 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.504 6.942 -13.229 1.00 0.00 H new ATOM 0 HG SER C 26 -9.126 7.851 -15.271 1.00 0.00 H new ATOM 1035 N GLN C 27 -6.172 5.291 -13.130 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.740 5.429 -13.240 1.00 0.00 C ATOM 1037 C GLN C 27 -3.989 4.167 -12.848 1.00 0.00 C ATOM 1038 O GLN C 27 -4.553 3.176 -12.383 1.00 0.00 O ATOM 1039 CB GLN C 27 -4.250 6.588 -12.386 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.893 7.901 -12.766 1.00 0.00 C ATOM 1041 CD GLN C 27 -4.475 9.056 -11.873 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -4.154 8.863 -10.700 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -4.499 10.265 -12.415 1.00 0.00 N ATOM 0 H GLN C 27 -6.548 5.495 -12.204 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.533 5.622 -14.293 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -4.458 6.376 -11.337 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -3.168 6.675 -12.485 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.636 8.138 -13.798 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.977 7.792 -12.724 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -4.771 10.381 -13.391 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -4.245 11.080 -11.856 1.00 0.00 H new ATOM 1052 N THR C 28 -2.700 4.286 -13.030 1.00 0.00 N ATOM 1053 CA THR C 28 -1.698 3.255 -12.789 1.00 0.00 C ATOM 1054 C THR C 28 -0.332 3.895 -13.051 1.00 0.00 C ATOM 1055 O THR C 28 0.020 4.134 -14.208 1.00 0.00 O ATOM 1056 CB THR C 28 -1.831 2.053 -13.741 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.027 1.309 -13.472 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.604 1.160 -13.605 1.00 0.00 C ATOM 0 H THR C 28 -2.286 5.154 -13.371 1.00 0.00 H new ATOM 0 HA THR C 28 -1.824 2.888 -11.771 1.00 0.00 H new ATOM 0 HB THR C 28 -1.897 2.423 -14.764 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.594 1.813 -12.852 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.697 0.308 -14.279 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.290 1.729 -13.861 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.526 0.803 -12.578 1.00 0.00 H new ATOM 1066 N ARG C 29 0.423 4.212 -12.015 1.00 0.00 N ATOM 1067 CA ARG C 29 1.676 4.926 -12.216 1.00 0.00 C ATOM 1068 C ARG C 29 2.822 4.263 -11.462 1.00 0.00 C ATOM 1069 O ARG C 29 2.595 3.530 -10.506 1.00 0.00 O ATOM 1070 CB ARG C 29 1.535 6.395 -11.803 1.00 0.00 C ATOM 1071 CG ARG C 29 0.583 7.181 -12.675 1.00 0.00 C ATOM 1072 CD ARG C 29 0.516 8.642 -12.263 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.484 9.389 -13.026 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.665 10.707 -12.926 1.00 0.00 C ATOM 1075 NH1 ARG C 29 0.117 11.429 -12.129 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.618 11.300 -13.638 1.00 0.00 N ATOM 0 H ARG C 29 0.200 3.993 -11.044 1.00 0.00 H new ATOM 0 HA ARG C 29 1.912 4.887 -13.279 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.191 6.442 -10.770 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.517 6.868 -11.833 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.901 7.111 -13.715 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.412 6.741 -12.615 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.282 8.707 -11.200 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.494 9.102 -12.403 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.078 8.871 -13.673 1.00 0.00 H new ATOM 0 HH11 ARG C 29 0.857 10.975 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -0.023 12.437 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -2.209 10.748 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -1.758 12.308 -13.563 1.00 0.00 H new ATOM 1090 N THR C 30 4.049 4.512 -11.906 1.00 0.00 N ATOM 1091 CA THR C 30 5.197 3.847 -11.393 1.00 0.00 C ATOM 1092 C THR C 30 6.025 4.707 -10.442 1.00 0.00 C ATOM 1093 O THR C 30 6.109 5.929 -10.595 1.00 0.00 O ATOM 1094 CB THR C 30 6.053 3.463 -12.567 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.184 4.577 -13.461 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.471 2.272 -13.293 1.00 0.00 C ATOM 0 H THR C 30 4.256 5.191 -12.639 1.00 0.00 H new ATOM 0 HA THR C 30 4.858 2.986 -10.817 1.00 0.00 H new ATOM 0 HB THR C 30 7.040 3.184 -12.198 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.744 4.321 -14.223 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.109 2.014 -14.138 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.411 1.424 -12.611 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.472 2.518 -13.654 1.00 0.00 H new ATOM 1104 N PHE C 31 6.661 4.034 -9.489 1.00 0.00 N ATOM 1105 CA PHE C 31 7.453 4.668 -8.446 1.00 0.00 C ATOM 1106 C PHE C 31 8.700 3.869 -8.176 1.00 0.00 C ATOM 1107 O PHE C 31 8.886 3.335 -7.084 1.00 0.00 O ATOM 1108 CB PHE C 31 6.649 4.744 -7.169 1.00 0.00 C ATOM 1109 CG PHE C 31 5.449 5.576 -7.303 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.551 6.817 -7.869 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.232 5.118 -6.879 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.438 7.609 -8.013 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.114 5.889 -7.011 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.207 7.149 -7.578 1.00 0.00 C ATOM 0 H PHE C 31 6.639 3.017 -9.420 1.00 0.00 H new ATOM 0 HA PHE C 31 7.724 5.669 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.357 3.738 -6.869 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.277 5.145 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.513 7.176 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.155 4.136 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.523 8.587 -8.464 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.158 5.517 -6.674 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.327 7.767 -7.680 1.00 0.00 H new ATOM 1124 N ILE C 32 9.536 3.771 -9.170 1.00 0.00 N ATOM 1125 CA ILE C 32 10.705 2.944 -9.079 1.00 0.00 C ATOM 1126 C ILE C 32 11.635 3.317 -7.964 1.00 0.00 C ATOM 1127 O ILE C 32 12.112 4.446 -7.838 1.00 0.00 O ATOM 1128 CB ILE C 32 11.431 2.893 -10.397 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.536 2.204 -11.312 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.672 2.071 -10.293 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.854 3.052 -12.352 1.00 0.00 C ATOM 0 H ILE C 32 9.428 4.258 -10.060 1.00 0.00 H new ATOM 0 HA ILE C 32 10.342 1.946 -8.833 1.00 0.00 H new ATOM 0 HB ILE C 32 11.701 3.899 -10.717 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.104 1.427 -11.824 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.768 1.702 -10.724 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.177 2.051 -11.259 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.335 2.506 -9.546 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.411 1.054 -9.998 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.215 2.423 -12.972 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.248 3.813 -11.861 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.605 3.534 -12.978 1.00 0.00 H new ATOM 1143 N VAL C 33 11.837 2.314 -7.154 1.00 0.00 N ATOM 1144 CA VAL C 33 12.688 2.390 -5.978 1.00 0.00 C ATOM 1145 C VAL C 33 13.585 1.181 -5.846 1.00 0.00 C ATOM 1146 O VAL C 33 13.704 0.376 -6.765 1.00 0.00 O ATOM 1147 CB VAL C 33 11.833 2.487 -4.723 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.201 3.832 -4.686 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.777 1.401 -4.711 1.00 0.00 C ATOM 0 H VAL C 33 11.410 1.398 -7.288 1.00 0.00 H new ATOM 0 HA VAL C 33 13.311 3.277 -6.094 1.00 0.00 H new ATOM 0 HB VAL C 33 12.458 2.349 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.584 3.919 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.976 4.598 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.579 3.966 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.176 1.488 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.134 1.509 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.260 0.424 -4.734 1.00 0.00 H new ATOM 1159 N GLY C 34 14.205 1.058 -4.683 1.00 0.00 N ATOM 1160 CA GLY C 34 15.149 -0.020 -4.464 1.00 0.00 C ATOM 1161 C GLY C 34 14.799 -0.935 -3.304 1.00 0.00 C ATOM 1162 O GLY C 34 15.671 -1.356 -2.554 1.00 0.00 O ATOM 0 H GLY C 34 14.073 1.683 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.218 -0.617 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.136 0.408 -4.288 1.00 0.00 H new ATOM 1166 N ALA C 35 13.515 -1.213 -3.157 1.00 0.00 N ATOM 1167 CA ALA C 35 13.026 -2.332 -2.345 1.00 0.00 C ATOM 1168 C ALA C 35 13.164 -2.194 -0.842 1.00 0.00 C ATOM 1169 O ALA C 35 12.969 -3.188 -0.135 1.00 0.00 O ATOM 1170 CB ALA C 35 13.698 -3.623 -2.767 1.00 0.00 C ATOM 0 H ALA C 35 12.772 -0.670 -3.597 1.00 0.00 H new ATOM 0 HA ALA C 35 11.954 -2.335 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA C 35 13.325 -4.444 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA C 35 13.477 -3.822 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA C 35 14.776 -3.532 -2.634 1.00 0.00 H new ATOM 1176 N GLN C 36 13.380 -0.987 -0.350 1.00 0.00 N ATOM 1177 CA GLN C 36 13.808 -0.791 1.048 1.00 0.00 C ATOM 1178 C GLN C 36 14.577 0.499 1.147 1.00 0.00 C ATOM 1179 O GLN C 36 14.956 0.944 2.225 1.00 0.00 O ATOM 1180 CB GLN C 36 14.685 -1.962 1.492 1.00 0.00 C ATOM 1181 CG GLN C 36 15.024 -2.046 2.945 1.00 0.00 C ATOM 1182 CD GLN C 36 15.656 -3.380 3.198 1.00 0.00 C ATOM 1183 OE1 GLN C 36 15.554 -3.950 4.284 1.00 0.00 O ATOM 1184 NE2 GLN C 36 16.289 -3.896 2.153 1.00 0.00 N ATOM 0 H GLN C 36 13.270 -0.125 -0.884 1.00 0.00 H new ATOM 0 HA GLN C 36 12.935 -0.745 1.698 1.00 0.00 H new ATOM 0 HB2 GLN C 36 14.183 -2.887 1.208 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.617 -1.919 0.929 1.00 0.00 H new ATOM 0 HG2 GLN C 36 15.706 -1.243 3.224 1.00 0.00 H new ATOM 0 HG3 GLN C 36 14.127 -1.928 3.553 1.00 0.00 H new ATOM 0 HE21 GLN C 36 16.339 -3.374 1.278 1.00 0.00 H new ATOM 0 HE22 GLN C 36 16.725 -4.815 2.224 1.00 0.00 H new ATOM 1193 N MET C 37 14.828 1.065 -0.016 1.00 0.00 N ATOM 1194 CA MET C 37 15.425 2.374 -0.120 1.00 0.00 C ATOM 1195 C MET C 37 14.710 3.358 0.806 1.00 0.00 C ATOM 1196 O MET C 37 15.294 3.844 1.774 1.00 0.00 O ATOM 1197 CB MET C 37 15.357 2.800 -1.557 1.00 0.00 C ATOM 1198 CG MET C 37 15.613 4.265 -1.798 1.00 0.00 C ATOM 1199 SD MET C 37 17.309 4.774 -1.437 1.00 0.00 S ATOM 1200 CE MET C 37 18.225 3.898 -2.704 1.00 0.00 C ATOM 0 H MET C 37 14.622 0.627 -0.914 1.00 0.00 H new ATOM 0 HA MET C 37 16.468 2.351 0.195 1.00 0.00 H new ATOM 0 HB2 MET C 37 16.083 2.221 -2.127 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.371 2.549 -1.949 1.00 0.00 H new ATOM 0 HG2 MET C 37 15.387 4.498 -2.838 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.929 4.850 -1.184 1.00 0.00 H new ATOM 0 HE1 MET C 37 19.218 4.336 -2.803 1.00 0.00 H new ATOM 0 HE2 MET C 37 18.317 2.848 -2.426 1.00 0.00 H new ATOM 0 HE3 MET C 37 17.697 3.976 -3.654 1.00 0.00 H new ATOM 1210 N ASN C 38 13.449 3.648 0.507 1.00 0.00 N ATOM 1211 CA ASN C 38 12.591 4.341 1.395 1.00 0.00 C ATOM 1212 C ASN C 38 11.215 3.707 1.319 1.00 0.00 C ATOM 1213 O ASN C 38 11.047 2.598 0.820 1.00 0.00 O ATOM 1214 CB ASN C 38 12.492 5.800 0.975 1.00 0.00 C ATOM 1215 CG ASN C 38 13.830 6.490 0.805 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.328 6.629 -0.310 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.431 6.913 1.902 1.00 0.00 N ATOM 0 H ASN C 38 13.010 3.394 -0.378 1.00 0.00 H new ATOM 0 HA ASN C 38 12.981 4.286 2.411 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.943 5.859 0.035 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.909 6.342 1.719 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.339 7.373 1.841 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.987 6.780 2.811 1.00 0.00 H new ATOM 1224 N VAL C 39 10.259 4.454 1.803 1.00 0.00 N ATOM 1225 CA VAL C 39 8.854 4.118 1.808 1.00 0.00 C ATOM 1226 C VAL C 39 8.161 5.200 2.603 1.00 0.00 C ATOM 1227 O VAL C 39 6.968 5.443 2.491 1.00 0.00 O ATOM 1228 CB VAL C 39 8.559 2.758 2.379 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.727 2.830 3.817 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.155 2.344 2.018 1.00 0.00 C ATOM 0 H VAL C 39 10.446 5.362 2.228 1.00 0.00 H new ATOM 0 HA VAL C 39 8.492 4.067 0.781 1.00 0.00 H new ATOM 0 HB VAL C 39 9.239 2.012 1.969 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.519 1.855 4.257 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.751 3.122 4.050 1.00 0.00 H new ATOM 0 HG13 VAL C 39 8.038 3.568 4.227 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.948 1.358 2.435 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.447 3.066 2.425 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.054 2.308 0.933 1.00 0.00 H new ATOM 1240 N LYS C 40 8.979 5.873 3.386 1.00 0.00 N ATOM 1241 CA LYS C 40 8.589 7.030 4.131 1.00 0.00 C ATOM 1242 C LYS C 40 8.667 8.225 3.216 1.00 0.00 C ATOM 1243 O LYS C 40 7.665 8.770 2.762 1.00 0.00 O ATOM 1244 CB LYS C 40 9.562 7.178 5.306 1.00 0.00 C ATOM 1245 CG LYS C 40 10.182 5.862 5.744 1.00 0.00 C ATOM 1246 CD LYS C 40 11.601 5.709 5.215 1.00 0.00 C ATOM 1247 CE LYS C 40 12.627 6.354 6.150 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.549 7.845 6.180 1.00 0.00 N ATOM 0 H LYS C 40 9.957 5.615 3.518 1.00 0.00 H new ATOM 0 HA LYS C 40 7.572 6.945 4.514 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.356 7.870 5.026 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.035 7.622 6.151 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.191 5.808 6.833 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.569 5.034 5.388 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.833 4.651 5.095 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.672 6.164 4.227 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.479 5.970 7.159 1.00 0.00 H new ATOM 0 HE3 LYS C 40 13.628 6.056 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.198 8.212 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.818 8.225 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 11.577 8.137 6.406 1.00 0.00 H new ATOM 1262 N GLU C 41 9.896 8.564 2.913 1.00 0.00 N ATOM 1263 CA GLU C 41 10.239 9.580 1.970 1.00 0.00 C ATOM 1264 C GLU C 41 9.745 9.208 0.583 1.00 0.00 C ATOM 1265 O GLU C 41 9.387 10.069 -0.216 1.00 0.00 O ATOM 1266 CB GLU C 41 11.746 9.701 1.981 1.00 0.00 C ATOM 1267 CG GLU C 41 12.307 10.047 3.345 1.00 0.00 C ATOM 1268 CD GLU C 41 13.780 9.742 3.456 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.603 10.524 2.930 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.115 8.708 4.071 1.00 0.00 O ATOM 0 H GLU C 41 10.710 8.118 3.337 1.00 0.00 H new ATOM 0 HA GLU C 41 9.772 10.528 2.236 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.182 8.761 1.644 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.048 10.467 1.266 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.142 11.106 3.545 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.765 9.490 4.109 1.00 0.00 H new ATOM 1277 N PHE C 42 9.735 7.910 0.313 1.00 0.00 N ATOM 1278 CA PHE C 42 9.206 7.384 -0.926 1.00 0.00 C ATOM 1279 C PHE C 42 7.746 7.783 -1.068 1.00 0.00 C ATOM 1280 O PHE C 42 7.356 8.360 -2.079 1.00 0.00 O ATOM 1281 CB PHE C 42 9.381 5.866 -0.925 1.00 0.00 C ATOM 1282 CG PHE C 42 8.415 5.111 -1.802 1.00 0.00 C ATOM 1283 CD1 PHE C 42 8.661 4.950 -3.148 1.00 0.00 C ATOM 1284 CD2 PHE C 42 7.252 4.580 -1.276 1.00 0.00 C ATOM 1285 CE1 PHE C 42 7.764 4.275 -3.952 1.00 0.00 C ATOM 1286 CE2 PHE C 42 6.354 3.905 -2.073 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.608 3.757 -3.413 1.00 0.00 C ATOM 0 H PHE C 42 10.094 7.198 0.949 1.00 0.00 H new ATOM 0 HA PHE C 42 9.743 7.795 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.397 5.633 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.278 5.504 0.098 1.00 0.00 H new ATOM 0 HD1 PHE C 42 9.564 5.356 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE C 42 7.044 4.696 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE C 42 7.970 4.153 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE C 42 5.452 3.493 -1.644 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.903 3.236 -4.043 1.00 0.00 H new ATOM 1297 N LYS C 43 6.945 7.504 -0.041 1.00 0.00 N ATOM 1298 CA LYS C 43 5.542 7.894 -0.065 1.00 0.00 C ATOM 1299 C LYS C 43 5.378 9.411 0.000 1.00 0.00 C ATOM 1300 O LYS C 43 4.462 9.965 -0.606 1.00 0.00 O ATOM 1301 CB LYS C 43 4.762 7.223 1.061 1.00 0.00 C ATOM 1302 CG LYS C 43 4.501 5.747 0.817 1.00 0.00 C ATOM 1303 CD LYS C 43 3.932 5.040 2.043 1.00 0.00 C ATOM 1304 CE LYS C 43 2.553 5.552 2.426 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.624 6.728 3.330 1.00 0.00 N ATOM 0 H LYS C 43 7.240 7.017 0.805 1.00 0.00 H new ATOM 0 HA LYS C 43 5.131 7.554 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.314 7.337 1.994 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.809 7.737 1.189 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.806 5.638 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.431 5.262 0.522 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.876 3.969 1.847 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.612 5.175 2.884 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.004 5.822 1.524 1.00 0.00 H new ATOM 0 HE3 LYS C 43 1.993 4.754 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.771 7.310 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.686 6.404 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 3.465 7.294 3.098 1.00 0.00 H new ATOM 1319 N GLU C 44 6.253 10.074 0.751 1.00 0.00 N ATOM 1320 CA GLU C 44 6.281 11.516 0.820 1.00 0.00 C ATOM 1321 C GLU C 44 6.446 12.130 -0.567 1.00 0.00 C ATOM 1322 O GLU C 44 5.822 13.138 -0.892 1.00 0.00 O ATOM 1323 CB GLU C 44 7.432 11.938 1.706 1.00 0.00 C ATOM 1324 CG GLU C 44 7.280 13.331 2.252 1.00 0.00 C ATOM 1325 CD GLU C 44 8.523 13.823 2.961 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.470 14.263 2.274 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.557 13.784 4.209 1.00 0.00 O ATOM 0 H GLU C 44 6.960 9.617 1.327 1.00 0.00 H new ATOM 0 HA GLU C 44 5.336 11.869 1.233 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.519 11.237 2.536 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.360 11.877 1.138 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.040 14.012 1.435 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.439 13.355 2.945 1.00 0.00 H new ATOM 1334 N HIS C 45 7.295 11.517 -1.379 1.00 0.00 N ATOM 1335 CA HIS C 45 7.560 11.998 -2.715 1.00 0.00 C ATOM 1336 C HIS C 45 6.356 11.807 -3.634 1.00 0.00 C ATOM 1337 O HIS C 45 6.029 12.692 -4.422 1.00 0.00 O ATOM 1338 CB HIS C 45 8.784 11.285 -3.283 1.00 0.00 C ATOM 1339 CG HIS C 45 10.071 12.018 -3.051 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.632 12.866 -3.981 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.913 12.021 -1.989 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.757 13.359 -3.502 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.952 12.863 -2.295 1.00 0.00 N ATOM 0 H HIS C 45 7.814 10.676 -1.126 1.00 0.00 H new ATOM 0 HA HIS C 45 7.757 13.069 -2.658 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.855 10.293 -2.836 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.646 11.143 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.789 11.464 -1.072 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.409 14.052 -4.012 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.745 13.071 -1.689 1.00 0.00 H new ATOM 1352 N ILE C 46 5.687 10.661 -3.525 1.00 0.00 N ATOM 1353 CA ILE C 46 4.582 10.351 -4.413 1.00 0.00 C ATOM 1354 C ILE C 46 3.311 11.117 -4.028 1.00 0.00 C ATOM 1355 O ILE C 46 2.401 11.237 -4.849 1.00 0.00 O ATOM 1356 CB ILE C 46 4.279 8.832 -4.452 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.444 8.394 -3.255 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.564 8.030 -4.495 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.027 6.939 -3.308 1.00 0.00 C ATOM 0 H ILE C 46 5.893 9.940 -2.834 1.00 0.00 H new ATOM 0 HA ILE C 46 4.894 10.668 -5.408 1.00 0.00 H new ATOM 0 HB ILE C 46 3.705 8.642 -5.359 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.014 8.567 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.552 9.017 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.328 6.966 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.131 8.299 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.158 8.247 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.436 6.697 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.430 6.764 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.915 6.307 -3.335 1.00 0.00 H new ATOM 1371 N ALA C 47 3.281 11.653 -2.799 1.00 0.00 N ATOM 1372 CA ALA C 47 2.133 12.379 -2.260 1.00 0.00 C ATOM 1373 C ALA C 47 1.430 13.282 -3.274 1.00 0.00 C ATOM 1374 O ALA C 47 0.251 13.094 -3.543 1.00 0.00 O ATOM 1375 CB ALA C 47 2.576 13.212 -1.068 1.00 0.00 C ATOM 0 H ALA C 47 4.064 11.591 -2.148 1.00 0.00 H new ATOM 0 HA ALA C 47 1.405 11.622 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.721 13.754 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.986 12.557 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.340 13.923 -1.384 1.00 0.00 H new ATOM 1381 N ALA C 48 2.133 14.248 -3.844 1.00 0.00 N ATOM 1382 CA ALA C 48 1.487 15.212 -4.735 1.00 0.00 C ATOM 1383 C ALA C 48 0.944 14.565 -5.998 1.00 0.00 C ATOM 1384 O ALA C 48 -0.157 14.884 -6.440 1.00 0.00 O ATOM 1385 CB ALA C 48 2.439 16.314 -5.116 1.00 0.00 C ATOM 0 H ALA C 48 3.135 14.389 -3.712 1.00 0.00 H new ATOM 0 HA ALA C 48 0.647 15.626 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.935 17.017 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.770 16.835 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.302 15.888 -5.628 1.00 0.00 H new ATOM 1391 N SER C 49 1.714 13.655 -6.574 1.00 0.00 N ATOM 1392 CA SER C 49 1.345 13.005 -7.809 1.00 0.00 C ATOM 1393 C SER C 49 0.065 12.190 -7.640 1.00 0.00 C ATOM 1394 O SER C 49 -0.653 11.925 -8.603 1.00 0.00 O ATOM 1395 CB SER C 49 2.498 12.116 -8.237 1.00 0.00 C ATOM 1396 OG SER C 49 3.484 12.052 -7.216 1.00 0.00 O ATOM 0 H SER C 49 2.610 13.351 -6.194 1.00 0.00 H new ATOM 0 HA SER C 49 1.147 13.755 -8.575 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.130 11.114 -8.458 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.941 12.502 -9.155 1.00 0.00 H new ATOM 0 HG SER C 49 3.099 11.639 -6.415 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.213 11.804 -6.404 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.406 11.040 -6.090 1.00 0.00 C ATOM 1404 C VAL C 50 -2.417 11.890 -5.320 1.00 0.00 C ATOM 1405 O VAL C 50 -3.537 11.445 -5.061 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.051 9.758 -5.299 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.247 8.809 -6.175 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.273 10.091 -4.039 1.00 0.00 C ATOM 0 H VAL C 50 0.378 12.010 -5.598 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.866 10.740 -7.032 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.981 9.272 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.002 7.910 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.835 8.537 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.673 9.299 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.037 9.171 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.652 10.602 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.874 10.739 -3.401 1.00 0.00 H new ATOM 1418 N SER C 51 -2.007 13.117 -4.959 1.00 0.00 N ATOM 1419 CA SER C 51 -2.870 14.067 -4.268 1.00 0.00 C ATOM 1420 C SER C 51 -3.141 13.577 -2.856 1.00 0.00 C ATOM 1421 O SER C 51 -4.092 14.006 -2.194 1.00 0.00 O ATOM 1422 CB SER C 51 -4.175 14.301 -5.039 1.00 0.00 C ATOM 1423 OG SER C 51 -4.998 15.257 -4.388 1.00 0.00 O ATOM 0 H SER C 51 -1.068 13.470 -5.141 1.00 0.00 H new ATOM 0 HA SER C 51 -2.359 15.028 -4.213 1.00 0.00 H new ATOM 0 HB2 SER C 51 -3.946 14.643 -6.048 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.716 13.360 -5.136 1.00 0.00 H new ATOM 0 HG SER C 51 -4.984 15.096 -3.421 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.280 12.684 -2.395 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.418 12.111 -1.077 1.00 0.00 C ATOM 1431 C ILE C 52 -1.109 12.215 -0.304 1.00 0.00 C ATOM 1432 O ILE C 52 -0.110 11.632 -0.706 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.812 10.622 -1.122 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.023 10.380 -2.029 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.117 10.146 0.289 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.347 10.554 -1.320 1.00 0.00 C ATOM 0 H ILE C 52 -1.476 12.343 -2.922 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.209 12.678 -0.585 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.976 10.059 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.978 11.067 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.967 9.370 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.397 9.093 0.265 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.234 10.273 0.915 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.940 10.731 0.700 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.162 10.368 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.412 9.848 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.423 11.571 -0.936 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.098 12.929 0.827 1.00 0.00 N ATOM 1449 CA PRO C 53 0.091 13.035 1.666 1.00 0.00 C ATOM 1450 C PRO C 53 0.394 11.718 2.357 1.00 0.00 C ATOM 1451 O PRO C 53 -0.515 10.980 2.714 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.262 14.080 2.703 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.617 14.608 2.362 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.242 13.646 1.393 1.00 0.00 C ATOM 0 HA PRO C 53 0.972 13.295 1.079 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.260 13.645 3.702 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.474 14.884 2.704 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.229 14.702 3.259 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.542 15.602 1.922 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.933 12.967 1.893 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.809 14.167 0.622 1.00 0.00 H new ATOM 1462 N SER C 54 1.681 11.447 2.553 1.00 0.00 N ATOM 1463 CA SER C 54 2.149 10.190 3.130 1.00 0.00 C ATOM 1464 C SER C 54 1.472 9.886 4.467 1.00 0.00 C ATOM 1465 O SER C 54 1.337 8.719 4.841 1.00 0.00 O ATOM 1466 CB SER C 54 3.674 10.218 3.307 1.00 0.00 C ATOM 1467 OG SER C 54 4.186 8.921 3.566 1.00 0.00 O ATOM 0 H SER C 54 2.432 12.095 2.315 1.00 0.00 H new ATOM 0 HA SER C 54 1.880 9.395 2.435 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.139 10.622 2.408 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.935 10.885 4.129 1.00 0.00 H new ATOM 0 HG SER C 54 5.159 8.969 3.673 1.00 0.00 H new ATOM 1473 N GLU C 55 1.025 10.923 5.172 1.00 0.00 N ATOM 1474 CA GLU C 55 0.369 10.738 6.462 1.00 0.00 C ATOM 1475 C GLU C 55 -1.028 10.128 6.286 1.00 0.00 C ATOM 1476 O GLU C 55 -1.490 9.356 7.124 1.00 0.00 O ATOM 1477 CB GLU C 55 0.292 12.063 7.214 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.499 13.093 6.482 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.601 14.411 7.217 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -1.520 14.562 8.050 1.00 0.00 O ATOM 1481 OE2 GLU C 55 0.232 15.307 6.959 1.00 0.00 O ATOM 0 H GLU C 55 1.105 11.895 4.873 1.00 0.00 H new ATOM 0 HA GLU C 55 0.965 10.041 7.052 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.156 11.895 8.194 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.301 12.439 7.385 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.043 13.264 5.507 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.503 12.708 6.301 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.684 10.461 5.181 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.016 9.939 4.889 1.00 0.00 C ATOM 1490 C LYS C 56 -2.920 8.775 3.909 1.00 0.00 C ATOM 1491 O LYS C 56 -3.790 7.910 3.857 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.899 11.037 4.287 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.080 12.249 5.189 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.903 13.339 4.516 1.00 0.00 C ATOM 1495 CE LYS C 56 -6.326 12.882 4.231 1.00 0.00 C ATOM 1496 NZ LYS C 56 -7.131 13.952 3.587 1.00 0.00 N ATOM 0 H LYS C 56 -1.315 11.092 4.470 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.461 9.592 5.822 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.464 11.362 3.342 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.879 10.617 4.059 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.569 11.943 6.114 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.103 12.648 5.462 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.926 14.222 5.154 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -4.422 13.633 3.583 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.303 12.005 3.584 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -6.804 12.579 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -8.094 13.602 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.174 14.780 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -6.689 14.224 2.686 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.842 8.773 3.146 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.644 7.826 2.062 1.00 0.00 C ATOM 1512 C GLN C 57 -1.420 6.413 2.582 1.00 0.00 C ATOM 1513 O GLN C 57 -0.503 6.165 3.372 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.448 8.265 1.218 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.180 7.373 0.028 1.00 0.00 C ATOM 1516 CD GLN C 57 0.518 8.098 -1.103 1.00 0.00 C ATOM 1517 OE1 GLN C 57 0.327 7.749 -2.258 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.331 9.108 -0.792 1.00 0.00 N ATOM 0 H GLN C 57 -1.073 9.433 3.261 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.547 7.814 1.452 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.618 9.283 0.866 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.440 8.290 1.849 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.431 6.528 0.344 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -1.124 6.966 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.466 9.372 0.184 1.00 0.00 H new ATOM 0 HE22 GLN C 57 1.817 9.617 -1.530 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.266 5.500 2.142 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.121 4.087 2.458 1.00 0.00 C ATOM 1529 C ARG C 58 -1.765 3.311 1.192 1.00 0.00 C ATOM 1530 O ARG C 58 -2.494 3.385 0.204 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.429 3.524 3.029 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.943 4.216 4.287 1.00 0.00 C ATOM 1533 CD ARG C 58 -3.024 4.007 5.483 1.00 0.00 C ATOM 1534 NE ARG C 58 -1.928 4.975 5.517 1.00 0.00 N ATOM 1535 CZ ARG C 58 -1.219 5.263 6.608 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -1.443 4.613 7.744 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -0.281 6.198 6.560 1.00 0.00 N ATOM 0 H ARG C 58 -3.073 5.714 1.556 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.330 3.981 3.200 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.199 3.587 2.260 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.284 2.466 3.250 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -4.046 5.284 4.094 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -4.937 3.838 4.526 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -3.604 4.086 6.402 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -2.614 2.998 5.451 1.00 0.00 H new ATOM 0 HE ARG C 58 -1.692 5.460 4.651 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -2.161 3.889 7.785 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -0.897 4.837 8.576 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -0.102 6.697 5.688 1.00 0.00 H new ATOM 0 HH22 ARG C 58 0.262 6.419 7.395 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.643 2.598 1.199 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.314 1.710 0.109 1.00 0.00 C ATOM 1553 C LEU C 59 -0.914 0.341 0.373 1.00 0.00 C ATOM 1554 O LEU C 59 -0.498 -0.344 1.287 1.00 0.00 O ATOM 1555 CB LEU C 59 1.184 1.567 0.026 1.00 0.00 C ATOM 1556 CG LEU C 59 1.985 2.840 -0.239 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.469 2.518 -0.230 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.588 3.474 -1.564 1.00 0.00 C ATOM 0 H LEU C 59 0.047 2.623 1.950 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.709 2.117 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.536 1.133 0.962 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.413 0.851 -0.763 1.00 0.00 H new ATOM 0 HG LEU C 59 1.766 3.558 0.551 1.00 0.00 H new ATOM 0 HD11 LEU C 59 4.040 3.427 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.747 2.111 0.742 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.687 1.785 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.175 4.378 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.776 2.770 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.528 3.728 -1.543 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.903 -0.054 -0.386 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.475 -1.373 -0.200 1.00 0.00 C ATOM 1572 C ILE C 60 -2.117 -2.312 -1.337 1.00 0.00 C ATOM 1573 O ILE C 60 -2.547 -2.120 -2.479 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.995 -1.318 -0.102 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.424 -0.161 0.782 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.524 -2.639 0.436 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.878 0.177 0.635 1.00 0.00 C ATOM 0 H ILE C 60 -2.327 0.503 -1.128 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.054 -1.748 0.733 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.413 -1.156 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.217 -0.409 1.823 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.826 0.717 0.539 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.611 -2.595 0.504 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.235 -3.447 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.105 -2.823 1.426 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.126 1.011 1.291 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.084 0.455 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.482 -0.689 0.905 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.343 -3.328 -1.023 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.089 -4.398 -1.962 1.00 0.00 C ATOM 1591 C TYR C 61 -1.252 -5.731 -1.254 1.00 0.00 C ATOM 1592 O TYR C 61 -0.739 -5.918 -0.151 1.00 0.00 O ATOM 1593 CB TYR C 61 0.302 -4.285 -2.586 1.00 0.00 C ATOM 1594 CG TYR C 61 0.494 -5.264 -3.715 1.00 0.00 C ATOM 1595 CD1 TYR C 61 -0.301 -5.183 -4.846 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.435 -6.279 -3.641 1.00 0.00 C ATOM 1597 CE1 TYR C 61 -0.172 -6.088 -5.874 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.578 -7.190 -4.672 1.00 0.00 C ATOM 1599 CZ TYR C 61 0.768 -7.091 -5.786 1.00 0.00 C ATOM 1600 OH TYR C 61 0.890 -8.000 -6.814 1.00 0.00 O ATOM 0 H TYR C 61 -0.878 -3.435 -0.122 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.810 -4.324 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.452 -3.271 -2.956 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.058 -4.461 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -1.036 -4.395 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.065 -6.360 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.805 -6.012 -6.746 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.318 -7.974 -4.606 1.00 0.00 H new ATOM 0 HH TYR C 61 0.240 -7.789 -7.516 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.987 -6.639 -1.887 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.350 -7.921 -1.283 1.00 0.00 C ATOM 1612 C GLN C 62 -3.137 -7.698 0.007 1.00 0.00 C ATOM 1613 O GLN C 62 -3.002 -8.449 0.976 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.121 -8.784 -1.023 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.359 -9.137 -2.286 1.00 0.00 C ATOM 1616 CD GLN C 62 0.839 -9.994 -2.004 1.00 0.00 C ATOM 1617 OE1 GLN C 62 0.765 -11.223 -2.028 1.00 0.00 O ATOM 1618 NE2 GLN C 62 1.948 -9.360 -1.720 1.00 0.00 N ATOM 0 H GLN C 62 -2.349 -6.510 -2.832 1.00 0.00 H new ATOM 0 HA GLN C 62 -2.983 -8.457 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.454 -8.258 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.429 -9.703 -0.524 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.023 -9.659 -2.975 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.040 -8.221 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN C 62 1.965 -8.340 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN C 62 2.796 -9.886 -1.507 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.939 -6.635 0.021 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.750 -6.313 1.185 1.00 0.00 C ATOM 1629 C GLY C 63 -3.919 -5.883 2.379 1.00 0.00 C ATOM 1630 O GLY C 63 -4.455 -5.632 3.460 1.00 0.00 O ATOM 0 H GLY C 63 -4.042 -5.986 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.447 -5.516 0.927 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.347 -7.183 1.458 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.608 -5.815 2.187 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.697 -5.415 3.244 1.00 0.00 C ATOM 1636 C ARG C 64 -1.492 -3.915 3.184 1.00 0.00 C ATOM 1637 O ARG C 64 -1.305 -3.353 2.102 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.341 -6.114 3.103 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.392 -7.637 3.054 1.00 0.00 C ATOM 1640 CD ARG C 64 -1.058 -8.238 4.283 1.00 0.00 C ATOM 1641 NE ARG C 64 -2.505 -8.357 4.121 1.00 0.00 N ATOM 1642 CZ ARG C 64 -3.329 -8.821 5.060 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -2.853 -9.217 6.233 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -4.629 -8.899 4.819 1.00 0.00 N ATOM 0 H ARG C 64 -2.152 -6.034 1.301 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.134 -5.702 4.200 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.141 -5.754 2.194 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.291 -5.815 3.939 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.934 -7.951 2.162 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.621 -8.029 2.966 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.634 -9.222 4.480 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.841 -7.618 5.152 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.911 -8.066 3.232 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -1.852 -9.167 6.420 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -3.488 -9.571 6.948 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.999 -8.604 3.915 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -5.260 -9.254 5.537 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.513 -3.267 4.333 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.405 -1.822 4.368 1.00 0.00 C ATOM 1660 C VAL C 65 0.063 -1.422 4.484 1.00 0.00 C ATOM 1661 O VAL C 65 0.607 -1.280 5.584 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.217 -1.211 5.536 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.753 0.166 5.169 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.359 -2.125 5.947 1.00 0.00 C ATOM 0 H VAL C 65 -1.603 -3.713 5.246 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.823 -1.431 3.440 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.540 -1.104 6.383 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.319 0.571 6.008 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.921 0.831 4.938 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.403 0.083 4.298 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.911 -1.670 6.769 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.028 -2.275 5.100 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.958 -3.087 6.268 1.00 0.00 H new ATOM 1674 N LEU C 66 0.700 -1.268 3.333 1.00 0.00 N ATOM 1675 CA LEU C 66 2.093 -0.860 3.256 1.00 0.00 C ATOM 1676 C LEU C 66 2.193 0.619 3.595 1.00 0.00 C ATOM 1677 O LEU C 66 1.344 1.419 3.191 1.00 0.00 O ATOM 1678 CB LEU C 66 2.674 -1.100 1.855 1.00 0.00 C ATOM 1679 CG LEU C 66 1.918 -2.092 0.957 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.513 -2.085 -0.440 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.942 -3.499 1.538 1.00 0.00 C ATOM 0 H LEU C 66 0.264 -1.423 2.424 1.00 0.00 H new ATOM 0 HA LEU C 66 2.666 -1.457 3.965 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.723 -0.142 1.338 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.699 -1.455 1.967 1.00 0.00 H new ATOM 0 HG LEU C 66 0.877 -1.775 0.904 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.971 -2.791 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.433 -1.084 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.563 -2.375 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.398 -4.175 0.878 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.974 -3.836 1.632 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.471 -3.495 2.521 1.00 0.00 H new ATOM 1693 N GLN C 67 3.224 0.993 4.321 1.00 0.00 N ATOM 1694 CA GLN C 67 3.309 2.340 4.844 1.00 0.00 C ATOM 1695 C GLN C 67 4.768 2.742 5.057 1.00 0.00 C ATOM 1696 O GLN C 67 5.673 2.026 4.642 1.00 0.00 O ATOM 1697 CB GLN C 67 2.529 2.410 6.157 1.00 0.00 C ATOM 1698 CG GLN C 67 2.945 1.340 7.150 1.00 0.00 C ATOM 1699 CD GLN C 67 1.954 1.169 8.277 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.058 1.815 9.320 1.00 0.00 O ATOM 1701 NE2 GLN C 67 0.986 0.292 8.077 1.00 0.00 N ATOM 0 H GLN C 67 4.010 0.389 4.562 1.00 0.00 H new ATOM 0 HA GLN C 67 2.876 3.039 4.128 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.673 3.392 6.607 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.464 2.309 5.947 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.060 0.391 6.627 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.920 1.596 7.565 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.937 -0.222 7.197 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.288 0.129 8.802 1.00 0.00 H new ATOM 1710 N ASP C 68 4.987 3.863 5.734 1.00 0.00 N ATOM 1711 CA ASP C 68 6.323 4.393 5.996 1.00 0.00 C ATOM 1712 C ASP C 68 7.145 3.469 6.917 1.00 0.00 C ATOM 1713 O ASP C 68 8.296 3.762 7.239 1.00 0.00 O ATOM 1714 CB ASP C 68 6.234 5.806 6.589 1.00 0.00 C ATOM 1715 CG ASP C 68 5.561 5.838 7.945 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.314 5.757 7.992 1.00 0.00 O ATOM 1717 OD2 ASP C 68 6.271 5.950 8.963 1.00 0.00 O ATOM 0 H ASP C 68 4.237 4.436 6.121 1.00 0.00 H new ATOM 0 HA ASP C 68 6.845 4.442 5.040 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.238 6.220 6.678 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.684 6.449 5.901 1.00 0.00 H new ATOM 1722 N ASP C 69 6.532 2.362 7.333 1.00 0.00 N ATOM 1723 CA ASP C 69 7.125 1.383 8.267 1.00 0.00 C ATOM 1724 C ASP C 69 8.445 0.786 7.765 1.00 0.00 C ATOM 1725 O ASP C 69 9.150 0.107 8.516 1.00 0.00 O ATOM 1726 CB ASP C 69 6.126 0.254 8.496 1.00 0.00 C ATOM 1727 CG ASP C 69 6.589 -0.757 9.531 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.853 -0.359 10.684 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.671 -1.960 9.198 1.00 0.00 O ATOM 0 H ASP C 69 5.592 2.108 7.030 1.00 0.00 H new ATOM 0 HA ASP C 69 7.348 1.916 9.191 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.174 0.679 8.814 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.946 -0.260 7.552 1.00 0.00 H new ATOM 1734 N LYS C 70 8.750 1.046 6.498 1.00 0.00 N ATOM 1735 CA LYS C 70 10.012 0.639 5.845 1.00 0.00 C ATOM 1736 C LYS C 70 9.968 -0.779 5.281 1.00 0.00 C ATOM 1737 O LYS C 70 8.988 -1.506 5.454 1.00 0.00 O ATOM 1738 CB LYS C 70 11.210 0.771 6.786 1.00 0.00 C ATOM 1739 CG LYS C 70 11.403 2.164 7.342 1.00 0.00 C ATOM 1740 CD LYS C 70 12.742 2.277 8.054 1.00 0.00 C ATOM 1741 CE LYS C 70 12.958 3.657 8.637 1.00 0.00 C ATOM 1742 NZ LYS C 70 14.198 3.732 9.451 1.00 0.00 N ATOM 0 H LYS C 70 8.122 1.555 5.875 1.00 0.00 H new ATOM 0 HA LYS C 70 10.133 1.328 5.009 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.087 0.074 7.615 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.113 0.475 6.252 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.352 2.894 6.534 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.596 2.399 8.035 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.793 1.535 8.850 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.546 2.049 7.354 1.00 0.00 H new ATOM 0 HE2 LYS C 70 13.010 4.387 7.829 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.102 3.927 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 14.306 4.694 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 14.138 3.054 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 15.019 3.500 8.856 1.00 0.00 H new ATOM 1756 N LYS C 71 11.061 -1.140 4.594 1.00 0.00 N ATOM 1757 CA LYS C 71 11.257 -2.475 4.023 1.00 0.00 C ATOM 1758 C LYS C 71 10.234 -2.783 2.924 1.00 0.00 C ATOM 1759 O LYS C 71 9.204 -3.411 3.172 1.00 0.00 O ATOM 1760 CB LYS C 71 11.215 -3.537 5.128 1.00 0.00 C ATOM 1761 CG LYS C 71 12.248 -3.310 6.225 1.00 0.00 C ATOM 1762 CD LYS C 71 12.178 -4.377 7.309 1.00 0.00 C ATOM 1763 CE LYS C 71 12.757 -5.702 6.838 1.00 0.00 C ATOM 1764 NZ LYS C 71 14.211 -5.604 6.537 1.00 0.00 N ATOM 0 H LYS C 71 11.840 -0.505 4.419 1.00 0.00 H new ATOM 0 HA LYS C 71 12.241 -2.496 3.556 1.00 0.00 H new ATOM 0 HB2 LYS C 71 10.220 -3.549 5.573 1.00 0.00 H new ATOM 0 HB3 LYS C 71 11.377 -4.519 4.684 1.00 0.00 H new ATOM 0 HG2 LYS C 71 13.246 -3.304 5.787 1.00 0.00 H new ATOM 0 HG3 LYS C 71 12.091 -2.329 6.673 1.00 0.00 H new ATOM 0 HD2 LYS C 71 12.722 -4.036 8.190 1.00 0.00 H new ATOM 0 HD3 LYS C 71 11.140 -4.521 7.611 1.00 0.00 H new ATOM 0 HE2 LYS C 71 12.597 -6.460 7.605 1.00 0.00 H new ATOM 0 HE3 LYS C 71 12.224 -6.033 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 14.609 -6.559 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 14.347 -5.075 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 14.694 -5.109 7.314 1.00 0.00 H new ATOM 1778 N LEU C 72 10.549 -2.367 1.695 1.00 0.00 N ATOM 1779 CA LEU C 72 9.624 -2.512 0.568 1.00 0.00 C ATOM 1780 C LEU C 72 9.547 -3.947 0.053 1.00 0.00 C ATOM 1781 O LEU C 72 8.491 -4.387 -0.396 1.00 0.00 O ATOM 1782 CB LEU C 72 10.008 -1.575 -0.584 1.00 0.00 C ATOM 1783 CG LEU C 72 9.753 -0.091 -0.335 1.00 0.00 C ATOM 1784 CD1 LEU C 72 10.161 0.744 -1.534 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.291 0.136 -0.025 1.00 0.00 C ATOM 0 H LEU C 72 11.437 -1.927 1.455 1.00 0.00 H new ATOM 0 HA LEU C 72 8.639 -2.239 0.946 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.067 -1.712 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.456 -1.877 -1.474 1.00 0.00 H new ATOM 0 HG LEU C 72 10.358 0.218 0.517 1.00 0.00 H new ATOM 0 HD11 LEU C 72 9.968 1.797 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU C 72 11.224 0.602 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU C 72 9.585 0.434 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.117 1.197 0.152 1.00 0.00 H new ATOM 0 HD22 LEU C 72 7.685 -0.196 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.016 -0.430 0.865 1.00 0.00 H new ATOM 1797 N GLN C 73 10.656 -4.675 0.100 1.00 0.00 N ATOM 1798 CA GLN C 73 10.687 -6.042 -0.347 1.00 0.00 C ATOM 1799 C GLN C 73 9.837 -6.943 0.541 1.00 0.00 C ATOM 1800 O GLN C 73 9.440 -8.031 0.133 1.00 0.00 O ATOM 1801 CB GLN C 73 12.126 -6.511 -0.381 1.00 0.00 C ATOM 1802 CG GLN C 73 12.901 -6.287 0.910 1.00 0.00 C ATOM 1803 CD GLN C 73 14.265 -6.965 0.915 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.765 -7.360 1.967 1.00 0.00 O ATOM 1805 NE2 GLN C 73 14.877 -7.113 -0.252 1.00 0.00 N ATOM 0 H GLN C 73 11.549 -4.327 0.449 1.00 0.00 H new ATOM 0 HA GLN C 73 10.260 -6.099 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.141 -7.575 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.642 -5.997 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.034 -5.216 1.066 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.313 -6.661 1.749 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.435 -6.774 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN C 73 15.790 -7.566 -0.295 1.00 0.00 H new ATOM 1814 N GLU C 74 9.546 -6.476 1.747 1.00 0.00 N ATOM 1815 CA GLU C 74 8.620 -7.175 2.622 1.00 0.00 C ATOM 1816 C GLU C 74 7.215 -7.081 2.044 1.00 0.00 C ATOM 1817 O GLU C 74 6.385 -7.968 2.239 1.00 0.00 O ATOM 1818 CB GLU C 74 8.654 -6.583 4.028 1.00 0.00 C ATOM 1819 CG GLU C 74 9.993 -6.751 4.724 1.00 0.00 C ATOM 1820 CD GLU C 74 10.355 -8.202 4.952 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.784 -8.825 5.873 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.217 -8.727 4.216 1.00 0.00 O ATOM 0 H GLU C 74 9.937 -5.619 2.139 1.00 0.00 H new ATOM 0 HA GLU C 74 8.916 -8.222 2.690 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.413 -5.521 3.973 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.878 -7.055 4.631 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.771 -6.277 4.126 1.00 0.00 H new ATOM 0 HG3 GLU C 74 9.967 -6.232 5.682 1.00 0.00 H new ATOM 1829 N TYR C 75 6.970 -6.002 1.305 1.00 0.00 N ATOM 1830 CA TYR C 75 5.684 -5.778 0.681 1.00 0.00 C ATOM 1831 C TYR C 75 5.659 -6.492 -0.661 1.00 0.00 C ATOM 1832 O TYR C 75 4.601 -6.822 -1.199 1.00 0.00 O ATOM 1833 CB TYR C 75 5.442 -4.277 0.482 1.00 0.00 C ATOM 1834 CG TYR C 75 5.567 -3.447 1.746 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.938 -3.838 2.917 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.285 -2.257 1.751 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.013 -3.067 4.059 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.376 -1.476 2.902 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.732 -1.890 4.048 1.00 0.00 C ATOM 1840 OH TYR C 75 5.789 -1.117 5.187 1.00 0.00 O ATOM 0 H TYR C 75 7.656 -5.268 1.127 1.00 0.00 H new ATOM 0 HA TYR C 75 4.895 -6.169 1.323 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.152 -3.902 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.445 -4.135 0.066 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.379 -4.762 2.936 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.781 -1.932 0.848 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.509 -3.385 4.960 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.944 -0.558 2.896 1.00 0.00 H new ATOM 0 HH TYR C 75 5.889 -0.174 4.938 1.00 0.00 H new ATOM 1850 N ASN C 76 6.873 -6.713 -1.179 1.00 0.00 N ATOM 1851 CA ASN C 76 7.108 -7.546 -2.365 1.00 0.00 C ATOM 1852 C ASN C 76 6.388 -6.972 -3.584 1.00 0.00 C ATOM 1853 O ASN C 76 5.892 -7.700 -4.443 1.00 0.00 O ATOM 1854 CB ASN C 76 6.660 -8.988 -2.088 1.00 0.00 C ATOM 1855 CG ASN C 76 7.039 -9.966 -3.194 1.00 0.00 C ATOM 1856 OD1 ASN C 76 8.048 -9.794 -3.880 1.00 0.00 O ATOM 1857 ND2 ASN C 76 6.232 -11.001 -3.368 1.00 0.00 N ATOM 0 H ASN C 76 7.726 -6.316 -0.785 1.00 0.00 H new ATOM 0 HA ASN C 76 8.176 -7.550 -2.585 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.102 -9.324 -1.150 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.578 -9.005 -1.954 1.00 0.00 H new ATOM 0 HD21 ASN C 76 6.436 -11.691 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN C 76 5.406 -11.108 -2.779 1.00 0.00 H new ATOM 1864 N VAL C 77 6.357 -5.649 -3.660 1.00 0.00 N ATOM 1865 CA VAL C 77 5.615 -4.959 -4.721 1.00 0.00 C ATOM 1866 C VAL C 77 6.468 -4.700 -5.967 1.00 0.00 C ATOM 1867 O VAL C 77 6.187 -3.784 -6.741 1.00 0.00 O ATOM 1868 CB VAL C 77 5.037 -3.621 -4.218 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.032 -3.860 -3.106 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.145 -2.687 -3.744 1.00 0.00 C ATOM 0 H VAL C 77 6.833 -5.029 -3.005 1.00 0.00 H new ATOM 0 HA VAL C 77 4.802 -5.629 -5.000 1.00 0.00 H new ATOM 0 HB VAL C 77 4.526 -3.141 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.635 -2.905 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.217 -4.479 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.522 -4.368 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.708 -1.751 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.694 -3.158 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.827 -2.483 -4.570 1.00 0.00 H new ATOM 1880 N GLY C 78 7.491 -5.518 -6.166 1.00 0.00 N ATOM 1881 CA GLY C 78 8.378 -5.342 -7.282 1.00 0.00 C ATOM 1882 C GLY C 78 7.752 -5.712 -8.595 1.00 0.00 C ATOM 1883 O GLY C 78 7.725 -6.875 -9.006 1.00 0.00 O ATOM 0 H GLY C 78 7.719 -6.308 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.702 -4.302 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.271 -5.948 -7.128 1.00 0.00 H new ATOM 1887 N GLY C 79 7.240 -4.693 -9.229 1.00 0.00 N ATOM 1888 CA GLY C 79 6.686 -4.828 -10.563 1.00 0.00 C ATOM 1889 C GLY C 79 5.183 -5.036 -10.576 1.00 0.00 C ATOM 1890 O GLY C 79 4.617 -5.458 -11.581 1.00 0.00 O ATOM 0 H GLY C 79 7.191 -3.749 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY C 79 6.926 -3.935 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.166 -5.669 -11.064 1.00 0.00 H new ATOM 1894 N LYS C 80 4.543 -4.771 -9.454 1.00 0.00 N ATOM 1895 CA LYS C 80 3.097 -4.960 -9.319 1.00 0.00 C ATOM 1896 C LYS C 80 2.421 -3.625 -8.998 1.00 0.00 C ATOM 1897 O LYS C 80 3.046 -2.771 -8.375 1.00 0.00 O ATOM 1898 CB LYS C 80 2.827 -5.951 -8.188 1.00 0.00 C ATOM 1899 CG LYS C 80 3.648 -7.237 -8.261 1.00 0.00 C ATOM 1900 CD LYS C 80 3.372 -8.027 -9.532 1.00 0.00 C ATOM 1901 CE LYS C 80 4.125 -9.352 -9.545 1.00 0.00 C ATOM 1902 NZ LYS C 80 5.594 -9.175 -9.378 1.00 0.00 N ATOM 0 H LYS C 80 4.999 -4.421 -8.611 1.00 0.00 H new ATOM 0 HA LYS C 80 2.694 -5.345 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.029 -5.460 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS C 80 1.768 -6.210 -8.195 1.00 0.00 H new ATOM 0 HG2 LYS C 80 4.709 -6.991 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.424 -7.858 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.302 -8.215 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.663 -7.434 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS C 80 3.746 -9.989 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS C 80 3.929 -9.868 -10.485 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.097 -9.810 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 5.851 -8.189 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 5.862 -9.402 -8.399 1.00 0.00 H new ATOM 1916 N VAL C 81 1.161 -3.426 -9.422 1.00 0.00 N ATOM 1917 CA VAL C 81 0.469 -2.184 -9.067 1.00 0.00 C ATOM 1918 C VAL C 81 -0.134 -2.270 -7.673 1.00 0.00 C ATOM 1919 O VAL C 81 -0.884 -3.191 -7.334 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.612 -1.676 -10.066 1.00 0.00 C ATOM 1921 CG1 VAL C 81 -0.115 -1.579 -11.492 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.859 -2.494 -10.002 1.00 0.00 C ATOM 0 H VAL C 81 0.622 -4.082 -9.988 1.00 0.00 H new ATOM 0 HA VAL C 81 1.265 -1.440 -9.109 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.846 -0.662 -9.743 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.919 -1.219 -12.134 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.725 -0.885 -11.538 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.208 -2.563 -11.832 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.586 -2.105 -10.715 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.627 -3.530 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.275 -2.445 -8.996 1.00 0.00 H new ATOM 1932 N ILE C 82 0.257 -1.317 -6.857 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.313 -1.143 -5.542 1.00 0.00 C ATOM 1934 C ILE C 82 -1.618 -0.370 -5.668 1.00 0.00 C ATOM 1935 O ILE C 82 -1.928 0.137 -6.726 1.00 0.00 O ATOM 1936 CB ILE C 82 0.674 -0.401 -4.604 1.00 0.00 C ATOM 1937 CG1 ILE C 82 1.985 -1.125 -4.542 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.116 -0.224 -3.198 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.043 -0.376 -3.775 1.00 0.00 C ATOM 0 H ILE C 82 0.982 -0.639 -7.089 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.509 -2.121 -5.103 1.00 0.00 H new ATOM 0 HB ILE C 82 0.825 0.592 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.832 -2.100 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.341 -1.306 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.845 0.301 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.806 0.356 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.091 -1.202 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.966 -0.955 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.223 0.588 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.706 -0.218 -2.750 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.405 -0.333 -4.626 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.616 0.468 -4.614 1.00 0.00 C ATOM 1953 C HIS C 83 -3.494 1.498 -3.507 1.00 0.00 C ATOM 1954 O HIS C 83 -3.420 1.127 -2.338 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.816 -0.447 -4.334 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.921 -1.597 -5.290 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.486 -2.867 -4.976 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.386 -1.666 -6.559 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.675 -3.664 -6.011 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.222 -2.961 -6.984 1.00 0.00 N ATOM 0 H HIS C 83 -2.233 -0.850 -3.764 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.757 0.966 -5.573 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.740 -0.834 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.732 0.142 -4.383 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.808 -0.853 -7.131 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.424 -4.714 -6.054 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.481 -3.321 -7.903 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.450 2.773 -3.839 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.324 3.767 -2.795 1.00 0.00 C ATOM 1971 C LEU C 84 -4.543 4.638 -2.678 1.00 0.00 C ATOM 1972 O LEU C 84 -5.264 4.881 -3.639 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.100 4.617 -2.943 1.00 0.00 C ATOM 1974 CG LEU C 84 -2.000 5.405 -4.210 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -2.657 6.776 -4.080 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -0.549 5.511 -4.500 1.00 0.00 C ATOM 0 H LEU C 84 -3.498 3.136 -4.791 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.223 3.195 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.059 5.310 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -1.223 3.974 -2.868 1.00 0.00 H new ATOM 0 HG LEU C 84 -2.532 4.915 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -2.562 7.316 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -3.712 6.652 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -2.166 7.341 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -0.402 6.079 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -0.049 6.020 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -0.128 4.513 -4.619 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.731 5.098 -1.473 1.00 0.00 N ATOM 1989 CA VAL C 85 -5.878 5.908 -1.096 1.00 0.00 C ATOM 1990 C VAL C 85 -5.583 6.681 0.177 1.00 0.00 C ATOM 1991 O VAL C 85 -4.467 6.640 0.702 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.162 5.067 -0.876 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.976 4.967 -2.160 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.822 3.678 -0.348 1.00 0.00 C ATOM 0 H VAL C 85 -4.085 4.923 -0.704 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.057 6.589 -1.928 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.768 5.577 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.871 4.372 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.265 5.966 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -7.376 4.491 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -7.740 3.109 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -6.185 3.162 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.297 3.769 0.603 1.00 0.00 H new ATOM 2004 N GLU C 86 -6.594 7.372 0.669 1.00 0.00 N ATOM 2005 CA GLU C 86 -6.553 7.960 1.978 1.00 0.00 C ATOM 2006 C GLU C 86 -7.135 6.976 2.990 1.00 0.00 C ATOM 2007 O GLU C 86 -7.694 5.946 2.605 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.348 9.258 1.968 1.00 0.00 C ATOM 2009 CG GLU C 86 -8.618 9.192 1.133 1.00 0.00 C ATOM 2010 CD GLU C 86 -9.433 10.463 1.207 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -9.024 11.472 0.597 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -10.484 10.463 1.885 1.00 0.00 O ATOM 0 H GLU C 86 -7.465 7.537 0.164 1.00 0.00 H new ATOM 0 HA GLU C 86 -5.524 8.182 2.260 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -7.611 9.520 2.993 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -6.714 10.059 1.587 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -8.355 8.994 0.094 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -9.228 8.354 1.472 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.004 7.284 4.271 1.00 0.00 N ATOM 2020 CA ARG C 87 -7.496 6.415 5.322 1.00 0.00 C ATOM 2021 C ARG C 87 -9.006 6.537 5.480 1.00 0.00 C ATOM 2022 O ARG C 87 -9.655 7.333 4.798 1.00 0.00 O ATOM 2023 CB ARG C 87 -6.816 6.749 6.647 1.00 0.00 C ATOM 2024 CG ARG C 87 -5.304 6.814 6.553 1.00 0.00 C ATOM 2025 CD ARG C 87 -4.665 6.916 7.928 1.00 0.00 C ATOM 2026 NE ARG C 87 -5.120 5.850 8.819 1.00 0.00 N ATOM 2027 CZ ARG C 87 -4.487 5.478 9.929 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -3.361 6.076 10.294 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -4.992 4.511 10.681 1.00 0.00 N ATOM 0 H ARG C 87 -6.557 8.137 4.607 1.00 0.00 H new ATOM 0 HA ARG C 87 -7.260 5.389 5.040 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -7.191 7.707 7.007 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -7.094 5.999 7.388 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -4.932 5.926 6.042 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -5.012 7.674 5.950 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -3.581 6.869 7.829 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -4.903 7.884 8.368 1.00 0.00 H new ATOM 0 HE ARG C 87 -5.980 5.359 8.574 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -2.974 6.827 9.723 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -2.882 5.785 11.146 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -5.863 4.055 10.408 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -4.510 4.223 11.533 1.00 0.00 H new ATOM 2043 N ALA C 88 -9.553 5.731 6.376 1.00 0.00 N ATOM 2044 CA ALA C 88 -10.973 5.769 6.695 1.00 0.00 C ATOM 2045 C ALA C 88 -11.363 7.141 7.246 1.00 0.00 C ATOM 2046 O ALA C 88 -10.544 7.821 7.869 1.00 0.00 O ATOM 2047 CB ALA C 88 -11.312 4.674 7.695 1.00 0.00 C ATOM 0 H ALA C 88 -9.027 5.033 6.902 1.00 0.00 H new ATOM 0 HA ALA C 88 -11.542 5.596 5.782 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -12.376 4.710 7.928 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -11.067 3.702 7.267 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -10.736 4.824 8.608 1.00 0.00 H new ATOM 2053 N PRO C 89 -12.616 7.570 7.028 1.00 0.00 N ATOM 2054 CA PRO C 89 -13.057 8.892 7.434 1.00 0.00 C ATOM 2055 C PRO C 89 -13.391 8.961 8.918 1.00 0.00 C ATOM 2056 O PRO C 89 -14.064 8.083 9.462 1.00 0.00 O ATOM 2057 CB PRO C 89 -14.309 9.134 6.595 1.00 0.00 C ATOM 2058 CG PRO C 89 -14.818 7.782 6.221 1.00 0.00 C ATOM 2059 CD PRO C 89 -13.691 6.793 6.400 1.00 0.00 C ATOM 0 HA PRO C 89 -12.279 9.640 7.280 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -15.057 9.690 7.160 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -14.077 9.723 5.708 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -15.668 7.508 6.846 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -15.168 7.779 5.189 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -13.994 5.955 7.028 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -13.373 6.376 5.444 1.00 0.00 H new ATOM 2067 N PRO C 90 -12.943 10.026 9.589 1.00 0.00 N ATOM 2068 CA PRO C 90 -13.212 10.241 10.999 1.00 0.00 C ATOM 2069 C PRO C 90 -14.524 10.984 11.219 1.00 0.00 C ATOM 2070 O PRO C 90 -14.555 12.024 11.877 1.00 0.00 O ATOM 2071 CB PRO C 90 -12.027 11.099 11.432 1.00 0.00 C ATOM 2072 CG PRO C 90 -11.675 11.903 10.223 1.00 0.00 C ATOM 2073 CD PRO C 90 -12.117 11.105 9.020 1.00 0.00 C ATOM 0 HA PRO C 90 -13.316 9.312 11.559 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -12.290 11.742 12.272 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -11.189 10.482 11.754 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -12.172 12.873 10.246 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -10.603 12.095 10.186 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -12.687 11.718 8.322 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -11.264 10.707 8.470 1.00 0.00 H new ATOM 2081 N GLN C 91 -15.608 10.437 10.674 1.00 0.00 N ATOM 2082 CA GLN C 91 -16.916 11.088 10.744 1.00 0.00 C ATOM 2083 C GLN C 91 -17.435 11.110 12.180 1.00 0.00 C ATOM 2084 O GLN C 91 -18.362 11.847 12.510 1.00 0.00 O ATOM 2085 CB GLN C 91 -17.910 10.382 9.816 1.00 0.00 C ATOM 2086 CG GLN C 91 -18.418 9.042 10.339 1.00 0.00 C ATOM 2087 CD GLN C 91 -19.090 8.225 9.311 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -19.778 8.713 8.413 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -18.830 6.952 9.426 1.00 0.00 N ATOM 0 H GLN C 91 -15.608 9.545 10.179 1.00 0.00 H new ATOM 0 HA GLN C 91 -16.807 12.120 10.412 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -18.763 11.040 9.649 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -17.435 10.224 8.848 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -17.579 8.479 10.748 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -19.112 9.221 11.160 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -18.252 6.617 10.197 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -19.205 6.291 8.745 1.00 0.00 H new ATOM 2098 N THR C 92 -16.837 10.281 13.018 1.00 0.00 N ATOM 2099 CA THR C 92 -17.099 10.298 14.445 1.00 0.00 C ATOM 2100 C THR C 92 -15.790 10.020 15.185 1.00 0.00 C ATOM 2101 O THR C 92 -15.762 9.379 16.238 1.00 0.00 O ATOM 2102 CB THR C 92 -18.188 9.269 14.832 1.00 0.00 C ATOM 2103 OG1 THR C 92 -18.552 9.413 16.214 1.00 0.00 O ATOM 2104 CG2 THR C 92 -17.717 7.846 14.571 1.00 0.00 C ATOM 0 H THR C 92 -16.157 9.578 12.728 1.00 0.00 H new ATOM 0 HA THR C 92 -17.479 11.279 14.730 1.00 0.00 H new ATOM 0 HB THR C 92 -19.062 9.465 14.210 1.00 0.00 H new ATOM 0 HG1 THR C 92 -17.750 9.344 16.772 1.00 0.00 H new ATOM 0 HG21 THR C 92 -18.503 7.145 14.852 1.00 0.00 H new ATOM 0 HG22 THR C 92 -17.487 7.727 13.512 1.00 0.00 H new ATOM 0 HG23 THR C 92 -16.823 7.645 15.161 1.00 0.00 H new ATOM 2112 N HIS C 93 -14.706 10.545 14.607 1.00 0.00 N ATOM 2113 CA HIS C 93 -13.341 10.291 15.071 1.00 0.00 C ATOM 2114 C HIS C 93 -12.952 8.837 14.822 1.00 0.00 C ATOM 2115 O HIS C 93 -12.264 8.534 13.848 1.00 0.00 O ATOM 2116 CB HIS C 93 -13.169 10.660 16.542 1.00 0.00 C ATOM 2117 CG HIS C 93 -13.444 12.103 16.838 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -14.520 12.526 17.585 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -12.779 13.225 16.476 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -14.507 13.842 17.670 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -13.462 14.292 17.006 1.00 0.00 N ATOM 0 H HIS C 93 -14.753 11.163 13.797 1.00 0.00 H new ATOM 0 HA HIS C 93 -12.670 10.930 14.497 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -13.836 10.042 17.143 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -12.151 10.423 16.850 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -11.879 13.272 15.881 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -15.230 14.448 18.195 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -13.202 15.273 16.902 1.00 0.00 H new ATOM 2130 N LEU C 94 -13.415 7.942 15.680 1.00 0.00 N ATOM 2131 CA LEU C 94 -13.185 6.518 15.499 1.00 0.00 C ATOM 2132 C LEU C 94 -14.533 5.810 15.418 1.00 0.00 C ATOM 2133 O LEU C 94 -15.237 5.697 16.421 1.00 0.00 O ATOM 2134 CB LEU C 94 -12.346 5.963 16.652 1.00 0.00 C ATOM 2135 CG LEU C 94 -11.575 4.664 16.363 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -10.582 4.381 17.477 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -12.520 3.480 16.201 1.00 0.00 C ATOM 0 H LEU C 94 -13.955 8.178 16.512 1.00 0.00 H new ATOM 0 HA LEU C 94 -12.632 6.347 14.575 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -11.630 6.727 16.954 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -13.005 5.789 17.503 1.00 0.00 H new ATOM 0 HG LEU C 94 -11.037 4.801 15.425 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -10.044 3.459 17.259 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -9.873 5.206 17.551 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -11.115 4.275 18.422 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -11.942 2.578 15.998 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -13.094 3.344 17.118 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -13.201 3.669 15.371 1.00 0.00 H new ATOM 2149 N PRO C 95 -14.925 5.349 14.220 1.00 0.00 N ATOM 2150 CA PRO C 95 -16.218 4.695 14.015 1.00 0.00 C ATOM 2151 C PRO C 95 -16.328 3.384 14.779 1.00 0.00 C ATOM 2152 O PRO C 95 -15.741 2.372 14.391 1.00 0.00 O ATOM 2153 CB PRO C 95 -16.272 4.425 12.512 1.00 0.00 C ATOM 2154 CG PRO C 95 -15.188 5.256 11.911 1.00 0.00 C ATOM 2155 CD PRO C 95 -14.143 5.418 12.977 1.00 0.00 C ATOM 0 HA PRO C 95 -17.036 5.319 14.375 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -16.118 3.367 12.299 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -17.245 4.694 12.101 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -14.771 4.772 11.028 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -15.572 6.225 11.592 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -13.392 4.630 12.929 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -13.616 6.367 12.884 1.00 0.00 H new ATOM 2163 N SER C 96 -17.069 3.414 15.871 1.00 0.00 N ATOM 2164 CA SER C 96 -17.297 2.234 16.666 1.00 0.00 C ATOM 2165 C SER C 96 -18.237 1.282 15.934 1.00 0.00 C ATOM 2166 O SER C 96 -18.107 0.060 16.035 1.00 0.00 O ATOM 2167 CB SER C 96 -17.869 2.609 18.037 1.00 0.00 C ATOM 2168 OG SER C 96 -17.989 1.470 18.873 1.00 0.00 O ATOM 0 H SER C 96 -17.525 4.255 16.226 1.00 0.00 H new ATOM 0 HA SER C 96 -16.343 1.730 16.823 1.00 0.00 H new ATOM 0 HB2 SER C 96 -17.223 3.346 18.514 1.00 0.00 H new ATOM 0 HB3 SER C 96 -18.846 3.075 17.911 1.00 0.00 H new ATOM 0 HG SER C 96 -18.355 1.739 19.741 1.00 0.00 H new ATOM 2174 N GLY C 97 -19.172 1.851 15.184 1.00 0.00 N ATOM 2175 CA GLY C 97 -20.091 1.050 14.409 1.00 0.00 C ATOM 2176 C GLY C 97 -21.497 1.607 14.425 1.00 0.00 C ATOM 2177 O GLY C 97 -22.332 1.182 15.226 1.00 0.00 O ATOM 0 H GLY C 97 -19.308 2.858 15.100 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -19.738 0.991 13.379 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -20.102 0.033 14.801 1.00 0.00 H new ATOM 2181 N ALA C 98 -21.763 2.553 13.532 1.00 0.00 N ATOM 2182 CA ALA C 98 -23.071 3.193 13.448 1.00 0.00 C ATOM 2183 C ALA C 98 -24.154 2.187 13.076 1.00 0.00 C ATOM 2184 O ALA C 98 -25.308 2.327 13.471 1.00 0.00 O ATOM 2185 CB ALA C 98 -23.039 4.329 12.438 1.00 0.00 C ATOM 0 H ALA C 98 -21.085 2.896 12.851 1.00 0.00 H new ATOM 0 HA ALA C 98 -23.310 3.599 14.431 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -24.022 4.797 12.386 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -22.300 5.069 12.746 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -22.772 3.936 11.457 1.00 0.00 H new ATOM 2191 N SER C 99 -23.775 1.168 12.321 1.00 0.00 N ATOM 2192 CA SER C 99 -24.716 0.144 11.905 1.00 0.00 C ATOM 2193 C SER C 99 -24.400 -1.190 12.580 1.00 0.00 C ATOM 2194 O SER C 99 -24.824 -2.252 12.122 1.00 0.00 O ATOM 2195 CB SER C 99 -24.681 0.002 10.387 1.00 0.00 C ATOM 2196 OG SER C 99 -24.907 1.254 9.759 1.00 0.00 O ATOM 0 H SER C 99 -22.822 1.029 11.985 1.00 0.00 H new ATOM 0 HA SER C 99 -25.719 0.442 12.210 1.00 0.00 H new ATOM 0 HB2 SER C 99 -23.715 -0.397 10.077 1.00 0.00 H new ATOM 0 HB3 SER C 99 -25.439 -0.713 10.066 1.00 0.00 H new ATOM 0 HG SER C 99 -24.879 1.142 8.786 1.00 0.00 H new ATOM 2202 N SER C 100 -23.659 -1.128 13.677 1.00 0.00 N ATOM 2203 CA SER C 100 -23.256 -2.329 14.387 1.00 0.00 C ATOM 2204 C SER C 100 -24.173 -2.594 15.576 1.00 0.00 C ATOM 2205 O SER C 100 -24.054 -1.958 16.625 1.00 0.00 O ATOM 2206 CB SER C 100 -21.806 -2.197 14.855 1.00 0.00 C ATOM 2207 OG SER C 100 -20.958 -1.861 13.769 1.00 0.00 O ATOM 0 H SER C 100 -23.326 -0.258 14.093 1.00 0.00 H new ATOM 0 HA SER C 100 -23.335 -3.175 13.704 1.00 0.00 H new ATOM 0 HB2 SER C 100 -21.736 -1.432 15.628 1.00 0.00 H new ATOM 0 HB3 SER C 100 -21.477 -3.134 15.304 1.00 0.00 H new ATOM 0 HG SER C 100 -20.032 -2.086 13.995 1.00 0.00 H new ATOM 2213 N GLY C 101 -25.098 -3.521 15.395 1.00 0.00 N ATOM 2214 CA GLY C 101 -25.983 -3.907 16.466 1.00 0.00 C ATOM 2215 C GLY C 101 -25.401 -5.038 17.277 1.00 0.00 C ATOM 2216 O GLY C 101 -24.738 -4.765 18.297 1.00 0.00 O ATOM 2217 OXT GLY C 101 -25.567 -6.208 16.875 1.00 0.00 O ATOM 0 H GLY C 101 -25.251 -4.016 14.516 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -26.169 -3.050 17.114 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -26.946 -4.210 16.054 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.195 -2.422 -3.414 1.00 0.00 ZN