USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 83 ASN : amide:sc= -0.307 X(o=-0.28,f=-0.053) USER MOD Set 2.2: A 98 ASN : amide:sc= 0.0319 K(o=-0.28,f=-1.5) USER MOD Set 2.3: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.194 K(o=-0.19,f=-7.5!) USER MOD Set 3.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 ASN : amide:sc= 0.296 K(o=1.2,f=-1.7!) USER MOD Set 4.2: A 35 SER OG : rot 20:sc= 0.953 USER MOD Set 5.1: A 26 THR OG1 : rot -81:sc= 1.27 USER MOD Set 5.2: A 64 ASN : amide:sc= 0.868 K(o=2.1,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 21 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -138:sc= -0.088 (180deg=-3.42!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.924 K(o=0.92,f=-1.7) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0503 (180deg=-0.318) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 37 SER OG : rot -32:sc= 1.26 USER MOD Single : A 41 SER OG : rot 180:sc= -0.903 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.061) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00554 USER MOD Single : A 56 SER OG : rot -12:sc= 0.146 USER MOD Single : A 59 SER OG : rot -83:sc= 1.22 USER MOD Single : A 61 ASN : amide:sc= 0.248 K(o=0.25,f=-2.7) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00476 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 68 HIS : no HD1:sc= 0.431 K(o=0.43,f=-3.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.186 X(o=0.19,f=-0.074) USER MOD Single : A 91 ASN : amide:sc= -0.715 X(o=-0.72,f=-0.93) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 97 ASN : amide:sc= -2.55! C(o=-2.6!,f=-4.1!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 109 HIS : no HD1:sc=-0.00822 X(o=-0.0082,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0.985 K(o=1.9,f=-7.3!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.060 15.038 -8.443 1.00 0.00 N ATOM 2 CA MET A 1 -14.842 14.233 -8.684 1.00 0.00 C ATOM 3 C MET A 1 -14.464 13.442 -7.444 1.00 0.00 C ATOM 4 O MET A 1 -14.424 13.977 -6.336 1.00 0.00 O ATOM 5 CB MET A 1 -13.668 15.125 -9.098 1.00 0.00 C ATOM 6 CG MET A 1 -13.758 15.631 -10.526 1.00 0.00 C ATOM 7 SD MET A 1 -12.345 16.652 -10.989 1.00 0.00 S ATOM 8 CE MET A 1 -12.695 16.932 -12.723 1.00 0.00 C ATOM 0 H1 MET A 1 -16.300 15.570 -9.303 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.849 14.408 -8.194 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.888 15.702 -7.662 1.00 0.00 H new ATOM 0 HA MET A 1 -15.062 13.540 -9.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.616 15.979 -8.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.739 14.567 -8.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.826 14.781 -11.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.674 16.209 -10.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.910 17.551 -13.157 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.735 15.976 -13.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.654 17.440 -12.823 1.00 0.00 H new ATOM 20 N ILE A 2 -14.210 12.161 -7.637 1.00 0.00 N ATOM 21 CA ILE A 2 -13.752 11.294 -6.570 1.00 0.00 C ATOM 22 C ILE A 2 -12.329 10.819 -6.860 1.00 0.00 C ATOM 23 O ILE A 2 -11.973 10.589 -8.017 1.00 0.00 O ATOM 24 CB ILE A 2 -14.723 10.091 -6.408 1.00 0.00 C ATOM 25 CG1 ILE A 2 -15.615 10.290 -5.182 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.986 8.760 -6.320 1.00 0.00 C ATOM 27 CD1 ILE A 2 -16.712 9.255 -5.055 1.00 0.00 C ATOM 0 H ILE A 2 -14.316 11.694 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.741 11.849 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.345 10.055 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -14.996 10.263 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -16.066 11.281 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.708 7.951 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.406 8.605 -7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.317 8.771 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -17.304 9.460 -4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -17.355 9.296 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -16.268 8.262 -4.976 1.00 0.00 H new ATOM 39 N PRO A 3 -11.483 10.705 -5.829 1.00 0.00 N ATOM 40 CA PRO A 3 -10.166 10.107 -5.975 1.00 0.00 C ATOM 41 C PRO A 3 -10.237 8.588 -5.875 1.00 0.00 C ATOM 42 O PRO A 3 -11.165 8.040 -5.281 1.00 0.00 O ATOM 43 CB PRO A 3 -9.386 10.694 -4.801 1.00 0.00 C ATOM 44 CG PRO A 3 -10.409 10.969 -3.749 1.00 0.00 C ATOM 45 CD PRO A 3 -11.732 11.172 -4.453 1.00 0.00 C ATOM 0 HA PRO A 3 -9.709 10.315 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.630 9.996 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.865 11.606 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.471 10.138 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.140 11.854 -3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.529 10.601 -3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.036 12.219 -4.436 1.00 0.00 H new ATOM 53 N ASP A 4 -9.260 7.908 -6.436 1.00 0.00 N ATOM 54 CA ASP A 4 -9.251 6.461 -6.418 1.00 0.00 C ATOM 55 C ASP A 4 -7.841 5.991 -6.155 1.00 0.00 C ATOM 56 O ASP A 4 -6.948 6.195 -6.974 1.00 0.00 O ATOM 57 CB ASP A 4 -9.781 5.902 -7.742 1.00 0.00 C ATOM 58 CG ASP A 4 -9.934 4.392 -7.729 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.775 3.879 -6.957 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.228 3.716 -8.508 1.00 0.00 O ATOM 0 H ASP A 4 -8.463 8.333 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.906 6.097 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.746 6.358 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.104 6.186 -8.547 1.00 0.00 H new ATOM 65 N LEU A 5 -7.638 5.371 -5.013 1.00 0.00 N ATOM 66 CA LEU A 5 -6.303 5.012 -4.594 1.00 0.00 C ATOM 67 C LEU A 5 -6.074 3.551 -4.900 1.00 0.00 C ATOM 68 O LEU A 5 -6.863 2.698 -4.505 1.00 0.00 O ATOM 69 CB LEU A 5 -6.147 5.257 -3.089 1.00 0.00 C ATOM 70 CG LEU A 5 -6.591 6.640 -2.604 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.583 6.704 -1.087 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.690 7.717 -3.176 1.00 0.00 C ATOM 0 H LEU A 5 -8.377 5.107 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.573 5.621 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.720 4.500 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.100 5.114 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.609 6.812 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.902 7.695 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.266 5.955 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.575 6.509 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.020 8.693 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.664 7.542 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.738 7.691 -4.265 1.00 0.00 H new ATOM 84 N VAL A 6 -5.000 3.262 -5.607 1.00 0.00 N ATOM 85 CA VAL A 6 -4.743 1.902 -6.021 1.00 0.00 C ATOM 86 C VAL A 6 -3.366 1.462 -5.556 1.00 0.00 C ATOM 87 O VAL A 6 -2.407 2.229 -5.628 1.00 0.00 O ATOM 88 CB VAL A 6 -4.794 1.795 -7.568 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.847 0.342 -8.017 1.00 0.00 C ATOM 90 CG2 VAL A 6 -5.966 2.585 -8.142 1.00 0.00 C ATOM 0 H VAL A 6 -4.300 3.943 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.506 1.263 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.875 2.234 -7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.882 0.299 -9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.959 -0.181 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.738 -0.134 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.973 2.489 -9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.900 2.195 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.864 3.636 -7.871 1.00 0.00 H new ATOM 100 N PRO A 7 -3.244 0.215 -5.102 1.00 0.00 N ATOM 101 CA PRO A 7 -1.975 -0.432 -4.882 1.00 0.00 C ATOM 102 C PRO A 7 -1.617 -1.285 -6.090 1.00 0.00 C ATOM 103 O PRO A 7 -2.108 -2.402 -6.253 1.00 0.00 O ATOM 104 CB PRO A 7 -2.237 -1.290 -3.638 1.00 0.00 C ATOM 105 CG PRO A 7 -3.735 -1.349 -3.481 1.00 0.00 C ATOM 106 CD PRO A 7 -4.335 -0.656 -4.677 1.00 0.00 C ATOM 0 HA PRO A 7 -1.140 0.255 -4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.818 -2.289 -3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.769 -0.852 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.076 -2.383 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.045 -0.860 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.621 -1.362 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.230 -0.091 -4.415 1.00 0.00 H new ATOM 114 N VAL A 8 -0.786 -0.734 -6.954 1.00 0.00 N ATOM 115 CA VAL A 8 -0.560 -1.316 -8.270 1.00 0.00 C ATOM 116 C VAL A 8 0.418 -2.482 -8.232 1.00 0.00 C ATOM 117 O VAL A 8 0.331 -3.392 -9.056 1.00 0.00 O ATOM 118 CB VAL A 8 -0.074 -0.256 -9.286 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.169 0.767 -9.553 1.00 0.00 C ATOM 120 CG2 VAL A 8 1.191 0.438 -8.799 1.00 0.00 C ATOM 0 H VAL A 8 -0.254 0.117 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.526 -1.700 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 8 0.162 -0.770 -10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.810 1.505 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.046 0.263 -9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.436 1.266 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.507 1.177 -9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.991 0.934 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.982 -0.300 -8.663 1.00 0.00 H new ATOM 130 N SER A 9 1.334 -2.473 -7.273 1.00 0.00 N ATOM 131 CA SER A 9 2.347 -3.511 -7.197 1.00 0.00 C ATOM 132 C SER A 9 3.052 -3.494 -5.846 1.00 0.00 C ATOM 133 O SER A 9 3.026 -2.485 -5.130 1.00 0.00 O ATOM 134 CB SER A 9 3.368 -3.322 -8.325 1.00 0.00 C ATOM 135 OG SER A 9 4.278 -4.405 -8.393 1.00 0.00 O ATOM 0 H SER A 9 1.395 -1.763 -6.543 1.00 0.00 H new ATOM 0 HA SER A 9 1.856 -4.478 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.845 -3.225 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.917 -2.394 -8.167 1.00 0.00 H new ATOM 0 HG SER A 9 4.913 -4.253 -9.123 1.00 0.00 H new ATOM 141 N LEU A 10 3.659 -4.622 -5.502 1.00 0.00 N ATOM 142 CA LEU A 10 4.459 -4.743 -4.297 1.00 0.00 C ATOM 143 C LEU A 10 5.831 -5.304 -4.657 1.00 0.00 C ATOM 144 O LEU A 10 5.938 -6.340 -5.313 1.00 0.00 O ATOM 145 CB LEU A 10 3.736 -5.661 -3.300 1.00 0.00 C ATOM 146 CG LEU A 10 4.556 -6.147 -2.099 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.994 -4.989 -1.219 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.747 -7.143 -1.286 1.00 0.00 C ATOM 0 H LEU A 10 3.609 -5.479 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 10 4.595 -3.765 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.860 -5.133 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.374 -6.535 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 10 5.453 -6.635 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.573 -5.370 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.609 -4.302 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.115 -4.463 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.337 -7.483 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.835 -6.665 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.487 -7.997 -1.911 1.00 0.00 H new ATOM 160 N THR A 11 6.869 -4.603 -4.242 1.00 0.00 N ATOM 161 CA THR A 11 8.237 -5.016 -4.498 1.00 0.00 C ATOM 162 C THR A 11 9.003 -5.175 -3.189 1.00 0.00 C ATOM 163 O THR A 11 8.952 -4.292 -2.334 1.00 0.00 O ATOM 164 CB THR A 11 8.970 -4.021 -5.414 1.00 0.00 C ATOM 165 OG1 THR A 11 8.940 -2.708 -4.838 1.00 0.00 O ATOM 166 CG2 THR A 11 8.337 -3.983 -6.797 1.00 0.00 C ATOM 0 H THR A 11 6.788 -3.732 -3.718 1.00 0.00 H new ATOM 0 HA THR A 11 8.195 -5.978 -5.009 1.00 0.00 H new ATOM 0 HB THR A 11 10.003 -4.353 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.410 -2.082 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.875 -3.272 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.387 -4.974 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.295 -3.676 -6.712 1.00 0.00 H new ATOM 174 N PRO A 12 9.713 -6.292 -3.000 1.00 0.00 N ATOM 175 CA PRO A 12 9.831 -7.352 -3.990 1.00 0.00 C ATOM 176 C PRO A 12 8.775 -8.440 -3.825 1.00 0.00 C ATOM 177 O PRO A 12 7.984 -8.420 -2.882 1.00 0.00 O ATOM 178 CB PRO A 12 11.224 -7.904 -3.701 1.00 0.00 C ATOM 179 CG PRO A 12 11.437 -7.690 -2.233 1.00 0.00 C ATOM 180 CD PRO A 12 10.491 -6.600 -1.792 1.00 0.00 C ATOM 0 HA PRO A 12 9.686 -6.991 -5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.289 -8.961 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.982 -7.386 -4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.247 -8.610 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.470 -7.405 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.848 -6.935 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.031 -5.725 -1.432 1.00 0.00 H new ATOM 188 N VAL A 13 8.762 -9.382 -4.756 1.00 0.00 N ATOM 189 CA VAL A 13 7.825 -10.495 -4.698 1.00 0.00 C ATOM 190 C VAL A 13 8.438 -11.675 -3.946 1.00 0.00 C ATOM 191 O VAL A 13 7.766 -12.656 -3.640 1.00 0.00 O ATOM 192 CB VAL A 13 7.390 -10.938 -6.112 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.819 -9.755 -6.882 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.550 -11.568 -6.872 1.00 0.00 C ATOM 0 H VAL A 13 9.389 -9.398 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 13 6.940 -10.153 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 13 6.612 -11.695 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.516 -10.081 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.954 -9.359 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.578 -8.978 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.214 -11.870 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.359 -10.843 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.909 -12.442 -6.329 1.00 0.00 H new ATOM 204 N THR A 14 9.731 -11.579 -3.681 1.00 0.00 N ATOM 205 CA THR A 14 10.430 -12.558 -2.878 1.00 0.00 C ATOM 206 C THR A 14 11.036 -11.892 -1.647 1.00 0.00 C ATOM 207 O THR A 14 11.384 -10.714 -1.691 1.00 0.00 O ATOM 208 CB THR A 14 11.526 -13.251 -3.698 1.00 0.00 C ATOM 209 OG1 THR A 14 12.042 -12.347 -4.685 1.00 0.00 O ATOM 210 CG2 THR A 14 10.996 -14.507 -4.375 1.00 0.00 C ATOM 0 H THR A 14 10.322 -10.819 -4.018 1.00 0.00 H new ATOM 0 HA THR A 14 9.713 -13.313 -2.556 1.00 0.00 H new ATOM 0 HB THR A 14 12.326 -13.543 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.742 -12.795 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.795 -14.976 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.635 -15.204 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.177 -14.242 -5.044 1.00 0.00 H new ATOM 218 N VAL A 15 11.183 -12.636 -0.556 1.00 0.00 N ATOM 219 CA VAL A 15 11.673 -12.058 0.690 1.00 0.00 C ATOM 220 C VAL A 15 12.578 -13.024 1.444 1.00 0.00 C ATOM 221 O VAL A 15 12.524 -14.239 1.243 1.00 0.00 O ATOM 222 CB VAL A 15 10.505 -11.663 1.626 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.722 -10.489 1.065 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.582 -12.849 1.864 1.00 0.00 C ATOM 0 H VAL A 15 10.972 -13.633 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 15 12.241 -11.171 0.409 1.00 0.00 H new ATOM 0 HB VAL A 15 10.934 -11.358 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.909 -10.236 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.384 -9.630 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.311 -10.758 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.768 -12.550 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.172 -13.187 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.144 -13.661 2.326 1.00 0.00 H new ATOM 234 N VAL A 16 13.422 -12.464 2.300 1.00 0.00 N ATOM 235 CA VAL A 16 14.339 -13.251 3.111 1.00 0.00 C ATOM 236 C VAL A 16 13.778 -13.431 4.522 1.00 0.00 C ATOM 237 O VAL A 16 13.351 -12.461 5.146 1.00 0.00 O ATOM 238 CB VAL A 16 15.724 -12.566 3.192 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.744 -13.464 3.872 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.206 -12.163 1.806 1.00 0.00 C ATOM 0 H VAL A 16 13.490 -11.458 2.451 1.00 0.00 H new ATOM 0 HA VAL A 16 14.454 -14.227 2.640 1.00 0.00 H new ATOM 0 HB VAL A 16 15.615 -11.665 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.707 -12.955 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.410 -13.692 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.848 -14.390 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.181 -11.683 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.288 -13.050 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.494 -11.467 1.361 1.00 0.00 H new ATOM 250 N PRO A 17 13.779 -14.664 5.053 1.00 0.00 N ATOM 251 CA PRO A 17 13.325 -14.941 6.415 1.00 0.00 C ATOM 252 C PRO A 17 14.465 -14.908 7.434 1.00 0.00 C ATOM 253 O PRO A 17 14.299 -15.309 8.585 1.00 0.00 O ATOM 254 CB PRO A 17 12.762 -16.353 6.281 1.00 0.00 C ATOM 255 CG PRO A 17 13.613 -17.007 5.236 1.00 0.00 C ATOM 256 CD PRO A 17 14.173 -15.904 4.360 1.00 0.00 C ATOM 0 HA PRO A 17 12.613 -14.201 6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.814 -16.891 7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.714 -16.334 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.418 -17.578 5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.025 -17.708 4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.256 -15.981 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.760 -15.946 3.352 1.00 0.00 H new ATOM 264 N ASN A 18 15.620 -14.417 7.003 1.00 0.00 N ATOM 265 CA ASN A 18 16.818 -14.424 7.840 1.00 0.00 C ATOM 266 C ASN A 18 17.058 -13.057 8.467 1.00 0.00 C ATOM 267 O ASN A 18 17.850 -12.920 9.398 1.00 0.00 O ATOM 268 CB ASN A 18 18.046 -14.817 7.011 1.00 0.00 C ATOM 269 CG ASN A 18 17.894 -16.157 6.317 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.235 -17.068 6.817 1.00 0.00 O ATOM 271 ND2 ASN A 18 18.502 -16.285 5.149 1.00 0.00 N ATOM 0 H ASN A 18 15.755 -14.008 6.078 1.00 0.00 H new ATOM 0 HA ASN A 18 16.661 -15.154 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.233 -14.047 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 18 18.920 -14.849 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.433 -17.161 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 18 19.040 -15.507 4.766 1.00 0.00 H new ATOM 278 N THR A 19 16.372 -12.049 7.955 1.00 0.00 N ATOM 279 CA THR A 19 16.582 -10.680 8.394 1.00 0.00 C ATOM 280 C THR A 19 15.356 -9.843 8.055 1.00 0.00 C ATOM 281 O THR A 19 14.431 -10.334 7.400 1.00 0.00 O ATOM 282 CB THR A 19 17.844 -10.074 7.726 1.00 0.00 C ATOM 283 OG1 THR A 19 18.099 -8.749 8.222 1.00 0.00 O ATOM 284 CG2 THR A 19 17.691 -10.032 6.210 1.00 0.00 C ATOM 0 H THR A 19 15.661 -12.154 7.231 1.00 0.00 H new ATOM 0 HA THR A 19 16.736 -10.678 9.473 1.00 0.00 H new ATOM 0 HB THR A 19 18.689 -10.715 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.900 -8.386 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 19 18.589 -9.603 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.546 -11.044 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.828 -9.419 5.948 1.00 0.00 H new ATOM 292 N VAL A 20 15.336 -8.596 8.506 1.00 0.00 N ATOM 293 CA VAL A 20 14.247 -7.703 8.169 1.00 0.00 C ATOM 294 C VAL A 20 14.314 -7.345 6.692 1.00 0.00 C ATOM 295 O VAL A 20 15.369 -7.008 6.157 1.00 0.00 O ATOM 296 CB VAL A 20 14.240 -6.415 9.023 1.00 0.00 C ATOM 297 CG1 VAL A 20 13.047 -5.536 8.663 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.208 -6.757 10.501 1.00 0.00 C ATOM 0 H VAL A 20 16.057 -8.187 9.101 1.00 0.00 H new ATOM 0 HA VAL A 20 13.320 -8.233 8.386 1.00 0.00 H new ATOM 0 HB VAL A 20 15.155 -5.862 8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.061 -4.635 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.103 -5.260 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.123 -6.084 8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.203 -5.838 11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.309 -7.333 10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.088 -7.346 10.757 1.00 0.00 H new ATOM 308 N ASN A 21 13.175 -7.436 6.057 1.00 0.00 N ATOM 309 CA ASN A 21 13.033 -7.222 4.633 1.00 0.00 C ATOM 310 C ASN A 21 12.189 -5.987 4.404 1.00 0.00 C ATOM 311 O ASN A 21 11.169 -5.795 5.068 1.00 0.00 O ATOM 312 CB ASN A 21 12.438 -8.445 3.926 1.00 0.00 C ATOM 313 CG ASN A 21 11.091 -8.851 4.476 1.00 0.00 C ATOM 314 OD1 ASN A 21 10.060 -8.352 4.046 1.00 0.00 O ATOM 315 ND2 ASN A 21 11.093 -9.780 5.418 1.00 0.00 N ATOM 0 H ASN A 21 12.297 -7.666 6.523 1.00 0.00 H new ATOM 0 HA ASN A 21 14.022 -7.071 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.339 -8.230 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.129 -9.283 4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.212 -10.107 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.976 -10.170 5.748 1.00 0.00 H new ATOM 322 N THR A 22 12.626 -5.115 3.518 1.00 0.00 N ATOM 323 CA THR A 22 11.997 -3.822 3.399 1.00 0.00 C ATOM 324 C THR A 22 11.196 -3.787 2.108 1.00 0.00 C ATOM 325 O THR A 22 11.716 -3.945 1.004 1.00 0.00 O ATOM 326 CB THR A 22 13.055 -2.698 3.395 1.00 0.00 C ATOM 327 OG1 THR A 22 13.967 -2.888 4.486 1.00 0.00 O ATOM 328 CG2 THR A 22 12.406 -1.330 3.512 1.00 0.00 C ATOM 0 H THR A 22 13.404 -5.278 2.879 1.00 0.00 H new ATOM 0 HA THR A 22 11.338 -3.661 4.252 1.00 0.00 H new ATOM 0 HB THR A 22 13.593 -2.743 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.638 -2.174 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.177 -0.560 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.731 -1.174 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.843 -1.273 4.444 1.00 0.00 H new ATOM 336 N MET A 23 9.905 -3.594 2.310 1.00 0.00 N ATOM 337 CA MET A 23 8.879 -3.871 1.322 1.00 0.00 C ATOM 338 C MET A 23 8.289 -2.586 0.786 1.00 0.00 C ATOM 339 O MET A 23 7.798 -1.758 1.548 1.00 0.00 O ATOM 340 CB MET A 23 7.776 -4.740 1.933 1.00 0.00 C ATOM 341 CG MET A 23 8.272 -6.089 2.431 1.00 0.00 C ATOM 342 SD MET A 23 8.901 -7.132 1.104 1.00 0.00 S ATOM 343 CE MET A 23 7.401 -7.453 0.182 1.00 0.00 C ATOM 0 H MET A 23 9.532 -3.231 3.187 1.00 0.00 H new ATOM 0 HA MET A 23 9.339 -4.411 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.318 -4.201 2.763 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.997 -4.901 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.059 -5.932 3.168 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.458 -6.606 2.939 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.376 -8.501 -0.118 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.536 -7.234 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.377 -6.821 -0.705 1.00 0.00 H new ATOM 353 N THR A 24 8.342 -2.411 -0.515 1.00 0.00 N ATOM 354 CA THR A 24 7.873 -1.184 -1.107 1.00 0.00 C ATOM 355 C THR A 24 6.616 -1.453 -1.924 1.00 0.00 C ATOM 356 O THR A 24 6.591 -2.298 -2.819 1.00 0.00 O ATOM 357 CB THR A 24 8.957 -0.569 -2.014 1.00 0.00 C ATOM 358 OG1 THR A 24 10.197 -0.495 -1.300 1.00 0.00 O ATOM 359 CG2 THR A 24 8.556 0.822 -2.482 1.00 0.00 C ATOM 0 H THR A 24 8.703 -3.098 -1.177 1.00 0.00 H new ATOM 0 HA THR A 24 7.645 -0.479 -0.307 1.00 0.00 H new ATOM 0 HB THR A 24 9.071 -1.207 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.885 -0.105 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.339 1.231 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.624 0.762 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.417 1.471 -1.617 1.00 0.00 H new ATOM 367 N ALA A 25 5.581 -0.713 -1.578 1.00 0.00 N ATOM 368 CA ALA A 25 4.260 -0.853 -2.147 1.00 0.00 C ATOM 369 C ALA A 25 3.886 0.450 -2.813 1.00 0.00 C ATOM 370 O ALA A 25 4.063 1.513 -2.224 1.00 0.00 O ATOM 371 CB ALA A 25 3.248 -1.220 -1.071 1.00 0.00 C ATOM 0 H ALA A 25 5.640 0.022 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 25 4.258 -1.656 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.260 -1.321 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.535 -2.165 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.224 -0.438 -0.312 1.00 0.00 H new ATOM 377 N THR A 26 3.388 0.394 -4.027 1.00 0.00 N ATOM 378 CA THR A 26 3.237 1.601 -4.809 1.00 0.00 C ATOM 379 C THR A 26 1.765 1.911 -5.009 1.00 0.00 C ATOM 380 O THR A 26 0.996 1.109 -5.548 1.00 0.00 O ATOM 381 CB THR A 26 3.918 1.451 -6.185 1.00 0.00 C ATOM 382 OG1 THR A 26 5.288 1.071 -6.009 1.00 0.00 O ATOM 383 CG2 THR A 26 3.844 2.747 -6.981 1.00 0.00 C ATOM 0 H THR A 26 3.084 -0.462 -4.490 1.00 0.00 H new ATOM 0 HA THR A 26 3.713 2.418 -4.267 1.00 0.00 H new ATOM 0 HB THR A 26 3.390 0.677 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.825 1.866 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.332 2.610 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.800 3.018 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.347 3.542 -6.430 1.00 0.00 H new ATOM 391 N ILE A 27 1.394 3.094 -4.538 1.00 0.00 N ATOM 392 CA ILE A 27 0.012 3.517 -4.476 1.00 0.00 C ATOM 393 C ILE A 27 -0.180 4.721 -5.378 1.00 0.00 C ATOM 394 O ILE A 27 0.467 5.752 -5.192 1.00 0.00 O ATOM 395 CB ILE A 27 -0.391 3.915 -3.033 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.217 2.954 -1.996 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.904 3.962 -2.891 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.201 1.507 -2.153 1.00 0.00 C ATOM 0 H ILE A 27 2.053 3.789 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.613 2.684 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 27 0.008 4.911 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.304 3.013 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.063 3.293 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.165 4.243 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.312 4.696 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.321 2.980 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.276 0.905 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.284 1.429 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.104 1.145 -3.135 1.00 0.00 H new ATOM 410 N GLU A 28 -1.049 4.588 -6.358 1.00 0.00 N ATOM 411 CA GLU A 28 -1.276 5.654 -7.315 1.00 0.00 C ATOM 412 C GLU A 28 -2.722 6.115 -7.248 1.00 0.00 C ATOM 413 O GLU A 28 -3.643 5.298 -7.286 1.00 0.00 O ATOM 414 CB GLU A 28 -0.920 5.176 -8.728 1.00 0.00 C ATOM 415 CG GLU A 28 -0.973 6.271 -9.782 1.00 0.00 C ATOM 416 CD GLU A 28 -0.454 5.808 -11.129 1.00 0.00 C ATOM 417 OE1 GLU A 28 -1.255 5.306 -11.945 1.00 0.00 O ATOM 418 OE2 GLU A 28 0.762 5.945 -11.380 1.00 0.00 O ATOM 0 H GLU A 28 -1.611 3.751 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.635 6.500 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.082 4.747 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.604 4.377 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.001 6.615 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.385 7.125 -9.444 1.00 0.00 H new ATOM 425 N ASN A 29 -2.918 7.419 -7.112 1.00 0.00 N ATOM 426 CA ASN A 29 -4.257 7.986 -7.096 1.00 0.00 C ATOM 427 C ASN A 29 -4.736 8.198 -8.522 1.00 0.00 C ATOM 428 O ASN A 29 -4.437 9.217 -9.151 1.00 0.00 O ATOM 429 CB ASN A 29 -4.289 9.302 -6.311 1.00 0.00 C ATOM 430 CG ASN A 29 -5.647 9.984 -6.349 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.686 9.342 -6.514 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.648 11.297 -6.183 1.00 0.00 N ATOM 0 H ASN A 29 -2.167 8.102 -7.011 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.928 7.288 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.016 9.107 -5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.537 9.979 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.529 11.811 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.768 11.795 -6.049 1.00 0.00 H new ATOM 439 N GLN A 30 -5.469 7.221 -9.025 1.00 0.00 N ATOM 440 CA GLN A 30 -5.903 7.219 -10.410 1.00 0.00 C ATOM 441 C GLN A 30 -7.305 7.795 -10.521 1.00 0.00 C ATOM 442 O GLN A 30 -8.228 7.157 -11.029 1.00 0.00 O ATOM 443 CB GLN A 30 -5.844 5.800 -10.976 1.00 0.00 C ATOM 444 CG GLN A 30 -4.460 5.182 -10.869 1.00 0.00 C ATOM 445 CD GLN A 30 -4.383 3.785 -11.449 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.362 3.043 -11.453 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.211 3.418 -11.938 1.00 0.00 N ATOM 0 H GLN A 30 -5.779 6.411 -8.488 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.232 7.847 -10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.560 5.172 -10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.149 5.818 -12.022 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.743 5.822 -11.383 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.164 5.150 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.423 4.066 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.094 2.487 -12.338 1.00 0.00 H new ATOM 456 N GLY A 31 -7.443 9.018 -10.041 1.00 0.00 N ATOM 457 CA GLY A 31 -8.706 9.712 -10.094 1.00 0.00 C ATOM 458 C GLY A 31 -8.494 11.186 -10.339 1.00 0.00 C ATOM 459 O GLY A 31 -7.367 11.674 -10.249 1.00 0.00 O ATOM 0 H GLY A 31 -6.687 9.549 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.325 9.292 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.246 9.568 -9.158 1.00 0.00 H new ATOM 463 N ASN A 32 -9.565 11.896 -10.651 1.00 0.00 N ATOM 464 CA ASN A 32 -9.464 13.301 -11.027 1.00 0.00 C ATOM 465 C ASN A 32 -9.221 14.195 -9.815 1.00 0.00 C ATOM 466 O ASN A 32 -8.710 15.308 -9.951 1.00 0.00 O ATOM 467 CB ASN A 32 -10.729 13.753 -11.762 1.00 0.00 C ATOM 468 CG ASN A 32 -10.855 13.147 -13.148 1.00 0.00 C ATOM 469 OD1 ASN A 32 -10.367 13.707 -14.127 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.513 12.003 -13.242 1.00 0.00 N ATOM 0 H ASN A 32 -10.515 11.525 -10.652 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.607 13.397 -11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.603 13.481 -11.171 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.726 14.840 -11.845 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.630 11.555 -14.151 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.904 11.569 -12.406 1.00 0.00 H new ATOM 477 N LYS A 33 -9.563 13.704 -8.632 1.00 0.00 N ATOM 478 CA LYS A 33 -9.425 14.499 -7.421 1.00 0.00 C ATOM 479 C LYS A 33 -8.175 14.097 -6.641 1.00 0.00 C ATOM 480 O LYS A 33 -7.853 12.914 -6.527 1.00 0.00 O ATOM 481 CB LYS A 33 -10.674 14.355 -6.546 1.00 0.00 C ATOM 482 CG LYS A 33 -10.664 15.249 -5.317 1.00 0.00 C ATOM 483 CD LYS A 33 -11.996 15.221 -4.588 1.00 0.00 C ATOM 484 CE LYS A 33 -11.989 16.140 -3.375 1.00 0.00 C ATOM 485 NZ LYS A 33 -11.666 17.547 -3.737 1.00 0.00 N ATOM 0 H LYS A 33 -9.935 12.766 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.319 15.545 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.555 14.585 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.767 13.316 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.872 14.927 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.434 16.272 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.791 15.523 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.217 14.202 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.965 16.106 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.260 15.777 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.917 18.175 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.648 17.630 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.207 17.821 -4.582 1.00 0.00 H new ATOM 499 N ASP A 34 -7.472 15.096 -6.124 1.00 0.00 N ATOM 500 CA ASP A 34 -6.253 14.878 -5.349 1.00 0.00 C ATOM 501 C ASP A 34 -6.614 14.408 -3.940 1.00 0.00 C ATOM 502 O ASP A 34 -7.581 14.895 -3.351 1.00 0.00 O ATOM 503 CB ASP A 34 -5.446 16.180 -5.292 1.00 0.00 C ATOM 504 CG ASP A 34 -3.955 15.956 -5.145 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.472 15.831 -4.005 1.00 0.00 O ATOM 506 OD2 ASP A 34 -3.253 15.919 -6.182 1.00 0.00 O ATOM 0 H ASP A 34 -7.728 16.078 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.647 14.108 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.632 16.754 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.800 16.782 -4.455 1.00 0.00 H new ATOM 511 N SER A 35 -5.860 13.459 -3.404 1.00 0.00 N ATOM 512 CA SER A 35 -6.183 12.884 -2.104 1.00 0.00 C ATOM 513 C SER A 35 -5.236 13.384 -1.016 1.00 0.00 C ATOM 514 O SER A 35 -4.110 13.796 -1.295 1.00 0.00 O ATOM 515 CB SER A 35 -6.159 11.356 -2.180 1.00 0.00 C ATOM 516 OG SER A 35 -4.980 10.889 -2.813 1.00 0.00 O ATOM 0 H SER A 35 -5.025 13.072 -3.845 1.00 0.00 H new ATOM 0 HA SER A 35 -7.188 13.208 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.224 10.939 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.033 11.004 -2.728 1.00 0.00 H new ATOM 0 HG SER A 35 -4.294 11.588 -2.784 1.00 0.00 H new ATOM 522 N THR A 36 -5.707 13.345 0.224 1.00 0.00 N ATOM 523 CA THR A 36 -4.948 13.846 1.360 1.00 0.00 C ATOM 524 C THR A 36 -4.252 12.704 2.111 1.00 0.00 C ATOM 525 O THR A 36 -4.058 11.621 1.552 1.00 0.00 O ATOM 526 CB THR A 36 -5.885 14.627 2.306 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.102 13.893 2.512 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.205 15.997 1.730 1.00 0.00 C ATOM 0 H THR A 36 -6.622 12.967 0.469 1.00 0.00 H new ATOM 0 HA THR A 36 -4.172 14.516 0.990 1.00 0.00 H new ATOM 0 HB THR A 36 -5.377 14.758 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.689 14.396 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.867 16.532 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.282 16.562 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.696 15.880 0.764 1.00 0.00 H new ATOM 536 N SER A 37 -3.851 12.966 3.357 1.00 0.00 N ATOM 537 CA SER A 37 -3.203 11.968 4.202 1.00 0.00 C ATOM 538 C SER A 37 -4.037 10.691 4.307 1.00 0.00 C ATOM 539 O SER A 37 -5.254 10.744 4.478 1.00 0.00 O ATOM 540 CB SER A 37 -2.984 12.549 5.600 1.00 0.00 C ATOM 541 OG SER A 37 -2.392 13.837 5.531 1.00 0.00 O ATOM 0 H SER A 37 -3.967 13.875 3.805 1.00 0.00 H new ATOM 0 HA SER A 37 -2.247 11.710 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.937 12.611 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.345 11.882 6.178 1.00 0.00 H new ATOM 0 HG SER A 37 -1.800 13.883 4.752 1.00 0.00 H new ATOM 547 N PHE A 38 -3.368 9.553 4.201 1.00 0.00 N ATOM 548 CA PHE A 38 -4.025 8.261 4.325 1.00 0.00 C ATOM 549 C PHE A 38 -3.041 7.250 4.907 1.00 0.00 C ATOM 550 O PHE A 38 -1.838 7.339 4.664 1.00 0.00 O ATOM 551 CB PHE A 38 -4.551 7.791 2.960 1.00 0.00 C ATOM 552 CG PHE A 38 -3.469 7.425 1.981 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.698 8.398 1.365 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.219 6.099 1.688 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.700 8.048 0.476 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.222 5.746 0.805 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.462 6.716 0.200 1.00 0.00 C ATOM 0 H PHE A 38 -2.364 9.498 4.028 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.879 8.352 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.199 6.927 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.166 8.580 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.879 9.440 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.813 5.328 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.108 8.814 -0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.038 4.704 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.679 6.438 -0.490 1.00 0.00 H new ATOM 567 N ASN A 39 -3.541 6.306 5.685 1.00 0.00 N ATOM 568 CA ASN A 39 -2.677 5.340 6.359 1.00 0.00 C ATOM 569 C ASN A 39 -2.679 4.007 5.618 1.00 0.00 C ATOM 570 O ASN A 39 -3.730 3.424 5.395 1.00 0.00 O ATOM 571 CB ASN A 39 -3.150 5.139 7.802 1.00 0.00 C ATOM 572 CG ASN A 39 -2.124 4.445 8.677 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.291 3.678 8.200 1.00 0.00 O ATOM 574 ND2 ASN A 39 -2.178 4.714 9.972 1.00 0.00 N ATOM 0 H ASN A 39 -4.537 6.184 5.868 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.659 5.729 6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.392 6.109 8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.069 4.554 7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.513 4.279 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.884 5.357 10.330 1.00 0.00 H new ATOM 581 N VAL A 40 -1.508 3.512 5.254 1.00 0.00 N ATOM 582 CA VAL A 40 -1.414 2.255 4.528 1.00 0.00 C ATOM 583 C VAL A 40 -0.784 1.189 5.412 1.00 0.00 C ATOM 584 O VAL A 40 0.276 1.397 6.006 1.00 0.00 O ATOM 585 CB VAL A 40 -0.643 2.416 3.188 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.006 1.110 2.741 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.588 2.902 2.110 1.00 0.00 C ATOM 0 H VAL A 40 -0.612 3.959 5.448 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.423 1.936 4.268 1.00 0.00 H new ATOM 0 HB VAL A 40 0.152 3.143 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.523 1.266 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.697 0.770 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.781 0.357 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.044 3.014 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.393 2.179 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.009 3.864 2.402 1.00 0.00 H new ATOM 597 N SER A 41 -1.471 0.063 5.527 1.00 0.00 N ATOM 598 CA SER A 41 -1.024 -1.017 6.384 1.00 0.00 C ATOM 599 C SER A 41 -0.790 -2.285 5.573 1.00 0.00 C ATOM 600 O SER A 41 -1.507 -2.562 4.609 1.00 0.00 O ATOM 601 CB SER A 41 -2.066 -1.275 7.473 1.00 0.00 C ATOM 602 OG SER A 41 -2.367 -0.080 8.174 1.00 0.00 O ATOM 0 H SER A 41 -2.344 -0.124 5.034 1.00 0.00 H new ATOM 0 HA SER A 41 -0.081 -0.728 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.974 -1.678 7.025 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.693 -2.026 8.169 1.00 0.00 H new ATOM 0 HG SER A 41 -3.037 -0.266 8.865 1.00 0.00 H new ATOM 608 N LEU A 42 0.224 -3.043 5.960 1.00 0.00 N ATOM 609 CA LEU A 42 0.532 -4.296 5.299 1.00 0.00 C ATOM 610 C LEU A 42 -0.015 -5.459 6.114 1.00 0.00 C ATOM 611 O LEU A 42 0.445 -5.718 7.230 1.00 0.00 O ATOM 612 CB LEU A 42 2.042 -4.448 5.110 1.00 0.00 C ATOM 613 CG LEU A 42 2.481 -5.716 4.375 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.910 -5.745 2.963 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.997 -5.811 4.339 1.00 0.00 C ATOM 0 H LEU A 42 0.848 -2.809 6.732 1.00 0.00 H new ATOM 0 HA LEU A 42 0.061 -4.297 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.413 -3.582 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.518 -4.432 6.090 1.00 0.00 H new ATOM 0 HG LEU A 42 2.093 -6.578 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.234 -6.655 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.821 -5.725 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.265 -4.876 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.292 -6.719 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.404 -4.943 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.384 -5.840 5.358 1.00 0.00 H new ATOM 627 N LEU A 43 -1.004 -6.139 5.566 1.00 0.00 N ATOM 628 CA LEU A 43 -1.631 -7.250 6.255 1.00 0.00 C ATOM 629 C LEU A 43 -1.121 -8.577 5.717 1.00 0.00 C ATOM 630 O LEU A 43 -1.231 -8.859 4.527 1.00 0.00 O ATOM 631 CB LEU A 43 -3.158 -7.200 6.117 1.00 0.00 C ATOM 632 CG LEU A 43 -3.834 -5.934 6.651 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.925 -4.868 5.571 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.212 -6.266 7.205 1.00 0.00 C ATOM 0 H LEU A 43 -1.391 -5.941 4.643 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.370 -7.165 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.412 -7.308 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.579 -8.061 6.636 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.224 -5.534 7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.409 -3.980 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.923 -4.611 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.509 -5.248 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.681 -5.357 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.829 -6.692 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.114 -6.987 8.017 1.00 0.00 H new ATOM 646 N VAL A 44 -0.555 -9.380 6.596 1.00 0.00 N ATOM 647 CA VAL A 44 -0.165 -10.734 6.251 1.00 0.00 C ATOM 648 C VAL A 44 -1.261 -11.686 6.703 1.00 0.00 C ATOM 649 O VAL A 44 -1.532 -11.792 7.903 1.00 0.00 O ATOM 650 CB VAL A 44 1.176 -11.133 6.904 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.525 -12.579 6.582 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.289 -10.205 6.446 1.00 0.00 C ATOM 0 H VAL A 44 -0.354 -9.117 7.561 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.028 -10.789 5.171 1.00 0.00 H new ATOM 0 HB VAL A 44 1.068 -11.039 7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.474 -12.838 7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.741 -13.235 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.610 -12.701 5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.227 -10.501 6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.391 -10.267 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.049 -9.181 6.730 1.00 0.00 H new ATOM 662 N ASP A 45 -1.902 -12.346 5.738 1.00 0.00 N ATOM 663 CA ASP A 45 -3.056 -13.217 5.999 1.00 0.00 C ATOM 664 C ASP A 45 -4.260 -12.397 6.454 1.00 0.00 C ATOM 665 O ASP A 45 -5.197 -12.171 5.687 1.00 0.00 O ATOM 666 CB ASP A 45 -2.724 -14.301 7.038 1.00 0.00 C ATOM 667 CG ASP A 45 -3.934 -15.135 7.425 1.00 0.00 C ATOM 668 OD1 ASP A 45 -4.366 -15.975 6.610 1.00 0.00 O ATOM 669 OD2 ASP A 45 -4.459 -14.951 8.544 1.00 0.00 O ATOM 0 H ASP A 45 -1.639 -12.294 4.754 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.306 -13.717 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.950 -14.956 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.313 -13.829 7.930 1.00 0.00 H new ATOM 674 N GLY A 46 -4.218 -11.944 7.693 1.00 0.00 N ATOM 675 CA GLY A 46 -5.279 -11.119 8.231 1.00 0.00 C ATOM 676 C GLY A 46 -4.814 -10.313 9.424 1.00 0.00 C ATOM 677 O GLY A 46 -5.626 -9.810 10.201 1.00 0.00 O ATOM 0 H GLY A 46 -3.458 -12.135 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.643 -10.444 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.118 -11.751 8.524 1.00 0.00 H new ATOM 681 N ILE A 47 -3.501 -10.195 9.573 1.00 0.00 N ATOM 682 CA ILE A 47 -2.920 -9.438 10.672 1.00 0.00 C ATOM 683 C ILE A 47 -2.004 -8.364 10.108 1.00 0.00 C ATOM 684 O ILE A 47 -1.406 -8.545 9.049 1.00 0.00 O ATOM 685 CB ILE A 47 -2.099 -10.335 11.623 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.824 -11.663 11.876 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.836 -9.618 12.942 1.00 0.00 C ATOM 688 CD1 ILE A 47 -2.022 -12.646 12.704 1.00 0.00 C ATOM 0 H ILE A 47 -2.817 -10.616 8.944 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.739 -8.998 11.240 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.142 -10.549 11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.768 -11.461 12.382 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.068 -12.122 10.918 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.256 -10.266 13.599 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.278 -8.701 12.753 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.785 -9.374 13.419 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.598 -13.561 12.842 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.089 -12.878 12.190 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.801 -12.207 13.677 1.00 0.00 H new ATOM 700 N VAL A 48 -1.887 -7.260 10.814 1.00 0.00 N ATOM 701 CA VAL A 48 -1.079 -6.145 10.347 1.00 0.00 C ATOM 702 C VAL A 48 0.332 -6.245 10.912 1.00 0.00 C ATOM 703 O VAL A 48 0.520 -6.304 12.126 1.00 0.00 O ATOM 704 CB VAL A 48 -1.703 -4.792 10.750 1.00 0.00 C ATOM 705 CG1 VAL A 48 -0.914 -3.639 10.152 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.160 -4.721 10.319 1.00 0.00 C ATOM 0 H VAL A 48 -2.340 -7.107 11.715 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.041 -6.195 9.259 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.663 -4.710 11.836 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.370 -2.694 10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.114 -3.675 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.919 -3.720 9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.580 -3.759 10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.225 -4.830 9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.721 -5.523 10.798 1.00 0.00 H new ATOM 716 N VAL A 49 1.322 -6.286 10.030 1.00 0.00 N ATOM 717 CA VAL A 49 2.709 -6.387 10.464 1.00 0.00 C ATOM 718 C VAL A 49 3.380 -5.018 10.502 1.00 0.00 C ATOM 719 O VAL A 49 4.290 -4.787 11.301 1.00 0.00 O ATOM 720 CB VAL A 49 3.530 -7.341 9.568 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.029 -8.769 9.717 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.484 -6.902 8.110 1.00 0.00 C ATOM 0 H VAL A 49 1.193 -6.251 9.019 1.00 0.00 H new ATOM 0 HA VAL A 49 2.686 -6.800 11.472 1.00 0.00 H new ATOM 0 HB VAL A 49 4.569 -7.302 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.617 -9.429 9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.129 -9.083 10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.981 -8.819 9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.071 -7.592 7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.451 -6.902 7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.898 -5.898 8.019 1.00 0.00 H new ATOM 732 N ASP A 50 2.924 -4.109 9.647 1.00 0.00 N ATOM 733 CA ASP A 50 3.489 -2.767 9.599 1.00 0.00 C ATOM 734 C ASP A 50 2.429 -1.758 9.172 1.00 0.00 C ATOM 735 O ASP A 50 1.491 -2.097 8.441 1.00 0.00 O ATOM 736 CB ASP A 50 4.690 -2.716 8.648 1.00 0.00 C ATOM 737 CG ASP A 50 5.560 -1.493 8.879 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.380 -0.812 9.910 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.447 -1.221 8.046 1.00 0.00 O ATOM 0 H ASP A 50 2.169 -4.276 8.982 1.00 0.00 H new ATOM 0 HA ASP A 50 3.834 -2.506 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.291 -3.616 8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.334 -2.716 7.618 1.00 0.00 H new ATOM 744 N THR A 51 2.585 -0.528 9.631 1.00 0.00 N ATOM 745 CA THR A 51 1.602 0.525 9.415 1.00 0.00 C ATOM 746 C THR A 51 2.307 1.862 9.216 1.00 0.00 C ATOM 747 O THR A 51 3.062 2.305 10.081 1.00 0.00 O ATOM 748 CB THR A 51 0.656 0.628 10.630 1.00 0.00 C ATOM 749 OG1 THR A 51 0.145 -0.669 10.963 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.504 1.567 10.350 1.00 0.00 C ATOM 0 H THR A 51 3.400 -0.228 10.166 1.00 0.00 H new ATOM 0 HA THR A 51 1.022 0.281 8.525 1.00 0.00 H new ATOM 0 HB THR A 51 1.230 1.028 11.466 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.453 -0.596 11.736 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.151 1.617 11.226 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.120 2.562 10.125 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.074 1.197 9.498 1.00 0.00 H new ATOM 758 N GLN A 52 2.070 2.501 8.080 1.00 0.00 N ATOM 759 CA GLN A 52 2.708 3.773 7.792 1.00 0.00 C ATOM 760 C GLN A 52 1.699 4.760 7.221 1.00 0.00 C ATOM 761 O GLN A 52 1.027 4.472 6.228 1.00 0.00 O ATOM 762 CB GLN A 52 3.859 3.585 6.804 1.00 0.00 C ATOM 763 CG GLN A 52 4.901 4.686 6.890 1.00 0.00 C ATOM 764 CD GLN A 52 5.502 5.049 5.548 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.887 6.194 5.318 1.00 0.00 O ATOM 766 NE2 GLN A 52 5.593 4.080 4.655 1.00 0.00 N ATOM 0 H GLN A 52 1.445 2.161 7.349 1.00 0.00 H new ATOM 0 HA GLN A 52 3.104 4.171 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.338 2.624 6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.459 3.550 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.446 5.574 7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.698 4.371 7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.262 3.143 4.884 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.994 4.269 3.736 1.00 0.00 H new ATOM 775 N THR A 53 1.590 5.920 7.846 1.00 0.00 N ATOM 776 CA THR A 53 0.695 6.956 7.361 1.00 0.00 C ATOM 777 C THR A 53 1.390 7.798 6.296 1.00 0.00 C ATOM 778 O THR A 53 2.454 8.366 6.539 1.00 0.00 O ATOM 779 CB THR A 53 0.223 7.863 8.511 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.278 7.055 9.584 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.867 8.814 8.042 1.00 0.00 C ATOM 0 H THR A 53 2.109 6.168 8.688 1.00 0.00 H new ATOM 0 HA THR A 53 -0.177 6.468 6.925 1.00 0.00 H new ATOM 0 HB THR A 53 1.073 8.453 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.577 7.633 10.317 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.183 9.444 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.482 9.441 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.719 8.240 7.678 1.00 0.00 H new ATOM 789 N VAL A 54 0.794 7.859 5.119 1.00 0.00 N ATOM 790 CA VAL A 54 1.359 8.618 4.019 1.00 0.00 C ATOM 791 C VAL A 54 0.900 10.070 4.105 1.00 0.00 C ATOM 792 O VAL A 54 -0.274 10.337 4.379 1.00 0.00 O ATOM 793 CB VAL A 54 0.950 8.019 2.656 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.715 8.683 1.522 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.166 6.511 2.642 1.00 0.00 C ATOM 0 H VAL A 54 -0.085 7.390 4.900 1.00 0.00 H new ATOM 0 HA VAL A 54 2.445 8.571 4.097 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.112 8.212 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.410 8.245 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.500 9.751 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.785 8.530 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.871 6.110 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.219 6.293 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.563 6.050 3.424 1.00 0.00 H new ATOM 805 N THR A 55 1.830 10.993 3.887 1.00 0.00 N ATOM 806 CA THR A 55 1.564 12.420 4.014 1.00 0.00 C ATOM 807 C THR A 55 0.389 12.859 3.142 1.00 0.00 C ATOM 808 O THR A 55 -0.546 13.495 3.628 1.00 0.00 O ATOM 809 CB THR A 55 2.814 13.235 3.634 1.00 0.00 C ATOM 810 OG1 THR A 55 3.960 12.696 4.304 1.00 0.00 O ATOM 811 CG2 THR A 55 2.642 14.699 4.011 1.00 0.00 C ATOM 0 H THR A 55 2.789 10.773 3.617 1.00 0.00 H new ATOM 0 HA THR A 55 1.305 12.607 5.056 1.00 0.00 H new ATOM 0 HB THR A 55 2.954 13.171 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.755 13.214 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.538 15.254 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.781 15.112 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.483 14.782 5.086 1.00 0.00 H new ATOM 819 N SER A 56 0.441 12.510 1.862 1.00 0.00 N ATOM 820 CA SER A 56 -0.610 12.872 0.919 1.00 0.00 C ATOM 821 C SER A 56 -0.302 12.264 -0.446 1.00 0.00 C ATOM 822 O SER A 56 0.820 12.379 -0.943 1.00 0.00 O ATOM 823 CB SER A 56 -0.720 14.401 0.801 1.00 0.00 C ATOM 824 OG SER A 56 -1.925 14.793 0.162 1.00 0.00 O ATOM 0 H SER A 56 1.205 11.973 1.451 1.00 0.00 H new ATOM 0 HA SER A 56 -1.562 12.483 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.673 14.847 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.131 14.785 0.239 1.00 0.00 H new ATOM 0 HG SER A 56 -2.350 14.009 -0.245 1.00 0.00 H new ATOM 830 N LEU A 57 -1.281 11.603 -1.043 1.00 0.00 N ATOM 831 CA LEU A 57 -1.093 11.039 -2.369 1.00 0.00 C ATOM 832 C LEU A 57 -1.630 11.992 -3.422 1.00 0.00 C ATOM 833 O LEU A 57 -2.834 12.239 -3.508 1.00 0.00 O ATOM 834 CB LEU A 57 -1.764 9.669 -2.491 1.00 0.00 C ATOM 835 CG LEU A 57 -1.564 8.967 -3.838 1.00 0.00 C ATOM 836 CD1 LEU A 57 -0.099 8.963 -4.232 1.00 0.00 C ATOM 837 CD2 LEU A 57 -2.085 7.543 -3.781 1.00 0.00 C ATOM 0 H LEU A 57 -2.203 11.445 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.024 10.899 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.382 9.022 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.833 9.788 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.127 9.520 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.018 8.459 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.258 9.989 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.480 8.437 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.934 7.061 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.547 6.989 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.149 7.554 -3.544 1.00 0.00 H new ATOM 849 N GLU A 58 -0.724 12.537 -4.211 1.00 0.00 N ATOM 850 CA GLU A 58 -1.086 13.483 -5.247 1.00 0.00 C ATOM 851 C GLU A 58 -1.799 12.776 -6.392 1.00 0.00 C ATOM 852 O GLU A 58 -1.486 11.629 -6.721 1.00 0.00 O ATOM 853 CB GLU A 58 0.164 14.191 -5.758 1.00 0.00 C ATOM 854 CG GLU A 58 0.996 14.801 -4.644 1.00 0.00 C ATOM 855 CD GLU A 58 2.268 15.436 -5.151 1.00 0.00 C ATOM 856 OE1 GLU A 58 3.128 14.705 -5.679 1.00 0.00 O ATOM 857 OE2 GLU A 58 2.414 16.668 -5.027 1.00 0.00 O ATOM 0 H GLU A 58 0.275 12.338 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.767 14.222 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.776 13.481 -6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.129 14.975 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.403 15.552 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.245 14.028 -3.917 1.00 0.00 H new ATOM 864 N SER A 59 -2.761 13.461 -6.981 1.00 0.00 N ATOM 865 CA SER A 59 -3.530 12.918 -8.086 1.00 0.00 C ATOM 866 C SER A 59 -2.629 12.610 -9.275 1.00 0.00 C ATOM 867 O SER A 59 -1.766 13.416 -9.636 1.00 0.00 O ATOM 868 CB SER A 59 -4.640 13.897 -8.484 1.00 0.00 C ATOM 869 OG SER A 59 -4.150 15.227 -8.566 1.00 0.00 O ATOM 0 H SER A 59 -3.031 14.406 -6.709 1.00 0.00 H new ATOM 0 HA SER A 59 -3.988 11.983 -7.764 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.060 13.602 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.449 13.849 -7.755 1.00 0.00 H new ATOM 0 HG SER A 59 -4.142 15.628 -7.672 1.00 0.00 H new ATOM 875 N GLU A 60 -2.806 11.413 -9.836 1.00 0.00 N ATOM 876 CA GLU A 60 -2.067 10.960 -11.013 1.00 0.00 C ATOM 877 C GLU A 60 -0.610 10.637 -10.663 1.00 0.00 C ATOM 878 O GLU A 60 0.177 10.243 -11.524 1.00 0.00 O ATOM 879 CB GLU A 60 -2.135 12.009 -12.130 1.00 0.00 C ATOM 880 CG GLU A 60 -1.975 11.429 -13.521 1.00 0.00 C ATOM 881 CD GLU A 60 -3.064 10.432 -13.855 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.211 10.863 -14.114 1.00 0.00 O ATOM 883 OE2 GLU A 60 -2.780 9.215 -13.860 1.00 0.00 O ATOM 0 H GLU A 60 -3.472 10.726 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.536 10.043 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.091 12.529 -12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.357 12.754 -11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.988 12.237 -14.253 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.003 10.942 -13.600 1.00 0.00 H new ATOM 890 N ASN A 61 -0.257 10.787 -9.393 1.00 0.00 N ATOM 891 CA ASN A 61 1.095 10.492 -8.943 1.00 0.00 C ATOM 892 C ASN A 61 1.099 9.214 -8.112 1.00 0.00 C ATOM 893 O ASN A 61 0.106 8.885 -7.459 1.00 0.00 O ATOM 894 CB ASN A 61 1.670 11.667 -8.139 1.00 0.00 C ATOM 895 CG ASN A 61 3.122 11.450 -7.737 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.863 10.728 -8.406 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.548 12.098 -6.664 1.00 0.00 N ATOM 0 H ASN A 61 -0.887 11.110 -8.659 1.00 0.00 H new ATOM 0 HA ASN A 61 1.730 10.343 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.594 12.579 -8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.068 11.818 -7.243 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.519 12.008 -6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.905 12.687 -6.135 1.00 0.00 H new ATOM 904 N SER A 62 2.205 8.492 -8.156 1.00 0.00 N ATOM 905 CA SER A 62 2.332 7.234 -7.446 1.00 0.00 C ATOM 906 C SER A 62 3.330 7.358 -6.299 1.00 0.00 C ATOM 907 O SER A 62 4.483 7.738 -6.499 1.00 0.00 O ATOM 908 CB SER A 62 2.752 6.131 -8.422 1.00 0.00 C ATOM 909 OG SER A 62 3.683 6.622 -9.377 1.00 0.00 O ATOM 0 H SER A 62 3.036 8.761 -8.683 1.00 0.00 H new ATOM 0 HA SER A 62 1.366 6.971 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.195 5.302 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.873 5.740 -8.934 1.00 0.00 H new ATOM 0 HG SER A 62 3.937 5.899 -9.988 1.00 0.00 H new ATOM 915 N THR A 63 2.872 7.052 -5.097 1.00 0.00 N ATOM 916 CA THR A 63 3.707 7.129 -3.913 1.00 0.00 C ATOM 917 C THR A 63 4.139 5.735 -3.465 1.00 0.00 C ATOM 918 O THR A 63 3.337 4.800 -3.453 1.00 0.00 O ATOM 919 CB THR A 63 2.965 7.852 -2.768 1.00 0.00 C ATOM 920 OG1 THR A 63 2.792 9.233 -3.106 1.00 0.00 O ATOM 921 CG2 THR A 63 3.711 7.737 -1.446 1.00 0.00 C ATOM 0 H THR A 63 1.916 6.745 -4.916 1.00 0.00 H new ATOM 0 HA THR A 63 4.598 7.703 -4.165 1.00 0.00 H new ATOM 0 HB THR A 63 1.994 7.372 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.320 9.691 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.155 8.259 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.813 6.686 -1.176 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.700 8.183 -1.546 1.00 0.00 H new ATOM 929 N ASN A 64 5.413 5.604 -3.123 1.00 0.00 N ATOM 930 CA ASN A 64 5.954 4.335 -2.662 1.00 0.00 C ATOM 931 C ASN A 64 5.936 4.267 -1.143 1.00 0.00 C ATOM 932 O ASN A 64 6.412 5.175 -0.462 1.00 0.00 O ATOM 933 CB ASN A 64 7.380 4.135 -3.185 1.00 0.00 C ATOM 934 CG ASN A 64 7.412 3.859 -4.675 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.472 3.297 -5.228 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.492 4.249 -5.334 1.00 0.00 N ATOM 0 H ASN A 64 6.092 6.364 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 64 5.326 3.535 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.972 5.025 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.847 3.305 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.564 4.085 -6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.252 4.713 -4.838 1.00 0.00 H new ATOM 943 N VAL A 65 5.374 3.191 -0.623 1.00 0.00 N ATOM 944 CA VAL A 65 5.274 2.989 0.812 1.00 0.00 C ATOM 945 C VAL A 65 6.424 2.122 1.308 1.00 0.00 C ATOM 946 O VAL A 65 6.547 0.960 0.917 1.00 0.00 O ATOM 947 CB VAL A 65 3.933 2.322 1.192 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.782 2.222 2.702 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.764 3.083 0.586 1.00 0.00 C ATOM 0 H VAL A 65 4.975 2.435 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 65 5.324 3.969 1.286 1.00 0.00 H new ATOM 0 HB VAL A 65 3.933 1.311 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.830 1.749 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.597 1.625 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.811 3.221 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.829 2.597 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.765 4.108 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.858 3.090 -0.500 1.00 0.00 H new ATOM 959 N ASP A 66 7.269 2.705 2.145 1.00 0.00 N ATOM 960 CA ASP A 66 8.411 2.000 2.715 1.00 0.00 C ATOM 961 C ASP A 66 7.990 1.205 3.950 1.00 0.00 C ATOM 962 O ASP A 66 7.799 1.767 5.028 1.00 0.00 O ATOM 963 CB ASP A 66 9.510 3.006 3.079 1.00 0.00 C ATOM 964 CG ASP A 66 10.762 2.348 3.626 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.459 1.663 2.853 1.00 0.00 O ATOM 966 OD2 ASP A 66 11.073 2.540 4.823 1.00 0.00 O ATOM 0 H ASP A 66 7.185 3.675 2.448 1.00 0.00 H new ATOM 0 HA ASP A 66 8.798 1.300 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.769 3.587 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.122 3.707 3.819 1.00 0.00 H new ATOM 971 N PHE A 67 7.810 -0.097 3.777 1.00 0.00 N ATOM 972 CA PHE A 67 7.433 -0.971 4.880 1.00 0.00 C ATOM 973 C PHE A 67 8.640 -1.727 5.419 1.00 0.00 C ATOM 974 O PHE A 67 9.563 -2.057 4.678 1.00 0.00 O ATOM 975 CB PHE A 67 6.374 -1.985 4.441 1.00 0.00 C ATOM 976 CG PHE A 67 4.965 -1.478 4.506 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.493 -0.864 5.654 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.104 -1.643 3.435 1.00 0.00 C ATOM 979 CE1 PHE A 67 3.190 -0.425 5.734 1.00 0.00 C ATOM 980 CE2 PHE A 67 2.798 -1.200 3.508 1.00 0.00 C ATOM 981 CZ PHE A 67 2.342 -0.591 4.661 1.00 0.00 C ATOM 0 H PHE A 67 7.919 -0.573 2.881 1.00 0.00 H new ATOM 0 HA PHE A 67 7.024 -0.335 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.588 -2.296 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.457 -2.873 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.155 -0.728 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.457 -2.123 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.833 0.049 6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.135 -1.329 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.321 -0.245 4.721 1.00 0.00 H new ATOM 991 N HIS A 68 8.614 -2.013 6.710 1.00 0.00 N ATOM 992 CA HIS A 68 9.681 -2.763 7.357 1.00 0.00 C ATOM 993 C HIS A 68 9.105 -4.034 7.960 1.00 0.00 C ATOM 994 O HIS A 68 8.385 -3.986 8.959 1.00 0.00 O ATOM 995 CB HIS A 68 10.366 -1.922 8.441 1.00 0.00 C ATOM 996 CG HIS A 68 11.041 -0.694 7.910 1.00 0.00 C ATOM 997 ND1 HIS A 68 12.404 -0.515 7.925 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.525 0.416 7.336 1.00 0.00 C ATOM 999 CE1 HIS A 68 12.696 0.650 7.379 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.572 1.237 7.010 1.00 0.00 N ATOM 0 H HIS A 68 7.859 -1.735 7.337 1.00 0.00 H new ATOM 0 HA HIS A 68 10.433 -3.020 6.611 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.624 -1.627 9.183 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.103 -2.538 8.955 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.478 0.619 7.166 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.689 1.056 7.255 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.496 2.148 6.558 1.00 0.00 H new ATOM 1009 N TRP A 69 9.414 -5.164 7.347 1.00 0.00 N ATOM 1010 CA TRP A 69 8.804 -6.421 7.732 1.00 0.00 C ATOM 1011 C TRP A 69 9.842 -7.392 8.281 1.00 0.00 C ATOM 1012 O TRP A 69 10.796 -7.764 7.597 1.00 0.00 O ATOM 1013 CB TRP A 69 8.057 -7.033 6.530 1.00 0.00 C ATOM 1014 CG TRP A 69 7.530 -8.423 6.771 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.187 -8.972 7.970 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.275 -9.432 5.783 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.771 -10.270 7.797 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.808 -10.573 6.462 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.405 -9.484 4.393 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.474 -11.752 5.795 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.069 -10.650 3.734 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.611 -11.770 4.434 1.00 0.00 C ATOM 0 H TRP A 69 10.084 -5.235 6.581 1.00 0.00 H new ATOM 0 HA TRP A 69 8.086 -6.227 8.529 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.224 -6.382 6.265 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.729 -7.055 5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.235 -8.460 8.920 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.482 -10.904 8.541 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.762 -8.626 3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.120 -12.619 6.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.162 -10.698 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.360 -12.668 3.889 1.00 0.00 H new ATOM 1033 N THR A 70 9.660 -7.774 9.533 1.00 0.00 N ATOM 1034 CA THR A 70 10.415 -8.866 10.109 1.00 0.00 C ATOM 1035 C THR A 70 9.653 -10.153 9.832 1.00 0.00 C ATOM 1036 O THR A 70 8.549 -10.331 10.352 1.00 0.00 O ATOM 1037 CB THR A 70 10.593 -8.689 11.626 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.914 -7.324 11.923 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.695 -9.595 12.152 1.00 0.00 C ATOM 0 H THR A 70 8.992 -7.340 10.170 1.00 0.00 H new ATOM 0 HA THR A 70 11.409 -8.892 9.663 1.00 0.00 H new ATOM 0 HB THR A 70 9.657 -8.960 12.113 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.024 -7.217 12.891 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.802 -9.451 13.227 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.439 -10.635 11.948 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.635 -9.349 11.658 1.00 0.00 H new ATOM 1047 N LEU A 71 10.238 -11.027 9.006 1.00 0.00 N ATOM 1048 CA LEU A 71 9.539 -12.203 8.470 1.00 0.00 C ATOM 1049 C LEU A 71 8.737 -12.935 9.543 1.00 0.00 C ATOM 1050 O LEU A 71 7.620 -13.385 9.284 1.00 0.00 O ATOM 1051 CB LEU A 71 10.538 -13.165 7.820 1.00 0.00 C ATOM 1052 CG LEU A 71 10.079 -13.812 6.505 1.00 0.00 C ATOM 1053 CD1 LEU A 71 8.780 -14.577 6.681 1.00 0.00 C ATOM 1054 CD2 LEU A 71 9.933 -12.762 5.419 1.00 0.00 C ATOM 0 H LEU A 71 11.204 -10.941 8.691 1.00 0.00 H new ATOM 0 HA LEU A 71 8.835 -11.844 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.466 -12.625 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.768 -13.957 8.533 1.00 0.00 H new ATOM 0 HG LEU A 71 10.845 -14.526 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.487 -15.021 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.919 -15.365 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.999 -13.896 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.607 -13.238 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.194 -12.021 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.893 -12.271 5.256 1.00 0.00 H new ATOM 1066 N ASP A 72 9.324 -13.048 10.735 1.00 0.00 N ATOM 1067 CA ASP A 72 8.656 -13.631 11.905 1.00 0.00 C ATOM 1068 C ASP A 72 8.631 -15.152 11.819 1.00 0.00 C ATOM 1069 O ASP A 72 9.079 -15.843 12.735 1.00 0.00 O ATOM 1070 CB ASP A 72 7.233 -13.081 12.059 1.00 0.00 C ATOM 1071 CG ASP A 72 6.584 -13.493 13.359 1.00 0.00 C ATOM 1072 OD1 ASP A 72 5.982 -14.586 13.413 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.673 -12.719 14.334 1.00 0.00 O ATOM 0 H ASP A 72 10.278 -12.738 10.919 1.00 0.00 H new ATOM 0 HA ASP A 72 9.229 -13.347 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.261 -11.993 12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.622 -13.429 11.227 1.00 0.00 H new ATOM 1078 N GLY A 73 8.118 -15.667 10.715 1.00 0.00 N ATOM 1079 CA GLY A 73 8.104 -17.097 10.496 1.00 0.00 C ATOM 1080 C GLY A 73 8.928 -17.483 9.292 1.00 0.00 C ATOM 1081 O GLY A 73 9.846 -16.759 8.906 1.00 0.00 O ATOM 0 H GLY A 73 7.708 -15.116 9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.490 -17.605 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.077 -17.434 10.358 1.00 0.00 H new ATOM 1085 N THR A 74 8.618 -18.626 8.703 1.00 0.00 N ATOM 1086 CA THR A 74 9.306 -19.078 7.507 1.00 0.00 C ATOM 1087 C THR A 74 8.402 -19.989 6.684 1.00 0.00 C ATOM 1088 O THR A 74 8.340 -21.198 6.910 1.00 0.00 O ATOM 1089 CB THR A 74 10.620 -19.818 7.844 1.00 0.00 C ATOM 1090 OG1 THR A 74 11.440 -19.002 8.690 1.00 0.00 O ATOM 1091 CG2 THR A 74 11.394 -20.158 6.576 1.00 0.00 C ATOM 0 H THR A 74 7.891 -19.259 9.036 1.00 0.00 H new ATOM 0 HA THR A 74 9.557 -18.191 6.925 1.00 0.00 H new ATOM 0 HB THR A 74 10.362 -20.743 8.360 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.270 -19.479 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.315 -20.678 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.785 -20.799 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.637 -19.240 6.041 1.00 0.00 H new ATOM 1099 N ALA A 75 7.679 -19.389 5.754 1.00 0.00 N ATOM 1100 CA ALA A 75 6.816 -20.129 4.853 1.00 0.00 C ATOM 1101 C ALA A 75 7.159 -19.769 3.419 1.00 0.00 C ATOM 1102 O ALA A 75 7.550 -18.635 3.142 1.00 0.00 O ATOM 1103 CB ALA A 75 5.355 -19.835 5.154 1.00 0.00 C ATOM 0 H ALA A 75 7.674 -18.380 5.603 1.00 0.00 H new ATOM 0 HA ALA A 75 6.975 -21.198 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.722 -20.398 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.129 -20.127 6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.165 -18.769 5.030 1.00 0.00 H new ATOM 1109 N ASN A 76 7.006 -20.726 2.515 1.00 0.00 N ATOM 1110 CA ASN A 76 7.441 -20.555 1.129 1.00 0.00 C ATOM 1111 C ASN A 76 6.672 -19.451 0.416 1.00 0.00 C ATOM 1112 O ASN A 76 7.177 -18.845 -0.528 1.00 0.00 O ATOM 1113 CB ASN A 76 7.298 -21.865 0.352 1.00 0.00 C ATOM 1114 CG ASN A 76 8.349 -22.886 0.729 1.00 0.00 C ATOM 1115 OD1 ASN A 76 8.160 -23.683 1.651 1.00 0.00 O ATOM 1116 ND2 ASN A 76 9.465 -22.875 0.019 1.00 0.00 N ATOM 0 H ASN A 76 6.583 -21.633 2.714 1.00 0.00 H new ATOM 0 HA ASN A 76 8.491 -20.264 1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.308 -22.284 0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.365 -21.658 -0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.208 -23.542 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.582 -22.199 -0.736 1.00 0.00 H new ATOM 1123 N SER A 77 5.448 -19.197 0.849 1.00 0.00 N ATOM 1124 CA SER A 77 4.626 -18.169 0.230 1.00 0.00 C ATOM 1125 C SER A 77 3.739 -17.476 1.262 1.00 0.00 C ATOM 1126 O SER A 77 2.916 -18.113 1.924 1.00 0.00 O ATOM 1127 CB SER A 77 3.774 -18.785 -0.882 1.00 0.00 C ATOM 1128 OG SER A 77 4.597 -19.435 -1.840 1.00 0.00 O ATOM 0 H SER A 77 5.002 -19.687 1.625 1.00 0.00 H new ATOM 0 HA SER A 77 5.285 -17.415 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.070 -19.499 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.184 -18.008 -1.368 1.00 0.00 H new ATOM 0 HG SER A 77 4.036 -19.825 -2.543 1.00 0.00 H new ATOM 1134 N TYR A 78 3.929 -16.174 1.406 1.00 0.00 N ATOM 1135 CA TYR A 78 3.122 -15.370 2.307 1.00 0.00 C ATOM 1136 C TYR A 78 2.131 -14.513 1.539 1.00 0.00 C ATOM 1137 O TYR A 78 2.441 -13.991 0.465 1.00 0.00 O ATOM 1138 CB TYR A 78 4.007 -14.485 3.187 1.00 0.00 C ATOM 1139 CG TYR A 78 4.524 -15.189 4.417 1.00 0.00 C ATOM 1140 CD1 TYR A 78 3.786 -15.186 5.592 1.00 0.00 C ATOM 1141 CD2 TYR A 78 5.738 -15.860 4.406 1.00 0.00 C ATOM 1142 CE1 TYR A 78 4.241 -15.832 6.722 1.00 0.00 C ATOM 1143 CE2 TYR A 78 6.202 -16.507 5.533 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.448 -16.492 6.689 1.00 0.00 C ATOM 1145 OH TYR A 78 5.900 -17.146 7.811 1.00 0.00 O ATOM 0 H TYR A 78 4.644 -15.648 0.904 1.00 0.00 H new ATOM 0 HA TYR A 78 2.563 -16.054 2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.853 -14.130 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.440 -13.606 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.838 -14.669 5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.329 -15.876 3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.653 -15.820 7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.151 -17.023 5.511 1.00 0.00 H new ATOM 0 HH TYR A 78 6.450 -17.912 7.544 1.00 0.00 H new ATOM 1155 N THR A 79 0.938 -14.381 2.089 1.00 0.00 N ATOM 1156 CA THR A 79 -0.097 -13.568 1.483 1.00 0.00 C ATOM 1157 C THR A 79 -0.060 -12.159 2.061 1.00 0.00 C ATOM 1158 O THR A 79 -0.548 -11.917 3.169 1.00 0.00 O ATOM 1159 CB THR A 79 -1.489 -14.186 1.713 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.470 -15.572 1.342 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.552 -13.457 0.903 1.00 0.00 C ATOM 0 H THR A 79 0.662 -14.831 2.962 1.00 0.00 H new ATOM 0 HA THR A 79 0.090 -13.526 0.410 1.00 0.00 H new ATOM 0 HB THR A 79 -1.735 -14.089 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.356 -15.963 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.525 -13.914 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.582 -12.409 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.311 -13.525 -0.158 1.00 0.00 H new ATOM 1169 N LEU A 80 0.542 -11.241 1.322 1.00 0.00 N ATOM 1170 CA LEU A 80 0.667 -9.865 1.771 1.00 0.00 C ATOM 1171 C LEU A 80 -0.383 -8.992 1.109 1.00 0.00 C ATOM 1172 O LEU A 80 -0.502 -8.953 -0.115 1.00 0.00 O ATOM 1173 CB LEU A 80 2.070 -9.324 1.499 1.00 0.00 C ATOM 1174 CG LEU A 80 3.055 -9.471 2.662 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.228 -10.931 3.054 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.394 -8.853 2.301 1.00 0.00 C ATOM 0 H LEU A 80 0.952 -11.425 0.407 1.00 0.00 H new ATOM 0 HA LEU A 80 0.503 -9.844 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.479 -9.837 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.992 -8.268 1.239 1.00 0.00 H new ATOM 0 HG LEU A 80 2.646 -8.940 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.933 -11.004 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.266 -11.342 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.609 -11.494 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.084 -8.965 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.802 -9.356 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.259 -7.794 2.082 1.00 0.00 H new ATOM 1188 N THR A 81 -1.150 -8.305 1.929 1.00 0.00 N ATOM 1189 CA THR A 81 -2.241 -7.489 1.447 1.00 0.00 C ATOM 1190 C THR A 81 -2.060 -6.035 1.866 1.00 0.00 C ATOM 1191 O THR A 81 -2.053 -5.716 3.054 1.00 0.00 O ATOM 1192 CB THR A 81 -3.586 -8.020 1.981 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.714 -9.413 1.672 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.752 -7.261 1.374 1.00 0.00 C ATOM 0 H THR A 81 -1.035 -8.297 2.942 1.00 0.00 H new ATOM 0 HA THR A 81 -2.242 -7.540 0.358 1.00 0.00 H new ATOM 0 HB THR A 81 -3.603 -7.876 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.569 -9.747 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.688 -7.656 1.768 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.669 -6.204 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.737 -7.377 0.290 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.888 -5.165 0.886 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.802 -3.736 1.138 1.00 0.00 C ATOM 1204 C VAL A 82 -3.199 -3.133 1.152 1.00 0.00 C ATOM 1205 O VAL A 82 -3.857 -3.056 0.114 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.941 -3.013 0.076 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.929 -1.510 0.319 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.481 -3.559 0.072 1.00 0.00 C ATOM 0 H VAL A 82 -1.805 -5.425 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.323 -3.600 2.108 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.387 -3.200 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.317 -1.024 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.947 -1.125 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.514 -1.304 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.069 -3.036 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.932 -3.407 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.461 -4.624 -0.157 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.666 -2.748 2.329 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.956 -2.087 2.440 1.00 0.00 C ATOM 1220 C ASN A 83 -4.748 -0.594 2.609 1.00 0.00 C ATOM 1221 O ASN A 83 -4.067 -0.149 3.539 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.775 -2.655 3.602 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.136 -1.992 3.734 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.306 -1.042 4.495 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -8.114 -2.489 2.989 1.00 0.00 N ATOM 0 H ASN A 83 -3.176 -2.880 3.214 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.520 -2.270 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.909 -3.727 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.220 -2.525 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.048 -2.082 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.932 -3.279 2.370 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.306 0.168 1.688 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.131 1.604 1.680 1.00 0.00 C ATOM 1234 C VAL A 84 -6.182 2.292 2.544 1.00 0.00 C ATOM 1235 O VAL A 84 -7.362 2.316 2.209 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.164 2.151 0.239 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.121 3.670 0.227 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.999 1.577 -0.556 1.00 0.00 C ATOM 0 H VAL A 84 -5.889 -0.189 0.931 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.152 1.824 2.107 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.100 1.843 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.146 4.027 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.982 4.063 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.204 4.012 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.026 1.966 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.060 1.863 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.076 0.490 -0.581 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.715 2.808 3.675 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.534 3.547 4.635 1.00 0.00 C ATOM 1250 C ASP A 85 -7.654 2.681 5.206 1.00 0.00 C ATOM 1251 O ASP A 85 -8.786 2.699 4.724 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.101 4.829 4.018 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.674 5.768 5.063 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -7.565 5.465 6.273 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.225 6.817 4.679 1.00 0.00 O ATOM 0 H ASP A 85 -4.739 2.724 3.958 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.880 3.830 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.314 5.342 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.879 4.570 3.300 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.345 1.910 6.264 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.319 1.034 6.916 1.00 0.00 C ATOM 1262 C PRO A 86 -9.345 1.820 7.727 1.00 0.00 C ATOM 1263 O PRO A 86 -10.282 1.250 8.293 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.459 0.165 7.835 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.260 0.997 8.129 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.015 1.828 6.898 1.00 0.00 C ATOM 0 HA PRO A 86 -8.902 0.461 6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.994 -0.095 8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.182 -0.771 7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.430 1.631 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.397 0.371 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.630 2.816 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.284 1.361 6.238 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.152 3.130 7.793 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.079 4.006 8.480 1.00 0.00 C ATOM 1276 C GLU A 87 -10.994 4.663 7.462 1.00 0.00 C ATOM 1277 O GLU A 87 -12.048 5.203 7.811 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.314 5.067 9.267 1.00 0.00 C ATOM 1279 CG GLU A 87 -8.258 4.484 10.189 1.00 0.00 C ATOM 1280 CD GLU A 87 -7.518 5.546 10.967 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -6.620 6.193 10.393 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -7.830 5.736 12.162 1.00 0.00 O ATOM 0 H GLU A 87 -8.354 3.608 7.374 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.678 3.424 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.837 5.755 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.020 5.651 9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.731 3.792 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.545 3.907 9.600 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.570 4.584 6.201 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.271 5.190 5.075 1.00 0.00 C ATOM 1291 C ASN A 88 -11.642 6.637 5.380 1.00 0.00 C ATOM 1292 O ASN A 88 -12.800 6.969 5.642 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.499 4.360 4.676 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.206 4.907 3.447 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.215 5.605 3.553 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.676 4.608 2.271 1.00 0.00 N ATOM 0 H ASN A 88 -9.719 4.090 5.932 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.595 5.199 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.191 3.332 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.200 4.332 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.104 4.959 1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.839 4.027 2.222 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.631 7.484 5.396 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.816 8.904 5.614 1.00 0.00 C ATOM 1305 C ALA A 89 -11.022 9.593 4.277 1.00 0.00 C ATOM 1306 O ALA A 89 -11.758 10.576 4.171 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.613 9.484 6.347 1.00 0.00 C ATOM 0 H ALA A 89 -9.659 7.207 5.258 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.697 9.068 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.763 10.552 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.500 8.987 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.714 9.329 5.751 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.383 9.049 3.256 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.535 9.545 1.900 1.00 0.00 C ATOM 1315 C VAL A 90 -11.700 8.830 1.219 1.00 0.00 C ATOM 1316 O VAL A 90 -11.830 7.612 1.325 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.246 9.325 1.076 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.342 10.008 -0.279 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -8.023 9.818 1.843 1.00 0.00 C ATOM 0 H VAL A 90 -9.748 8.256 3.343 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.733 10.616 1.951 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.134 8.254 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.422 9.838 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.186 9.598 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.487 11.079 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.127 9.653 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.129 10.883 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.937 9.271 2.782 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.561 9.584 0.545 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.672 8.982 -0.179 1.00 0.00 C ATOM 1331 C ASN A 91 -13.169 8.395 -1.491 1.00 0.00 C ATOM 1332 O ASN A 91 -12.967 9.112 -2.470 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.780 10.006 -0.443 1.00 0.00 C ATOM 1334 CG ASN A 91 -16.010 9.377 -1.071 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.303 8.199 -0.857 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.750 10.159 -1.840 1.00 0.00 N ATOM 0 H ASN A 91 -12.512 10.601 0.485 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.095 8.186 0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.059 10.486 0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.399 10.788 -1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.594 9.792 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.476 11.129 -1.994 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.952 7.094 -1.487 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.311 6.411 -2.601 1.00 0.00 C ATOM 1345 C GLU A 92 -13.324 5.933 -3.633 1.00 0.00 C ATOM 1346 O GLU A 92 -14.505 5.753 -3.325 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.517 5.217 -2.085 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.538 5.566 -0.976 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.950 4.337 -0.322 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.666 3.698 0.483 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -8.790 4.001 -0.625 1.00 0.00 O ATOM 0 H GLU A 92 -13.213 6.480 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.646 7.126 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.212 4.461 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.968 4.771 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.733 6.178 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.046 6.168 -0.222 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.842 5.763 -4.858 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.618 5.151 -5.923 1.00 0.00 C ATOM 1360 C GLY A 93 -14.099 3.755 -5.572 1.00 0.00 C ATOM 1361 O GLY A 93 -15.091 3.592 -4.865 1.00 0.00 O ATOM 0 H GLY A 93 -11.903 6.046 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.479 5.781 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.012 5.105 -6.828 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.414 2.745 -6.085 1.00 0.00 N ATOM 1366 CA ASN A 94 -13.821 1.363 -5.841 1.00 0.00 C ATOM 1367 C ASN A 94 -13.276 0.868 -4.509 1.00 0.00 C ATOM 1368 O ASN A 94 -12.065 0.873 -4.282 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.346 0.425 -6.952 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.906 0.766 -8.320 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.969 1.372 -8.441 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.203 0.340 -9.355 1.00 0.00 N ATOM 0 H ASN A 94 -12.583 2.850 -6.667 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.911 1.355 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.257 0.453 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.628 -0.597 -6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.537 0.510 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.326 -0.159 -9.205 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.169 0.418 -3.640 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.770 -0.149 -2.357 1.00 0.00 C ATOM 1381 C GLU A 95 -13.146 -1.529 -2.574 1.00 0.00 C ATOM 1382 O GLU A 95 -12.473 -2.077 -1.703 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.986 -0.242 -1.430 1.00 0.00 C ATOM 1384 CG GLU A 95 -14.660 -0.718 -0.024 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.881 -0.765 0.866 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -16.725 -1.662 0.674 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -15.993 0.091 1.773 1.00 0.00 O ATOM 0 H GLU A 95 -15.176 0.434 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.028 0.497 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.459 0.738 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.715 -0.921 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.212 -1.710 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.917 -0.055 0.418 1.00 0.00 H new ATOM 1394 N SER A 96 -13.376 -2.076 -3.756 1.00 0.00 N ATOM 1395 CA SER A 96 -12.791 -3.346 -4.160 1.00 0.00 C ATOM 1396 C SER A 96 -11.435 -3.131 -4.828 1.00 0.00 C ATOM 1397 O SER A 96 -10.828 -4.067 -5.350 1.00 0.00 O ATOM 1398 CB SER A 96 -13.750 -4.044 -5.122 1.00 0.00 C ATOM 1399 OG SER A 96 -14.608 -3.095 -5.744 1.00 0.00 O ATOM 0 H SER A 96 -13.975 -1.652 -4.465 1.00 0.00 H new ATOM 0 HA SER A 96 -12.633 -3.967 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.184 -4.584 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.344 -4.781 -4.582 1.00 0.00 H new ATOM 0 HG SER A 96 -15.216 -3.557 -6.359 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.961 -1.896 -4.796 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.752 -1.522 -5.517 1.00 0.00 C ATOM 1407 C ASN A 97 -8.633 -1.063 -4.585 1.00 0.00 C ATOM 1408 O ASN A 97 -7.457 -1.248 -4.889 1.00 0.00 O ATOM 1409 CB ASN A 97 -10.087 -0.429 -6.536 1.00 0.00 C ATOM 1410 CG ASN A 97 -8.894 0.423 -6.913 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -8.112 0.064 -7.792 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -8.774 1.575 -6.275 1.00 0.00 N ATOM 0 H ASN A 97 -11.395 -1.133 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.382 -2.409 -6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.493 -0.892 -7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.868 0.212 -6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.008 2.208 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.447 1.830 -5.553 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.994 -0.502 -3.435 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.003 0.096 -2.534 1.00 0.00 C ATOM 1421 C ASN A 98 -7.211 -0.969 -1.770 1.00 0.00 C ATOM 1422 O ASN A 98 -6.474 -0.662 -0.832 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.679 1.051 -1.545 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.412 0.336 -0.422 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.917 -0.778 -0.593 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.473 0.971 0.737 1.00 0.00 N ATOM 0 H ASN A 98 -9.957 -0.447 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.303 0.656 -3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.925 1.711 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.384 1.683 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.950 0.541 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.043 1.890 0.838 1.00 0.00 H new ATOM 1433 N THR A 99 -7.354 -2.220 -2.174 1.00 0.00 N ATOM 1434 CA THR A 99 -6.646 -3.305 -1.525 1.00 0.00 C ATOM 1435 C THR A 99 -5.867 -4.120 -2.551 1.00 0.00 C ATOM 1436 O THR A 99 -6.324 -4.319 -3.676 1.00 0.00 O ATOM 1437 CB THR A 99 -7.616 -4.234 -0.783 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.775 -3.503 -0.365 1.00 0.00 O ATOM 1439 CG2 THR A 99 -6.951 -4.848 0.435 1.00 0.00 C ATOM 0 H THR A 99 -7.954 -2.507 -2.948 1.00 0.00 H new ATOM 0 HA THR A 99 -5.957 -2.863 -0.805 1.00 0.00 H new ATOM 0 HB THR A 99 -7.909 -5.030 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.389 -4.104 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.658 -5.502 0.945 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.082 -5.426 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.635 -4.057 1.115 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.697 -4.585 -2.156 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.850 -5.388 -3.030 1.00 0.00 C ATOM 1449 C LEU A 100 -3.426 -6.667 -2.330 1.00 0.00 C ATOM 1450 O LEU A 100 -2.576 -6.642 -1.440 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.604 -4.605 -3.460 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.572 -5.404 -4.264 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.113 -5.757 -5.641 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.270 -4.625 -4.382 1.00 0.00 C ATOM 0 H LEU A 100 -4.305 -4.421 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.432 -5.637 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.921 -3.749 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.118 -4.210 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.371 -6.334 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.363 -6.324 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.016 -6.358 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.349 -4.842 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.451 -5.207 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.457 -3.678 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.130 -4.431 -3.387 1.00 0.00 H new ATOM 1466 N THR A 101 -4.035 -7.772 -2.713 1.00 0.00 N ATOM 1467 CA THR A 101 -3.642 -9.069 -2.203 1.00 0.00 C ATOM 1468 C THR A 101 -2.605 -9.691 -3.130 1.00 0.00 C ATOM 1469 O THR A 101 -2.926 -10.112 -4.243 1.00 0.00 O ATOM 1470 CB THR A 101 -4.860 -10.004 -2.067 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.860 -9.377 -1.249 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.461 -11.337 -1.448 1.00 0.00 C ATOM 0 H THR A 101 -4.807 -7.796 -3.379 1.00 0.00 H new ATOM 0 HA THR A 101 -3.209 -8.934 -1.212 1.00 0.00 H new ATOM 0 HB THR A 101 -5.259 -10.192 -3.064 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.634 -9.972 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.340 -11.977 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.717 -11.823 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.040 -11.167 -0.457 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.360 -9.710 -2.685 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.272 -10.234 -3.489 1.00 0.00 C ATOM 1482 C ALA A 102 0.425 -11.373 -2.765 1.00 0.00 C ATOM 1483 O ALA A 102 0.411 -11.443 -1.535 1.00 0.00 O ATOM 1484 CB ALA A 102 0.719 -9.128 -3.821 1.00 0.00 C ATOM 0 H ALA A 102 -1.078 -9.367 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.685 -10.622 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.530 -9.535 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.212 -8.340 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.126 -8.715 -2.898 1.00 0.00 H new ATOM 1490 N LEU A 103 1.028 -12.266 -3.526 1.00 0.00 N ATOM 1491 CA LEU A 103 1.742 -13.388 -2.948 1.00 0.00 C ATOM 1492 C LEU A 103 3.237 -13.162 -3.027 1.00 0.00 C ATOM 1493 O LEU A 103 3.788 -12.931 -4.105 1.00 0.00 O ATOM 1494 CB LEU A 103 1.371 -14.692 -3.649 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.067 -15.152 -3.429 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.342 -16.425 -4.211 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.333 -15.369 -1.947 1.00 0.00 C ATOM 0 H LEU A 103 1.038 -12.236 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 103 1.452 -13.467 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.539 -14.573 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.045 -15.477 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.739 -14.374 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.372 -16.740 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.188 -16.239 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.336 -17.210 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.363 -15.697 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.346 -16.131 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.173 -14.435 -1.408 1.00 0.00 H new ATOM 1509 N VAL A 104 3.886 -13.222 -1.881 1.00 0.00 N ATOM 1510 CA VAL A 104 5.326 -13.055 -1.820 1.00 0.00 C ATOM 1511 C VAL A 104 5.970 -14.344 -1.324 1.00 0.00 C ATOM 1512 O VAL A 104 5.517 -14.945 -0.349 1.00 0.00 O ATOM 1513 CB VAL A 104 5.745 -11.854 -0.929 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.106 -10.568 -1.425 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.387 -12.074 0.530 1.00 0.00 C ATOM 0 H VAL A 104 3.439 -13.385 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 104 5.679 -12.834 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 104 6.829 -11.770 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.413 -9.739 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.425 -10.375 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.021 -10.666 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.699 -11.209 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.309 -12.207 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.896 -12.964 0.899 1.00 0.00 H new ATOM 1525 N GLY A 105 7.005 -14.783 -2.014 1.00 0.00 N ATOM 1526 CA GLY A 105 7.624 -16.045 -1.681 1.00 0.00 C ATOM 1527 C GLY A 105 9.003 -15.862 -1.100 1.00 0.00 C ATOM 1528 O GLY A 105 9.574 -14.777 -1.179 1.00 0.00 O ATOM 0 H GLY A 105 7.429 -14.289 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.997 -16.579 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.687 -16.665 -2.575 1.00 0.00 H new ATOM 1532 N THR A 106 9.542 -16.911 -0.508 1.00 0.00 N ATOM 1533 CA THR A 106 10.888 -16.859 0.026 1.00 0.00 C ATOM 1534 C THR A 106 11.901 -16.749 -1.106 1.00 0.00 C ATOM 1535 O THR A 106 11.779 -17.436 -2.122 1.00 0.00 O ATOM 1536 CB THR A 106 11.191 -18.094 0.889 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.790 -19.285 0.199 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.469 -18.004 2.225 1.00 0.00 C ATOM 0 H THR A 106 9.069 -17.807 -0.385 1.00 0.00 H new ATOM 0 HA THR A 106 10.965 -15.975 0.660 1.00 0.00 H new ATOM 0 HB THR A 106 12.264 -18.130 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.988 -20.067 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.696 -18.888 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.799 -17.112 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.394 -17.948 2.055 1.00 0.00 H new ATOM 1546 N LEU A 107 12.875 -15.864 -0.935 1.00 0.00 N ATOM 1547 CA LEU A 107 13.876 -15.601 -1.961 1.00 0.00 C ATOM 1548 C LEU A 107 14.589 -16.879 -2.390 1.00 0.00 C ATOM 1549 O LEU A 107 15.345 -17.476 -1.617 1.00 0.00 O ATOM 1550 CB LEU A 107 14.898 -14.578 -1.459 1.00 0.00 C ATOM 1551 CG LEU A 107 16.063 -14.297 -2.415 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.558 -13.729 -3.733 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.061 -13.345 -1.772 1.00 0.00 C ATOM 0 H LEU A 107 12.993 -15.311 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 107 13.357 -15.196 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.380 -13.640 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.304 -14.929 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 107 16.567 -15.241 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.403 -13.538 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.884 -14.445 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.025 -12.797 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.882 -13.156 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.565 -12.405 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.453 -13.791 -0.858 1.00 0.00 H new ATOM 1565 N GLU A 108 14.322 -17.304 -3.615 1.00 0.00 N ATOM 1566 CA GLU A 108 15.032 -18.425 -4.202 1.00 0.00 C ATOM 1567 C GLU A 108 16.457 -18.005 -4.525 1.00 0.00 C ATOM 1568 O GLU A 108 16.674 -17.155 -5.389 1.00 0.00 O ATOM 1569 CB GLU A 108 14.356 -18.896 -5.489 1.00 0.00 C ATOM 1570 CG GLU A 108 12.894 -19.277 -5.345 1.00 0.00 C ATOM 1571 CD GLU A 108 12.316 -19.783 -6.652 1.00 0.00 C ATOM 1572 OE1 GLU A 108 12.961 -19.586 -7.706 1.00 0.00 O ATOM 1573 OE2 GLU A 108 11.231 -20.395 -6.638 1.00 0.00 O ATOM 0 H GLU A 108 13.616 -16.887 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 108 15.026 -19.244 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.438 -18.105 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 108 14.903 -19.756 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.792 -20.046 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.324 -18.412 -5.005 1.00 0.00 H new ATOM 1580 N HIS A 109 17.419 -18.580 -3.827 1.00 0.00 N ATOM 1581 CA HIS A 109 18.818 -18.297 -4.103 1.00 0.00 C ATOM 1582 C HIS A 109 19.238 -19.016 -5.380 1.00 0.00 C ATOM 1583 O HIS A 109 19.526 -20.211 -5.365 1.00 0.00 O ATOM 1584 CB HIS A 109 19.697 -18.727 -2.921 1.00 0.00 C ATOM 1585 CG HIS A 109 21.149 -18.370 -3.071 1.00 0.00 C ATOM 1586 ND1 HIS A 109 21.713 -17.258 -2.485 1.00 0.00 N ATOM 1587 CD2 HIS A 109 22.155 -18.993 -3.732 1.00 0.00 C ATOM 1588 CE1 HIS A 109 22.998 -17.210 -2.781 1.00 0.00 C ATOM 1589 NE2 HIS A 109 23.294 -18.252 -3.535 1.00 0.00 N ATOM 0 H HIS A 109 17.260 -19.243 -3.068 1.00 0.00 H new ATOM 0 HA HIS A 109 18.947 -17.224 -4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.313 -18.266 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.611 -19.806 -2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 109 22.075 -19.904 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 109 23.691 -16.446 -2.460 1.00 0.00 H new ATOM 0 HE2 HIS A 109 24.217 -18.471 -3.910 1.00 0.00 H new ATOM 1598 N HIS A 110 19.239 -18.287 -6.484 1.00 0.00 N ATOM 1599 CA HIS A 110 19.582 -18.860 -7.778 1.00 0.00 C ATOM 1600 C HIS A 110 21.083 -18.782 -8.012 1.00 0.00 C ATOM 1601 O HIS A 110 21.735 -17.825 -7.594 1.00 0.00 O ATOM 1602 CB HIS A 110 18.845 -18.134 -8.911 1.00 0.00 C ATOM 1603 CG HIS A 110 17.397 -18.501 -9.052 1.00 0.00 C ATOM 1604 ND1 HIS A 110 16.673 -18.277 -10.205 1.00 0.00 N ATOM 1605 CD2 HIS A 110 16.534 -19.067 -8.177 1.00 0.00 C ATOM 1606 CE1 HIS A 110 15.432 -18.687 -10.031 1.00 0.00 C ATOM 1607 NE2 HIS A 110 15.319 -19.170 -8.811 1.00 0.00 N ATOM 0 H HIS A 110 19.006 -17.294 -6.511 1.00 0.00 H new ATOM 0 HA HIS A 110 19.274 -19.905 -7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.919 -17.059 -8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.353 -18.347 -9.852 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.758 -19.380 -7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.642 -18.635 -10.765 1.00 0.00 H new ATOM 0 HE2 HIS A 110 14.468 -19.557 -8.403 1.00 0.00 H new ATOM 1616 N HIS A 111 21.625 -19.799 -8.666 1.00 0.00 N ATOM 1617 CA HIS A 111 23.036 -19.808 -9.030 1.00 0.00 C ATOM 1618 C HIS A 111 23.283 -18.773 -10.118 1.00 0.00 C ATOM 1619 O HIS A 111 24.240 -18.002 -10.063 1.00 0.00 O ATOM 1620 CB HIS A 111 23.462 -21.196 -9.511 1.00 0.00 C ATOM 1621 CG HIS A 111 23.357 -22.254 -8.457 1.00 0.00 C ATOM 1622 ND1 HIS A 111 22.241 -23.041 -8.292 1.00 0.00 N ATOM 1623 CD2 HIS A 111 24.241 -22.654 -7.512 1.00 0.00 C ATOM 1624 CE1 HIS A 111 22.439 -23.879 -7.293 1.00 0.00 C ATOM 1625 NE2 HIS A 111 23.644 -23.666 -6.803 1.00 0.00 N ATOM 0 H HIS A 111 21.109 -20.630 -8.956 1.00 0.00 H new ATOM 0 HA HIS A 111 23.631 -19.559 -8.151 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.845 -21.481 -10.363 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.492 -21.148 -9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 111 25.230 -22.252 -7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.733 -24.615 -6.937 1.00 0.00 H new ATOM 0 HE2 HIS A 111 24.065 -24.171 -6.023 1.00 0.00 H new ATOM 1634 N HIS A 112 22.404 -18.771 -11.105 1.00 0.00 N ATOM 1635 CA HIS A 112 22.387 -17.737 -12.123 1.00 0.00 C ATOM 1636 C HIS A 112 21.312 -16.738 -11.748 1.00 0.00 C ATOM 1637 O HIS A 112 20.204 -17.134 -11.392 1.00 0.00 O ATOM 1638 CB HIS A 112 22.086 -18.325 -13.508 1.00 0.00 C ATOM 1639 CG HIS A 112 23.044 -19.390 -13.944 1.00 0.00 C ATOM 1640 ND1 HIS A 112 24.124 -19.144 -14.760 1.00 0.00 N ATOM 1641 CD2 HIS A 112 23.072 -20.716 -13.676 1.00 0.00 C ATOM 1642 CE1 HIS A 112 24.775 -20.271 -14.976 1.00 0.00 C ATOM 1643 NE2 HIS A 112 24.157 -21.242 -14.329 1.00 0.00 N ATOM 0 H HIS A 112 21.684 -19.484 -11.223 1.00 0.00 H new ATOM 0 HA HIS A 112 23.366 -17.260 -12.174 1.00 0.00 H new ATOM 0 HB2 HIS A 112 21.078 -18.739 -13.503 1.00 0.00 H new ATOM 0 HB3 HIS A 112 22.097 -17.520 -14.242 1.00 0.00 H new ATOM 0 HD2 HIS A 112 22.370 -21.260 -13.061 1.00 0.00 H new ATOM 0 HE1 HIS A 112 25.663 -20.381 -15.580 1.00 0.00 H new ATOM 0 HE2 HIS A 112 24.440 -22.222 -14.317 1.00 0.00 H new ATOM 1652 N HIS A 113 21.627 -15.458 -11.801 1.00 0.00 N ATOM 1653 CA HIS A 113 20.674 -14.439 -11.383 1.00 0.00 C ATOM 1654 C HIS A 113 19.605 -14.232 -12.449 1.00 0.00 C ATOM 1655 O HIS A 113 19.587 -13.227 -13.158 1.00 0.00 O ATOM 1656 CB HIS A 113 21.384 -13.126 -11.047 1.00 0.00 C ATOM 1657 CG HIS A 113 22.389 -13.268 -9.944 1.00 0.00 C ATOM 1658 ND1 HIS A 113 23.543 -12.524 -9.878 1.00 0.00 N ATOM 1659 CD2 HIS A 113 22.412 -14.089 -8.866 1.00 0.00 C ATOM 1660 CE1 HIS A 113 24.234 -12.882 -8.813 1.00 0.00 C ATOM 1661 NE2 HIS A 113 23.571 -13.830 -8.180 1.00 0.00 N ATOM 0 H HIS A 113 22.525 -15.098 -12.125 1.00 0.00 H new ATOM 0 HA HIS A 113 20.181 -14.787 -10.476 1.00 0.00 H new ATOM 0 HB2 HIS A 113 21.884 -12.751 -11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 113 20.642 -12.381 -10.761 1.00 0.00 H new ATOM 0 HD2 HIS A 113 21.657 -14.813 -8.597 1.00 0.00 H new ATOM 0 HE1 HIS A 113 25.184 -12.468 -8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 113 23.871 -14.294 -7.322 1.00 0.00 H new ATOM 1670 N HIS A 114 18.740 -15.225 -12.565 1.00 0.00 N ATOM 1671 CA HIS A 114 17.632 -15.208 -13.500 1.00 0.00 C ATOM 1672 C HIS A 114 16.456 -15.952 -12.898 1.00 0.00 C ATOM 1673 O HIS A 114 15.475 -15.295 -12.503 1.00 0.00 O ATOM 1674 CB HIS A 114 18.030 -15.855 -14.829 1.00 0.00 C ATOM 1675 CG HIS A 114 18.280 -14.872 -15.926 1.00 0.00 C ATOM 1676 ND1 HIS A 114 19.541 -14.493 -16.327 1.00 0.00 N ATOM 1677 CD2 HIS A 114 17.417 -14.203 -16.722 1.00 0.00 C ATOM 1678 CE1 HIS A 114 19.442 -13.634 -17.326 1.00 0.00 C ATOM 1679 NE2 HIS A 114 18.162 -13.442 -17.586 1.00 0.00 N ATOM 1680 OXT HIS A 114 16.536 -17.196 -12.794 1.00 0.00 O ATOM 0 H HIS A 114 18.790 -16.076 -12.005 1.00 0.00 H new ATOM 0 HA HIS A 114 17.354 -14.172 -13.695 1.00 0.00 H new ATOM 0 HB2 HIS A 114 18.929 -16.452 -14.677 1.00 0.00 H new ATOM 0 HB3 HIS A 114 17.241 -16.540 -15.140 1.00 0.00 H new ATOM 0 HD2 HIS A 114 16.339 -14.258 -16.685 1.00 0.00 H new ATOM 0 HE1 HIS A 114 20.268 -13.168 -17.842 1.00 0.00 H new ATOM 0 HE2 HIS A 114 17.789 -12.829 -18.310 1.00 0.00 H new TER 1689 HIS A 114