USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=33 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 98 ASN : amide:sc= 0.382 K(o=0.38,f=-1.6) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -47:sc= 1.65 USER MOD Set 2.2: A 78 TYR OH : rot -147:sc= 0.708 USER MOD Set 3.1: A 76 ASN : amide:sc= -3.44! K(o=-6.8!,f=-2.9) USER MOD Set 3.2: A 106 THR OG1 : rot 66:sc= 0.432 USER MOD Set 3.3: A 111 HIS : no HE2:sc= -3.76! K(o=-6.8!,f=-2.2) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 68 HIS : no HD1:sc= 0.706 K(o=0.71,f=-3.6!) USER MOD Set 5.1: A 41 SER OG : rot 180:sc= -0.202 USER MOD Set 5.2: A 51 THR OG1 : rot -96:sc=0.000288 USER MOD Set 6.1: A 39 ASN : amide:sc= 1.09 K(o=2.3,f=-0.58) USER MOD Set 6.2: A 53 THR OG1 : rot -87:sc= 1.2 USER MOD Set 7.1: A 26 THR OG1 : rot -55:sc= 1.3 USER MOD Set 7.2: A 64 ASN : amide:sc= 0.871 K(o=2.2,f=-4.1!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.145 (180deg=-0.659) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0159 (180deg=-0.181) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.71 K(o=-0.71,f=-0.029) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 21 ASN : amide:sc= -4.17! C(o=-4.2!,f=-4.6!) USER MOD Single : A 23 MET CE :methyl -142:sc= -0.526 (180deg=-3.38!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.96 K(o=2,f=-3.8!) USER MOD Single : A 30 GLN : amide:sc= 1.2 K(o=1.2,f=-0.52) USER MOD Single : A 32 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.087) USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= 0.765 (180deg=-0.195) USER MOD Single : A 35 SER OG : rot -90:sc= -2.42! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00253 USER MOD Single : A 37 SER OG : rot -11:sc= 0.768 USER MOD Single : A 52 GLN : amide:sc= 0.58 K(o=0.58,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 56 SER OG : rot 34:sc= 1.19 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 61 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.4) USER MOD Single : A 62 SER OG : rot 37:sc= 0.00771 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 77 SER OG : rot 46:sc= 0.0383 USER MOD Single : A 79 THR OG1 : rot 117:sc= 0.325 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.689 K(o=0.69,f=-0.4) USER MOD Single : A 91 ASN : amide:sc=-0.00975 K(o=-0.0098,f=-1.4) USER MOD Single : A 94 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.2) USER MOD Single : A 96 SER OG : rot 25:sc= 1.25 USER MOD Single : A 97 ASN : amide:sc= 0.195 K(o=0.19,f=-1.5!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0.954 K(o=0.95,f=-4.3!) 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 -15.149 16.038 -6.754 1.00 0.00 N ATOM 2 CA MET A 1 -14.098 15.202 -7.374 1.00 0.00 C ATOM 3 C MET A 1 -13.740 14.045 -6.456 1.00 0.00 C ATOM 4 O MET A 1 -13.609 14.225 -5.248 1.00 0.00 O ATOM 5 CB MET A 1 -12.853 16.043 -7.660 1.00 0.00 C ATOM 6 CG MET A 1 -13.103 17.199 -8.615 1.00 0.00 C ATOM 7 SD MET A 1 -11.608 18.139 -8.988 1.00 0.00 S ATOM 8 CE MET A 1 -11.135 18.692 -7.350 1.00 0.00 C ATOM 0 H1 MET A 1 -15.518 16.710 -7.457 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.922 15.430 -6.417 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.747 16.563 -5.951 1.00 0.00 H new ATOM 0 HA MET A 1 -14.479 14.804 -8.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.468 16.437 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.079 15.399 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.524 16.812 -9.543 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.847 17.867 -8.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.453 19.538 -7.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.024 18.996 -6.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.640 17.878 -6.820 1.00 0.00 H new ATOM 20 N ILE A 2 -13.600 12.854 -7.024 1.00 0.00 N ATOM 21 CA ILE A 2 -13.304 11.670 -6.233 1.00 0.00 C ATOM 22 C ILE A 2 -11.911 11.118 -6.575 1.00 0.00 C ATOM 23 O ILE A 2 -11.483 11.170 -7.733 1.00 0.00 O ATOM 24 CB ILE A 2 -14.390 10.582 -6.453 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.460 9.632 -5.257 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.142 9.800 -7.736 1.00 0.00 C ATOM 27 CD1 ILE A 2 -14.954 10.291 -3.987 1.00 0.00 C ATOM 0 H ILE A 2 -13.687 12.684 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.308 11.955 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.349 11.092 -6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -15.118 8.799 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.470 9.214 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.920 9.047 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.159 10.482 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.169 9.311 -7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.977 9.557 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -14.283 11.106 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.957 10.685 -4.148 1.00 0.00 H new ATOM 39 N PRO A 3 -11.162 10.637 -5.567 1.00 0.00 N ATOM 40 CA PRO A 3 -9.890 9.955 -5.774 1.00 0.00 C ATOM 41 C PRO A 3 -10.070 8.448 -5.978 1.00 0.00 C ATOM 42 O PRO A 3 -11.178 7.921 -5.847 1.00 0.00 O ATOM 43 CB PRO A 3 -9.119 10.229 -4.472 1.00 0.00 C ATOM 44 CG PRO A 3 -10.095 10.862 -3.521 1.00 0.00 C ATOM 45 CD PRO A 3 -11.462 10.744 -4.140 1.00 0.00 C ATOM 0 HA PRO A 3 -9.379 10.309 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.718 9.304 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.272 10.890 -4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.067 10.363 -2.553 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.840 11.908 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.998 9.869 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.082 11.613 -3.921 1.00 0.00 H new ATOM 53 N ASP A 4 -8.980 7.765 -6.295 1.00 0.00 N ATOM 54 CA ASP A 4 -9.001 6.323 -6.504 1.00 0.00 C ATOM 55 C ASP A 4 -7.631 5.755 -6.148 1.00 0.00 C ATOM 56 O ASP A 4 -6.667 5.941 -6.886 1.00 0.00 O ATOM 57 CB ASP A 4 -9.353 6.021 -7.963 1.00 0.00 C ATOM 58 CG ASP A 4 -9.661 4.563 -8.218 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.815 4.143 -7.989 1.00 0.00 O ATOM 60 OD2 ASP A 4 -8.777 3.839 -8.701 1.00 0.00 O ATOM 0 H ASP A 4 -8.061 8.191 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.755 5.859 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.214 6.623 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.523 6.326 -8.600 1.00 0.00 H new ATOM 65 N LEU A 5 -7.540 5.084 -5.009 1.00 0.00 N ATOM 66 CA LEU A 5 -6.247 4.712 -4.451 1.00 0.00 C ATOM 67 C LEU A 5 -5.903 3.265 -4.761 1.00 0.00 C ATOM 68 O LEU A 5 -6.410 2.344 -4.133 1.00 0.00 O ATOM 69 CB LEU A 5 -6.246 4.953 -2.941 1.00 0.00 C ATOM 70 CG LEU A 5 -6.420 6.418 -2.533 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.511 6.550 -1.022 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.270 7.253 -3.071 1.00 0.00 C ATOM 0 H LEU A 5 -8.343 4.787 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.483 5.336 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.047 4.366 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.308 4.582 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.351 6.787 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.634 7.600 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.366 5.980 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.598 6.165 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.405 8.293 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.329 6.880 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.249 7.186 -4.159 1.00 0.00 H new ATOM 84 N VAL A 6 -5.017 3.076 -5.724 1.00 0.00 N ATOM 85 CA VAL A 6 -4.702 1.747 -6.216 1.00 0.00 C ATOM 86 C VAL A 6 -3.261 1.360 -5.907 1.00 0.00 C ATOM 87 O VAL A 6 -2.321 1.999 -6.383 1.00 0.00 O ATOM 88 CB VAL A 6 -4.910 1.660 -7.743 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.866 0.214 -8.211 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.213 2.327 -8.153 1.00 0.00 C ATOM 0 H VAL A 6 -4.502 3.829 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.377 1.059 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.094 2.196 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.015 0.176 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.897 -0.219 -7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.655 -0.353 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.336 2.252 -9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.047 1.831 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.191 3.377 -7.862 1.00 0.00 H new ATOM 100 N PRO A 7 -3.063 0.317 -5.092 1.00 0.00 N ATOM 101 CA PRO A 7 -1.757 -0.293 -4.906 1.00 0.00 C ATOM 102 C PRO A 7 -1.449 -1.218 -6.077 1.00 0.00 C ATOM 103 O PRO A 7 -2.003 -2.309 -6.180 1.00 0.00 O ATOM 104 CB PRO A 7 -1.894 -1.087 -3.597 1.00 0.00 C ATOM 105 CG PRO A 7 -3.294 -0.854 -3.109 1.00 0.00 C ATOM 106 CD PRO A 7 -4.084 -0.349 -4.284 1.00 0.00 C ATOM 0 HA PRO A 7 -0.946 0.434 -4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.712 -2.149 -3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.164 -0.751 -2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.726 -1.776 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.304 -0.129 -2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.565 -1.162 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.871 0.340 -3.977 1.00 0.00 H new ATOM 114 N VAL A 8 -0.587 -0.764 -6.972 1.00 0.00 N ATOM 115 CA VAL A 8 -0.377 -1.451 -8.239 1.00 0.00 C ATOM 116 C VAL A 8 0.761 -2.464 -8.173 1.00 0.00 C ATOM 117 O VAL A 8 0.887 -3.312 -9.053 1.00 0.00 O ATOM 118 CB VAL A 8 -0.103 -0.454 -9.385 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.305 0.449 -9.608 1.00 0.00 C ATOM 120 CG2 VAL A 8 1.143 0.373 -9.102 1.00 0.00 C ATOM 0 H VAL A 8 -0.022 0.076 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.303 -1.989 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 8 0.071 -1.027 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.092 1.145 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.172 -0.158 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.514 1.009 -8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.313 1.067 -9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.006 0.933 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.004 -0.288 -9.001 1.00 0.00 H new ATOM 130 N SER A 9 1.589 -2.384 -7.139 1.00 0.00 N ATOM 131 CA SER A 9 2.735 -3.274 -7.040 1.00 0.00 C ATOM 132 C SER A 9 3.241 -3.376 -5.606 1.00 0.00 C ATOM 133 O SER A 9 3.007 -2.487 -4.783 1.00 0.00 O ATOM 134 CB SER A 9 3.856 -2.786 -7.962 1.00 0.00 C ATOM 135 OG SER A 9 4.944 -3.695 -7.986 1.00 0.00 O ATOM 0 H SER A 9 1.490 -1.722 -6.369 1.00 0.00 H new ATOM 0 HA SER A 9 2.417 -4.269 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.467 -2.656 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.204 -1.809 -7.627 1.00 0.00 H new ATOM 0 HG SER A 9 5.641 -3.355 -8.585 1.00 0.00 H new ATOM 141 N LEU A 10 3.928 -4.476 -5.330 1.00 0.00 N ATOM 142 CA LEU A 10 4.523 -4.738 -4.031 1.00 0.00 C ATOM 143 C LEU A 10 5.866 -5.429 -4.229 1.00 0.00 C ATOM 144 O LEU A 10 5.927 -6.550 -4.729 1.00 0.00 O ATOM 145 CB LEU A 10 3.590 -5.614 -3.189 1.00 0.00 C ATOM 146 CG LEU A 10 4.151 -6.079 -1.842 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.417 -4.898 -0.922 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.194 -7.058 -1.185 1.00 0.00 C ATOM 0 H LEU A 10 4.088 -5.218 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 10 4.676 -3.797 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.669 -5.061 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.323 -6.494 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 10 5.100 -6.582 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.815 -5.258 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.141 -4.229 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.487 -4.359 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.604 -7.381 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.232 -6.572 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.058 -7.924 -1.833 1.00 0.00 H new ATOM 160 N THR A 11 6.937 -4.753 -3.858 1.00 0.00 N ATOM 161 CA THR A 11 8.276 -5.278 -4.073 1.00 0.00 C ATOM 162 C THR A 11 9.078 -5.278 -2.775 1.00 0.00 C ATOM 163 O THR A 11 8.900 -4.398 -1.936 1.00 0.00 O ATOM 164 CB THR A 11 9.019 -4.458 -5.144 1.00 0.00 C ATOM 165 OG1 THR A 11 8.803 -3.057 -4.923 1.00 0.00 O ATOM 166 CG2 THR A 11 8.551 -4.836 -6.544 1.00 0.00 C ATOM 0 H THR A 11 6.908 -3.839 -3.406 1.00 0.00 H new ATOM 0 HA THR A 11 8.176 -6.306 -4.422 1.00 0.00 H new ATOM 0 HB THR A 11 10.083 -4.680 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.279 -2.541 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.092 -4.242 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.744 -5.894 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.482 -4.642 -6.635 1.00 0.00 H new ATOM 174 N PRO A 12 9.959 -6.270 -2.577 1.00 0.00 N ATOM 175 CA PRO A 12 10.176 -7.356 -3.537 1.00 0.00 C ATOM 176 C PRO A 12 9.078 -8.415 -3.479 1.00 0.00 C ATOM 177 O PRO A 12 8.406 -8.571 -2.461 1.00 0.00 O ATOM 178 CB PRO A 12 11.506 -7.954 -3.082 1.00 0.00 C ATOM 179 CG PRO A 12 11.545 -7.703 -1.614 1.00 0.00 C ATOM 180 CD PRO A 12 10.826 -6.400 -1.391 1.00 0.00 C ATOM 0 HA PRO A 12 10.173 -6.998 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.559 -9.020 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.348 -7.481 -3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.061 -8.513 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.573 -7.646 -1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.244 -6.417 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.524 -5.566 -1.312 1.00 0.00 H new ATOM 188 N VAL A 13 8.896 -9.138 -4.575 1.00 0.00 N ATOM 189 CA VAL A 13 7.919 -10.219 -4.615 1.00 0.00 C ATOM 190 C VAL A 13 8.491 -11.473 -3.962 1.00 0.00 C ATOM 191 O VAL A 13 7.754 -12.365 -3.539 1.00 0.00 O ATOM 192 CB VAL A 13 7.473 -10.540 -6.060 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.768 -9.344 -6.681 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.658 -10.967 -6.919 1.00 0.00 C ATOM 0 H VAL A 13 9.409 -8.997 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 13 7.042 -9.885 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 13 6.771 -11.373 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.462 -9.590 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.889 -9.092 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.448 -8.492 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.314 -11.186 -7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.392 -10.162 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.116 -11.858 -6.490 1.00 0.00 H new ATOM 204 N THR A 14 9.812 -11.536 -3.892 1.00 0.00 N ATOM 205 CA THR A 14 10.490 -12.619 -3.233 1.00 0.00 C ATOM 206 C THR A 14 11.305 -12.095 -2.050 1.00 0.00 C ATOM 207 O THR A 14 12.112 -11.173 -2.194 1.00 0.00 O ATOM 208 CB THR A 14 11.398 -13.358 -4.221 1.00 0.00 C ATOM 209 OG1 THR A 14 12.057 -12.420 -5.085 1.00 0.00 O ATOM 210 CG2 THR A 14 10.606 -14.356 -5.052 1.00 0.00 C ATOM 0 H THR A 14 10.435 -10.834 -4.293 1.00 0.00 H new ATOM 0 HA THR A 14 9.744 -13.319 -2.857 1.00 0.00 H new ATOM 0 HB THR A 14 12.145 -13.906 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.636 -12.903 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.276 -14.866 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.139 -15.088 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.835 -13.830 -5.614 1.00 0.00 H new ATOM 218 N VAL A 15 11.088 -12.680 -0.882 1.00 0.00 N ATOM 219 CA VAL A 15 11.686 -12.177 0.342 1.00 0.00 C ATOM 220 C VAL A 15 12.700 -13.161 0.920 1.00 0.00 C ATOM 221 O VAL A 15 12.500 -14.375 0.885 1.00 0.00 O ATOM 222 CB VAL A 15 10.599 -11.872 1.399 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.713 -10.725 0.940 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.759 -13.109 1.690 1.00 0.00 C ATOM 0 H VAL A 15 10.501 -13.505 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 15 12.209 -11.255 0.087 1.00 0.00 H new ATOM 0 HB VAL A 15 11.100 -11.576 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.955 -10.526 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.321 -9.833 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.227 -10.993 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.002 -12.868 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.272 -13.442 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.401 -13.904 2.069 1.00 0.00 H new ATOM 234 N VAL A 16 13.804 -12.631 1.430 1.00 0.00 N ATOM 235 CA VAL A 16 14.792 -13.442 2.104 1.00 0.00 C ATOM 236 C VAL A 16 14.490 -13.517 3.599 1.00 0.00 C ATOM 237 O VAL A 16 14.353 -12.491 4.262 1.00 0.00 O ATOM 238 CB VAL A 16 16.213 -12.883 1.886 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.680 -13.153 0.465 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.271 -11.390 2.188 1.00 0.00 C ATOM 0 H VAL A 16 14.032 -11.638 1.386 1.00 0.00 H new ATOM 0 HA VAL A 16 14.746 -14.444 1.678 1.00 0.00 H new ATOM 0 HB VAL A 16 16.882 -13.394 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.684 -12.752 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.691 -14.228 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.000 -12.673 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.285 -11.025 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.584 -10.859 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.985 -11.217 3.226 1.00 0.00 H new ATOM 250 N PRO A 17 14.360 -14.730 4.152 1.00 0.00 N ATOM 251 CA PRO A 17 14.105 -14.927 5.577 1.00 0.00 C ATOM 252 C PRO A 17 15.385 -14.804 6.403 1.00 0.00 C ATOM 253 O PRO A 17 15.687 -15.658 7.237 1.00 0.00 O ATOM 254 CB PRO A 17 13.546 -16.358 5.656 1.00 0.00 C ATOM 255 CG PRO A 17 13.521 -16.883 4.253 1.00 0.00 C ATOM 256 CD PRO A 17 14.437 -16.010 3.447 1.00 0.00 C ATOM 0 HA PRO A 17 13.424 -14.177 5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.171 -16.984 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.546 -16.360 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.851 -17.921 4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.509 -16.858 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.454 -16.401 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.107 -15.923 2.412 1.00 0.00 H new ATOM 264 N ASN A 18 16.129 -13.731 6.170 1.00 0.00 N ATOM 265 CA ASN A 18 17.419 -13.543 6.820 1.00 0.00 C ATOM 266 C ASN A 18 17.416 -12.315 7.719 1.00 0.00 C ATOM 267 O ASN A 18 18.325 -12.135 8.527 1.00 0.00 O ATOM 268 CB ASN A 18 18.529 -13.382 5.775 1.00 0.00 C ATOM 269 CG ASN A 18 18.698 -14.590 4.871 1.00 0.00 C ATOM 270 OD1 ASN A 18 19.058 -14.450 3.703 1.00 0.00 O ATOM 271 ND2 ASN A 18 18.450 -15.782 5.395 1.00 0.00 N ATOM 0 H ASN A 18 15.862 -12.978 5.536 1.00 0.00 H new ATOM 0 HA ASN A 18 17.604 -14.429 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.313 -12.508 5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 18 19.472 -13.188 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.556 -16.622 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.153 -15.860 6.368 1.00 0.00 H new ATOM 278 N THR A 19 16.401 -11.471 7.582 1.00 0.00 N ATOM 279 CA THR A 19 16.403 -10.184 8.258 1.00 0.00 C ATOM 280 C THR A 19 15.020 -9.531 8.188 1.00 0.00 C ATOM 281 O THR A 19 14.032 -10.186 7.840 1.00 0.00 O ATOM 282 CB THR A 19 17.467 -9.254 7.613 1.00 0.00 C ATOM 283 OG1 THR A 19 17.623 -8.043 8.368 1.00 0.00 O ATOM 284 CG2 THR A 19 17.096 -8.917 6.171 1.00 0.00 C ATOM 0 H THR A 19 15.574 -11.654 7.014 1.00 0.00 H new ATOM 0 HA THR A 19 16.652 -10.343 9.307 1.00 0.00 H new ATOM 0 HB THR A 19 18.415 -9.793 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.299 -7.476 7.942 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.857 -8.265 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.034 -9.835 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.131 -8.410 6.153 1.00 0.00 H new ATOM 292 N VAL A 20 14.955 -8.254 8.547 1.00 0.00 N ATOM 293 CA VAL A 20 13.736 -7.477 8.411 1.00 0.00 C ATOM 294 C VAL A 20 13.676 -6.883 7.012 1.00 0.00 C ATOM 295 O VAL A 20 14.491 -6.031 6.652 1.00 0.00 O ATOM 296 CB VAL A 20 13.653 -6.341 9.451 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.344 -5.581 9.317 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.805 -6.894 10.855 1.00 0.00 C ATOM 0 H VAL A 20 15.741 -7.734 8.937 1.00 0.00 H new ATOM 0 HA VAL A 20 12.893 -8.146 8.583 1.00 0.00 H new ATOM 0 HB VAL A 20 14.471 -5.646 9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.308 -4.785 10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.275 -5.149 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.509 -6.264 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.744 -6.079 11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.009 -7.612 11.051 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.772 -7.389 10.948 1.00 0.00 H new ATOM 308 N ASN A 21 12.716 -7.335 6.233 1.00 0.00 N ATOM 309 CA ASN A 21 12.643 -6.983 4.828 1.00 0.00 C ATOM 310 C ASN A 21 11.862 -5.697 4.623 1.00 0.00 C ATOM 311 O ASN A 21 10.821 -5.477 5.246 1.00 0.00 O ATOM 312 CB ASN A 21 12.004 -8.122 4.032 1.00 0.00 C ATOM 313 CG ASN A 21 12.860 -9.375 4.022 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.656 -9.614 4.926 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.696 -10.193 3.001 1.00 0.00 N ATOM 0 H ASN A 21 11.969 -7.952 6.551 1.00 0.00 H new ATOM 0 HA ASN A 21 13.659 -6.821 4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.028 -8.356 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.834 -7.794 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.239 -11.055 2.945 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.026 -9.964 2.267 1.00 0.00 H new ATOM 322 N THR A 22 12.381 -4.846 3.757 1.00 0.00 N ATOM 323 CA THR A 22 11.726 -3.596 3.428 1.00 0.00 C ATOM 324 C THR A 22 10.761 -3.797 2.266 1.00 0.00 C ATOM 325 O THR A 22 11.175 -3.953 1.118 1.00 0.00 O ATOM 326 CB THR A 22 12.760 -2.517 3.066 1.00 0.00 C ATOM 327 OG1 THR A 22 13.728 -2.406 4.118 1.00 0.00 O ATOM 328 CG2 THR A 22 12.087 -1.171 2.848 1.00 0.00 C ATOM 0 H THR A 22 13.261 -5.001 3.266 1.00 0.00 H new ATOM 0 HA THR A 22 11.168 -3.263 4.303 1.00 0.00 H new ATOM 0 HB THR A 22 13.254 -2.810 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.387 -1.719 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.840 -0.425 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.366 -1.252 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.572 -0.870 3.760 1.00 0.00 H new ATOM 336 N MET A 23 9.475 -3.810 2.574 1.00 0.00 N ATOM 337 CA MET A 23 8.455 -4.029 1.565 1.00 0.00 C ATOM 338 C MET A 23 7.968 -2.696 1.020 1.00 0.00 C ATOM 339 O MET A 23 7.464 -1.856 1.762 1.00 0.00 O ATOM 340 CB MET A 23 7.287 -4.835 2.140 1.00 0.00 C ATOM 341 CG MET A 23 7.694 -6.203 2.669 1.00 0.00 C ATOM 342 SD MET A 23 8.522 -7.217 1.429 1.00 0.00 S ATOM 343 CE MET A 23 7.242 -7.348 0.185 1.00 0.00 C ATOM 0 H MET A 23 9.113 -3.671 3.517 1.00 0.00 H new ATOM 0 HA MET A 23 8.891 -4.604 0.748 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.825 -4.265 2.946 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.530 -4.964 1.367 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.355 -6.074 3.526 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.808 -6.727 3.027 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.254 -8.350 -0.245 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.270 -7.160 0.642 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.422 -6.614 -0.601 1.00 0.00 H new ATOM 353 N THR A 24 8.138 -2.505 -0.273 1.00 0.00 N ATOM 354 CA THR A 24 7.781 -1.258 -0.916 1.00 0.00 C ATOM 355 C THR A 24 6.544 -1.439 -1.791 1.00 0.00 C ATOM 356 O THR A 24 6.570 -2.181 -2.776 1.00 0.00 O ATOM 357 CB THR A 24 8.956 -0.745 -1.768 1.00 0.00 C ATOM 358 OG1 THR A 24 10.169 -0.812 -1.001 1.00 0.00 O ATOM 359 CG2 THR A 24 8.718 0.687 -2.219 1.00 0.00 C ATOM 0 H THR A 24 8.526 -3.206 -0.904 1.00 0.00 H new ATOM 0 HA THR A 24 7.555 -0.525 -0.142 1.00 0.00 H new ATOM 0 HB THR A 24 9.041 -1.375 -2.654 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.918 -0.487 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.563 1.025 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.807 0.734 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.613 1.331 -1.346 1.00 0.00 H new ATOM 367 N ALA A 25 5.458 -0.777 -1.411 1.00 0.00 N ATOM 368 CA ALA A 25 4.209 -0.867 -2.150 1.00 0.00 C ATOM 369 C ALA A 25 3.968 0.411 -2.942 1.00 0.00 C ATOM 370 O ALA A 25 4.112 1.510 -2.414 1.00 0.00 O ATOM 371 CB ALA A 25 3.051 -1.129 -1.201 1.00 0.00 C ATOM 0 H ALA A 25 5.419 -0.170 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 25 4.279 -1.700 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.123 -1.194 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.219 -2.067 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.979 -0.314 -0.481 1.00 0.00 H new ATOM 377 N THR A 26 3.606 0.263 -4.203 1.00 0.00 N ATOM 378 CA THR A 26 3.382 1.409 -5.068 1.00 0.00 C ATOM 379 C THR A 26 1.908 1.801 -5.078 1.00 0.00 C ATOM 380 O THR A 26 1.063 1.074 -5.603 1.00 0.00 O ATOM 381 CB THR A 26 3.848 1.112 -6.505 1.00 0.00 C ATOM 382 OG1 THR A 26 5.189 0.611 -6.479 1.00 0.00 O ATOM 383 CG2 THR A 26 3.792 2.365 -7.368 1.00 0.00 C ATOM 0 H THR A 26 3.460 -0.641 -4.653 1.00 0.00 H new ATOM 0 HA THR A 26 3.966 2.240 -4.673 1.00 0.00 H new ATOM 0 HB THR A 26 3.180 0.366 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.766 1.245 -6.004 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.126 2.127 -8.378 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.768 2.737 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.441 3.130 -6.942 1.00 0.00 H new ATOM 391 N ILE A 27 1.608 2.943 -4.479 1.00 0.00 N ATOM 392 CA ILE A 27 0.244 3.437 -4.399 1.00 0.00 C ATOM 393 C ILE A 27 0.036 4.545 -5.423 1.00 0.00 C ATOM 394 O ILE A 27 0.678 5.591 -5.350 1.00 0.00 O ATOM 395 CB ILE A 27 -0.070 3.993 -2.991 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.378 3.009 -1.905 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.552 4.306 -2.852 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.239 1.632 -2.010 1.00 0.00 C ATOM 0 H ILE A 27 2.299 3.550 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.426 2.602 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 27 0.488 4.920 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.463 2.911 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.134 3.429 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.749 4.696 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.838 5.050 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.132 3.396 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.135 1.003 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.323 1.713 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.026 1.186 -2.969 1.00 0.00 H new ATOM 410 N GLU A 28 -0.844 4.312 -6.382 1.00 0.00 N ATOM 411 CA GLU A 28 -1.134 5.312 -7.394 1.00 0.00 C ATOM 412 C GLU A 28 -2.580 5.771 -7.279 1.00 0.00 C ATOM 413 O GLU A 28 -3.499 4.955 -7.216 1.00 0.00 O ATOM 414 CB GLU A 28 -0.857 4.764 -8.797 1.00 0.00 C ATOM 415 CG GLU A 28 -0.956 5.824 -9.884 1.00 0.00 C ATOM 416 CD GLU A 28 -0.612 5.298 -11.261 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.585 5.283 -11.616 1.00 0.00 O ATOM 418 OE2 GLU A 28 -1.535 4.912 -12.002 1.00 0.00 O ATOM 0 H GLU A 28 -1.368 3.442 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.479 6.168 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.140 4.323 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.564 3.963 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.969 6.227 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.288 6.650 -9.640 1.00 0.00 H new ATOM 425 N ASN A 29 -2.771 7.079 -7.228 1.00 0.00 N ATOM 426 CA ASN A 29 -4.103 7.659 -7.120 1.00 0.00 C ATOM 427 C ASN A 29 -4.652 7.972 -8.506 1.00 0.00 C ATOM 428 O ASN A 29 -4.324 8.996 -9.102 1.00 0.00 O ATOM 429 CB ASN A 29 -4.051 8.923 -6.257 1.00 0.00 C ATOM 430 CG ASN A 29 -5.362 9.685 -6.215 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.446 9.117 -6.352 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.262 10.986 -6.012 1.00 0.00 N ATOM 0 H ASN A 29 -2.016 7.764 -7.260 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.770 6.941 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.768 8.648 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.270 9.581 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.103 11.561 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.344 11.416 -5.904 1.00 0.00 H new ATOM 439 N GLN A 30 -5.486 7.081 -9.011 1.00 0.00 N ATOM 440 CA GLN A 30 -6.001 7.188 -10.367 1.00 0.00 C ATOM 441 C GLN A 30 -7.374 7.857 -10.372 1.00 0.00 C ATOM 442 O GLN A 30 -8.339 7.328 -10.924 1.00 0.00 O ATOM 443 CB GLN A 30 -6.082 5.800 -11.006 1.00 0.00 C ATOM 444 CG GLN A 30 -4.771 5.032 -10.940 1.00 0.00 C ATOM 445 CD GLN A 30 -4.827 3.702 -11.665 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.884 3.077 -11.770 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.686 3.258 -12.168 1.00 0.00 N ATOM 0 H GLN A 30 -5.825 6.267 -8.498 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.319 7.807 -10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.860 5.222 -10.506 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.382 5.904 -12.049 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.977 5.642 -11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.509 4.860 -9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.833 3.806 -12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.660 2.367 -12.665 1.00 0.00 H new ATOM 456 N GLY A 31 -7.445 9.031 -9.766 1.00 0.00 N ATOM 457 CA GLY A 31 -8.687 9.773 -9.716 1.00 0.00 C ATOM 458 C GLY A 31 -8.446 11.261 -9.820 1.00 0.00 C ATOM 459 O GLY A 31 -7.332 11.726 -9.582 1.00 0.00 O ATOM 0 H GLY A 31 -6.658 9.487 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.338 9.451 -10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.207 9.552 -8.784 1.00 0.00 H new ATOM 463 N ASN A 32 -9.484 12.010 -10.163 1.00 0.00 N ATOM 464 CA ASN A 32 -9.344 13.446 -10.407 1.00 0.00 C ATOM 465 C ASN A 32 -9.485 14.235 -9.103 1.00 0.00 C ATOM 466 O ASN A 32 -10.211 15.219 -9.026 1.00 0.00 O ATOM 467 CB ASN A 32 -10.380 13.917 -11.436 1.00 0.00 C ATOM 468 CG ASN A 32 -10.033 15.265 -12.055 1.00 0.00 C ATOM 469 OD1 ASN A 32 -9.308 15.336 -13.048 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.542 16.342 -11.480 1.00 0.00 N ATOM 0 H ASN A 32 -10.432 11.652 -10.280 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.348 13.629 -10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.464 13.171 -12.226 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.356 13.984 -10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.337 17.267 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.139 16.248 -10.658 1.00 0.00 H new ATOM 477 N LYS A 33 -8.796 13.774 -8.075 1.00 0.00 N ATOM 478 CA LYS A 33 -8.728 14.480 -6.807 1.00 0.00 C ATOM 479 C LYS A 33 -7.538 13.961 -6.027 1.00 0.00 C ATOM 480 O LYS A 33 -7.197 12.786 -6.141 1.00 0.00 O ATOM 481 CB LYS A 33 -10.000 14.273 -5.984 1.00 0.00 C ATOM 482 CG LYS A 33 -10.031 15.106 -4.712 1.00 0.00 C ATOM 483 CD LYS A 33 -10.965 14.515 -3.673 1.00 0.00 C ATOM 484 CE LYS A 33 -10.985 15.345 -2.397 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.612 15.624 -1.888 1.00 0.00 N ATOM 0 H LYS A 33 -8.268 12.901 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.625 15.547 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.866 14.524 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.089 13.219 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.025 15.175 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.348 16.121 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.973 14.453 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.653 13.497 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.500 16.287 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.555 14.818 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.628 15.663 -0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.967 14.868 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.281 16.536 -2.263 1.00 0.00 H new ATOM 499 N ASP A 34 -6.894 14.823 -5.260 1.00 0.00 N ATOM 500 CA ASP A 34 -5.784 14.395 -4.422 1.00 0.00 C ATOM 501 C ASP A 34 -6.305 13.667 -3.192 1.00 0.00 C ATOM 502 O ASP A 34 -7.409 13.943 -2.708 1.00 0.00 O ATOM 503 CB ASP A 34 -4.932 15.588 -3.974 1.00 0.00 C ATOM 504 CG ASP A 34 -5.567 16.372 -2.838 1.00 0.00 C ATOM 505 OD1 ASP A 34 -6.424 17.233 -3.114 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.210 16.128 -1.665 1.00 0.00 O ATOM 0 H ASP A 34 -7.117 15.816 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.163 13.724 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.952 15.230 -3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.771 16.253 -4.823 1.00 0.00 H new ATOM 511 N SER A 35 -5.522 12.726 -2.704 1.00 0.00 N ATOM 512 CA SER A 35 -5.816 12.070 -1.449 1.00 0.00 C ATOM 513 C SER A 35 -4.878 12.607 -0.381 1.00 0.00 C ATOM 514 O SER A 35 -3.665 12.660 -0.586 1.00 0.00 O ATOM 515 CB SER A 35 -5.661 10.559 -1.599 1.00 0.00 C ATOM 516 OG SER A 35 -4.435 10.238 -2.234 1.00 0.00 O ATOM 0 H SER A 35 -4.672 12.398 -3.162 1.00 0.00 H new ATOM 0 HA SER A 35 -6.846 12.274 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.702 10.086 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.492 10.160 -2.180 1.00 0.00 H new ATOM 0 HG SER A 35 -4.569 10.201 -3.204 1.00 0.00 H new ATOM 522 N THR A 36 -5.431 13.023 0.742 1.00 0.00 N ATOM 523 CA THR A 36 -4.631 13.624 1.795 1.00 0.00 C ATOM 524 C THR A 36 -4.015 12.533 2.680 1.00 0.00 C ATOM 525 O THR A 36 -3.710 11.446 2.190 1.00 0.00 O ATOM 526 CB THR A 36 -5.495 14.596 2.618 1.00 0.00 C ATOM 527 OG1 THR A 36 -6.518 15.134 1.769 1.00 0.00 O ATOM 528 CG2 THR A 36 -4.657 15.746 3.165 1.00 0.00 C ATOM 0 H THR A 36 -6.427 12.957 0.950 1.00 0.00 H new ATOM 0 HA THR A 36 -3.814 14.192 1.350 1.00 0.00 H new ATOM 0 HB THR A 36 -5.929 14.052 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.077 15.754 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.293 16.417 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.870 15.350 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.208 16.295 2.337 1.00 0.00 H new ATOM 536 N SER A 37 -3.820 12.816 3.960 1.00 0.00 N ATOM 537 CA SER A 37 -3.158 11.879 4.852 1.00 0.00 C ATOM 538 C SER A 37 -3.981 10.606 5.033 1.00 0.00 C ATOM 539 O SER A 37 -5.031 10.616 5.674 1.00 0.00 O ATOM 540 CB SER A 37 -2.896 12.542 6.202 1.00 0.00 C ATOM 541 OG SER A 37 -2.058 13.679 6.051 1.00 0.00 O ATOM 0 H SER A 37 -4.111 13.687 4.403 1.00 0.00 H new ATOM 0 HA SER A 37 -2.206 11.596 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.841 12.839 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.428 11.827 6.879 1.00 0.00 H new ATOM 0 HG SER A 37 -1.682 13.690 5.146 1.00 0.00 H new ATOM 547 N PHE A 38 -3.502 9.517 4.448 1.00 0.00 N ATOM 548 CA PHE A 38 -4.163 8.228 4.581 1.00 0.00 C ATOM 549 C PHE A 38 -3.193 7.200 5.157 1.00 0.00 C ATOM 550 O PHE A 38 -1.975 7.335 5.021 1.00 0.00 O ATOM 551 CB PHE A 38 -4.722 7.755 3.232 1.00 0.00 C ATOM 552 CG PHE A 38 -3.681 7.507 2.176 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.070 6.271 2.075 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.316 8.505 1.284 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.119 6.031 1.107 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.362 8.267 0.311 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.762 7.026 0.227 1.00 0.00 C ATOM 0 H PHE A 38 -2.657 9.501 3.876 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.003 8.339 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.287 6.836 3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.425 8.502 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.341 5.484 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.781 9.477 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.653 5.059 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.087 9.049 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.014 6.837 -0.528 1.00 0.00 H new ATOM 567 N ASN A 39 -3.728 6.179 5.800 1.00 0.00 N ATOM 568 CA ASN A 39 -2.897 5.189 6.472 1.00 0.00 C ATOM 569 C ASN A 39 -2.850 3.890 5.686 1.00 0.00 C ATOM 570 O ASN A 39 -3.831 3.161 5.625 1.00 0.00 O ATOM 571 CB ASN A 39 -3.431 4.914 7.878 1.00 0.00 C ATOM 572 CG ASN A 39 -3.487 6.164 8.732 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.523 6.504 9.419 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.614 6.860 8.690 1.00 0.00 N ATOM 0 H ASN A 39 -4.731 6.011 5.873 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.887 5.593 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.429 4.482 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.797 4.173 8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.707 7.714 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.388 6.542 8.107 1.00 0.00 H new ATOM 581 N VAL A 40 -1.701 3.575 5.118 1.00 0.00 N ATOM 582 CA VAL A 40 -1.562 2.351 4.349 1.00 0.00 C ATOM 583 C VAL A 40 -0.927 1.270 5.214 1.00 0.00 C ATOM 584 O VAL A 40 0.162 1.447 5.766 1.00 0.00 O ATOM 585 CB VAL A 40 -0.756 2.586 3.041 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.136 1.405 2.707 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.703 2.836 1.888 1.00 0.00 C ATOM 0 H VAL A 40 -0.856 4.144 5.173 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.554 2.015 4.047 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.121 3.458 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.682 1.610 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.844 1.243 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.476 0.513 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.130 3.000 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.354 1.971 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.309 3.717 2.099 1.00 0.00 H new ATOM 597 N SER A 41 -1.650 0.171 5.367 1.00 0.00 N ATOM 598 CA SER A 41 -1.235 -0.911 6.241 1.00 0.00 C ATOM 599 C SER A 41 -0.934 -2.162 5.431 1.00 0.00 C ATOM 600 O SER A 41 -1.666 -2.500 4.497 1.00 0.00 O ATOM 601 CB SER A 41 -2.344 -1.203 7.250 1.00 0.00 C ATOM 602 OG SER A 41 -2.798 -0.009 7.869 1.00 0.00 O ATOM 0 H SER A 41 -2.537 0.006 4.890 1.00 0.00 H new ATOM 0 HA SER A 41 -0.329 -0.612 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.177 -1.695 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.977 -1.893 8.009 1.00 0.00 H new ATOM 0 HG SER A 41 -3.509 -0.222 8.509 1.00 0.00 H new ATOM 608 N LEU A 42 0.148 -2.838 5.783 1.00 0.00 N ATOM 609 CA LEU A 42 0.489 -4.096 5.150 1.00 0.00 C ATOM 610 C LEU A 42 -0.009 -5.257 5.999 1.00 0.00 C ATOM 611 O LEU A 42 0.479 -5.488 7.109 1.00 0.00 O ATOM 612 CB LEU A 42 1.999 -4.221 4.943 1.00 0.00 C ATOM 613 CG LEU A 42 2.438 -5.500 4.229 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.903 -5.532 2.805 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.949 -5.626 4.236 1.00 0.00 C ATOM 0 H LEU A 42 0.803 -2.535 6.504 1.00 0.00 H new ATOM 0 HA LEU A 42 0.006 -4.123 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.346 -3.362 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.491 -4.175 5.915 1.00 0.00 H new ATOM 0 HG LEU A 42 2.022 -6.351 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.227 -6.450 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.814 -5.496 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.284 -4.673 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.240 -6.543 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.388 -4.769 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.307 -5.657 5.265 1.00 0.00 H new ATOM 627 N LEU A 43 -0.994 -5.967 5.482 1.00 0.00 N ATOM 628 CA LEU A 43 -1.540 -7.118 6.172 1.00 0.00 C ATOM 629 C LEU A 43 -0.866 -8.390 5.691 1.00 0.00 C ATOM 630 O LEU A 43 -0.713 -8.605 4.494 1.00 0.00 O ATOM 631 CB LEU A 43 -3.051 -7.233 5.957 1.00 0.00 C ATOM 632 CG LEU A 43 -3.887 -6.051 6.452 1.00 0.00 C ATOM 633 CD1 LEU A 43 -4.074 -5.015 5.355 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.228 -6.540 6.970 1.00 0.00 C ATOM 0 H LEU A 43 -1.433 -5.765 4.584 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.350 -6.983 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.238 -7.365 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.402 -8.136 6.456 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.352 -5.570 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.672 -4.187 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.100 -4.643 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.584 -5.471 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.815 -5.691 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.765 -7.046 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.068 -7.235 7.795 1.00 0.00 H new ATOM 646 N VAL A 44 -0.452 -9.217 6.628 1.00 0.00 N ATOM 647 CA VAL A 44 0.083 -10.524 6.312 1.00 0.00 C ATOM 648 C VAL A 44 -0.943 -11.583 6.671 1.00 0.00 C ATOM 649 O VAL A 44 -1.084 -11.955 7.841 1.00 0.00 O ATOM 650 CB VAL A 44 1.407 -10.805 7.052 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.910 -12.208 6.743 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.457 -9.774 6.675 1.00 0.00 C ATOM 0 H VAL A 44 -0.477 -9.003 7.625 1.00 0.00 H new ATOM 0 HA VAL A 44 0.297 -10.550 5.244 1.00 0.00 H new ATOM 0 HB VAL A 44 1.219 -10.735 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.845 -12.385 7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.167 -12.939 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.079 -12.306 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.384 -9.988 7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.637 -9.814 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.104 -8.779 6.947 1.00 0.00 H new ATOM 662 N ASP A 45 -1.690 -12.012 5.658 1.00 0.00 N ATOM 663 CA ASP A 45 -2.741 -13.020 5.793 1.00 0.00 C ATOM 664 C ASP A 45 -3.951 -12.483 6.550 1.00 0.00 C ATOM 665 O ASP A 45 -5.049 -12.395 5.994 1.00 0.00 O ATOM 666 CB ASP A 45 -2.200 -14.301 6.441 1.00 0.00 C ATOM 667 CG ASP A 45 -1.408 -15.153 5.464 1.00 0.00 C ATOM 668 OD1 ASP A 45 -0.241 -14.819 5.167 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.961 -16.163 4.976 1.00 0.00 O ATOM 0 H ASP A 45 -1.582 -11.665 4.705 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.079 -13.271 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.565 -14.037 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.032 -14.884 6.837 1.00 0.00 H new ATOM 674 N GLY A 46 -3.752 -12.120 7.803 1.00 0.00 N ATOM 675 CA GLY A 46 -4.835 -11.582 8.603 1.00 0.00 C ATOM 676 C GLY A 46 -4.381 -10.546 9.620 1.00 0.00 C ATOM 677 O GLY A 46 -5.210 -9.911 10.273 1.00 0.00 O ATOM 0 H GLY A 46 -2.856 -12.187 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.575 -11.131 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.331 -12.400 9.126 1.00 0.00 H new ATOM 681 N ILE A 47 -3.072 -10.356 9.760 1.00 0.00 N ATOM 682 CA ILE A 47 -2.546 -9.425 10.758 1.00 0.00 C ATOM 683 C ILE A 47 -1.817 -8.273 10.079 1.00 0.00 C ATOM 684 O ILE A 47 -1.264 -8.436 8.998 1.00 0.00 O ATOM 685 CB ILE A 47 -1.561 -10.114 11.728 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.042 -11.524 12.082 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.398 -9.283 12.995 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.055 -12.313 12.919 1.00 0.00 C ATOM 0 H ILE A 47 -2.361 -10.828 9.202 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.402 -9.056 11.324 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.594 -10.195 11.231 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.986 -11.451 12.622 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.243 -12.071 11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.701 -9.781 13.669 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.011 -8.297 12.736 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.365 -9.176 13.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.465 -13.301 13.130 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.117 -12.418 12.373 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.872 -11.788 13.857 1.00 0.00 H new ATOM 700 N VAL A 48 -1.805 -7.118 10.720 1.00 0.00 N ATOM 701 CA VAL A 48 -1.101 -5.957 10.192 1.00 0.00 C ATOM 702 C VAL A 48 0.292 -5.884 10.805 1.00 0.00 C ATOM 703 O VAL A 48 0.433 -5.771 12.021 1.00 0.00 O ATOM 704 CB VAL A 48 -1.858 -4.644 10.489 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.139 -3.455 9.867 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.293 -4.722 9.993 1.00 0.00 C ATOM 0 H VAL A 48 -2.276 -6.956 11.610 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.034 -6.071 9.110 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.880 -4.504 11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.689 -2.541 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.133 -3.382 10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.079 -3.590 8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.806 -3.786 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.297 -4.893 8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.807 -5.543 10.493 1.00 0.00 H new ATOM 716 N VAL A 49 1.320 -5.965 9.973 1.00 0.00 N ATOM 717 CA VAL A 49 2.689 -5.985 10.476 1.00 0.00 C ATOM 718 C VAL A 49 3.301 -4.588 10.519 1.00 0.00 C ATOM 719 O VAL A 49 4.101 -4.285 11.404 1.00 0.00 O ATOM 720 CB VAL A 49 3.598 -6.921 9.650 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.192 -8.371 9.860 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.556 -6.562 8.172 1.00 0.00 C ATOM 0 H VAL A 49 1.236 -6.017 8.958 1.00 0.00 H new ATOM 0 HA VAL A 49 2.628 -6.371 11.493 1.00 0.00 H new ATOM 0 HB VAL A 49 4.623 -6.791 9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.841 -9.019 9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.285 -8.626 10.916 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.158 -8.509 9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.205 -7.237 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.534 -6.655 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.898 -5.536 8.037 1.00 0.00 H new ATOM 732 N ASP A 50 2.919 -3.737 9.577 1.00 0.00 N ATOM 733 CA ASP A 50 3.476 -2.391 9.502 1.00 0.00 C ATOM 734 C ASP A 50 2.480 -1.443 8.844 1.00 0.00 C ATOM 735 O ASP A 50 1.754 -1.832 7.926 1.00 0.00 O ATOM 736 CB ASP A 50 4.793 -2.404 8.716 1.00 0.00 C ATOM 737 CG ASP A 50 5.556 -1.098 8.827 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.309 -0.192 8.015 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.413 -0.976 9.728 1.00 0.00 O ATOM 0 H ASP A 50 2.229 -3.952 8.857 1.00 0.00 H new ATOM 0 HA ASP A 50 3.676 -2.040 10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.420 -3.218 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.582 -2.609 7.666 1.00 0.00 H new ATOM 744 N THR A 51 2.436 -0.211 9.332 1.00 0.00 N ATOM 745 CA THR A 51 1.529 0.797 8.809 1.00 0.00 C ATOM 746 C THR A 51 2.273 2.107 8.572 1.00 0.00 C ATOM 747 O THR A 51 3.018 2.573 9.438 1.00 0.00 O ATOM 748 CB THR A 51 0.359 1.053 9.783 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.299 -0.180 10.096 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.647 2.031 9.191 1.00 0.00 C ATOM 0 H THR A 51 3.026 0.115 10.098 1.00 0.00 H new ATOM 0 HA THR A 51 1.129 0.423 7.866 1.00 0.00 H new ATOM 0 HB THR A 51 0.770 1.490 10.693 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.081 -0.290 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.459 2.191 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.153 2.980 8.984 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.050 1.622 8.264 1.00 0.00 H new ATOM 758 N GLN A 52 2.071 2.699 7.405 1.00 0.00 N ATOM 759 CA GLN A 52 2.701 3.966 7.079 1.00 0.00 C ATOM 760 C GLN A 52 1.641 4.997 6.710 1.00 0.00 C ATOM 761 O GLN A 52 0.805 4.756 5.835 1.00 0.00 O ATOM 762 CB GLN A 52 3.678 3.796 5.916 1.00 0.00 C ATOM 763 CG GLN A 52 4.736 4.885 5.848 1.00 0.00 C ATOM 764 CD GLN A 52 5.055 5.313 4.428 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.927 4.745 3.772 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.364 6.337 3.948 1.00 0.00 N ATOM 0 H GLN A 52 1.475 2.321 6.668 1.00 0.00 H new ATOM 0 HA GLN A 52 3.252 4.311 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.170 2.827 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.119 3.785 4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.395 5.751 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.648 4.529 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.648 6.783 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.548 6.679 3.005 1.00 0.00 H new ATOM 775 N THR A 53 1.666 6.134 7.381 1.00 0.00 N ATOM 776 CA THR A 53 0.746 7.213 7.077 1.00 0.00 C ATOM 777 C THR A 53 1.327 8.096 5.979 1.00 0.00 C ATOM 778 O THR A 53 2.318 8.793 6.189 1.00 0.00 O ATOM 779 CB THR A 53 0.454 8.070 8.324 1.00 0.00 C ATOM 780 OG1 THR A 53 0.132 7.220 9.437 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.701 9.031 8.068 1.00 0.00 C ATOM 0 H THR A 53 2.315 6.334 8.142 1.00 0.00 H new ATOM 0 HA THR A 53 -0.190 6.769 6.739 1.00 0.00 H new ATOM 0 HB THR A 53 1.347 8.653 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.828 7.023 9.431 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.886 9.624 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.447 9.693 7.241 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.597 8.464 7.816 1.00 0.00 H new ATOM 789 N VAL A 54 0.726 8.039 4.805 1.00 0.00 N ATOM 790 CA VAL A 54 1.178 8.844 3.685 1.00 0.00 C ATOM 791 C VAL A 54 0.612 10.251 3.811 1.00 0.00 C ATOM 792 O VAL A 54 -0.602 10.422 3.931 1.00 0.00 O ATOM 793 CB VAL A 54 0.752 8.228 2.333 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.318 9.031 1.169 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.189 6.770 2.245 1.00 0.00 C ATOM 0 H VAL A 54 -0.077 7.443 4.602 1.00 0.00 H new ATOM 0 HA VAL A 54 2.267 8.876 3.708 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.336 8.264 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.005 8.578 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.948 10.055 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.407 9.035 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.880 6.355 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.274 6.709 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.727 6.202 3.052 1.00 0.00 H new ATOM 805 N THR A 55 1.497 11.243 3.810 1.00 0.00 N ATOM 806 CA THR A 55 1.108 12.638 3.982 1.00 0.00 C ATOM 807 C THR A 55 0.015 13.040 2.992 1.00 0.00 C ATOM 808 O THR A 55 -0.967 13.685 3.368 1.00 0.00 O ATOM 809 CB THR A 55 2.324 13.566 3.802 1.00 0.00 C ATOM 810 OG1 THR A 55 3.435 13.055 4.553 1.00 0.00 O ATOM 811 CG2 THR A 55 2.002 14.982 4.262 1.00 0.00 C ATOM 0 H THR A 55 2.500 11.103 3.690 1.00 0.00 H new ATOM 0 HA THR A 55 0.717 12.742 4.994 1.00 0.00 H new ATOM 0 HB THR A 55 2.579 13.599 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.208 13.646 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.877 15.617 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.172 15.375 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.726 14.968 5.316 1.00 0.00 H new ATOM 819 N SER A 56 0.186 12.631 1.740 1.00 0.00 N ATOM 820 CA SER A 56 -0.759 12.941 0.680 1.00 0.00 C ATOM 821 C SER A 56 -0.276 12.328 -0.632 1.00 0.00 C ATOM 822 O SER A 56 0.912 12.040 -0.792 1.00 0.00 O ATOM 823 CB SER A 56 -0.927 14.461 0.528 1.00 0.00 C ATOM 824 OG SER A 56 -1.901 14.783 -0.452 1.00 0.00 O ATOM 0 H SER A 56 0.985 12.075 1.434 1.00 0.00 H new ATOM 0 HA SER A 56 -1.729 12.517 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.217 14.893 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.028 14.908 0.253 1.00 0.00 H new ATOM 0 HG SER A 56 -2.614 14.110 -0.438 1.00 0.00 H new ATOM 830 N LEU A 57 -1.201 12.123 -1.556 1.00 0.00 N ATOM 831 CA LEU A 57 -0.887 11.536 -2.847 1.00 0.00 C ATOM 832 C LEU A 57 -1.596 12.306 -3.957 1.00 0.00 C ATOM 833 O LEU A 57 -2.820 12.468 -3.935 1.00 0.00 O ATOM 834 CB LEU A 57 -1.296 10.060 -2.862 1.00 0.00 C ATOM 835 CG LEU A 57 -1.093 9.327 -4.191 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.351 9.423 -4.650 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.508 7.872 -4.054 1.00 0.00 C ATOM 0 H LEU A 57 -2.186 12.358 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 57 0.188 11.598 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.731 9.538 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.349 9.991 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.719 9.805 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.468 8.894 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.621 10.470 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.002 8.973 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.360 7.360 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.903 7.392 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.560 7.819 -3.774 1.00 0.00 H new ATOM 849 N GLU A 58 -0.816 12.789 -4.913 1.00 0.00 N ATOM 850 CA GLU A 58 -1.343 13.582 -6.016 1.00 0.00 C ATOM 851 C GLU A 58 -2.136 12.730 -6.997 1.00 0.00 C ATOM 852 O GLU A 58 -2.001 11.506 -7.032 1.00 0.00 O ATOM 853 CB GLU A 58 -0.204 14.286 -6.752 1.00 0.00 C ATOM 854 CG GLU A 58 0.458 15.381 -5.938 1.00 0.00 C ATOM 855 CD GLU A 58 -0.518 16.463 -5.537 1.00 0.00 C ATOM 856 OE1 GLU A 58 -0.905 17.272 -6.406 1.00 0.00 O ATOM 857 OE2 GLU A 58 -0.897 16.509 -4.351 1.00 0.00 O ATOM 0 H GLU A 58 0.193 12.644 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.019 14.324 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.548 13.548 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.590 14.715 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.904 14.947 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.269 15.822 -6.517 1.00 0.00 H new ATOM 864 N SER A 59 -2.960 13.393 -7.792 1.00 0.00 N ATOM 865 CA SER A 59 -3.751 12.728 -8.807 1.00 0.00 C ATOM 866 C SER A 59 -2.853 12.230 -9.935 1.00 0.00 C ATOM 867 O SER A 59 -2.031 12.984 -10.460 1.00 0.00 O ATOM 868 CB SER A 59 -4.802 13.697 -9.351 1.00 0.00 C ATOM 869 OG SER A 59 -5.539 14.281 -8.291 1.00 0.00 O ATOM 0 H SER A 59 -3.097 14.403 -7.750 1.00 0.00 H new ATOM 0 HA SER A 59 -4.253 11.868 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.316 14.478 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.478 13.169 -10.023 1.00 0.00 H new ATOM 0 HG SER A 59 -6.206 14.899 -8.658 1.00 0.00 H new ATOM 875 N GLU A 60 -3.001 10.950 -10.275 1.00 0.00 N ATOM 876 CA GLU A 60 -2.247 10.320 -11.359 1.00 0.00 C ATOM 877 C GLU A 60 -0.768 10.203 -11.000 1.00 0.00 C ATOM 878 O GLU A 60 0.087 10.038 -11.872 1.00 0.00 O ATOM 879 CB GLU A 60 -2.433 11.095 -12.665 1.00 0.00 C ATOM 880 CG GLU A 60 -3.888 11.211 -13.088 1.00 0.00 C ATOM 881 CD GLU A 60 -4.069 12.074 -14.314 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.129 13.315 -14.172 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.161 11.518 -15.424 1.00 0.00 O ATOM 0 H GLU A 60 -3.649 10.318 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.636 9.312 -11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.014 12.094 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.869 10.602 -13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.285 10.216 -13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.470 11.628 -12.266 1.00 0.00 H new ATOM 890 N ASN A 61 -0.479 10.274 -9.709 1.00 0.00 N ATOM 891 CA ASN A 61 0.881 10.117 -9.216 1.00 0.00 C ATOM 892 C ASN A 61 0.986 8.832 -8.405 1.00 0.00 C ATOM 893 O ASN A 61 0.023 8.422 -7.754 1.00 0.00 O ATOM 894 CB ASN A 61 1.283 11.320 -8.354 1.00 0.00 C ATOM 895 CG ASN A 61 2.721 11.243 -7.868 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.590 10.697 -8.545 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.983 11.792 -6.692 1.00 0.00 N ATOM 0 H ASN A 61 -1.173 10.440 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 61 1.560 10.062 -10.067 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.148 12.235 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.617 11.383 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.932 11.771 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.236 12.236 -6.159 1.00 0.00 H new ATOM 904 N SER A 62 2.143 8.196 -8.457 1.00 0.00 N ATOM 905 CA SER A 62 2.373 6.972 -7.713 1.00 0.00 C ATOM 906 C SER A 62 3.441 7.187 -6.643 1.00 0.00 C ATOM 907 O SER A 62 4.542 7.665 -6.928 1.00 0.00 O ATOM 908 CB SER A 62 2.769 5.841 -8.666 1.00 0.00 C ATOM 909 OG SER A 62 3.764 6.264 -9.587 1.00 0.00 O ATOM 0 H SER A 62 2.941 8.509 -9.010 1.00 0.00 H new ATOM 0 HA SER A 62 1.448 6.688 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.140 4.992 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.890 5.497 -9.211 1.00 0.00 H new ATOM 0 HG SER A 62 4.386 6.875 -9.139 1.00 0.00 H new ATOM 915 N THR A 63 3.098 6.858 -5.411 1.00 0.00 N ATOM 916 CA THR A 63 4.005 7.008 -4.287 1.00 0.00 C ATOM 917 C THR A 63 4.291 5.648 -3.655 1.00 0.00 C ATOM 918 O THR A 63 3.392 4.815 -3.524 1.00 0.00 O ATOM 919 CB THR A 63 3.412 7.978 -3.240 1.00 0.00 C ATOM 920 OG1 THR A 63 3.328 9.298 -3.797 1.00 0.00 O ATOM 921 CG2 THR A 63 4.240 8.011 -1.963 1.00 0.00 C ATOM 0 H THR A 63 2.184 6.480 -5.161 1.00 0.00 H new ATOM 0 HA THR A 63 4.944 7.427 -4.650 1.00 0.00 H new ATOM 0 HB THR A 63 2.416 7.618 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.950 9.910 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.788 8.705 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.272 7.014 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.254 8.338 -2.195 1.00 0.00 H new ATOM 929 N ASN A 64 5.543 5.418 -3.292 1.00 0.00 N ATOM 930 CA ASN A 64 5.951 4.138 -2.734 1.00 0.00 C ATOM 931 C ASN A 64 5.916 4.160 -1.212 1.00 0.00 C ATOM 932 O ASN A 64 6.394 5.102 -0.578 1.00 0.00 O ATOM 933 CB ASN A 64 7.348 3.754 -3.231 1.00 0.00 C ATOM 934 CG ASN A 64 7.330 3.210 -4.649 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.351 2.598 -5.077 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.407 3.420 -5.387 1.00 0.00 N ATOM 0 H ASN A 64 6.295 6.102 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 64 5.240 3.386 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.998 4.628 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.775 3.006 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.445 3.071 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.200 3.931 -4.999 1.00 0.00 H new ATOM 943 N VAL A 65 5.338 3.116 -0.638 1.00 0.00 N ATOM 944 CA VAL A 65 5.235 2.986 0.808 1.00 0.00 C ATOM 945 C VAL A 65 6.369 2.115 1.334 1.00 0.00 C ATOM 946 O VAL A 65 6.672 1.069 0.760 1.00 0.00 O ATOM 947 CB VAL A 65 3.887 2.356 1.215 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.700 2.404 2.720 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.739 3.054 0.506 1.00 0.00 C ATOM 0 H VAL A 65 4.929 2.339 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 65 5.301 3.985 1.239 1.00 0.00 H new ATOM 0 HB VAL A 65 3.893 1.309 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.742 1.954 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.505 1.852 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.718 3.441 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.795 2.597 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.732 4.110 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.864 2.956 -0.572 1.00 0.00 H new ATOM 959 N ASP A 66 6.989 2.554 2.418 1.00 0.00 N ATOM 960 CA ASP A 66 8.160 1.879 2.962 1.00 0.00 C ATOM 961 C ASP A 66 7.796 1.074 4.207 1.00 0.00 C ATOM 962 O ASP A 66 7.692 1.624 5.303 1.00 0.00 O ATOM 963 CB ASP A 66 9.239 2.916 3.291 1.00 0.00 C ATOM 964 CG ASP A 66 10.575 2.295 3.637 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.280 1.850 2.710 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.942 2.277 4.831 1.00 0.00 O ATOM 0 H ASP A 66 6.700 3.380 2.942 1.00 0.00 H new ATOM 0 HA ASP A 66 8.544 1.183 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.365 3.583 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.902 3.529 4.127 1.00 0.00 H new ATOM 971 N PHE A 67 7.571 -0.221 4.027 1.00 0.00 N ATOM 972 CA PHE A 67 7.271 -1.110 5.148 1.00 0.00 C ATOM 973 C PHE A 67 8.529 -1.831 5.604 1.00 0.00 C ATOM 974 O PHE A 67 9.452 -2.038 4.819 1.00 0.00 O ATOM 975 CB PHE A 67 6.246 -2.178 4.765 1.00 0.00 C ATOM 976 CG PHE A 67 4.917 -1.666 4.295 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.099 -0.928 5.133 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.472 -1.964 3.018 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.860 -0.496 4.703 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.240 -1.531 2.582 1.00 0.00 C ATOM 981 CZ PHE A 67 2.433 -0.799 3.426 1.00 0.00 C ATOM 0 H PHE A 67 7.590 -0.681 3.117 1.00 0.00 H new ATOM 0 HA PHE A 67 6.869 -0.483 5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.674 -2.800 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.081 -2.823 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.433 -0.688 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.099 -2.543 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.227 0.077 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.907 -1.764 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.464 -0.462 3.087 1.00 0.00 H new ATOM 991 N HIS A 68 8.564 -2.217 6.870 1.00 0.00 N ATOM 992 CA HIS A 68 9.626 -3.077 7.375 1.00 0.00 C ATOM 993 C HIS A 68 9.014 -4.264 8.108 1.00 0.00 C ATOM 994 O HIS A 68 8.335 -4.100 9.124 1.00 0.00 O ATOM 995 CB HIS A 68 10.587 -2.299 8.281 1.00 0.00 C ATOM 996 CG HIS A 68 11.354 -1.233 7.554 1.00 0.00 C ATOM 997 ND1 HIS A 68 12.664 -1.378 7.153 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.972 -0.007 7.128 1.00 0.00 C ATOM 999 CE1 HIS A 68 13.047 -0.290 6.510 1.00 0.00 C ATOM 1000 NE2 HIS A 68 12.038 0.558 6.478 1.00 0.00 N ATOM 0 H HIS A 68 7.870 -1.949 7.568 1.00 0.00 H new ATOM 0 HA HIS A 68 10.211 -3.447 6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 68 10.021 -1.841 9.092 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.290 -2.996 8.737 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.002 0.445 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.024 -0.123 6.082 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.049 1.480 6.042 1.00 0.00 H new ATOM 1009 N TRP A 69 9.246 -5.452 7.574 1.00 0.00 N ATOM 1010 CA TRP A 69 8.610 -6.664 8.068 1.00 0.00 C ATOM 1011 C TRP A 69 9.650 -7.754 8.320 1.00 0.00 C ATOM 1012 O TRP A 69 10.423 -8.112 7.430 1.00 0.00 O ATOM 1013 CB TRP A 69 7.537 -7.122 7.061 1.00 0.00 C ATOM 1014 CG TRP A 69 7.204 -8.583 7.123 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.900 -9.317 8.232 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.129 -9.484 6.013 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.680 -10.626 7.886 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.808 -10.754 6.526 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.316 -9.341 4.634 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.668 -11.871 5.704 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.170 -10.448 3.823 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.854 -11.700 4.360 1.00 0.00 C ATOM 0 H TRP A 69 9.878 -5.604 6.788 1.00 0.00 H new ATOM 0 HA TRP A 69 8.124 -6.459 9.022 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.627 -6.548 7.234 1.00 0.00 H new ATOM 0 HB3 TRP A 69 7.878 -6.883 6.054 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.841 -8.924 9.236 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.457 -11.381 8.534 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.570 -8.380 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.421 -12.839 6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.302 -10.346 2.756 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.755 -12.549 3.700 1.00 0.00 H new ATOM 1033 N THR A 70 9.668 -8.263 9.543 1.00 0.00 N ATOM 1034 CA THR A 70 10.622 -9.286 9.938 1.00 0.00 C ATOM 1035 C THR A 70 10.176 -10.666 9.460 1.00 0.00 C ATOM 1036 O THR A 70 9.154 -11.188 9.915 1.00 0.00 O ATOM 1037 CB THR A 70 10.773 -9.318 11.470 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.832 -7.977 11.977 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.028 -10.075 11.879 1.00 0.00 C ATOM 0 H THR A 70 9.026 -7.981 10.284 1.00 0.00 H new ATOM 0 HA THR A 70 11.578 -9.038 9.477 1.00 0.00 H new ATOM 0 HB THR A 70 9.909 -9.833 11.890 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.926 -8.000 12.952 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.110 -10.082 12.966 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.970 -11.100 11.512 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.903 -9.586 11.452 1.00 0.00 H new ATOM 1047 N LEU A 71 10.934 -11.254 8.543 1.00 0.00 N ATOM 1048 CA LEU A 71 10.629 -12.593 8.061 1.00 0.00 C ATOM 1049 C LEU A 71 10.884 -13.631 9.141 1.00 0.00 C ATOM 1050 O LEU A 71 12.002 -13.772 9.631 1.00 0.00 O ATOM 1051 CB LEU A 71 11.452 -12.937 6.823 1.00 0.00 C ATOM 1052 CG LEU A 71 10.668 -12.981 5.513 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.481 -13.922 5.631 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.221 -11.586 5.116 1.00 0.00 C ATOM 0 H LEU A 71 11.759 -10.827 8.121 1.00 0.00 H new ATOM 0 HA LEU A 71 9.572 -12.606 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.253 -12.205 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.924 -13.907 6.978 1.00 0.00 H new ATOM 0 HG LEU A 71 11.322 -13.363 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.935 -13.939 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.835 -14.926 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.820 -13.576 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.664 -11.635 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.583 -11.172 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.095 -10.948 4.985 1.00 0.00 H new ATOM 1066 N ASP A 72 9.838 -14.355 9.502 1.00 0.00 N ATOM 1067 CA ASP A 72 9.945 -15.403 10.506 1.00 0.00 C ATOM 1068 C ASP A 72 10.343 -16.726 9.860 1.00 0.00 C ATOM 1069 O ASP A 72 11.104 -17.507 10.432 1.00 0.00 O ATOM 1070 CB ASP A 72 8.619 -15.564 11.252 1.00 0.00 C ATOM 1071 CG ASP A 72 8.678 -16.647 12.308 1.00 0.00 C ATOM 1072 OD1 ASP A 72 9.272 -16.404 13.377 1.00 0.00 O ATOM 1073 OD2 ASP A 72 8.121 -17.741 12.079 1.00 0.00 O ATOM 0 H ASP A 72 8.902 -14.237 9.114 1.00 0.00 H new ATOM 0 HA ASP A 72 10.718 -15.116 11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.352 -14.617 11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.830 -15.799 10.538 1.00 0.00 H new ATOM 1078 N GLY A 73 9.832 -16.962 8.656 1.00 0.00 N ATOM 1079 CA GLY A 73 10.114 -18.205 7.964 1.00 0.00 C ATOM 1080 C GLY A 73 9.054 -19.251 8.236 1.00 0.00 C ATOM 1081 O GLY A 73 9.259 -20.439 7.981 1.00 0.00 O ATOM 0 H GLY A 73 9.228 -16.315 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.175 -18.019 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.087 -18.583 8.277 1.00 0.00 H new ATOM 1085 N THR A 74 7.917 -18.798 8.751 1.00 0.00 N ATOM 1086 CA THR A 74 6.806 -19.677 9.086 1.00 0.00 C ATOM 1087 C THR A 74 6.292 -20.391 7.841 1.00 0.00 C ATOM 1088 O THR A 74 5.945 -21.570 7.879 1.00 0.00 O ATOM 1089 CB THR A 74 5.651 -18.871 9.708 1.00 0.00 C ATOM 1090 OG1 THR A 74 6.165 -17.669 10.300 1.00 0.00 O ATOM 1091 CG2 THR A 74 4.923 -19.687 10.761 1.00 0.00 C ATOM 0 H THR A 74 7.741 -17.813 8.947 1.00 0.00 H new ATOM 0 HA THR A 74 7.168 -20.413 9.804 1.00 0.00 H new ATOM 0 HB THR A 74 4.943 -18.620 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.951 -17.883 10.845 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.112 -19.094 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.514 -20.588 10.304 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.620 -19.965 11.552 1.00 0.00 H new ATOM 1099 N ALA A 75 6.264 -19.663 6.739 1.00 0.00 N ATOM 1100 CA ALA A 75 5.797 -20.200 5.476 1.00 0.00 C ATOM 1101 C ALA A 75 6.706 -19.738 4.351 1.00 0.00 C ATOM 1102 O ALA A 75 7.412 -18.740 4.488 1.00 0.00 O ATOM 1103 CB ALA A 75 4.361 -19.771 5.215 1.00 0.00 C ATOM 0 H ALA A 75 6.563 -18.689 6.695 1.00 0.00 H new ATOM 0 HA ALA A 75 5.823 -21.289 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.026 -20.182 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.720 -20.140 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.307 -18.683 5.179 1.00 0.00 H new ATOM 1109 N ASN A 76 6.696 -20.469 3.250 1.00 0.00 N ATOM 1110 CA ASN A 76 7.509 -20.117 2.092 1.00 0.00 C ATOM 1111 C ASN A 76 6.803 -19.069 1.242 1.00 0.00 C ATOM 1112 O ASN A 76 7.402 -18.464 0.355 1.00 0.00 O ATOM 1113 CB ASN A 76 7.820 -21.366 1.258 1.00 0.00 C ATOM 1114 CG ASN A 76 8.850 -22.276 1.915 1.00 0.00 C ATOM 1115 OD1 ASN A 76 9.538 -23.041 1.244 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.972 -22.193 3.230 1.00 0.00 N ATOM 0 H ASN A 76 6.134 -21.312 3.130 1.00 0.00 H new ATOM 0 HA ASN A 76 8.450 -19.695 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.899 -21.926 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.185 -21.060 0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.654 -22.775 3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.385 -21.547 3.757 1.00 0.00 H new ATOM 1123 N SER A 77 5.527 -18.857 1.531 1.00 0.00 N ATOM 1124 CA SER A 77 4.732 -17.867 0.826 1.00 0.00 C ATOM 1125 C SER A 77 3.758 -17.184 1.784 1.00 0.00 C ATOM 1126 O SER A 77 2.939 -17.843 2.425 1.00 0.00 O ATOM 1127 CB SER A 77 3.982 -18.532 -0.329 1.00 0.00 C ATOM 1128 OG SER A 77 3.360 -19.738 0.091 1.00 0.00 O ATOM 0 H SER A 77 5.018 -19.363 2.256 1.00 0.00 H new ATOM 0 HA SER A 77 5.394 -17.103 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.229 -17.848 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.675 -18.741 -1.144 1.00 0.00 H new ATOM 0 HG SER A 77 2.903 -19.590 0.945 1.00 0.00 H new ATOM 1134 N TYR A 78 3.868 -15.867 1.887 1.00 0.00 N ATOM 1135 CA TYR A 78 3.001 -15.084 2.762 1.00 0.00 C ATOM 1136 C TYR A 78 1.969 -14.320 1.939 1.00 0.00 C ATOM 1137 O TYR A 78 2.236 -13.939 0.793 1.00 0.00 O ATOM 1138 CB TYR A 78 3.824 -14.090 3.588 1.00 0.00 C ATOM 1139 CG TYR A 78 4.634 -14.704 4.711 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.829 -15.367 4.464 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.211 -14.590 6.027 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.576 -15.900 5.499 1.00 0.00 C ATOM 1143 CE2 TYR A 78 4.947 -15.121 7.065 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.131 -15.774 6.798 1.00 0.00 C ATOM 1145 OH TYR A 78 6.876 -16.292 7.837 1.00 0.00 O ATOM 0 H TYR A 78 4.553 -15.314 1.373 1.00 0.00 H new ATOM 0 HA TYR A 78 2.491 -15.772 3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.502 -13.560 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.149 -13.347 4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.181 -15.468 3.448 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.287 -14.075 6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.504 -16.412 5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.597 -15.026 8.082 1.00 0.00 H new ATOM 0 HH TYR A 78 6.276 -16.601 8.548 1.00 0.00 H new ATOM 1155 N THR A 79 0.802 -14.085 2.520 1.00 0.00 N ATOM 1156 CA THR A 79 -0.259 -13.367 1.832 1.00 0.00 C ATOM 1157 C THR A 79 -0.240 -11.890 2.220 1.00 0.00 C ATOM 1158 O THR A 79 -0.895 -11.480 3.175 1.00 0.00 O ATOM 1159 CB THR A 79 -1.640 -13.967 2.165 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.588 -15.396 2.063 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.711 -13.431 1.225 1.00 0.00 C ATOM 0 H THR A 79 0.566 -14.382 3.467 1.00 0.00 H new ATOM 0 HA THR A 79 -0.085 -13.463 0.760 1.00 0.00 H new ATOM 0 HB THR A 79 -1.897 -13.679 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.759 -15.793 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.674 -13.871 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.770 -12.347 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.457 -13.691 0.198 1.00 0.00 H new ATOM 1169 N LEU A 80 0.531 -11.096 1.494 1.00 0.00 N ATOM 1170 CA LEU A 80 0.666 -9.685 1.814 1.00 0.00 C ATOM 1171 C LEU A 80 -0.413 -8.861 1.126 1.00 0.00 C ATOM 1172 O LEU A 80 -0.527 -8.844 -0.097 1.00 0.00 O ATOM 1173 CB LEU A 80 2.057 -9.170 1.448 1.00 0.00 C ATOM 1174 CG LEU A 80 3.067 -9.152 2.600 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.232 -10.537 3.208 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.405 -8.618 2.122 1.00 0.00 C ATOM 0 H LEU A 80 1.070 -11.403 0.684 1.00 0.00 H new ATOM 0 HA LEU A 80 0.538 -9.576 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.457 -9.789 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.961 -8.158 1.054 1.00 0.00 H new ATOM 0 HG LEU A 80 2.683 -8.489 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.955 -10.493 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.272 -10.882 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.587 -11.229 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.112 -8.611 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.787 -9.255 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.278 -7.603 1.746 1.00 0.00 H new ATOM 1188 N THR A 81 -1.203 -8.185 1.931 1.00 0.00 N ATOM 1189 CA THR A 81 -2.300 -7.382 1.436 1.00 0.00 C ATOM 1190 C THR A 81 -2.094 -5.920 1.805 1.00 0.00 C ATOM 1191 O THR A 81 -2.025 -5.570 2.982 1.00 0.00 O ATOM 1192 CB THR A 81 -3.643 -7.873 2.010 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.799 -9.274 1.756 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.811 -7.112 1.399 1.00 0.00 C ATOM 0 H THR A 81 -1.103 -8.176 2.946 1.00 0.00 H new ATOM 0 HA THR A 81 -2.325 -7.481 0.351 1.00 0.00 H new ATOM 0 HB THR A 81 -3.638 -7.693 3.085 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.654 -9.580 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.746 -7.479 1.822 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.707 -6.049 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.818 -7.262 0.319 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.969 -5.076 0.800 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.842 -3.647 1.023 1.00 0.00 C ATOM 1204 C VAL A 82 -3.220 -3.007 1.020 1.00 0.00 C ATOM 1205 O VAL A 82 -3.837 -2.854 -0.034 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.959 -2.972 -0.051 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.785 -1.490 0.248 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.393 -3.661 -0.148 1.00 0.00 C ATOM 0 H VAL A 82 -1.953 -5.354 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.361 -3.503 1.990 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.462 -3.070 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.160 -1.035 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.761 -1.004 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.309 -1.369 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.998 -3.170 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.902 -3.601 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.250 -4.707 -0.418 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.723 -2.674 2.198 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.020 -2.028 2.293 1.00 0.00 C ATOM 1220 C ASN A 83 -4.830 -0.539 2.520 1.00 0.00 C ATOM 1221 O ASN A 83 -4.336 -0.113 3.568 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.862 -2.634 3.419 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.305 -2.163 3.375 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.153 -2.782 2.732 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.598 -1.072 4.059 1.00 0.00 N ATOM 0 H ASN A 83 -3.259 -2.838 3.091 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.555 -2.188 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.834 -3.721 3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.424 -2.368 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.554 -0.716 4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.869 -0.586 4.580 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.209 0.245 1.528 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.025 1.681 1.574 1.00 0.00 C ATOM 1234 C VAL A 84 -6.095 2.337 2.437 1.00 0.00 C ATOM 1235 O VAL A 84 -7.254 2.461 2.039 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.013 2.293 0.157 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.838 3.799 0.213 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.908 1.664 -0.677 1.00 0.00 C ATOM 0 H VAL A 84 -5.650 -0.094 0.673 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.053 1.875 2.027 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.974 2.083 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.833 4.203 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.661 4.240 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.894 4.038 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.910 2.104 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.944 1.847 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.077 0.590 -0.754 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.669 2.711 3.637 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.504 3.368 4.639 1.00 0.00 C ATOM 1250 C ASP A 85 -7.711 2.520 5.022 1.00 0.00 C ATOM 1251 O ASP A 85 -8.786 2.631 4.434 1.00 0.00 O ATOM 1252 CB ASP A 85 -6.943 4.760 4.188 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.389 5.608 5.361 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -6.510 6.132 6.084 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.610 5.742 5.571 1.00 0.00 O ATOM 0 H ASP A 85 -4.709 2.563 3.950 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.885 3.484 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.119 5.254 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.759 4.671 3.471 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.537 1.641 6.025 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.618 0.806 6.556 1.00 0.00 C ATOM 1262 C PRO A 86 -9.604 1.624 7.380 1.00 0.00 C ATOM 1263 O PRO A 86 -10.626 1.120 7.843 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.896 -0.215 7.452 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.436 -0.030 7.186 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.271 1.386 6.718 1.00 0.00 C ATOM 0 HA PRO A 86 -9.203 0.343 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.127 -0.044 8.504 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.210 -1.232 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.850 -0.213 8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.086 -0.733 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.118 2.073 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.415 1.496 6.053 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.278 2.894 7.552 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.099 3.808 8.321 1.00 0.00 C ATOM 1276 C GLU A 87 -11.217 4.369 7.451 1.00 0.00 C ATOM 1277 O GLU A 87 -12.244 4.825 7.958 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.227 4.947 8.852 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.994 4.468 9.603 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.321 3.871 10.955 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -8.690 2.679 11.021 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -8.208 4.598 11.965 1.00 0.00 O ATOM 0 H GLU A 87 -8.437 3.318 7.162 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.546 3.273 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.913 5.573 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.825 5.574 9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.474 3.724 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.309 5.305 9.737 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.997 4.322 6.135 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.939 4.851 5.149 1.00 0.00 C ATOM 1291 C ASN A 88 -12.069 6.366 5.325 1.00 0.00 C ATOM 1292 O ASN A 88 -13.134 6.952 5.130 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.306 4.146 5.262 1.00 0.00 C ATOM 1294 CG ASN A 88 -14.212 4.395 4.062 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -15.036 5.308 4.065 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -14.069 3.578 3.029 1.00 0.00 N ATOM 0 H ASN A 88 -10.158 3.914 5.723 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.559 4.652 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.146 3.073 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.810 4.487 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.653 3.696 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.375 2.831 3.062 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.955 6.995 5.685 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.901 8.440 5.842 1.00 0.00 C ATOM 1305 C ALA A 89 -10.861 9.100 4.472 1.00 0.00 C ATOM 1306 O ALA A 89 -11.410 10.185 4.266 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.688 8.842 6.668 1.00 0.00 C ATOM 0 H ALA A 89 -10.072 6.520 5.874 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.793 8.775 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.664 9.926 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.750 8.381 7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.780 8.507 6.168 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.203 8.431 3.538 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.213 8.848 2.149 1.00 0.00 C ATOM 1315 C VAL A 90 -11.214 7.998 1.379 1.00 0.00 C ATOM 1316 O VAL A 90 -11.021 6.795 1.214 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.822 8.723 1.492 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.886 9.128 0.025 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.797 9.565 2.237 1.00 0.00 C ATOM 0 H VAL A 90 -9.653 7.592 3.721 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.497 9.900 2.119 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.510 7.680 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.896 9.034 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.585 8.479 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.222 10.162 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.824 9.462 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.102 10.611 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.730 9.226 3.271 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.290 8.622 0.934 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.347 7.907 0.233 1.00 0.00 C ATOM 1331 C ASN A 91 -12.991 7.736 -1.237 1.00 0.00 C ATOM 1332 O ASN A 91 -12.677 8.710 -1.922 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.672 8.659 0.371 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.845 7.881 -0.191 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.854 6.652 -0.181 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.848 8.592 -0.679 1.00 0.00 N ATOM 0 H ASN A 91 -12.457 9.622 1.044 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.453 6.919 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.855 8.875 1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.597 9.617 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.666 8.121 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.803 9.611 -0.669 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.025 6.498 -1.709 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.728 6.205 -3.104 1.00 0.00 C ATOM 1345 C GLU A 92 -13.951 6.397 -3.979 1.00 0.00 C ATOM 1346 O GLU A 92 -15.076 6.531 -3.487 1.00 0.00 O ATOM 1347 CB GLU A 92 -12.281 4.756 -3.299 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.015 4.350 -2.578 1.00 0.00 C ATOM 1349 CD GLU A 92 -10.456 3.063 -3.151 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.059 1.981 -2.932 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.432 3.136 -3.855 1.00 0.00 O ATOM 0 H GLU A 92 -13.256 5.679 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.931 6.893 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.088 4.101 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.140 4.580 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.273 5.144 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.222 4.220 -1.516 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.708 6.440 -5.280 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.745 6.175 -6.249 1.00 0.00 C ATOM 1360 C GLY A 93 -15.336 4.799 -6.022 1.00 0.00 C ATOM 1361 O GLY A 93 -16.188 4.607 -5.153 1.00 0.00 O ATOM 0 H GLY A 93 -12.797 6.657 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.526 6.931 -6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.336 6.241 -7.257 1.00 0.00 H new ATOM 1365 N ASN A 94 -14.903 3.845 -6.831 1.00 0.00 N ATOM 1366 CA ASN A 94 -15.254 2.445 -6.621 1.00 0.00 C ATOM 1367 C ASN A 94 -14.487 1.900 -5.414 1.00 0.00 C ATOM 1368 O ASN A 94 -13.379 1.382 -5.575 1.00 0.00 O ATOM 1369 CB ASN A 94 -14.902 1.593 -7.845 1.00 0.00 C ATOM 1370 CG ASN A 94 -15.336 2.202 -9.162 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -16.341 2.909 -9.244 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -14.566 1.933 -10.203 1.00 0.00 N ATOM 0 H ASN A 94 -14.307 4.013 -7.641 1.00 0.00 H new ATOM 0 HA ASN A 94 -16.329 2.392 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.824 1.434 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.366 0.613 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.796 2.316 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.742 1.342 -10.089 1.00 0.00 H new ATOM 1379 N GLU A 95 -15.062 2.045 -4.218 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.428 1.565 -2.985 1.00 0.00 C ATOM 1381 C GLU A 95 -14.162 0.068 -3.058 1.00 0.00 C ATOM 1382 O GLU A 95 -15.042 -0.740 -2.759 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.300 1.874 -1.768 1.00 0.00 C ATOM 1384 CG GLU A 95 -15.415 3.354 -1.459 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.391 3.633 -0.336 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -15.983 3.583 0.847 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.574 3.902 -0.634 1.00 0.00 O ATOM 0 H GLU A 95 -15.968 2.492 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.477 2.087 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.298 1.468 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.889 1.361 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.433 3.744 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.734 3.886 -2.355 1.00 0.00 H new ATOM 1394 N SER A 96 -12.934 -0.270 -3.436 1.00 0.00 N ATOM 1395 CA SER A 96 -12.517 -1.646 -3.729 1.00 0.00 C ATOM 1396 C SER A 96 -11.099 -1.655 -4.289 1.00 0.00 C ATOM 1397 O SER A 96 -10.378 -2.649 -4.172 1.00 0.00 O ATOM 1398 CB SER A 96 -13.447 -2.326 -4.751 1.00 0.00 C ATOM 1399 OG SER A 96 -14.651 -2.785 -4.158 1.00 0.00 O ATOM 0 H SER A 96 -12.184 0.412 -3.551 1.00 0.00 H new ATOM 0 HA SER A 96 -12.564 -2.199 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.683 -1.622 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.927 -3.167 -5.210 1.00 0.00 H new ATOM 0 HG SER A 96 -14.840 -2.260 -3.352 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.707 -0.547 -4.912 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.396 -0.438 -5.539 1.00 0.00 C ATOM 1407 C ASN A 97 -8.294 -0.272 -4.502 1.00 0.00 C ATOM 1408 O ASN A 97 -7.132 -0.562 -4.778 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.363 0.733 -6.526 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.049 0.412 -7.837 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.127 -0.747 -8.244 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -10.542 1.432 -8.516 1.00 0.00 N ATOM 0 H ASN A 97 -11.283 0.291 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.217 -1.366 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.844 1.599 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.327 1.009 -6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.007 1.273 -9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.458 2.379 -8.146 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.675 0.152 -3.302 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.719 0.442 -2.230 1.00 0.00 C ATOM 1421 C ASN A 98 -7.097 -0.826 -1.636 1.00 0.00 C ATOM 1422 O ASN A 98 -6.553 -0.798 -0.535 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.410 1.242 -1.116 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.350 0.406 -0.261 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.938 -0.577 -0.722 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.487 0.786 1.001 1.00 0.00 N ATOM 0 H ASN A 98 -9.649 0.305 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.912 1.027 -2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.650 1.689 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.972 2.062 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.095 0.260 1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.984 1.604 1.345 1.00 0.00 H new ATOM 1433 N THR A 99 -7.157 -1.932 -2.357 1.00 0.00 N ATOM 1434 CA THR A 99 -6.619 -3.180 -1.848 1.00 0.00 C ATOM 1435 C THR A 99 -5.704 -3.846 -2.872 1.00 0.00 C ATOM 1436 O THR A 99 -5.897 -3.708 -4.080 1.00 0.00 O ATOM 1437 CB THR A 99 -7.747 -4.152 -1.471 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.865 -3.418 -0.951 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.278 -5.154 -0.426 1.00 0.00 C ATOM 0 H THR A 99 -7.569 -1.991 -3.288 1.00 0.00 H new ATOM 0 HA THR A 99 -6.039 -2.940 -0.957 1.00 0.00 H new ATOM 0 HB THR A 99 -8.041 -4.695 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.583 -4.041 -0.713 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.096 -5.830 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.441 -5.728 -0.822 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.961 -4.622 0.471 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.714 -4.562 -2.369 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.773 -5.296 -3.200 1.00 0.00 C ATOM 1449 C LEU A 100 -3.366 -6.583 -2.499 1.00 0.00 C ATOM 1450 O LEU A 100 -2.584 -6.560 -1.549 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.525 -4.451 -3.488 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.379 -5.182 -4.198 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.727 -5.467 -5.651 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.094 -4.375 -4.103 1.00 0.00 C ATOM 0 H LEU A 100 -4.538 -4.652 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.259 -5.531 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.819 -3.596 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.150 -4.056 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.226 -6.138 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.896 -5.986 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.619 -6.092 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.916 -4.528 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.709 -4.908 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.239 -3.403 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.171 -4.235 -3.055 1.00 0.00 H new ATOM 1466 N THR A 101 -3.920 -7.694 -2.944 1.00 0.00 N ATOM 1467 CA THR A 101 -3.559 -8.987 -2.394 1.00 0.00 C ATOM 1468 C THR A 101 -2.430 -9.599 -3.214 1.00 0.00 C ATOM 1469 O THR A 101 -2.662 -10.164 -4.285 1.00 0.00 O ATOM 1470 CB THR A 101 -4.766 -9.945 -2.370 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.902 -9.279 -1.801 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.448 -11.195 -1.560 1.00 0.00 C ATOM 0 H THR A 101 -4.621 -7.728 -3.684 1.00 0.00 H new ATOM 0 HA THR A 101 -3.227 -8.837 -1.367 1.00 0.00 H new ATOM 0 HB THR A 101 -4.990 -10.243 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.668 -9.891 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.314 -11.857 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.598 -11.712 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.203 -10.913 -0.536 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.209 -9.452 -2.726 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.041 -9.934 -3.440 1.00 0.00 C ATOM 1482 C ALA A 102 0.664 -11.020 -2.645 1.00 0.00 C ATOM 1483 O ALA A 102 0.974 -10.846 -1.466 1.00 0.00 O ATOM 1484 CB ALA A 102 0.911 -8.784 -3.732 1.00 0.00 C ATOM 0 H ALA A 102 -1.002 -9.001 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.369 -10.363 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.782 -9.160 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.403 -8.038 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.230 -8.329 -2.794 1.00 0.00 H new ATOM 1490 N LEU A 103 0.903 -12.146 -3.287 1.00 0.00 N ATOM 1491 CA LEU A 103 1.596 -13.243 -2.646 1.00 0.00 C ATOM 1492 C LEU A 103 3.097 -13.073 -2.771 1.00 0.00 C ATOM 1493 O LEU A 103 3.639 -13.015 -3.873 1.00 0.00 O ATOM 1494 CB LEU A 103 1.171 -14.579 -3.247 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.237 -15.031 -2.875 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.565 -16.337 -3.566 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.366 -15.184 -1.367 1.00 0.00 C ATOM 0 H LEU A 103 0.627 -12.324 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 103 1.328 -13.236 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.240 -14.511 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.879 -15.345 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.945 -14.271 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.573 -16.650 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.507 -16.202 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.148 -17.101 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.377 -15.507 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.349 -15.927 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.163 -14.228 -0.886 1.00 0.00 H new ATOM 1509 N VAL A 104 3.759 -12.992 -1.639 1.00 0.00 N ATOM 1510 CA VAL A 104 5.203 -12.861 -1.624 1.00 0.00 C ATOM 1511 C VAL A 104 5.824 -14.175 -1.188 1.00 0.00 C ATOM 1512 O VAL A 104 5.382 -14.794 -0.216 1.00 0.00 O ATOM 1513 CB VAL A 104 5.687 -11.710 -0.711 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.189 -10.370 -1.232 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.233 -11.914 0.723 1.00 0.00 C ATOM 0 H VAL A 104 3.324 -13.014 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 104 5.522 -12.613 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 104 6.777 -11.713 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.539 -9.572 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.571 -10.207 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.099 -10.370 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.589 -11.088 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.144 -11.949 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.639 -12.851 1.103 1.00 0.00 H new ATOM 1525 N GLY A 105 6.827 -14.616 -1.917 1.00 0.00 N ATOM 1526 CA GLY A 105 7.427 -15.892 -1.627 1.00 0.00 C ATOM 1527 C GLY A 105 8.866 -15.739 -1.234 1.00 0.00 C ATOM 1528 O GLY A 105 9.500 -14.749 -1.583 1.00 0.00 O ATOM 0 H GLY A 105 7.237 -14.114 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.878 -16.380 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.353 -16.539 -2.501 1.00 0.00 H new ATOM 1532 N THR A 106 9.385 -16.692 -0.492 1.00 0.00 N ATOM 1533 CA THR A 106 10.786 -16.673 -0.131 1.00 0.00 C ATOM 1534 C THR A 106 11.650 -16.747 -1.389 1.00 0.00 C ATOM 1535 O THR A 106 11.259 -17.374 -2.378 1.00 0.00 O ATOM 1536 CB THR A 106 11.132 -17.826 0.825 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.685 -19.071 0.277 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.486 -17.608 2.185 1.00 0.00 C ATOM 0 H THR A 106 8.861 -17.487 -0.128 1.00 0.00 H new ATOM 0 HA THR A 106 10.991 -15.737 0.389 1.00 0.00 H new ATOM 0 HB THR A 106 12.215 -17.853 0.950 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.197 -19.275 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.743 -18.435 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.848 -16.674 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.403 -17.559 2.070 1.00 0.00 H new ATOM 1546 N LEU A 107 12.796 -16.079 -1.361 1.00 0.00 N ATOM 1547 CA LEU A 107 13.676 -16.012 -2.522 1.00 0.00 C ATOM 1548 C LEU A 107 13.992 -17.406 -3.056 1.00 0.00 C ATOM 1549 O LEU A 107 14.439 -18.283 -2.310 1.00 0.00 O ATOM 1550 CB LEU A 107 14.973 -15.279 -2.167 1.00 0.00 C ATOM 1551 CG LEU A 107 15.932 -15.047 -3.337 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.285 -14.168 -4.398 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.230 -14.424 -2.847 1.00 0.00 C ATOM 0 H LEU A 107 13.139 -15.574 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 107 13.157 -15.458 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.718 -14.313 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.495 -15.849 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 107 16.161 -16.013 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.984 -14.016 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.384 -14.654 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.023 -13.204 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.900 -14.266 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 107 17.017 -13.468 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.705 -15.091 -2.128 1.00 0.00 H new ATOM 1565 N GLU A 108 13.752 -17.594 -4.354 1.00 0.00 N ATOM 1566 CA GLU A 108 13.973 -18.877 -5.026 1.00 0.00 C ATOM 1567 C GLU A 108 15.399 -19.368 -4.819 1.00 0.00 C ATOM 1568 O GLU A 108 15.653 -20.571 -4.767 1.00 0.00 O ATOM 1569 CB GLU A 108 13.722 -18.740 -6.526 1.00 0.00 C ATOM 1570 CG GLU A 108 12.379 -18.139 -6.884 1.00 0.00 C ATOM 1571 CD GLU A 108 12.238 -17.941 -8.378 1.00 0.00 C ATOM 1572 OE1 GLU A 108 12.864 -17.009 -8.915 1.00 0.00 O ATOM 1573 OE2 GLU A 108 11.522 -18.733 -9.024 1.00 0.00 O ATOM 0 H GLU A 108 13.399 -16.862 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 108 13.278 -19.596 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.509 -18.123 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.800 -19.725 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.581 -18.790 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.261 -17.181 -6.377 1.00 0.00 H new ATOM 1580 N HIS A 109 16.319 -18.422 -4.694 1.00 0.00 N ATOM 1581 CA HIS A 109 17.735 -18.728 -4.555 1.00 0.00 C ATOM 1582 C HIS A 109 17.995 -19.557 -3.298 1.00 0.00 C ATOM 1583 O HIS A 109 18.975 -20.297 -3.228 1.00 0.00 O ATOM 1584 CB HIS A 109 18.545 -17.429 -4.521 1.00 0.00 C ATOM 1585 CG HIS A 109 20.022 -17.624 -4.682 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.620 -17.835 -5.903 1.00 0.00 N ATOM 1587 CD2 HIS A 109 21.021 -17.625 -3.769 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.922 -17.956 -5.735 1.00 0.00 C ATOM 1589 NE2 HIS A 109 22.194 -17.832 -4.451 1.00 0.00 N ATOM 0 H HIS A 109 16.106 -17.425 -4.686 1.00 0.00 H new ATOM 0 HA HIS A 109 18.049 -19.320 -5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.188 -16.770 -5.313 1.00 0.00 H new ATOM 0 HB3 HIS A 109 18.357 -16.921 -3.575 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.915 -17.488 -2.703 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.645 -18.128 -6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 109 23.123 -17.882 -4.033 1.00 0.00 H new ATOM 1598 N HIS A 110 17.107 -19.456 -2.313 1.00 0.00 N ATOM 1599 CA HIS A 110 17.266 -20.223 -1.085 1.00 0.00 C ATOM 1600 C HIS A 110 16.359 -21.455 -1.096 1.00 0.00 C ATOM 1601 O HIS A 110 16.077 -22.044 -0.055 1.00 0.00 O ATOM 1602 CB HIS A 110 16.990 -19.361 0.151 1.00 0.00 C ATOM 1603 CG HIS A 110 17.579 -19.946 1.402 1.00 0.00 C ATOM 1604 ND1 HIS A 110 16.871 -20.118 2.570 1.00 0.00 N ATOM 1605 CD2 HIS A 110 18.825 -20.418 1.649 1.00 0.00 C ATOM 1606 CE1 HIS A 110 17.657 -20.671 3.479 1.00 0.00 C ATOM 1607 NE2 HIS A 110 18.847 -20.864 2.945 1.00 0.00 N ATOM 0 H HIS A 110 16.281 -18.858 -2.341 1.00 0.00 H new ATOM 0 HA HIS A 110 18.302 -20.557 -1.034 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.399 -18.363 -0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.913 -19.248 0.278 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.650 -20.439 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.372 -20.922 4.490 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.651 -21.277 3.418 1.00 0.00 H new ATOM 1616 N HIS A 111 15.894 -21.829 -2.280 1.00 0.00 N ATOM 1617 CA HIS A 111 15.236 -23.117 -2.467 1.00 0.00 C ATOM 1618 C HIS A 111 16.198 -24.061 -3.162 1.00 0.00 C ATOM 1619 O HIS A 111 16.244 -25.256 -2.874 1.00 0.00 O ATOM 1620 CB HIS A 111 13.956 -22.993 -3.295 1.00 0.00 C ATOM 1621 CG HIS A 111 12.825 -22.316 -2.587 1.00 0.00 C ATOM 1622 ND1 HIS A 111 12.185 -22.860 -1.496 1.00 0.00 N ATOM 1623 CD2 HIS A 111 12.208 -21.138 -2.833 1.00 0.00 C ATOM 1624 CE1 HIS A 111 11.224 -22.048 -1.104 1.00 0.00 C ATOM 1625 NE2 HIS A 111 11.215 -20.997 -1.898 1.00 0.00 N ATOM 0 H HIS A 111 15.959 -21.261 -3.125 1.00 0.00 H new ATOM 0 HA HIS A 111 14.956 -23.502 -1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 111 14.180 -22.440 -4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.635 -23.990 -3.597 1.00 0.00 H new ATOM 0 HD1 HIS A 111 12.418 -23.752 -1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.452 -20.439 -3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 111 10.556 -22.216 -0.272 1.00 0.00 H new ATOM 1634 N HIS A 112 16.970 -23.503 -4.088 1.00 0.00 N ATOM 1635 CA HIS A 112 18.000 -24.255 -4.785 1.00 0.00 C ATOM 1636 C HIS A 112 19.212 -24.403 -3.873 1.00 0.00 C ATOM 1637 O HIS A 112 19.998 -25.342 -4.000 1.00 0.00 O ATOM 1638 CB HIS A 112 18.380 -23.535 -6.081 1.00 0.00 C ATOM 1639 CG HIS A 112 19.030 -24.410 -7.107 1.00 0.00 C ATOM 1640 ND1 HIS A 112 18.311 -25.145 -8.022 1.00 0.00 N ATOM 1641 CD2 HIS A 112 20.334 -24.649 -7.380 1.00 0.00 C ATOM 1642 CE1 HIS A 112 19.140 -25.797 -8.810 1.00 0.00 C ATOM 1643 NE2 HIS A 112 20.376 -25.515 -8.445 1.00 0.00 N ATOM 0 H HIS A 112 16.899 -22.526 -4.373 1.00 0.00 H new ATOM 0 HA HIS A 112 17.627 -25.246 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 112 17.482 -23.094 -6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 112 19.055 -22.714 -5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 112 21.184 -24.235 -6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 112 18.856 -26.453 -9.620 1.00 0.00 H new ATOM 0 HE2 HIS A 112 21.223 -25.880 -8.882 1.00 0.00 H new ATOM 1652 N HIS A 113 19.352 -23.453 -2.957 1.00 0.00 N ATOM 1653 CA HIS A 113 20.363 -23.518 -1.911 1.00 0.00 C ATOM 1654 C HIS A 113 19.686 -23.747 -0.568 1.00 0.00 C ATOM 1655 O HIS A 113 18.469 -23.650 -0.460 1.00 0.00 O ATOM 1656 CB HIS A 113 21.175 -22.221 -1.843 1.00 0.00 C ATOM 1657 CG HIS A 113 22.205 -22.068 -2.920 1.00 0.00 C ATOM 1658 ND1 HIS A 113 23.223 -21.148 -2.842 1.00 0.00 N ATOM 1659 CD2 HIS A 113 22.377 -22.715 -4.096 1.00 0.00 C ATOM 1660 CE1 HIS A 113 23.973 -21.229 -3.921 1.00 0.00 C ATOM 1661 NE2 HIS A 113 23.485 -22.174 -4.700 1.00 0.00 N ATOM 0 H HIS A 113 18.769 -22.617 -2.919 1.00 0.00 H new ATOM 0 HA HIS A 113 21.039 -24.341 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 113 20.488 -21.376 -1.894 1.00 0.00 H new ATOM 0 HB3 HIS A 113 21.672 -22.170 -0.874 1.00 0.00 H new ATOM 0 HD2 HIS A 113 21.758 -23.509 -4.487 1.00 0.00 H new ATOM 0 HE1 HIS A 113 24.842 -20.623 -4.132 1.00 0.00 H new ATOM 0 HE2 HIS A 113 23.867 -22.457 -5.602 1.00 0.00 H new ATOM 1670 N HIS A 114 20.473 -24.041 0.451 1.00 0.00 N ATOM 1671 CA HIS A 114 19.949 -24.222 1.796 1.00 0.00 C ATOM 1672 C HIS A 114 20.956 -23.719 2.813 1.00 0.00 C ATOM 1673 O HIS A 114 22.023 -24.351 2.950 1.00 0.00 O ATOM 1674 CB HIS A 114 19.605 -25.690 2.074 1.00 0.00 C ATOM 1675 CG HIS A 114 18.218 -26.080 1.659 1.00 0.00 C ATOM 1676 ND1 HIS A 114 17.125 -25.960 2.491 1.00 0.00 N ATOM 1677 CD2 HIS A 114 17.746 -26.592 0.498 1.00 0.00 C ATOM 1678 CE1 HIS A 114 16.045 -26.382 1.861 1.00 0.00 C ATOM 1679 NE2 HIS A 114 16.394 -26.769 0.650 1.00 0.00 N ATOM 1680 OXT HIS A 114 20.682 -22.688 3.459 1.00 0.00 O ATOM 0 H HIS A 114 21.483 -24.160 0.374 1.00 0.00 H new ATOM 0 HA HIS A 114 19.028 -23.645 1.880 1.00 0.00 H new ATOM 0 HB2 HIS A 114 20.321 -26.325 1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 114 19.723 -25.885 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 114 18.326 -26.819 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 114 15.045 -26.406 2.268 1.00 0.00 H new ATOM 0 HE2 HIS A 114 15.761 -27.140 -0.059 1.00 0.00 H new TER 1689 HIS A 114