USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 13 THR OG1 : rot 137:sc= -0.821 USER MOD Set 1.2: A 70 MET CE :methyl 174:sc= -0.206 (180deg=-0.42) USER MOD Set 2.1: A 56 THR OG1 : rot 93:sc= -0.136 USER MOD Set 2.2: A 58 ASN : amide:sc= -0.235 K(o=-0.37,f=-9!) USER MOD Set 3.1: A 2 THR OG1 : rot 139:sc= -0.187 USER MOD Set 3.2: A 4 ASN :FLIP amide:sc= 0.258 F(o=-0.94,f=0.071) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.0382 (180deg=-0.115) USER MOD Single : A 3 MET CE :methyl -163:sc= -1.71 (180deg=-2.18!) USER MOD Single : A 6 THR OG1 : rot 64:sc= 0.191 USER MOD Single : A 7 SER OG : rot -122:sc= -1.41! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.74 F(o=-2.3,f=-1.7) USER MOD Single : A 10 MET CE :methyl -102:sc= -2.6 (180deg=-3.66!) USER MOD Single : A 18 GLN : amide:sc= -2.77! C(o=-2.8!,f=-2.4!) USER MOD Single : A 19 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.415 (180deg=-1.66!) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0287) USER MOD Single : A 31 GLN : amide:sc= -0.0865 X(o=-0.087,f=-0.0092) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.061 F(o=-0.65,f=-0.061) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 38 HIS : no HD1:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 42 SER OG : rot -172:sc= -1.29! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.011) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0282) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.913 F(o=-1.9,f=-0.91) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 72 THR OG1 : rot -170:sc= -1.35! USER MOD Single : A 75 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.3) USER MOD Single : A 79 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 141:sc= -0.377 (180deg=-1.52!) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.384 F(o=-2.3,f=-0.38) USER MOD Single : A 86 ASN : amide:sc= -0.833 X(o=-0.83,f=-0.51) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.468 -1.075 -6.612 1.00 0.00 N ATOM 2 CA MET A 1 186.472 -1.088 -8.099 1.00 0.00 C ATOM 3 C MET A 1 185.255 -1.824 -8.648 1.00 0.00 C ATOM 4 O MET A 1 184.537 -1.304 -9.502 1.00 0.00 O ATOM 5 CB MET A 1 187.756 -1.765 -8.579 1.00 0.00 C ATOM 6 CG MET A 1 187.884 -1.821 -10.091 1.00 0.00 C ATOM 7 SD MET A 1 189.456 -2.522 -10.630 1.00 0.00 S ATOM 8 CE MET A 1 189.289 -2.393 -12.409 1.00 0.00 C ATOM 0 H1 MET A 1 187.316 -0.582 -6.267 1.00 0.00 H new ATOM 0 H2 MET A 1 185.618 -0.581 -6.271 1.00 0.00 H new ATOM 0 H3 MET A 1 186.467 -2.052 -6.256 1.00 0.00 H new ATOM 0 HA MET A 1 186.428 -0.062 -8.464 1.00 0.00 H new ATOM 0 HB2 MET A 1 188.614 -1.231 -8.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.793 -2.779 -8.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 187.067 -2.416 -10.499 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.781 -0.815 -10.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 190.185 -2.787 -12.888 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.421 -2.966 -12.735 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.159 -1.347 -12.687 1.00 0.00 H new ATOM 20 N THR A 2 185.027 -3.036 -8.151 1.00 0.00 N ATOM 21 CA THR A 2 183.894 -3.842 -8.596 1.00 0.00 C ATOM 22 C THR A 2 182.614 -3.411 -7.881 1.00 0.00 C ATOM 23 O THR A 2 182.529 -2.296 -7.365 1.00 0.00 O ATOM 24 CB THR A 2 184.167 -5.335 -8.354 1.00 0.00 C ATOM 25 OG1 THR A 2 183.694 -5.741 -7.081 1.00 0.00 O ATOM 26 CG2 THR A 2 185.634 -5.704 -8.437 1.00 0.00 C ATOM 0 H THR A 2 185.610 -3.481 -7.442 1.00 0.00 H new ATOM 0 HA THR A 2 183.760 -3.684 -9.666 1.00 0.00 H new ATOM 0 HB THR A 2 183.634 -5.850 -9.154 1.00 0.00 H new ATOM 0 HG1 THR A 2 183.269 -6.621 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 2 185.751 -6.772 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 2 186.015 -5.460 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 2 186.193 -5.145 -7.686 1.00 0.00 H new ATOM 34 N MET A 3 181.619 -4.293 -7.852 1.00 0.00 N ATOM 35 CA MET A 3 180.352 -3.992 -7.197 1.00 0.00 C ATOM 36 C MET A 3 179.669 -5.269 -6.722 1.00 0.00 C ATOM 37 O MET A 3 178.917 -5.898 -7.467 1.00 0.00 O ATOM 38 CB MET A 3 179.429 -3.231 -8.150 1.00 0.00 C ATOM 39 CG MET A 3 178.162 -2.718 -7.487 1.00 0.00 C ATOM 40 SD MET A 3 178.320 -1.017 -6.908 1.00 0.00 S ATOM 41 CE MET A 3 176.817 -0.846 -5.949 1.00 0.00 C ATOM 0 H MET A 3 181.666 -5.220 -8.274 1.00 0.00 H new ATOM 0 HA MET A 3 180.560 -3.368 -6.328 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.974 -2.388 -8.575 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.157 -3.885 -8.979 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.335 -2.781 -8.194 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.911 -3.363 -6.645 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.612 0.211 -5.779 1.00 0.00 H new ATOM 0 HE2 MET A 3 175.985 -1.294 -6.493 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.937 -1.351 -4.991 1.00 0.00 H new ATOM 51 N ASN A 4 179.937 -5.651 -5.477 1.00 0.00 N ATOM 52 CA ASN A 4 179.347 -6.856 -4.906 1.00 0.00 C ATOM 53 C ASN A 4 178.206 -6.511 -3.952 1.00 0.00 C ATOM 54 O ASN A 4 178.402 -5.806 -2.963 1.00 0.00 O ATOM 55 CB ASN A 4 180.410 -7.671 -4.167 1.00 0.00 C ATOM 56 CG ASN A 4 181.352 -8.387 -5.115 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.396 -7.691 -5.550 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 181.144 -9.553 -5.451 1.00 0.00 N flip ATOM 0 H ASN A 4 180.558 -5.144 -4.846 1.00 0.00 H new ATOM 0 HA ASN A 4 178.944 -7.451 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 4 180.985 -7.010 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 4 179.921 -8.403 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 4 180.329 -10.050 -5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.787 -10.023 -6.088 1.00 0.00 H new ATOM 65 N ILE A 5 177.016 -7.022 -4.255 1.00 0.00 N ATOM 66 CA ILE A 5 175.843 -6.777 -3.423 1.00 0.00 C ATOM 67 C ILE A 5 175.139 -8.085 -3.078 1.00 0.00 C ATOM 68 O ILE A 5 174.648 -8.788 -3.961 1.00 0.00 O ATOM 69 CB ILE A 5 174.841 -5.834 -4.120 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.545 -4.541 -4.554 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.665 -5.537 -3.194 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.615 -3.355 -4.721 1.00 0.00 C ATOM 0 H ILE A 5 176.839 -7.608 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 5 176.196 -6.301 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 5 174.452 -6.324 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.307 -4.290 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.061 -4.720 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.965 -4.870 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.159 -6.468 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.030 -5.060 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.190 -2.482 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 5 173.867 -3.583 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.118 -3.146 -3.774 1.00 0.00 H new ATOM 84 N THR A 6 175.096 -8.407 -1.790 1.00 0.00 N ATOM 85 CA THR A 6 174.453 -9.634 -1.332 1.00 0.00 C ATOM 86 C THR A 6 173.458 -9.343 -0.213 1.00 0.00 C ATOM 87 O THR A 6 173.821 -9.327 0.963 1.00 0.00 O ATOM 88 CB THR A 6 175.503 -10.634 -0.848 1.00 0.00 C ATOM 89 OG1 THR A 6 176.214 -10.115 0.262 1.00 0.00 O ATOM 90 CG2 THR A 6 176.516 -10.999 -1.912 1.00 0.00 C ATOM 0 H THR A 6 175.498 -7.837 -1.046 1.00 0.00 H new ATOM 0 HA THR A 6 173.910 -10.065 -2.173 1.00 0.00 H new ATOM 0 HB THR A 6 174.946 -11.531 -0.577 1.00 0.00 H new ATOM 0 HG1 THR A 6 175.598 -9.987 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.232 -11.712 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 6 176.004 -11.447 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 6 177.042 -10.101 -2.236 1.00 0.00 H new ATOM 98 N SER A 7 172.204 -9.114 -0.586 1.00 0.00 N ATOM 99 CA SER A 7 171.156 -8.825 0.387 1.00 0.00 C ATOM 100 C SER A 7 170.424 -10.095 0.795 1.00 0.00 C ATOM 101 O SER A 7 170.449 -11.097 0.080 1.00 0.00 O ATOM 102 CB SER A 7 170.148 -7.833 -0.188 1.00 0.00 C ATOM 103 OG SER A 7 170.672 -6.517 -0.191 1.00 0.00 O ATOM 0 H SER A 7 171.888 -9.123 -1.556 1.00 0.00 H new ATOM 0 HA SER A 7 171.635 -8.391 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.885 -8.125 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.230 -7.861 0.399 1.00 0.00 H new ATOM 0 HG SER A 7 170.082 -5.929 0.325 1.00 0.00 H new ATOM 109 N LYS A 8 169.759 -10.038 1.941 1.00 0.00 N ATOM 110 CA LYS A 8 169.004 -11.177 2.437 1.00 0.00 C ATOM 111 C LYS A 8 167.696 -11.323 1.646 1.00 0.00 C ATOM 112 O LYS A 8 167.671 -11.078 0.440 1.00 0.00 O ATOM 113 CB LYS A 8 168.744 -11.011 3.940 1.00 0.00 C ATOM 114 CG LYS A 8 169.167 -12.218 4.764 1.00 0.00 C ATOM 115 CD LYS A 8 167.994 -13.138 5.055 1.00 0.00 C ATOM 116 CE LYS A 8 168.190 -13.888 6.363 1.00 0.00 C ATOM 117 NZ LYS A 8 167.538 -15.225 6.342 1.00 0.00 N ATOM 0 H LYS A 8 169.728 -9.215 2.543 1.00 0.00 H new ATOM 0 HA LYS A 8 169.580 -12.091 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.278 -10.131 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 8 167.682 -10.826 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.939 -12.771 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.607 -11.882 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 8 167.075 -12.554 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 8 167.877 -13.851 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 8 169.256 -14.008 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 8 167.782 -13.298 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 167.696 -15.703 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 166.517 -15.111 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 167.945 -15.798 5.575 1.00 0.00 H new ATOM 131 N GLN A 9 166.618 -11.723 2.315 1.00 0.00 N ATOM 132 CA GLN A 9 165.326 -11.896 1.657 1.00 0.00 C ATOM 133 C GLN A 9 164.911 -10.636 0.902 1.00 0.00 C ATOM 134 O GLN A 9 164.175 -10.706 -0.083 1.00 0.00 O ATOM 135 CB GLN A 9 164.253 -12.262 2.687 1.00 0.00 C ATOM 136 CG GLN A 9 163.969 -11.158 3.693 1.00 0.00 C ATOM 137 CD GLN A 9 164.806 -11.288 4.951 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.679 -10.314 5.183 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 164.668 -12.250 5.706 1.00 0.00 N flip ATOM 0 H GLN A 9 166.613 -11.934 3.313 1.00 0.00 H new ATOM 0 HA GLN A 9 165.427 -12.706 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 9 163.330 -12.511 2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.567 -13.158 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.163 -10.190 3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 9 162.912 -11.177 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 9 163.985 -12.975 5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.237 -12.322 6.550 1.00 0.00 H new ATOM 148 N MET A 10 165.382 -9.486 1.371 1.00 0.00 N ATOM 149 CA MET A 10 165.054 -8.212 0.740 1.00 0.00 C ATOM 150 C MET A 10 165.976 -7.931 -0.441 1.00 0.00 C ATOM 151 O MET A 10 167.158 -7.640 -0.263 1.00 0.00 O ATOM 152 CB MET A 10 165.154 -7.075 1.760 1.00 0.00 C ATOM 153 CG MET A 10 164.901 -5.698 1.166 1.00 0.00 C ATOM 154 SD MET A 10 163.171 -5.435 0.734 1.00 0.00 S ATOM 155 CE MET A 10 162.519 -4.846 2.294 1.00 0.00 C ATOM 0 H MET A 10 165.992 -9.409 2.185 1.00 0.00 H new ATOM 0 HA MET A 10 164.031 -8.274 0.369 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.437 -7.253 2.561 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.146 -7.090 2.211 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.213 -4.936 1.880 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.517 -5.572 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.982 -5.653 2.792 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.340 -4.511 2.928 1.00 0.00 H new ATOM 0 HE3 MET A 10 161.838 -4.015 2.113 1.00 0.00 H new ATOM 165 N GLU A 11 165.426 -8.013 -1.648 1.00 0.00 N ATOM 166 CA GLU A 11 166.201 -7.758 -2.857 1.00 0.00 C ATOM 167 C GLU A 11 166.600 -6.289 -2.939 1.00 0.00 C ATOM 168 O GLU A 11 166.288 -5.501 -2.046 1.00 0.00 O ATOM 169 CB GLU A 11 165.397 -8.153 -4.097 1.00 0.00 C ATOM 170 CG GLU A 11 165.563 -9.612 -4.490 1.00 0.00 C ATOM 171 CD GLU A 11 165.806 -9.793 -5.976 1.00 0.00 C ATOM 172 OE1 GLU A 11 166.399 -8.885 -6.594 1.00 0.00 O ATOM 173 OE2 GLU A 11 165.402 -10.842 -6.520 1.00 0.00 O ATOM 0 H GLU A 11 164.449 -8.253 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 11 167.107 -8.363 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.341 -7.952 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.701 -7.523 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 11 166.397 -10.041 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.669 -10.166 -4.202 1.00 0.00 H new ATOM 180 N ILE A 12 167.290 -5.925 -4.013 1.00 0.00 N ATOM 181 CA ILE A 12 167.729 -4.549 -4.208 1.00 0.00 C ATOM 182 C ILE A 12 166.779 -3.798 -5.133 1.00 0.00 C ATOM 183 O ILE A 12 166.749 -4.041 -6.339 1.00 0.00 O ATOM 184 CB ILE A 12 169.157 -4.480 -4.788 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.042 -5.580 -4.190 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.767 -3.110 -4.533 1.00 0.00 C ATOM 187 CD1 ILE A 12 169.926 -5.706 -2.687 1.00 0.00 C ATOM 0 H ILE A 12 167.558 -6.563 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 12 167.728 -4.078 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 12 169.096 -4.640 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.779 -6.534 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.081 -5.379 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.774 -3.077 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.154 -2.344 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.811 -2.925 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.581 -6.504 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.218 -4.766 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 12 168.895 -5.939 -2.420 1.00 0.00 H new ATOM 199 N THR A 13 166.003 -2.885 -4.558 1.00 0.00 N ATOM 200 CA THR A 13 165.050 -2.098 -5.331 1.00 0.00 C ATOM 201 C THR A 13 165.769 -1.004 -6.117 1.00 0.00 C ATOM 202 O THR A 13 166.856 -0.569 -5.735 1.00 0.00 O ATOM 203 CB THR A 13 164.001 -1.475 -4.408 1.00 0.00 C ATOM 204 OG1 THR A 13 164.524 -0.333 -3.752 1.00 0.00 O ATOM 205 CG2 THR A 13 163.498 -2.425 -3.343 1.00 0.00 C ATOM 0 H THR A 13 166.016 -2.672 -3.561 1.00 0.00 H new ATOM 0 HA THR A 13 164.550 -2.763 -6.036 1.00 0.00 H new ATOM 0 HB THR A 13 163.167 -1.211 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.855 0.383 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.757 -1.919 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.042 -3.294 -3.817 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.332 -2.747 -2.720 1.00 0.00 H new ATOM 213 N PRO A 14 165.171 -0.536 -7.224 1.00 0.00 N ATOM 214 CA PRO A 14 165.762 0.515 -8.054 1.00 0.00 C ATOM 215 C PRO A 14 166.123 1.750 -7.236 1.00 0.00 C ATOM 216 O PRO A 14 167.072 2.465 -7.557 1.00 0.00 O ATOM 217 CB PRO A 14 164.666 0.845 -9.079 1.00 0.00 C ATOM 218 CG PRO A 14 163.424 0.201 -8.557 1.00 0.00 C ATOM 219 CD PRO A 14 163.877 -0.984 -7.755 1.00 0.00 C ATOM 0 HA PRO A 14 166.694 0.190 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.536 1.922 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.923 0.460 -10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.855 0.895 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.772 -0.107 -9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.174 -1.227 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.979 -1.876 -8.373 1.00 0.00 H new ATOM 227 N ALA A 15 165.361 1.990 -6.174 1.00 0.00 N ATOM 228 CA ALA A 15 165.604 3.134 -5.305 1.00 0.00 C ATOM 229 C ALA A 15 166.858 2.922 -4.465 1.00 0.00 C ATOM 230 O ALA A 15 167.615 3.858 -4.215 1.00 0.00 O ATOM 231 CB ALA A 15 164.398 3.382 -4.409 1.00 0.00 C ATOM 0 H ALA A 15 164.571 1.408 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 15 165.761 4.012 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.593 4.239 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.522 3.583 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.214 2.501 -3.794 1.00 0.00 H new ATOM 237 N ILE A 16 167.074 1.681 -4.038 1.00 0.00 N ATOM 238 CA ILE A 16 168.241 1.346 -3.232 1.00 0.00 C ATOM 239 C ILE A 16 169.505 1.355 -4.084 1.00 0.00 C ATOM 240 O ILE A 16 170.494 2.002 -3.739 1.00 0.00 O ATOM 241 CB ILE A 16 168.086 -0.037 -2.559 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.878 -0.038 -1.623 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.351 -0.408 -1.796 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.571 -1.397 -1.032 1.00 0.00 C ATOM 0 H ILE A 16 166.457 0.893 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 16 168.324 2.104 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 16 167.925 -0.783 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.056 0.669 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 16 166.005 0.317 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.221 -1.385 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.194 -0.444 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.544 0.339 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.702 -1.322 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.361 -2.104 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.429 -1.746 -0.457 1.00 0.00 H new ATOM 256 N ARG A 17 169.464 0.637 -5.203 1.00 0.00 N ATOM 257 CA ARG A 17 170.605 0.568 -6.106 1.00 0.00 C ATOM 258 C ARG A 17 171.005 1.963 -6.582 1.00 0.00 C ATOM 259 O ARG A 17 172.180 2.234 -6.826 1.00 0.00 O ATOM 260 CB ARG A 17 170.283 -0.334 -7.304 1.00 0.00 C ATOM 261 CG ARG A 17 169.370 0.309 -8.341 1.00 0.00 C ATOM 262 CD ARG A 17 170.124 0.653 -9.617 1.00 0.00 C ATOM 263 NE ARG A 17 170.019 2.071 -9.951 1.00 0.00 N ATOM 264 CZ ARG A 17 170.797 2.683 -10.840 1.00 0.00 C ATOM 265 NH1 ARG A 17 171.740 2.005 -11.485 1.00 0.00 N ATOM 266 NH2 ARG A 17 170.632 3.976 -11.088 1.00 0.00 N ATOM 0 H ARG A 17 168.653 0.096 -5.504 1.00 0.00 H new ATOM 0 HA ARG A 17 171.447 0.139 -5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.216 -0.624 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.814 -1.249 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.550 -0.370 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 17 168.927 1.214 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 17 171.174 0.385 -9.501 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.732 0.057 -10.441 1.00 0.00 H new ATOM 0 HE ARG A 17 169.307 2.625 -9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.870 1.010 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 17 172.334 2.479 -12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 17 169.908 4.501 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 17 171.229 4.445 -11.770 1.00 0.00 H new ATOM 280 N GLN A 18 170.018 2.844 -6.704 1.00 0.00 N ATOM 281 CA GLN A 18 170.259 4.213 -7.145 1.00 0.00 C ATOM 282 C GLN A 18 170.878 5.040 -6.024 1.00 0.00 C ATOM 283 O GLN A 18 171.739 5.885 -6.265 1.00 0.00 O ATOM 284 CB GLN A 18 168.950 4.856 -7.611 1.00 0.00 C ATOM 285 CG GLN A 18 169.149 6.127 -8.424 1.00 0.00 C ATOM 286 CD GLN A 18 169.730 7.263 -7.603 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.709 7.894 -8.003 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.127 7.530 -6.451 1.00 0.00 N ATOM 0 H GLN A 18 169.040 2.633 -6.503 1.00 0.00 H new ATOM 0 HA GLN A 18 170.959 4.186 -7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.394 4.135 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.337 5.085 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.811 5.916 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 18 168.192 6.439 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.318 6.981 -6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.472 8.284 -5.857 1.00 0.00 H new ATOM 297 N HIS A 19 170.429 4.794 -4.798 1.00 0.00 N ATOM 298 CA HIS A 19 170.939 5.519 -3.642 1.00 0.00 C ATOM 299 C HIS A 19 172.378 5.115 -3.333 1.00 0.00 C ATOM 300 O HIS A 19 173.289 5.941 -3.388 1.00 0.00 O ATOM 301 CB HIS A 19 170.049 5.269 -2.420 1.00 0.00 C ATOM 302 CG HIS A 19 169.489 6.523 -1.824 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.741 7.431 -2.544 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.569 7.020 -0.566 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.387 8.431 -1.756 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.876 8.204 -0.551 1.00 0.00 N ATOM 0 H HIS A 19 169.714 4.099 -4.580 1.00 0.00 H new ATOM 0 HA HIS A 19 170.925 6.583 -3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.227 4.614 -2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.627 4.742 -1.661 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.083 6.568 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.798 9.288 -2.048 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.758 8.811 0.260 1.00 0.00 H new ATOM 315 N VAL A 20 172.576 3.840 -3.009 1.00 0.00 N ATOM 316 CA VAL A 20 173.905 3.330 -2.690 1.00 0.00 C ATOM 317 C VAL A 20 174.894 3.620 -3.816 1.00 0.00 C ATOM 318 O VAL A 20 176.047 3.973 -3.567 1.00 0.00 O ATOM 319 CB VAL A 20 173.878 1.812 -2.403 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.671 1.010 -3.681 1.00 0.00 C ATOM 321 CG2 VAL A 20 175.156 1.380 -1.698 1.00 0.00 C ATOM 0 H VAL A 20 171.834 3.142 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 20 174.233 3.848 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 20 173.033 1.610 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.657 -0.054 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 20 172.723 1.293 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.485 1.216 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 175.120 0.308 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 20 176.015 1.605 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 20 175.250 1.917 -0.754 1.00 0.00 H new ATOM 331 N ALA A 21 174.436 3.473 -5.055 1.00 0.00 N ATOM 332 CA ALA A 21 175.282 3.725 -6.214 1.00 0.00 C ATOM 333 C ALA A 21 175.790 5.163 -6.218 1.00 0.00 C ATOM 334 O ALA A 21 176.977 5.412 -6.425 1.00 0.00 O ATOM 335 CB ALA A 21 174.522 3.430 -7.499 1.00 0.00 C ATOM 0 H ALA A 21 173.485 3.181 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 21 176.144 3.060 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.167 3.623 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.212 2.385 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.642 4.070 -7.556 1.00 0.00 H new ATOM 341 N ASP A 22 174.882 6.105 -5.984 1.00 0.00 N ATOM 342 CA ASP A 22 175.238 7.519 -5.958 1.00 0.00 C ATOM 343 C ASP A 22 176.263 7.798 -4.864 1.00 0.00 C ATOM 344 O ASP A 22 177.157 8.628 -5.034 1.00 0.00 O ATOM 345 CB ASP A 22 173.991 8.377 -5.734 1.00 0.00 C ATOM 346 CG ASP A 22 174.230 9.838 -6.060 1.00 0.00 C ATOM 347 OD1 ASP A 22 175.401 10.269 -6.030 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.244 10.552 -6.343 1.00 0.00 O ATOM 0 H ASP A 22 173.895 5.915 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 22 175.679 7.776 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.177 7.998 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.672 8.286 -4.696 1.00 0.00 H new ATOM 353 N ARG A 23 176.130 7.098 -3.743 1.00 0.00 N ATOM 354 CA ARG A 23 177.048 7.269 -2.621 1.00 0.00 C ATOM 355 C ARG A 23 178.375 6.572 -2.903 1.00 0.00 C ATOM 356 O ARG A 23 179.442 7.178 -2.798 1.00 0.00 O ATOM 357 CB ARG A 23 176.436 6.715 -1.329 1.00 0.00 C ATOM 358 CG ARG A 23 174.921 6.833 -1.263 1.00 0.00 C ATOM 359 CD ARG A 23 174.448 7.193 0.136 1.00 0.00 C ATOM 360 NE ARG A 23 173.175 7.910 0.115 1.00 0.00 N ATOM 361 CZ ARG A 23 173.060 9.207 -0.158 1.00 0.00 C ATOM 362 NH1 ARG A 23 174.137 9.934 -0.433 1.00 0.00 N ATOM 363 NH2 ARG A 23 171.864 9.781 -0.158 1.00 0.00 N ATOM 0 H ARG A 23 175.396 6.407 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 23 177.228 8.337 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.713 5.666 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.869 7.242 -0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.584 7.592 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 174.468 5.890 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.343 6.284 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 23 175.202 7.808 0.627 1.00 0.00 H new ATOM 0 HE ARG A 23 172.325 7.386 0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 23 175.059 9.498 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 23 174.042 10.928 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 23 171.033 9.228 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 23 171.776 10.775 -0.367 1.00 0.00 H new ATOM 377 N LEU A 24 178.298 5.295 -3.265 1.00 0.00 N ATOM 378 CA LEU A 24 179.489 4.509 -3.564 1.00 0.00 C ATOM 379 C LEU A 24 180.248 5.096 -4.749 1.00 0.00 C ATOM 380 O LEU A 24 181.461 5.296 -4.684 1.00 0.00 O ATOM 381 CB LEU A 24 179.102 3.059 -3.861 1.00 0.00 C ATOM 382 CG LEU A 24 180.221 2.036 -3.665 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.810 2.151 -2.268 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.702 0.626 -3.913 1.00 0.00 C ATOM 0 H LEU A 24 177.421 4.782 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 24 180.141 4.536 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.264 2.785 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.750 2.997 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 24 181.010 2.244 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.605 1.415 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.217 3.152 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.031 1.968 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.511 -0.090 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.895 0.407 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.328 0.550 -4.934 1.00 0.00 H new ATOM 396 N ALA A 25 179.525 5.370 -5.831 1.00 0.00 N ATOM 397 CA ALA A 25 180.131 5.934 -7.032 1.00 0.00 C ATOM 398 C ALA A 25 180.849 7.244 -6.726 1.00 0.00 C ATOM 399 O ALA A 25 182.033 7.400 -7.025 1.00 0.00 O ATOM 400 CB ALA A 25 179.072 6.149 -8.104 1.00 0.00 C ATOM 0 H ALA A 25 178.520 5.211 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 25 180.871 5.224 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.537 6.570 -8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.608 5.195 -8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.312 6.836 -7.732 1.00 0.00 H new ATOM 406 N LYS A 26 180.126 8.183 -6.127 1.00 0.00 N ATOM 407 CA LYS A 26 180.693 9.481 -5.780 1.00 0.00 C ATOM 408 C LYS A 26 181.809 9.338 -4.748 1.00 0.00 C ATOM 409 O LYS A 26 182.615 10.252 -4.564 1.00 0.00 O ATOM 410 CB LYS A 26 179.603 10.412 -5.247 1.00 0.00 C ATOM 411 CG LYS A 26 178.586 10.822 -6.299 1.00 0.00 C ATOM 412 CD LYS A 26 179.256 11.444 -7.513 1.00 0.00 C ATOM 413 CE LYS A 26 179.375 10.449 -8.656 1.00 0.00 C ATOM 414 NZ LYS A 26 178.075 9.787 -8.953 1.00 0.00 N ATOM 0 H LYS A 26 179.145 8.070 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 26 181.120 9.913 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.084 9.918 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.070 11.307 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.010 9.950 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 26 177.882 11.533 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.682 12.310 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 26 180.247 11.804 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 26 179.733 10.962 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 26 180.118 9.693 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 178.020 9.571 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 178.002 8.905 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 177.294 10.422 -8.691 1.00 0.00 H new ATOM 428 N LEU A 27 181.855 8.191 -4.074 1.00 0.00 N ATOM 429 CA LEU A 27 182.877 7.941 -3.064 1.00 0.00 C ATOM 430 C LEU A 27 184.266 7.835 -3.693 1.00 0.00 C ATOM 431 O LEU A 27 185.275 7.863 -2.992 1.00 0.00 O ATOM 432 CB LEU A 27 182.558 6.661 -2.288 1.00 0.00 C ATOM 433 CG LEU A 27 182.917 6.700 -0.802 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.843 6.014 0.028 1.00 0.00 C ATOM 435 CD2 LEU A 27 184.273 6.050 -0.563 1.00 0.00 C ATOM 0 H LEU A 27 181.198 7.423 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 27 182.877 8.787 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.493 6.452 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.089 5.830 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 27 182.975 7.743 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 27 182.118 6.053 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.890 6.523 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.750 4.974 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.512 6.087 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.242 5.011 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 27 185.038 6.586 -1.126 1.00 0.00 H new ATOM 447 N GLU A 28 184.315 7.713 -5.016 1.00 0.00 N ATOM 448 CA GLU A 28 185.586 7.606 -5.723 1.00 0.00 C ATOM 449 C GLU A 28 186.433 8.861 -5.522 1.00 0.00 C ATOM 450 O GLU A 28 187.642 8.845 -5.755 1.00 0.00 O ATOM 451 CB GLU A 28 185.344 7.370 -7.215 1.00 0.00 C ATOM 452 CG GLU A 28 185.427 5.907 -7.621 1.00 0.00 C ATOM 453 CD GLU A 28 186.736 5.566 -8.307 1.00 0.00 C ATOM 454 OE1 GLU A 28 187.677 6.385 -8.237 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.821 4.477 -8.915 1.00 0.00 O ATOM 0 H GLU A 28 183.492 7.686 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 28 186.131 6.756 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.360 7.757 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 28 186.076 7.940 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.311 5.281 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 28 184.599 5.672 -8.289 1.00 0.00 H new ATOM 462 N LYS A 29 185.796 9.949 -5.093 1.00 0.00 N ATOM 463 CA LYS A 29 186.501 11.207 -4.868 1.00 0.00 C ATOM 464 C LYS A 29 186.910 11.363 -3.405 1.00 0.00 C ATOM 465 O LYS A 29 187.162 12.474 -2.940 1.00 0.00 O ATOM 466 CB LYS A 29 185.625 12.387 -5.293 1.00 0.00 C ATOM 467 CG LYS A 29 186.413 13.554 -5.864 1.00 0.00 C ATOM 468 CD LYS A 29 186.475 13.495 -7.381 1.00 0.00 C ATOM 469 CE LYS A 29 187.186 14.708 -7.958 1.00 0.00 C ATOM 470 NZ LYS A 29 186.352 15.938 -7.866 1.00 0.00 N ATOM 0 H LYS A 29 184.796 9.984 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 29 187.407 11.194 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.906 12.046 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.052 12.732 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.952 14.492 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 29 187.424 13.546 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 29 186.993 12.587 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 29 185.464 13.438 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 29 188.124 14.865 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.439 14.518 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 186.829 16.719 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 185.426 15.764 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 186.217 16.192 -6.867 1.00 0.00 H new ATOM 484 N TRP A 30 186.982 10.247 -2.684 1.00 0.00 N ATOM 485 CA TRP A 30 187.370 10.274 -1.277 1.00 0.00 C ATOM 486 C TRP A 30 188.836 9.880 -1.121 1.00 0.00 C ATOM 487 O TRP A 30 189.217 9.236 -0.146 1.00 0.00 O ATOM 488 CB TRP A 30 186.485 9.328 -0.460 1.00 0.00 C ATOM 489 CG TRP A 30 185.418 10.033 0.323 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.139 10.286 -0.080 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.540 10.573 1.644 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.457 10.950 0.912 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.295 11.137 1.979 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.580 10.631 2.575 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.063 11.753 3.207 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.348 11.243 3.793 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.099 11.797 4.099 1.00 0.00 C ATOM 0 H TRP A 30 186.778 9.317 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 30 187.237 11.290 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.016 8.610 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.112 8.759 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.724 10.006 -1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.485 11.254 0.862 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.547 10.206 2.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.100 12.180 3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.144 11.295 4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.951 12.269 5.059 1.00 0.00 H new ATOM 508 N GLN A 31 189.655 10.257 -2.099 1.00 0.00 N ATOM 509 CA GLN A 31 191.084 9.940 -2.079 1.00 0.00 C ATOM 510 C GLN A 31 191.337 8.475 -1.708 1.00 0.00 C ATOM 511 O GLN A 31 192.445 8.113 -1.314 1.00 0.00 O ATOM 512 CB GLN A 31 191.810 10.858 -1.091 1.00 0.00 C ATOM 513 CG GLN A 31 192.531 12.019 -1.757 1.00 0.00 C ATOM 514 CD GLN A 31 191.605 12.872 -2.604 1.00 0.00 C ATOM 515 OE1 GLN A 31 191.890 13.149 -3.769 1.00 0.00 O ATOM 516 NE2 GLN A 31 190.491 13.295 -2.020 1.00 0.00 N ATOM 0 H GLN A 31 189.354 10.784 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 31 191.472 10.101 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.088 11.252 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.532 10.270 -0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.994 12.642 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.336 11.632 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 31 190.295 13.041 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 31 189.831 13.874 -2.539 1.00 0.00 H new ATOM 525 N THR A 32 190.310 7.638 -1.831 1.00 0.00 N ATOM 526 CA THR A 32 190.434 6.223 -1.506 1.00 0.00 C ATOM 527 C THR A 32 190.826 5.409 -2.733 1.00 0.00 C ATOM 528 O THR A 32 191.082 5.963 -3.803 1.00 0.00 O ATOM 529 CB THR A 32 189.120 5.695 -0.926 1.00 0.00 C ATOM 530 OG1 THR A 32 188.029 6.494 -1.347 1.00 0.00 O ATOM 531 CG2 THR A 32 189.106 5.661 0.587 1.00 0.00 C ATOM 0 H THR A 32 189.383 7.917 -2.154 1.00 0.00 H new ATOM 0 HA THR A 32 191.222 6.118 -0.761 1.00 0.00 H new ATOM 0 HB THR A 32 189.029 4.675 -1.298 1.00 0.00 H new ATOM 0 HG1 THR A 32 187.198 6.139 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.147 5.277 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.906 5.013 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 32 189.255 6.669 0.975 1.00 0.00 H new ATOM 539 N HIS A 33 190.882 4.091 -2.568 1.00 0.00 N ATOM 540 CA HIS A 33 191.255 3.197 -3.659 1.00 0.00 C ATOM 541 C HIS A 33 190.402 1.926 -3.673 1.00 0.00 C ATOM 542 O HIS A 33 190.667 1.018 -4.461 1.00 0.00 O ATOM 543 CB HIS A 33 192.736 2.833 -3.558 1.00 0.00 C ATOM 544 CG HIS A 33 193.651 3.995 -3.798 1.00 0.00 C ATOM 545 ND1 HIS A 33 194.235 4.859 -2.933 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 194.062 4.381 -5.056 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 194.978 5.741 -3.678 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 194.857 5.432 -4.956 1.00 0.00 N flip ATOM 0 H HIS A 33 190.674 3.618 -1.689 1.00 0.00 H new ATOM 0 HA HIS A 33 191.074 3.727 -4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.935 2.422 -2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.960 2.048 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.778 3.899 -5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.566 6.556 -3.283 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.301 5.921 -5.733 1.00 0.00 H new ATOM 557 N LEU A 34 189.399 1.862 -2.784 1.00 0.00 N ATOM 558 CA LEU A 34 188.500 0.698 -2.663 1.00 0.00 C ATOM 559 C LEU A 34 188.553 -0.214 -3.886 1.00 0.00 C ATOM 560 O LEU A 34 188.551 0.251 -5.026 1.00 0.00 O ATOM 561 CB LEU A 34 187.045 1.133 -2.428 1.00 0.00 C ATOM 562 CG LEU A 34 186.793 2.640 -2.301 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.342 3.223 -3.633 1.00 0.00 C ATOM 564 CD2 LEU A 34 185.756 2.903 -1.224 1.00 0.00 C ATOM 0 H LEU A 34 189.186 2.614 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 34 188.858 0.137 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.439 0.754 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.687 0.650 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 34 187.725 3.128 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.168 4.293 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 34 187.115 3.057 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 185.419 2.737 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.583 3.976 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 34 184.823 2.404 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.116 2.518 -0.270 1.00 0.00 H new ATOM 576 N ILE A 35 188.599 -1.517 -3.637 1.00 0.00 N ATOM 577 CA ILE A 35 188.658 -2.495 -4.720 1.00 0.00 C ATOM 578 C ILE A 35 187.561 -3.551 -4.598 1.00 0.00 C ATOM 579 O ILE A 35 186.894 -3.877 -5.582 1.00 0.00 O ATOM 580 CB ILE A 35 190.031 -3.207 -4.780 1.00 0.00 C ATOM 581 CG1 ILE A 35 191.035 -2.542 -3.832 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.566 -3.205 -6.204 1.00 0.00 C ATOM 583 CD1 ILE A 35 192.391 -3.215 -3.820 1.00 0.00 C ATOM 0 H ILE A 35 188.597 -1.921 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 35 188.507 -1.929 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 35 189.893 -4.239 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.159 -1.498 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.627 -2.547 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.532 -3.709 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.866 -3.727 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.684 -2.177 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 35 193.051 -2.692 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 35 192.280 -4.252 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.820 -3.187 -4.822 1.00 0.00 H new ATOM 595 N ASN A 36 187.389 -4.095 -3.397 1.00 0.00 N ATOM 596 CA ASN A 36 186.382 -5.127 -3.168 1.00 0.00 C ATOM 597 C ASN A 36 185.188 -4.590 -2.377 1.00 0.00 C ATOM 598 O ASN A 36 184.990 -4.946 -1.215 1.00 0.00 O ATOM 599 CB ASN A 36 187.005 -6.314 -2.428 1.00 0.00 C ATOM 600 CG ASN A 36 188.194 -6.896 -3.167 1.00 0.00 C ATOM 601 OD1 ASN A 36 188.218 -6.929 -4.397 1.00 0.00 O ATOM 602 ND2 ASN A 36 189.188 -7.358 -2.417 1.00 0.00 N ATOM 0 H ASN A 36 187.931 -3.840 -2.571 1.00 0.00 H new ATOM 0 HA ASN A 36 186.017 -5.453 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.319 -5.995 -1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.251 -7.089 -2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 36 190.015 -7.761 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 36 189.125 -7.310 -1.400 1.00 0.00 H new ATOM 609 N PRO A 37 184.367 -3.730 -3.006 1.00 0.00 N ATOM 610 CA PRO A 37 183.181 -3.151 -2.364 1.00 0.00 C ATOM 611 C PRO A 37 182.101 -4.196 -2.109 1.00 0.00 C ATOM 612 O PRO A 37 181.779 -4.997 -2.987 1.00 0.00 O ATOM 613 CB PRO A 37 182.690 -2.124 -3.385 1.00 0.00 C ATOM 614 CG PRO A 37 183.191 -2.634 -4.689 1.00 0.00 C ATOM 615 CD PRO A 37 184.523 -3.257 -4.391 1.00 0.00 C ATOM 0 HA PRO A 37 183.412 -2.726 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.603 -2.046 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.082 -1.130 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.503 -3.364 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.289 -1.827 -5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.747 -4.076 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.335 -2.536 -4.482 1.00 0.00 H new ATOM 623 N HIS A 38 181.545 -4.180 -0.907 1.00 0.00 N ATOM 624 CA HIS A 38 180.498 -5.126 -0.534 1.00 0.00 C ATOM 625 C HIS A 38 179.293 -4.399 0.058 1.00 0.00 C ATOM 626 O HIS A 38 179.431 -3.614 0.995 1.00 0.00 O ATOM 627 CB HIS A 38 181.039 -6.148 0.468 1.00 0.00 C ATOM 628 CG HIS A 38 180.891 -7.568 0.017 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.915 -8.490 0.086 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.832 -8.224 -0.512 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.491 -9.651 -0.380 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.230 -9.516 -0.749 1.00 0.00 N ATOM 0 H HIS A 38 181.800 -3.522 -0.170 1.00 0.00 H new ATOM 0 HA HIS A 38 180.176 -5.648 -1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.094 -5.942 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.520 -6.022 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.855 -7.808 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.076 -10.556 -0.448 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.647 -10.253 -1.146 1.00 0.00 H new ATOM 641 N ILE A 39 178.113 -4.668 -0.493 1.00 0.00 N ATOM 642 CA ILE A 39 176.886 -4.041 -0.015 1.00 0.00 C ATOM 643 C ILE A 39 175.849 -5.096 0.360 1.00 0.00 C ATOM 644 O ILE A 39 175.302 -5.780 -0.505 1.00 0.00 O ATOM 645 CB ILE A 39 176.288 -3.083 -1.073 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.249 -1.923 -1.346 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.932 -2.553 -0.617 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.537 -2.345 -2.020 1.00 0.00 C ATOM 0 H ILE A 39 177.981 -5.315 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 39 177.146 -3.460 0.870 1.00 0.00 H new ATOM 0 HB ILE A 39 176.144 -3.642 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.746 -1.186 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.487 -1.431 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.530 -1.882 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.246 -3.387 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.050 -2.011 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.167 -1.470 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 39 179.063 -3.059 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.310 -2.810 -2.979 1.00 0.00 H new ATOM 660 N ILE A 40 175.585 -5.220 1.656 1.00 0.00 N ATOM 661 CA ILE A 40 174.615 -6.190 2.151 1.00 0.00 C ATOM 662 C ILE A 40 173.411 -5.492 2.774 1.00 0.00 C ATOM 663 O ILE A 40 173.360 -5.283 3.986 1.00 0.00 O ATOM 664 CB ILE A 40 175.251 -7.136 3.193 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.414 -7.910 2.567 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.212 -8.098 3.753 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.724 -7.155 2.585 1.00 0.00 C ATOM 0 H ILE A 40 176.030 -4.660 2.384 1.00 0.00 H new ATOM 0 HA ILE A 40 174.284 -6.778 1.295 1.00 0.00 H new ATOM 0 HB ILE A 40 175.635 -6.533 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.540 -8.853 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.161 -8.158 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.682 -8.755 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.414 -7.532 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.796 -8.696 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.502 -7.765 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.615 -6.225 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 40 178.000 -6.930 3.615 1.00 0.00 H new ATOM 679 N LEU A 41 172.439 -5.142 1.937 1.00 0.00 N ATOM 680 CA LEU A 41 171.230 -4.473 2.409 1.00 0.00 C ATOM 681 C LEU A 41 170.145 -5.497 2.725 1.00 0.00 C ATOM 682 O LEU A 41 169.469 -5.999 1.829 1.00 0.00 O ATOM 683 CB LEU A 41 170.728 -3.482 1.354 1.00 0.00 C ATOM 684 CG LEU A 41 169.350 -2.875 1.635 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.402 -1.357 1.542 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.313 -3.434 0.671 1.00 0.00 C ATOM 0 H LEU A 41 172.464 -5.310 0.931 1.00 0.00 H new ATOM 0 HA LEU A 41 171.469 -3.926 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.453 -2.673 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.695 -3.988 0.389 1.00 0.00 H new ATOM 0 HG LEU A 41 169.058 -3.146 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.413 -0.946 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.112 -0.972 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.718 -1.064 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.340 -2.991 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.602 -3.196 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.253 -4.516 0.788 1.00 0.00 H new ATOM 698 N SER A 42 169.989 -5.812 4.005 1.00 0.00 N ATOM 699 CA SER A 42 168.990 -6.786 4.428 1.00 0.00 C ATOM 700 C SER A 42 167.879 -6.127 5.239 1.00 0.00 C ATOM 701 O SER A 42 168.095 -5.115 5.905 1.00 0.00 O ATOM 702 CB SER A 42 169.654 -7.892 5.247 1.00 0.00 C ATOM 703 OG SER A 42 170.677 -8.529 4.501 1.00 0.00 O ATOM 0 H SER A 42 170.538 -5.410 4.765 1.00 0.00 H new ATOM 0 HA SER A 42 168.540 -7.219 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 42 170.073 -7.471 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.907 -8.626 5.547 1.00 0.00 H new ATOM 0 HG SER A 42 171.002 -9.312 4.993 1.00 0.00 H new ATOM 709 N LYS A 43 166.685 -6.713 5.173 1.00 0.00 N ATOM 710 CA LYS A 43 165.532 -6.191 5.898 1.00 0.00 C ATOM 711 C LYS A 43 165.385 -6.872 7.254 1.00 0.00 C ATOM 712 O LYS A 43 165.153 -8.079 7.330 1.00 0.00 O ATOM 713 CB LYS A 43 164.257 -6.389 5.075 1.00 0.00 C ATOM 714 CG LYS A 43 163.001 -5.881 5.765 1.00 0.00 C ATOM 715 CD LYS A 43 161.980 -6.991 5.961 1.00 0.00 C ATOM 716 CE LYS A 43 161.145 -6.768 7.211 1.00 0.00 C ATOM 717 NZ LYS A 43 161.562 -7.665 8.322 1.00 0.00 N ATOM 0 H LYS A 43 166.492 -7.551 4.624 1.00 0.00 H new ATOM 0 HA LYS A 43 165.691 -5.125 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.369 -5.877 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.137 -7.450 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.265 -5.454 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.559 -5.080 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.326 -7.043 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.493 -7.950 6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.237 -5.729 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.093 -6.939 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.969 -7.483 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.451 -8.656 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 162.558 -7.484 8.559 1.00 0.00 H new ATOM 731 N GLU A 44 165.519 -6.092 8.321 1.00 0.00 N ATOM 732 CA GLU A 44 165.396 -6.627 9.672 1.00 0.00 C ATOM 733 C GLU A 44 164.100 -6.157 10.327 1.00 0.00 C ATOM 734 O GLU A 44 163.652 -5.032 10.102 1.00 0.00 O ATOM 735 CB GLU A 44 166.592 -6.208 10.531 1.00 0.00 C ATOM 736 CG GLU A 44 167.546 -7.349 10.842 1.00 0.00 C ATOM 737 CD GLU A 44 168.646 -6.949 11.807 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.694 -5.763 12.197 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.462 -7.822 12.173 1.00 0.00 O ATOM 0 H GLU A 44 165.712 -5.091 8.277 1.00 0.00 H new ATOM 0 HA GLU A 44 165.377 -7.714 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.139 -5.418 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.226 -5.786 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.984 -8.182 11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.994 -7.705 9.914 1.00 0.00 H new ATOM 746 N PRO A 45 163.481 -7.020 11.150 1.00 0.00 N ATOM 747 CA PRO A 45 162.237 -6.712 11.847 1.00 0.00 C ATOM 748 C PRO A 45 162.182 -5.279 12.364 1.00 0.00 C ATOM 749 O PRO A 45 161.207 -4.561 12.138 1.00 0.00 O ATOM 750 CB PRO A 45 162.234 -7.687 13.038 1.00 0.00 C ATOM 751 CG PRO A 45 163.416 -8.593 12.858 1.00 0.00 C ATOM 752 CD PRO A 45 163.943 -8.372 11.467 1.00 0.00 C ATOM 0 HA PRO A 45 161.381 -6.812 11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.302 -7.145 13.981 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.308 -8.261 13.066 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.184 -8.373 13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 45 163.126 -9.634 12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 45 165.030 -8.446 11.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.550 -9.108 10.765 1.00 0.00 H new ATOM 760 N GLN A 46 163.217 -4.887 13.092 1.00 0.00 N ATOM 761 CA GLN A 46 163.277 -3.559 13.683 1.00 0.00 C ATOM 762 C GLN A 46 164.182 -2.604 12.903 1.00 0.00 C ATOM 763 O GLN A 46 164.982 -1.880 13.496 1.00 0.00 O ATOM 764 CB GLN A 46 163.755 -3.675 15.128 1.00 0.00 C ATOM 765 CG GLN A 46 163.136 -2.647 16.061 1.00 0.00 C ATOM 766 CD GLN A 46 162.374 -3.281 17.208 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.576 -2.932 18.371 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.493 -4.220 16.885 1.00 0.00 N ATOM 0 H GLN A 46 164.029 -5.472 13.288 1.00 0.00 H new ATOM 0 HA GLN A 46 162.273 -3.135 13.648 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.525 -4.674 15.498 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.839 -3.568 15.152 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.922 -2.007 16.462 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.462 -2.006 15.493 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.358 -4.478 15.907 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.951 -4.684 17.614 1.00 0.00 H new ATOM 777 N GLY A 47 164.039 -2.583 11.580 1.00 0.00 N ATOM 778 CA GLY A 47 164.843 -1.677 10.774 1.00 0.00 C ATOM 779 C GLY A 47 165.694 -2.369 9.725 1.00 0.00 C ATOM 780 O GLY A 47 165.923 -3.577 9.787 1.00 0.00 O ATOM 0 H GLY A 47 163.389 -3.169 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.182 -0.965 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.494 -1.102 11.433 1.00 0.00 H new ATOM 784 N PHE A 48 166.168 -1.580 8.761 1.00 0.00 N ATOM 785 CA PHE A 48 167.012 -2.084 7.680 1.00 0.00 C ATOM 786 C PHE A 48 168.432 -2.316 8.176 1.00 0.00 C ATOM 787 O PHE A 48 168.922 -1.580 9.037 1.00 0.00 O ATOM 788 CB PHE A 48 167.050 -1.080 6.524 1.00 0.00 C ATOM 789 CG PHE A 48 166.119 -1.394 5.389 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.936 -2.695 4.954 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.435 -0.376 4.749 1.00 0.00 C ATOM 792 CE1 PHE A 48 165.087 -2.975 3.899 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.584 -0.647 3.695 1.00 0.00 C ATOM 794 CZ PHE A 48 164.410 -1.947 3.269 1.00 0.00 C ATOM 0 H PHE A 48 165.979 -0.579 8.708 1.00 0.00 H new ATOM 0 HA PHE A 48 166.589 -3.027 7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.807 -0.091 6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 48 168.068 -1.030 6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 48 166.462 -3.501 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.568 0.644 5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 48 164.953 -3.994 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.056 0.158 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.746 -2.162 2.445 1.00 0.00 H new ATOM 804 N VAL A 49 169.089 -3.331 7.620 1.00 0.00 N ATOM 805 CA VAL A 49 170.463 -3.658 7.993 1.00 0.00 C ATOM 806 C VAL A 49 171.426 -3.336 6.858 1.00 0.00 C ATOM 807 O VAL A 49 171.902 -4.232 6.159 1.00 0.00 O ATOM 808 CB VAL A 49 170.612 -5.143 8.364 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.937 -5.390 9.068 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.449 -5.590 9.228 1.00 0.00 C ATOM 0 H VAL A 49 168.691 -3.943 6.908 1.00 0.00 H new ATOM 0 HA VAL A 49 170.705 -3.050 8.864 1.00 0.00 H new ATOM 0 HB VAL A 49 170.603 -5.732 7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 49 172.023 -6.447 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.758 -5.108 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.982 -4.793 9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.568 -6.643 9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.425 -4.996 10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.516 -5.452 8.682 1.00 0.00 H new ATOM 820 N ALA A 50 171.705 -2.054 6.679 1.00 0.00 N ATOM 821 CA ALA A 50 172.611 -1.609 5.628 1.00 0.00 C ATOM 822 C ALA A 50 174.063 -1.872 6.011 1.00 0.00 C ATOM 823 O ALA A 50 174.686 -1.070 6.703 1.00 0.00 O ATOM 824 CB ALA A 50 172.398 -0.132 5.337 1.00 0.00 C ATOM 0 H ALA A 50 171.317 -1.302 7.248 1.00 0.00 H new ATOM 0 HA ALA A 50 172.391 -2.179 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.082 0.186 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.370 0.030 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.589 0.448 6.240 1.00 0.00 H new ATOM 830 N ASP A 51 174.594 -3.004 5.559 1.00 0.00 N ATOM 831 CA ASP A 51 175.973 -3.375 5.860 1.00 0.00 C ATOM 832 C ASP A 51 176.851 -3.285 4.616 1.00 0.00 C ATOM 833 O ASP A 51 177.036 -4.270 3.903 1.00 0.00 O ATOM 834 CB ASP A 51 176.028 -4.792 6.434 1.00 0.00 C ATOM 835 CG ASP A 51 177.037 -4.923 7.559 1.00 0.00 C ATOM 836 OD1 ASP A 51 176.715 -4.520 8.695 1.00 0.00 O ATOM 837 OD2 ASP A 51 178.150 -5.427 7.300 1.00 0.00 O ATOM 0 H ASP A 51 174.091 -3.680 4.984 1.00 0.00 H new ATOM 0 HA ASP A 51 176.355 -2.673 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.040 -5.070 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.282 -5.493 5.639 1.00 0.00 H new ATOM 842 N ALA A 52 177.393 -2.098 4.365 1.00 0.00 N ATOM 843 CA ALA A 52 178.256 -1.879 3.211 1.00 0.00 C ATOM 844 C ALA A 52 179.725 -1.885 3.622 1.00 0.00 C ATOM 845 O ALA A 52 180.204 -0.948 4.256 1.00 0.00 O ATOM 846 CB ALA A 52 177.901 -0.569 2.524 1.00 0.00 C ATOM 0 H ALA A 52 177.249 -1.272 4.946 1.00 0.00 H new ATOM 0 HA ALA A 52 178.097 -2.696 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.554 -0.420 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.864 -0.603 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.030 0.256 3.225 1.00 0.00 H new ATOM 852 N THR A 53 180.433 -2.947 3.257 1.00 0.00 N ATOM 853 CA THR A 53 181.846 -3.076 3.590 1.00 0.00 C ATOM 854 C THR A 53 182.711 -2.964 2.339 1.00 0.00 C ATOM 855 O THR A 53 182.605 -3.778 1.423 1.00 0.00 O ATOM 856 CB THR A 53 182.106 -4.412 4.288 1.00 0.00 C ATOM 857 OG1 THR A 53 181.226 -4.583 5.384 1.00 0.00 O ATOM 858 CG2 THR A 53 183.521 -4.552 4.809 1.00 0.00 C ATOM 0 H THR A 53 180.051 -3.732 2.730 1.00 0.00 H new ATOM 0 HA THR A 53 182.111 -2.264 4.267 1.00 0.00 H new ATOM 0 HB THR A 53 181.941 -5.173 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.406 -5.444 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.636 -5.522 5.292 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.224 -4.474 3.979 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.723 -3.761 5.531 1.00 0.00 H new ATOM 866 N ILE A 54 183.564 -1.945 2.308 1.00 0.00 N ATOM 867 CA ILE A 54 184.445 -1.720 1.166 1.00 0.00 C ATOM 868 C ILE A 54 185.904 -1.930 1.559 1.00 0.00 C ATOM 869 O ILE A 54 186.332 -1.515 2.634 1.00 0.00 O ATOM 870 CB ILE A 54 184.272 -0.297 0.583 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.985 0.349 1.112 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.262 -0.350 -0.937 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.645 1.669 0.454 1.00 0.00 C ATOM 0 H ILE A 54 183.664 -1.262 3.059 1.00 0.00 H new ATOM 0 HA ILE A 54 184.167 -2.444 0.401 1.00 0.00 H new ATOM 0 HB ILE A 54 185.115 0.316 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.156 -0.343 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 54 183.083 0.505 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.140 0.657 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.203 -0.769 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.436 -0.976 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.723 2.062 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.455 2.379 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.513 1.518 -0.617 1.00 0.00 H new ATOM 885 N ASN A 55 186.660 -2.585 0.683 1.00 0.00 N ATOM 886 CA ASN A 55 188.068 -2.854 0.949 1.00 0.00 C ATOM 887 C ASN A 55 188.954 -1.705 0.482 1.00 0.00 C ATOM 888 O ASN A 55 189.570 -1.771 -0.583 1.00 0.00 O ATOM 889 CB ASN A 55 188.502 -4.157 0.274 1.00 0.00 C ATOM 890 CG ASN A 55 189.445 -4.971 1.140 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.356 -4.291 1.829 1.00 0.00 O flip ATOM 892 ND2 ASN A 55 189.358 -6.198 1.190 1.00 0.00 N flip ATOM 0 H ASN A 55 186.323 -2.938 -0.213 1.00 0.00 H new ATOM 0 HA ASN A 55 188.185 -2.955 2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.620 -4.754 0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.990 -3.927 -0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 55 188.644 -6.681 0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.000 -6.731 1.776 1.00 0.00 H new ATOM 899 N THR A 56 189.017 -0.653 1.293 1.00 0.00 N ATOM 900 CA THR A 56 189.834 0.514 0.979 1.00 0.00 C ATOM 901 C THR A 56 191.216 0.381 1.615 1.00 0.00 C ATOM 902 O THR A 56 191.408 -0.407 2.542 1.00 0.00 O ATOM 903 CB THR A 56 189.152 1.791 1.478 1.00 0.00 C ATOM 904 OG1 THR A 56 188.169 1.488 2.450 1.00 0.00 O ATOM 905 CG2 THR A 56 188.481 2.578 0.374 1.00 0.00 C ATOM 0 H THR A 56 188.510 -0.585 2.175 1.00 0.00 H new ATOM 0 HA THR A 56 189.948 0.574 -0.103 1.00 0.00 H new ATOM 0 HB THR A 56 189.950 2.399 1.903 1.00 0.00 H new ATOM 0 HG1 THR A 56 188.568 1.535 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.017 3.470 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 56 189.224 2.870 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.718 1.961 -0.100 1.00 0.00 H new ATOM 913 N PRO A 57 192.203 1.155 1.129 1.00 0.00 N ATOM 914 CA PRO A 57 193.569 1.115 1.663 1.00 0.00 C ATOM 915 C PRO A 57 193.670 1.711 3.065 1.00 0.00 C ATOM 916 O PRO A 57 194.712 1.610 3.717 1.00 0.00 O ATOM 917 CB PRO A 57 194.361 1.963 0.668 1.00 0.00 C ATOM 918 CG PRO A 57 193.357 2.897 0.086 1.00 0.00 C ATOM 919 CD PRO A 57 192.064 2.130 0.030 1.00 0.00 C ATOM 0 HA PRO A 57 193.933 0.093 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.167 2.505 1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.820 1.344 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.254 3.792 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.660 3.226 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.203 2.782 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.930 1.636 -0.932 1.00 0.00 H new ATOM 927 N ASN A 58 192.590 2.335 3.528 1.00 0.00 N ATOM 928 CA ASN A 58 192.568 2.947 4.851 1.00 0.00 C ATOM 929 C ASN A 58 192.382 1.897 5.947 1.00 0.00 C ATOM 930 O ASN A 58 192.678 2.151 7.114 1.00 0.00 O ATOM 931 CB ASN A 58 191.456 3.996 4.932 1.00 0.00 C ATOM 932 CG ASN A 58 190.070 3.381 4.935 1.00 0.00 C ATOM 933 OD1 ASN A 58 189.779 2.474 4.155 1.00 0.00 O ATOM 934 ND2 ASN A 58 189.207 3.871 5.816 1.00 0.00 N ATOM 0 H ASN A 58 191.719 2.429 3.006 1.00 0.00 H new ATOM 0 HA ASN A 58 193.530 3.434 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 58 191.587 4.590 5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 58 191.544 4.679 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 58 188.260 3.495 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 58 189.491 4.623 6.444 1.00 0.00 H new ATOM 941 N GLY A 59 191.888 0.720 5.566 1.00 0.00 N ATOM 942 CA GLY A 59 191.674 -0.338 6.539 1.00 0.00 C ATOM 943 C GLY A 59 190.254 -0.850 6.543 1.00 0.00 C ATOM 944 O GLY A 59 189.726 -1.250 7.582 1.00 0.00 O ATOM 0 H GLY A 59 191.634 0.482 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.353 -1.164 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.925 0.032 7.533 1.00 0.00 H new ATOM 948 N VAL A 60 189.644 -0.840 5.373 1.00 0.00 N ATOM 949 CA VAL A 60 188.271 -1.310 5.199 1.00 0.00 C ATOM 950 C VAL A 60 187.257 -0.249 5.631 1.00 0.00 C ATOM 951 O VAL A 60 187.354 0.314 6.723 1.00 0.00 O ATOM 952 CB VAL A 60 188.024 -2.636 5.970 1.00 0.00 C ATOM 953 CG1 VAL A 60 187.046 -2.450 7.123 1.00 0.00 C ATOM 954 CG2 VAL A 60 187.535 -3.716 5.019 1.00 0.00 C ATOM 0 H VAL A 60 190.081 -0.507 4.513 1.00 0.00 H new ATOM 0 HA VAL A 60 188.132 -1.502 4.135 1.00 0.00 H new ATOM 0 HB VAL A 60 188.975 -2.949 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.902 -3.401 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 60 187.445 -1.717 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.090 -2.098 6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 60 187.366 -4.639 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 60 186.603 -3.396 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 60 188.285 -3.888 4.247 1.00 0.00 H new ATOM 964 N LEU A 61 186.284 0.011 4.763 1.00 0.00 N ATOM 965 CA LEU A 61 185.243 0.994 5.043 1.00 0.00 C ATOM 966 C LEU A 61 183.906 0.302 5.298 1.00 0.00 C ATOM 967 O LEU A 61 183.155 0.028 4.363 1.00 0.00 O ATOM 968 CB LEU A 61 185.104 1.966 3.868 1.00 0.00 C ATOM 969 CG LEU A 61 186.128 3.102 3.838 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.111 3.802 2.488 1.00 0.00 C ATOM 971 CD2 LEU A 61 185.852 4.095 4.956 1.00 0.00 C ATOM 0 H LEU A 61 186.195 -0.448 3.856 1.00 0.00 H new ATOM 0 HA LEU A 61 185.528 1.549 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.184 1.402 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.104 2.400 3.892 1.00 0.00 H new ATOM 0 HG LEU A 61 187.119 2.676 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.846 4.607 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.355 3.086 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.119 4.216 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.589 4.897 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 61 184.854 4.514 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 61 185.915 3.586 5.918 1.00 0.00 H new ATOM 983 N VAL A 62 183.618 0.012 6.564 1.00 0.00 N ATOM 984 CA VAL A 62 182.373 -0.658 6.923 1.00 0.00 C ATOM 985 C VAL A 62 181.275 0.348 7.264 1.00 0.00 C ATOM 986 O VAL A 62 181.249 0.917 8.355 1.00 0.00 O ATOM 987 CB VAL A 62 182.571 -1.633 8.105 1.00 0.00 C ATOM 988 CG1 VAL A 62 182.894 -0.890 9.392 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.339 -2.509 8.281 1.00 0.00 C ATOM 0 H VAL A 62 184.226 0.229 7.354 1.00 0.00 H new ATOM 0 HA VAL A 62 182.063 -1.231 6.049 1.00 0.00 H new ATOM 0 HB VAL A 62 183.423 -2.272 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 183.027 -1.607 10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.812 -0.317 9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 62 182.075 -0.213 9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.494 -3.191 9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.471 -1.880 8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 62 181.169 -3.084 7.371 1.00 0.00 H new ATOM 999 N ALA A 63 180.371 0.565 6.315 1.00 0.00 N ATOM 1000 CA ALA A 63 179.271 1.502 6.505 1.00 0.00 C ATOM 1001 C ALA A 63 178.026 0.784 7.013 1.00 0.00 C ATOM 1002 O ALA A 63 177.477 -0.084 6.334 1.00 0.00 O ATOM 1003 CB ALA A 63 178.969 2.226 5.202 1.00 0.00 C ATOM 0 H ALA A 63 180.379 0.104 5.405 1.00 0.00 H new ATOM 0 HA ALA A 63 179.570 2.234 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.146 2.923 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.853 2.774 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.692 1.500 4.438 1.00 0.00 H new ATOM 1009 N SER A 64 177.580 1.154 8.209 1.00 0.00 N ATOM 1010 CA SER A 64 176.396 0.545 8.806 1.00 0.00 C ATOM 1011 C SER A 64 175.225 1.523 8.811 1.00 0.00 C ATOM 1012 O SER A 64 175.321 2.616 9.370 1.00 0.00 O ATOM 1013 CB SER A 64 176.699 0.078 10.233 1.00 0.00 C ATOM 1014 OG SER A 64 178.094 0.026 10.470 1.00 0.00 O ATOM 0 H SER A 64 178.020 1.872 8.784 1.00 0.00 H new ATOM 0 HA SER A 64 176.119 -0.319 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.231 0.756 10.947 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.263 -0.908 10.396 1.00 0.00 H new ATOM 0 HG SER A 64 178.259 -0.273 11.388 1.00 0.00 H new ATOM 1020 N GLY A 65 174.122 1.123 8.187 1.00 0.00 N ATOM 1021 CA GLY A 65 172.949 1.977 8.131 1.00 0.00 C ATOM 1022 C GLY A 65 171.707 1.304 8.683 1.00 0.00 C ATOM 1023 O GLY A 65 170.899 0.764 7.928 1.00 0.00 O ATOM 0 H GLY A 65 174.019 0.223 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.143 2.890 8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.768 2.272 7.097 1.00 0.00 H new ATOM 1027 N LYS A 66 171.553 1.340 10.002 1.00 0.00 N ATOM 1028 CA LYS A 66 170.398 0.735 10.653 1.00 0.00 C ATOM 1029 C LYS A 66 169.256 1.741 10.754 1.00 0.00 C ATOM 1030 O LYS A 66 169.401 2.791 11.378 1.00 0.00 O ATOM 1031 CB LYS A 66 170.782 0.230 12.047 1.00 0.00 C ATOM 1032 CG LYS A 66 169.618 -0.361 12.827 1.00 0.00 C ATOM 1033 CD LYS A 66 169.285 0.473 14.054 1.00 0.00 C ATOM 1034 CE LYS A 66 170.165 0.102 15.236 1.00 0.00 C ATOM 1035 NZ LYS A 66 171.235 1.111 15.472 1.00 0.00 N ATOM 0 H LYS A 66 172.214 1.782 10.641 1.00 0.00 H new ATOM 0 HA LYS A 66 170.064 -0.111 10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.562 -0.525 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.208 1.055 12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 66 168.742 -0.425 12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.864 -1.378 13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.413 1.530 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 66 168.238 0.329 14.320 1.00 0.00 H new ATOM 0 HE2 LYS A 66 169.550 0.009 16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 66 170.619 -0.873 15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 171.748 0.875 16.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 171.897 1.109 14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 170.808 2.055 15.566 1.00 0.00 H new ATOM 1049 N HIS A 67 168.121 1.421 10.135 1.00 0.00 N ATOM 1050 CA HIS A 67 166.969 2.325 10.168 1.00 0.00 C ATOM 1051 C HIS A 67 165.746 1.707 9.494 1.00 0.00 C ATOM 1052 O HIS A 67 165.869 0.961 8.525 1.00 0.00 O ATOM 1053 CB HIS A 67 167.322 3.648 9.486 1.00 0.00 C ATOM 1054 CG HIS A 67 166.931 4.860 10.277 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.309 6.155 10.155 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 166.049 4.819 11.337 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 166.654 6.863 11.133 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 165.900 6.035 11.831 1.00 0.00 N flip ATOM 0 H HIS A 67 167.973 0.558 9.612 1.00 0.00 H new ATOM 0 HA HIS A 67 166.720 2.506 11.214 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.396 3.676 9.303 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.832 3.687 8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.557 3.931 11.706 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.742 7.926 11.303 1.00 0.00 H new ATOM 0 HE2 HIS A 67 165.304 6.290 12.618 1.00 0.00 H new ATOM 1067 N GLU A 68 164.564 2.033 10.010 1.00 0.00 N ATOM 1068 CA GLU A 68 163.314 1.516 9.458 1.00 0.00 C ATOM 1069 C GLU A 68 163.104 2.004 8.028 1.00 0.00 C ATOM 1070 O GLU A 68 162.662 1.246 7.165 1.00 0.00 O ATOM 1071 CB GLU A 68 162.134 1.939 10.332 1.00 0.00 C ATOM 1072 CG GLU A 68 162.199 1.393 11.749 1.00 0.00 C ATOM 1073 CD GLU A 68 160.936 0.655 12.151 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.717 -0.464 11.644 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.167 1.199 12.972 1.00 0.00 O ATOM 0 H GLU A 68 164.445 2.654 10.811 1.00 0.00 H new ATOM 0 HA GLU A 68 163.376 0.428 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.095 3.028 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.208 1.604 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 68 163.052 0.719 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.371 2.215 12.443 1.00 0.00 H new ATOM 1082 N ASP A 69 163.421 3.271 7.785 1.00 0.00 N ATOM 1083 CA ASP A 69 163.263 3.852 6.459 1.00 0.00 C ATOM 1084 C ASP A 69 164.394 3.411 5.536 1.00 0.00 C ATOM 1085 O ASP A 69 165.542 3.279 5.961 1.00 0.00 O ATOM 1086 CB ASP A 69 163.222 5.378 6.547 1.00 0.00 C ATOM 1087 CG ASP A 69 162.257 5.869 7.609 1.00 0.00 C ATOM 1088 OD1 ASP A 69 162.622 5.835 8.802 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.140 6.293 7.245 1.00 0.00 O ATOM 0 H ASP A 69 163.788 3.913 8.488 1.00 0.00 H new ATOM 0 HA ASP A 69 162.320 3.497 6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 69 164.221 5.754 6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 69 162.933 5.788 5.579 1.00 0.00 H new ATOM 1094 N MET A 70 164.057 3.178 4.273 1.00 0.00 N ATOM 1095 CA MET A 70 165.036 2.740 3.285 1.00 0.00 C ATOM 1096 C MET A 70 166.094 3.812 3.030 1.00 0.00 C ATOM 1097 O MET A 70 167.274 3.613 3.323 1.00 0.00 O ATOM 1098 CB MET A 70 164.331 2.375 1.977 1.00 0.00 C ATOM 1099 CG MET A 70 165.188 1.560 1.023 1.00 0.00 C ATOM 1100 SD MET A 70 164.204 0.470 -0.024 1.00 0.00 S ATOM 1101 CE MET A 70 163.496 1.651 -1.169 1.00 0.00 C ATOM 0 H MET A 70 163.111 3.285 3.908 1.00 0.00 H new ATOM 0 HA MET A 70 165.542 1.860 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 70 163.426 1.813 2.208 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.018 3.291 1.476 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.770 2.235 0.395 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.899 0.965 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.946 1.120 -1.946 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.817 2.315 -0.634 1.00 0.00 H new ATOM 0 HE3 MET A 70 164.293 2.238 -1.625 1.00 0.00 H new ATOM 1111 N TYR A 71 165.672 4.943 2.479 1.00 0.00 N ATOM 1112 CA TYR A 71 166.593 6.033 2.176 1.00 0.00 C ATOM 1113 C TYR A 71 167.296 6.546 3.428 1.00 0.00 C ATOM 1114 O TYR A 71 168.505 6.770 3.417 1.00 0.00 O ATOM 1115 CB TYR A 71 165.855 7.170 1.465 1.00 0.00 C ATOM 1116 CG TYR A 71 165.737 6.977 -0.036 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.169 5.804 -0.651 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.193 7.973 -0.840 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.064 5.630 -2.014 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.084 7.804 -2.208 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.521 6.632 -2.789 1.00 0.00 C ATOM 1122 OH TYR A 71 165.412 6.463 -4.151 1.00 0.00 O ATOM 0 H TYR A 71 164.700 5.130 2.233 1.00 0.00 H new ATOM 0 HA TYR A 71 167.362 5.641 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.856 7.264 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.375 8.108 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.594 5.016 -0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.850 8.893 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.405 4.714 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.658 8.586 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 71 165.007 7.262 -4.548 1.00 0.00 H new ATOM 1132 N THR A 72 166.547 6.725 4.513 1.00 0.00 N ATOM 1133 CA THR A 72 167.138 7.200 5.758 1.00 0.00 C ATOM 1134 C THR A 72 168.232 6.244 6.220 1.00 0.00 C ATOM 1135 O THR A 72 169.208 6.654 6.845 1.00 0.00 O ATOM 1136 CB THR A 72 166.075 7.343 6.847 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.841 7.764 6.290 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.454 8.333 7.925 1.00 0.00 C ATOM 0 H THR A 72 165.543 6.551 4.555 1.00 0.00 H new ATOM 0 HA THR A 72 167.576 8.181 5.574 1.00 0.00 H new ATOM 0 HB THR A 72 165.988 6.355 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.221 8.002 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.657 8.387 8.666 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.377 8.010 8.407 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.602 9.317 7.480 1.00 0.00 H new ATOM 1146 N ALA A 73 168.064 4.965 5.892 1.00 0.00 N ATOM 1147 CA ALA A 73 169.040 3.949 6.258 1.00 0.00 C ATOM 1148 C ALA A 73 170.358 4.189 5.530 1.00 0.00 C ATOM 1149 O ALA A 73 171.427 4.171 6.138 1.00 0.00 O ATOM 1150 CB ALA A 73 168.502 2.558 5.949 1.00 0.00 C ATOM 0 H ALA A 73 167.260 4.610 5.374 1.00 0.00 H new ATOM 0 HA ALA A 73 169.223 4.016 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.244 1.810 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.585 2.389 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.291 2.478 4.883 1.00 0.00 H new ATOM 1156 N ILE A 74 170.272 4.427 4.223 1.00 0.00 N ATOM 1157 CA ILE A 74 171.469 4.685 3.421 1.00 0.00 C ATOM 1158 C ILE A 74 172.116 5.997 3.852 1.00 0.00 C ATOM 1159 O ILE A 74 173.328 6.172 3.740 1.00 0.00 O ATOM 1160 CB ILE A 74 171.198 4.747 1.888 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.736 4.437 1.541 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.125 3.794 1.149 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.353 2.984 1.729 1.00 0.00 C ATOM 0 H ILE A 74 169.397 4.447 3.700 1.00 0.00 H new ATOM 0 HA ILE A 74 172.132 3.839 3.600 1.00 0.00 H new ATOM 0 HB ILE A 74 171.398 5.770 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.087 5.056 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.552 4.720 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.924 3.848 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.161 4.074 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.955 2.776 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.305 2.847 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.975 2.358 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.503 2.700 2.771 1.00 0.00 H new ATOM 1175 N ASN A 75 171.299 6.916 4.352 1.00 0.00 N ATOM 1176 CA ASN A 75 171.798 8.204 4.809 1.00 0.00 C ATOM 1177 C ASN A 75 172.568 8.036 6.115 1.00 0.00 C ATOM 1178 O ASN A 75 173.515 8.775 6.392 1.00 0.00 O ATOM 1179 CB ASN A 75 170.639 9.186 4.997 1.00 0.00 C ATOM 1180 CG ASN A 75 170.185 9.796 3.685 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.997 10.286 2.901 1.00 0.00 O ATOM 1182 ND2 ASN A 75 168.879 9.770 3.438 1.00 0.00 N ATOM 0 H ASN A 75 170.291 6.793 4.451 1.00 0.00 H new ATOM 0 HA ASN A 75 172.474 8.606 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.801 8.670 5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.945 9.980 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.516 10.166 2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.240 9.354 4.115 1.00 0.00 H new ATOM 1189 N GLU A 76 172.156 7.052 6.910 1.00 0.00 N ATOM 1190 CA GLU A 76 172.803 6.777 8.187 1.00 0.00 C ATOM 1191 C GLU A 76 174.169 6.124 7.983 1.00 0.00 C ATOM 1192 O GLU A 76 175.146 6.493 8.634 1.00 0.00 O ATOM 1193 CB GLU A 76 171.916 5.876 9.050 1.00 0.00 C ATOM 1194 CG GLU A 76 171.731 6.386 10.470 1.00 0.00 C ATOM 1195 CD GLU A 76 171.081 5.361 11.379 1.00 0.00 C ATOM 1196 OE1 GLU A 76 169.834 5.333 11.446 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.820 4.587 12.023 1.00 0.00 O ATOM 0 H GLU A 76 171.376 6.432 6.691 1.00 0.00 H new ATOM 0 HA GLU A 76 172.951 7.728 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.939 5.781 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.352 4.877 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.701 6.666 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 76 171.120 7.288 10.451 1.00 0.00 H new ATOM 1204 N LEU A 77 174.233 5.148 7.079 1.00 0.00 N ATOM 1205 CA LEU A 77 175.486 4.451 6.806 1.00 0.00 C ATOM 1206 C LEU A 77 176.521 5.403 6.215 1.00 0.00 C ATOM 1207 O LEU A 77 177.715 5.286 6.493 1.00 0.00 O ATOM 1208 CB LEU A 77 175.260 3.263 5.864 1.00 0.00 C ATOM 1209 CG LEU A 77 175.062 3.617 4.388 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.405 3.796 3.692 1.00 0.00 C ATOM 1211 CD2 LEU A 77 174.240 2.544 3.691 1.00 0.00 C ATOM 0 H LEU A 77 173.438 4.825 6.528 1.00 0.00 H new ATOM 0 HA LEU A 77 175.867 4.071 7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 176.113 2.590 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.385 2.712 6.207 1.00 0.00 H new ATOM 0 HG LEU A 77 174.520 4.561 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.241 4.047 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 77 176.961 4.600 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 77 176.975 2.870 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 77 174.108 2.811 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.757 1.587 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 77 173.264 2.464 4.171 1.00 0.00 H new ATOM 1223 N ILE A 78 176.059 6.342 5.397 1.00 0.00 N ATOM 1224 CA ILE A 78 176.950 7.309 4.768 1.00 0.00 C ATOM 1225 C ILE A 78 177.562 8.249 5.808 1.00 0.00 C ATOM 1226 O ILE A 78 178.758 8.531 5.773 1.00 0.00 O ATOM 1227 CB ILE A 78 176.211 8.123 3.671 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.044 8.166 2.387 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.882 9.537 4.140 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.444 8.701 2.584 1.00 0.00 C ATOM 0 H ILE A 78 175.075 6.454 5.154 1.00 0.00 H new ATOM 0 HA ILE A 78 177.757 6.751 4.292 1.00 0.00 H new ATOM 0 HB ILE A 78 175.267 7.618 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.105 7.160 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.529 8.784 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.366 10.073 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.241 9.488 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.804 10.061 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.971 8.700 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.393 9.719 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.978 8.070 3.294 1.00 0.00 H new ATOM 1242 N ASN A 79 176.731 8.730 6.729 1.00 0.00 N ATOM 1243 CA ASN A 79 177.193 9.638 7.774 1.00 0.00 C ATOM 1244 C ASN A 79 178.276 8.992 8.633 1.00 0.00 C ATOM 1245 O ASN A 79 179.377 9.527 8.768 1.00 0.00 O ATOM 1246 CB ASN A 79 176.021 10.072 8.656 1.00 0.00 C ATOM 1247 CG ASN A 79 174.930 10.771 7.867 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.207 11.500 6.914 1.00 0.00 O ATOM 1249 ND2 ASN A 79 173.681 10.552 8.262 1.00 0.00 N ATOM 0 H ASN A 79 175.737 8.507 6.773 1.00 0.00 H new ATOM 0 HA ASN A 79 177.622 10.514 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.602 9.198 9.154 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.385 10.740 9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 79 172.905 10.996 7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.497 9.940 9.057 1.00 0.00 H new ATOM 1256 N LYS A 80 177.955 7.842 9.218 1.00 0.00 N ATOM 1257 CA LYS A 80 178.898 7.126 10.071 1.00 0.00 C ATOM 1258 C LYS A 80 180.204 6.836 9.335 1.00 0.00 C ATOM 1259 O LYS A 80 181.282 7.224 9.787 1.00 0.00 O ATOM 1260 CB LYS A 80 178.274 5.819 10.566 1.00 0.00 C ATOM 1261 CG LYS A 80 178.005 5.801 12.062 1.00 0.00 C ATOM 1262 CD LYS A 80 177.086 6.937 12.479 1.00 0.00 C ATOM 1263 CE LYS A 80 177.424 7.444 13.872 1.00 0.00 C ATOM 1264 NZ LYS A 80 178.873 7.753 14.014 1.00 0.00 N ATOM 0 H LYS A 80 177.048 7.386 9.117 1.00 0.00 H new ATOM 0 HA LYS A 80 179.126 7.762 10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.337 5.649 10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.937 4.991 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.555 4.848 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.948 5.878 12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.169 7.755 11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.051 6.596 12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.839 8.339 14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.139 6.695 14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 178.990 8.614 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 179.353 6.959 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 179.290 7.902 13.073 1.00 0.00 H new ATOM 1278 N LEU A 81 180.102 6.147 8.203 1.00 0.00 N ATOM 1279 CA LEU A 81 181.274 5.798 7.409 1.00 0.00 C ATOM 1280 C LEU A 81 182.048 7.046 6.988 1.00 0.00 C ATOM 1281 O LEU A 81 183.275 7.019 6.880 1.00 0.00 O ATOM 1282 CB LEU A 81 180.857 5.000 6.171 1.00 0.00 C ATOM 1283 CG LEU A 81 182.011 4.456 5.323 1.00 0.00 C ATOM 1284 CD1 LEU A 81 182.600 5.556 4.454 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.085 3.840 6.209 1.00 0.00 C ATOM 0 H LEU A 81 179.218 5.819 7.815 1.00 0.00 H new ATOM 0 HA LEU A 81 181.928 5.184 8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.237 4.163 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.234 5.636 5.542 1.00 0.00 H new ATOM 0 HG LEU A 81 181.618 3.676 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 81 183.418 5.151 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 81 181.829 5.948 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 81 182.976 6.359 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.895 3.460 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.474 4.598 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.655 3.021 6.786 1.00 0.00 H new ATOM 1297 N GLU A 82 181.328 8.137 6.751 1.00 0.00 N ATOM 1298 CA GLU A 82 181.952 9.391 6.339 1.00 0.00 C ATOM 1299 C GLU A 82 182.985 9.851 7.364 1.00 0.00 C ATOM 1300 O GLU A 82 184.118 10.178 7.013 1.00 0.00 O ATOM 1301 CB GLU A 82 180.891 10.477 6.144 1.00 0.00 C ATOM 1302 CG GLU A 82 181.464 11.824 5.728 1.00 0.00 C ATOM 1303 CD GLU A 82 180.841 12.980 6.486 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.597 13.024 6.585 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.599 13.843 6.979 1.00 0.00 O ATOM 0 H GLU A 82 180.312 8.179 6.837 1.00 0.00 H new ATOM 0 HA GLU A 82 182.461 9.217 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.179 10.146 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.335 10.600 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.541 11.824 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.306 11.968 4.659 1.00 0.00 H new ATOM 1312 N ARG A 83 182.586 9.876 8.632 1.00 0.00 N ATOM 1313 CA ARG A 83 183.478 10.299 9.706 1.00 0.00 C ATOM 1314 C ARG A 83 184.662 9.347 9.837 1.00 0.00 C ATOM 1315 O ARG A 83 185.797 9.779 10.042 1.00 0.00 O ATOM 1316 CB ARG A 83 182.715 10.371 11.030 1.00 0.00 C ATOM 1317 CG ARG A 83 183.121 11.551 11.900 1.00 0.00 C ATOM 1318 CD ARG A 83 182.964 12.868 11.159 1.00 0.00 C ATOM 1319 NE ARG A 83 182.601 13.961 12.059 1.00 0.00 N ATOM 1320 CZ ARG A 83 183.472 14.606 12.830 1.00 0.00 C ATOM 1321 NH1 ARG A 83 184.758 14.277 12.812 1.00 0.00 N ATOM 1322 NH2 ARG A 83 183.057 15.584 13.624 1.00 0.00 N ATOM 0 H ARG A 83 181.651 9.608 8.941 1.00 0.00 H new ATOM 0 HA ARG A 83 183.859 11.290 9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.647 10.434 10.822 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.878 9.447 11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.511 11.565 12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 83 184.157 11.432 12.217 1.00 0.00 H new ATOM 0 HD2 ARG A 83 183.897 13.111 10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 83 182.199 12.762 10.389 1.00 0.00 H new ATOM 0 HE ARG A 83 181.622 14.246 12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 83 185.084 13.525 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 83 185.420 14.776 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 83 182.070 15.841 13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 83 183.725 16.079 14.215 1.00 0.00 H new ATOM 1336 N GLN A 84 184.391 8.053 9.716 1.00 0.00 N ATOM 1337 CA GLN A 84 185.435 7.040 9.819 1.00 0.00 C ATOM 1338 C GLN A 84 186.516 7.263 8.766 1.00 0.00 C ATOM 1339 O GLN A 84 187.705 7.312 9.082 1.00 0.00 O ATOM 1340 CB GLN A 84 184.832 5.643 9.666 1.00 0.00 C ATOM 1341 CG GLN A 84 185.759 4.526 10.115 1.00 0.00 C ATOM 1342 CD GLN A 84 185.377 3.182 9.529 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.234 3.134 8.210 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 185.213 2.199 10.252 1.00 0.00 N flip ATOM 0 H GLN A 84 183.457 7.680 9.546 1.00 0.00 H new ATOM 0 HA GLN A 84 185.894 7.123 10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.908 5.590 10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.565 5.484 8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.781 4.768 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.744 4.462 11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 84 185.334 2.282 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 84 184.956 1.301 9.842 1.00 0.00 H new ATOM 1353 N LEU A 85 186.095 7.399 7.512 1.00 0.00 N ATOM 1354 CA LEU A 85 187.028 7.620 6.414 1.00 0.00 C ATOM 1355 C LEU A 85 187.763 8.946 6.585 1.00 0.00 C ATOM 1356 O LEU A 85 188.908 9.090 6.157 1.00 0.00 O ATOM 1357 CB LEU A 85 186.288 7.603 5.075 1.00 0.00 C ATOM 1358 CG LEU A 85 187.131 7.165 3.875 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.257 7.007 2.641 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.248 8.165 3.616 1.00 0.00 C ATOM 0 H LEU A 85 185.115 7.360 7.232 1.00 0.00 H new ATOM 0 HA LEU A 85 187.761 6.813 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.430 6.936 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 85 185.897 8.602 4.880 1.00 0.00 H new ATOM 0 HG LEU A 85 187.581 6.199 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.872 6.695 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.492 6.254 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.779 7.959 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.838 7.838 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.818 9.145 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.890 8.229 4.495 1.00 0.00 H new ATOM 1372 N ASN A 86 187.098 9.908 7.215 1.00 0.00 N ATOM 1373 CA ASN A 86 187.687 11.222 7.445 1.00 0.00 C ATOM 1374 C ASN A 86 188.963 11.107 8.273 1.00 0.00 C ATOM 1375 O ASN A 86 190.022 11.587 7.869 1.00 0.00 O ATOM 1376 CB ASN A 86 186.684 12.136 8.152 1.00 0.00 C ATOM 1377 CG ASN A 86 185.982 13.079 7.193 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.628 13.786 6.418 1.00 0.00 O ATOM 1379 ND2 ASN A 86 184.655 13.091 7.240 1.00 0.00 N ATOM 0 H ASN A 86 186.150 9.802 7.576 1.00 0.00 H new ATOM 0 HA ASN A 86 187.942 11.655 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 86 185.941 11.526 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.202 12.718 8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.128 13.704 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.163 12.488 7.899 1.00 0.00 H new ATOM 1386 N LYS A 87 188.853 10.468 9.433 1.00 0.00 N ATOM 1387 CA LYS A 87 189.998 10.288 10.319 1.00 0.00 C ATOM 1388 C LYS A 87 191.125 9.549 9.603 1.00 0.00 C ATOM 1389 O LYS A 87 192.279 9.981 9.632 1.00 0.00 O ATOM 1390 CB LYS A 87 189.575 9.527 11.582 1.00 0.00 C ATOM 1391 CG LYS A 87 190.734 8.924 12.367 1.00 0.00 C ATOM 1392 CD LYS A 87 191.830 9.946 12.633 1.00 0.00 C ATOM 1393 CE LYS A 87 193.163 9.272 12.910 1.00 0.00 C ATOM 1394 NZ LYS A 87 193.321 8.919 14.348 1.00 0.00 N ATOM 0 H LYS A 87 187.983 10.066 9.782 1.00 0.00 H new ATOM 0 HA LYS A 87 190.368 11.271 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.024 10.205 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.889 8.729 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.366 8.531 13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 87 191.149 8.082 11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 87 191.928 10.609 11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.551 10.567 13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 87 193.246 8.370 12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 87 193.974 9.935 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 194.244 8.461 14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 193.268 9.782 14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 192.562 8.266 14.631 1.00 0.00 H new ATOM 1408 N LEU A 88 190.786 8.437 8.961 1.00 0.00 N ATOM 1409 CA LEU A 88 191.771 7.643 8.238 1.00 0.00 C ATOM 1410 C LEU A 88 192.299 8.395 7.016 1.00 0.00 C ATOM 1411 O LEU A 88 193.299 7.998 6.419 1.00 0.00 O ATOM 1412 CB LEU A 88 191.160 6.306 7.809 1.00 0.00 C ATOM 1413 CG LEU A 88 191.904 5.067 8.309 1.00 0.00 C ATOM 1414 CD1 LEU A 88 193.289 4.988 7.684 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.000 5.078 9.828 1.00 0.00 C ATOM 0 H LEU A 88 189.837 8.065 8.927 1.00 0.00 H new ATOM 0 HA LEU A 88 192.610 7.455 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.131 6.262 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.121 6.274 6.720 1.00 0.00 H new ATOM 0 HG LEU A 88 191.342 4.183 8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 88 193.804 4.100 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 88 193.196 4.931 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 88 193.861 5.876 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.532 4.189 10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.539 5.968 10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 88 190.998 5.085 10.256 1.00 0.00 H new