USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ -131:sc= 0.0382 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= -0.0707 (180deg=-0.428) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 171:sc= -0.572 (180deg=-0.619) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -3.98! C(o=-4!,f=-5!) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0766) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= 0.996 (180deg=0.269) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 47:sc= 1.18 USER MOD Single : A 52 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= -0.304 (180deg=-2.21!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0763) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.287 X(o=0.29,f=-0.033) USER MOD Single : A 91 SER OG : rot -51:sc= 0.106 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.821 9.917 -20.315 1.00 0.00 N ATOM 2 CA GLY A 1 -3.174 10.126 -19.779 1.00 0.00 C ATOM 3 C GLY A 1 -3.253 9.747 -18.308 1.00 0.00 C ATOM 4 O GLY A 1 -2.261 9.839 -17.578 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.516 10.768 -20.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.162 9.731 -19.532 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.826 9.104 -20.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.459 11.171 -19.903 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.888 9.531 -20.348 1.00 0.00 H new ATOM 8 N SER A 2 -4.428 9.322 -17.832 1.00 0.00 N ATOM 9 CA SER A 2 -4.591 8.822 -16.470 1.00 0.00 C ATOM 10 C SER A 2 -5.819 7.918 -16.390 1.00 0.00 C ATOM 11 O SER A 2 -6.747 8.075 -17.194 1.00 0.00 O ATOM 12 CB SER A 2 -4.754 10.025 -15.535 1.00 0.00 C ATOM 13 OG SER A 2 -4.417 9.690 -14.206 1.00 0.00 O ATOM 0 H SER A 2 -5.288 9.316 -18.381 1.00 0.00 H new ATOM 0 HA SER A 2 -3.719 8.238 -16.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.121 10.843 -15.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.784 10.381 -15.573 1.00 0.00 H new ATOM 0 HG SER A 2 -4.529 10.476 -13.632 1.00 0.00 H new ATOM 19 N SER A 3 -5.850 7.016 -15.406 1.00 0.00 N ATOM 20 CA SER A 3 -6.989 6.183 -15.034 1.00 0.00 C ATOM 21 C SER A 3 -6.683 5.487 -13.696 1.00 0.00 C ATOM 22 O SER A 3 -5.575 5.605 -13.156 1.00 0.00 O ATOM 23 CB SER A 3 -7.262 5.131 -16.129 1.00 0.00 C ATOM 24 OG SER A 3 -8.586 5.235 -16.620 1.00 0.00 O ATOM 0 H SER A 3 -5.036 6.840 -14.818 1.00 0.00 H new ATOM 0 HA SER A 3 -7.877 6.806 -14.929 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.556 5.264 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.098 4.132 -15.726 1.00 0.00 H new ATOM 0 HG SER A 3 -8.732 4.558 -17.314 1.00 0.00 H new ATOM 30 N GLY A 4 -7.657 4.718 -13.202 1.00 0.00 N ATOM 31 CA GLY A 4 -7.441 3.659 -12.228 1.00 0.00 C ATOM 32 C GLY A 4 -7.076 2.356 -12.935 1.00 0.00 C ATOM 33 O GLY A 4 -6.368 2.394 -13.939 1.00 0.00 O ATOM 0 H GLY A 4 -8.634 4.821 -13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.644 3.944 -11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.341 3.517 -11.630 1.00 0.00 H new ATOM 37 N SER A 5 -7.512 1.207 -12.421 1.00 0.00 N ATOM 38 CA SER A 5 -7.188 -0.119 -12.941 1.00 0.00 C ATOM 39 C SER A 5 -8.422 -1.023 -12.865 1.00 0.00 C ATOM 40 O SER A 5 -8.805 -1.577 -13.895 1.00 0.00 O ATOM 41 CB SER A 5 -5.952 -0.651 -12.194 1.00 0.00 C ATOM 42 OG SER A 5 -5.815 -2.063 -12.256 1.00 0.00 O ATOM 0 H SER A 5 -8.121 1.173 -11.603 1.00 0.00 H new ATOM 0 HA SER A 5 -6.922 -0.086 -13.997 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.058 -0.189 -12.613 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.010 -0.345 -11.149 1.00 0.00 H new ATOM 0 HG SER A 5 -5.012 -2.336 -11.765 1.00 0.00 H new ATOM 48 N SER A 6 -9.073 -1.119 -11.697 1.00 0.00 N ATOM 49 CA SER A 6 -10.242 -1.960 -11.429 1.00 0.00 C ATOM 50 C SER A 6 -9.977 -3.470 -11.564 1.00 0.00 C ATOM 51 O SER A 6 -8.933 -3.917 -12.044 1.00 0.00 O ATOM 52 CB SER A 6 -11.431 -1.514 -12.300 1.00 0.00 C ATOM 53 OG SER A 6 -11.907 -0.233 -11.927 1.00 0.00 O ATOM 0 H SER A 6 -8.783 -0.586 -10.877 1.00 0.00 H new ATOM 0 HA SER A 6 -10.491 -1.812 -10.378 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.128 -1.498 -13.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.238 -2.241 -12.212 1.00 0.00 H new ATOM 0 HG SER A 6 -12.660 0.017 -12.503 1.00 0.00 H new ATOM 59 N GLY A 7 -10.962 -4.262 -11.129 1.00 0.00 N ATOM 60 CA GLY A 7 -11.063 -5.694 -11.343 1.00 0.00 C ATOM 61 C GLY A 7 -10.156 -6.511 -10.432 1.00 0.00 C ATOM 62 O GLY A 7 -10.640 -7.279 -9.595 1.00 0.00 O ATOM 0 H GLY A 7 -11.747 -3.894 -10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.096 -6.005 -11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.817 -5.916 -12.381 1.00 0.00 H new ATOM 66 N GLU A 8 -8.847 -6.384 -10.629 1.00 0.00 N ATOM 67 CA GLU A 8 -7.788 -7.175 -10.012 1.00 0.00 C ATOM 68 C GLU A 8 -6.613 -6.221 -9.724 1.00 0.00 C ATOM 69 O GLU A 8 -6.842 -5.039 -9.450 1.00 0.00 O ATOM 70 CB GLU A 8 -7.420 -8.360 -10.937 1.00 0.00 C ATOM 71 CG GLU A 8 -8.560 -9.382 -11.114 1.00 0.00 C ATOM 72 CD GLU A 8 -8.184 -10.575 -11.997 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.349 -10.430 -12.916 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.780 -11.668 -11.833 1.00 0.00 O ATOM 0 H GLU A 8 -8.474 -5.680 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.099 -7.623 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.136 -7.972 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.546 -8.870 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.863 -9.748 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.424 -8.878 -11.547 1.00 0.00 H new ATOM 81 N TYR A 9 -5.370 -6.714 -9.764 1.00 0.00 N ATOM 82 CA TYR A 9 -4.137 -5.937 -9.675 1.00 0.00 C ATOM 83 C TYR A 9 -3.178 -6.456 -10.738 1.00 0.00 C ATOM 84 O TYR A 9 -3.211 -7.656 -11.015 1.00 0.00 O ATOM 85 CB TYR A 9 -3.484 -6.114 -8.300 1.00 0.00 C ATOM 86 CG TYR A 9 -4.327 -5.650 -7.136 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.606 -4.279 -6.980 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.861 -6.593 -6.237 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.431 -3.847 -5.929 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.693 -6.165 -5.190 1.00 0.00 C ATOM 91 CZ TYR A 9 -5.969 -4.793 -5.031 1.00 0.00 C ATOM 92 OH TYR A 9 -6.811 -4.396 -4.050 1.00 0.00 O ATOM 0 H TYR A 9 -5.192 -7.713 -9.864 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.363 -4.881 -9.823 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.244 -7.168 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.541 -5.568 -8.288 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.186 -3.560 -7.668 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.631 -7.642 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.652 -2.797 -5.809 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.120 -6.886 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.089 -5.174 -3.523 1.00 0.00 H new ATOM 102 N LYS A 10 -2.318 -5.595 -11.288 1.00 0.00 N ATOM 103 CA LYS A 10 -1.227 -5.935 -12.206 1.00 0.00 C ATOM 104 C LYS A 10 -0.014 -5.053 -11.902 1.00 0.00 C ATOM 105 O LYS A 10 -0.107 -4.160 -11.058 1.00 0.00 O ATOM 106 CB LYS A 10 -1.689 -5.787 -13.669 1.00 0.00 C ATOM 107 CG LYS A 10 -2.855 -6.743 -13.946 1.00 0.00 C ATOM 108 CD LYS A 10 -3.115 -7.013 -15.427 1.00 0.00 C ATOM 109 CE LYS A 10 -4.191 -8.099 -15.569 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.719 -9.413 -15.078 1.00 0.00 N ATOM 0 H LYS A 10 -2.365 -4.594 -11.096 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.938 -6.976 -12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.997 -4.759 -13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.861 -6.003 -14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.657 -7.691 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.760 -6.330 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.439 -6.098 -15.923 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.195 -7.332 -15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.081 -7.803 -15.014 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.483 -8.186 -16.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.297 -10.169 -15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.724 -9.548 -15.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.804 -9.447 -14.042 1.00 0.00 H new ATOM 124 N ALA A 11 1.123 -5.319 -12.549 1.00 0.00 N ATOM 125 CA ALA A 11 2.389 -4.660 -12.259 1.00 0.00 C ATOM 126 C ALA A 11 2.274 -3.149 -12.398 1.00 0.00 C ATOM 127 O ALA A 11 1.507 -2.646 -13.220 1.00 0.00 O ATOM 128 CB ALA A 11 3.483 -5.174 -13.194 1.00 0.00 C ATOM 0 H ALA A 11 1.186 -6.008 -13.298 1.00 0.00 H new ATOM 0 HA ALA A 11 2.651 -4.893 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.423 -4.672 -12.965 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.603 -6.249 -13.058 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.204 -4.968 -14.228 1.00 0.00 H new ATOM 134 N GLY A 12 3.102 -2.439 -11.637 1.00 0.00 N ATOM 135 CA GLY A 12 3.180 -0.988 -11.635 1.00 0.00 C ATOM 136 C GLY A 12 2.258 -0.356 -10.603 1.00 0.00 C ATOM 137 O GLY A 12 2.511 0.766 -10.162 1.00 0.00 O ATOM 0 H GLY A 12 3.756 -2.874 -10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.207 -0.683 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.923 -0.612 -12.625 1.00 0.00 H new ATOM 141 N ASP A 13 1.212 -1.059 -10.169 1.00 0.00 N ATOM 142 CA ASP A 13 0.263 -0.503 -9.214 1.00 0.00 C ATOM 143 C ASP A 13 0.823 -0.515 -7.795 1.00 0.00 C ATOM 144 O ASP A 13 1.843 -1.149 -7.485 1.00 0.00 O ATOM 145 CB ASP A 13 -1.088 -1.234 -9.286 1.00 0.00 C ATOM 146 CG ASP A 13 -2.053 -0.466 -10.187 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.675 -0.043 -11.299 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.218 -0.275 -9.769 1.00 0.00 O ATOM 0 H ASP A 13 1.003 -2.013 -10.465 1.00 0.00 H new ATOM 0 HA ASP A 13 0.094 0.538 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.944 -2.243 -9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.511 -1.332 -8.286 1.00 0.00 H new ATOM 153 N LEU A 14 0.118 0.203 -6.924 1.00 0.00 N ATOM 154 CA LEU A 14 0.390 0.347 -5.507 1.00 0.00 C ATOM 155 C LEU A 14 -0.802 -0.211 -4.748 1.00 0.00 C ATOM 156 O LEU A 14 -1.931 -0.154 -5.254 1.00 0.00 O ATOM 157 CB LEU A 14 0.627 1.837 -5.192 1.00 0.00 C ATOM 158 CG LEU A 14 1.890 2.400 -5.866 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.092 3.872 -5.505 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.107 1.564 -5.472 1.00 0.00 C ATOM 0 H LEU A 14 -0.707 0.729 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 14 1.284 -0.200 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.239 2.414 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.710 1.966 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 14 1.765 2.342 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.991 4.246 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.230 4.450 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.199 3.970 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.998 1.969 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.234 1.594 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.959 0.533 -5.792 1.00 0.00 H new ATOM 172 N VAL A 15 -0.568 -0.728 -3.542 1.00 0.00 N ATOM 173 CA VAL A 15 -1.566 -1.400 -2.716 1.00 0.00 C ATOM 174 C VAL A 15 -1.209 -1.250 -1.230 1.00 0.00 C ATOM 175 O VAL A 15 -0.155 -0.717 -0.875 1.00 0.00 O ATOM 176 CB VAL A 15 -1.672 -2.889 -3.137 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.247 -3.014 -4.550 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.343 -3.658 -3.073 1.00 0.00 C ATOM 0 H VAL A 15 0.351 -0.688 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.542 -0.938 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.341 -3.342 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.312 -4.067 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.242 -2.569 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.597 -2.495 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.505 -4.690 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.381 -3.189 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.038 -3.641 -2.052 1.00 0.00 H new ATOM 188 N PHE A 16 -2.066 -1.770 -0.354 1.00 0.00 N ATOM 189 CA PHE A 16 -1.719 -2.108 1.017 1.00 0.00 C ATOM 190 C PHE A 16 -1.941 -3.611 1.174 1.00 0.00 C ATOM 191 O PHE A 16 -3.027 -4.106 0.873 1.00 0.00 O ATOM 192 CB PHE A 16 -2.564 -1.303 2.011 1.00 0.00 C ATOM 193 CG PHE A 16 -2.345 0.196 1.940 1.00 0.00 C ATOM 194 CD1 PHE A 16 -3.108 0.980 1.052 1.00 0.00 C ATOM 195 CD2 PHE A 16 -1.362 0.806 2.744 1.00 0.00 C ATOM 196 CE1 PHE A 16 -2.878 2.362 0.959 1.00 0.00 C ATOM 197 CE2 PHE A 16 -1.128 2.188 2.645 1.00 0.00 C ATOM 198 CZ PHE A 16 -1.881 2.966 1.747 1.00 0.00 C ATOM 0 H PHE A 16 -3.039 -1.971 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.680 -1.856 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.618 -1.514 1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.340 -1.644 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.870 0.518 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.787 0.210 3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.467 2.962 0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.370 2.653 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.694 4.026 1.662 1.00 0.00 H new ATOM 208 N ALA A 17 -0.934 -4.341 1.651 1.00 0.00 N ATOM 209 CA ALA A 17 -1.024 -5.760 1.971 1.00 0.00 C ATOM 210 C ALA A 17 -1.363 -5.909 3.455 1.00 0.00 C ATOM 211 O ALA A 17 -0.799 -5.202 4.280 1.00 0.00 O ATOM 212 CB ALA A 17 0.320 -6.416 1.657 1.00 0.00 C ATOM 0 H ALA A 17 -0.009 -3.949 1.829 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.803 -6.244 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.269 -7.479 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.549 -6.288 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.102 -5.949 2.256 1.00 0.00 H new ATOM 218 N LYS A 18 -2.273 -6.828 3.826 1.00 0.00 N ATOM 219 CA LYS A 18 -2.602 -7.062 5.232 1.00 0.00 C ATOM 220 C LYS A 18 -1.995 -8.409 5.588 1.00 0.00 C ATOM 221 O LYS A 18 -2.570 -9.444 5.259 1.00 0.00 O ATOM 222 CB LYS A 18 -4.142 -7.051 5.385 1.00 0.00 C ATOM 223 CG LYS A 18 -4.656 -7.170 6.829 1.00 0.00 C ATOM 224 CD LYS A 18 -4.199 -5.999 7.715 1.00 0.00 C ATOM 225 CE LYS A 18 -5.308 -5.452 8.624 1.00 0.00 C ATOM 226 NZ LYS A 18 -5.708 -6.346 9.722 1.00 0.00 N ATOM 0 H LYS A 18 -2.788 -7.415 3.170 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.207 -6.297 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.528 -6.127 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.555 -7.873 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.745 -7.212 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.304 -8.107 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.362 -6.325 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.831 -5.194 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.975 -4.505 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.185 -5.236 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.460 -5.894 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.060 -7.242 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.888 -6.534 10.333 1.00 0.00 H new ATOM 240 N MET A 19 -0.889 -8.399 6.333 1.00 0.00 N ATOM 241 CA MET A 19 -0.265 -9.626 6.811 1.00 0.00 C ATOM 242 C MET A 19 -1.062 -10.177 7.993 1.00 0.00 C ATOM 243 O MET A 19 -1.906 -9.476 8.565 1.00 0.00 O ATOM 244 CB MET A 19 1.194 -9.352 7.197 1.00 0.00 C ATOM 245 CG MET A 19 2.195 -10.057 6.285 1.00 0.00 C ATOM 246 SD MET A 19 3.886 -10.013 6.938 1.00 0.00 S ATOM 247 CE MET A 19 4.257 -8.244 6.816 1.00 0.00 C ATOM 0 H MET A 19 -0.407 -7.547 6.618 1.00 0.00 H new ATOM 0 HA MET A 19 -0.267 -10.376 6.020 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.377 -8.278 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.359 -9.674 8.225 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.889 -11.094 6.149 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.177 -9.588 5.301 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.197 -8.033 7.325 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.341 -7.961 5.767 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.456 -7.671 7.283 1.00 0.00 H new ATOM 257 N LYS A 20 -0.804 -11.426 8.385 1.00 0.00 N ATOM 258 CA LYS A 20 -1.545 -12.108 9.444 1.00 0.00 C ATOM 259 C LYS A 20 -1.034 -11.731 10.841 1.00 0.00 C ATOM 260 O LYS A 20 -0.619 -12.588 11.621 1.00 0.00 O ATOM 261 CB LYS A 20 -1.585 -13.615 9.123 1.00 0.00 C ATOM 262 CG LYS A 20 -2.724 -14.327 9.864 1.00 0.00 C ATOM 263 CD LYS A 20 -2.823 -15.808 9.480 1.00 0.00 C ATOM 264 CE LYS A 20 -3.934 -16.480 10.298 1.00 0.00 C ATOM 265 NZ LYS A 20 -3.948 -17.942 10.108 1.00 0.00 N ATOM 0 H LYS A 20 -0.067 -11.997 7.971 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.581 -11.770 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.708 -13.754 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.633 -14.070 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.566 -14.241 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.668 -13.831 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.033 -15.904 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.871 -16.306 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.795 -16.252 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.900 -16.067 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.712 -18.359 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.106 -18.160 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.036 -18.340 10.409 1.00 0.00 H new ATOM 279 N GLY A 21 -1.068 -10.439 11.160 1.00 0.00 N ATOM 280 CA GLY A 21 -0.782 -9.886 12.476 1.00 0.00 C ATOM 281 C GLY A 21 -0.407 -8.417 12.377 1.00 0.00 C ATOM 282 O GLY A 21 -0.953 -7.574 13.093 1.00 0.00 O ATOM 0 H GLY A 21 -1.306 -9.720 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.654 -10.000 13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.032 -10.443 12.940 1.00 0.00 H new ATOM 286 N TYR A 22 0.480 -8.118 11.426 1.00 0.00 N ATOM 287 CA TYR A 22 0.829 -6.761 11.011 1.00 0.00 C ATOM 288 C TYR A 22 -0.413 -6.030 10.483 1.00 0.00 C ATOM 289 O TYR A 22 -1.401 -6.669 10.104 1.00 0.00 O ATOM 290 CB TYR A 22 1.919 -6.846 9.932 1.00 0.00 C ATOM 291 CG TYR A 22 3.303 -7.230 10.427 1.00 0.00 C ATOM 292 CD1 TYR A 22 4.120 -6.265 11.043 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.797 -8.533 10.230 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.426 -6.598 11.455 1.00 0.00 C ATOM 295 CE2 TYR A 22 5.102 -8.868 10.625 1.00 0.00 C ATOM 296 CZ TYR A 22 5.924 -7.906 11.249 1.00 0.00 C ATOM 297 OH TYR A 22 7.192 -8.219 11.638 1.00 0.00 O ATOM 0 H TYR A 22 0.989 -8.835 10.909 1.00 0.00 H new ATOM 0 HA TYR A 22 1.207 -6.194 11.862 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.607 -7.572 9.182 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.986 -5.880 9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.745 -5.265 11.201 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.167 -9.281 9.771 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.048 -5.853 11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.478 -9.865 10.451 1.00 0.00 H new ATOM 0 HH TYR A 22 7.377 -9.158 11.426 1.00 0.00 H new ATOM 307 N PRO A 23 -0.371 -4.690 10.464 1.00 0.00 N ATOM 308 CA PRO A 23 -1.426 -3.863 9.906 1.00 0.00 C ATOM 309 C PRO A 23 -1.392 -3.894 8.375 1.00 0.00 C ATOM 310 O PRO A 23 -0.575 -4.578 7.758 1.00 0.00 O ATOM 311 CB PRO A 23 -1.154 -2.459 10.465 1.00 0.00 C ATOM 312 CG PRO A 23 0.357 -2.437 10.665 1.00 0.00 C ATOM 313 CD PRO A 23 0.730 -3.874 10.949 1.00 0.00 C ATOM 0 HA PRO A 23 -2.422 -4.212 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.478 -1.682 9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.685 -2.291 11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.868 -2.064 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.637 -1.785 11.492 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.660 -4.140 10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.888 -4.030 12.016 1.00 0.00 H new ATOM 321 N HIS A 24 -2.279 -3.101 7.781 1.00 0.00 N ATOM 322 CA HIS A 24 -2.250 -2.691 6.389 1.00 0.00 C ATOM 323 C HIS A 24 -0.881 -2.045 6.130 1.00 0.00 C ATOM 324 O HIS A 24 -0.590 -0.971 6.664 1.00 0.00 O ATOM 325 CB HIS A 24 -3.422 -1.717 6.153 1.00 0.00 C ATOM 326 CG HIS A 24 -4.740 -2.190 6.730 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.277 -1.832 7.956 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.616 -3.054 6.128 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.451 -2.470 8.085 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.689 -3.240 7.008 1.00 0.00 N ATOM 0 H HIS A 24 -3.075 -2.710 8.286 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.371 -3.525 5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.172 -0.750 6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.541 -1.561 5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.500 -3.508 5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.112 -2.378 8.934 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.497 -3.844 6.861 1.00 0.00 H new ATOM 338 N TRP A 25 0.004 -2.730 5.407 1.00 0.00 N ATOM 339 CA TRP A 25 1.369 -2.301 5.135 1.00 0.00 C ATOM 340 C TRP A 25 1.442 -1.843 3.678 1.00 0.00 C ATOM 341 O TRP A 25 0.969 -2.577 2.811 1.00 0.00 O ATOM 342 CB TRP A 25 2.357 -3.433 5.458 1.00 0.00 C ATOM 343 CG TRP A 25 3.776 -2.999 5.710 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.631 -2.528 4.774 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.530 -2.988 6.965 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.845 -2.221 5.352 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.834 -2.465 6.708 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.237 -3.353 8.301 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.782 -2.288 7.726 1.00 0.00 C ATOM 350 CZ3 TRP A 25 5.190 -3.201 9.329 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.458 -2.663 9.040 1.00 0.00 C ATOM 0 H TRP A 25 -0.221 -3.629 4.981 1.00 0.00 H new ATOM 0 HA TRP A 25 1.652 -1.463 5.772 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.997 -3.967 6.337 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.353 -4.143 4.631 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.397 -2.410 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.650 -1.859 4.840 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.263 -3.756 8.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.751 -1.868 7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.947 -3.498 10.339 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.183 -2.538 9.830 1.00 0.00 H new ATOM 362 N PRO A 26 1.961 -0.638 3.380 1.00 0.00 N ATOM 363 CA PRO A 26 2.059 -0.154 2.010 1.00 0.00 C ATOM 364 C PRO A 26 2.978 -1.073 1.212 1.00 0.00 C ATOM 365 O PRO A 26 4.081 -1.399 1.652 1.00 0.00 O ATOM 366 CB PRO A 26 2.589 1.276 2.104 1.00 0.00 C ATOM 367 CG PRO A 26 3.300 1.329 3.448 1.00 0.00 C ATOM 368 CD PRO A 26 2.533 0.327 4.304 1.00 0.00 C ATOM 0 HA PRO A 26 1.101 -0.155 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.271 1.501 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.779 2.004 2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.351 1.055 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.268 2.330 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.195 -0.162 5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.753 0.824 4.881 1.00 0.00 H new ATOM 376 N ALA A 27 2.519 -1.520 0.051 1.00 0.00 N ATOM 377 CA ALA A 27 3.250 -2.451 -0.781 1.00 0.00 C ATOM 378 C ALA A 27 3.007 -2.099 -2.243 1.00 0.00 C ATOM 379 O ALA A 27 2.102 -1.326 -2.573 1.00 0.00 O ATOM 380 CB ALA A 27 2.803 -3.877 -0.433 1.00 0.00 C ATOM 0 H ALA A 27 1.619 -1.240 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 27 4.324 -2.389 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.346 -4.590 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.011 -4.077 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.733 -3.978 -0.616 1.00 0.00 H new ATOM 386 N ARG A 28 3.795 -2.682 -3.139 1.00 0.00 N ATOM 387 CA ARG A 28 3.638 -2.464 -4.570 1.00 0.00 C ATOM 388 C ARG A 28 3.441 -3.799 -5.267 1.00 0.00 C ATOM 389 O ARG A 28 3.891 -4.832 -4.760 1.00 0.00 O ATOM 390 CB ARG A 28 4.826 -1.633 -5.070 1.00 0.00 C ATOM 391 CG ARG A 28 6.131 -2.406 -5.293 1.00 0.00 C ATOM 392 CD ARG A 28 7.206 -1.543 -5.963 1.00 0.00 C ATOM 393 NE ARG A 28 7.297 -1.759 -7.419 1.00 0.00 N ATOM 394 CZ ARG A 28 8.425 -1.595 -8.126 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.494 -1.012 -7.591 1.00 0.00 N ATOM 396 NH2 ARG A 28 8.520 -2.012 -9.382 1.00 0.00 N ATOM 0 H ARG A 28 4.556 -3.315 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 28 2.744 -1.886 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.543 -1.156 -6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.016 -0.835 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.504 -2.770 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.932 -3.281 -5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.992 -0.492 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.173 -1.760 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 28 6.455 -2.049 -7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.465 -0.681 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.343 -0.896 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.725 -2.468 -9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.388 -1.876 -9.900 1.00 0.00 H new ATOM 410 N ILE A 29 2.763 -3.772 -6.413 1.00 0.00 N ATOM 411 CA ILE A 29 2.688 -4.916 -7.308 1.00 0.00 C ATOM 412 C ILE A 29 3.949 -4.832 -8.160 1.00 0.00 C ATOM 413 O ILE A 29 4.076 -3.919 -8.987 1.00 0.00 O ATOM 414 CB ILE A 29 1.413 -4.899 -8.179 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.127 -4.559 -7.401 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.265 -6.257 -8.891 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.256 -5.563 -6.314 1.00 0.00 C ATOM 0 H ILE A 29 2.251 -2.954 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 29 2.630 -5.851 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 29 1.538 -4.095 -8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.247 -3.578 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.698 -4.481 -8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.366 -6.249 -9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.136 -6.434 -9.522 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.189 -7.051 -8.148 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.173 -5.237 -5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.414 -6.543 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.546 -5.626 -5.578 1.00 0.00 H new ATOM 429 N ASP A 30 4.918 -5.697 -7.881 1.00 0.00 N ATOM 430 CA ASP A 30 6.092 -5.842 -8.727 1.00 0.00 C ATOM 431 C ASP A 30 5.697 -6.675 -9.959 1.00 0.00 C ATOM 432 O ASP A 30 4.525 -7.021 -10.158 1.00 0.00 O ATOM 433 CB ASP A 30 7.240 -6.458 -7.904 1.00 0.00 C ATOM 434 CG ASP A 30 8.634 -6.117 -8.442 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.788 -5.755 -9.631 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.599 -6.143 -7.646 1.00 0.00 O ATOM 0 H ASP A 30 4.911 -6.312 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 30 6.457 -4.880 -9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.163 -6.112 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.122 -7.541 -7.886 1.00 0.00 H new ATOM 441 N GLU A 31 6.666 -7.043 -10.785 1.00 0.00 N ATOM 442 CA GLU A 31 6.530 -8.071 -11.791 1.00 0.00 C ATOM 443 C GLU A 31 7.652 -9.092 -11.613 1.00 0.00 C ATOM 444 O GLU A 31 8.207 -9.239 -10.523 1.00 0.00 O ATOM 445 CB GLU A 31 6.442 -7.461 -13.198 1.00 0.00 C ATOM 446 CG GLU A 31 5.474 -8.329 -14.009 1.00 0.00 C ATOM 447 CD GLU A 31 5.455 -8.006 -15.492 1.00 0.00 C ATOM 448 OE1 GLU A 31 4.972 -6.917 -15.883 1.00 0.00 O ATOM 449 OE2 GLU A 31 5.912 -8.870 -16.273 1.00 0.00 O ATOM 0 H GLU A 31 7.593 -6.618 -10.768 1.00 0.00 H new ATOM 0 HA GLU A 31 5.590 -8.608 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.087 -6.432 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.425 -7.437 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.744 -9.377 -13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.468 -8.207 -13.607 1.00 0.00 H new ATOM 456 N LEU A 32 7.900 -9.875 -12.656 1.00 0.00 N ATOM 457 CA LEU A 32 8.738 -11.056 -12.683 1.00 0.00 C ATOM 458 C LEU A 32 9.528 -11.007 -13.991 1.00 0.00 C ATOM 459 O LEU A 32 8.985 -10.520 -14.994 1.00 0.00 O ATOM 460 CB LEU A 32 7.837 -12.304 -12.685 1.00 0.00 C ATOM 461 CG LEU A 32 6.985 -12.459 -11.408 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.555 -12.876 -11.764 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.622 -13.444 -10.427 1.00 0.00 C ATOM 0 H LEU A 32 7.488 -9.682 -13.569 1.00 0.00 H new ATOM 0 HA LEU A 32 9.404 -11.094 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.175 -12.261 -13.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.460 -13.190 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 32 6.943 -11.490 -10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.969 -12.981 -10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.102 -12.116 -12.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.575 -13.829 -12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.996 -13.529 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.714 -14.421 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.610 -13.085 -10.141 1.00 0.00 H new ATOM 475 N PRO A 33 10.760 -11.534 -14.012 1.00 0.00 N ATOM 476 CA PRO A 33 11.479 -11.810 -15.241 1.00 0.00 C ATOM 477 C PRO A 33 10.930 -13.094 -15.882 1.00 0.00 C ATOM 478 O PRO A 33 10.025 -13.744 -15.347 1.00 0.00 O ATOM 479 CB PRO A 33 12.923 -11.982 -14.782 1.00 0.00 C ATOM 480 CG PRO A 33 12.766 -12.660 -13.427 1.00 0.00 C ATOM 481 CD PRO A 33 11.517 -11.998 -12.858 1.00 0.00 C ATOM 0 HA PRO A 33 11.382 -11.029 -15.995 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.498 -12.594 -15.477 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.438 -11.025 -14.699 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.642 -13.738 -13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.636 -12.497 -12.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.935 -12.703 -12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.778 -11.168 -12.201 1.00 0.00 H new ATOM 489 N GLU A 34 11.476 -13.497 -17.028 1.00 0.00 N ATOM 490 CA GLU A 34 11.246 -14.844 -17.542 1.00 0.00 C ATOM 491 C GLU A 34 12.040 -15.862 -16.722 1.00 0.00 C ATOM 492 O GLU A 34 13.060 -15.522 -16.112 1.00 0.00 O ATOM 493 CB GLU A 34 11.656 -14.928 -19.021 1.00 0.00 C ATOM 494 CG GLU A 34 10.686 -14.222 -19.976 1.00 0.00 C ATOM 495 CD GLU A 34 9.307 -14.877 -19.974 1.00 0.00 C ATOM 496 OE1 GLU A 34 8.519 -14.573 -19.049 1.00 0.00 O ATOM 497 OE2 GLU A 34 9.037 -15.729 -20.849 1.00 0.00 O ATOM 0 H GLU A 34 12.076 -12.915 -17.613 1.00 0.00 H new ATOM 0 HA GLU A 34 10.183 -15.072 -17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.648 -14.492 -19.138 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.733 -15.977 -19.307 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.591 -13.175 -19.688 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.095 -14.239 -20.986 1.00 0.00 H new ATOM 504 N GLY A 35 11.599 -17.124 -16.783 1.00 0.00 N ATOM 505 CA GLY A 35 12.322 -18.297 -16.316 1.00 0.00 C ATOM 506 C GLY A 35 12.872 -18.131 -14.904 1.00 0.00 C ATOM 507 O GLY A 35 14.089 -18.211 -14.720 1.00 0.00 O ATOM 0 H GLY A 35 10.688 -17.358 -17.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.658 -19.161 -16.343 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.145 -18.506 -16.999 1.00 0.00 H new ATOM 511 N ALA A 36 11.990 -17.927 -13.922 1.00 0.00 N ATOM 512 CA ALA A 36 12.330 -17.729 -12.517 1.00 0.00 C ATOM 513 C ALA A 36 11.364 -18.499 -11.612 1.00 0.00 C ATOM 514 O ALA A 36 10.548 -19.299 -12.084 1.00 0.00 O ATOM 515 CB ALA A 36 12.308 -16.225 -12.213 1.00 0.00 C ATOM 0 H ALA A 36 10.985 -17.895 -14.093 1.00 0.00 H new ATOM 0 HA ALA A 36 13.329 -18.118 -12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.560 -16.062 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.035 -15.715 -12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.313 -15.828 -12.412 1.00 0.00 H new ATOM 521 N VAL A 37 11.459 -18.266 -10.301 1.00 0.00 N ATOM 522 CA VAL A 37 10.343 -18.477 -9.383 1.00 0.00 C ATOM 523 C VAL A 37 9.180 -17.612 -9.874 1.00 0.00 C ATOM 524 O VAL A 37 9.404 -16.508 -10.368 1.00 0.00 O ATOM 525 CB VAL A 37 10.763 -18.090 -7.950 1.00 0.00 C ATOM 526 CG1 VAL A 37 9.643 -18.291 -6.920 1.00 0.00 C ATOM 527 CG2 VAL A 37 11.993 -18.900 -7.516 1.00 0.00 C ATOM 0 H VAL A 37 12.309 -17.927 -9.850 1.00 0.00 H new ATOM 0 HA VAL A 37 10.042 -19.524 -9.361 1.00 0.00 H new ATOM 0 HB VAL A 37 10.998 -17.026 -7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.001 -18.001 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.785 -17.675 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.346 -19.340 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.277 -18.615 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.756 -19.964 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.821 -18.697 -8.195 1.00 0.00 H new ATOM 537 N LYS A 38 7.948 -18.099 -9.734 1.00 0.00 N ATOM 538 CA LYS A 38 6.754 -17.399 -10.196 1.00 0.00 C ATOM 539 C LYS A 38 5.620 -17.588 -9.185 1.00 0.00 C ATOM 540 O LYS A 38 5.692 -18.527 -8.379 1.00 0.00 O ATOM 541 CB LYS A 38 6.435 -17.856 -11.632 1.00 0.00 C ATOM 542 CG LYS A 38 6.118 -19.350 -11.770 1.00 0.00 C ATOM 543 CD LYS A 38 5.940 -19.691 -13.255 1.00 0.00 C ATOM 544 CE LYS A 38 5.631 -21.173 -13.470 1.00 0.00 C ATOM 545 NZ LYS A 38 4.353 -21.573 -12.853 1.00 0.00 N ATOM 0 H LYS A 38 7.751 -18.997 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 38 6.909 -16.321 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.585 -17.282 -12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.284 -17.617 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.923 -19.946 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.211 -19.595 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.133 -19.088 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.847 -19.427 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.598 -21.384 -14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.438 -21.775 -13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.120 -22.546 -13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.438 -21.526 -11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.599 -20.930 -13.168 1.00 0.00 H new ATOM 559 N PRO A 39 4.614 -16.698 -9.170 1.00 0.00 N ATOM 560 CA PRO A 39 3.579 -16.704 -8.152 1.00 0.00 C ATOM 561 C PRO A 39 2.631 -17.873 -8.345 1.00 0.00 C ATOM 562 O PRO A 39 2.441 -18.347 -9.470 1.00 0.00 O ATOM 563 CB PRO A 39 2.844 -15.363 -8.292 1.00 0.00 C ATOM 564 CG PRO A 39 3.047 -15.007 -9.759 1.00 0.00 C ATOM 565 CD PRO A 39 4.442 -15.548 -10.041 1.00 0.00 C ATOM 0 HA PRO A 39 4.003 -16.820 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.787 -15.455 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.262 -14.603 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.295 -15.472 -10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.987 -13.932 -9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.545 -15.834 -11.088 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.201 -14.791 -9.841 1.00 0.00 H new ATOM 573 N PRO A 40 1.985 -18.316 -7.260 1.00 0.00 N ATOM 574 CA PRO A 40 0.932 -19.290 -7.354 1.00 0.00 C ATOM 575 C PRO A 40 -0.316 -18.673 -7.955 1.00 0.00 C ATOM 576 O PRO A 40 -0.399 -17.462 -8.185 1.00 0.00 O ATOM 577 CB PRO A 40 0.722 -19.798 -5.926 1.00 0.00 C ATOM 578 CG PRO A 40 1.055 -18.570 -5.089 1.00 0.00 C ATOM 579 CD PRO A 40 2.156 -17.878 -5.884 1.00 0.00 C ATOM 0 HA PRO A 40 1.183 -20.118 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.301 -20.136 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.377 -20.638 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.186 -17.924 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.395 -18.846 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.073 -16.794 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.142 -18.150 -5.506 1.00 0.00 H new ATOM 587 N ALA A 41 -1.300 -19.532 -8.204 1.00 0.00 N ATOM 588 CA ALA A 41 -2.541 -19.097 -8.746 1.00 0.00 C ATOM 589 C ALA A 41 -3.193 -18.154 -7.760 1.00 0.00 C ATOM 590 O ALA A 41 -3.053 -18.274 -6.542 1.00 0.00 O ATOM 591 CB ALA A 41 -3.454 -20.282 -9.053 1.00 0.00 C ATOM 0 H ALA A 41 -1.241 -20.535 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.364 -18.578 -9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.395 -19.919 -9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.969 -20.937 -9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.651 -20.837 -8.136 1.00 0.00 H new ATOM 597 N ASN A 42 -3.950 -17.250 -8.344 1.00 0.00 N ATOM 598 CA ASN A 42 -4.767 -16.228 -7.704 1.00 0.00 C ATOM 599 C ASN A 42 -3.945 -15.235 -6.879 1.00 0.00 C ATOM 600 O ASN A 42 -4.523 -14.535 -6.048 1.00 0.00 O ATOM 601 CB ASN A 42 -5.891 -16.872 -6.873 1.00 0.00 C ATOM 602 CG ASN A 42 -6.816 -17.763 -7.678 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.902 -18.960 -7.446 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.528 -17.232 -8.659 1.00 0.00 N ATOM 0 H ASN A 42 -4.019 -17.203 -9.361 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.225 -15.641 -8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.445 -17.459 -6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.479 -16.084 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.145 -17.821 -9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.460 -16.234 -8.856 1.00 0.00 H new ATOM 611 N LYS A 43 -2.623 -15.142 -7.078 1.00 0.00 N ATOM 612 CA LYS A 43 -1.742 -14.258 -6.318 1.00 0.00 C ATOM 613 C LYS A 43 -0.854 -13.421 -7.237 1.00 0.00 C ATOM 614 O LYS A 43 -0.754 -13.712 -8.428 1.00 0.00 O ATOM 615 CB LYS A 43 -0.885 -15.073 -5.340 1.00 0.00 C ATOM 616 CG LYS A 43 -1.675 -15.903 -4.308 1.00 0.00 C ATOM 617 CD LYS A 43 -0.804 -16.067 -3.061 1.00 0.00 C ATOM 618 CE LYS A 43 -1.393 -16.891 -1.919 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.441 -16.933 -0.785 1.00 0.00 N ATOM 0 H LYS A 43 -2.132 -15.690 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.370 -13.570 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.249 -15.747 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.225 -14.390 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.611 -15.405 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.934 -16.878 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.138 -16.526 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.567 -15.074 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.339 -16.456 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.608 -17.903 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.968 -16.914 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.123 -17.805 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.191 -16.109 -0.832 1.00 0.00 H new ATOM 633 N TYR A 44 -0.189 -12.418 -6.661 1.00 0.00 N ATOM 634 CA TYR A 44 0.724 -11.473 -7.301 1.00 0.00 C ATOM 635 C TYR A 44 2.027 -11.374 -6.491 1.00 0.00 C ATOM 636 O TYR A 44 1.995 -11.661 -5.292 1.00 0.00 O ATOM 637 CB TYR A 44 0.044 -10.101 -7.408 1.00 0.00 C ATOM 638 CG TYR A 44 -1.286 -10.173 -8.121 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.312 -10.379 -9.512 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.482 -10.158 -7.379 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.531 -10.611 -10.166 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.706 -10.382 -8.032 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.735 -10.618 -9.428 1.00 0.00 C ATOM 644 OH TYR A 44 -4.905 -10.913 -10.062 1.00 0.00 O ATOM 0 H TYR A 44 -0.282 -12.233 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 44 0.971 -11.822 -8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.104 -9.693 -6.408 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.701 -9.413 -7.939 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.392 -10.359 -10.077 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.459 -9.976 -6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.549 -10.784 -11.232 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.627 -10.374 -7.468 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.644 -10.878 -9.419 1.00 0.00 H new ATOM 654 N PRO A 45 3.169 -11.025 -7.112 1.00 0.00 N ATOM 655 CA PRO A 45 4.409 -10.679 -6.423 1.00 0.00 C ATOM 656 C PRO A 45 4.247 -9.344 -5.689 1.00 0.00 C ATOM 657 O PRO A 45 4.227 -8.280 -6.313 1.00 0.00 O ATOM 658 CB PRO A 45 5.485 -10.625 -7.511 1.00 0.00 C ATOM 659 CG PRO A 45 4.707 -10.198 -8.751 1.00 0.00 C ATOM 660 CD PRO A 45 3.330 -10.826 -8.544 1.00 0.00 C ATOM 0 HA PRO A 45 4.683 -11.406 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.272 -9.912 -7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.965 -11.594 -7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.645 -9.113 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.179 -10.559 -9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.546 -10.177 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.253 -11.774 -9.077 1.00 0.00 H new ATOM 668 N ILE A 46 4.100 -9.399 -4.366 1.00 0.00 N ATOM 669 CA ILE A 46 3.981 -8.210 -3.536 1.00 0.00 C ATOM 670 C ILE A 46 5.371 -7.908 -2.963 1.00 0.00 C ATOM 671 O ILE A 46 6.112 -8.824 -2.584 1.00 0.00 O ATOM 672 CB ILE A 46 2.885 -8.443 -2.470 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.556 -8.935 -3.094 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.615 -7.200 -1.617 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.917 -7.958 -4.098 1.00 0.00 C ATOM 0 H ILE A 46 4.060 -10.273 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 46 3.662 -7.332 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 46 3.280 -9.224 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.736 -9.885 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.843 -9.129 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.837 -7.422 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.528 -6.910 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.287 -6.382 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.009 -8.386 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.700 -7.014 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.607 -7.782 -4.924 1.00 0.00 H new ATOM 687 N PHE A 47 5.719 -6.623 -2.907 1.00 0.00 N ATOM 688 CA PHE A 47 6.958 -6.092 -2.350 1.00 0.00 C ATOM 689 C PHE A 47 6.558 -5.080 -1.280 1.00 0.00 C ATOM 690 O PHE A 47 5.893 -4.088 -1.588 1.00 0.00 O ATOM 691 CB PHE A 47 7.799 -5.470 -3.473 1.00 0.00 C ATOM 692 CG PHE A 47 9.121 -4.849 -3.050 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.159 -5.687 -2.604 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.359 -3.462 -3.181 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.431 -5.160 -2.324 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.639 -2.940 -2.916 1.00 0.00 C ATOM 697 CZ PHE A 47 11.676 -3.787 -2.484 1.00 0.00 C ATOM 0 H PHE A 47 5.111 -5.888 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 47 7.577 -6.866 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.004 -6.241 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.201 -4.703 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.977 -6.744 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.559 -2.803 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.222 -5.813 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.826 -1.884 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.656 -3.383 -2.276 1.00 0.00 H new ATOM 707 N PHE A 48 6.855 -5.386 -0.017 1.00 0.00 N ATOM 708 CA PHE A 48 6.406 -4.625 1.144 1.00 0.00 C ATOM 709 C PHE A 48 7.390 -3.488 1.386 1.00 0.00 C ATOM 710 O PHE A 48 8.485 -3.744 1.907 1.00 0.00 O ATOM 711 CB PHE A 48 6.340 -5.533 2.379 1.00 0.00 C ATOM 712 CG PHE A 48 5.253 -6.589 2.367 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.376 -7.738 1.562 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.151 -6.460 3.233 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.418 -8.761 1.641 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.198 -7.486 3.321 1.00 0.00 C ATOM 717 CZ PHE A 48 3.347 -8.643 2.540 1.00 0.00 C ATOM 0 H PHE A 48 7.430 -6.191 0.231 1.00 0.00 H new ATOM 0 HA PHE A 48 5.409 -4.224 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.303 -6.032 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.201 -4.906 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.210 -7.832 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.039 -5.568 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.505 -9.635 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.353 -7.386 3.987 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.633 -9.448 2.632 1.00 0.00 H new ATOM 727 N PHE A 49 7.025 -2.275 0.966 1.00 0.00 N ATOM 728 CA PHE A 49 7.858 -1.078 0.991 1.00 0.00 C ATOM 729 C PHE A 49 8.436 -0.806 2.379 1.00 0.00 C ATOM 730 O PHE A 49 7.880 -1.213 3.409 1.00 0.00 O ATOM 731 CB PHE A 49 7.069 0.116 0.424 1.00 0.00 C ATOM 732 CG PHE A 49 7.144 0.295 -1.086 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.402 0.299 -1.721 1.00 0.00 C ATOM 734 CD2 PHE A 49 5.998 0.611 -1.847 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.535 0.681 -3.061 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.141 1.060 -3.170 1.00 0.00 C ATOM 737 CZ PHE A 49 7.405 1.090 -3.776 1.00 0.00 C ATOM 0 H PHE A 49 6.097 -2.096 0.582 1.00 0.00 H new ATOM 0 HA PHE A 49 8.724 -1.241 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.022 0.005 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.433 1.027 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.279 0.002 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.014 0.508 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.503 0.660 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.272 1.384 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.506 1.429 -4.796 1.00 0.00 H new ATOM 747 N GLY A 50 9.591 -0.139 2.408 1.00 0.00 N ATOM 748 CA GLY A 50 10.434 0.009 3.581 1.00 0.00 C ATOM 749 C GLY A 50 11.183 -1.291 3.865 1.00 0.00 C ATOM 750 O GLY A 50 12.414 -1.300 3.881 1.00 0.00 O ATOM 0 H GLY A 50 9.972 0.326 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.146 0.820 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.825 0.281 4.443 1.00 0.00 H new ATOM 754 N THR A 51 10.459 -2.383 4.111 1.00 0.00 N ATOM 755 CA THR A 51 10.997 -3.636 4.632 1.00 0.00 C ATOM 756 C THR A 51 11.793 -4.466 3.618 1.00 0.00 C ATOM 757 O THR A 51 12.570 -5.326 4.040 1.00 0.00 O ATOM 758 CB THR A 51 9.843 -4.468 5.233 1.00 0.00 C ATOM 759 OG1 THR A 51 8.577 -4.207 4.639 1.00 0.00 O ATOM 760 CG2 THR A 51 9.695 -4.161 6.723 1.00 0.00 C ATOM 0 H THR A 51 9.453 -2.419 3.948 1.00 0.00 H new ATOM 0 HA THR A 51 11.724 -3.366 5.398 1.00 0.00 H new ATOM 0 HB THR A 51 10.113 -5.507 5.044 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.668 -4.204 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.879 -4.753 7.137 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.622 -4.410 7.240 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.479 -3.101 6.856 1.00 0.00 H new ATOM 768 N HIS A 52 11.591 -4.259 2.311 1.00 0.00 N ATOM 769 CA HIS A 52 12.101 -5.093 1.217 1.00 0.00 C ATOM 770 C HIS A 52 11.713 -6.583 1.327 1.00 0.00 C ATOM 771 O HIS A 52 12.237 -7.409 0.576 1.00 0.00 O ATOM 772 CB HIS A 52 13.602 -4.852 0.961 1.00 0.00 C ATOM 773 CG HIS A 52 14.044 -3.445 0.594 1.00 0.00 C ATOM 774 ND1 HIS A 52 15.335 -3.121 0.226 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.306 -2.284 0.549 1.00 0.00 C ATOM 776 CE1 HIS A 52 15.380 -1.807 -0.039 1.00 0.00 C ATOM 777 NE2 HIS A 52 14.177 -1.252 0.178 1.00 0.00 N ATOM 0 H HIS A 52 11.042 -3.469 1.972 1.00 0.00 H new ATOM 0 HA HIS A 52 11.583 -4.761 0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.146 -5.150 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.916 -5.521 0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.251 -2.187 0.760 1.00 0.00 H new ATOM 0 HE1 HIS A 52 16.256 -1.273 -0.377 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.941 -0.264 0.089 1.00 0.00 H new ATOM 785 N GLU A 53 10.789 -6.951 2.223 1.00 0.00 N ATOM 786 CA GLU A 53 10.226 -8.295 2.250 1.00 0.00 C ATOM 787 C GLU A 53 9.318 -8.508 1.036 1.00 0.00 C ATOM 788 O GLU A 53 8.830 -7.564 0.405 1.00 0.00 O ATOM 789 CB GLU A 53 9.437 -8.572 3.542 1.00 0.00 C ATOM 790 CG GLU A 53 10.330 -8.849 4.760 1.00 0.00 C ATOM 791 CD GLU A 53 9.633 -9.613 5.895 1.00 0.00 C ATOM 792 OE1 GLU A 53 8.405 -9.855 5.847 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.327 -9.990 6.872 1.00 0.00 O ATOM 0 H GLU A 53 10.417 -6.328 2.940 1.00 0.00 H new ATOM 0 HA GLU A 53 11.061 -8.995 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.798 -7.716 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.781 -9.427 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.200 -9.419 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.698 -7.900 5.149 1.00 0.00 H new ATOM 800 N THR A 54 9.069 -9.782 0.756 1.00 0.00 N ATOM 801 CA THR A 54 8.346 -10.295 -0.387 1.00 0.00 C ATOM 802 C THR A 54 7.506 -11.473 0.100 1.00 0.00 C ATOM 803 O THR A 54 7.993 -12.291 0.889 1.00 0.00 O ATOM 804 CB THR A 54 9.361 -10.730 -1.464 1.00 0.00 C ATOM 805 OG1 THR A 54 10.447 -11.442 -0.887 1.00 0.00 O ATOM 806 CG2 THR A 54 9.944 -9.532 -2.219 1.00 0.00 C ATOM 0 H THR A 54 9.392 -10.531 1.369 1.00 0.00 H new ATOM 0 HA THR A 54 7.692 -9.543 -0.829 1.00 0.00 H new ATOM 0 HB THR A 54 8.810 -11.367 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.075 -11.708 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.654 -9.884 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.139 -8.985 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.454 -8.873 -1.517 1.00 0.00 H new ATOM 814 N ALA A 55 6.264 -11.570 -0.370 1.00 0.00 N ATOM 815 CA ALA A 55 5.423 -12.751 -0.264 1.00 0.00 C ATOM 816 C ALA A 55 4.378 -12.649 -1.368 1.00 0.00 C ATOM 817 O ALA A 55 3.995 -11.541 -1.749 1.00 0.00 O ATOM 818 CB ALA A 55 4.725 -12.804 1.103 1.00 0.00 C ATOM 0 H ALA A 55 5.803 -10.798 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 55 6.024 -13.655 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.101 -13.696 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.475 -12.835 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.103 -11.918 1.228 1.00 0.00 H new ATOM 824 N PHE A 56 3.842 -13.779 -1.821 1.00 0.00 N ATOM 825 CA PHE A 56 2.740 -13.761 -2.762 1.00 0.00 C ATOM 826 C PHE A 56 1.450 -13.686 -1.947 1.00 0.00 C ATOM 827 O PHE A 56 1.181 -14.573 -1.127 1.00 0.00 O ATOM 828 CB PHE A 56 2.782 -15.011 -3.656 1.00 0.00 C ATOM 829 CG PHE A 56 4.074 -15.226 -4.431 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.515 -14.254 -5.345 1.00 0.00 C ATOM 831 CD2 PHE A 56 4.829 -16.405 -4.272 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.694 -14.445 -6.087 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.008 -16.599 -5.013 1.00 0.00 C ATOM 834 CZ PHE A 56 6.443 -15.621 -5.923 1.00 0.00 C ATOM 0 H PHE A 56 4.155 -14.711 -1.550 1.00 0.00 H new ATOM 0 HA PHE A 56 2.803 -12.901 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.604 -15.887 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.958 -14.954 -4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.941 -13.349 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.500 -17.164 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.023 -13.687 -6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.582 -17.504 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.348 -15.773 -6.493 1.00 0.00 H new ATOM 844 N LEU A 57 0.622 -12.665 -2.182 1.00 0.00 N ATOM 845 CA LEU A 57 -0.734 -12.580 -1.617 1.00 0.00 C ATOM 846 C LEU A 57 -1.738 -12.406 -2.756 1.00 0.00 C ATOM 847 O LEU A 57 -1.378 -11.970 -3.854 1.00 0.00 O ATOM 848 CB LEU A 57 -0.855 -11.463 -0.565 1.00 0.00 C ATOM 849 CG LEU A 57 0.062 -11.655 0.666 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.342 -10.313 1.336 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.550 -12.598 1.709 1.00 0.00 C ATOM 0 H LEU A 57 0.871 -11.870 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.955 -13.507 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.619 -10.508 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.890 -11.406 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 57 0.986 -12.099 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.988 -10.466 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.835 -9.648 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.597 -9.865 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.133 -12.699 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.499 -12.189 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.719 -13.577 1.260 1.00 0.00 H new ATOM 863 N GLY A 58 -2.991 -12.785 -2.510 1.00 0.00 N ATOM 864 CA GLY A 58 -4.077 -12.731 -3.465 1.00 0.00 C ATOM 865 C GLY A 58 -4.926 -11.478 -3.272 1.00 0.00 C ATOM 866 O GLY A 58 -4.898 -10.855 -2.209 1.00 0.00 O ATOM 0 H GLY A 58 -3.280 -13.151 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.674 -12.747 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.703 -13.617 -3.357 1.00 0.00 H new ATOM 870 N PRO A 59 -5.714 -11.108 -4.292 1.00 0.00 N ATOM 871 CA PRO A 59 -6.364 -9.811 -4.379 1.00 0.00 C ATOM 872 C PRO A 59 -7.353 -9.588 -3.243 1.00 0.00 C ATOM 873 O PRO A 59 -7.464 -8.474 -2.751 1.00 0.00 O ATOM 874 CB PRO A 59 -7.030 -9.754 -5.760 1.00 0.00 C ATOM 875 CG PRO A 59 -7.141 -11.216 -6.192 1.00 0.00 C ATOM 876 CD PRO A 59 -5.995 -11.912 -5.458 1.00 0.00 C ATOM 0 HA PRO A 59 -5.639 -9.004 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.010 -9.280 -5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.433 -9.176 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.106 -11.640 -5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.044 -11.320 -7.273 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.275 -12.926 -5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.115 -11.992 -6.097 1.00 0.00 H new ATOM 884 N LYS A 60 -8.038 -10.640 -2.794 1.00 0.00 N ATOM 885 CA LYS A 60 -9.023 -10.525 -1.729 1.00 0.00 C ATOM 886 C LYS A 60 -8.400 -10.375 -0.335 1.00 0.00 C ATOM 887 O LYS A 60 -9.144 -10.130 0.619 1.00 0.00 O ATOM 888 CB LYS A 60 -9.992 -11.709 -1.821 1.00 0.00 C ATOM 889 CG LYS A 60 -11.017 -11.538 -2.956 1.00 0.00 C ATOM 890 CD LYS A 60 -10.994 -12.624 -4.041 1.00 0.00 C ATOM 891 CE LYS A 60 -11.382 -13.993 -3.469 1.00 0.00 C ATOM 892 NZ LYS A 60 -11.762 -14.959 -4.520 1.00 0.00 N ATOM 0 H LYS A 60 -7.924 -11.586 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.578 -9.598 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.426 -12.627 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.518 -11.820 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.015 -11.508 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.848 -10.572 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.682 -12.355 -4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.998 -12.680 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.546 -14.394 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.213 -13.871 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.015 -15.867 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.577 -14.592 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.961 -15.099 -5.169 1.00 0.00 H new ATOM 906 N ASP A 61 -7.078 -10.511 -0.191 1.00 0.00 N ATOM 907 CA ASP A 61 -6.372 -10.163 1.047 1.00 0.00 C ATOM 908 C ASP A 61 -5.728 -8.777 0.928 1.00 0.00 C ATOM 909 O ASP A 61 -5.356 -8.189 1.949 1.00 0.00 O ATOM 910 CB ASP A 61 -5.281 -11.202 1.398 1.00 0.00 C ATOM 911 CG ASP A 61 -5.811 -12.525 1.991 1.00 0.00 C ATOM 912 OD1 ASP A 61 -7.031 -12.807 1.945 1.00 0.00 O ATOM 913 OD2 ASP A 61 -5.019 -13.309 2.566 1.00 0.00 O ATOM 0 H ASP A 61 -6.468 -10.865 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.113 -10.158 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.711 -11.427 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.588 -10.753 2.110 1.00 0.00 H new ATOM 918 N LEU A 62 -5.505 -8.284 -0.294 1.00 0.00 N ATOM 919 CA LEU A 62 -4.887 -6.993 -0.589 1.00 0.00 C ATOM 920 C LEU A 62 -5.956 -5.898 -0.530 1.00 0.00 C ATOM 921 O LEU A 62 -7.148 -6.196 -0.455 1.00 0.00 O ATOM 922 CB LEU A 62 -4.254 -7.043 -1.996 1.00 0.00 C ATOM 923 CG LEU A 62 -3.053 -7.998 -2.131 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.670 -8.212 -3.599 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.823 -7.477 -1.388 1.00 0.00 C ATOM 0 H LEU A 62 -5.762 -8.797 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.111 -6.774 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.019 -7.341 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.934 -6.038 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.369 -8.943 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.819 -8.891 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.515 -8.642 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.403 -7.256 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.000 -8.181 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.535 -6.508 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.056 -7.370 -0.329 1.00 0.00 H new ATOM 937 N PHE A 63 -5.523 -4.635 -0.577 1.00 0.00 N ATOM 938 CA PHE A 63 -6.399 -3.481 -0.713 1.00 0.00 C ATOM 939 C PHE A 63 -5.768 -2.477 -1.676 1.00 0.00 C ATOM 940 O PHE A 63 -4.537 -2.365 -1.708 1.00 0.00 O ATOM 941 CB PHE A 63 -6.641 -2.805 0.642 1.00 0.00 C ATOM 942 CG PHE A 63 -7.530 -3.607 1.565 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.003 -4.686 2.294 1.00 0.00 C ATOM 944 CD2 PHE A 63 -8.898 -3.301 1.655 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.847 -5.495 3.068 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.743 -4.084 2.456 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.219 -5.189 3.146 1.00 0.00 C ATOM 0 H PHE A 63 -4.535 -4.388 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.359 -3.822 -1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.682 -2.635 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.092 -1.827 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.944 -4.893 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.300 -2.462 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.448 -6.346 3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.791 -3.838 2.541 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.873 -5.809 3.741 1.00 0.00 H new ATOM 957 N PRO A 64 -6.583 -1.706 -2.413 1.00 0.00 N ATOM 958 CA PRO A 64 -6.092 -0.694 -3.329 1.00 0.00 C ATOM 959 C PRO A 64 -5.310 0.402 -2.614 1.00 0.00 C ATOM 960 O PRO A 64 -5.605 0.761 -1.474 1.00 0.00 O ATOM 961 CB PRO A 64 -7.319 -0.093 -4.013 1.00 0.00 C ATOM 962 CG PRO A 64 -8.546 -0.772 -3.412 1.00 0.00 C ATOM 963 CD PRO A 64 -8.030 -1.820 -2.447 1.00 0.00 C ATOM 0 HA PRO A 64 -5.405 -1.148 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.359 0.985 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.278 -0.256 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.177 -0.047 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.157 -1.229 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.450 -1.666 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.329 -2.818 -2.769 1.00 0.00 H new ATOM 971 N TYR A 65 -4.379 1.026 -3.330 1.00 0.00 N ATOM 972 CA TYR A 65 -3.737 2.234 -2.851 1.00 0.00 C ATOM 973 C TYR A 65 -4.688 3.415 -2.885 1.00 0.00 C ATOM 974 O TYR A 65 -4.924 4.031 -1.852 1.00 0.00 O ATOM 975 CB TYR A 65 -2.507 2.547 -3.686 1.00 0.00 C ATOM 976 CG TYR A 65 -1.749 3.747 -3.176 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.206 3.709 -1.880 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.609 4.898 -3.972 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.545 4.831 -1.363 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.916 6.014 -3.469 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.397 5.991 -2.154 1.00 0.00 C ATOM 982 OH TYR A 65 0.206 7.094 -1.640 1.00 0.00 O ATOM 0 H TYR A 65 -4.056 0.710 -4.244 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.439 2.061 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.846 1.680 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.809 2.724 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.298 2.814 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.032 4.925 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.148 4.808 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.780 6.889 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 65 0.226 7.802 -2.318 1.00 0.00 H new ATOM 992 N LYS A 66 -5.213 3.775 -4.061 1.00 0.00 N ATOM 993 CA LYS A 66 -5.834 5.086 -4.238 1.00 0.00 C ATOM 994 C LYS A 66 -7.073 5.255 -3.351 1.00 0.00 C ATOM 995 O LYS A 66 -7.406 6.378 -2.981 1.00 0.00 O ATOM 996 CB LYS A 66 -6.136 5.340 -5.724 1.00 0.00 C ATOM 997 CG LYS A 66 -4.902 5.297 -6.649 1.00 0.00 C ATOM 998 CD LYS A 66 -5.023 6.261 -7.844 1.00 0.00 C ATOM 999 CE LYS A 66 -3.957 5.976 -8.916 1.00 0.00 C ATOM 1000 NZ LYS A 66 -4.417 5.036 -9.967 1.00 0.00 N ATOM 0 H LYS A 66 -5.220 3.184 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.125 5.847 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.856 4.597 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.613 6.315 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.012 5.549 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.765 4.281 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.016 6.171 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.922 7.288 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.661 6.915 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.069 5.566 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.654 4.886 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.673 4.127 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.247 5.435 -10.450 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.733 4.159 -2.978 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.864 4.146 -2.062 1.00 0.00 C ATOM 1016 C GLU A 67 -8.408 4.432 -0.627 1.00 0.00 C ATOM 1017 O GLU A 67 -9.107 5.134 0.106 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.556 2.772 -2.085 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.648 2.567 -3.142 1.00 0.00 C ATOM 1020 CD GLU A 67 -10.090 2.059 -4.466 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -9.181 2.726 -5.010 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -10.551 1.003 -4.959 1.00 0.00 O ATOM 0 H GLU A 67 -7.485 3.230 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.558 4.921 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.792 2.009 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.996 2.596 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.385 1.857 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.169 3.510 -3.309 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.264 3.888 -0.198 1.00 0.00 N ATOM 1030 CA TYR A 68 -6.832 3.832 1.200 1.00 0.00 C ATOM 1031 C TYR A 68 -5.589 4.691 1.470 1.00 0.00 C ATOM 1032 O TYR A 68 -5.029 4.617 2.563 1.00 0.00 O ATOM 1033 CB TYR A 68 -6.635 2.374 1.629 1.00 0.00 C ATOM 1034 CG TYR A 68 -7.907 1.544 1.626 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.340 0.944 0.434 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.661 1.368 2.803 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.532 0.203 0.392 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -9.828 0.583 2.783 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.279 0.011 1.573 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.420 -0.732 1.533 1.00 0.00 O ATOM 0 H TYR A 68 -6.593 3.461 -0.836 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.622 4.266 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.909 1.907 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.206 2.357 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.749 1.053 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.342 1.837 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.876 -0.218 -0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.381 0.417 3.696 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.817 -0.770 2.428 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.155 5.525 0.519 1.00 0.00 N ATOM 1051 CA LYS A 69 -3.984 6.387 0.636 1.00 0.00 C ATOM 1052 C LYS A 69 -4.074 7.283 1.882 1.00 0.00 C ATOM 1053 O LYS A 69 -3.045 7.622 2.463 1.00 0.00 O ATOM 1054 CB LYS A 69 -3.816 7.175 -0.687 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.034 8.478 -0.477 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.540 9.215 -1.727 1.00 0.00 C ATOM 1057 CE LYS A 69 -3.450 10.346 -2.235 1.00 0.00 C ATOM 1058 NZ LYS A 69 -4.716 9.867 -2.828 1.00 0.00 N ATOM 0 H LYS A 69 -5.627 5.618 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.085 5.789 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.298 6.553 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.798 7.403 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.666 9.162 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.168 8.254 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.556 9.632 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.412 8.488 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.678 11.017 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.908 10.930 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.279 10.681 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.508 9.249 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.253 9.334 -2.115 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.276 7.666 2.311 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.469 8.443 3.532 1.00 0.00 C ATOM 1074 C ASP A 70 -5.870 7.541 4.687 1.00 0.00 C ATOM 1075 O ASP A 70 -5.490 7.831 5.819 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.531 9.528 3.349 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.020 10.663 2.478 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.099 11.379 2.926 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -6.577 10.864 1.372 1.00 0.00 O ATOM 0 H ASP A 70 -6.143 7.446 1.821 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.517 8.923 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.423 9.094 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.825 9.919 4.323 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.644 6.475 4.452 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.081 5.575 5.518 1.00 0.00 C ATOM 1086 C LYS A 71 -5.880 4.796 6.055 1.00 0.00 C ATOM 1087 O LYS A 71 -5.517 4.948 7.219 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.230 4.671 5.021 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.183 4.217 6.142 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.656 3.126 7.082 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.543 3.034 8.331 1.00 0.00 C ATOM 1092 NZ LYS A 71 -9.057 2.054 9.328 1.00 0.00 N ATOM 0 H LYS A 71 -6.981 6.216 3.525 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.487 6.147 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.802 5.207 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.806 3.791 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.445 5.088 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.104 3.858 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.641 2.166 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.629 3.349 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.602 4.017 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.555 2.763 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.700 2.042 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.026 1.108 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.103 2.323 9.643 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.285 3.932 5.232 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.166 3.070 5.595 1.00 0.00 C ATOM 1108 C PHE A 72 -2.828 3.791 5.450 1.00 0.00 C ATOM 1109 O PHE A 72 -1.904 3.473 6.201 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.168 1.806 4.719 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.379 0.892 4.826 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.187 0.874 5.979 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -5.693 0.024 3.761 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.292 0.012 6.056 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -6.777 -0.860 3.860 1.00 0.00 C ATOM 1116 CZ PHE A 72 -7.581 -0.873 5.005 1.00 0.00 C ATOM 0 H PHE A 72 -5.580 3.811 4.263 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.290 2.793 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.068 2.115 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.281 1.222 4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.955 1.526 6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.094 0.040 2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.925 0.030 6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.993 -1.536 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.414 -1.556 5.080 1.00 0.00 H new ATOM 1126 N GLY A 73 -2.711 4.754 4.530 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.473 5.478 4.267 1.00 0.00 C ATOM 1128 C GLY A 73 -1.216 6.531 5.341 1.00 0.00 C ATOM 1129 O GLY A 73 -1.184 7.728 5.067 1.00 0.00 O ATOM 0 H GLY A 73 -3.488 5.053 3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.638 4.778 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.528 5.957 3.289 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.040 6.111 6.592 1.00 0.00 N ATOM 1134 CA LYS A 74 -0.801 6.982 7.733 1.00 0.00 C ATOM 1135 C LYS A 74 0.265 6.401 8.629 1.00 0.00 C ATOM 1136 O LYS A 74 0.738 5.282 8.422 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.109 7.241 8.496 1.00 0.00 C ATOM 1138 CG LYS A 74 -2.925 8.372 7.864 1.00 0.00 C ATOM 1139 CD LYS A 74 -2.264 9.761 7.926 1.00 0.00 C ATOM 1140 CE LYS A 74 -1.745 10.289 6.580 1.00 0.00 C ATOM 1141 NZ LYS A 74 -0.282 10.191 6.376 1.00 0.00 N ATOM 0 H LYS A 74 -1.061 5.123 6.844 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.436 7.943 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.706 6.329 8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.881 7.493 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.116 8.123 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.893 8.424 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.986 10.474 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.432 9.721 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.243 9.742 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.038 11.334 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.061 11.050 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.191 10.092 7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.069 9.361 5.786 1.00 0.00 H new ATOM 1155 N SER A 75 0.654 7.183 9.627 1.00 0.00 N ATOM 1156 CA SER A 75 1.476 6.694 10.689 1.00 0.00 C ATOM 1157 C SER A 75 0.698 5.671 11.503 1.00 0.00 C ATOM 1158 O SER A 75 -0.530 5.707 11.610 1.00 0.00 O ATOM 1159 CB SER A 75 1.962 7.860 11.540 1.00 0.00 C ATOM 1160 OG SER A 75 2.613 8.841 10.739 1.00 0.00 O ATOM 0 H SER A 75 0.402 8.168 9.709 1.00 0.00 H new ATOM 0 HA SER A 75 2.357 6.194 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.117 8.312 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.649 7.496 12.304 1.00 0.00 H new ATOM 0 HG SER A 75 2.914 9.580 11.308 1.00 0.00 H new ATOM 1166 N ASN A 76 1.458 4.774 12.113 1.00 0.00 N ATOM 1167 CA ASN A 76 1.028 3.985 13.253 1.00 0.00 C ATOM 1168 C ASN A 76 2.200 4.037 14.227 1.00 0.00 C ATOM 1169 O ASN A 76 2.340 5.044 14.916 1.00 0.00 O ATOM 1170 CB ASN A 76 0.578 2.567 12.843 1.00 0.00 C ATOM 1171 CG ASN A 76 -0.934 2.410 12.887 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -1.489 2.252 13.970 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -1.618 2.331 11.761 1.00 0.00 N ATOM 0 H ASN A 76 2.414 4.571 11.820 1.00 0.00 H new ATOM 0 HA ASN A 76 0.132 4.381 13.731 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.935 2.351 11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.037 1.835 13.508 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.619 2.137 11.785 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.146 2.464 10.867 1.00 0.00 H new ATOM 1180 N LYS A 77 3.088 3.032 14.258 1.00 0.00 N ATOM 1181 CA LYS A 77 4.132 2.961 15.288 1.00 0.00 C ATOM 1182 C LYS A 77 5.334 2.074 14.969 1.00 0.00 C ATOM 1183 O LYS A 77 6.361 2.243 15.623 1.00 0.00 O ATOM 1184 CB LYS A 77 3.492 2.531 16.624 1.00 0.00 C ATOM 1185 CG LYS A 77 2.742 1.189 16.585 1.00 0.00 C ATOM 1186 CD LYS A 77 3.522 0.016 17.191 1.00 0.00 C ATOM 1187 CE LYS A 77 2.913 -1.343 16.817 1.00 0.00 C ATOM 1188 NZ LYS A 77 1.444 -1.398 16.991 1.00 0.00 N ATOM 0 H LYS A 77 3.104 2.264 13.587 1.00 0.00 H new ATOM 0 HA LYS A 77 4.552 3.965 15.343 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.274 2.471 17.381 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.798 3.308 16.944 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.798 1.297 17.119 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.497 0.952 15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.556 0.055 16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.541 0.117 18.276 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.157 -1.569 15.779 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.373 -2.119 17.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.119 -2.380 16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.193 -1.049 17.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.987 -0.803 16.271 1.00 0.00 H new ATOM 1202 N ARG A 78 5.249 1.106 14.048 1.00 0.00 N ATOM 1203 CA ARG A 78 6.388 0.234 13.757 1.00 0.00 C ATOM 1204 C ARG A 78 7.542 1.034 13.148 1.00 0.00 C ATOM 1205 O ARG A 78 7.323 1.952 12.357 1.00 0.00 O ATOM 1206 CB ARG A 78 5.956 -0.911 12.818 1.00 0.00 C ATOM 1207 CG ARG A 78 6.080 -2.305 13.443 1.00 0.00 C ATOM 1208 CD ARG A 78 7.506 -2.830 13.274 1.00 0.00 C ATOM 1209 NE ARG A 78 7.732 -4.089 13.997 1.00 0.00 N ATOM 1210 CZ ARG A 78 8.931 -4.676 14.113 1.00 0.00 C ATOM 1211 NH1 ARG A 78 9.980 -4.240 13.431 1.00 0.00 N ATOM 1212 NH2 ARG A 78 9.074 -5.695 14.945 1.00 0.00 N ATOM 0 H ARG A 78 4.412 0.910 13.498 1.00 0.00 H new ATOM 0 HA ARG A 78 6.740 -0.201 14.692 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.921 -0.749 12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.562 -0.874 11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.823 -2.262 14.501 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.374 -2.988 12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.711 -2.982 12.214 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.211 -2.079 13.630 1.00 0.00 H new ATOM 0 HE ARG A 78 6.930 -4.542 14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.884 -3.442 12.802 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.884 -4.702 13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.277 -6.025 15.489 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.981 -6.150 15.042 1.00 0.00 H new ATOM 1226 N LYS A 79 8.764 0.614 13.463 1.00 0.00 N ATOM 1227 CA LYS A 79 9.975 0.891 12.694 1.00 0.00 C ATOM 1228 C LYS A 79 9.789 0.304 11.285 1.00 0.00 C ATOM 1229 O LYS A 79 8.942 -0.578 11.115 1.00 0.00 O ATOM 1230 CB LYS A 79 11.134 0.231 13.467 1.00 0.00 C ATOM 1231 CG LYS A 79 12.493 0.912 13.284 1.00 0.00 C ATOM 1232 CD LYS A 79 13.620 0.112 13.962 1.00 0.00 C ATOM 1233 CE LYS A 79 13.520 0.039 15.491 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.027 1.255 16.159 1.00 0.00 N ATOM 0 H LYS A 79 8.946 0.049 14.293 1.00 0.00 H new ATOM 0 HA LYS A 79 10.186 1.954 12.575 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.887 0.223 14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.218 -0.809 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.709 1.017 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.457 1.918 13.703 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.619 -0.902 13.562 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.577 0.560 13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.479 -0.118 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.081 -0.825 15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.935 1.149 17.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.028 1.394 15.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.476 2.079 15.845 1.00 0.00 H new ATOM 1248 N GLY A 80 10.492 0.806 10.266 1.00 0.00 N ATOM 1249 CA GLY A 80 10.410 0.363 8.870 1.00 0.00 C ATOM 1250 C GLY A 80 9.137 0.812 8.167 1.00 0.00 C ATOM 1251 O GLY A 80 9.191 1.324 7.053 1.00 0.00 O ATOM 0 H GLY A 80 11.162 1.564 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.272 0.746 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.470 -0.725 8.838 1.00 0.00 H new ATOM 1255 N PHE A 81 7.992 0.696 8.837 1.00 0.00 N ATOM 1256 CA PHE A 81 6.698 1.179 8.390 1.00 0.00 C ATOM 1257 C PHE A 81 6.824 2.615 7.904 1.00 0.00 C ATOM 1258 O PHE A 81 6.459 2.932 6.782 1.00 0.00 O ATOM 1259 CB PHE A 81 5.732 1.100 9.576 1.00 0.00 C ATOM 1260 CG PHE A 81 4.264 1.215 9.231 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.673 0.258 8.387 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.479 2.248 9.777 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.292 0.297 8.143 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.116 2.340 9.443 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.515 1.347 8.651 1.00 0.00 C ATOM 0 H PHE A 81 7.945 0.240 9.748 1.00 0.00 H new ATOM 0 HA PHE A 81 6.326 0.573 7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.893 0.153 10.090 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.985 1.892 10.281 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.282 -0.506 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.922 2.967 10.450 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.826 -0.485 7.562 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.530 3.176 9.796 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.458 1.393 8.434 1.00 0.00 H new ATOM 1275 N ASN A 82 7.369 3.481 8.756 1.00 0.00 N ATOM 1276 CA ASN A 82 7.451 4.909 8.501 1.00 0.00 C ATOM 1277 C ASN A 82 8.214 5.211 7.209 1.00 0.00 C ATOM 1278 O ASN A 82 7.846 6.152 6.506 1.00 0.00 O ATOM 1279 CB ASN A 82 8.152 5.582 9.686 1.00 0.00 C ATOM 1280 CG ASN A 82 7.454 5.525 11.038 1.00 0.00 C ATOM 1281 OD1 ASN A 82 8.114 5.475 12.070 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.137 5.570 11.120 1.00 0.00 N ATOM 0 H ASN A 82 7.769 3.203 9.652 1.00 0.00 H new ATOM 0 HA ASN A 82 6.440 5.298 8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.137 5.129 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.310 6.630 9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.682 5.563 12.033 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.574 5.612 10.270 1.00 0.00 H new ATOM 1289 N GLU A 83 9.232 4.406 6.886 1.00 0.00 N ATOM 1290 CA GLU A 83 9.970 4.477 5.633 1.00 0.00 C ATOM 1291 C GLU A 83 9.102 4.011 4.471 1.00 0.00 C ATOM 1292 O GLU A 83 9.011 4.726 3.476 1.00 0.00 O ATOM 1293 CB GLU A 83 11.265 3.647 5.721 1.00 0.00 C ATOM 1294 CG GLU A 83 12.323 4.421 6.506 1.00 0.00 C ATOM 1295 CD GLU A 83 13.720 3.818 6.389 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.938 2.689 6.880 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.610 4.518 5.857 1.00 0.00 O ATOM 0 H GLU A 83 9.569 3.671 7.508 1.00 0.00 H new ATOM 0 HA GLU A 83 10.245 5.516 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.064 2.693 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.633 3.423 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.348 5.451 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.035 4.453 7.557 1.00 0.00 H new ATOM 1304 N GLY A 84 8.444 2.855 4.586 1.00 0.00 N ATOM 1305 CA GLY A 84 7.590 2.325 3.528 1.00 0.00 C ATOM 1306 C GLY A 84 6.434 3.265 3.180 1.00 0.00 C ATOM 1307 O GLY A 84 6.039 3.374 2.020 1.00 0.00 O ATOM 0 H GLY A 84 8.490 2.263 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.191 2.148 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.188 1.361 3.839 1.00 0.00 H new ATOM 1311 N LEU A 85 5.897 3.972 4.177 1.00 0.00 N ATOM 1312 CA LEU A 85 4.851 4.963 3.990 1.00 0.00 C ATOM 1313 C LEU A 85 5.378 6.201 3.255 1.00 0.00 C ATOM 1314 O LEU A 85 4.633 6.758 2.450 1.00 0.00 O ATOM 1315 CB LEU A 85 4.249 5.353 5.349 1.00 0.00 C ATOM 1316 CG LEU A 85 3.157 4.414 5.905 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.853 4.417 5.102 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.580 3.010 6.321 1.00 0.00 C ATOM 0 H LEU A 85 6.186 3.866 5.150 1.00 0.00 H new ATOM 0 HA LEU A 85 4.070 4.522 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.057 5.409 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.828 6.355 5.263 1.00 0.00 H new ATOM 0 HG LEU A 85 2.949 4.899 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.141 3.731 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.433 5.423 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.055 4.099 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.713 2.463 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.999 2.487 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.331 3.075 7.108 1.00 0.00 H new ATOM 1330 N TRP A 86 6.625 6.622 3.496 1.00 0.00 N ATOM 1331 CA TRP A 86 7.255 7.658 2.679 1.00 0.00 C ATOM 1332 C TRP A 86 7.468 7.149 1.254 1.00 0.00 C ATOM 1333 O TRP A 86 7.292 7.918 0.307 1.00 0.00 O ATOM 1334 CB TRP A 86 8.568 8.112 3.334 1.00 0.00 C ATOM 1335 CG TRP A 86 9.296 9.220 2.635 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.248 10.535 2.935 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.188 9.124 1.492 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.112 11.236 2.121 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.698 10.415 1.183 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.587 8.058 0.678 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.554 10.633 0.096 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.438 8.252 -0.426 1.00 0.00 C ATOM 1343 CH2 TRP A 86 11.913 9.545 -0.721 1.00 0.00 C ATOM 0 H TRP A 86 7.213 6.261 4.247 1.00 0.00 H new ATOM 0 HA TRP A 86 6.599 8.526 2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.352 8.431 4.354 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.234 7.252 3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.625 10.974 3.700 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.294 12.236 2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.233 7.062 0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 11.933 11.623 -0.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.725 7.414 -1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.554 9.702 -1.576 1.00 0.00 H new ATOM 1354 N GLU A 87 7.852 5.879 1.115 1.00 0.00 N ATOM 1355 CA GLU A 87 8.232 5.285 -0.150 1.00 0.00 C ATOM 1356 C GLU A 87 7.047 5.240 -1.093 1.00 0.00 C ATOM 1357 O GLU A 87 7.188 5.671 -2.231 1.00 0.00 O ATOM 1358 CB GLU A 87 8.799 3.875 0.068 1.00 0.00 C ATOM 1359 CG GLU A 87 10.169 3.759 -0.590 1.00 0.00 C ATOM 1360 CD GLU A 87 10.656 2.328 -0.654 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.530 1.614 0.366 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.089 1.943 -1.760 1.00 0.00 O ATOM 0 H GLU A 87 7.906 5.229 1.899 1.00 0.00 H new ATOM 0 HA GLU A 87 9.008 5.903 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.880 3.667 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.121 3.132 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.121 4.170 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.888 4.361 -0.035 1.00 0.00 H new ATOM 1369 N ILE A 88 5.881 4.770 -0.642 1.00 0.00 N ATOM 1370 CA ILE A 88 4.719 4.629 -1.520 1.00 0.00 C ATOM 1371 C ILE A 88 4.182 6.004 -1.985 1.00 0.00 C ATOM 1372 O ILE A 88 3.611 6.121 -3.071 1.00 0.00 O ATOM 1373 CB ILE A 88 3.674 3.742 -0.802 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.653 3.166 -1.799 1.00 0.00 C ATOM 1375 CG2 ILE A 88 2.986 4.480 0.360 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.860 1.977 -1.241 1.00 0.00 C ATOM 0 H ILE A 88 5.718 4.482 0.323 1.00 0.00 H new ATOM 0 HA ILE A 88 4.996 4.129 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 88 4.212 2.903 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.957 3.953 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.176 2.852 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.261 3.818 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.734 4.782 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.475 5.364 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.159 1.621 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.547 1.174 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.310 2.291 -0.354 1.00 0.00 H new ATOM 1388 N GLU A 89 4.398 7.064 -1.193 1.00 0.00 N ATOM 1389 CA GLU A 89 4.088 8.443 -1.569 1.00 0.00 C ATOM 1390 C GLU A 89 5.084 8.995 -2.604 1.00 0.00 C ATOM 1391 O GLU A 89 4.818 10.019 -3.240 1.00 0.00 O ATOM 1392 CB GLU A 89 4.057 9.345 -0.318 1.00 0.00 C ATOM 1393 CG GLU A 89 2.762 9.192 0.487 1.00 0.00 C ATOM 1394 CD GLU A 89 2.479 10.401 1.386 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.890 10.405 2.574 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.762 11.321 0.931 1.00 0.00 O ATOM 0 H GLU A 89 4.800 6.982 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 89 3.102 8.442 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.908 9.105 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.171 10.386 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.927 9.051 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.825 8.294 1.102 1.00 0.00 H new ATOM 1403 N ASN A 90 6.230 8.341 -2.791 1.00 0.00 N ATOM 1404 CA ASN A 90 7.273 8.740 -3.725 1.00 0.00 C ATOM 1405 C ASN A 90 7.198 7.820 -4.939 1.00 0.00 C ATOM 1406 O ASN A 90 6.699 8.245 -5.981 1.00 0.00 O ATOM 1407 CB ASN A 90 8.638 8.793 -3.024 1.00 0.00 C ATOM 1408 CG ASN A 90 8.802 10.119 -2.287 1.00 0.00 C ATOM 1409 OD1 ASN A 90 9.166 11.129 -2.886 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.505 10.178 -0.996 1.00 0.00 N ATOM 0 H ASN A 90 6.462 7.491 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 90 7.124 9.756 -4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.726 7.965 -2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.436 8.675 -3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.578 11.064 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.203 9.337 -0.503 1.00 0.00 H new ATOM 1417 N SER A 91 7.587 6.547 -4.798 1.00 0.00 N ATOM 1418 CA SER A 91 7.511 5.502 -5.821 1.00 0.00 C ATOM 1419 C SER A 91 8.047 6.043 -7.155 1.00 0.00 C ATOM 1420 O SER A 91 7.356 6.065 -8.182 1.00 0.00 O ATOM 1421 CB SER A 91 6.081 4.926 -5.830 1.00 0.00 C ATOM 1422 OG SER A 91 5.850 3.939 -6.821 1.00 0.00 O ATOM 0 H SER A 91 7.983 6.203 -3.923 1.00 0.00 H new ATOM 0 HA SER A 91 8.158 4.652 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.870 4.496 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.375 5.743 -5.978 1.00 0.00 H new ATOM 0 HG SER A 91 6.145 4.276 -7.693 1.00 0.00 H new ATOM 1428 N GLY A 92 9.283 6.545 -7.121 1.00 0.00 N ATOM 1429 CA GLY A 92 9.950 7.142 -8.261 1.00 0.00 C ATOM 1430 C GLY A 92 11.349 7.645 -7.905 1.00 0.00 C ATOM 1431 O GLY A 92 11.722 7.665 -6.726 1.00 0.00 O ATOM 0 H GLY A 92 9.854 6.544 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.022 6.409 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.351 7.971 -8.638 1.00 0.00 H new ATOM 1435 N PRO A 93 12.139 8.035 -8.919 1.00 0.00 N ATOM 1436 CA PRO A 93 13.374 8.784 -8.738 1.00 0.00 C ATOM 1437 C PRO A 93 13.079 10.263 -8.436 1.00 0.00 C ATOM 1438 O PRO A 93 11.926 10.705 -8.485 1.00 0.00 O ATOM 1439 CB PRO A 93 14.118 8.609 -10.066 1.00 0.00 C ATOM 1440 CG PRO A 93 13.010 8.475 -11.106 1.00 0.00 C ATOM 1441 CD PRO A 93 11.867 7.816 -10.335 1.00 0.00 C ATOM 0 HA PRO A 93 13.964 8.430 -7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.760 9.464 -10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.757 7.726 -10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.716 9.446 -11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.327 7.865 -11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.908 8.251 -10.617 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.812 6.751 -10.559 1.00 0.00 H new ATOM 1449 N SER A 94 14.128 11.053 -8.196 1.00 0.00 N ATOM 1450 CA SER A 94 14.051 12.505 -8.163 1.00 0.00 C ATOM 1451 C SER A 94 15.372 13.112 -8.661 1.00 0.00 C ATOM 1452 O SER A 94 16.376 12.404 -8.817 1.00 0.00 O ATOM 1453 CB SER A 94 13.702 12.942 -6.733 1.00 0.00 C ATOM 1454 OG SER A 94 12.842 14.061 -6.769 1.00 0.00 O ATOM 0 H SER A 94 15.065 10.692 -8.017 1.00 0.00 H new ATOM 0 HA SER A 94 13.269 12.869 -8.830 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.223 12.121 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.612 13.189 -6.187 1.00 0.00 H new ATOM 0 HG SER A 94 12.622 14.334 -5.854 1.00 0.00 H new ATOM 1460 N SER A 95 15.388 14.421 -8.906 1.00 0.00 N ATOM 1461 CA SER A 95 16.557 15.191 -9.317 1.00 0.00 C ATOM 1462 C SER A 95 16.361 16.634 -8.850 1.00 0.00 C ATOM 1463 O SER A 95 15.345 17.251 -9.181 1.00 0.00 O ATOM 1464 CB SER A 95 16.763 15.110 -10.839 1.00 0.00 C ATOM 1465 OG SER A 95 15.549 14.995 -11.565 1.00 0.00 O ATOM 0 H SER A 95 14.551 14.997 -8.819 1.00 0.00 H new ATOM 0 HA SER A 95 17.458 14.780 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.296 16.000 -11.174 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.397 14.254 -11.068 1.00 0.00 H new ATOM 0 HG SER A 95 15.745 14.950 -12.524 1.00 0.00 H new ATOM 1471 N GLY A 96 17.304 17.140 -8.057 1.00 0.00 N ATOM 1472 CA GLY A 96 17.246 18.409 -7.356 1.00 0.00 C ATOM 1473 C GLY A 96 18.158 18.336 -6.151 1.00 0.00 C ATOM 1474 O GLY A 96 18.782 19.351 -5.794 1.00 0.00 O ATOM 0 H GLY A 96 18.176 16.642 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.555 19.220 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.224 18.623 -7.044 1.00 0.00 H new TER 1478 GLY A 96