USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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+ 178:sc= 0 (180deg=-0.00344) 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= -0.0628 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 114:sc= 0.0151 USER MOD Single : A 13 THR OG1 : rot 154:sc= 1.01 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot -165:sc= 0.603 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 42:sc= 0.136 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.124 F(o=-1.9,f=-0.12) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.422 13.700 -6.319 1.00 0.00 N ATOM 2 CA GLY A 1 -6.604 13.573 -7.511 1.00 0.00 C ATOM 3 C GLY A 1 -5.450 14.555 -7.530 1.00 0.00 C ATOM 4 O GLY A 1 -5.189 15.199 -8.547 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.216 13.031 -6.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.846 13.491 -5.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.791 14.670 -6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.214 12.557 -7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.225 13.730 -8.393 1.00 0.00 H new ATOM 8 N SER A 2 -4.756 14.673 -6.402 1.00 0.00 N ATOM 9 CA SER A 2 -3.626 15.588 -6.291 1.00 0.00 C ATOM 10 C SER A 2 -2.666 15.135 -5.195 1.00 0.00 C ATOM 11 O SER A 2 -3.066 14.472 -4.238 1.00 0.00 O ATOM 12 CB SER A 2 -4.118 17.006 -6.000 1.00 0.00 C ATOM 13 OG SER A 2 -3.201 17.974 -6.479 1.00 0.00 O ATOM 0 H SER A 2 -4.957 14.146 -5.552 1.00 0.00 H new ATOM 0 HA SER A 2 -3.092 15.584 -7.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.091 17.160 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.257 17.133 -4.926 1.00 0.00 H new ATOM 0 HG SER A 2 -3.540 18.872 -6.282 1.00 0.00 H new ATOM 19 N SER A 3 -1.396 15.499 -5.343 1.00 0.00 N ATOM 20 CA SER A 3 -0.376 15.128 -4.368 1.00 0.00 C ATOM 21 C SER A 3 -0.351 16.115 -3.205 1.00 0.00 C ATOM 22 O SER A 3 -0.634 17.300 -3.376 1.00 0.00 O ATOM 23 CB SER A 3 1.000 15.071 -5.034 1.00 0.00 C ATOM 24 OG SER A 3 1.136 13.903 -5.825 1.00 0.00 O ATOM 0 H SER A 3 -1.049 16.050 -6.128 1.00 0.00 H new ATOM 0 HA SER A 3 -0.624 14.141 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.143 15.954 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.778 15.090 -4.271 1.00 0.00 H new ATOM 0 HG SER A 3 2.023 13.891 -6.241 1.00 0.00 H new ATOM 30 N GLY A 4 -0.010 15.617 -2.021 1.00 0.00 N ATOM 31 CA GLY A 4 0.046 16.468 -0.846 1.00 0.00 C ATOM 32 C GLY A 4 -0.199 15.701 0.437 1.00 0.00 C ATOM 33 O GLY A 4 0.574 14.811 0.794 1.00 0.00 O ATOM 0 H GLY A 4 0.229 14.639 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.022 16.950 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.697 17.260 -0.939 1.00 0.00 H new ATOM 37 N SER A 5 -1.277 16.046 1.134 1.00 0.00 N ATOM 38 CA SER A 5 -1.619 15.387 2.389 1.00 0.00 C ATOM 39 C SER A 5 -2.460 14.139 2.137 1.00 0.00 C ATOM 40 O SER A 5 -3.474 13.916 2.797 1.00 0.00 O ATOM 41 CB SER A 5 -2.378 16.349 3.305 1.00 0.00 C ATOM 42 OG SER A 5 -3.527 16.869 2.659 1.00 0.00 O ATOM 0 H SER A 5 -1.928 16.778 0.851 1.00 0.00 H new ATOM 0 HA SER A 5 -0.691 15.087 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.673 15.831 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.722 17.167 3.602 1.00 0.00 H new ATOM 0 HG SER A 5 -3.995 17.480 3.266 1.00 0.00 H new ATOM 48 N SER A 6 -2.029 13.328 1.174 1.00 0.00 N ATOM 49 CA SER A 6 -2.743 12.104 0.830 1.00 0.00 C ATOM 50 C SER A 6 -1.896 10.875 1.142 1.00 0.00 C ATOM 51 O SER A 6 -2.386 9.892 1.696 1.00 0.00 O ATOM 52 CB SER A 6 -3.126 12.112 -0.651 1.00 0.00 C ATOM 53 OG SER A 6 -1.975 12.039 -1.475 1.00 0.00 O ATOM 0 H SER A 6 -1.190 13.497 0.619 1.00 0.00 H new ATOM 0 HA SER A 6 -3.650 12.060 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.784 11.270 -0.864 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.685 13.019 -0.881 1.00 0.00 H new ATOM 0 HG SER A 6 -2.246 12.044 -2.417 1.00 0.00 H new ATOM 59 N GLY A 7 -0.617 10.938 0.781 1.00 0.00 N ATOM 60 CA GLY A 7 0.279 9.825 1.029 1.00 0.00 C ATOM 61 C GLY A 7 1.636 10.273 1.535 1.00 0.00 C ATOM 62 O GLY A 7 2.220 11.219 1.007 1.00 0.00 O ATOM 0 H GLY A 7 -0.187 11.740 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.174 9.154 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.408 9.255 0.109 1.00 0.00 H new ATOM 66 N GLU A 8 2.137 9.596 2.563 1.00 0.00 N ATOM 67 CA GLU A 8 3.431 9.932 3.142 1.00 0.00 C ATOM 68 C GLU A 8 4.514 8.975 2.650 1.00 0.00 C ATOM 69 O GLU A 8 5.475 9.390 2.003 1.00 0.00 O ATOM 70 CB GLU A 8 3.358 9.895 4.670 1.00 0.00 C ATOM 71 CG GLU A 8 2.958 11.222 5.292 1.00 0.00 C ATOM 72 CD GLU A 8 4.108 12.209 5.350 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.202 11.818 5.808 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.914 13.372 4.939 1.00 0.00 O ATOM 0 H GLU A 8 1.665 8.811 3.012 1.00 0.00 H new ATOM 0 HA GLU A 8 3.690 10.941 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.642 9.131 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.329 9.596 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.140 11.656 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.582 11.048 6.300 1.00 0.00 H new ATOM 81 N GLU A 9 4.349 7.694 2.963 1.00 0.00 N ATOM 82 CA GLU A 9 5.312 6.679 2.554 1.00 0.00 C ATOM 83 C GLU A 9 4.787 5.878 1.366 1.00 0.00 C ATOM 84 O GLU A 9 3.838 5.104 1.494 1.00 0.00 O ATOM 85 CB GLU A 9 5.621 5.738 3.721 1.00 0.00 C ATOM 86 CG GLU A 9 6.093 6.457 4.974 1.00 0.00 C ATOM 87 CD GLU A 9 4.949 6.851 5.886 1.00 0.00 C ATOM 88 OE1 GLU A 9 3.961 6.091 5.963 1.00 0.00 O ATOM 89 OE2 GLU A 9 5.040 7.922 6.523 1.00 0.00 O ATOM 0 H GLU A 9 3.558 7.335 3.498 1.00 0.00 H new ATOM 0 HA GLU A 9 6.229 7.185 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.727 5.161 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.386 5.027 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.783 5.813 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.649 7.350 4.688 1.00 0.00 H new ATOM 96 N LYS A 10 5.412 6.069 0.209 1.00 0.00 N ATOM 97 CA LYS A 10 5.009 5.366 -1.004 1.00 0.00 C ATOM 98 C LYS A 10 5.618 3.967 -1.048 1.00 0.00 C ATOM 99 O LYS A 10 6.832 3.813 -1.180 1.00 0.00 O ATOM 100 CB LYS A 10 5.435 6.158 -2.242 1.00 0.00 C ATOM 101 CG LYS A 10 4.427 7.213 -2.665 1.00 0.00 C ATOM 102 CD LYS A 10 4.537 7.527 -4.147 1.00 0.00 C ATOM 103 CE LYS A 10 3.632 8.684 -4.541 1.00 0.00 C ATOM 104 NZ LYS A 10 4.092 9.349 -5.792 1.00 0.00 N ATOM 0 H LYS A 10 6.200 6.705 0.085 1.00 0.00 H new ATOM 0 HA LYS A 10 3.923 5.271 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.392 6.641 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.593 5.466 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.419 6.865 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.587 8.123 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.570 7.772 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.273 6.643 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.614 8.318 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.603 9.414 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.448 10.132 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.054 9.721 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.096 8.659 -6.571 1.00 0.00 H new ATOM 118 N TYR A 11 4.767 2.954 -0.939 1.00 0.00 N ATOM 119 CA TYR A 11 5.220 1.569 -0.966 1.00 0.00 C ATOM 120 C TYR A 11 4.841 0.896 -2.282 1.00 0.00 C ATOM 121 O TYR A 11 4.144 1.480 -3.112 1.00 0.00 O ATOM 122 CB TYR A 11 4.623 0.791 0.208 1.00 0.00 C ATOM 123 CG TYR A 11 5.472 0.835 1.459 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.947 2.043 1.957 1.00 0.00 C ATOM 125 CD2 TYR A 11 5.801 -0.330 2.141 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.724 2.087 3.099 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.575 -0.294 3.284 1.00 0.00 C ATOM 128 CZ TYR A 11 7.035 0.917 3.758 1.00 0.00 C ATOM 129 OH TYR A 11 7.808 0.957 4.896 1.00 0.00 O ATOM 0 H TYR A 11 3.759 3.066 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 11 6.306 1.568 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.636 1.193 0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.483 -0.248 -0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.705 2.962 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.445 -1.280 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.086 3.033 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.819 -1.209 3.804 1.00 0.00 H new ATOM 0 HH TYR A 11 7.273 0.670 5.665 1.00 0.00 H new ATOM 139 N VAL A 12 5.305 -0.336 -2.464 1.00 0.00 N ATOM 140 CA VAL A 12 5.012 -1.090 -3.678 1.00 0.00 C ATOM 141 C VAL A 12 4.573 -2.512 -3.348 1.00 0.00 C ATOM 142 O VAL A 12 4.954 -3.070 -2.318 1.00 0.00 O ATOM 143 CB VAL A 12 6.236 -1.146 -4.611 1.00 0.00 C ATOM 144 CG1 VAL A 12 7.353 -1.963 -3.979 1.00 0.00 C ATOM 145 CG2 VAL A 12 5.847 -1.718 -5.966 1.00 0.00 C ATOM 0 H VAL A 12 5.885 -0.833 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 12 4.200 -0.571 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 12 6.602 -0.131 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.209 -1.991 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.649 -1.505 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.002 -2.979 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.724 -1.750 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.455 -2.727 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.083 -1.087 -6.421 1.00 0.00 H new ATOM 155 N THR A 13 3.770 -3.097 -4.231 1.00 0.00 N ATOM 156 CA THR A 13 3.276 -4.454 -4.034 1.00 0.00 C ATOM 157 C THR A 13 4.108 -5.461 -4.822 1.00 0.00 C ATOM 158 O THR A 13 4.125 -5.438 -6.052 1.00 0.00 O ATOM 159 CB THR A 13 1.801 -4.583 -4.456 1.00 0.00 C ATOM 160 OG1 THR A 13 1.681 -4.423 -5.874 1.00 0.00 O ATOM 161 CG2 THR A 13 0.944 -3.545 -3.748 1.00 0.00 C ATOM 0 H THR A 13 3.448 -2.652 -5.090 1.00 0.00 H new ATOM 0 HA THR A 13 3.361 -4.669 -2.969 1.00 0.00 H new ATOM 0 HB THR A 13 1.450 -5.575 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.880 -4.891 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.094 -3.655 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.015 -3.689 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.296 -2.546 -4.004 1.00 0.00 H new ATOM 169 N VAL A 14 4.797 -6.343 -4.104 1.00 0.00 N ATOM 170 CA VAL A 14 5.629 -7.359 -4.737 1.00 0.00 C ATOM 171 C VAL A 14 4.817 -8.605 -5.071 1.00 0.00 C ATOM 172 O VAL A 14 5.310 -9.519 -5.731 1.00 0.00 O ATOM 173 CB VAL A 14 6.812 -7.757 -3.834 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.786 -6.597 -3.687 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.312 -8.219 -2.473 1.00 0.00 C ATOM 0 H VAL A 14 4.795 -6.374 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 14 6.015 -6.923 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 14 7.340 -8.587 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.615 -6.897 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.169 -6.317 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.273 -5.745 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.161 -8.496 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.759 -7.411 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.658 -9.082 -2.599 1.00 0.00 H new ATOM 185 N GLN A 15 3.571 -8.634 -4.609 1.00 0.00 N ATOM 186 CA GLN A 15 2.690 -9.769 -4.860 1.00 0.00 C ATOM 187 C GLN A 15 1.229 -9.331 -4.874 1.00 0.00 C ATOM 188 O GLN A 15 0.819 -8.429 -4.143 1.00 0.00 O ATOM 189 CB GLN A 15 2.902 -10.848 -3.797 1.00 0.00 C ATOM 190 CG GLN A 15 4.350 -11.287 -3.655 1.00 0.00 C ATOM 191 CD GLN A 15 4.522 -12.416 -2.658 1.00 0.00 C ATOM 192 OE1 GLN A 15 4.891 -12.192 -1.505 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.258 -13.641 -3.098 1.00 0.00 N ATOM 0 H GLN A 15 3.149 -7.885 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 15 2.936 -10.180 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.549 -10.474 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.291 -11.716 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.726 -11.605 -4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.955 -10.436 -3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.955 -13.782 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.359 -14.440 -2.472 1.00 0.00 H new ATOM 202 N PRO A 16 0.424 -9.985 -5.724 1.00 0.00 N ATOM 203 CA PRO A 16 -1.005 -9.680 -5.853 1.00 0.00 C ATOM 204 C PRO A 16 -1.801 -10.101 -4.623 1.00 0.00 C ATOM 205 O PRO A 16 -1.436 -11.051 -3.930 1.00 0.00 O ATOM 206 CB PRO A 16 -1.433 -10.500 -7.073 1.00 0.00 C ATOM 207 CG PRO A 16 -0.457 -11.623 -7.136 1.00 0.00 C ATOM 208 CD PRO A 16 0.845 -11.071 -6.624 1.00 0.00 C ATOM 0 HA PRO A 16 -1.186 -8.610 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.453 -10.868 -6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.405 -9.900 -7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.790 -12.464 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.350 -11.990 -8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.423 -11.829 -6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.471 -10.700 -7.435 1.00 0.00 H new ATOM 216 N TYR A 17 -2.890 -9.387 -4.357 1.00 0.00 N ATOM 217 CA TYR A 17 -3.736 -9.686 -3.208 1.00 0.00 C ATOM 218 C TYR A 17 -5.209 -9.703 -3.606 1.00 0.00 C ATOM 219 O TYR A 17 -5.628 -8.986 -4.516 1.00 0.00 O ATOM 220 CB TYR A 17 -3.509 -8.657 -2.099 1.00 0.00 C ATOM 221 CG TYR A 17 -4.235 -8.982 -0.814 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.765 -9.969 0.044 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.393 -8.300 -0.456 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.426 -10.269 1.219 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.060 -8.593 0.718 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.573 -9.578 1.552 1.00 0.00 C ATOM 227 OH TYR A 17 -6.234 -9.873 2.722 1.00 0.00 O ATOM 0 H TYR A 17 -3.207 -8.598 -4.921 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.466 -10.675 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.441 -8.585 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.833 -7.678 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.867 -10.511 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.777 -7.528 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.047 -11.040 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.958 -8.054 0.981 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.134 -9.486 2.696 1.00 0.00 H new ATOM 237 N THR A 18 -5.992 -10.528 -2.918 1.00 0.00 N ATOM 238 CA THR A 18 -7.418 -10.640 -3.199 1.00 0.00 C ATOM 239 C THR A 18 -8.250 -10.141 -2.024 1.00 0.00 C ATOM 240 O THR A 18 -8.203 -10.708 -0.932 1.00 0.00 O ATOM 241 CB THR A 18 -7.815 -12.095 -3.513 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.149 -12.538 -4.700 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.321 -12.218 -3.695 1.00 0.00 C ATOM 0 H THR A 18 -5.663 -11.128 -2.162 1.00 0.00 H new ATOM 0 HA THR A 18 -7.619 -10.019 -4.072 1.00 0.00 H new ATOM 0 HB THR A 18 -7.514 -12.720 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.405 -13.464 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.577 -13.254 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.825 -11.907 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.641 -11.581 -4.520 1.00 0.00 H new ATOM 251 N SER A 19 -9.014 -9.077 -2.254 1.00 0.00 N ATOM 252 CA SER A 19 -9.856 -8.500 -1.213 1.00 0.00 C ATOM 253 C SER A 19 -11.135 -9.313 -1.036 1.00 0.00 C ATOM 254 O SER A 19 -11.875 -9.540 -1.992 1.00 0.00 O ATOM 255 CB SER A 19 -10.203 -7.050 -1.555 1.00 0.00 C ATOM 256 OG SER A 19 -10.891 -6.967 -2.791 1.00 0.00 O ATOM 0 H SER A 19 -9.067 -8.597 -3.153 1.00 0.00 H new ATOM 0 HA SER A 19 -9.300 -8.522 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.819 -6.624 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.290 -6.456 -1.603 1.00 0.00 H new ATOM 0 HG SER A 19 -11.545 -7.695 -2.851 1.00 0.00 H new ATOM 262 N GLN A 20 -11.387 -9.747 0.195 1.00 0.00 N ATOM 263 CA GLN A 20 -12.577 -10.535 0.497 1.00 0.00 C ATOM 264 C GLN A 20 -13.784 -9.632 0.726 1.00 0.00 C ATOM 265 O GLN A 20 -14.887 -9.927 0.267 1.00 0.00 O ATOM 266 CB GLN A 20 -12.335 -11.405 1.732 1.00 0.00 C ATOM 267 CG GLN A 20 -11.741 -12.766 1.409 1.00 0.00 C ATOM 268 CD GLN A 20 -10.275 -12.688 1.032 1.00 0.00 C ATOM 269 OE1 GLN A 20 -9.496 -11.975 1.664 1.00 0.00 O ATOM 270 NE2 GLN A 20 -9.890 -13.423 -0.005 1.00 0.00 N ATOM 0 H GLN A 20 -10.784 -9.567 0.998 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.785 -11.178 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.666 -10.878 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.279 -11.545 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.856 -13.422 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.300 -13.217 0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.569 -14.000 -0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.915 -13.410 -0.305 1.00 0.00 H new ATOM 279 N SER A 21 -13.567 -8.529 1.436 1.00 0.00 N ATOM 280 CA SER A 21 -14.639 -7.585 1.729 1.00 0.00 C ATOM 281 C SER A 21 -14.173 -6.150 1.510 1.00 0.00 C ATOM 282 O SER A 21 -12.980 -5.888 1.353 1.00 0.00 O ATOM 283 CB SER A 21 -15.123 -7.761 3.169 1.00 0.00 C ATOM 284 OG SER A 21 -15.988 -8.878 3.284 1.00 0.00 O ATOM 0 H SER A 21 -12.658 -8.267 1.819 1.00 0.00 H new ATOM 0 HA SER A 21 -15.465 -7.789 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.266 -7.891 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.643 -6.860 3.494 1.00 0.00 H new ATOM 0 HG SER A 21 -16.282 -8.970 4.214 1.00 0.00 H new ATOM 290 N LYS A 22 -15.123 -5.221 1.499 1.00 0.00 N ATOM 291 CA LYS A 22 -14.812 -3.810 1.301 1.00 0.00 C ATOM 292 C LYS A 22 -13.672 -3.370 2.214 1.00 0.00 C ATOM 293 O LYS A 22 -12.782 -2.628 1.798 1.00 0.00 O ATOM 294 CB LYS A 22 -16.052 -2.951 1.564 1.00 0.00 C ATOM 295 CG LYS A 22 -16.610 -3.105 2.968 1.00 0.00 C ATOM 296 CD LYS A 22 -17.724 -2.107 3.237 1.00 0.00 C ATOM 297 CE LYS A 22 -19.038 -2.555 2.616 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.742 -3.553 3.468 1.00 0.00 N ATOM 0 H LYS A 22 -16.115 -5.420 1.625 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.497 -3.675 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.801 -1.904 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.826 -3.214 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.988 -4.119 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.811 -2.965 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.852 -1.985 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.445 -1.132 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.682 -1.689 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.847 -2.987 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.633 -3.833 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.138 -4.391 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.947 -3.133 4.397 1.00 0.00 H new ATOM 312 N ASP A 23 -13.706 -3.832 3.459 1.00 0.00 N ATOM 313 CA ASP A 23 -12.674 -3.487 4.430 1.00 0.00 C ATOM 314 C ASP A 23 -11.285 -3.607 3.813 1.00 0.00 C ATOM 315 O ASP A 23 -10.429 -2.747 4.018 1.00 0.00 O ATOM 316 CB ASP A 23 -12.779 -4.391 5.660 1.00 0.00 C ATOM 317 CG ASP A 23 -14.216 -4.711 6.022 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.860 -5.478 5.274 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.697 -4.197 7.053 1.00 0.00 O ATOM 0 H ASP A 23 -14.436 -4.446 3.820 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.828 -2.452 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.239 -5.319 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.293 -3.906 6.507 1.00 0.00 H new ATOM 324 N GLU A 24 -11.070 -4.679 3.056 1.00 0.00 N ATOM 325 CA GLU A 24 -9.783 -4.911 2.411 1.00 0.00 C ATOM 326 C GLU A 24 -9.829 -4.499 0.942 1.00 0.00 C ATOM 327 O GLU A 24 -10.900 -4.431 0.338 1.00 0.00 O ATOM 328 CB GLU A 24 -9.387 -6.384 2.526 1.00 0.00 C ATOM 329 CG GLU A 24 -8.830 -6.760 3.890 1.00 0.00 C ATOM 330 CD GLU A 24 -9.003 -8.234 4.204 1.00 0.00 C ATOM 331 OE1 GLU A 24 -8.974 -9.050 3.260 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.167 -8.569 5.396 1.00 0.00 O ATOM 0 H GLU A 24 -11.769 -5.399 2.875 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.036 -4.301 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.259 -7.003 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.642 -6.612 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.771 -6.506 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.328 -6.168 4.658 1.00 0.00 H new ATOM 339 N ILE A 25 -8.659 -4.224 0.374 1.00 0.00 N ATOM 340 CA ILE A 25 -8.566 -3.819 -1.024 1.00 0.00 C ATOM 341 C ILE A 25 -7.645 -4.750 -1.805 1.00 0.00 C ATOM 342 O ILE A 25 -6.558 -5.095 -1.344 1.00 0.00 O ATOM 343 CB ILE A 25 -8.051 -2.374 -1.158 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.376 -1.820 -2.547 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.552 -2.320 -0.898 1.00 0.00 C ATOM 346 CD1 ILE A 25 -8.098 -0.340 -2.687 1.00 0.00 C ATOM 0 H ILE A 25 -7.763 -4.274 0.860 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.573 -3.877 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.552 -1.755 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.793 -2.363 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.427 -2.006 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.202 -1.292 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.344 -2.679 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.034 -2.950 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.351 -0.016 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.700 0.213 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.041 -0.149 -2.499 1.00 0.00 H new ATOM 358 N GLY A 26 -8.088 -5.153 -2.992 1.00 0.00 N ATOM 359 CA GLY A 26 -7.290 -6.038 -3.820 1.00 0.00 C ATOM 360 C GLY A 26 -6.517 -5.293 -4.889 1.00 0.00 C ATOM 361 O GLY A 26 -7.079 -4.472 -5.614 1.00 0.00 O ATOM 0 H GLY A 26 -8.985 -4.882 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.592 -6.589 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.941 -6.773 -4.293 1.00 0.00 H new ATOM 365 N PHE A 27 -5.222 -5.577 -4.986 1.00 0.00 N ATOM 366 CA PHE A 27 -4.368 -4.925 -5.972 1.00 0.00 C ATOM 367 C PHE A 27 -3.552 -5.953 -6.750 1.00 0.00 C ATOM 368 O PHE A 27 -3.641 -7.153 -6.493 1.00 0.00 O ATOM 369 CB PHE A 27 -3.432 -3.926 -5.287 1.00 0.00 C ATOM 370 CG PHE A 27 -2.944 -4.386 -3.944 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.851 -5.232 -3.842 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.578 -3.975 -2.783 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.399 -5.658 -2.607 1.00 0.00 C ATOM 374 CE2 PHE A 27 -3.129 -4.397 -1.546 1.00 0.00 C ATOM 375 CZ PHE A 27 -2.039 -5.241 -1.457 1.00 0.00 C ATOM 0 H PHE A 27 -4.741 -6.254 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.009 -4.390 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.574 -3.743 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.952 -2.975 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.346 -5.562 -4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.433 -3.318 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.546 -6.317 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.631 -4.067 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.689 -5.574 -0.491 1.00 0.00 H new ATOM 385 N GLU A 28 -2.757 -5.472 -7.700 1.00 0.00 N ATOM 386 CA GLU A 28 -1.926 -6.350 -8.516 1.00 0.00 C ATOM 387 C GLU A 28 -0.449 -6.173 -8.174 1.00 0.00 C ATOM 388 O GLU A 28 -0.074 -5.256 -7.443 1.00 0.00 O ATOM 389 CB GLU A 28 -2.154 -6.068 -10.003 1.00 0.00 C ATOM 390 CG GLU A 28 -1.760 -4.661 -10.423 1.00 0.00 C ATOM 391 CD GLU A 28 -2.430 -4.229 -11.712 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.640 -3.919 -11.677 1.00 0.00 O ATOM 393 OE2 GLU A 28 -1.747 -4.198 -12.757 1.00 0.00 O ATOM 0 H GLU A 28 -2.671 -4.481 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.210 -7.380 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.585 -6.787 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.207 -6.227 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.023 -3.962 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.678 -4.612 -10.546 1.00 0.00 H new ATOM 400 N LYS A 29 0.386 -7.059 -8.709 1.00 0.00 N ATOM 401 CA LYS A 29 1.821 -7.002 -8.463 1.00 0.00 C ATOM 402 C LYS A 29 2.510 -6.081 -9.465 1.00 0.00 C ATOM 403 O LYS A 29 2.396 -6.269 -10.676 1.00 0.00 O ATOM 404 CB LYS A 29 2.428 -8.405 -8.543 1.00 0.00 C ATOM 405 CG LYS A 29 3.905 -8.409 -8.899 1.00 0.00 C ATOM 406 CD LYS A 29 4.456 -9.823 -8.977 1.00 0.00 C ATOM 407 CE LYS A 29 5.929 -9.827 -9.355 1.00 0.00 C ATOM 408 NZ LYS A 29 6.529 -11.184 -9.230 1.00 0.00 N ATOM 0 H LYS A 29 0.092 -7.825 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 29 1.977 -6.601 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.293 -8.906 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.882 -8.986 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.051 -7.907 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.461 -7.841 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.325 -10.319 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.889 -10.395 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.042 -9.473 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.470 -9.130 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.534 -11.145 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.444 -11.512 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.029 -11.844 -9.860 1.00 0.00 H new ATOM 422 N GLY A 30 3.224 -5.084 -8.951 1.00 0.00 N ATOM 423 CA GLY A 30 3.921 -4.150 -9.816 1.00 0.00 C ATOM 424 C GLY A 30 3.228 -2.804 -9.893 1.00 0.00 C ATOM 425 O GLY A 30 3.218 -2.162 -10.943 1.00 0.00 O ATOM 0 H GLY A 30 3.332 -4.907 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.939 -4.011 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.997 -4.574 -10.817 1.00 0.00 H new ATOM 429 N VAL A 31 2.646 -2.375 -8.777 1.00 0.00 N ATOM 430 CA VAL A 31 1.946 -1.097 -8.723 1.00 0.00 C ATOM 431 C VAL A 31 2.369 -0.290 -7.501 1.00 0.00 C ATOM 432 O VAL A 31 2.909 -0.838 -6.538 1.00 0.00 O ATOM 433 CB VAL A 31 0.419 -1.294 -8.691 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.099 -1.683 -10.067 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.039 -2.340 -7.655 1.00 0.00 C ATOM 0 H VAL A 31 2.646 -2.894 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 31 2.215 -0.550 -9.627 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.045 -0.349 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.180 -1.818 -10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.140 -0.896 -10.782 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.371 -2.615 -10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.044 -2.467 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.513 -3.289 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.375 -2.015 -6.670 1.00 0.00 H new ATOM 445 N THR A 32 2.121 1.015 -7.544 1.00 0.00 N ATOM 446 CA THR A 32 2.476 1.897 -6.440 1.00 0.00 C ATOM 447 C THR A 32 1.320 2.041 -5.457 1.00 0.00 C ATOM 448 O THR A 32 0.155 2.075 -5.854 1.00 0.00 O ATOM 449 CB THR A 32 2.880 3.295 -6.948 1.00 0.00 C ATOM 450 OG1 THR A 32 4.040 3.196 -7.782 1.00 0.00 O ATOM 451 CG2 THR A 32 3.166 4.231 -5.782 1.00 0.00 C ATOM 0 H THR A 32 1.675 1.485 -8.332 1.00 0.00 H new ATOM 0 HA THR A 32 3.326 1.442 -5.932 1.00 0.00 H new ATOM 0 HB THR A 32 2.051 3.702 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.290 4.088 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.449 5.212 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.273 4.326 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.981 3.826 -5.182 1.00 0.00 H new ATOM 459 N VAL A 33 1.650 2.127 -4.172 1.00 0.00 N ATOM 460 CA VAL A 33 0.639 2.270 -3.131 1.00 0.00 C ATOM 461 C VAL A 33 1.043 3.328 -2.112 1.00 0.00 C ATOM 462 O VAL A 33 2.230 3.581 -1.904 1.00 0.00 O ATOM 463 CB VAL A 33 0.393 0.936 -2.401 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.211 -0.089 -3.348 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.687 0.416 -1.795 1.00 0.00 C ATOM 0 H VAL A 33 2.610 2.100 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.282 2.581 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.317 1.110 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.377 -1.024 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.161 0.284 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.472 -0.263 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.496 -0.527 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.421 0.258 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.073 1.144 -1.082 1.00 0.00 H new ATOM 475 N GLU A 34 0.050 3.944 -1.479 1.00 0.00 N ATOM 476 CA GLU A 34 0.305 4.976 -0.481 1.00 0.00 C ATOM 477 C GLU A 34 -0.039 4.475 0.919 1.00 0.00 C ATOM 478 O GLU A 34 -1.210 4.311 1.262 1.00 0.00 O ATOM 479 CB GLU A 34 -0.506 6.235 -0.798 1.00 0.00 C ATOM 480 CG GLU A 34 0.089 7.077 -1.914 1.00 0.00 C ATOM 481 CD GLU A 34 -0.232 6.530 -3.292 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.347 6.000 -3.475 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.633 6.634 -4.187 1.00 0.00 O ATOM 0 H GLU A 34 -0.938 3.747 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 34 1.367 5.220 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.519 5.944 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.584 6.843 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.288 8.097 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.171 7.126 -1.790 1.00 0.00 H new ATOM 490 N VAL A 35 0.992 4.234 1.724 1.00 0.00 N ATOM 491 CA VAL A 35 0.800 3.752 3.087 1.00 0.00 C ATOM 492 C VAL A 35 0.321 4.872 4.003 1.00 0.00 C ATOM 493 O VAL A 35 1.105 5.726 4.419 1.00 0.00 O ATOM 494 CB VAL A 35 2.099 3.156 3.660 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.879 2.661 5.080 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.608 2.034 2.768 1.00 0.00 C ATOM 0 H VAL A 35 1.967 4.365 1.456 1.00 0.00 H new ATOM 0 HA VAL A 35 0.040 2.972 3.043 1.00 0.00 H new ATOM 0 HB VAL A 35 2.856 3.939 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.808 2.243 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.564 3.492 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.107 1.892 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.527 1.624 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.855 1.248 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.808 2.425 1.770 1.00 0.00 H new ATOM 506 N ILE A 36 -0.971 4.864 4.314 1.00 0.00 N ATOM 507 CA ILE A 36 -1.554 5.878 5.183 1.00 0.00 C ATOM 508 C ILE A 36 -1.158 5.650 6.638 1.00 0.00 C ATOM 509 O ILE A 36 -0.475 6.478 7.243 1.00 0.00 O ATOM 510 CB ILE A 36 -3.091 5.894 5.078 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.522 6.170 3.636 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.675 6.935 6.021 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.954 5.776 3.349 1.00 0.00 C ATOM 0 H ILE A 36 -1.634 4.166 3.977 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.165 6.840 4.849 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.471 4.915 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.396 7.232 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.862 5.629 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.762 6.935 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.392 6.697 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.291 7.921 5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.191 6.000 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.081 4.708 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.623 6.336 4.002 1.00 0.00 H new ATOM 525 N ARG A 37 -1.589 4.523 7.193 1.00 0.00 N ATOM 526 CA ARG A 37 -1.278 4.186 8.577 1.00 0.00 C ATOM 527 C ARG A 37 -0.500 2.875 8.656 1.00 0.00 C ATOM 528 O ARG A 37 -0.477 2.096 7.703 1.00 0.00 O ATOM 529 CB ARG A 37 -2.563 4.077 9.399 1.00 0.00 C ATOM 530 CG ARG A 37 -3.325 5.388 9.513 1.00 0.00 C ATOM 531 CD ARG A 37 -2.787 6.249 10.645 1.00 0.00 C ATOM 532 NE ARG A 37 -3.117 5.698 11.956 1.00 0.00 N ATOM 533 CZ ARG A 37 -4.278 5.903 12.568 1.00 0.00 C ATOM 534 NH1 ARG A 37 -5.215 6.641 11.989 1.00 0.00 N ATOM 535 NH2 ARG A 37 -4.505 5.368 13.761 1.00 0.00 N ATOM 0 H ARG A 37 -2.154 3.828 6.706 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.658 4.983 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.212 3.327 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.316 3.722 10.399 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.253 5.935 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.382 5.182 9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.705 6.337 10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.197 7.255 10.561 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.418 5.124 12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.045 7.053 11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.106 6.797 12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.787 4.798 14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.397 5.526 14.230 1.00 0.00 H new ATOM 549 N LYS A 38 0.137 2.639 9.798 1.00 0.00 N ATOM 550 CA LYS A 38 0.916 1.423 10.003 1.00 0.00 C ATOM 551 C LYS A 38 0.576 0.780 11.343 1.00 0.00 C ATOM 552 O LYS A 38 0.523 1.454 12.371 1.00 0.00 O ATOM 553 CB LYS A 38 2.412 1.735 9.939 1.00 0.00 C ATOM 554 CG LYS A 38 2.919 1.998 8.531 1.00 0.00 C ATOM 555 CD LYS A 38 4.362 2.475 8.539 1.00 0.00 C ATOM 556 CE LYS A 38 4.448 3.991 8.637 1.00 0.00 C ATOM 557 NZ LYS A 38 5.692 4.432 9.328 1.00 0.00 N ATOM 0 H LYS A 38 0.129 3.274 10.596 1.00 0.00 H new ATOM 0 HA LYS A 38 0.664 0.720 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.620 2.607 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.967 0.900 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.839 1.087 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.290 2.747 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.890 2.025 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.862 2.139 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.416 4.422 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.579 4.370 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.714 5.471 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.711 4.042 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.521 4.092 8.800 1.00 0.00 H new ATOM 571 N ASN A 39 0.348 -0.530 11.325 1.00 0.00 N ATOM 572 CA ASN A 39 0.015 -1.265 12.539 1.00 0.00 C ATOM 573 C ASN A 39 1.086 -2.306 12.857 1.00 0.00 C ATOM 574 O ASN A 39 1.858 -2.704 11.983 1.00 0.00 O ATOM 575 CB ASN A 39 -1.346 -1.947 12.391 1.00 0.00 C ATOM 576 CG ASN A 39 -2.059 -2.111 13.719 1.00 0.00 C ATOM 577 OD1 ASN A 39 -1.851 -3.252 14.366 1.00 0.00 O flip ATOM 578 ND2 ASN A 39 -2.787 -1.222 14.160 1.00 0.00 N flip ATOM 0 H ASN A 39 0.388 -1.104 10.483 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.031 -0.553 13.363 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.971 -1.362 11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.210 -2.926 11.931 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.919 -0.361 13.630 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.258 -1.346 15.056 1.00 0.00 H new ATOM 585 N LEU A 40 1.126 -2.741 14.111 1.00 0.00 N ATOM 586 CA LEU A 40 2.101 -3.736 14.544 1.00 0.00 C ATOM 587 C LEU A 40 1.589 -5.149 14.287 1.00 0.00 C ATOM 588 O LEU A 40 2.295 -5.981 13.717 1.00 0.00 O ATOM 589 CB LEU A 40 2.413 -3.559 16.031 1.00 0.00 C ATOM 590 CG LEU A 40 3.525 -2.564 16.370 1.00 0.00 C ATOM 591 CD1 LEU A 40 4.883 -3.135 15.999 1.00 0.00 C ATOM 592 CD2 LEU A 40 3.288 -1.239 15.658 1.00 0.00 C ATOM 0 H LEU A 40 0.495 -2.421 14.846 1.00 0.00 H new ATOM 0 HA LEU A 40 3.013 -3.589 13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.502 -3.241 16.538 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.684 -4.531 16.443 1.00 0.00 H new ATOM 0 HG LEU A 40 3.512 -2.384 17.445 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.661 -2.413 16.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.053 -4.058 16.553 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.910 -3.344 14.930 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.088 -0.543 15.910 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.275 -1.402 14.580 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.331 -0.822 15.973 1.00 0.00 H new ATOM 604 N GLU A 41 0.355 -5.412 14.707 1.00 0.00 N ATOM 605 CA GLU A 41 -0.252 -6.724 14.519 1.00 0.00 C ATOM 606 C GLU A 41 0.074 -7.282 13.137 1.00 0.00 C ATOM 607 O GLU A 41 0.557 -8.406 13.006 1.00 0.00 O ATOM 608 CB GLU A 41 -1.768 -6.641 14.704 1.00 0.00 C ATOM 609 CG GLU A 41 -2.215 -6.788 16.149 1.00 0.00 C ATOM 610 CD GLU A 41 -1.566 -5.770 17.067 1.00 0.00 C ATOM 611 OE1 GLU A 41 -0.470 -6.058 17.594 1.00 0.00 O ATOM 612 OE2 GLU A 41 -2.154 -4.685 17.257 1.00 0.00 O ATOM 0 H GLU A 41 -0.243 -4.734 15.179 1.00 0.00 H new ATOM 0 HA GLU A 41 0.161 -7.398 15.270 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.120 -5.684 14.319 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.242 -7.419 14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.298 -6.682 16.203 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.976 -7.792 16.499 1.00 0.00 H new ATOM 619 N GLY A 42 -0.197 -6.486 12.106 1.00 0.00 N ATOM 620 CA GLY A 42 0.072 -6.917 10.747 1.00 0.00 C ATOM 621 C GLY A 42 -0.910 -6.337 9.750 1.00 0.00 C ATOM 622 O GLY A 42 -1.291 -7.000 8.785 1.00 0.00 O ATOM 0 H GLY A 42 -0.598 -5.552 12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.084 -6.622 10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.033 -8.005 10.700 1.00 0.00 H new ATOM 626 N TRP A 43 -1.323 -5.095 9.982 1.00 0.00 N ATOM 627 CA TRP A 43 -2.269 -4.427 9.097 1.00 0.00 C ATOM 628 C TRP A 43 -1.784 -3.026 8.740 1.00 0.00 C ATOM 629 O TRP A 43 -1.646 -2.167 9.611 1.00 0.00 O ATOM 630 CB TRP A 43 -3.649 -4.350 9.754 1.00 0.00 C ATOM 631 CG TRP A 43 -4.516 -5.534 9.451 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.139 -6.346 10.355 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.856 -6.038 8.156 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.846 -7.325 9.700 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.689 -7.158 8.349 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.541 -5.652 6.850 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.207 -7.893 7.287 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.054 -6.383 5.796 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.881 -7.493 6.019 1.00 0.00 C ATOM 0 H TRP A 43 -1.017 -4.531 10.775 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.344 -5.011 8.180 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.526 -4.265 10.834 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.153 -3.444 9.419 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.084 -6.235 11.428 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.398 -8.057 10.147 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.907 -4.797 6.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.844 -8.749 7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.814 -6.095 4.783 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.268 -8.043 5.174 1.00 0.00 H new ATOM 650 N TRP A 44 -1.529 -2.802 7.456 1.00 0.00 N ATOM 651 CA TRP A 44 -1.060 -1.504 6.986 1.00 0.00 C ATOM 652 C TRP A 44 -2.075 -0.866 6.042 1.00 0.00 C ATOM 653 O TRP A 44 -2.242 -1.308 4.906 1.00 0.00 O ATOM 654 CB TRP A 44 0.288 -1.652 6.279 1.00 0.00 C ATOM 655 CG TRP A 44 1.454 -1.678 7.222 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.489 -2.242 8.466 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.751 -1.115 6.997 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.730 -2.063 9.027 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.522 -1.375 8.146 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.336 -0.418 5.937 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.847 -0.962 8.263 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.650 -0.008 6.055 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.394 -0.281 7.210 1.00 0.00 C ATOM 0 H TRP A 44 -1.639 -3.502 6.722 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.940 -0.854 7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.284 -2.571 5.693 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.415 -0.827 5.578 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.663 -2.753 8.938 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.016 -2.390 9.950 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.771 -0.204 5.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.422 -1.172 9.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.112 0.533 5.242 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.419 0.053 7.270 1.00 0.00 H new ATOM 674 N TYR A 45 -2.749 0.173 6.522 1.00 0.00 N ATOM 675 CA TYR A 45 -3.749 0.869 5.721 1.00 0.00 C ATOM 676 C TYR A 45 -3.099 1.599 4.550 1.00 0.00 C ATOM 677 O TYR A 45 -2.332 2.543 4.742 1.00 0.00 O ATOM 678 CB TYR A 45 -4.526 1.861 6.588 1.00 0.00 C ATOM 679 CG TYR A 45 -5.949 2.085 6.126 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.833 1.022 5.996 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.408 3.361 5.821 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.133 1.222 5.573 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.707 3.569 5.399 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.565 2.497 5.276 1.00 0.00 C ATOM 685 OH TYR A 45 -9.860 2.700 4.857 1.00 0.00 O ATOM 0 H TYR A 45 -2.621 0.552 7.461 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.440 0.126 5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.539 1.499 7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.000 2.816 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.499 0.022 6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.739 4.203 5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.807 0.384 5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.049 4.567 5.167 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.004 3.655 4.690 1.00 0.00 H new ATOM 695 N ILE A 46 -3.411 1.156 3.337 1.00 0.00 N ATOM 696 CA ILE A 46 -2.859 1.768 2.135 1.00 0.00 C ATOM 697 C ILE A 46 -3.967 2.299 1.231 1.00 0.00 C ATOM 698 O ILE A 46 -5.133 1.937 1.382 1.00 0.00 O ATOM 699 CB ILE A 46 -1.998 0.769 1.340 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.858 -0.393 0.837 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.854 0.254 2.201 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.351 -1.006 -0.450 1.00 0.00 C ATOM 0 H ILE A 46 -4.043 0.375 3.161 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.231 2.597 2.462 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.575 1.283 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.898 -1.164 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.878 -0.040 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.254 -0.451 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.229 1.090 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.258 -0.247 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.008 -1.823 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.337 -0.248 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.342 -1.389 -0.298 1.00 0.00 H new ATOM 714 N ARG A 47 -3.592 3.159 0.290 1.00 0.00 N ATOM 715 CA ARG A 47 -4.553 3.741 -0.640 1.00 0.00 C ATOM 716 C ARG A 47 -4.149 3.461 -2.085 1.00 0.00 C ATOM 717 O ARG A 47 -3.071 3.858 -2.527 1.00 0.00 O ATOM 718 CB ARG A 47 -4.665 5.250 -0.414 1.00 0.00 C ATOM 719 CG ARG A 47 -5.608 5.943 -1.383 1.00 0.00 C ATOM 720 CD ARG A 47 -5.391 7.447 -1.393 1.00 0.00 C ATOM 721 NE ARG A 47 -6.336 8.131 -2.272 1.00 0.00 N ATOM 722 CZ ARG A 47 -7.597 8.382 -1.941 1.00 0.00 C ATOM 723 NH1 ARG A 47 -8.062 8.008 -0.757 1.00 0.00 N ATOM 724 NH2 ARG A 47 -8.396 9.010 -2.795 1.00 0.00 N ATOM 0 H ARG A 47 -2.630 3.468 0.151 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.523 3.280 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.007 5.432 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.675 5.696 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.456 5.546 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.640 5.725 -1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.493 7.835 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.373 7.664 -1.716 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.009 8.432 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.451 7.526 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.031 8.202 -0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.041 9.300 -3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.365 9.202 -2.540 1.00 0.00 H new ATOM 738 N TYR A 48 -5.021 2.774 -2.814 1.00 0.00 N ATOM 739 CA TYR A 48 -4.755 2.437 -4.207 1.00 0.00 C ATOM 740 C TYR A 48 -5.954 2.777 -5.088 1.00 0.00 C ATOM 741 O TYR A 48 -7.084 2.387 -4.796 1.00 0.00 O ATOM 742 CB TYR A 48 -4.414 0.951 -4.340 1.00 0.00 C ATOM 743 CG TYR A 48 -4.321 0.478 -5.772 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.490 1.116 -6.684 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.064 -0.611 -6.213 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.403 0.687 -7.994 1.00 0.00 C ATOM 747 CE2 TYR A 48 -4.982 -1.049 -7.521 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.150 -0.397 -8.408 1.00 0.00 C ATOM 749 OH TYR A 48 -4.064 -0.830 -9.712 1.00 0.00 O ATOM 0 H TYR A 48 -5.918 2.439 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.902 3.029 -4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.465 0.758 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.172 0.365 -3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.901 1.963 -6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.716 -1.123 -5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.754 1.197 -8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.566 -1.897 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.652 -1.603 -9.839 1.00 0.00 H new ATOM 759 N LEU A 49 -5.697 3.504 -6.170 1.00 0.00 N ATOM 760 CA LEU A 49 -6.754 3.897 -7.096 1.00 0.00 C ATOM 761 C LEU A 49 -7.796 4.765 -6.398 1.00 0.00 C ATOM 762 O LEU A 49 -8.991 4.655 -6.665 1.00 0.00 O ATOM 763 CB LEU A 49 -7.424 2.657 -7.692 1.00 0.00 C ATOM 764 CG LEU A 49 -6.573 1.833 -8.658 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.343 0.614 -9.141 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.126 2.686 -9.836 1.00 0.00 C ATOM 0 H LEU A 49 -4.767 3.833 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.301 4.480 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.738 2.010 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.328 2.972 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.685 1.489 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.721 0.040 -9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.612 -0.008 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.249 0.936 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.521 2.083 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.001 3.060 -10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.535 3.527 -9.473 1.00 0.00 H new ATOM 778 N GLY A 50 -7.331 5.632 -5.503 1.00 0.00 N ATOM 779 CA GLY A 50 -8.236 6.509 -4.782 1.00 0.00 C ATOM 780 C GLY A 50 -9.133 5.754 -3.821 1.00 0.00 C ATOM 781 O GLY A 50 -10.203 6.236 -3.449 1.00 0.00 O ATOM 0 H GLY A 50 -6.345 5.743 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.657 7.248 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.852 7.056 -5.496 1.00 0.00 H new ATOM 785 N LYS A 51 -8.698 4.565 -3.419 1.00 0.00 N ATOM 786 CA LYS A 51 -9.469 3.740 -2.496 1.00 0.00 C ATOM 787 C LYS A 51 -8.618 3.319 -1.303 1.00 0.00 C ATOM 788 O LYS A 51 -7.473 2.898 -1.463 1.00 0.00 O ATOM 789 CB LYS A 51 -10.006 2.500 -3.215 1.00 0.00 C ATOM 790 CG LYS A 51 -11.228 2.777 -4.073 1.00 0.00 C ATOM 791 CD LYS A 51 -12.510 2.691 -3.262 1.00 0.00 C ATOM 792 CE LYS A 51 -13.740 2.798 -4.151 1.00 0.00 C ATOM 793 NZ LYS A 51 -14.982 2.400 -3.431 1.00 0.00 N ATOM 0 H LYS A 51 -7.815 4.151 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.308 4.333 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.218 2.085 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.257 1.741 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.144 3.768 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.267 2.061 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.535 1.747 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.526 3.488 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.841 3.822 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.610 2.164 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.797 2.487 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.897 1.414 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.120 3.021 -2.608 1.00 0.00 H new ATOM 807 N GLU A 52 -9.187 3.435 -0.106 1.00 0.00 N ATOM 808 CA GLU A 52 -8.479 3.066 1.114 1.00 0.00 C ATOM 809 C GLU A 52 -8.979 1.726 1.649 1.00 0.00 C ATOM 810 O GLU A 52 -10.179 1.522 1.818 1.00 0.00 O ATOM 811 CB GLU A 52 -8.655 4.149 2.180 1.00 0.00 C ATOM 812 CG GLU A 52 -8.052 5.488 1.791 1.00 0.00 C ATOM 813 CD GLU A 52 -8.543 6.625 2.666 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.662 7.121 2.421 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.808 7.019 3.595 1.00 0.00 O ATOM 0 H GLU A 52 -10.135 3.781 0.044 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.420 2.971 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.718 4.283 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.198 3.810 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.966 5.426 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.296 5.704 0.751 1.00 0.00 H new ATOM 822 N GLY A 53 -8.046 0.816 1.912 1.00 0.00 N ATOM 823 CA GLY A 53 -8.410 -0.493 2.423 1.00 0.00 C ATOM 824 C GLY A 53 -7.313 -1.112 3.265 1.00 0.00 C ATOM 825 O GLY A 53 -6.219 -0.559 3.375 1.00 0.00 O ATOM 0 H GLY A 53 -7.045 0.962 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.318 -0.407 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.640 -1.155 1.588 1.00 0.00 H new ATOM 829 N TRP A 54 -7.605 -2.261 3.862 1.00 0.00 N ATOM 830 CA TRP A 54 -6.635 -2.955 4.701 1.00 0.00 C ATOM 831 C TRP A 54 -5.842 -3.974 3.889 1.00 0.00 C ATOM 832 O TRP A 54 -6.411 -4.903 3.317 1.00 0.00 O ATOM 833 CB TRP A 54 -7.342 -3.653 5.866 1.00 0.00 C ATOM 834 CG TRP A 54 -7.558 -2.759 7.049 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.749 -2.478 7.656 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.558 -2.029 7.767 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.549 -1.618 8.709 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.213 -1.328 8.798 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.173 -1.902 7.641 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.529 -0.511 9.694 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.494 -1.091 8.530 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.173 -0.405 9.547 1.00 0.00 C ATOM 0 H TRP A 54 -8.506 -2.732 3.781 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.941 -2.214 5.098 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.306 -4.030 5.524 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.753 -4.517 6.175 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.707 -2.874 7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.277 -1.255 9.324 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.642 -2.429 6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.050 0.020 10.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.423 -0.984 8.440 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.614 0.220 10.228 1.00 0.00 H new ATOM 853 N ALA A 55 -4.526 -3.792 3.844 1.00 0.00 N ATOM 854 CA ALA A 55 -3.656 -4.697 3.103 1.00 0.00 C ATOM 855 C ALA A 55 -2.544 -5.241 3.994 1.00 0.00 C ATOM 856 O ALA A 55 -2.028 -4.553 4.874 1.00 0.00 O ATOM 857 CB ALA A 55 -3.066 -3.989 1.893 1.00 0.00 C ATOM 0 H ALA A 55 -4.040 -3.027 4.311 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.257 -5.539 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.418 -4.677 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.871 -3.654 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.485 -3.128 2.223 1.00 0.00 H new ATOM 863 N PRO A 56 -2.167 -6.507 3.762 1.00 0.00 N ATOM 864 CA PRO A 56 -1.112 -7.172 4.534 1.00 0.00 C ATOM 865 C PRO A 56 0.270 -6.602 4.237 1.00 0.00 C ATOM 866 O PRO A 56 0.751 -6.671 3.106 1.00 0.00 O ATOM 867 CB PRO A 56 -1.200 -8.629 4.072 1.00 0.00 C ATOM 868 CG PRO A 56 -1.797 -8.560 2.710 1.00 0.00 C ATOM 869 CD PRO A 56 -2.739 -7.387 2.729 1.00 0.00 C ATOM 0 HA PRO A 56 -1.248 -7.042 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.216 -9.097 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.819 -9.221 4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.025 -8.428 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.326 -9.482 2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.784 -6.892 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.755 -7.692 2.978 1.00 0.00 H new ATOM 877 N ALA A 57 0.905 -6.039 5.260 1.00 0.00 N ATOM 878 CA ALA A 57 2.234 -5.460 5.110 1.00 0.00 C ATOM 879 C ALA A 57 3.177 -6.426 4.400 1.00 0.00 C ATOM 880 O ALA A 57 4.196 -6.017 3.844 1.00 0.00 O ATOM 881 CB ALA A 57 2.798 -5.071 6.468 1.00 0.00 C ATOM 0 H ALA A 57 0.520 -5.972 6.202 1.00 0.00 H new ATOM 0 HA ALA A 57 2.145 -4.563 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.791 -4.640 6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.142 -4.338 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.866 -5.956 7.101 1.00 0.00 H new ATOM 887 N SER A 58 2.831 -7.709 4.425 1.00 0.00 N ATOM 888 CA SER A 58 3.650 -8.733 3.788 1.00 0.00 C ATOM 889 C SER A 58 3.762 -8.484 2.287 1.00 0.00 C ATOM 890 O SER A 58 4.830 -8.644 1.698 1.00 0.00 O ATOM 891 CB SER A 58 3.057 -10.121 4.044 1.00 0.00 C ATOM 892 OG SER A 58 3.145 -10.469 5.414 1.00 0.00 O ATOM 0 H SER A 58 1.990 -8.064 4.879 1.00 0.00 H new ATOM 0 HA SER A 58 4.649 -8.686 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.014 -10.138 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.585 -10.862 3.443 1.00 0.00 H new ATOM 0 HG SER A 58 2.758 -11.359 5.551 1.00 0.00 H new ATOM 898 N TYR A 59 2.650 -8.092 1.675 1.00 0.00 N ATOM 899 CA TYR A 59 2.621 -7.822 0.242 1.00 0.00 C ATOM 900 C TYR A 59 2.929 -6.355 -0.043 1.00 0.00 C ATOM 901 O TYR A 59 2.501 -5.804 -1.058 1.00 0.00 O ATOM 902 CB TYR A 59 1.256 -8.190 -0.340 1.00 0.00 C ATOM 903 CG TYR A 59 0.975 -9.676 -0.332 1.00 0.00 C ATOM 904 CD1 TYR A 59 1.050 -10.411 0.846 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.635 -10.345 -1.501 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.795 -11.768 0.858 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.377 -11.702 -1.497 1.00 0.00 C ATOM 908 CZ TYR A 59 0.458 -12.409 -0.316 1.00 0.00 C ATOM 909 OH TYR A 59 0.203 -13.762 -0.309 1.00 0.00 O ATOM 0 H TYR A 59 1.757 -7.954 2.148 1.00 0.00 H new ATOM 0 HA TYR A 59 3.388 -8.434 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.479 -7.679 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.196 -7.823 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.312 -9.912 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.571 -9.795 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.859 -12.324 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.113 -12.207 -2.415 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.021 -14.057 -1.216 1.00 0.00 H new ATOM 919 N LEU A 60 3.674 -5.727 0.861 1.00 0.00 N ATOM 920 CA LEU A 60 4.041 -4.323 0.708 1.00 0.00 C ATOM 921 C LEU A 60 5.485 -4.089 1.140 1.00 0.00 C ATOM 922 O LEU A 60 5.973 -4.715 2.081 1.00 0.00 O ATOM 923 CB LEU A 60 3.101 -3.438 1.528 1.00 0.00 C ATOM 924 CG LEU A 60 1.605 -3.694 1.341 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.809 -3.060 2.471 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.137 -3.161 -0.006 1.00 0.00 C ATOM 0 H LEU A 60 4.035 -6.168 1.707 1.00 0.00 H new ATOM 0 HA LEU A 60 3.949 -4.061 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.342 -3.566 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.305 -2.397 1.279 1.00 0.00 H new ATOM 0 HG LEU A 60 1.435 -4.770 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.253 -3.253 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.124 -3.488 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.985 -1.984 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.070 -3.352 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.321 -2.088 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.684 -3.661 -0.805 1.00 0.00 H new ATOM 938 N LYS A 61 6.164 -3.180 0.448 1.00 0.00 N ATOM 939 CA LYS A 61 7.551 -2.858 0.762 1.00 0.00 C ATOM 940 C LYS A 61 7.885 -1.429 0.345 1.00 0.00 C ATOM 941 O LYS A 61 7.523 -0.989 -0.747 1.00 0.00 O ATOM 942 CB LYS A 61 8.494 -3.838 0.061 1.00 0.00 C ATOM 943 CG LYS A 61 8.573 -3.638 -1.443 1.00 0.00 C ATOM 944 CD LYS A 61 9.567 -4.593 -2.082 1.00 0.00 C ATOM 945 CE LYS A 61 10.996 -4.100 -1.919 1.00 0.00 C ATOM 946 NZ LYS A 61 11.982 -5.054 -2.499 1.00 0.00 N ATOM 0 H LYS A 61 5.776 -2.653 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 61 7.683 -2.944 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.493 -3.735 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.164 -4.856 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.587 -3.789 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.864 -2.610 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.468 -5.580 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.338 -4.703 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.102 -3.129 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.211 -3.954 -0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.944 -4.682 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.898 -5.974 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.793 -5.174 -3.515 1.00 0.00 H new ATOM 960 N LYS A 62 8.578 -0.709 1.221 1.00 0.00 N ATOM 961 CA LYS A 62 8.963 0.669 0.943 1.00 0.00 C ATOM 962 C LYS A 62 9.689 0.772 -0.395 1.00 0.00 C ATOM 963 O LYS A 62 10.737 0.159 -0.592 1.00 0.00 O ATOM 964 CB LYS A 62 9.858 1.204 2.064 1.00 0.00 C ATOM 965 CG LYS A 62 10.315 2.637 1.845 1.00 0.00 C ATOM 966 CD LYS A 62 9.278 3.634 2.336 1.00 0.00 C ATOM 967 CE LYS A 62 9.627 5.053 1.917 1.00 0.00 C ATOM 968 NZ LYS A 62 10.472 5.739 2.934 1.00 0.00 N ATOM 0 H LYS A 62 8.884 -1.057 2.129 1.00 0.00 H new ATOM 0 HA LYS A 62 8.056 1.271 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.318 1.144 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.734 0.562 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.257 2.803 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.505 2.801 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.299 3.367 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.207 3.581 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.153 5.031 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.710 5.622 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.689 6.704 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.960 5.783 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.358 5.210 3.063 1.00 0.00 H new ATOM 982 N ALA A 63 9.124 1.552 -1.309 1.00 0.00 N ATOM 983 CA ALA A 63 9.719 1.739 -2.627 1.00 0.00 C ATOM 984 C ALA A 63 10.631 2.961 -2.650 1.00 0.00 C ATOM 985 O ALA A 63 10.764 3.669 -1.651 1.00 0.00 O ATOM 986 CB ALA A 63 8.632 1.870 -3.683 1.00 0.00 C ATOM 0 H ALA A 63 8.255 2.065 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 63 10.325 0.862 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.091 2.009 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.023 0.966 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.002 2.729 -3.452 1.00 0.00 H new ATOM 992 N LYS A 64 11.258 3.204 -3.796 1.00 0.00 N ATOM 993 CA LYS A 64 12.157 4.342 -3.951 1.00 0.00 C ATOM 994 C LYS A 64 11.825 5.132 -5.212 1.00 0.00 C ATOM 995 O LYS A 64 11.964 4.628 -6.326 1.00 0.00 O ATOM 996 CB LYS A 64 13.611 3.865 -4.003 1.00 0.00 C ATOM 997 CG LYS A 64 13.792 2.544 -4.730 1.00 0.00 C ATOM 998 CD LYS A 64 15.258 2.163 -4.840 1.00 0.00 C ATOM 999 CE LYS A 64 15.431 0.771 -5.427 1.00 0.00 C ATOM 1000 NZ LYS A 64 15.359 -0.286 -4.381 1.00 0.00 N ATOM 0 H LYS A 64 11.160 2.628 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 64 12.025 4.997 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.217 4.626 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.988 3.765 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.250 1.760 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.358 2.614 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.778 2.889 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.720 2.203 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.659 0.594 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.391 0.710 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.482 -1.220 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.112 -0.133 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.433 -0.245 -3.909 1.00 0.00 H new ATOM 1014 N ASP A 65 11.384 6.372 -5.029 1.00 0.00 N ATOM 1015 CA ASP A 65 11.033 7.233 -6.152 1.00 0.00 C ATOM 1016 C ASP A 65 12.286 7.758 -6.846 1.00 0.00 C ATOM 1017 O ASP A 65 13.366 7.795 -6.255 1.00 0.00 O ATOM 1018 CB ASP A 65 10.170 8.401 -5.677 1.00 0.00 C ATOM 1019 CG ASP A 65 9.669 9.257 -6.825 1.00 0.00 C ATOM 1020 OD1 ASP A 65 9.349 8.690 -7.890 1.00 0.00 O ATOM 1021 OD2 ASP A 65 9.600 10.492 -6.658 1.00 0.00 O ATOM 0 H ASP A 65 11.261 6.803 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 65 10.464 6.640 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.318 8.015 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.748 9.020 -4.991 1.00 0.00 H new ATOM 1026 N SER A 66 12.135 8.164 -8.103 1.00 0.00 N ATOM 1027 CA SER A 66 13.256 8.683 -8.879 1.00 0.00 C ATOM 1028 C SER A 66 13.612 10.099 -8.438 1.00 0.00 C ATOM 1029 O SER A 66 14.754 10.380 -8.079 1.00 0.00 O ATOM 1030 CB SER A 66 12.918 8.671 -10.371 1.00 0.00 C ATOM 1031 OG SER A 66 14.095 8.610 -11.158 1.00 0.00 O ATOM 0 H SER A 66 11.248 8.144 -8.606 1.00 0.00 H new ATOM 0 HA SER A 66 14.118 8.039 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.281 7.816 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.351 9.567 -10.626 1.00 0.00 H new ATOM 0 HG SER A 66 13.853 8.602 -12.108 1.00 0.00 H new ATOM 1037 N GLY A 67 12.623 10.988 -8.467 1.00 0.00 N ATOM 1038 CA GLY A 67 12.852 12.364 -8.067 1.00 0.00 C ATOM 1039 C GLY A 67 13.776 13.098 -9.020 1.00 0.00 C ATOM 1040 O GLY A 67 13.939 12.715 -10.179 1.00 0.00 O ATOM 0 H GLY A 67 11.668 10.780 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.898 12.888 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.280 12.382 -7.065 1.00 0.00 H new ATOM 1044 N PRO A 68 14.398 14.180 -8.529 1.00 0.00 N ATOM 1045 CA PRO A 68 15.320 14.993 -9.329 1.00 0.00 C ATOM 1046 C PRO A 68 16.622 14.261 -9.634 1.00 0.00 C ATOM 1047 O PRO A 68 17.408 13.971 -8.732 1.00 0.00 O ATOM 1048 CB PRO A 68 15.585 16.208 -8.436 1.00 0.00 C ATOM 1049 CG PRO A 68 15.342 15.721 -7.050 1.00 0.00 C ATOM 1050 CD PRO A 68 14.249 14.694 -7.158 1.00 0.00 C ATOM 0 HA PRO A 68 14.902 15.246 -10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.606 16.571 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.921 17.036 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 68 16.246 15.285 -6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.045 16.540 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 68 14.366 13.903 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.265 15.136 -6.999 1.00 0.00 H new ATOM 1058 N SER A 69 16.844 13.965 -10.910 1.00 0.00 N ATOM 1059 CA SER A 69 18.051 13.264 -11.334 1.00 0.00 C ATOM 1060 C SER A 69 19.263 14.189 -11.284 1.00 0.00 C ATOM 1061 O SER A 69 20.314 13.825 -10.757 1.00 0.00 O ATOM 1062 CB SER A 69 17.875 12.711 -12.749 1.00 0.00 C ATOM 1063 OG SER A 69 19.055 12.068 -13.196 1.00 0.00 O ATOM 0 H SER A 69 16.204 14.199 -11.669 1.00 0.00 H new ATOM 0 HA SER A 69 18.220 12.435 -10.646 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.044 12.006 -12.766 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.619 13.522 -13.430 1.00 0.00 H new ATOM 0 HG SER A 69 18.916 11.722 -14.102 1.00 0.00 H new ATOM 1069 N SER A 70 19.107 15.387 -11.839 1.00 0.00 N ATOM 1070 CA SER A 70 20.189 16.365 -11.861 1.00 0.00 C ATOM 1071 C SER A 70 20.040 17.369 -10.722 1.00 0.00 C ATOM 1072 O SER A 70 18.986 17.982 -10.555 1.00 0.00 O ATOM 1073 CB SER A 70 20.213 17.099 -13.203 1.00 0.00 C ATOM 1074 OG SER A 70 20.184 16.185 -14.285 1.00 0.00 O ATOM 0 H SER A 70 18.243 15.703 -12.279 1.00 0.00 H new ATOM 0 HA SER A 70 21.130 15.831 -11.729 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.358 17.772 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.109 17.716 -13.268 1.00 0.00 H new ATOM 0 HG SER A 70 20.198 16.679 -15.131 1.00 0.00 H new ATOM 1080 N GLY A 71 21.103 17.529 -9.941 1.00 0.00 N ATOM 1081 CA GLY A 71 21.070 18.460 -8.827 1.00 0.00 C ATOM 1082 C GLY A 71 22.039 19.611 -9.004 1.00 0.00 C ATOM 1083 O GLY A 71 23.034 19.490 -9.718 1.00 0.00 O ATOM 0 H GLY A 71 21.986 17.032 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.060 18.854 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.307 17.928 -7.906 1.00 0.00 H new TER 1087 GLY A 71