USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 MET CE :methyl -138:sc= -0.659 (180deg=-2.79!) USER MOD Set 1.2: A 88 TYR OH : rot -140:sc= -0.379 USER MOD Set 2.1: A 36 MET CE :methyl -165:sc= -10.3! (180deg=-11.2!) USER MOD Set 2.2: A 57 TYR OH : rot 3:sc= -1.27 USER MOD Set 3.1: A 28 SER OG : rot 119:sc= 0.248 USER MOD Set 3.2: A 78 HIS : no HD1:sc= -1.37! X(o=-1.1!,f=-0.66) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.059 (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 15:sc= 0.205! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 90:sc= -0.375 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -95:sc= 0.00127 USER MOD Single : A 26 SER OG : rot 153:sc= 0.136 USER MOD Single : A 30 GLN : amide:sc= -1! X(o=-1!,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.272 F(o=-0.86,f=-0.27) USER MOD Single : A 43 CYS SG : rot -20:sc= 0.374 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 168:sc= -6.88! (180deg=-7.84!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -1.72 (180deg=-3.92!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -86:sc= 1.22 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -45:sc= -0.593 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -150:sc= -0.234 USER MOD Single : A 84 TYR OH : rot -122:sc= 0.871 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 45:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.795 11.891 -10.653 1.00 0.00 N ATOM 2 CA GLY A 1 12.628 12.335 -9.280 1.00 0.00 C ATOM 3 C GLY A 1 12.541 11.143 -8.325 1.00 0.00 C ATOM 4 O GLY A 1 12.089 10.066 -8.710 1.00 0.00 O ATOM 0 H1 GLY A 1 12.183 12.455 -11.277 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.787 12.013 -10.939 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.534 10.887 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.465 12.973 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.724 12.939 -9.197 1.00 0.00 H new ATOM 8 N SER A 2 12.982 11.375 -7.097 1.00 0.00 N ATOM 9 CA SER A 2 12.959 10.334 -6.084 1.00 0.00 C ATOM 10 C SER A 2 12.919 10.961 -4.689 1.00 0.00 C ATOM 11 O SER A 2 11.994 10.709 -3.918 1.00 0.00 O ATOM 12 CB SER A 2 14.173 9.411 -6.216 1.00 0.00 C ATOM 13 OG SER A 2 13.791 8.053 -6.417 1.00 0.00 O ATOM 0 H SER A 2 13.357 12.269 -6.781 1.00 0.00 H new ATOM 0 HA SER A 2 12.061 9.734 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.791 9.741 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.785 9.486 -5.317 1.00 0.00 H new ATOM 0 HG SER A 2 14.593 7.496 -6.498 1.00 0.00 H new ATOM 19 N SER A 3 13.933 11.765 -4.408 1.00 0.00 N ATOM 20 CA SER A 3 14.025 12.431 -3.119 1.00 0.00 C ATOM 21 C SER A 3 12.846 13.389 -2.940 1.00 0.00 C ATOM 22 O SER A 3 12.372 13.983 -3.906 1.00 0.00 O ATOM 23 CB SER A 3 15.349 13.186 -2.982 1.00 0.00 C ATOM 24 OG SER A 3 15.686 13.430 -1.620 1.00 0.00 O ATOM 0 H SER A 3 14.698 11.971 -5.050 1.00 0.00 H new ATOM 0 HA SER A 3 13.989 11.671 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.145 12.611 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.282 14.135 -3.514 1.00 0.00 H new ATOM 0 HG SER A 3 16.538 13.912 -1.575 1.00 0.00 H new ATOM 30 N GLY A 4 12.407 13.510 -1.695 1.00 0.00 N ATOM 31 CA GLY A 4 11.293 14.386 -1.377 1.00 0.00 C ATOM 32 C GLY A 4 11.446 14.980 0.025 1.00 0.00 C ATOM 33 O GLY A 4 11.165 14.314 1.020 1.00 0.00 O ATOM 0 H GLY A 4 12.803 13.016 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.236 15.189 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.358 13.829 -1.440 1.00 0.00 H new ATOM 37 N SER A 5 11.891 16.227 0.058 1.00 0.00 N ATOM 38 CA SER A 5 12.085 16.919 1.321 1.00 0.00 C ATOM 39 C SER A 5 11.549 18.349 1.223 1.00 0.00 C ATOM 40 O SER A 5 11.917 19.092 0.313 1.00 0.00 O ATOM 41 CB SER A 5 13.561 16.932 1.722 1.00 0.00 C ATOM 42 OG SER A 5 14.304 17.904 0.991 1.00 0.00 O ATOM 0 H SER A 5 12.123 16.776 -0.769 1.00 0.00 H new ATOM 0 HA SER A 5 11.532 16.383 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.645 17.139 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.991 15.945 1.554 1.00 0.00 H new ATOM 0 HG SER A 5 13.686 18.526 0.553 1.00 0.00 H new ATOM 48 N SER A 6 10.690 18.692 2.171 1.00 0.00 N ATOM 49 CA SER A 6 10.100 20.020 2.202 1.00 0.00 C ATOM 50 C SER A 6 9.361 20.295 0.891 1.00 0.00 C ATOM 51 O SER A 6 9.558 19.589 -0.097 1.00 0.00 O ATOM 52 CB SER A 6 11.166 21.090 2.445 1.00 0.00 C ATOM 53 OG SER A 6 10.800 21.979 3.497 1.00 0.00 O ATOM 0 H SER A 6 10.388 18.074 2.924 1.00 0.00 H new ATOM 0 HA SER A 6 9.389 20.060 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.113 20.609 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.325 21.658 1.529 1.00 0.00 H new ATOM 0 HG SER A 6 11.507 22.646 3.622 1.00 0.00 H new ATOM 59 N GLY A 7 8.525 21.322 0.924 1.00 0.00 N ATOM 60 CA GLY A 7 7.756 21.699 -0.249 1.00 0.00 C ATOM 61 C GLY A 7 6.786 20.586 -0.651 1.00 0.00 C ATOM 62 O GLY A 7 6.246 19.889 0.207 1.00 0.00 O ATOM 0 H GLY A 7 8.363 21.905 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.200 22.614 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.431 21.914 -1.077 1.00 0.00 H new ATOM 66 N GLY A 8 6.596 20.452 -1.955 1.00 0.00 N ATOM 67 CA GLY A 8 5.701 19.435 -2.480 1.00 0.00 C ATOM 68 C GLY A 8 4.890 19.974 -3.660 1.00 0.00 C ATOM 69 O GLY A 8 4.163 20.957 -3.520 1.00 0.00 O ATOM 0 H GLY A 8 7.047 21.031 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.278 18.566 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.026 19.099 -1.693 1.00 0.00 H new ATOM 73 N PRO A 9 5.045 19.290 -4.825 1.00 0.00 N ATOM 74 CA PRO A 9 4.336 19.691 -6.028 1.00 0.00 C ATOM 75 C PRO A 9 2.860 19.294 -5.952 1.00 0.00 C ATOM 76 O PRO A 9 2.490 18.410 -5.181 1.00 0.00 O ATOM 77 CB PRO A 9 5.076 19.009 -7.167 1.00 0.00 C ATOM 78 CG PRO A 9 5.880 17.887 -6.529 1.00 0.00 C ATOM 79 CD PRO A 9 5.897 18.122 -5.027 1.00 0.00 C ATOM 0 HA PRO A 9 4.325 20.772 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.378 18.617 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.729 19.712 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.434 16.919 -6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.896 17.872 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.516 17.256 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.909 18.303 -4.666 1.00 0.00 H new ATOM 87 N PRO A 10 2.035 19.985 -6.784 1.00 0.00 N ATOM 88 CA PRO A 10 0.608 19.714 -6.818 1.00 0.00 C ATOM 89 C PRO A 10 0.316 18.407 -7.558 1.00 0.00 C ATOM 90 O PRO A 10 1.209 17.822 -8.167 1.00 0.00 O ATOM 91 CB PRO A 10 -0.007 20.929 -7.493 1.00 0.00 C ATOM 92 CG PRO A 10 1.131 21.620 -8.226 1.00 0.00 C ATOM 93 CD PRO A 10 2.438 21.039 -7.710 1.00 0.00 C ATOM 0 HA PRO A 10 0.183 19.569 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.795 20.634 -8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.461 21.595 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.042 21.465 -9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.098 22.696 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.043 20.641 -8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.038 21.798 -7.209 1.00 0.00 H new ATOM 101 N THR A 11 -0.939 17.988 -7.480 1.00 0.00 N ATOM 102 CA THR A 11 -1.360 16.761 -8.134 1.00 0.00 C ATOM 103 C THR A 11 -2.784 16.907 -8.674 1.00 0.00 C ATOM 104 O THR A 11 -3.749 16.845 -7.913 1.00 0.00 O ATOM 105 CB THR A 11 -1.203 15.614 -7.135 1.00 0.00 C ATOM 106 OG1 THR A 11 0.154 15.707 -6.710 1.00 0.00 O ATOM 107 CG2 THR A 11 -1.291 14.240 -7.802 1.00 0.00 C ATOM 0 H THR A 11 -1.678 18.477 -6.974 1.00 0.00 H new ATOM 0 HA THR A 11 -0.738 16.541 -9.002 1.00 0.00 H new ATOM 0 HB THR A 11 -1.972 15.694 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.212 16.293 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.173 13.461 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.261 14.132 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.501 14.146 -8.547 1.00 0.00 H new ATOM 115 N ARG A 12 -2.871 17.097 -9.982 1.00 0.00 N ATOM 116 CA ARG A 12 -4.161 17.252 -10.632 1.00 0.00 C ATOM 117 C ARG A 12 -4.742 15.883 -10.991 1.00 0.00 C ATOM 118 O ARG A 12 -5.166 15.662 -12.125 1.00 0.00 O ATOM 119 CB ARG A 12 -4.041 18.096 -11.902 1.00 0.00 C ATOM 120 CG ARG A 12 -2.877 17.616 -12.771 1.00 0.00 C ATOM 121 CD ARG A 12 -1.618 18.446 -12.510 1.00 0.00 C ATOM 122 NE ARG A 12 -1.282 19.246 -13.709 1.00 0.00 N ATOM 123 CZ ARG A 12 -0.124 19.900 -13.875 1.00 0.00 C ATOM 124 NH1 ARG A 12 0.815 19.853 -12.920 1.00 0.00 N ATOM 125 NH2 ARG A 12 0.095 20.601 -14.996 1.00 0.00 N ATOM 0 H ARG A 12 -2.069 17.147 -10.610 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.825 17.761 -9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.970 18.040 -12.469 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.893 19.142 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.673 16.565 -12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.151 17.686 -13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.777 19.105 -11.656 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.786 17.790 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.975 19.303 -14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.648 19.319 -12.067 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.696 20.351 -13.046 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.620 20.637 -15.723 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.976 21.099 -15.122 1.00 0.00 H new ATOM 139 N ARG A 13 -4.743 14.998 -10.005 1.00 0.00 N ATOM 140 CA ARG A 13 -5.264 13.657 -10.203 1.00 0.00 C ATOM 141 C ARG A 13 -6.371 13.362 -9.188 1.00 0.00 C ATOM 142 O ARG A 13 -6.616 14.159 -8.283 1.00 0.00 O ATOM 143 CB ARG A 13 -4.158 12.609 -10.060 1.00 0.00 C ATOM 144 CG ARG A 13 -3.419 12.408 -11.384 1.00 0.00 C ATOM 145 CD ARG A 13 -2.022 13.031 -11.333 1.00 0.00 C ATOM 146 NE ARG A 13 -1.165 12.439 -12.384 1.00 0.00 N ATOM 147 CZ ARG A 13 0.134 12.725 -12.543 1.00 0.00 C ATOM 148 NH1 ARG A 13 0.734 13.597 -11.721 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.834 12.140 -13.525 1.00 0.00 N ATOM 0 H ARG A 13 -4.391 15.184 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.669 13.605 -11.213 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.453 12.922 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.589 11.663 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.338 11.343 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.992 12.857 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.091 14.110 -11.473 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.576 12.865 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.590 11.771 -13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.202 14.043 -10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.723 13.815 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.378 11.477 -14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.823 12.358 -13.646 1.00 0.00 H new ATOM 163 N SER A 14 -7.009 12.215 -9.372 1.00 0.00 N ATOM 164 CA SER A 14 -8.083 11.806 -8.484 1.00 0.00 C ATOM 165 C SER A 14 -7.605 11.846 -7.031 1.00 0.00 C ATOM 166 O SER A 14 -6.403 11.824 -6.768 1.00 0.00 O ATOM 167 CB SER A 14 -8.587 10.405 -8.838 1.00 0.00 C ATOM 168 OG SER A 14 -9.023 10.322 -10.192 1.00 0.00 O ATOM 0 H SER A 14 -6.802 11.557 -10.123 1.00 0.00 H new ATOM 0 HA SER A 14 -8.912 12.503 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.791 9.680 -8.668 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.410 10.137 -8.175 1.00 0.00 H new ATOM 0 HG SER A 14 -9.336 9.412 -10.380 1.00 0.00 H new ATOM 174 N ASP A 15 -8.570 11.904 -6.125 1.00 0.00 N ATOM 175 CA ASP A 15 -8.262 11.948 -4.706 1.00 0.00 C ATOM 176 C ASP A 15 -8.808 10.687 -4.031 1.00 0.00 C ATOM 177 O ASP A 15 -9.748 10.758 -3.242 1.00 0.00 O ATOM 178 CB ASP A 15 -8.914 13.160 -4.038 1.00 0.00 C ATOM 179 CG ASP A 15 -8.107 14.457 -4.125 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.114 14.560 -3.373 1.00 0.00 O ATOM 181 OD2 ASP A 15 -8.502 15.317 -4.942 1.00 0.00 O ATOM 0 H ASP A 15 -9.566 11.922 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.179 12.015 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.890 13.326 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.088 12.927 -2.987 1.00 0.00 H new ATOM 186 N PHE A 16 -8.194 9.562 -4.367 1.00 0.00 N ATOM 187 CA PHE A 16 -8.606 8.288 -3.804 1.00 0.00 C ATOM 188 C PHE A 16 -7.394 7.399 -3.513 1.00 0.00 C ATOM 189 O PHE A 16 -6.788 6.850 -4.432 1.00 0.00 O ATOM 190 CB PHE A 16 -9.488 7.601 -4.849 1.00 0.00 C ATOM 191 CG PHE A 16 -10.772 8.365 -5.178 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.535 8.876 -4.175 1.00 0.00 C ATOM 193 CD2 PHE A 16 -11.150 8.532 -6.473 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.727 9.585 -4.480 1.00 0.00 C ATOM 195 CE2 PHE A 16 -12.342 9.241 -6.779 1.00 0.00 C ATOM 196 CZ PHE A 16 -13.105 9.753 -5.776 1.00 0.00 C ATOM 0 H PHE A 16 -7.414 9.507 -5.022 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.137 8.450 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.912 7.468 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.751 6.606 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.234 8.743 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.544 8.126 -7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.333 9.991 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.643 9.374 -7.808 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.011 10.293 -6.009 1.00 0.00 H new ATOM 206 N ARG A 17 -7.077 7.286 -2.232 1.00 0.00 N ATOM 207 CA ARG A 17 -5.949 6.474 -1.809 1.00 0.00 C ATOM 208 C ARG A 17 -6.395 5.450 -0.764 1.00 0.00 C ATOM 209 O ARG A 17 -7.555 5.440 -0.354 1.00 0.00 O ATOM 210 CB ARG A 17 -4.836 7.342 -1.219 1.00 0.00 C ATOM 211 CG ARG A 17 -5.254 7.928 0.132 1.00 0.00 C ATOM 212 CD ARG A 17 -4.199 7.644 1.202 1.00 0.00 C ATOM 213 NE ARG A 17 -3.113 8.646 1.121 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.176 9.868 1.667 1.00 0.00 C ATOM 215 NH1 ARG A 17 -4.273 10.247 2.338 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.143 10.712 1.543 1.00 0.00 N ATOM 0 H ARG A 17 -7.582 7.743 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.564 5.958 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.932 6.746 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.595 8.149 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.400 9.004 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.210 7.503 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.656 7.670 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.792 6.642 1.066 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.263 8.390 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.060 9.605 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.321 11.177 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.308 10.424 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.192 11.642 1.959 1.00 0.00 H new ATOM 230 N VAL A 18 -5.451 4.612 -0.362 1.00 0.00 N ATOM 231 CA VAL A 18 -5.732 3.585 0.627 1.00 0.00 C ATOM 232 C VAL A 18 -4.617 3.575 1.676 1.00 0.00 C ATOM 233 O VAL A 18 -3.453 3.352 1.347 1.00 0.00 O ATOM 234 CB VAL A 18 -5.918 2.232 -0.061 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.206 2.209 -0.887 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.705 1.886 -0.927 1.00 0.00 C ATOM 0 H VAL A 18 -4.490 4.623 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.666 3.800 1.147 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.004 1.471 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.314 1.236 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.060 2.389 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.163 2.986 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.863 0.919 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.574 2.652 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.813 1.840 -0.302 1.00 0.00 H new ATOM 246 N LEU A 19 -5.013 3.818 2.916 1.00 0.00 N ATOM 247 CA LEU A 19 -4.063 3.839 4.015 1.00 0.00 C ATOM 248 C LEU A 19 -3.832 2.411 4.511 1.00 0.00 C ATOM 249 O LEU A 19 -4.784 1.691 4.806 1.00 0.00 O ATOM 250 CB LEU A 19 -4.529 4.803 5.108 1.00 0.00 C ATOM 251 CG LEU A 19 -4.603 6.279 4.714 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.879 7.159 5.935 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.337 6.713 3.971 1.00 0.00 C ATOM 0 H LEU A 19 -5.980 4.002 3.185 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.099 4.219 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.516 4.488 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.855 4.708 5.960 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.440 6.407 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.927 8.204 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.829 6.869 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.078 7.032 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.416 7.766 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.469 6.566 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.223 6.116 3.066 1.00 0.00 H new ATOM 265 N VAL A 20 -2.561 2.043 4.588 1.00 0.00 N ATOM 266 CA VAL A 20 -2.193 0.714 5.044 1.00 0.00 C ATOM 267 C VAL A 20 -1.404 0.827 6.350 1.00 0.00 C ATOM 268 O VAL A 20 -0.592 1.737 6.512 1.00 0.00 O ATOM 269 CB VAL A 20 -1.425 -0.023 3.944 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.843 -1.337 4.467 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.315 -0.265 2.723 1.00 0.00 C ATOM 0 H VAL A 20 -1.773 2.643 4.342 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.084 0.122 5.253 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.594 0.611 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.303 -1.840 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.160 -1.130 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.651 -1.979 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.746 -0.790 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.175 -0.869 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.659 0.691 2.329 1.00 0.00 H new ATOM 281 N SER A 21 -1.670 -0.110 7.248 1.00 0.00 N ATOM 282 CA SER A 21 -0.994 -0.127 8.534 1.00 0.00 C ATOM 283 C SER A 21 -0.734 -1.570 8.970 1.00 0.00 C ATOM 284 O SER A 21 -1.445 -2.485 8.557 1.00 0.00 O ATOM 285 CB SER A 21 -1.815 0.608 9.596 1.00 0.00 C ATOM 286 OG SER A 21 -2.932 -0.160 10.034 1.00 0.00 O ATOM 0 H SER A 21 -2.344 -0.863 7.110 1.00 0.00 H new ATOM 0 HA SER A 21 -0.041 0.390 8.426 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.178 0.841 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.165 1.558 9.191 1.00 0.00 H new ATOM 0 HG SER A 21 -3.728 0.101 9.525 1.00 0.00 H new ATOM 292 N GLY A 22 0.288 -1.729 9.798 1.00 0.00 N ATOM 293 CA GLY A 22 0.652 -3.046 10.294 1.00 0.00 C ATOM 294 C GLY A 22 1.444 -3.827 9.244 1.00 0.00 C ATOM 295 O GLY A 22 1.013 -4.891 8.800 1.00 0.00 O ATOM 0 H GLY A 22 0.876 -0.968 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.246 -2.945 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.248 -3.599 10.562 1.00 0.00 H new ATOM 299 N LEU A 23 2.589 -3.270 8.877 1.00 0.00 N ATOM 300 CA LEU A 23 3.445 -3.902 7.888 1.00 0.00 C ATOM 301 C LEU A 23 4.665 -4.506 8.587 1.00 0.00 C ATOM 302 O LEU A 23 5.010 -4.105 9.697 1.00 0.00 O ATOM 303 CB LEU A 23 3.801 -2.912 6.776 1.00 0.00 C ATOM 304 CG LEU A 23 2.766 -2.757 5.660 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.749 -1.325 5.124 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.001 -3.783 4.549 1.00 0.00 C ATOM 0 H LEU A 23 2.944 -2.388 9.247 1.00 0.00 H new ATOM 0 HA LEU A 23 2.920 -4.721 7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.969 -1.934 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.745 -3.223 6.328 1.00 0.00 H new ATOM 0 HG LEU A 23 1.779 -2.956 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.005 -1.242 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.498 -0.637 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.732 -1.074 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.252 -3.652 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.995 -3.640 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.923 -4.789 4.961 1.00 0.00 H new ATOM 318 N PRO A 24 5.301 -5.485 7.889 1.00 0.00 N ATOM 319 CA PRO A 24 6.475 -6.149 8.431 1.00 0.00 C ATOM 320 C PRO A 24 7.704 -5.242 8.346 1.00 0.00 C ATOM 321 O PRO A 24 7.656 -4.181 7.726 1.00 0.00 O ATOM 322 CB PRO A 24 6.618 -7.423 7.615 1.00 0.00 C ATOM 323 CG PRO A 24 5.805 -7.202 6.350 1.00 0.00 C ATOM 324 CD PRO A 24 4.920 -5.986 6.571 1.00 0.00 C ATOM 0 HA PRO A 24 6.376 -6.381 9.491 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.664 -7.619 7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.250 -8.286 8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.463 -7.045 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.199 -8.080 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.081 -5.233 5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.864 -6.254 6.539 1.00 0.00 H new ATOM 332 N PRO A 25 8.806 -5.707 8.995 1.00 0.00 N ATOM 333 CA PRO A 25 10.046 -4.950 8.998 1.00 0.00 C ATOM 334 C PRO A 25 10.756 -5.053 7.647 1.00 0.00 C ATOM 335 O PRO A 25 11.599 -4.220 7.319 1.00 0.00 O ATOM 336 CB PRO A 25 10.860 -5.533 10.142 1.00 0.00 C ATOM 337 CG PRO A 25 10.248 -6.893 10.438 1.00 0.00 C ATOM 338 CD PRO A 25 8.900 -6.959 9.739 1.00 0.00 C ATOM 0 HA PRO A 25 9.885 -3.882 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.910 -5.629 9.865 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.819 -4.887 11.019 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.901 -7.691 10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.128 -7.032 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.841 -7.820 9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.086 -7.055 10.457 1.00 0.00 H new ATOM 346 N SER A 26 10.389 -6.084 6.899 1.00 0.00 N ATOM 347 CA SER A 26 10.979 -6.307 5.590 1.00 0.00 C ATOM 348 C SER A 26 10.037 -5.799 4.497 1.00 0.00 C ATOM 349 O SER A 26 10.444 -5.638 3.348 1.00 0.00 O ATOM 350 CB SER A 26 11.295 -7.788 5.374 1.00 0.00 C ATOM 351 OG SER A 26 11.726 -8.423 6.574 1.00 0.00 O ATOM 0 H SER A 26 9.690 -6.774 7.175 1.00 0.00 H new ATOM 0 HA SER A 26 11.916 -5.752 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.409 -8.296 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.070 -7.886 4.614 1.00 0.00 H new ATOM 0 HG SER A 26 11.503 -9.377 6.538 1.00 0.00 H new ATOM 357 N GLY A 27 8.795 -5.562 4.894 1.00 0.00 N ATOM 358 CA GLY A 27 7.792 -5.077 3.962 1.00 0.00 C ATOM 359 C GLY A 27 8.320 -3.887 3.159 1.00 0.00 C ATOM 360 O GLY A 27 8.914 -2.968 3.721 1.00 0.00 O ATOM 0 H GLY A 27 8.461 -5.697 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.503 -5.879 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.895 -4.783 4.508 1.00 0.00 H new ATOM 364 N SER A 28 8.084 -3.942 1.856 1.00 0.00 N ATOM 365 CA SER A 28 8.529 -2.880 0.970 1.00 0.00 C ATOM 366 C SER A 28 7.337 -2.307 0.200 1.00 0.00 C ATOM 367 O SER A 28 6.243 -2.870 0.234 1.00 0.00 O ATOM 368 CB SER A 28 9.596 -3.385 -0.004 1.00 0.00 C ATOM 369 OG SER A 28 10.897 -3.374 0.578 1.00 0.00 O ATOM 0 H SER A 28 7.591 -4.705 1.393 1.00 0.00 H new ATOM 0 HA SER A 28 8.974 -2.092 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.348 -4.398 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.594 -2.763 -0.899 1.00 0.00 H new ATOM 0 HG SER A 28 11.252 -4.287 0.603 1.00 0.00 H new ATOM 375 N TRP A 29 7.588 -1.196 -0.476 1.00 0.00 N ATOM 376 CA TRP A 29 6.550 -0.541 -1.253 1.00 0.00 C ATOM 377 C TRP A 29 6.265 -1.404 -2.484 1.00 0.00 C ATOM 378 O TRP A 29 5.113 -1.557 -2.887 1.00 0.00 O ATOM 379 CB TRP A 29 6.951 0.892 -1.608 1.00 0.00 C ATOM 380 CG TRP A 29 8.264 0.996 -2.386 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.453 1.427 -1.945 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.474 0.642 -3.770 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.410 1.378 -2.938 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.795 0.885 -4.083 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.576 0.133 -4.725 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.338 0.649 -5.352 1.00 0.00 C ATOM 387 CZ3 TRP A 29 8.134 -0.098 -5.988 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.463 0.142 -6.319 1.00 0.00 C ATOM 0 H TRP A 29 8.496 -0.732 -0.502 1.00 0.00 H new ATOM 0 HA TRP A 29 5.633 -0.450 -0.671 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.154 1.346 -2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 29 7.038 1.472 -0.689 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.639 1.770 -0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.388 1.653 -2.848 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.538 -0.064 -4.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.376 0.848 -5.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.487 -0.490 -6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.818 -0.062 -7.318 1.00 0.00 H new ATOM 399 N GLN A 30 7.334 -1.947 -3.047 1.00 0.00 N ATOM 400 CA GLN A 30 7.214 -2.790 -4.224 1.00 0.00 C ATOM 401 C GLN A 30 6.162 -3.877 -3.992 1.00 0.00 C ATOM 402 O GLN A 30 5.067 -3.814 -4.548 1.00 0.00 O ATOM 403 CB GLN A 30 8.564 -3.405 -4.599 1.00 0.00 C ATOM 404 CG GLN A 30 8.777 -3.379 -6.114 1.00 0.00 C ATOM 405 CD GLN A 30 7.799 -4.321 -6.820 1.00 0.00 C ATOM 406 OE1 GLN A 30 7.715 -5.503 -6.530 1.00 0.00 O ATOM 407 NE2 GLN A 30 7.066 -3.732 -7.761 1.00 0.00 N ATOM 0 H GLN A 30 8.288 -1.819 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 30 6.890 -2.170 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.367 -2.857 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.612 -4.433 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.643 -2.363 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.801 -3.671 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.187 -2.738 -7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.383 -4.275 -8.290 1.00 0.00 H new ATOM 416 N ASP A 31 6.533 -4.849 -3.171 1.00 0.00 N ATOM 417 CA ASP A 31 5.635 -5.948 -2.860 1.00 0.00 C ATOM 418 C ASP A 31 4.274 -5.387 -2.443 1.00 0.00 C ATOM 419 O ASP A 31 3.235 -5.877 -2.883 1.00 0.00 O ATOM 420 CB ASP A 31 6.175 -6.788 -1.700 1.00 0.00 C ATOM 421 CG ASP A 31 7.009 -8.002 -2.115 1.00 0.00 C ATOM 422 OD1 ASP A 31 7.788 -7.852 -3.081 1.00 0.00 O ATOM 423 OD2 ASP A 31 6.848 -9.052 -1.457 1.00 0.00 O ATOM 0 H ASP A 31 7.443 -4.898 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 31 5.546 -6.573 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.784 -6.149 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.334 -7.132 -1.098 1.00 0.00 H new ATOM 428 N LEU A 32 4.323 -4.366 -1.599 1.00 0.00 N ATOM 429 CA LEU A 32 3.107 -3.733 -1.119 1.00 0.00 C ATOM 430 C LEU A 32 2.240 -3.332 -2.313 1.00 0.00 C ATOM 431 O LEU A 32 1.057 -3.666 -2.366 1.00 0.00 O ATOM 432 CB LEU A 32 3.443 -2.569 -0.184 1.00 0.00 C ATOM 433 CG LEU A 32 2.265 -1.692 0.244 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.643 -0.810 1.436 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.737 -0.870 -0.933 1.00 0.00 C ATOM 0 H LEU A 32 5.186 -3.962 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 32 2.523 -4.433 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.914 -2.973 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.182 -1.936 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 32 1.455 -2.344 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.788 -0.197 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.933 -1.440 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.477 -0.165 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.900 -0.256 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.531 -0.227 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.403 -1.541 -1.725 1.00 0.00 H new ATOM 447 N LYS A 33 2.861 -2.621 -3.243 1.00 0.00 N ATOM 448 CA LYS A 33 2.160 -2.171 -4.433 1.00 0.00 C ATOM 449 C LYS A 33 1.595 -3.383 -5.177 1.00 0.00 C ATOM 450 O LYS A 33 0.380 -3.544 -5.277 1.00 0.00 O ATOM 451 CB LYS A 33 3.073 -1.293 -5.292 1.00 0.00 C ATOM 452 CG LYS A 33 2.270 -0.551 -6.363 1.00 0.00 C ATOM 453 CD LYS A 33 3.197 0.198 -7.322 1.00 0.00 C ATOM 454 CE LYS A 33 3.345 -0.557 -8.644 1.00 0.00 C ATOM 455 NZ LYS A 33 4.407 0.054 -9.475 1.00 0.00 N ATOM 0 H LYS A 33 3.842 -2.346 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 33 1.313 -1.541 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.593 -0.574 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.836 -1.910 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.659 -1.260 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.587 0.153 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.801 1.196 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.176 0.326 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.585 -1.602 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.399 -0.543 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.494 -0.471 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.163 1.044 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.312 0.019 -8.963 1.00 0.00 H new ATOM 469 N ASP A 34 2.505 -4.205 -5.679 1.00 0.00 N ATOM 470 CA ASP A 34 2.113 -5.398 -6.410 1.00 0.00 C ATOM 471 C ASP A 34 0.908 -6.041 -5.720 1.00 0.00 C ATOM 472 O ASP A 34 0.084 -6.681 -6.372 1.00 0.00 O ATOM 473 CB ASP A 34 3.246 -6.426 -6.437 1.00 0.00 C ATOM 474 CG ASP A 34 4.406 -6.085 -7.374 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.971 -4.983 -7.200 1.00 0.00 O ATOM 476 OD2 ASP A 34 4.702 -6.933 -8.242 1.00 0.00 O ATOM 0 H ASP A 34 3.512 -4.068 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 34 1.870 -5.103 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.637 -6.540 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.834 -7.391 -6.730 1.00 0.00 H new ATOM 481 N HIS A 35 0.844 -5.848 -4.411 1.00 0.00 N ATOM 482 CA HIS A 35 -0.247 -6.401 -3.626 1.00 0.00 C ATOM 483 C HIS A 35 -1.463 -5.477 -3.714 1.00 0.00 C ATOM 484 O HIS A 35 -2.584 -5.938 -3.924 1.00 0.00 O ATOM 485 CB HIS A 35 0.198 -6.660 -2.185 1.00 0.00 C ATOM 486 CG HIS A 35 -0.874 -7.266 -1.311 1.00 0.00 C ATOM 487 ND1 HIS A 35 -2.121 -6.817 -0.989 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -0.713 -8.474 -0.656 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -2.692 -7.704 -0.184 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -1.820 -8.732 0.024 1.00 0.00 N flip ATOM 0 H HIS A 35 1.529 -5.317 -3.874 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.540 -7.368 -4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.062 -7.324 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.525 -5.719 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.166 -9.100 -0.693 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.683 -7.625 0.237 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.990 -9.555 0.602 1.00 0.00 H new ATOM 498 N MET A 36 -1.200 -4.189 -3.548 1.00 0.00 N ATOM 499 CA MET A 36 -2.259 -3.195 -3.606 1.00 0.00 C ATOM 500 C MET A 36 -2.884 -3.141 -5.002 1.00 0.00 C ATOM 501 O MET A 36 -4.098 -2.995 -5.137 1.00 0.00 O ATOM 502 CB MET A 36 -1.690 -1.821 -3.248 1.00 0.00 C ATOM 503 CG MET A 36 -1.447 -1.703 -1.742 1.00 0.00 C ATOM 504 SD MET A 36 -2.975 -1.963 -0.856 1.00 0.00 S ATOM 505 CE MET A 36 -4.135 -1.287 -2.033 1.00 0.00 C ATOM 0 H MET A 36 -0.269 -3.811 -3.373 1.00 0.00 H new ATOM 0 HA MET A 36 -3.034 -3.474 -2.892 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.755 -1.660 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.381 -1.042 -3.571 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.705 -2.436 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.043 -0.718 -1.506 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.095 -1.123 -1.544 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.755 -0.339 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.263 -1.986 -2.860 1.00 0.00 H new ATOM 515 N ARG A 37 -2.027 -3.263 -6.005 1.00 0.00 N ATOM 516 CA ARG A 37 -2.480 -3.230 -7.385 1.00 0.00 C ATOM 517 C ARG A 37 -3.761 -4.051 -7.543 1.00 0.00 C ATOM 518 O ARG A 37 -4.556 -3.800 -8.447 1.00 0.00 O ATOM 519 CB ARG A 37 -1.410 -3.781 -8.329 1.00 0.00 C ATOM 520 CG ARG A 37 -0.067 -3.084 -8.102 1.00 0.00 C ATOM 521 CD ARG A 37 0.700 -2.929 -9.417 1.00 0.00 C ATOM 522 NE ARG A 37 0.524 -4.139 -10.251 1.00 0.00 N ATOM 523 CZ ARG A 37 -0.373 -4.245 -11.242 1.00 0.00 C ATOM 524 NH1 ARG A 37 -1.181 -3.214 -11.527 1.00 0.00 N ATOM 525 NH2 ARG A 37 -0.462 -5.381 -11.946 1.00 0.00 N ATOM 0 H ARG A 37 -1.021 -3.385 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.677 -2.190 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.298 -4.854 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.726 -3.642 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.233 -2.103 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.530 -3.659 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.342 -2.051 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.759 -2.768 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 37 1.123 -4.943 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.113 -2.349 -10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.863 -3.294 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.153 -6.165 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.144 -5.462 -12.700 1.00 0.00 H new ATOM 539 N GLU A 38 -3.922 -5.015 -6.648 1.00 0.00 N ATOM 540 CA GLU A 38 -5.093 -5.875 -6.677 1.00 0.00 C ATOM 541 C GLU A 38 -6.299 -5.110 -7.227 1.00 0.00 C ATOM 542 O GLU A 38 -7.081 -5.654 -8.006 1.00 0.00 O ATOM 543 CB GLU A 38 -5.391 -6.442 -5.287 1.00 0.00 C ATOM 544 CG GLU A 38 -4.993 -7.916 -5.200 1.00 0.00 C ATOM 545 CD GLU A 38 -5.667 -8.732 -6.306 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.848 -9.090 -6.108 1.00 0.00 O ATOM 547 OE2 GLU A 38 -4.985 -8.979 -7.324 1.00 0.00 O ATOM 0 H GLU A 38 -3.261 -5.219 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.887 -6.715 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.850 -5.870 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.453 -6.335 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.910 -8.010 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.274 -8.315 -4.226 1.00 0.00 H new ATOM 554 N ALA A 39 -6.413 -3.861 -6.801 1.00 0.00 N ATOM 555 CA ALA A 39 -7.510 -3.017 -7.241 1.00 0.00 C ATOM 556 C ALA A 39 -7.367 -2.742 -8.740 1.00 0.00 C ATOM 557 O ALA A 39 -8.007 -3.399 -9.559 1.00 0.00 O ATOM 558 CB ALA A 39 -7.530 -1.731 -6.412 1.00 0.00 C ATOM 0 H ALA A 39 -5.763 -3.413 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.465 -3.519 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.353 -1.098 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.663 -1.979 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.588 -1.199 -6.543 1.00 0.00 H new ATOM 564 N GLY A 40 -6.523 -1.769 -9.052 1.00 0.00 N ATOM 565 CA GLY A 40 -6.287 -1.400 -10.437 1.00 0.00 C ATOM 566 C GLY A 40 -4.857 -0.893 -10.634 1.00 0.00 C ATOM 567 O GLY A 40 -3.901 -1.541 -10.211 1.00 0.00 O ATOM 0 H GLY A 40 -5.995 -1.225 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.463 -2.261 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.995 -0.627 -10.737 1.00 0.00 H new ATOM 571 N ASP A 41 -4.755 0.261 -11.277 1.00 0.00 N ATOM 572 CA ASP A 41 -3.458 0.862 -11.535 1.00 0.00 C ATOM 573 C ASP A 41 -3.067 1.749 -10.351 1.00 0.00 C ATOM 574 O ASP A 41 -3.894 2.494 -9.829 1.00 0.00 O ATOM 575 CB ASP A 41 -3.496 1.738 -12.789 1.00 0.00 C ATOM 576 CG ASP A 41 -2.139 2.284 -13.238 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.334 1.466 -13.734 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.937 3.507 -13.075 1.00 0.00 O ATOM 0 H ASP A 41 -5.550 0.796 -11.627 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.737 0.058 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.926 1.158 -13.606 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.166 2.578 -12.607 1.00 0.00 H new ATOM 583 N VAL A 42 -1.805 1.639 -9.962 1.00 0.00 N ATOM 584 CA VAL A 42 -1.294 2.421 -8.849 1.00 0.00 C ATOM 585 C VAL A 42 -0.384 3.528 -9.385 1.00 0.00 C ATOM 586 O VAL A 42 0.651 3.248 -9.987 1.00 0.00 O ATOM 587 CB VAL A 42 -0.593 1.505 -7.843 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.356 2.228 -6.516 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.388 0.215 -7.630 1.00 0.00 C ATOM 0 H VAL A 42 -1.121 1.020 -10.398 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.112 2.903 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 42 0.379 1.235 -8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.143 1.555 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.270 3.104 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.312 2.541 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.868 -0.418 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.380 0.458 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.483 -0.315 -8.578 1.00 0.00 H new ATOM 599 N CYS A 43 -0.803 4.762 -9.145 1.00 0.00 N ATOM 600 CA CYS A 43 -0.038 5.912 -9.596 1.00 0.00 C ATOM 601 C CYS A 43 0.905 6.335 -8.468 1.00 0.00 C ATOM 602 O CYS A 43 1.947 6.938 -8.718 1.00 0.00 O ATOM 603 CB CYS A 43 -0.949 7.060 -10.038 1.00 0.00 C ATOM 604 SG CYS A 43 0.057 8.521 -10.486 1.00 0.00 S ATOM 0 H CYS A 43 -1.662 4.990 -8.644 1.00 0.00 H new ATOM 0 HA CYS A 43 0.547 5.640 -10.475 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.552 6.749 -10.891 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.640 7.316 -9.235 1.00 0.00 H new ATOM 0 HG CYS A 43 1.234 8.421 -9.943 1.00 0.00 H new ATOM 610 N TYR A 44 0.505 6.001 -7.250 1.00 0.00 N ATOM 611 CA TYR A 44 1.301 6.339 -6.082 1.00 0.00 C ATOM 612 C TYR A 44 1.551 5.104 -5.214 1.00 0.00 C ATOM 613 O TYR A 44 0.625 4.348 -4.922 1.00 0.00 O ATOM 614 CB TYR A 44 0.474 7.350 -5.285 1.00 0.00 C ATOM 615 CG TYR A 44 1.305 8.240 -4.358 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.781 7.738 -3.164 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.577 9.544 -4.717 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.562 8.576 -2.292 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.359 10.382 -3.844 1.00 0.00 C ATOM 620 CZ TYR A 44 2.813 9.857 -2.675 1.00 0.00 C ATOM 621 OH TYR A 44 3.551 10.648 -1.851 1.00 0.00 O ATOM 0 H TYR A 44 -0.360 5.500 -7.046 1.00 0.00 H new ATOM 0 HA TYR A 44 2.271 6.737 -6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.077 7.982 -5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.264 6.812 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.568 6.717 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.204 9.936 -5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.940 8.196 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.580 11.405 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 44 3.651 11.536 -2.253 1.00 0.00 H new ATOM 631 N ALA A 45 2.807 4.938 -4.824 1.00 0.00 N ATOM 632 CA ALA A 45 3.190 3.808 -3.995 1.00 0.00 C ATOM 633 C ALA A 45 4.346 4.220 -3.081 1.00 0.00 C ATOM 634 O ALA A 45 5.441 4.517 -3.556 1.00 0.00 O ATOM 635 CB ALA A 45 3.547 2.618 -4.887 1.00 0.00 C ATOM 0 H ALA A 45 3.572 5.567 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 45 2.360 3.500 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.834 1.770 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.683 2.346 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.378 2.888 -5.539 1.00 0.00 H new ATOM 641 N ASP A 46 4.062 4.226 -1.787 1.00 0.00 N ATOM 642 CA ASP A 46 5.065 4.597 -0.803 1.00 0.00 C ATOM 643 C ASP A 46 4.871 3.753 0.459 1.00 0.00 C ATOM 644 O ASP A 46 3.816 3.151 0.651 1.00 0.00 O ATOM 645 CB ASP A 46 4.934 6.070 -0.412 1.00 0.00 C ATOM 646 CG ASP A 46 5.229 7.066 -1.535 1.00 0.00 C ATOM 647 OD1 ASP A 46 4.679 6.857 -2.638 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.999 8.013 -1.266 1.00 0.00 O ATOM 0 H ASP A 46 3.152 3.980 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 46 6.048 4.427 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.921 6.245 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.610 6.271 0.419 1.00 0.00 H new ATOM 653 N VAL A 47 5.906 3.738 1.286 1.00 0.00 N ATOM 654 CA VAL A 47 5.862 2.978 2.524 1.00 0.00 C ATOM 655 C VAL A 47 6.544 3.781 3.634 1.00 0.00 C ATOM 656 O VAL A 47 7.580 4.405 3.408 1.00 0.00 O ATOM 657 CB VAL A 47 6.489 1.598 2.314 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.906 1.720 1.749 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.484 0.790 3.613 1.00 0.00 C ATOM 0 H VAL A 47 6.779 4.239 1.123 1.00 0.00 H new ATOM 0 HA VAL A 47 4.830 2.808 2.831 1.00 0.00 H new ATOM 0 HB VAL A 47 5.882 1.062 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.329 0.725 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.872 2.238 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.528 2.284 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.935 -0.186 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.056 1.321 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.458 0.659 3.956 1.00 0.00 H new ATOM 669 N GLN A 48 5.934 3.740 4.810 1.00 0.00 N ATOM 670 CA GLN A 48 6.469 4.457 5.955 1.00 0.00 C ATOM 671 C GLN A 48 7.042 3.472 6.977 1.00 0.00 C ATOM 672 O GLN A 48 6.848 2.263 6.855 1.00 0.00 O ATOM 673 CB GLN A 48 5.401 5.348 6.592 1.00 0.00 C ATOM 674 CG GLN A 48 5.071 6.538 5.689 1.00 0.00 C ATOM 675 CD GLN A 48 4.249 7.586 6.443 1.00 0.00 C ATOM 676 OE1 GLN A 48 3.065 7.424 6.690 1.00 0.00 O ATOM 677 NE2 GLN A 48 4.941 8.668 6.792 1.00 0.00 N ATOM 0 H GLN A 48 5.075 3.222 4.994 1.00 0.00 H new ATOM 0 HA GLN A 48 7.276 5.104 5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.498 4.765 6.776 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.752 5.707 7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.994 6.988 5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.516 6.194 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.930 8.740 6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.482 9.426 7.298 1.00 0.00 H new ATOM 686 N LYS A 49 7.735 4.026 7.960 1.00 0.00 N ATOM 687 CA LYS A 49 8.337 3.211 9.002 1.00 0.00 C ATOM 688 C LYS A 49 7.238 2.667 9.917 1.00 0.00 C ATOM 689 O LYS A 49 6.053 2.853 9.648 1.00 0.00 O ATOM 690 CB LYS A 49 9.418 4.002 9.743 1.00 0.00 C ATOM 691 CG LYS A 49 10.699 3.177 9.886 1.00 0.00 C ATOM 692 CD LYS A 49 11.782 3.676 8.928 1.00 0.00 C ATOM 693 CE LYS A 49 13.030 4.119 9.694 1.00 0.00 C ATOM 694 NZ LYS A 49 13.790 2.942 10.173 1.00 0.00 N ATOM 0 H LYS A 49 7.893 5.029 8.058 1.00 0.00 H new ATOM 0 HA LYS A 49 8.845 2.351 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.633 4.924 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.053 4.288 10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.061 3.236 10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.485 2.128 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.044 2.885 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.397 4.509 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.662 4.729 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.742 4.742 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.634 3.261 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.190 2.375 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.081 2.362 9.360 1.00 0.00 H new ATOM 708 N ASP A 50 7.671 2.004 10.979 1.00 0.00 N ATOM 709 CA ASP A 50 6.739 1.431 11.935 1.00 0.00 C ATOM 710 C ASP A 50 6.067 0.206 11.313 1.00 0.00 C ATOM 711 O ASP A 50 6.172 -0.900 11.842 1.00 0.00 O ATOM 712 CB ASP A 50 5.645 2.434 12.306 1.00 0.00 C ATOM 713 CG ASP A 50 5.128 2.325 13.742 1.00 0.00 C ATOM 714 OD1 ASP A 50 5.702 1.506 14.491 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.171 3.065 14.058 1.00 0.00 O ATOM 0 H ASP A 50 8.655 1.851 11.199 1.00 0.00 H new ATOM 0 HA ASP A 50 7.298 1.160 12.831 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.029 3.442 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.806 2.303 11.623 1.00 0.00 H new ATOM 720 N GLY A 51 5.389 0.443 10.200 1.00 0.00 N ATOM 721 CA GLY A 51 4.700 -0.627 9.500 1.00 0.00 C ATOM 722 C GLY A 51 3.455 -0.101 8.784 1.00 0.00 C ATOM 723 O GLY A 51 2.395 -0.724 8.835 1.00 0.00 O ATOM 0 H GLY A 51 5.302 1.362 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.374 -1.086 8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.415 -1.405 10.208 1.00 0.00 H new ATOM 727 N MET A 52 3.624 1.040 8.131 1.00 0.00 N ATOM 728 CA MET A 52 2.527 1.656 7.405 1.00 0.00 C ATOM 729 C MET A 52 2.832 1.727 5.908 1.00 0.00 C ATOM 730 O MET A 52 3.952 1.447 5.485 1.00 0.00 O ATOM 731 CB MET A 52 2.287 3.068 7.945 1.00 0.00 C ATOM 732 CG MET A 52 1.801 3.026 9.395 1.00 0.00 C ATOM 733 SD MET A 52 0.017 2.972 9.439 1.00 0.00 S ATOM 734 CE MET A 52 -0.360 4.447 8.506 1.00 0.00 C ATOM 0 H MET A 52 4.504 1.554 8.090 1.00 0.00 H new ATOM 0 HA MET A 52 1.634 1.047 7.546 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.209 3.646 7.883 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.549 3.578 7.325 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.212 2.152 9.900 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.160 3.903 9.933 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.180 4.981 8.986 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.520 5.089 8.470 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.650 4.172 7.492 1.00 0.00 H new ATOM 744 N GLY A 53 1.815 2.102 5.146 1.00 0.00 N ATOM 745 CA GLY A 53 1.960 2.213 3.705 1.00 0.00 C ATOM 746 C GLY A 53 0.910 3.160 3.119 1.00 0.00 C ATOM 747 O GLY A 53 -0.040 3.538 3.803 1.00 0.00 O ATOM 0 H GLY A 53 0.887 2.333 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.959 2.577 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.861 1.228 3.249 1.00 0.00 H new ATOM 751 N MET A 54 1.118 3.516 1.860 1.00 0.00 N ATOM 752 CA MET A 54 0.201 4.412 1.175 1.00 0.00 C ATOM 753 C MET A 54 0.208 4.154 -0.334 1.00 0.00 C ATOM 754 O MET A 54 1.267 3.964 -0.929 1.00 0.00 O ATOM 755 CB MET A 54 0.605 5.862 1.448 1.00 0.00 C ATOM 756 CG MET A 54 -0.492 6.830 1.000 1.00 0.00 C ATOM 757 SD MET A 54 0.208 8.117 -0.019 1.00 0.00 S ATOM 758 CE MET A 54 -0.660 7.808 -1.548 1.00 0.00 C ATOM 0 H MET A 54 1.907 3.201 1.296 1.00 0.00 H new ATOM 0 HA MET A 54 -0.806 4.230 1.551 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.800 5.995 2.512 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.533 6.090 0.923 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.259 6.291 0.444 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.979 7.269 1.871 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.506 8.645 -2.229 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.280 6.894 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.725 7.696 -1.346 1.00 0.00 H new ATOM 768 N VAL A 55 -0.986 4.157 -0.907 1.00 0.00 N ATOM 769 CA VAL A 55 -1.131 3.927 -2.335 1.00 0.00 C ATOM 770 C VAL A 55 -2.331 4.720 -2.856 1.00 0.00 C ATOM 771 O VAL A 55 -3.302 4.931 -2.131 1.00 0.00 O ATOM 772 CB VAL A 55 -1.238 2.426 -2.614 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.093 1.865 -3.119 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.717 1.670 -1.373 1.00 0.00 C ATOM 0 H VAL A 55 -1.862 4.315 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.251 4.282 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.980 2.284 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.011 0.797 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.375 2.372 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.865 2.026 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.784 0.606 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.010 1.824 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.698 2.041 -1.077 1.00 0.00 H new ATOM 784 N GLU A 56 -2.225 5.137 -4.109 1.00 0.00 N ATOM 785 CA GLU A 56 -3.289 5.902 -4.736 1.00 0.00 C ATOM 786 C GLU A 56 -3.900 5.111 -5.894 1.00 0.00 C ATOM 787 O GLU A 56 -3.312 4.138 -6.365 1.00 0.00 O ATOM 788 CB GLU A 56 -2.779 7.264 -5.211 1.00 0.00 C ATOM 789 CG GLU A 56 -2.481 8.182 -4.024 1.00 0.00 C ATOM 790 CD GLU A 56 -3.353 9.438 -4.068 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.581 9.270 -4.233 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.773 10.537 -3.937 1.00 0.00 O ATOM 0 H GLU A 56 -1.418 4.959 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.067 6.081 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.877 7.131 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.523 7.730 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.657 7.645 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.429 8.465 -4.034 1.00 0.00 H new ATOM 799 N TYR A 57 -5.072 5.558 -6.321 1.00 0.00 N ATOM 800 CA TYR A 57 -5.769 4.904 -7.415 1.00 0.00 C ATOM 801 C TYR A 57 -6.394 5.932 -8.360 1.00 0.00 C ATOM 802 O TYR A 57 -6.867 6.979 -7.919 1.00 0.00 O ATOM 803 CB TYR A 57 -6.885 4.078 -6.771 1.00 0.00 C ATOM 804 CG TYR A 57 -6.408 2.759 -6.160 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.715 1.850 -6.933 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.671 2.477 -4.834 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.266 0.608 -6.358 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.223 1.236 -4.259 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.542 0.363 -5.049 1.00 0.00 C ATOM 810 OH TYR A 57 -5.119 -0.810 -4.506 1.00 0.00 O ATOM 0 H TYR A 57 -5.556 6.365 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.079 4.293 -7.998 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.363 4.675 -5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.645 3.865 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.509 2.070 -7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.213 3.188 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.723 -0.112 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.423 1.003 -3.224 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.608 -1.314 -5.173 1.00 0.00 H new ATOM 820 N LEU A 58 -6.375 5.599 -9.642 1.00 0.00 N ATOM 821 CA LEU A 58 -6.933 6.481 -10.653 1.00 0.00 C ATOM 822 C LEU A 58 -8.431 6.201 -10.797 1.00 0.00 C ATOM 823 O LEU A 58 -9.084 6.742 -11.688 1.00 0.00 O ATOM 824 CB LEU A 58 -6.155 6.353 -11.964 1.00 0.00 C ATOM 825 CG LEU A 58 -4.643 6.564 -11.870 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.312 7.778 -10.999 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.942 5.297 -11.376 1.00 0.00 C ATOM 0 H LEU A 58 -5.982 4.730 -10.004 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.830 7.523 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.338 5.361 -12.377 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.559 7.074 -12.675 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.265 6.772 -12.871 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.231 7.906 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.763 8.671 -11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.706 7.624 -9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.868 5.474 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.320 5.034 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.138 4.479 -12.069 1.00 0.00 H new ATOM 839 N ARG A 59 -8.930 5.356 -9.907 1.00 0.00 N ATOM 840 CA ARG A 59 -10.338 4.998 -9.924 1.00 0.00 C ATOM 841 C ARG A 59 -10.871 4.872 -8.495 1.00 0.00 C ATOM 842 O ARG A 59 -10.250 4.226 -7.652 1.00 0.00 O ATOM 843 CB ARG A 59 -10.562 3.677 -10.662 1.00 0.00 C ATOM 844 CG ARG A 59 -9.948 3.721 -12.063 1.00 0.00 C ATOM 845 CD ARG A 59 -10.756 4.633 -12.988 1.00 0.00 C ATOM 846 NE ARG A 59 -11.668 3.823 -13.826 1.00 0.00 N ATOM 847 CZ ARG A 59 -12.554 4.341 -14.688 1.00 0.00 C ATOM 848 NH1 ARG A 59 -12.653 5.669 -14.830 1.00 0.00 N ATOM 849 NH2 ARG A 59 -13.341 3.529 -15.407 1.00 0.00 N ATOM 0 H ARG A 59 -8.385 4.909 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.875 5.789 -10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.120 2.859 -10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.630 3.474 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.920 4.078 -12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.912 2.714 -12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.330 5.348 -12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.083 5.211 -13.622 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.619 2.808 -13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.054 6.287 -14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.327 6.063 -15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.265 2.518 -15.298 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.016 3.922 -16.063 1.00 0.00 H new ATOM 863 N LYS A 60 -12.016 5.499 -8.266 1.00 0.00 N ATOM 864 CA LYS A 60 -12.639 5.466 -6.954 1.00 0.00 C ATOM 865 C LYS A 60 -12.908 4.012 -6.560 1.00 0.00 C ATOM 866 O LYS A 60 -12.494 3.569 -5.489 1.00 0.00 O ATOM 867 CB LYS A 60 -13.887 6.351 -6.931 1.00 0.00 C ATOM 868 CG LYS A 60 -14.443 6.477 -5.511 1.00 0.00 C ATOM 869 CD LYS A 60 -15.882 6.996 -5.530 1.00 0.00 C ATOM 870 CE LYS A 60 -16.583 6.716 -4.199 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.873 6.028 -4.427 1.00 0.00 N ATOM 0 H LYS A 60 -12.528 6.033 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.968 5.882 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.643 7.340 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.648 5.930 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.409 5.507 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.816 7.153 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.883 8.068 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.433 6.522 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.943 6.101 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.752 7.652 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.335 5.846 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.488 6.628 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.704 5.126 -4.915 1.00 0.00 H new ATOM 885 N GLU A 61 -13.600 3.310 -7.445 1.00 0.00 N ATOM 886 CA GLU A 61 -13.929 1.916 -7.203 1.00 0.00 C ATOM 887 C GLU A 61 -12.690 1.151 -6.735 1.00 0.00 C ATOM 888 O GLU A 61 -12.713 0.505 -5.689 1.00 0.00 O ATOM 889 CB GLU A 61 -14.533 1.270 -8.452 1.00 0.00 C ATOM 890 CG GLU A 61 -16.038 1.534 -8.532 1.00 0.00 C ATOM 891 CD GLU A 61 -16.758 0.388 -9.246 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.616 0.314 -10.486 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.434 -0.388 -8.536 1.00 0.00 O ATOM 0 H GLU A 61 -13.942 3.681 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.679 1.872 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.043 1.664 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.349 0.196 -8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.444 1.654 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.219 2.469 -9.062 1.00 0.00 H new ATOM 900 N ASP A 62 -11.636 1.251 -7.533 1.00 0.00 N ATOM 901 CA ASP A 62 -10.390 0.576 -7.213 1.00 0.00 C ATOM 902 C ASP A 62 -10.088 0.749 -5.723 1.00 0.00 C ATOM 903 O ASP A 62 -9.836 -0.228 -5.020 1.00 0.00 O ATOM 904 CB ASP A 62 -9.223 1.172 -8.004 1.00 0.00 C ATOM 905 CG ASP A 62 -9.152 0.747 -9.472 1.00 0.00 C ATOM 906 OD1 ASP A 62 -9.957 -0.133 -9.847 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.296 1.311 -10.185 1.00 0.00 O ATOM 0 H ASP A 62 -11.620 1.789 -8.399 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.501 -0.477 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.291 2.259 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.291 0.890 -7.514 1.00 0.00 H new ATOM 912 N MET A 63 -10.124 2.000 -5.286 1.00 0.00 N ATOM 913 CA MET A 63 -9.858 2.313 -3.893 1.00 0.00 C ATOM 914 C MET A 63 -10.719 1.455 -2.963 1.00 0.00 C ATOM 915 O MET A 63 -10.196 0.645 -2.200 1.00 0.00 O ATOM 916 CB MET A 63 -10.151 3.793 -3.637 1.00 0.00 C ATOM 917 CG MET A 63 -9.662 4.218 -2.251 1.00 0.00 C ATOM 918 SD MET A 63 -10.005 5.949 -1.987 1.00 0.00 S ATOM 919 CE MET A 63 -11.675 6.033 -2.610 1.00 0.00 C ATOM 0 H MET A 63 -10.333 2.808 -5.872 1.00 0.00 H new ATOM 0 HA MET A 63 -8.809 2.099 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.665 4.401 -4.400 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.223 3.975 -3.720 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.154 3.620 -1.484 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.592 4.033 -2.162 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.156 6.938 -2.240 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.656 6.051 -3.700 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.234 5.161 -2.271 1.00 0.00 H new ATOM 929 N GLU A 64 -12.024 1.661 -3.059 1.00 0.00 N ATOM 930 CA GLU A 64 -12.962 0.916 -2.237 1.00 0.00 C ATOM 931 C GLU A 64 -12.760 -0.588 -2.431 1.00 0.00 C ATOM 932 O GLU A 64 -12.715 -1.343 -1.461 1.00 0.00 O ATOM 933 CB GLU A 64 -14.405 1.320 -2.547 1.00 0.00 C ATOM 934 CG GLU A 64 -14.612 2.820 -2.330 1.00 0.00 C ATOM 935 CD GLU A 64 -16.077 3.131 -2.017 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.917 2.863 -2.904 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.325 3.630 -0.898 1.00 0.00 O ATOM 0 H GLU A 64 -12.454 2.334 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.769 1.157 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.645 1.061 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.089 0.759 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.980 3.163 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.303 3.366 -3.221 1.00 0.00 H new ATOM 944 N TYR A 65 -12.644 -0.979 -3.692 1.00 0.00 N ATOM 945 CA TYR A 65 -12.448 -2.379 -4.026 1.00 0.00 C ATOM 946 C TYR A 65 -11.301 -2.982 -3.212 1.00 0.00 C ATOM 947 O TYR A 65 -11.517 -3.875 -2.395 1.00 0.00 O ATOM 948 CB TYR A 65 -12.076 -2.411 -5.510 1.00 0.00 C ATOM 949 CG TYR A 65 -11.639 -3.788 -6.013 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.339 -4.211 -5.826 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.546 -4.608 -6.653 1.00 0.00 C ATOM 952 CE1 TYR A 65 -9.928 -5.507 -6.300 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.135 -5.905 -7.127 1.00 0.00 C ATOM 954 CZ TYR A 65 -10.846 -6.290 -6.927 1.00 0.00 C ATOM 955 OH TYR A 65 -10.458 -7.514 -7.374 1.00 0.00 O ATOM 0 H TYR A 65 -12.682 -0.350 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.348 -2.955 -3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.932 -2.077 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.271 -1.698 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.630 -3.570 -5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.564 -4.277 -6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.913 -5.850 -6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.834 -6.557 -7.630 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.218 -7.963 -7.800 1.00 0.00 H new ATOM 965 N ALA A 66 -10.105 -2.469 -3.464 1.00 0.00 N ATOM 966 CA ALA A 66 -8.924 -2.945 -2.765 1.00 0.00 C ATOM 967 C ALA A 66 -9.120 -2.762 -1.258 1.00 0.00 C ATOM 968 O ALA A 66 -8.715 -3.613 -0.468 1.00 0.00 O ATOM 969 CB ALA A 66 -7.690 -2.206 -3.286 1.00 0.00 C ATOM 0 H ALA A 66 -9.929 -1.728 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.770 -4.008 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.804 -2.563 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.579 -2.392 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.807 -1.136 -3.114 1.00 0.00 H new ATOM 975 N LEU A 67 -9.741 -1.646 -0.906 1.00 0.00 N ATOM 976 CA LEU A 67 -9.996 -1.341 0.492 1.00 0.00 C ATOM 977 C LEU A 67 -10.674 -2.541 1.156 1.00 0.00 C ATOM 978 O LEU A 67 -10.169 -3.078 2.140 1.00 0.00 O ATOM 979 CB LEU A 67 -10.787 -0.038 0.620 1.00 0.00 C ATOM 980 CG LEU A 67 -9.964 1.252 0.601 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.872 2.480 0.510 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.025 1.321 1.806 1.00 0.00 C ATOM 0 H LEU A 67 -10.075 -0.942 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.059 -1.171 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.512 0.005 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.354 -0.070 1.551 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.340 1.246 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.262 3.383 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.463 2.429 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.539 2.504 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.452 2.247 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.610 1.294 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.343 0.471 1.785 1.00 0.00 H new ATOM 994 N ARG A 68 -11.810 -2.925 0.592 1.00 0.00 N ATOM 995 CA ARG A 68 -12.563 -4.051 1.117 1.00 0.00 C ATOM 996 C ARG A 68 -11.836 -5.363 0.814 1.00 0.00 C ATOM 997 O ARG A 68 -11.362 -6.039 1.725 1.00 0.00 O ATOM 998 CB ARG A 68 -13.968 -4.103 0.514 1.00 0.00 C ATOM 999 CG ARG A 68 -14.684 -2.761 0.674 1.00 0.00 C ATOM 1000 CD ARG A 68 -14.841 -2.397 2.152 1.00 0.00 C ATOM 1001 NE ARG A 68 -13.698 -1.567 2.593 1.00 0.00 N ATOM 1002 CZ ARG A 68 -13.613 -0.984 3.797 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -14.604 -1.137 4.687 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -12.538 -0.249 4.111 1.00 0.00 N ATOM 0 H ARG A 68 -12.227 -2.476 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.648 -3.919 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.904 -4.361 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.547 -4.888 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.121 -1.981 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.665 -2.809 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.775 -1.855 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.896 -3.304 2.754 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.927 -1.430 1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.422 -1.697 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.540 -0.693 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.784 -0.133 3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.473 0.195 5.027 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.772 -5.684 -0.470 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.111 -6.903 -0.905 1.00 0.00 C ATOM 1020 C LYS A 69 -9.885 -7.155 -0.025 1.00 0.00 C ATOM 1021 O LYS A 69 -9.819 -8.161 0.680 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.792 -6.836 -2.399 1.00 0.00 C ATOM 1023 CG LYS A 69 -11.927 -7.438 -3.230 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.147 -6.515 -3.241 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.206 -6.993 -2.246 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.471 -6.250 -2.438 1.00 0.00 N ATOM 0 H LYS A 69 -12.167 -5.121 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.774 -7.760 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.631 -5.799 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.865 -7.372 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.585 -7.607 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.205 -8.410 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.841 -5.499 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.574 -6.482 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.381 -8.061 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.846 -6.852 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.179 -6.587 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.303 -5.234 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.822 -6.406 -3.405 1.00 0.00 H new ATOM 1040 N LEU A 70 -8.945 -6.224 -0.094 1.00 0.00 N ATOM 1041 CA LEU A 70 -7.725 -6.333 0.687 1.00 0.00 C ATOM 1042 C LEU A 70 -8.078 -6.358 2.175 1.00 0.00 C ATOM 1043 O LEU A 70 -7.620 -7.231 2.911 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.744 -5.222 0.307 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.490 -5.035 -1.191 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.632 -3.795 -1.451 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -5.878 -6.295 -1.805 1.00 0.00 C ATOM 0 H LEU A 70 -9.004 -5.391 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.213 -7.269 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.116 -4.281 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.790 -5.424 0.795 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.449 -4.871 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.466 -3.685 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.145 -2.912 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.673 -3.904 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.708 -6.135 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.930 -6.515 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.560 -7.134 -1.669 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.890 -5.390 2.575 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.310 -5.290 3.962 1.00 0.00 C ATOM 1061 C ASP A 71 -8.874 -6.548 4.715 1.00 0.00 C ATOM 1062 O ASP A 71 -9.460 -7.615 4.540 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.832 -5.178 4.070 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.348 -4.640 5.406 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.557 -4.670 6.373 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.522 -4.212 5.430 1.00 0.00 O ATOM 0 H ASP A 71 -9.268 -4.668 1.962 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.851 -4.398 4.389 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.191 -4.529 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.267 -6.163 3.900 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.847 -6.382 5.536 1.00 0.00 N ATOM 1072 CA ASP A 72 -7.325 -7.491 6.315 1.00 0.00 C ATOM 1073 C ASP A 72 -6.832 -8.588 5.368 1.00 0.00 C ATOM 1074 O ASP A 72 -7.633 -9.333 4.805 1.00 0.00 O ATOM 1075 CB ASP A 72 -8.410 -8.093 7.211 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.906 -9.095 8.253 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -7.769 -10.280 7.881 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.669 -8.652 9.397 1.00 0.00 O ATOM 0 H ASP A 72 -7.363 -5.496 5.678 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.512 -7.114 6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.925 -7.283 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.148 -8.588 6.580 1.00 0.00 H new ATOM 1083 N THR A 73 -5.517 -8.651 5.222 1.00 0.00 N ATOM 1084 CA THR A 73 -4.908 -9.644 4.353 1.00 0.00 C ATOM 1085 C THR A 73 -3.547 -10.073 4.905 1.00 0.00 C ATOM 1086 O THR A 73 -3.076 -9.525 5.900 1.00 0.00 O ATOM 1087 CB THR A 73 -4.834 -9.055 2.942 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.924 -7.648 3.148 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.069 -9.389 2.103 1.00 0.00 C ATOM 0 H THR A 73 -4.856 -8.031 5.690 1.00 0.00 H new ATOM 0 HA THR A 73 -5.507 -10.554 4.310 1.00 0.00 H new ATOM 0 HB THR A 73 -3.942 -9.428 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.867 -7.384 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.966 -8.948 1.112 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.164 -10.471 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.958 -8.987 2.588 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.953 -11.049 4.234 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.656 -11.558 4.645 1.00 0.00 C ATOM 1099 C LYS A 74 -0.593 -11.098 3.645 1.00 0.00 C ATOM 1100 O LYS A 74 -0.431 -11.700 2.585 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.710 -13.075 4.831 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.379 -13.610 5.364 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.513 -15.068 5.810 1.00 0.00 C ATOM 1104 CE LYS A 74 0.458 -15.967 5.043 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.501 -17.317 5.647 1.00 0.00 N ATOM 0 H LYS A 74 -3.346 -11.501 3.408 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.377 -11.151 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.512 -13.332 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.944 -13.553 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.385 -13.531 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.047 -12.998 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.317 -15.144 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.535 -15.409 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.150 -16.038 4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.455 -15.526 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.165 -17.915 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.816 -17.245 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.448 -17.741 5.616 1.00 0.00 H new ATOM 1119 N PHE A 75 0.104 -10.035 4.018 1.00 0.00 N ATOM 1120 CA PHE A 75 1.147 -9.488 3.167 1.00 0.00 C ATOM 1121 C PHE A 75 2.467 -10.236 3.367 1.00 0.00 C ATOM 1122 O PHE A 75 2.869 -10.501 4.499 1.00 0.00 O ATOM 1123 CB PHE A 75 1.337 -8.026 3.576 1.00 0.00 C ATOM 1124 CG PHE A 75 2.479 -7.318 2.844 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.504 -7.295 1.485 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.468 -6.711 3.553 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.564 -6.638 0.805 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.528 -6.054 2.873 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.553 -6.031 1.514 1.00 0.00 C ATOM 0 H PHE A 75 -0.033 -9.538 4.898 1.00 0.00 H new ATOM 0 HA PHE A 75 0.861 -9.584 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.409 -7.484 3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.524 -7.981 4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.718 -7.776 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.448 -6.728 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.584 -6.621 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.314 -5.573 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.359 -5.531 0.997 1.00 0.00 H new ATOM 1139 N ARG A 76 3.104 -10.556 2.250 1.00 0.00 N ATOM 1140 CA ARG A 76 4.369 -11.269 2.288 1.00 0.00 C ATOM 1141 C ARG A 76 5.515 -10.337 1.890 1.00 0.00 C ATOM 1142 O ARG A 76 5.597 -9.903 0.742 1.00 0.00 O ATOM 1143 CB ARG A 76 4.351 -12.474 1.347 1.00 0.00 C ATOM 1144 CG ARG A 76 5.585 -13.354 1.558 1.00 0.00 C ATOM 1145 CD ARG A 76 5.356 -14.762 1.006 1.00 0.00 C ATOM 1146 NE ARG A 76 6.302 -15.034 -0.099 1.00 0.00 N ATOM 1147 CZ ARG A 76 6.360 -16.191 -0.771 1.00 0.00 C ATOM 1148 NH1 ARG A 76 5.526 -17.192 -0.456 1.00 0.00 N ATOM 1149 NH2 ARG A 76 7.251 -16.348 -1.760 1.00 0.00 N ATOM 0 H ARG A 76 2.767 -10.334 1.313 1.00 0.00 H new ATOM 0 HA ARG A 76 4.520 -11.622 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.448 -13.060 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.317 -12.132 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.446 -12.902 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.818 -13.410 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.489 -15.498 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.330 -14.859 0.650 1.00 0.00 H new ATOM 0 HE ARG A 76 6.951 -14.294 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.847 -17.073 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.570 -18.073 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.885 -15.586 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.295 -17.229 -2.272 1.00 0.00 H new ATOM 1163 N SER A 77 6.372 -10.056 2.861 1.00 0.00 N ATOM 1164 CA SER A 77 7.510 -9.184 2.627 1.00 0.00 C ATOM 1165 C SER A 77 8.436 -9.802 1.578 1.00 0.00 C ATOM 1166 O SER A 77 8.288 -10.972 1.226 1.00 0.00 O ATOM 1167 CB SER A 77 8.278 -8.919 3.923 1.00 0.00 C ATOM 1168 OG SER A 77 9.210 -9.958 4.213 1.00 0.00 O ATOM 0 H SER A 77 6.301 -10.417 3.812 1.00 0.00 H new ATOM 0 HA SER A 77 7.138 -8.229 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.807 -7.969 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.573 -8.823 4.749 1.00 0.00 H new ATOM 0 HG SER A 77 8.782 -10.829 4.076 1.00 0.00 H new ATOM 1174 N HIS A 78 9.372 -8.990 1.108 1.00 0.00 N ATOM 1175 CA HIS A 78 10.322 -9.443 0.106 1.00 0.00 C ATOM 1176 C HIS A 78 11.290 -10.447 0.735 1.00 0.00 C ATOM 1177 O HIS A 78 12.051 -11.107 0.028 1.00 0.00 O ATOM 1178 CB HIS A 78 11.037 -8.255 -0.540 1.00 0.00 C ATOM 1179 CG HIS A 78 12.160 -7.686 0.294 1.00 0.00 C ATOM 1180 ND1 HIS A 78 12.164 -6.381 0.755 1.00 0.00 N ATOM 1181 CD2 HIS A 78 13.313 -8.258 0.746 1.00 0.00 C ATOM 1182 CE1 HIS A 78 13.275 -6.187 1.451 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.985 -7.351 1.444 1.00 0.00 N ATOM 0 H HIS A 78 9.493 -8.021 1.403 1.00 0.00 H new ATOM 0 HA HIS A 78 9.793 -9.955 -0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.437 -8.566 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.308 -7.468 -0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.626 -9.276 0.566 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.567 -5.268 1.938 1.00 0.00 H new ATOM 0 HE2 HIS A 78 14.885 -7.500 1.900 1.00 0.00 H new ATOM 1191 N GLU A 79 11.230 -10.532 2.056 1.00 0.00 N ATOM 1192 CA GLU A 79 12.091 -11.445 2.787 1.00 0.00 C ATOM 1193 C GLU A 79 11.414 -12.809 2.936 1.00 0.00 C ATOM 1194 O GLU A 79 11.992 -13.734 3.506 1.00 0.00 O ATOM 1195 CB GLU A 79 12.468 -10.868 4.153 1.00 0.00 C ATOM 1196 CG GLU A 79 13.896 -10.319 4.141 1.00 0.00 C ATOM 1197 CD GLU A 79 14.888 -11.359 4.667 1.00 0.00 C ATOM 1198 OE1 GLU A 79 14.729 -12.538 4.284 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.782 -10.951 5.439 1.00 0.00 O ATOM 0 H GLU A 79 10.598 -9.983 2.639 1.00 0.00 H new ATOM 0 HA GLU A 79 13.012 -11.578 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.771 -10.074 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.378 -11.641 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.170 -10.031 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.948 -9.419 4.753 1.00 0.00 H new ATOM 1206 N GLY A 80 10.200 -12.892 2.414 1.00 0.00 N ATOM 1207 CA GLY A 80 9.438 -14.127 2.482 1.00 0.00 C ATOM 1208 C GLY A 80 8.491 -14.122 3.683 1.00 0.00 C ATOM 1209 O GLY A 80 7.490 -14.837 3.692 1.00 0.00 O ATOM 0 H GLY A 80 9.724 -12.123 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.865 -14.256 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.119 -14.975 2.555 1.00 0.00 H new ATOM 1213 N GLU A 81 8.840 -13.308 4.668 1.00 0.00 N ATOM 1214 CA GLU A 81 8.033 -13.200 5.871 1.00 0.00 C ATOM 1215 C GLU A 81 6.611 -12.758 5.519 1.00 0.00 C ATOM 1216 O GLU A 81 6.388 -12.142 4.478 1.00 0.00 O ATOM 1217 CB GLU A 81 8.672 -12.240 6.876 1.00 0.00 C ATOM 1218 CG GLU A 81 9.750 -12.947 7.701 1.00 0.00 C ATOM 1219 CD GLU A 81 10.730 -11.938 8.302 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.496 -11.349 7.509 1.00 0.00 O ATOM 1221 OE2 GLU A 81 10.692 -11.778 9.541 1.00 0.00 O ATOM 0 H GLU A 81 9.671 -12.717 4.658 1.00 0.00 H new ATOM 0 HA GLU A 81 7.982 -14.183 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.110 -11.393 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.906 -11.839 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.282 -13.524 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.290 -13.653 7.071 1.00 0.00 H new ATOM 1228 N THR A 82 5.685 -13.091 6.407 1.00 0.00 N ATOM 1229 CA THR A 82 4.291 -12.736 6.203 1.00 0.00 C ATOM 1230 C THR A 82 3.722 -12.067 7.456 1.00 0.00 C ATOM 1231 O THR A 82 4.110 -12.404 8.574 1.00 0.00 O ATOM 1232 CB THR A 82 3.536 -14.002 5.794 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.119 -15.028 6.593 1.00 0.00 O ATOM 1234 CG2 THR A 82 3.844 -14.429 4.357 1.00 0.00 C ATOM 0 H THR A 82 5.873 -13.603 7.269 1.00 0.00 H new ATOM 0 HA THR A 82 4.182 -12.003 5.404 1.00 0.00 H new ATOM 0 HB THR A 82 2.464 -13.836 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.686 -15.884 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.283 -15.332 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.558 -13.632 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.911 -14.628 4.257 1.00 0.00 H new ATOM 1242 N SER A 83 2.812 -11.132 7.228 1.00 0.00 N ATOM 1243 CA SER A 83 2.185 -10.414 8.324 1.00 0.00 C ATOM 1244 C SER A 83 0.781 -9.962 7.920 1.00 0.00 C ATOM 1245 O SER A 83 0.427 -10.002 6.742 1.00 0.00 O ATOM 1246 CB SER A 83 3.029 -9.209 8.746 1.00 0.00 C ATOM 1247 OG SER A 83 4.376 -9.575 9.034 1.00 0.00 O ATOM 0 H SER A 83 2.494 -10.855 6.299 1.00 0.00 H new ATOM 0 HA SER A 83 2.110 -11.089 9.176 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.018 -8.463 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.584 -8.745 9.626 1.00 0.00 H new ATOM 0 HG SER A 83 4.741 -8.970 9.713 1.00 0.00 H new ATOM 1253 N TYR A 84 0.017 -9.544 8.919 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.341 -9.086 8.681 1.00 0.00 C ATOM 1255 C TYR A 84 -1.408 -7.557 8.658 1.00 0.00 C ATOM 1256 O TYR A 84 -0.948 -6.898 9.590 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.172 -9.603 9.857 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.382 -10.442 9.443 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.263 -11.374 8.431 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.594 -10.267 10.080 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.402 -12.163 8.041 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.733 -11.057 9.689 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.581 -11.966 8.689 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.657 -12.711 8.321 1.00 0.00 O ATOM 0 H TYR A 84 0.313 -9.513 9.895 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.705 -9.448 7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.532 -10.202 10.505 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.517 -8.753 10.446 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.315 -11.511 7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.688 -9.538 10.871 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.322 -12.895 7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.687 -10.930 10.179 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.389 -12.118 8.051 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.984 -7.038 7.584 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.117 -5.600 7.427 1.00 0.00 C ATOM 1276 C ILE A 85 -3.601 -5.227 7.418 1.00 0.00 C ATOM 1277 O ILE A 85 -4.460 -6.077 7.649 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.356 -5.123 6.189 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.938 -5.740 4.916 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.143 -5.400 6.327 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -1.385 -5.048 3.669 1.00 0.00 C ATOM 0 H ILE A 85 -2.364 -7.588 6.814 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.663 -5.082 8.271 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.478 -4.043 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.701 -6.803 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.025 -5.656 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.661 -5.051 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.531 -4.875 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.306 -6.471 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.815 -5.506 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.645 -3.990 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.301 -5.155 3.644 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.857 -3.956 7.149 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.223 -3.460 7.107 1.00 0.00 C ATOM 1295 C ARG A 86 -5.347 -2.334 6.078 1.00 0.00 C ATOM 1296 O ARG A 86 -4.526 -1.418 6.053 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.663 -2.941 8.477 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.321 -4.052 9.298 1.00 0.00 C ATOM 1299 CD ARG A 86 -7.834 -4.074 9.077 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.531 -3.602 10.296 1.00 0.00 N ATOM 1301 CZ ARG A 86 -8.481 -4.229 11.479 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -7.768 -5.355 11.611 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -9.144 -3.728 12.530 1.00 0.00 N ATOM 0 H ARG A 86 -3.142 -3.254 6.958 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.869 -4.290 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.800 -2.548 9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.363 -2.115 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.895 -5.016 9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.107 -3.903 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.095 -3.440 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.159 -5.085 8.831 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.083 -2.747 10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.263 -5.735 10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.730 -5.832 12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.686 -2.870 12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.107 -4.205 13.431 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.380 -2.439 5.255 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.622 -1.441 4.227 1.00 0.00 C ATOM 1319 C VAL A 87 -7.806 -0.565 4.642 1.00 0.00 C ATOM 1320 O VAL A 87 -8.909 -1.067 4.853 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.828 -2.123 2.873 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.550 -1.154 1.723 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -5.961 -3.378 2.754 1.00 0.00 C ATOM 0 H VAL A 87 -7.059 -3.200 5.279 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.756 -0.788 4.118 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.872 -2.429 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.704 -1.664 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.228 -0.303 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.520 -0.803 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.126 -3.844 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.910 -3.105 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.228 -4.081 3.543 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.537 0.728 4.746 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.567 1.678 5.131 1.00 0.00 C ATOM 1335 C TYR A 88 -8.342 3.033 4.459 1.00 0.00 C ATOM 1336 O TYR A 88 -7.227 3.346 4.043 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.439 1.846 6.647 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.048 2.284 7.109 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.019 1.367 7.166 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.823 3.598 7.469 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.710 1.779 7.601 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.513 4.010 7.904 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.522 3.081 7.949 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.285 3.470 8.360 1.00 0.00 O ATOM 0 H TYR A 88 -6.621 1.140 4.570 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.552 1.319 4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.171 2.580 6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.690 0.901 7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.196 0.339 6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.628 4.316 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.896 1.071 7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.323 5.034 8.188 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.371 4.096 9.109 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.446 3.822 4.371 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.380 5.137 3.756 1.00 0.00 C ATOM 1356 C PRO A 89 -8.694 6.142 4.683 1.00 0.00 C ATOM 1357 O PRO A 89 -8.100 5.758 5.690 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.824 5.501 3.450 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.677 4.591 4.319 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.782 3.484 4.853 1.00 0.00 C ATOM 0 HA PRO A 89 -8.779 5.146 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.018 6.550 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.048 5.354 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.120 5.153 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.499 4.171 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.811 3.442 5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.099 2.507 4.488 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.799 7.409 4.311 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.196 8.472 5.097 1.00 0.00 C ATOM 1370 C GLU A 90 -9.238 9.542 5.431 1.00 0.00 C ATOM 1371 O GLU A 90 -8.983 10.734 5.267 1.00 0.00 O ATOM 1372 CB GLU A 90 -6.999 9.083 4.366 1.00 0.00 C ATOM 1373 CG GLU A 90 -7.400 9.580 2.975 1.00 0.00 C ATOM 1374 CD GLU A 90 -7.074 11.065 2.809 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -7.303 11.809 3.787 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -6.604 11.423 1.707 1.00 0.00 O ATOM 0 H GLU A 90 -9.293 7.724 3.476 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.831 8.044 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.596 9.911 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.206 8.341 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.877 9.002 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.467 9.419 2.821 1.00 0.00 H new ATOM 1383 N ARG A 91 -10.389 9.077 5.894 1.00 0.00 N ATOM 1384 CA ARG A 91 -11.470 9.979 6.253 1.00 0.00 C ATOM 1385 C ARG A 91 -12.025 10.666 5.003 1.00 0.00 C ATOM 1386 O ARG A 91 -11.523 11.711 4.591 1.00 0.00 O ATOM 1387 CB ARG A 91 -10.994 11.043 7.243 1.00 0.00 C ATOM 1388 CG ARG A 91 -12.142 11.510 8.140 1.00 0.00 C ATOM 1389 CD ARG A 91 -11.702 12.671 9.035 1.00 0.00 C ATOM 1390 NE ARG A 91 -12.745 13.720 9.052 1.00 0.00 N ATOM 1391 CZ ARG A 91 -12.993 14.550 8.029 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -12.274 14.458 6.902 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -13.959 15.472 8.134 1.00 0.00 N ATOM 0 H ARG A 91 -10.596 8.087 6.029 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.254 9.386 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.189 10.639 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.584 11.894 6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.986 11.821 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.486 10.680 8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.520 12.311 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.763 13.086 8.670 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.311 13.818 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.538 13.756 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.463 15.090 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.506 15.542 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.148 16.104 7.356 1.00 0.00 H new ATOM 1407 N SER A 92 -13.052 10.052 4.435 1.00 0.00 N ATOM 1408 CA SER A 92 -13.680 10.591 3.241 1.00 0.00 C ATOM 1409 C SER A 92 -15.173 10.811 3.489 1.00 0.00 C ATOM 1410 O SER A 92 -15.661 11.938 3.406 1.00 0.00 O ATOM 1411 CB SER A 92 -13.472 9.664 2.042 1.00 0.00 C ATOM 1412 OG SER A 92 -12.384 10.086 1.224 1.00 0.00 O ATOM 0 H SER A 92 -13.465 9.186 4.780 1.00 0.00 H new ATOM 0 HA SER A 92 -13.211 11.548 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.288 8.650 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.384 9.633 1.445 1.00 0.00 H new ATOM 0 HG SER A 92 -12.282 9.468 0.470 1.00 0.00 H new ATOM 1418 N SER A 93 -15.858 9.717 3.789 1.00 0.00 N ATOM 1419 CA SER A 93 -17.286 9.777 4.050 1.00 0.00 C ATOM 1420 C SER A 93 -17.649 8.828 5.195 1.00 0.00 C ATOM 1421 O SER A 93 -17.148 7.707 5.258 1.00 0.00 O ATOM 1422 CB SER A 93 -18.090 9.427 2.796 1.00 0.00 C ATOM 1423 OG SER A 93 -17.716 8.162 2.257 1.00 0.00 O ATOM 0 H SER A 93 -15.451 8.784 3.857 1.00 0.00 H new ATOM 0 HA SER A 93 -17.539 10.797 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 93 -19.153 9.418 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.941 10.200 2.042 1.00 0.00 H new ATOM 0 HG SER A 93 -18.253 7.975 1.459 1.00 0.00 H new ATOM 1429 N GLY A 94 -18.517 9.314 6.070 1.00 0.00 N ATOM 1430 CA GLY A 94 -18.953 8.523 7.209 1.00 0.00 C ATOM 1431 C GLY A 94 -20.405 8.071 7.040 1.00 0.00 C ATOM 1432 O GLY A 94 -21.084 8.490 6.103 1.00 0.00 O ATOM 0 H GLY A 94 -18.930 10.245 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.308 7.651 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.855 9.110 8.122 1.00 0.00 H new ATOM 1436 N PRO A 95 -20.849 7.200 7.984 1.00 0.00 N ATOM 1437 CA PRO A 95 -22.208 6.687 7.949 1.00 0.00 C ATOM 1438 C PRO A 95 -23.208 7.750 8.409 1.00 0.00 C ATOM 1439 O PRO A 95 -23.483 7.874 9.601 1.00 0.00 O ATOM 1440 CB PRO A 95 -22.190 5.461 8.847 1.00 0.00 C ATOM 1441 CG PRO A 95 -20.950 5.599 9.715 1.00 0.00 C ATOM 1442 CD PRO A 95 -20.073 6.682 9.107 1.00 0.00 C ATOM 0 HA PRO A 95 -22.531 6.422 6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -23.091 5.411 9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -22.154 4.545 8.257 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -21.226 5.860 10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -20.410 4.653 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.853 7.466 9.831 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -19.117 6.277 8.775 1.00 0.00 H new ATOM 1450 N SER A 96 -23.725 8.490 7.439 1.00 0.00 N ATOM 1451 CA SER A 96 -24.688 9.538 7.729 1.00 0.00 C ATOM 1452 C SER A 96 -26.111 9.009 7.539 1.00 0.00 C ATOM 1453 O SER A 96 -26.910 9.018 8.474 1.00 0.00 O ATOM 1454 CB SER A 96 -24.454 10.762 6.842 1.00 0.00 C ATOM 1455 OG SER A 96 -24.574 11.981 7.571 1.00 0.00 O ATOM 0 H SER A 96 -23.495 8.384 6.451 1.00 0.00 H new ATOM 0 HA SER A 96 -24.557 9.845 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 96 -23.461 10.702 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 96 -25.172 10.758 6.022 1.00 0.00 H new ATOM 0 HG SER A 96 -24.416 12.739 6.970 1.00 0.00 H new ATOM 1461 N SER A 97 -26.384 8.560 6.323 1.00 0.00 N ATOM 1462 CA SER A 97 -27.696 8.028 5.998 1.00 0.00 C ATOM 1463 C SER A 97 -27.670 7.379 4.613 1.00 0.00 C ATOM 1464 O SER A 97 -26.878 7.768 3.756 1.00 0.00 O ATOM 1465 CB SER A 97 -28.763 9.123 6.051 1.00 0.00 C ATOM 1466 OG SER A 97 -29.378 9.208 7.333 1.00 0.00 O ATOM 0 H SER A 97 -25.718 8.554 5.550 1.00 0.00 H new ATOM 0 HA SER A 97 -27.952 7.273 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 97 -28.310 10.083 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 97 -29.524 8.924 5.296 1.00 0.00 H new ATOM 0 HG SER A 97 -28.690 9.162 8.029 1.00 0.00 H new ATOM 1472 N GLY A 98 -28.545 6.400 4.437 1.00 0.00 N ATOM 1473 CA GLY A 98 -28.632 5.693 3.170 1.00 0.00 C ATOM 1474 C GLY A 98 -29.134 4.262 3.374 1.00 0.00 C ATOM 1475 O GLY A 98 -30.103 4.038 4.097 1.00 0.00 O ATOM 0 H GLY A 98 -29.200 6.080 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -29.304 6.226 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -27.653 5.674 2.692 1.00 0.00 H new TER 1479 GLY A 98