USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1089 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 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 120 TYR OH : rot 180:sc= -0.549 USER MOD Set 2.1: A 102 GLN : amide:sc= -0.133 K(o=0.64,f=-6.3!) USER MOD Set 2.2: A 125 THR OG1 : rot 154:sc= 0.769 USER MOD Set 3.1: A 67 LYS NZ :NH3+ -168:sc= 0.57 (180deg=0.477) USER MOD Set 3.2: A 77 MET CE :methyl 177:sc= 0 (180deg=-0.00661) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0587 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00437 USER MOD Single : A 3 SER OG : rot 42:sc= 0.0466 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.195 USER MOD Single : A 25 MET CE :methyl -179:sc= -1.74 (180deg=-1.75) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -86:sc= 0.74 USER MOD Single : A 39 THR OG1 : rot -130:sc= -0.414 USER MOD Single : A 47 THR OG1 : rot -86:sc= 0.344 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.0468 USER MOD Single : A 49 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 58 MET CE :methyl 179:sc= -0.703 (180deg=-0.735) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-5.5!) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.532 USER MOD Single : A 68 GLN : amide:sc= -1.22 K(o=-1.2,f=-7.5!) USER MOD Single : A 69 ASN : amide:sc= -0.137 K(o=-0.14,f=-11!) USER MOD Single : A 73 GLN : amide:sc= -0.726 K(o=-0.73,f=-3.6!) USER MOD Single : A 75 THR OG1 : rot 44:sc= 0.0585 USER MOD Single : A 79 ASN : amide:sc=-0.00478 K(o=-0.0048,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0211 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 88 ASN : amide:sc= -0.639 K(o=-0.64,f=-7.7!) USER MOD Single : A 98 TYR OH : rot 60:sc= -0.265 USER MOD Single : A 99 SER OG : rot 63:sc= 0.143 USER MOD Single : A 101 HIS : no HE2:sc= -0.442 X(o=-0.44,f=-0.36) USER MOD Single : A 105 TYR OH : rot 150:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.2) USER MOD Single : A 115 LYS NZ :NH3+ -107:sc= 0.621 (180deg=-0.315) USER MOD Single : A 117 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.0055) USER MOD Single : A 122 TYR OH : rot 130:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot -150:sc=-0.00497 USER MOD Single : A 137 SER OG : rot -138:sc= 1.26 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot -53:sc= 0.0062 USER MOD Single : A 143 SER OG : rot 44:sc= 0.00496 USER MOD Single : A 144 SER OG : rot 54:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.543 10.759 4.645 1.00 0.00 N ATOM 2 CA GLY A 1 38.308 10.512 3.235 1.00 0.00 C ATOM 3 C GLY A 1 37.472 9.271 2.994 1.00 0.00 C ATOM 4 O GLY A 1 37.389 8.394 3.854 1.00 0.00 O ATOM 0 H1 GLY A 1 38.051 11.629 4.932 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.183 9.958 5.202 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.564 10.867 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.806 11.375 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.265 10.406 2.724 1.00 0.00 H new ATOM 8 N SER A 2 36.848 9.197 1.823 1.00 0.00 N ATOM 9 CA SER A 2 36.010 8.056 1.474 1.00 0.00 C ATOM 10 C SER A 2 36.186 7.681 0.006 1.00 0.00 C ATOM 11 O SER A 2 35.929 8.488 -0.887 1.00 0.00 O ATOM 12 CB SER A 2 34.540 8.371 1.759 1.00 0.00 C ATOM 13 OG SER A 2 34.401 9.119 2.954 1.00 0.00 O ATOM 0 H SER A 2 36.907 9.914 1.100 1.00 0.00 H new ATOM 0 HA SER A 2 36.319 7.209 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.116 8.930 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.975 7.442 1.840 1.00 0.00 H new ATOM 0 HG SER A 2 33.453 9.309 3.113 1.00 0.00 H new ATOM 19 N SER A 3 36.626 6.450 -0.235 1.00 0.00 N ATOM 20 CA SER A 3 36.840 5.967 -1.594 1.00 0.00 C ATOM 21 C SER A 3 36.474 4.491 -1.711 1.00 0.00 C ATOM 22 O SER A 3 37.050 3.641 -1.032 1.00 0.00 O ATOM 23 CB SER A 3 38.298 6.177 -2.008 1.00 0.00 C ATOM 24 OG SER A 3 39.184 5.780 -0.976 1.00 0.00 O ATOM 0 H SER A 3 36.841 5.769 0.493 1.00 0.00 H new ATOM 0 HA SER A 3 36.194 6.537 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 3 38.508 5.605 -2.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 38.463 7.227 -2.249 1.00 0.00 H new ATOM 0 HG SER A 3 38.866 4.944 -0.576 1.00 0.00 H new ATOM 30 N GLY A 4 35.511 4.192 -2.578 1.00 0.00 N ATOM 31 CA GLY A 4 35.084 2.819 -2.768 1.00 0.00 C ATOM 32 C GLY A 4 33.767 2.719 -3.512 1.00 0.00 C ATOM 33 O GLY A 4 32.794 3.385 -3.158 1.00 0.00 O ATOM 0 H GLY A 4 35.019 4.877 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.852 2.276 -3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.987 2.334 -1.797 1.00 0.00 H new ATOM 37 N SER A 5 33.735 1.887 -4.548 1.00 0.00 N ATOM 38 CA SER A 5 32.529 1.706 -5.347 1.00 0.00 C ATOM 39 C SER A 5 32.137 0.234 -5.414 1.00 0.00 C ATOM 40 O SER A 5 32.189 -0.387 -6.476 1.00 0.00 O ATOM 41 CB SER A 5 32.742 2.253 -6.760 1.00 0.00 C ATOM 42 OG SER A 5 33.264 3.571 -6.724 1.00 0.00 O ATOM 0 H SER A 5 34.531 1.327 -4.854 1.00 0.00 H new ATOM 0 HA SER A 5 31.720 2.258 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.426 1.603 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.796 2.248 -7.302 1.00 0.00 H new ATOM 0 HG SER A 5 33.393 3.897 -7.639 1.00 0.00 H new ATOM 48 N SER A 6 31.744 -0.320 -4.271 1.00 0.00 N ATOM 49 CA SER A 6 31.345 -1.720 -4.197 1.00 0.00 C ATOM 50 C SER A 6 29.853 -1.876 -4.472 1.00 0.00 C ATOM 51 O SER A 6 29.102 -0.902 -4.457 1.00 0.00 O ATOM 52 CB SER A 6 31.685 -2.297 -2.821 1.00 0.00 C ATOM 53 OG SER A 6 30.974 -1.624 -1.797 1.00 0.00 O ATOM 0 H SER A 6 31.694 0.180 -3.383 1.00 0.00 H new ATOM 0 HA SER A 6 31.896 -2.270 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.443 -3.359 -2.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.757 -2.211 -2.641 1.00 0.00 H new ATOM 0 HG SER A 6 31.207 -2.012 -0.928 1.00 0.00 H new ATOM 59 N GLY A 7 29.430 -3.111 -4.725 1.00 0.00 N ATOM 60 CA GLY A 7 28.029 -3.374 -5.001 1.00 0.00 C ATOM 61 C GLY A 7 27.574 -4.716 -4.464 1.00 0.00 C ATOM 62 O GLY A 7 28.189 -5.746 -4.745 1.00 0.00 O ATOM 0 H GLY A 7 30.032 -3.934 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.421 -2.585 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.862 -3.341 -6.078 1.00 0.00 H new ATOM 66 N VAL A 8 26.495 -4.707 -3.688 1.00 0.00 N ATOM 67 CA VAL A 8 25.959 -5.933 -3.110 1.00 0.00 C ATOM 68 C VAL A 8 24.497 -6.130 -3.497 1.00 0.00 C ATOM 69 O VAL A 8 23.655 -5.266 -3.247 1.00 0.00 O ATOM 70 CB VAL A 8 26.076 -5.928 -1.574 1.00 0.00 C ATOM 71 CG1 VAL A 8 25.586 -7.247 -0.996 1.00 0.00 C ATOM 72 CG2 VAL A 8 27.510 -5.651 -1.150 1.00 0.00 C ATOM 0 H VAL A 8 25.975 -3.864 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 8 26.552 -6.756 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 8 25.445 -5.131 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 8 25.676 -7.224 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.542 -7.399 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 8 26.188 -8.064 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 8 27.574 -5.651 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 8 28.164 -6.425 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 8 27.821 -4.678 -1.532 1.00 0.00 H new ATOM 82 N THR A 9 24.201 -7.272 -4.108 1.00 0.00 N ATOM 83 CA THR A 9 22.841 -7.583 -4.531 1.00 0.00 C ATOM 84 C THR A 9 22.663 -9.080 -4.754 1.00 0.00 C ATOM 85 O THR A 9 23.443 -9.708 -5.469 1.00 0.00 O ATOM 86 CB THR A 9 22.470 -6.835 -5.825 1.00 0.00 C ATOM 87 OG1 THR A 9 23.641 -6.622 -6.621 1.00 0.00 O ATOM 88 CG2 THR A 9 21.816 -5.498 -5.509 1.00 0.00 C ATOM 0 H THR A 9 24.885 -7.998 -4.321 1.00 0.00 H new ATOM 0 HA THR A 9 22.179 -7.257 -3.729 1.00 0.00 H new ATOM 0 HB THR A 9 21.760 -7.447 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 9 23.396 -6.147 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 9 21.563 -4.988 -6.439 1.00 0.00 H new ATOM 0 HG22 THR A 9 20.909 -5.665 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 9 22.507 -4.882 -4.934 1.00 0.00 H new ATOM 96 N GLY A 10 21.630 -9.647 -4.137 1.00 0.00 N ATOM 97 CA GLY A 10 21.368 -11.067 -4.282 1.00 0.00 C ATOM 98 C GLY A 10 19.969 -11.447 -3.841 1.00 0.00 C ATOM 99 O GLY A 10 19.521 -11.052 -2.764 1.00 0.00 O ATOM 0 H GLY A 10 20.971 -9.148 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.508 -11.354 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.095 -11.629 -3.696 1.00 0.00 H new ATOM 103 N ASP A 11 19.275 -12.213 -4.675 1.00 0.00 N ATOM 104 CA ASP A 11 17.917 -12.645 -4.366 1.00 0.00 C ATOM 105 C ASP A 11 17.395 -13.603 -5.432 1.00 0.00 C ATOM 106 O ASP A 11 17.634 -13.410 -6.624 1.00 0.00 O ATOM 107 CB ASP A 11 16.987 -11.436 -4.250 1.00 0.00 C ATOM 108 CG ASP A 11 17.152 -10.467 -5.405 1.00 0.00 C ATOM 109 OD1 ASP A 11 16.644 -10.766 -6.506 1.00 0.00 O ATOM 110 OD2 ASP A 11 17.789 -9.411 -5.208 1.00 0.00 O ATOM 0 H ASP A 11 19.630 -12.548 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 11 17.939 -13.170 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.953 -11.779 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.186 -10.917 -3.312 1.00 0.00 H new ATOM 115 N ARG A 12 16.683 -14.637 -4.995 1.00 0.00 N ATOM 116 CA ARG A 12 16.130 -15.626 -5.912 1.00 0.00 C ATOM 117 C ARG A 12 14.825 -15.129 -6.526 1.00 0.00 C ATOM 118 O ARG A 12 14.306 -14.081 -6.141 1.00 0.00 O ATOM 119 CB ARG A 12 15.891 -16.950 -5.183 1.00 0.00 C ATOM 120 CG ARG A 12 17.107 -17.862 -5.162 1.00 0.00 C ATOM 121 CD ARG A 12 18.249 -17.250 -4.365 1.00 0.00 C ATOM 122 NE ARG A 12 19.046 -16.328 -5.170 1.00 0.00 N ATOM 123 CZ ARG A 12 20.136 -15.715 -4.722 1.00 0.00 C ATOM 124 NH1 ARG A 12 20.556 -15.924 -3.482 1.00 0.00 N ATOM 125 NH2 ARG A 12 20.808 -14.891 -5.516 1.00 0.00 N ATOM 0 H ARG A 12 16.476 -14.811 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 12 16.851 -15.785 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.587 -16.741 -4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.063 -17.474 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.834 -18.824 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 12 17.437 -18.054 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 12 17.846 -16.721 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.890 -18.044 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 12 18.749 -16.145 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.042 -16.557 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.393 -15.452 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.488 -14.728 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 12 21.645 -14.420 -5.172 1.00 0.00 H new ATOM 139 N ALA A 13 14.301 -15.887 -7.483 1.00 0.00 N ATOM 140 CA ALA A 13 13.056 -15.524 -8.149 1.00 0.00 C ATOM 141 C ALA A 13 12.570 -16.650 -9.055 1.00 0.00 C ATOM 142 O ALA A 13 13.367 -17.425 -9.581 1.00 0.00 O ATOM 143 CB ALA A 13 13.240 -14.243 -8.949 1.00 0.00 C ATOM 0 H ALA A 13 14.719 -16.756 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 13 12.298 -15.356 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.303 -13.984 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.534 -13.435 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.015 -14.392 -9.701 1.00 0.00 H new ATOM 149 N GLY A 14 11.254 -16.735 -9.232 1.00 0.00 N ATOM 150 CA GLY A 14 10.685 -17.770 -10.075 1.00 0.00 C ATOM 151 C GLY A 14 9.173 -17.690 -10.151 1.00 0.00 C ATOM 152 O GLY A 14 8.621 -17.144 -11.105 1.00 0.00 O ATOM 0 H GLY A 14 10.573 -16.106 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.101 -17.686 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.975 -18.748 -9.690 1.00 0.00 H new ATOM 156 N GLY A 15 8.501 -18.236 -9.142 1.00 0.00 N ATOM 157 CA GLY A 15 7.050 -18.214 -9.119 1.00 0.00 C ATOM 158 C GLY A 15 6.490 -16.810 -9.218 1.00 0.00 C ATOM 159 O GLY A 15 7.173 -15.837 -8.896 1.00 0.00 O ATOM 0 H GLY A 15 8.935 -18.693 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.668 -18.813 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.697 -18.678 -8.198 1.00 0.00 H new ATOM 163 N ARG A 16 5.244 -16.702 -9.667 1.00 0.00 N ATOM 164 CA ARG A 16 4.593 -15.405 -9.811 1.00 0.00 C ATOM 165 C ARG A 16 4.682 -14.605 -8.515 1.00 0.00 C ATOM 166 O ARG A 16 4.792 -15.174 -7.429 1.00 0.00 O ATOM 167 CB ARG A 16 3.128 -15.587 -10.211 1.00 0.00 C ATOM 168 CG ARG A 16 2.898 -15.560 -11.713 1.00 0.00 C ATOM 169 CD ARG A 16 2.897 -16.963 -12.302 1.00 0.00 C ATOM 170 NE ARG A 16 3.269 -16.963 -13.714 1.00 0.00 N ATOM 171 CZ ARG A 16 3.257 -18.051 -14.476 1.00 0.00 C ATOM 172 NH1 ARG A 16 2.894 -19.219 -13.965 1.00 0.00 N ATOM 173 NH2 ARG A 16 3.609 -17.971 -15.753 1.00 0.00 N ATOM 0 H ARG A 16 4.665 -17.497 -9.937 1.00 0.00 H new ATOM 0 HA ARG A 16 5.110 -14.852 -10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.767 -16.536 -9.814 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.533 -14.800 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.947 -15.073 -11.928 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.676 -14.964 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.591 -17.591 -11.744 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.907 -17.404 -12.188 1.00 0.00 H new ATOM 0 HE ARG A 16 3.553 -16.080 -14.138 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.623 -19.284 -12.984 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.886 -20.052 -14.553 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.889 -17.074 -16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.600 -18.807 -16.338 1.00 0.00 H new ATOM 187 N SER A 17 4.635 -13.282 -8.637 1.00 0.00 N ATOM 188 CA SER A 17 4.714 -12.404 -7.476 1.00 0.00 C ATOM 189 C SER A 17 3.758 -11.224 -7.620 1.00 0.00 C ATOM 190 O SER A 17 3.977 -10.330 -8.438 1.00 0.00 O ATOM 191 CB SER A 17 6.145 -11.895 -7.292 1.00 0.00 C ATOM 192 OG SER A 17 6.813 -12.610 -6.267 1.00 0.00 O ATOM 0 H SER A 17 4.543 -12.795 -9.528 1.00 0.00 H new ATOM 0 HA SER A 17 4.424 -12.979 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.694 -11.997 -8.228 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.128 -10.833 -7.047 1.00 0.00 H new ATOM 0 HG SER A 17 7.726 -12.267 -6.170 1.00 0.00 H new ATOM 198 N TRP A 18 2.697 -11.230 -6.821 1.00 0.00 N ATOM 199 CA TRP A 18 1.706 -10.161 -6.860 1.00 0.00 C ATOM 200 C TRP A 18 2.372 -8.796 -6.724 1.00 0.00 C ATOM 201 O TRP A 18 3.562 -8.703 -6.419 1.00 0.00 O ATOM 202 CB TRP A 18 0.676 -10.352 -5.745 1.00 0.00 C ATOM 203 CG TRP A 18 -0.218 -11.536 -5.960 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.047 -12.834 -5.626 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.519 -11.531 -6.558 1.00 0.00 C ATOM 206 NE1 TRP A 18 -1.012 -13.635 -5.981 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.985 -12.860 -6.553 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.336 -10.532 -7.094 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.231 -13.213 -7.066 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.572 -10.885 -7.602 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.010 -12.215 -7.585 1.00 0.00 C ATOM 0 H TRP A 18 2.501 -11.963 -6.139 1.00 0.00 H new ATOM 0 HA TRP A 18 1.200 -10.203 -7.825 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.197 -10.467 -4.794 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.064 -9.453 -5.667 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.954 -13.180 -5.153 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.065 -14.644 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.008 -9.503 -7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.570 -14.238 -7.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.211 -10.121 -8.020 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.982 -12.458 -7.989 1.00 0.00 H new ATOM 222 N CYS A 19 1.599 -7.740 -6.952 1.00 0.00 N ATOM 223 CA CYS A 19 2.116 -6.379 -6.855 1.00 0.00 C ATOM 224 C CYS A 19 0.992 -5.359 -7.011 1.00 0.00 C ATOM 225 O CYS A 19 -0.172 -5.723 -7.182 1.00 0.00 O ATOM 226 CB CYS A 19 3.188 -6.142 -7.919 1.00 0.00 C ATOM 227 SG CYS A 19 2.541 -6.017 -9.603 1.00 0.00 S ATOM 0 H CYS A 19 0.613 -7.800 -7.205 1.00 0.00 H new ATOM 0 HA CYS A 19 2.561 -6.254 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.727 -5.225 -7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.911 -6.956 -7.879 1.00 0.00 H new ATOM 0 HG CYS A 19 3.482 -5.607 -10.400 1.00 0.00 H new ATOM 233 N LEU A 20 1.349 -4.081 -6.948 1.00 0.00 N ATOM 234 CA LEU A 20 0.370 -3.007 -7.080 1.00 0.00 C ATOM 235 C LEU A 20 0.630 -2.186 -8.339 1.00 0.00 C ATOM 236 O LEU A 20 1.080 -1.042 -8.265 1.00 0.00 O ATOM 237 CB LEU A 20 0.410 -2.099 -5.849 1.00 0.00 C ATOM 238 CG LEU A 20 -0.015 -2.741 -4.528 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.155 -1.760 -3.379 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.455 -3.226 -4.610 1.00 0.00 C ATOM 0 H LEU A 20 2.308 -3.763 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.619 -3.458 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.425 -1.719 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.233 -1.239 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 20 0.627 -3.602 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.152 -2.234 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.201 -1.462 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.462 -0.879 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.741 -3.680 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.112 -2.382 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.546 -3.964 -5.407 1.00 0.00 H new ATOM 252 N ARG A 21 0.342 -2.777 -9.494 1.00 0.00 N ATOM 253 CA ARG A 21 0.543 -2.100 -10.770 1.00 0.00 C ATOM 254 C ARG A 21 -0.125 -0.728 -10.769 1.00 0.00 C ATOM 255 O ARG A 21 -1.347 -0.622 -10.660 1.00 0.00 O ATOM 256 CB ARG A 21 -0.013 -2.949 -11.915 1.00 0.00 C ATOM 257 CG ARG A 21 0.728 -2.759 -13.229 1.00 0.00 C ATOM 258 CD ARG A 21 -0.068 -3.311 -14.401 1.00 0.00 C ATOM 259 NE ARG A 21 -1.081 -2.368 -14.867 1.00 0.00 N ATOM 260 CZ ARG A 21 -1.634 -2.420 -16.074 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.273 -3.365 -16.932 1.00 0.00 N ATOM 262 NH2 ARG A 21 -2.549 -1.526 -16.425 1.00 0.00 N ATOM 0 H ARG A 21 -0.031 -3.723 -9.573 1.00 0.00 H new ATOM 0 HA ARG A 21 1.615 -1.963 -10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.031 -4.000 -11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.065 -2.702 -12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.924 -1.699 -13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.696 -3.258 -13.178 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.611 -3.548 -15.220 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.549 -4.243 -14.105 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.380 -1.629 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.569 -4.054 -16.666 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.699 -3.403 -17.858 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.829 -0.798 -15.768 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.973 -1.567 -17.352 1.00 0.00 H new ATOM 276 N ARG A 22 0.685 0.319 -10.890 1.00 0.00 N ATOM 277 CA ARG A 22 0.173 1.684 -10.901 1.00 0.00 C ATOM 278 C ARG A 22 -0.710 1.923 -12.122 1.00 0.00 C ATOM 279 O ARG A 22 -0.283 1.721 -13.259 1.00 0.00 O ATOM 280 CB ARG A 22 1.329 2.685 -10.889 1.00 0.00 C ATOM 281 CG ARG A 22 0.878 4.136 -10.852 1.00 0.00 C ATOM 282 CD ARG A 22 0.524 4.573 -9.439 1.00 0.00 C ATOM 283 NE ARG A 22 1.626 5.280 -8.792 1.00 0.00 N ATOM 284 CZ ARG A 22 1.895 6.565 -8.997 1.00 0.00 C ATOM 285 NH1 ARG A 22 1.146 7.279 -9.826 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.915 7.138 -8.371 1.00 0.00 N ATOM 0 H ARG A 22 1.698 0.248 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.430 1.827 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.960 2.487 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.944 2.527 -11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.670 4.774 -11.244 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.013 4.266 -11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.353 5.219 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.256 3.699 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 22 2.221 4.759 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.361 6.842 -10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.355 8.265 -9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.493 6.592 -7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.121 8.124 -8.529 1.00 0.00 H new ATOM 300 N VAL A 23 -1.943 2.355 -11.879 1.00 0.00 N ATOM 301 CA VAL A 23 -2.886 2.623 -12.959 1.00 0.00 C ATOM 302 C VAL A 23 -2.479 3.861 -13.749 1.00 0.00 C ATOM 303 O VAL A 23 -2.314 4.943 -13.187 1.00 0.00 O ATOM 304 CB VAL A 23 -4.316 2.818 -12.420 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.297 3.013 -13.566 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.724 1.637 -11.553 1.00 0.00 C ATOM 0 H VAL A 23 -2.313 2.527 -10.944 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.869 1.754 -13.617 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.333 3.716 -11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.302 3.149 -13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.013 3.894 -14.142 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.280 2.136 -14.213 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.737 1.792 -11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.691 0.722 -12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.037 1.549 -10.711 1.00 0.00 H new ATOM 316 N GLY A 24 -2.320 3.695 -15.059 1.00 0.00 N ATOM 317 CA GLY A 24 -1.934 4.808 -15.906 1.00 0.00 C ATOM 318 C GLY A 24 -0.436 4.873 -16.131 1.00 0.00 C ATOM 319 O GLY A 24 0.022 5.358 -17.165 1.00 0.00 O ATOM 0 H GLY A 24 -2.452 2.810 -15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.439 4.721 -16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.271 5.740 -15.452 1.00 0.00 H new ATOM 323 N MET A 25 0.328 4.385 -15.160 1.00 0.00 N ATOM 324 CA MET A 25 1.783 4.391 -15.257 1.00 0.00 C ATOM 325 C MET A 25 2.326 2.970 -15.373 1.00 0.00 C ATOM 326 O MET A 25 1.839 2.054 -14.711 1.00 0.00 O ATOM 327 CB MET A 25 2.394 5.085 -14.038 1.00 0.00 C ATOM 328 CG MET A 25 2.661 6.566 -14.252 1.00 0.00 C ATOM 329 SD MET A 25 2.828 7.473 -12.703 1.00 0.00 S ATOM 330 CE MET A 25 3.918 6.384 -11.789 1.00 0.00 C ATOM 0 H MET A 25 -0.036 3.980 -14.297 1.00 0.00 H new ATOM 0 HA MET A 25 2.060 4.941 -16.156 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.723 4.964 -13.187 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.330 4.589 -13.779 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.572 6.686 -14.839 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.847 6.997 -14.835 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.102 6.801 -10.799 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.453 5.403 -11.690 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.864 6.285 -12.322 1.00 0.00 H new ATOM 340 N SER A 26 3.337 2.795 -16.218 1.00 0.00 N ATOM 341 CA SER A 26 3.943 1.484 -16.423 1.00 0.00 C ATOM 342 C SER A 26 5.142 1.289 -15.500 1.00 0.00 C ATOM 343 O SER A 26 5.964 0.399 -15.712 1.00 0.00 O ATOM 344 CB SER A 26 4.376 1.322 -17.881 1.00 0.00 C ATOM 345 OG SER A 26 4.274 -0.029 -18.297 1.00 0.00 O ATOM 0 H SER A 26 3.754 3.544 -16.771 1.00 0.00 H new ATOM 0 HA SER A 26 3.197 0.725 -16.186 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.755 1.950 -18.520 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.404 1.665 -17.999 1.00 0.00 H new ATOM 0 HG SER A 26 4.555 -0.105 -19.233 1.00 0.00 H new ATOM 351 N ALA A 27 5.234 2.130 -14.474 1.00 0.00 N ATOM 352 CA ALA A 27 6.330 2.050 -13.517 1.00 0.00 C ATOM 353 C ALA A 27 5.819 2.175 -12.085 1.00 0.00 C ATOM 354 O ALA A 27 4.613 2.234 -11.849 1.00 0.00 O ATOM 355 CB ALA A 27 7.363 3.129 -13.806 1.00 0.00 C ATOM 0 H ALA A 27 4.562 2.874 -14.285 1.00 0.00 H new ATOM 0 HA ALA A 27 6.801 1.073 -13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.176 3.057 -13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.759 2.993 -14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.895 4.110 -13.730 1.00 0.00 H new ATOM 361 N GLY A 28 6.745 2.214 -11.132 1.00 0.00 N ATOM 362 CA GLY A 28 6.368 2.331 -9.736 1.00 0.00 C ATOM 363 C GLY A 28 5.529 1.160 -9.262 1.00 0.00 C ATOM 364 O GLY A 28 4.621 1.329 -8.448 1.00 0.00 O ATOM 0 H GLY A 28 7.750 2.167 -11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.268 2.401 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.811 3.256 -9.590 1.00 0.00 H new ATOM 368 N TRP A 29 5.832 -0.027 -9.773 1.00 0.00 N ATOM 369 CA TRP A 29 5.098 -1.230 -9.398 1.00 0.00 C ATOM 370 C TRP A 29 5.565 -1.753 -8.044 1.00 0.00 C ATOM 371 O TRP A 29 6.711 -2.179 -7.894 1.00 0.00 O ATOM 372 CB TRP A 29 5.272 -2.313 -10.464 1.00 0.00 C ATOM 373 CG TRP A 29 4.636 -1.962 -11.775 1.00 0.00 C ATOM 374 CD1 TRP A 29 4.037 -0.780 -12.106 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.533 -2.803 -12.930 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.569 -0.835 -13.397 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.861 -2.065 -13.924 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.945 -4.106 -13.221 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.593 -2.589 -15.186 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.678 -4.625 -14.474 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.007 -3.868 -15.444 1.00 0.00 C ATOM 0 H TRP A 29 6.581 -0.183 -10.448 1.00 0.00 H new ATOM 0 HA TRP A 29 4.042 -0.971 -9.322 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.336 -2.491 -10.620 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.843 -3.246 -10.098 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.945 0.073 -11.450 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.083 -0.082 -13.884 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.463 -4.697 -12.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.077 -2.007 -15.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.992 -5.631 -14.710 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.813 -4.302 -16.414 1.00 0.00 H new ATOM 392 N LEU A 30 4.672 -1.720 -7.061 1.00 0.00 N ATOM 393 CA LEU A 30 4.993 -2.191 -5.719 1.00 0.00 C ATOM 394 C LEU A 30 4.909 -3.712 -5.641 1.00 0.00 C ATOM 395 O LEU A 30 3.818 -4.284 -5.603 1.00 0.00 O ATOM 396 CB LEU A 30 4.044 -1.564 -4.696 1.00 0.00 C ATOM 397 CG LEU A 30 3.728 -0.081 -4.895 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.811 0.422 -3.791 1.00 0.00 C ATOM 399 CD2 LEU A 30 5.010 0.736 -4.940 1.00 0.00 C ATOM 0 H LEU A 30 3.719 -1.372 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 30 6.015 -1.889 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.107 -2.120 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.475 -1.693 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 30 3.213 0.036 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.597 1.479 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.879 -0.143 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.299 0.291 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.766 1.789 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.553 0.613 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.631 0.393 -5.767 1.00 0.00 H new ATOM 411 N LEU A 31 6.067 -4.363 -5.617 1.00 0.00 N ATOM 412 CA LEU A 31 6.125 -5.819 -5.541 1.00 0.00 C ATOM 413 C LEU A 31 5.556 -6.318 -4.217 1.00 0.00 C ATOM 414 O LEU A 31 5.782 -5.717 -3.166 1.00 0.00 O ATOM 415 CB LEU A 31 7.567 -6.300 -5.704 1.00 0.00 C ATOM 416 CG LEU A 31 7.793 -7.806 -5.558 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.609 -8.505 -6.896 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.179 -8.085 -4.994 1.00 0.00 C ATOM 0 H LEU A 31 6.978 -3.906 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 31 5.519 -6.225 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.922 -5.993 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.185 -5.787 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 31 7.053 -8.200 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.774 -9.575 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.596 -8.333 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.325 -8.108 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.322 -9.161 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.934 -7.677 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.274 -7.616 -4.014 1.00 0.00 H new ATOM 430 N LEU A 32 4.820 -7.423 -4.274 1.00 0.00 N ATOM 431 CA LEU A 32 4.221 -8.006 -3.079 1.00 0.00 C ATOM 432 C LEU A 32 4.683 -9.446 -2.885 1.00 0.00 C ATOM 433 O LEU A 32 3.917 -10.387 -3.093 1.00 0.00 O ATOM 434 CB LEU A 32 2.695 -7.956 -3.173 1.00 0.00 C ATOM 435 CG LEU A 32 2.061 -6.568 -3.074 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.696 -6.555 -3.745 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.946 -6.137 -1.619 1.00 0.00 C ATOM 0 H LEU A 32 4.624 -7.933 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 32 4.545 -7.421 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.395 -8.404 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.282 -8.580 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 32 2.705 -5.858 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.260 -5.559 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.805 -6.819 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.043 -7.277 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.493 -5.147 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.324 -6.849 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.938 -6.105 -1.169 1.00 0.00 H new ATOM 449 N GLU A 33 5.939 -9.610 -2.483 1.00 0.00 N ATOM 450 CA GLU A 33 6.502 -10.937 -2.259 1.00 0.00 C ATOM 451 C GLU A 33 5.707 -11.694 -1.199 1.00 0.00 C ATOM 452 O GLU A 33 5.300 -11.122 -0.188 1.00 0.00 O ATOM 453 CB GLU A 33 7.968 -10.828 -1.833 1.00 0.00 C ATOM 454 CG GLU A 33 8.913 -11.656 -2.686 1.00 0.00 C ATOM 455 CD GLU A 33 9.041 -13.085 -2.196 1.00 0.00 C ATOM 456 OE1 GLU A 33 8.989 -13.298 -0.967 1.00 0.00 O ATOM 457 OE2 GLU A 33 9.194 -13.991 -3.043 1.00 0.00 O ATOM 0 H GLU A 33 6.586 -8.842 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 33 6.444 -11.491 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.274 -9.783 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.060 -11.143 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.557 -11.660 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.897 -11.188 -2.690 1.00 0.00 H new ATOM 464 N ASP A 34 5.490 -12.982 -1.440 1.00 0.00 N ATOM 465 CA ASP A 34 4.744 -13.818 -0.507 1.00 0.00 C ATOM 466 C ASP A 34 5.495 -13.962 0.813 1.00 0.00 C ATOM 467 O ASP A 34 6.608 -14.484 0.852 1.00 0.00 O ATOM 468 CB ASP A 34 4.490 -15.198 -1.116 1.00 0.00 C ATOM 469 CG ASP A 34 4.117 -16.232 -0.072 1.00 0.00 C ATOM 470 OD1 ASP A 34 5.027 -16.723 0.629 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.916 -16.551 0.044 1.00 0.00 O ATOM 0 H ASP A 34 5.820 -13.470 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 34 3.787 -13.335 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.690 -15.125 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.383 -15.528 -1.647 1.00 0.00 H new ATOM 476 N GLY A 35 4.877 -13.495 1.894 1.00 0.00 N ATOM 477 CA GLY A 35 5.502 -13.580 3.201 1.00 0.00 C ATOM 478 C GLY A 35 6.341 -12.359 3.523 1.00 0.00 C ATOM 479 O GLY A 35 7.149 -12.380 4.452 1.00 0.00 O ATOM 0 H GLY A 35 3.955 -13.059 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.731 -13.698 3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.130 -14.470 3.243 1.00 0.00 H new ATOM 483 N CYS A 36 6.150 -11.293 2.754 1.00 0.00 N ATOM 484 CA CYS A 36 6.898 -10.057 2.960 1.00 0.00 C ATOM 485 C CYS A 36 5.953 -8.878 3.169 1.00 0.00 C ATOM 486 O CYS A 36 5.187 -8.520 2.276 1.00 0.00 O ATOM 487 CB CYS A 36 7.815 -9.787 1.767 1.00 0.00 C ATOM 488 SG CYS A 36 9.344 -10.751 1.778 1.00 0.00 S ATOM 0 H CYS A 36 5.484 -11.259 1.982 1.00 0.00 H new ATOM 0 HA CYS A 36 7.506 -10.174 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.270 -10.001 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.067 -8.727 1.749 1.00 0.00 H new ATOM 0 HG CYS A 36 10.241 -10.133 2.487 1.00 0.00 H new ATOM 494 N GLU A 37 6.013 -8.281 4.355 1.00 0.00 N ATOM 495 CA GLU A 37 5.160 -7.144 4.681 1.00 0.00 C ATOM 496 C GLU A 37 5.483 -5.949 3.790 1.00 0.00 C ATOM 497 O GLU A 37 6.645 -5.575 3.630 1.00 0.00 O ATOM 498 CB GLU A 37 5.328 -6.757 6.152 1.00 0.00 C ATOM 499 CG GLU A 37 4.035 -6.318 6.818 1.00 0.00 C ATOM 500 CD GLU A 37 4.268 -5.636 8.152 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.255 -4.880 8.268 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.462 -5.858 9.080 1.00 0.00 O ATOM 0 H GLU A 37 6.643 -8.565 5.105 1.00 0.00 H new ATOM 0 HA GLU A 37 4.125 -7.437 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.737 -7.607 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.057 -5.950 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.502 -5.637 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.394 -7.187 6.966 1.00 0.00 H new ATOM 509 N VAL A 38 4.446 -5.353 3.210 1.00 0.00 N ATOM 510 CA VAL A 38 4.618 -4.199 2.335 1.00 0.00 C ATOM 511 C VAL A 38 3.900 -2.975 2.892 1.00 0.00 C ATOM 512 O VAL A 38 2.676 -2.866 2.807 1.00 0.00 O ATOM 513 CB VAL A 38 4.092 -4.488 0.916 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.250 -3.263 0.029 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.810 -5.688 0.317 1.00 0.00 C ATOM 0 H VAL A 38 3.478 -5.650 3.330 1.00 0.00 H new ATOM 0 HA VAL A 38 5.688 -3.997 2.284 1.00 0.00 H new ATOM 0 HB VAL A 38 3.030 -4.725 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.873 -3.486 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.686 -2.432 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.304 -2.992 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.426 -5.878 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.879 -5.483 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.640 -6.564 0.943 1.00 0.00 H new ATOM 525 N THR A 39 4.669 -2.053 3.462 1.00 0.00 N ATOM 526 CA THR A 39 4.108 -0.836 4.034 1.00 0.00 C ATOM 527 C THR A 39 4.300 0.351 3.098 1.00 0.00 C ATOM 528 O THR A 39 5.413 0.626 2.648 1.00 0.00 O ATOM 529 CB THR A 39 4.746 -0.509 5.398 1.00 0.00 C ATOM 530 OG1 THR A 39 6.090 -0.051 5.212 1.00 0.00 O ATOM 531 CG2 THR A 39 4.742 -1.731 6.304 1.00 0.00 C ATOM 0 H THR A 39 5.683 -2.126 3.540 1.00 0.00 H new ATOM 0 HA THR A 39 3.042 -1.016 4.174 1.00 0.00 H new ATOM 0 HB THR A 39 4.157 0.276 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.690 -0.546 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.197 -1.476 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.716 -2.060 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.310 -2.534 5.834 1.00 0.00 H new ATOM 539 N VAL A 40 3.210 1.054 2.808 1.00 0.00 N ATOM 540 CA VAL A 40 3.259 2.214 1.926 1.00 0.00 C ATOM 541 C VAL A 40 2.992 3.502 2.697 1.00 0.00 C ATOM 542 O VAL A 40 2.195 3.523 3.633 1.00 0.00 O ATOM 543 CB VAL A 40 2.236 2.092 0.781 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.416 3.225 -0.218 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.363 0.740 0.096 1.00 0.00 C ATOM 0 H VAL A 40 2.281 0.840 3.171 1.00 0.00 H new ATOM 0 HA VAL A 40 4.263 2.249 1.504 1.00 0.00 H new ATOM 0 HB VAL A 40 1.233 2.167 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.685 3.123 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.271 4.181 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.422 3.185 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.633 0.671 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.367 0.633 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.180 -0.054 0.820 1.00 0.00 H new ATOM 555 N GLY A 41 3.666 4.576 2.295 1.00 0.00 N ATOM 556 CA GLY A 41 3.487 5.854 2.958 1.00 0.00 C ATOM 557 C GLY A 41 4.395 6.930 2.397 1.00 0.00 C ATOM 558 O GLY A 41 4.606 7.005 1.186 1.00 0.00 O ATOM 0 H GLY A 41 4.332 4.583 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.449 6.170 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.682 5.737 4.024 1.00 0.00 H new ATOM 562 N ARG A 42 4.933 7.767 3.278 1.00 0.00 N ATOM 563 CA ARG A 42 5.822 8.846 2.863 1.00 0.00 C ATOM 564 C ARG A 42 7.022 8.953 3.799 1.00 0.00 C ATOM 565 O ARG A 42 7.617 10.020 3.943 1.00 0.00 O ATOM 566 CB ARG A 42 5.065 10.175 2.833 1.00 0.00 C ATOM 567 CG ARG A 42 4.554 10.616 4.195 1.00 0.00 C ATOM 568 CD ARG A 42 4.483 12.131 4.301 1.00 0.00 C ATOM 569 NE ARG A 42 5.737 12.705 4.783 1.00 0.00 N ATOM 570 CZ ARG A 42 5.831 13.914 5.325 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.751 14.672 5.454 1.00 0.00 N ATOM 572 NH2 ARG A 42 7.007 14.367 5.740 1.00 0.00 N ATOM 0 H ARG A 42 4.769 7.719 4.284 1.00 0.00 H new ATOM 0 HA ARG A 42 6.185 8.619 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.721 10.948 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.221 10.087 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.565 10.192 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.209 10.226 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.243 12.552 3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.674 12.410 4.976 1.00 0.00 H new ATOM 0 HE ARG A 42 6.587 12.147 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.845 14.327 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.826 15.600 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.840 13.787 5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.078 15.296 6.156 1.00 0.00 H new ATOM 586 N GLY A 43 7.371 7.839 4.435 1.00 0.00 N ATOM 587 CA GLY A 43 8.498 7.829 5.349 1.00 0.00 C ATOM 588 C GLY A 43 9.688 7.071 4.795 1.00 0.00 C ATOM 589 O GLY A 43 9.654 6.589 3.663 1.00 0.00 O ATOM 0 H GLY A 43 6.893 6.943 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.794 8.855 5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.192 7.379 6.293 1.00 0.00 H new ATOM 593 N PHE A 44 10.744 6.965 5.594 1.00 0.00 N ATOM 594 CA PHE A 44 11.952 6.262 5.176 1.00 0.00 C ATOM 595 C PHE A 44 11.940 4.818 5.670 1.00 0.00 C ATOM 596 O PHE A 44 12.563 3.942 5.074 1.00 0.00 O ATOM 597 CB PHE A 44 13.195 6.983 5.703 1.00 0.00 C ATOM 598 CG PHE A 44 13.669 8.092 4.808 1.00 0.00 C ATOM 599 CD1 PHE A 44 14.529 7.829 3.753 1.00 0.00 C ATOM 600 CD2 PHE A 44 13.256 9.397 5.021 1.00 0.00 C ATOM 601 CE1 PHE A 44 14.967 8.847 2.927 1.00 0.00 C ATOM 602 CE2 PHE A 44 13.691 10.419 4.199 1.00 0.00 C ATOM 603 CZ PHE A 44 14.548 10.144 3.151 1.00 0.00 C ATOM 0 H PHE A 44 10.788 7.357 6.535 1.00 0.00 H new ATOM 0 HA PHE A 44 11.979 6.254 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.977 7.391 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 44 14.000 6.259 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 44 14.861 6.817 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.586 9.618 5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.636 8.629 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.361 11.432 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.890 10.942 2.508 1.00 0.00 H new ATOM 613 N GLY A 45 11.224 4.580 6.765 1.00 0.00 N ATOM 614 CA GLY A 45 11.144 3.242 7.322 1.00 0.00 C ATOM 615 C GLY A 45 10.272 2.320 6.493 1.00 0.00 C ATOM 616 O GLY A 45 10.559 1.130 6.365 1.00 0.00 O ATOM 0 H GLY A 45 10.698 5.289 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.147 2.821 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.748 3.297 8.336 1.00 0.00 H new ATOM 620 N VAL A 46 9.201 2.870 5.929 1.00 0.00 N ATOM 621 CA VAL A 46 8.283 2.089 5.109 1.00 0.00 C ATOM 622 C VAL A 46 8.996 1.495 3.899 1.00 0.00 C ATOM 623 O VAL A 46 9.917 2.100 3.348 1.00 0.00 O ATOM 624 CB VAL A 46 7.098 2.945 4.623 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.141 3.233 5.769 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.597 4.239 3.996 1.00 0.00 C ATOM 0 H VAL A 46 8.948 3.853 6.025 1.00 0.00 H new ATOM 0 HA VAL A 46 7.906 1.282 5.737 1.00 0.00 H new ATOM 0 HB VAL A 46 6.556 2.384 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.311 3.839 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.758 2.294 6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.668 3.773 6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.747 4.831 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.164 4.806 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.238 4.008 3.146 1.00 0.00 H new ATOM 636 N THR A 47 8.565 0.306 3.490 1.00 0.00 N ATOM 637 CA THR A 47 9.163 -0.371 2.346 1.00 0.00 C ATOM 638 C THR A 47 8.981 0.442 1.069 1.00 0.00 C ATOM 639 O THR A 47 9.798 0.365 0.151 1.00 0.00 O ATOM 640 CB THR A 47 8.553 -1.771 2.141 1.00 0.00 C ATOM 641 OG1 THR A 47 8.580 -2.502 3.371 1.00 0.00 O ATOM 642 CG2 THR A 47 9.314 -2.540 1.071 1.00 0.00 C ATOM 0 H THR A 47 7.804 -0.208 3.934 1.00 0.00 H new ATOM 0 HA THR A 47 10.227 -0.473 2.560 1.00 0.00 H new ATOM 0 HB THR A 47 7.520 -1.650 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.444 -2.955 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.866 -3.525 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.267 -1.995 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.355 -2.651 1.374 1.00 0.00 H new ATOM 650 N TYR A 48 7.907 1.221 1.018 1.00 0.00 N ATOM 651 CA TYR A 48 7.618 2.048 -0.148 1.00 0.00 C ATOM 652 C TYR A 48 7.268 3.474 0.268 1.00 0.00 C ATOM 653 O TYR A 48 6.300 3.700 0.993 1.00 0.00 O ATOM 654 CB TYR A 48 6.467 1.444 -0.955 1.00 0.00 C ATOM 655 CG TYR A 48 6.842 0.175 -1.687 1.00 0.00 C ATOM 656 CD1 TYR A 48 7.881 0.163 -2.609 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.156 -1.011 -1.457 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.226 -0.994 -3.281 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.495 -2.173 -2.123 1.00 0.00 C ATOM 660 CZ TYR A 48 7.531 -2.159 -3.034 1.00 0.00 C ATOM 661 OH TYR A 48 7.871 -3.314 -3.701 1.00 0.00 O ATOM 0 H TYR A 48 7.222 1.298 1.770 1.00 0.00 H new ATOM 0 HA TYR A 48 8.513 2.079 -0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.635 1.234 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.115 2.180 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.428 1.073 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.344 -1.025 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.036 -0.986 -3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.952 -3.087 -1.932 1.00 0.00 H new ATOM 0 HH TYR A 48 7.285 -4.044 -3.411 1.00 0.00 H new ATOM 671 N GLN A 49 8.065 4.431 -0.197 1.00 0.00 N ATOM 672 CA GLN A 49 7.841 5.835 0.127 1.00 0.00 C ATOM 673 C GLN A 49 7.317 6.596 -1.086 1.00 0.00 C ATOM 674 O GLN A 49 7.743 6.353 -2.216 1.00 0.00 O ATOM 675 CB GLN A 49 9.135 6.478 0.627 1.00 0.00 C ATOM 676 CG GLN A 49 8.966 7.923 1.067 1.00 0.00 C ATOM 677 CD GLN A 49 10.235 8.505 1.658 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.343 8.120 1.283 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.080 9.439 2.589 1.00 0.00 N ATOM 0 H GLN A 49 8.871 4.260 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 49 7.091 5.884 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.521 5.895 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.883 6.433 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.658 8.525 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.165 7.983 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.143 9.728 2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.898 9.867 3.023 1.00 0.00 H new ATOM 688 N LEU A 50 6.390 7.517 -0.846 1.00 0.00 N ATOM 689 CA LEU A 50 5.807 8.315 -1.919 1.00 0.00 C ATOM 690 C LEU A 50 5.625 9.765 -1.483 1.00 0.00 C ATOM 691 O LEU A 50 4.890 10.052 -0.538 1.00 0.00 O ATOM 692 CB LEU A 50 4.461 7.726 -2.345 1.00 0.00 C ATOM 693 CG LEU A 50 4.424 6.209 -2.540 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.989 5.704 -2.520 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.110 5.821 -3.841 1.00 0.00 C ATOM 0 H LEU A 50 6.026 7.730 0.083 1.00 0.00 H new ATOM 0 HA LEU A 50 6.491 8.294 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.716 7.994 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.159 8.200 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 50 4.964 5.743 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.982 4.623 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.530 5.949 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.425 6.178 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.074 4.738 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.599 6.297 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.149 6.149 -3.816 1.00 0.00 H new ATOM 707 N VAL A 51 6.299 10.676 -2.178 1.00 0.00 N ATOM 708 CA VAL A 51 6.209 12.097 -1.865 1.00 0.00 C ATOM 709 C VAL A 51 5.822 12.907 -3.097 1.00 0.00 C ATOM 710 O VAL A 51 6.360 12.699 -4.185 1.00 0.00 O ATOM 711 CB VAL A 51 7.541 12.634 -1.309 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.401 14.095 -0.907 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.004 11.790 -0.131 1.00 0.00 C ATOM 0 H VAL A 51 6.913 10.455 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 51 5.436 12.206 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 51 8.296 12.569 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.352 14.458 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.117 14.686 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.634 14.189 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.947 12.183 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.252 11.822 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.145 10.759 -0.455 1.00 0.00 H new ATOM 723 N SER A 52 4.886 13.834 -2.919 1.00 0.00 N ATOM 724 CA SER A 52 4.423 14.675 -4.017 1.00 0.00 C ATOM 725 C SER A 52 4.384 16.141 -3.599 1.00 0.00 C ATOM 726 O SER A 52 3.968 16.472 -2.488 1.00 0.00 O ATOM 727 CB SER A 52 3.036 14.228 -4.480 1.00 0.00 C ATOM 728 OG SER A 52 2.866 14.449 -5.870 1.00 0.00 O ATOM 0 H SER A 52 4.433 14.022 -2.024 1.00 0.00 H new ATOM 0 HA SER A 52 5.125 14.570 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.898 13.170 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.271 14.772 -3.926 1.00 0.00 H new ATOM 0 HG SER A 52 1.972 14.153 -6.141 1.00 0.00 H new ATOM 734 N LYS A 53 4.821 17.018 -4.496 1.00 0.00 N ATOM 735 CA LYS A 53 4.836 18.450 -4.224 1.00 0.00 C ATOM 736 C LYS A 53 3.420 19.016 -4.210 1.00 0.00 C ATOM 737 O LYS A 53 3.155 20.034 -3.570 1.00 0.00 O ATOM 738 CB LYS A 53 5.678 19.181 -5.272 1.00 0.00 C ATOM 739 CG LYS A 53 7.130 19.365 -4.865 1.00 0.00 C ATOM 740 CD LYS A 53 7.824 18.029 -4.657 1.00 0.00 C ATOM 741 CE LYS A 53 7.871 17.648 -3.185 1.00 0.00 C ATOM 742 NZ LYS A 53 9.061 16.813 -2.866 1.00 0.00 N ATOM 0 H LYS A 53 5.170 16.761 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 53 5.279 18.602 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.640 18.625 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.236 20.159 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.655 19.933 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.180 19.949 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.300 17.255 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.838 18.079 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.888 18.552 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.964 17.103 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.056 16.574 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.032 15.938 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.927 17.342 -3.093 1.00 0.00 H new ATOM 756 N ILE A 54 2.514 18.350 -4.918 1.00 0.00 N ATOM 757 CA ILE A 54 1.125 18.786 -4.984 1.00 0.00 C ATOM 758 C ILE A 54 0.416 18.565 -3.652 1.00 0.00 C ATOM 759 O ILE A 54 -0.168 19.491 -3.087 1.00 0.00 O ATOM 760 CB ILE A 54 0.354 18.044 -6.092 1.00 0.00 C ATOM 761 CG1 ILE A 54 1.024 18.272 -7.449 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.095 18.504 -6.127 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.102 19.729 -7.848 1.00 0.00 C ATOM 0 H ILE A 54 2.717 17.506 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 54 1.139 19.851 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 54 0.371 16.976 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.031 17.857 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.474 17.723 -8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.627 17.971 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.566 18.296 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.132 19.575 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.588 19.815 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.096 20.144 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.678 20.280 -7.104 1.00 0.00 H new ATOM 775 N CYS A 55 0.472 17.334 -3.155 1.00 0.00 N ATOM 776 CA CYS A 55 -0.164 16.991 -1.888 1.00 0.00 C ATOM 777 C CYS A 55 0.689 16.003 -1.101 1.00 0.00 C ATOM 778 O CYS A 55 0.369 14.819 -0.990 1.00 0.00 O ATOM 779 CB CYS A 55 -1.554 16.401 -2.135 1.00 0.00 C ATOM 780 SG CYS A 55 -1.590 15.097 -3.387 1.00 0.00 S ATOM 0 H CYS A 55 0.951 16.557 -3.610 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.264 17.904 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.939 16.000 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.228 17.202 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.807 14.660 -3.523 1.00 0.00 H new ATOM 786 N PRO A 56 1.804 16.497 -0.542 1.00 0.00 N ATOM 787 CA PRO A 56 2.728 15.673 0.244 1.00 0.00 C ATOM 788 C PRO A 56 2.130 15.246 1.580 1.00 0.00 C ATOM 789 O PRO A 56 2.624 14.320 2.225 1.00 0.00 O ATOM 790 CB PRO A 56 3.927 16.599 0.466 1.00 0.00 C ATOM 791 CG PRO A 56 3.365 17.976 0.370 1.00 0.00 C ATOM 792 CD PRO A 56 2.248 17.898 -0.634 1.00 0.00 C ATOM 0 HA PRO A 56 2.979 14.743 -0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.386 16.426 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.700 16.433 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.997 18.316 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.127 18.687 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.442 18.592 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.592 18.145 -1.638 1.00 0.00 H new ATOM 800 N LEU A 57 1.065 15.924 1.990 1.00 0.00 N ATOM 801 CA LEU A 57 0.398 15.614 3.250 1.00 0.00 C ATOM 802 C LEU A 57 -0.638 14.511 3.061 1.00 0.00 C ATOM 803 O LEU A 57 -0.987 13.806 4.007 1.00 0.00 O ATOM 804 CB LEU A 57 -0.271 16.867 3.818 1.00 0.00 C ATOM 805 CG LEU A 57 0.646 18.065 4.064 1.00 0.00 C ATOM 806 CD1 LEU A 57 -0.166 19.283 4.477 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.686 17.732 5.123 1.00 0.00 C ATOM 0 H LEU A 57 0.644 16.693 1.468 1.00 0.00 H new ATOM 0 HA LEU A 57 1.152 15.262 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.061 17.175 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.751 16.603 4.760 1.00 0.00 H new ATOM 0 HG LEU A 57 1.165 18.298 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.504 20.126 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.872 19.535 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.712 19.062 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.330 18.596 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.185 17.473 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.289 16.888 4.788 1.00 0.00 H new ATOM 819 N MET A 58 -1.124 14.367 1.833 1.00 0.00 N ATOM 820 CA MET A 58 -2.117 13.347 1.519 1.00 0.00 C ATOM 821 C MET A 58 -1.659 11.974 2.002 1.00 0.00 C ATOM 822 O MET A 58 -2.446 11.205 2.554 1.00 0.00 O ATOM 823 CB MET A 58 -2.382 13.308 0.013 1.00 0.00 C ATOM 824 CG MET A 58 -3.528 12.390 -0.379 1.00 0.00 C ATOM 825 SD MET A 58 -5.130 13.002 0.178 1.00 0.00 S ATOM 826 CE MET A 58 -5.370 14.385 -0.934 1.00 0.00 C ATOM 0 H MET A 58 -0.846 14.944 1.039 1.00 0.00 H new ATOM 0 HA MET A 58 -3.041 13.605 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.601 14.317 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.476 12.983 -0.499 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.543 12.277 -1.463 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.355 11.400 0.042 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.330 14.857 -0.725 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.570 15.111 -0.790 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.357 14.030 -1.964 1.00 0.00 H new ATOM 836 N ILE A 59 -0.382 11.674 1.790 1.00 0.00 N ATOM 837 CA ILE A 59 0.181 10.395 2.205 1.00 0.00 C ATOM 838 C ILE A 59 0.918 10.523 3.533 1.00 0.00 C ATOM 839 O ILE A 59 1.722 11.436 3.723 1.00 0.00 O ATOM 840 CB ILE A 59 1.148 9.835 1.145 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.480 9.822 -0.231 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.604 8.436 1.531 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.785 8.993 -0.282 1.00 0.00 C ATOM 0 H ILE A 59 0.282 12.299 1.333 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.655 9.706 2.322 1.00 0.00 H new ATOM 0 HB ILE A 59 2.024 10.482 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.245 10.846 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.187 9.436 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.287 8.054 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.114 8.472 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.738 7.778 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.204 9.030 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.554 7.960 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.510 9.391 0.428 1.00 0.00 H new ATOM 855 N SER A 60 0.640 9.601 4.450 1.00 0.00 N ATOM 856 CA SER A 60 1.276 9.612 5.762 1.00 0.00 C ATOM 857 C SER A 60 2.378 8.560 5.840 1.00 0.00 C ATOM 858 O SER A 60 2.510 7.716 4.953 1.00 0.00 O ATOM 859 CB SER A 60 0.238 9.362 6.857 1.00 0.00 C ATOM 860 OG SER A 60 -0.360 10.575 7.279 1.00 0.00 O ATOM 0 H SER A 60 -0.021 8.837 4.308 1.00 0.00 H new ATOM 0 HA SER A 60 1.724 10.594 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.530 8.684 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.712 8.872 7.707 1.00 0.00 H new ATOM 0 HG SER A 60 -1.021 10.388 7.978 1.00 0.00 H new ATOM 866 N ARG A 61 3.168 8.617 6.908 1.00 0.00 N ATOM 867 CA ARG A 61 4.260 7.671 7.103 1.00 0.00 C ATOM 868 C ARG A 61 3.764 6.234 6.971 1.00 0.00 C ATOM 869 O ARG A 61 4.316 5.444 6.206 1.00 0.00 O ATOM 870 CB ARG A 61 4.902 7.876 8.476 1.00 0.00 C ATOM 871 CG ARG A 61 6.114 6.993 8.719 1.00 0.00 C ATOM 872 CD ARG A 61 6.778 7.312 10.050 1.00 0.00 C ATOM 873 NE ARG A 61 7.741 6.286 10.441 1.00 0.00 N ATOM 874 CZ ARG A 61 8.656 6.460 11.389 1.00 0.00 C ATOM 875 NH1 ARG A 61 8.731 7.613 12.038 1.00 0.00 N ATOM 876 NH2 ARG A 61 9.497 5.478 11.688 1.00 0.00 N ATOM 0 H ARG A 61 3.072 9.309 7.651 1.00 0.00 H new ATOM 0 HA ARG A 61 5.007 7.852 6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.198 8.920 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.159 7.679 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.812 5.946 8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.833 7.129 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.283 8.276 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.015 7.406 10.823 1.00 0.00 H new ATOM 0 HE ARG A 61 7.710 5.387 9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.086 8.369 11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.434 7.744 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.441 4.589 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.199 5.612 12.416 1.00 0.00 H new ATOM 890 N ASN A 62 2.719 5.903 7.722 1.00 0.00 N ATOM 891 CA ASN A 62 2.149 4.561 7.690 1.00 0.00 C ATOM 892 C ASN A 62 0.723 4.588 7.150 1.00 0.00 C ATOM 893 O ASN A 62 -0.226 4.239 7.853 1.00 0.00 O ATOM 894 CB ASN A 62 2.164 3.944 9.091 1.00 0.00 C ATOM 895 CG ASN A 62 3.571 3.701 9.600 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.087 4.461 10.420 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.200 2.637 9.115 1.00 0.00 N ATOM 0 H ASN A 62 2.250 6.545 8.360 1.00 0.00 H new ATOM 0 HA ASN A 62 2.759 3.950 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.640 4.604 9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.618 3.001 9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.149 2.422 9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.734 2.034 8.437 1.00 0.00 H new ATOM 904 N HIS A 63 0.579 5.005 5.896 1.00 0.00 N ATOM 905 CA HIS A 63 -0.732 5.076 5.260 1.00 0.00 C ATOM 906 C HIS A 63 -1.453 3.735 5.348 1.00 0.00 C ATOM 907 O HIS A 63 -2.489 3.618 6.003 1.00 0.00 O ATOM 908 CB HIS A 63 -0.590 5.497 3.796 1.00 0.00 C ATOM 909 CG HIS A 63 -1.768 6.260 3.275 1.00 0.00 C ATOM 910 ND1 HIS A 63 -1.781 7.633 3.151 1.00 0.00 N ATOM 911 CD2 HIS A 63 -2.978 5.834 2.844 1.00 0.00 C ATOM 912 CE1 HIS A 63 -2.948 8.019 2.667 1.00 0.00 C ATOM 913 NE2 HIS A 63 -3.693 6.946 2.471 1.00 0.00 N ATOM 0 H HIS A 63 1.353 5.299 5.300 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.325 5.822 5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.305 6.109 3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.444 4.607 3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.318 4.810 2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.243 9.038 2.466 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.644 6.944 2.103 1.00 0.00 H new ATOM 921 N CYS A 64 -0.899 2.726 4.685 1.00 0.00 N ATOM 922 CA CYS A 64 -1.490 1.393 4.687 1.00 0.00 C ATOM 923 C CYS A 64 -0.409 0.319 4.621 1.00 0.00 C ATOM 924 O CYS A 64 0.738 0.597 4.270 1.00 0.00 O ATOM 925 CB CYS A 64 -2.453 1.237 3.509 1.00 0.00 C ATOM 926 SG CYS A 64 -1.640 1.144 1.897 1.00 0.00 S ATOM 0 H CYS A 64 -0.041 2.806 4.139 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.043 1.270 5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -3.047 0.335 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.146 2.078 3.506 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.537 1.011 0.966 1.00 0.00 H new ATOM 932 N VAL A 65 -0.782 -0.911 4.962 1.00 0.00 N ATOM 933 CA VAL A 65 0.155 -2.028 4.942 1.00 0.00 C ATOM 934 C VAL A 65 -0.478 -3.265 4.317 1.00 0.00 C ATOM 935 O VAL A 65 -1.681 -3.494 4.447 1.00 0.00 O ATOM 936 CB VAL A 65 0.645 -2.375 6.360 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.700 -3.469 6.308 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.185 -1.135 7.056 1.00 0.00 C ATOM 0 H VAL A 65 -1.727 -1.159 5.255 1.00 0.00 H new ATOM 0 HA VAL A 65 1.007 -1.716 4.338 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.202 -2.747 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.034 -3.701 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.275 -4.363 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.549 -3.128 5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.527 -1.399 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.019 -0.730 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.397 -0.386 7.128 1.00 0.00 H new ATOM 948 N LEU A 66 0.340 -4.062 3.638 1.00 0.00 N ATOM 949 CA LEU A 66 -0.140 -5.279 2.992 1.00 0.00 C ATOM 950 C LEU A 66 0.535 -6.513 3.585 1.00 0.00 C ATOM 951 O LEU A 66 1.722 -6.488 3.911 1.00 0.00 O ATOM 952 CB LEU A 66 0.119 -5.217 1.486 1.00 0.00 C ATOM 953 CG LEU A 66 -0.925 -4.470 0.656 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.374 -3.134 0.182 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.370 -5.315 -0.529 1.00 0.00 C ATOM 0 H LEU A 66 1.338 -3.888 3.521 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.213 -5.355 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.088 -4.746 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.193 -6.237 1.108 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.793 -4.279 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.131 -2.617 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.106 -2.524 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.511 -3.303 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.113 -4.767 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.510 -5.538 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.806 -6.247 -0.168 1.00 0.00 H new ATOM 967 N LYS A 67 -0.230 -7.591 3.719 1.00 0.00 N ATOM 968 CA LYS A 67 0.294 -8.836 4.269 1.00 0.00 C ATOM 969 C LYS A 67 -0.640 -10.002 3.961 1.00 0.00 C ATOM 970 O LYS A 67 -1.825 -9.805 3.692 1.00 0.00 O ATOM 971 CB LYS A 67 0.485 -8.709 5.782 1.00 0.00 C ATOM 972 CG LYS A 67 -0.739 -8.177 6.507 1.00 0.00 C ATOM 973 CD LYS A 67 -0.567 -6.718 6.895 1.00 0.00 C ATOM 974 CE LYS A 67 0.009 -6.577 8.296 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.222 -5.218 8.857 1.00 0.00 N ATOM 0 H LYS A 67 -1.214 -7.628 3.454 1.00 0.00 H new ATOM 0 HA LYS A 67 1.259 -9.032 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.743 -9.686 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.329 -8.048 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.616 -8.284 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.921 -8.773 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.091 -6.225 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.531 -6.211 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.443 -7.322 8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.079 -6.782 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.352 -5.094 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.048 -4.501 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.228 -5.107 9.095 1.00 0.00 H new ATOM 989 N GLN A 68 -0.099 -11.215 4.002 1.00 0.00 N ATOM 990 CA GLN A 68 -0.885 -12.412 3.728 1.00 0.00 C ATOM 991 C GLN A 68 -1.384 -13.045 5.023 1.00 0.00 C ATOM 992 O GLN A 68 -0.595 -13.531 5.831 1.00 0.00 O ATOM 993 CB GLN A 68 -0.053 -13.425 2.939 1.00 0.00 C ATOM 994 CG GLN A 68 0.391 -12.918 1.576 1.00 0.00 C ATOM 995 CD GLN A 68 1.207 -13.940 0.811 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.301 -14.319 1.230 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.678 -14.393 -0.320 1.00 0.00 N ATOM 0 H GLN A 68 0.881 -11.395 4.222 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.749 -12.119 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.828 -13.692 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.636 -14.336 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.487 -12.647 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.981 -12.010 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.232 -14.052 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.182 -15.082 -0.878 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.699 -13.034 5.213 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.303 -13.606 6.410 1.00 0.00 C ATOM 1008 C ASN A 69 -2.808 -15.030 6.643 1.00 0.00 C ATOM 1009 O ASN A 69 -2.298 -15.691 5.738 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.829 -13.598 6.291 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.314 -14.288 5.031 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.715 -15.261 4.573 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.404 -13.785 4.463 1.00 0.00 N ATOM 0 H ASN A 69 -3.367 -12.635 4.553 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.008 -12.994 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.261 -14.091 7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.186 -12.568 6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.777 -14.207 3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.868 -12.977 4.877 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.960 -15.515 7.884 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.536 -16.865 8.264 1.00 0.00 C ATOM 1022 C PRO A 70 -3.039 -17.926 7.292 1.00 0.00 C ATOM 1023 O PRO A 70 -2.432 -18.987 7.148 1.00 0.00 O ATOM 1024 CB PRO A 70 -3.169 -17.061 9.644 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.306 -15.684 10.197 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.560 -14.782 9.012 1.00 0.00 C ATOM 0 HA PRO A 70 -1.451 -16.967 8.259 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.137 -17.556 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.542 -17.683 10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.128 -15.630 10.911 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.402 -15.385 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.626 -14.612 8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.098 -13.804 9.146 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.152 -17.632 6.626 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.736 -18.563 5.667 1.00 0.00 C ATOM 1036 C GLU A 71 -3.838 -18.717 4.443 1.00 0.00 C ATOM 1037 O GLU A 71 -3.693 -19.812 3.900 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.124 -18.084 5.238 1.00 0.00 C ATOM 1039 CG GLU A 71 -7.017 -17.686 6.401 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.490 -17.890 6.102 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.967 -19.037 6.232 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.164 -16.904 5.739 1.00 0.00 O ATOM 0 H GLU A 71 -4.666 -16.758 6.733 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.829 -19.534 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.014 -17.232 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.613 -18.876 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.744 -18.270 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.842 -16.639 6.647 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.238 -17.612 4.013 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.363 -17.645 2.856 1.00 0.00 C ATOM 1051 C GLY A 72 -2.864 -16.769 1.724 1.00 0.00 C ATOM 1052 O GLY A 72 -2.484 -16.959 0.569 1.00 0.00 O ATOM 0 H GLY A 72 -3.342 -16.694 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.365 -17.319 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.271 -18.672 2.503 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.721 -15.809 2.056 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.277 -14.904 1.058 1.00 0.00 C ATOM 1058 C GLN A 73 -3.941 -13.454 1.390 1.00 0.00 C ATOM 1059 O GLN A 73 -4.027 -13.036 2.545 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.794 -15.080 0.967 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.479 -14.024 0.114 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.019 -14.052 -1.330 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.213 -14.897 -1.720 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.530 -13.126 -2.133 1.00 0.00 N ATOM 0 H GLN A 73 -4.045 -15.638 3.008 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.831 -15.150 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.013 -16.065 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.215 -15.053 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.558 -14.176 0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.282 -13.038 0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.195 -12.445 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.257 -13.096 -3.115 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.557 -12.692 0.372 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.207 -11.289 0.557 1.00 0.00 C ATOM 1075 C TRP A 74 -4.399 -10.495 1.081 1.00 0.00 C ATOM 1076 O TRP A 74 -5.534 -10.700 0.647 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.716 -10.686 -0.760 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.280 -10.994 -1.055 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.804 -11.848 -2.008 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.133 -10.452 -0.391 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.570 -11.870 -1.977 1.00 0.00 N ATOM 1082 CE2 TRP A 74 1.006 -11.021 -0.994 1.00 0.00 C ATOM 1083 CE3 TRP A 74 0.043 -9.539 0.653 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.299 -10.707 -0.586 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.327 -9.229 1.057 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.442 -9.811 0.439 1.00 0.00 C ATOM 0 H TRP A 74 -3.480 -13.022 -0.590 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.406 -11.235 1.294 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.335 -11.060 -1.576 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.849 -9.605 -0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.417 -12.422 -2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.168 -12.428 -2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.810 -9.084 1.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.159 -11.155 -1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.474 -8.526 1.863 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.433 -9.548 0.778 1.00 0.00 H new ATOM 1097 N THR A 75 -4.136 -9.587 2.016 1.00 0.00 N ATOM 1098 CA THR A 75 -5.187 -8.763 2.599 1.00 0.00 C ATOM 1099 C THR A 75 -4.666 -7.374 2.949 1.00 0.00 C ATOM 1100 O THR A 75 -3.722 -7.233 3.727 1.00 0.00 O ATOM 1101 CB THR A 75 -5.773 -9.414 3.866 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.717 -9.898 4.701 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.706 -10.560 3.503 1.00 0.00 C ATOM 0 H THR A 75 -3.203 -9.404 2.386 1.00 0.00 H new ATOM 0 HA THR A 75 -5.973 -8.675 1.849 1.00 0.00 H new ATOM 0 HB THR A 75 -6.344 -8.658 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.009 -9.223 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.108 -11.004 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.525 -10.182 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.154 -11.315 2.944 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.287 -6.351 2.371 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.886 -4.973 2.625 1.00 0.00 C ATOM 1113 C ILE A 76 -5.386 -4.497 3.985 1.00 0.00 C ATOM 1114 O ILE A 76 -6.571 -4.608 4.296 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.416 -4.023 1.535 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.963 -2.588 1.814 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.933 -4.099 1.457 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.925 -1.715 0.579 1.00 0.00 C ATOM 0 H ILE A 76 -6.069 -6.451 1.724 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.796 -4.954 2.614 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.007 -4.333 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.635 -2.139 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.971 -2.610 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.292 -3.422 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.234 -5.118 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.362 -3.811 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.595 -0.713 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.231 -2.140 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.921 -1.662 0.140 1.00 0.00 H new ATOM 1130 N MET A 77 -4.473 -3.963 4.791 1.00 0.00 N ATOM 1131 CA MET A 77 -4.822 -3.467 6.117 1.00 0.00 C ATOM 1132 C MET A 77 -4.333 -2.035 6.307 1.00 0.00 C ATOM 1133 O MET A 77 -3.135 -1.761 6.222 1.00 0.00 O ATOM 1134 CB MET A 77 -4.223 -4.370 7.197 1.00 0.00 C ATOM 1135 CG MET A 77 -4.661 -4.005 8.606 1.00 0.00 C ATOM 1136 SD MET A 77 -3.330 -4.166 9.811 1.00 0.00 S ATOM 1137 CE MET A 77 -2.420 -2.652 9.514 1.00 0.00 C ATOM 0 H MET A 77 -3.487 -3.863 4.549 1.00 0.00 H new ATOM 0 HA MET A 77 -5.908 -3.477 6.207 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.506 -5.403 6.993 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.136 -4.320 7.139 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.030 -2.979 8.613 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.492 -4.645 8.901 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.594 -2.579 10.221 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.027 -2.657 8.497 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.084 -1.797 9.642 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.266 -1.125 6.564 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.930 0.280 6.766 1.00 0.00 C ATOM 1149 C ASP A 78 -4.415 0.516 8.183 1.00 0.00 C ATOM 1150 O ASP A 78 -5.125 0.280 9.159 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.151 1.162 6.500 1.00 0.00 C ATOM 1152 CG ASP A 78 -5.971 2.573 7.026 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.825 3.069 7.013 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -6.976 3.181 7.448 1.00 0.00 O ATOM 0 H ASP A 78 -6.261 -1.335 6.637 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.141 0.545 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.343 1.199 5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.028 0.713 6.965 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.175 0.983 8.286 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.564 1.249 9.583 1.00 0.00 C ATOM 1161 C ASN A 79 -3.081 2.560 10.169 1.00 0.00 C ATOM 1162 O ASN A 79 -2.309 3.481 10.434 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.040 1.303 9.451 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.335 0.987 10.756 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -0.959 0.943 11.817 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.972 0.765 10.684 1.00 0.00 N ATOM 0 H ASN A 79 -2.574 1.185 7.487 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.835 0.437 10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.719 0.595 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.742 2.295 9.111 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.500 0.548 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.448 0.812 9.783 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.392 2.635 10.368 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.014 3.831 10.924 1.00 0.00 C ATOM 1175 C LYS A 80 -4.561 5.079 10.174 1.00 0.00 C ATOM 1176 O LYS A 80 -3.645 5.777 10.608 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.673 3.964 12.410 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.650 3.246 13.325 1.00 0.00 C ATOM 1179 CD LYS A 80 -4.944 2.625 14.518 1.00 0.00 C ATOM 1180 CE LYS A 80 -5.088 3.487 15.763 1.00 0.00 C ATOM 1181 NZ LYS A 80 -3.796 3.630 16.491 1.00 0.00 N ATOM 0 H LYS A 80 -5.045 1.882 10.153 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.094 3.734 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.671 3.570 12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.649 5.021 12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.406 3.949 13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.171 2.470 12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.356 1.634 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.887 2.491 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.457 4.473 15.481 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.832 3.046 16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.936 4.224 17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.456 2.691 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.093 4.075 15.867 1.00 0.00 H new ATOM 1195 N SER A 81 -5.210 5.355 9.047 1.00 0.00 N ATOM 1196 CA SER A 81 -4.872 6.518 8.236 1.00 0.00 C ATOM 1197 C SER A 81 -5.761 7.706 8.591 1.00 0.00 C ATOM 1198 O SER A 81 -6.806 7.547 9.223 1.00 0.00 O ATOM 1199 CB SER A 81 -5.014 6.188 6.749 1.00 0.00 C ATOM 1200 OG SER A 81 -6.299 5.662 6.464 1.00 0.00 O ATOM 0 H SER A 81 -5.973 4.789 8.675 1.00 0.00 H new ATOM 0 HA SER A 81 -3.836 6.786 8.445 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.846 7.087 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.250 5.467 6.459 1.00 0.00 H new ATOM 0 HG SER A 81 -6.365 5.460 5.507 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.338 8.897 8.182 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.094 10.113 8.457 1.00 0.00 C ATOM 1208 C LEU A 82 -7.078 10.410 7.329 1.00 0.00 C ATOM 1209 O LEU A 82 -8.250 10.692 7.572 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.144 11.297 8.644 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.800 12.674 8.749 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.496 12.833 10.092 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -4.767 13.774 8.548 1.00 0.00 C ATOM 0 H LEU A 82 -4.475 9.046 7.659 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.659 9.959 9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.557 11.127 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.446 11.312 7.807 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.550 12.759 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.957 13.819 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.264 12.067 10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.766 12.727 10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.252 14.747 8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.994 13.691 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.314 13.672 7.562 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.591 10.341 6.094 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.428 10.600 4.928 1.00 0.00 C ATOM 1227 C ASN A 83 -8.378 9.434 4.669 1.00 0.00 C ATOM 1228 O ASN A 83 -9.565 9.632 4.414 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.557 10.846 3.694 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.832 12.177 3.754 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -6.291 13.172 3.194 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -4.692 12.199 4.435 1.00 0.00 N ATOM 0 H ASN A 83 -5.622 10.108 5.875 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.022 11.491 5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.827 10.042 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.180 10.815 2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.159 13.066 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.349 11.349 4.883 1.00 0.00 H new ATOM 1239 N GLY A 84 -7.845 8.218 4.739 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.659 7.038 4.510 1.00 0.00 C ATOM 1241 C GLY A 84 -8.281 6.310 3.236 1.00 0.00 C ATOM 1242 O GLY A 84 -7.797 6.922 2.283 1.00 0.00 O ATOM 0 H GLY A 84 -6.865 8.029 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.555 6.359 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.708 7.329 4.461 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.499 4.999 3.218 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.177 4.187 2.051 1.00 0.00 C ATOM 1248 C VAL A 85 -9.443 3.691 1.360 1.00 0.00 C ATOM 1249 O VAL A 85 -10.469 3.474 2.004 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.306 2.976 2.433 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -5.877 3.414 2.716 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -7.898 2.251 3.633 1.00 0.00 C ATOM 0 H VAL A 85 -8.897 4.477 3.998 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.619 4.825 1.366 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.288 2.283 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.276 2.545 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.458 3.884 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.872 4.127 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.270 1.398 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.948 2.933 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.901 1.902 3.389 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.362 3.512 0.047 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.501 3.040 -0.732 1.00 0.00 C ATOM 1264 C TRP A 86 -10.133 1.799 -1.538 1.00 0.00 C ATOM 1265 O TRP A 86 -9.080 1.750 -2.174 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.997 4.144 -1.668 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.267 5.441 -0.967 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.386 6.466 -0.773 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.500 5.849 -0.366 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.998 7.488 -0.087 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.295 7.134 0.173 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.759 5.256 -0.233 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.301 7.833 0.835 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.756 5.951 0.424 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.524 7.228 0.951 1.00 0.00 C ATOM 0 H TRP A 86 -8.520 3.686 -0.501 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.299 2.775 -0.039 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.255 4.309 -2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.909 3.809 -2.161 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.360 6.473 -1.109 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.558 8.367 0.184 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.949 4.272 -0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -13.123 8.817 1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.732 5.502 0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.325 7.745 1.458 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.008 0.800 -1.509 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.775 -0.442 -2.238 1.00 0.00 C ATOM 1288 C LEU A 87 -11.995 -0.822 -3.070 1.00 0.00 C ATOM 1289 O LEU A 87 -12.978 -1.345 -2.546 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.435 -1.572 -1.264 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.167 -2.941 -1.891 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -8.907 -2.900 -2.742 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.050 -4.008 -0.813 1.00 0.00 C ATOM 0 H LEU A 87 -11.885 0.826 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.933 -0.286 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.555 -1.279 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.257 -1.674 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.009 -3.195 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.732 -3.883 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.029 -2.164 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.056 -2.624 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.859 -4.975 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.227 -3.759 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.979 -4.055 -0.245 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.923 -0.558 -4.371 1.00 0.00 N ATOM 1306 CA ASN A 88 -13.022 -0.874 -5.276 1.00 0.00 C ATOM 1307 C ASN A 88 -14.271 -0.075 -4.916 1.00 0.00 C ATOM 1308 O ASN A 88 -15.348 -0.639 -4.726 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.331 -2.372 -5.233 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.077 -3.219 -5.137 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.014 -2.832 -5.623 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.196 -4.382 -4.507 1.00 0.00 N ATOM 0 H ASN A 88 -11.116 -0.127 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.717 -0.601 -6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.975 -2.583 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.887 -2.651 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.386 -4.995 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.097 -4.662 -4.120 1.00 0.00 H new ATOM 1319 N ARG A 89 -14.118 1.243 -4.825 1.00 0.00 N ATOM 1320 CA ARG A 89 -15.232 2.120 -4.488 1.00 0.00 C ATOM 1321 C ARG A 89 -15.889 1.685 -3.181 1.00 0.00 C ATOM 1322 O ARG A 89 -17.114 1.619 -3.083 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.266 2.122 -5.615 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.708 2.578 -6.953 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.804 4.087 -7.112 1.00 0.00 C ATOM 1326 NE ARG A 89 -16.801 4.469 -8.109 1.00 0.00 N ATOM 1327 CZ ARG A 89 -17.107 5.730 -8.396 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -16.497 6.724 -7.765 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -18.025 5.998 -9.316 1.00 0.00 N ATOM 0 H ARG A 89 -13.233 1.726 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.842 3.130 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.673 1.117 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.094 2.773 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.667 2.268 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.254 2.091 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.059 4.537 -6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.831 4.484 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 89 -17.289 3.728 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.791 6.522 -7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.734 7.691 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.496 5.236 -9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.259 6.966 -9.536 1.00 0.00 H new ATOM 1343 N ALA A 90 -15.066 1.389 -2.180 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.567 0.963 -0.880 1.00 0.00 C ATOM 1345 C ALA A 90 -14.777 1.611 0.252 1.00 0.00 C ATOM 1346 O ALA A 90 -13.661 2.089 0.048 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.512 -0.553 -0.764 1.00 0.00 C ATOM 0 H ALA A 90 -14.049 1.437 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.605 1.285 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.889 -0.857 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.126 -1.000 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.481 -0.889 -0.875 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.363 1.623 1.445 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.714 2.214 2.609 1.00 0.00 C ATOM 1355 C ARG A 91 -14.068 1.138 3.476 1.00 0.00 C ATOM 1356 O ARG A 91 -14.731 0.197 3.913 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.726 3.010 3.435 1.00 0.00 C ATOM 1358 CG ARG A 91 -15.110 3.735 4.620 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.747 5.169 4.270 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.649 6.015 5.456 1.00 0.00 N ATOM 1361 CZ ARG A 91 -13.993 7.169 5.484 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -13.380 7.613 4.395 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -13.949 7.883 6.602 1.00 0.00 N ATOM 0 H ARG A 91 -16.286 1.230 1.631 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.934 2.888 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.216 3.738 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.500 2.333 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.811 3.730 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.217 3.203 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.797 5.182 3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.498 5.578 3.594 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.110 5.702 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.412 7.068 3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.877 8.500 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.420 7.545 7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.445 8.769 6.622 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.770 1.283 3.721 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.034 0.323 4.536 1.00 0.00 C ATOM 1379 C LEU A 92 -11.784 0.875 5.936 1.00 0.00 C ATOM 1380 O LEU A 92 -11.360 2.019 6.095 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.703 -0.027 3.869 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.750 -0.259 2.358 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.344 -0.381 1.793 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.567 -1.501 2.035 1.00 0.00 C ATOM 0 H LEU A 92 -12.206 2.056 3.367 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.638 -0.580 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.996 0.777 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.308 -0.926 4.342 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.233 0.600 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.397 -0.546 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.791 0.537 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.834 -1.222 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.590 -1.651 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.113 -2.369 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.584 -1.374 2.405 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.048 0.054 6.947 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.851 0.461 8.333 1.00 0.00 C ATOM 1398 C GLU A 93 -10.387 0.313 8.740 1.00 0.00 C ATOM 1399 O GLU A 93 -9.613 -0.413 8.115 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.736 -0.371 9.263 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.102 0.244 9.514 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.196 -0.798 9.649 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.636 -1.335 8.611 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -15.611 -1.076 10.794 1.00 0.00 O ATOM 0 H GLU A 93 -12.399 -0.897 6.832 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.131 1.511 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.867 -1.364 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.225 -0.501 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.064 0.845 10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.348 0.920 8.695 1.00 0.00 H new ATOM 1411 N PRO A 94 -9.998 1.019 9.812 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.625 0.984 10.327 1.00 0.00 C ATOM 1413 C PRO A 94 -8.278 -0.358 10.962 1.00 0.00 C ATOM 1414 O PRO A 94 -9.027 -0.875 11.792 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.614 2.094 11.381 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.033 2.218 11.816 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.867 1.905 10.604 1.00 0.00 C ATOM 0 HA PRO A 94 -7.889 1.122 9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.964 1.838 12.218 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.244 3.031 10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.253 1.527 12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.242 3.222 12.185 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.802 1.414 10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.130 2.808 10.053 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.140 -0.917 10.567 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.693 -2.200 11.099 1.00 0.00 C ATOM 1427 C LEU A 95 -7.663 -3.315 10.719 1.00 0.00 C ATOM 1428 O LEU A 95 -7.739 -4.342 11.393 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.557 -2.124 12.621 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.054 -0.795 13.184 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -5.835 -0.900 14.686 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.771 -0.370 12.485 1.00 0.00 C ATOM 0 H LEU A 95 -6.510 -0.503 9.880 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.719 -2.426 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.530 -2.338 13.064 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.878 -2.913 12.945 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.813 -0.035 13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.477 0.056 15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.775 -1.157 15.174 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.096 -1.674 14.893 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.428 0.578 12.899 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.005 -1.130 12.637 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.960 -0.253 11.418 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.401 -3.105 9.634 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.365 -4.092 9.163 1.00 0.00 C ATOM 1446 C ARG A 96 -8.773 -4.937 8.038 1.00 0.00 C ATOM 1447 O ARG A 96 -7.961 -4.456 7.248 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.640 -3.401 8.679 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.907 -4.192 8.960 1.00 0.00 C ATOM 1450 CD ARG A 96 -13.003 -3.863 7.958 1.00 0.00 C ATOM 1451 NE ARG A 96 -14.329 -3.892 8.569 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.978 -5.013 8.866 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -14.425 -6.190 8.609 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -16.182 -4.957 9.421 1.00 0.00 N ATOM 0 H ARG A 96 -8.350 -2.260 9.065 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.611 -4.749 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.718 -2.425 9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.563 -3.225 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.687 -5.259 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.257 -3.974 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.821 -2.876 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.968 -4.576 7.135 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.782 -3.003 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.500 -6.236 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.925 -7.049 8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.610 -4.053 9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.679 -5.818 9.649 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.185 -6.199 7.973 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.696 -7.111 6.946 1.00 0.00 C ATOM 1470 C VAL A 97 -9.623 -7.122 5.735 1.00 0.00 C ATOM 1471 O VAL A 97 -10.833 -7.308 5.869 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.560 -8.546 7.488 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.872 -9.440 6.467 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.802 -8.547 8.806 1.00 0.00 C ATOM 0 H VAL A 97 -9.856 -6.613 8.620 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.713 -6.750 6.644 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.559 -8.944 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.785 -10.450 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.460 -9.463 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.878 -9.048 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.715 -9.569 9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.806 -8.130 8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.340 -7.942 9.536 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.048 -6.923 4.555 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.823 -6.908 3.320 1.00 0.00 C ATOM 1486 C TYR A 98 -9.163 -7.777 2.252 1.00 0.00 C ATOM 1487 O TYR A 98 -8.096 -7.442 1.736 1.00 0.00 O ATOM 1488 CB TYR A 98 -9.975 -5.476 2.805 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.052 -4.689 3.516 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.394 -4.868 3.200 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.730 -3.765 4.502 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.382 -4.150 3.846 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.711 -3.044 5.155 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.035 -3.240 4.823 1.00 0.00 C ATOM 1495 OH TYR A 98 -14.016 -2.523 5.469 1.00 0.00 O ATOM 0 H TYR A 98 -8.048 -6.770 4.427 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.810 -7.316 3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.023 -4.956 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.201 -5.504 1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.669 -5.581 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.694 -3.607 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.420 -4.300 3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.443 -2.331 5.921 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.627 -3.140 5.923 1.00 0.00 H new ATOM 1505 N SER A 99 -9.806 -8.893 1.926 1.00 0.00 N ATOM 1506 CA SER A 99 -9.282 -9.812 0.923 1.00 0.00 C ATOM 1507 C SER A 99 -9.289 -9.168 -0.460 1.00 0.00 C ATOM 1508 O SER A 99 -10.347 -8.847 -1.002 1.00 0.00 O ATOM 1509 CB SER A 99 -10.106 -11.101 0.902 1.00 0.00 C ATOM 1510 OG SER A 99 -11.305 -10.953 1.642 1.00 0.00 O ATOM 0 H SER A 99 -10.691 -9.183 2.342 1.00 0.00 H new ATOM 0 HA SER A 99 -8.252 -10.052 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.342 -11.369 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.518 -11.919 1.317 1.00 0.00 H new ATOM 0 HG SER A 99 -11.863 -10.263 1.226 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.100 -8.982 -1.025 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.969 -8.377 -2.344 1.00 0.00 C ATOM 1518 C ILE A 100 -7.761 -9.440 -3.418 1.00 0.00 C ATOM 1519 O ILE A 100 -7.219 -10.513 -3.148 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.796 -7.380 -2.392 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.465 -8.115 -2.224 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.960 -6.317 -1.316 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.260 -7.203 -2.276 1.00 0.00 C ATOM 0 H ILE A 100 -7.215 -9.242 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.899 -7.842 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.797 -6.888 -3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.469 -8.644 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.374 -8.869 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.123 -5.620 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.892 -5.776 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.982 -6.792 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.352 -7.792 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.231 -6.693 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.327 -6.465 -1.477 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.195 -9.135 -4.637 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.054 -10.064 -5.753 1.00 0.00 C ATOM 1537 C HIS A 101 -7.768 -9.314 -7.050 1.00 0.00 C ATOM 1538 O HIS A 101 -7.862 -8.088 -7.103 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.321 -10.906 -5.905 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.687 -11.667 -4.668 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.278 -12.962 -4.432 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.428 -11.307 -3.594 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.752 -13.366 -3.268 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.454 -12.380 -2.738 1.00 0.00 N ATOM 0 H HIS A 101 -8.647 -8.253 -4.877 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.212 -10.723 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.150 -10.254 -6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.184 -11.609 -6.727 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -8.699 -13.521 -5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.909 -10.353 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.593 -14.338 -2.824 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.419 -10.060 -8.094 1.00 0.00 N ATOM 1553 CA GLN A 102 -7.118 -9.464 -9.391 1.00 0.00 C ATOM 1554 C GLN A 102 -8.264 -8.575 -9.861 1.00 0.00 C ATOM 1555 O GLN A 102 -9.360 -9.056 -10.143 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.846 -10.557 -10.426 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.445 -10.017 -11.789 1.00 0.00 C ATOM 1558 CD GLN A 102 -4.942 -9.895 -11.950 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.176 -10.535 -11.229 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.513 -9.071 -12.898 1.00 0.00 N ATOM 0 H GLN A 102 -7.338 -11.076 -8.067 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.226 -8.847 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.055 -11.208 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.739 -11.172 -10.536 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.838 -10.674 -12.565 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.903 -9.039 -11.937 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.184 -8.561 -13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.512 -8.948 -13.052 1.00 0.00 H new ATOM 1569 N GLY A 103 -8.002 -7.274 -9.942 1.00 0.00 N ATOM 1570 CA GLY A 103 -9.022 -6.338 -10.378 1.00 0.00 C ATOM 1571 C GLY A 103 -9.422 -5.366 -9.285 1.00 0.00 C ATOM 1572 O GLY A 103 -10.510 -4.791 -9.324 1.00 0.00 O ATOM 0 H GLY A 103 -7.102 -6.852 -9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.655 -5.780 -11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.901 -6.891 -10.708 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.541 -5.182 -8.308 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.808 -4.274 -7.199 1.00 0.00 C ATOM 1578 C ASP A 104 -8.257 -2.882 -7.493 1.00 0.00 C ATOM 1579 O ASP A 104 -7.505 -2.689 -8.448 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.194 -4.816 -5.908 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.165 -5.674 -5.121 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -10.241 -6.003 -5.663 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -8.849 -6.018 -3.963 1.00 0.00 O ATOM 0 H ASP A 104 -7.636 -5.650 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.888 -4.200 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.308 -5.403 -6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.865 -3.982 -5.288 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.638 -1.914 -6.666 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.186 -0.539 -6.839 1.00 0.00 C ATOM 1590 C TYR A 105 -7.966 0.137 -5.489 1.00 0.00 C ATOM 1591 O TYR A 105 -8.919 0.542 -4.823 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.203 0.256 -7.660 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.823 0.403 -9.116 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.920 -0.671 -9.992 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.369 1.618 -9.616 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.573 -0.540 -11.323 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.022 1.758 -10.946 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.125 0.676 -11.795 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.780 0.810 -13.121 1.00 0.00 O ATOM 0 H TYR A 105 -9.259 -2.057 -5.869 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.236 -0.561 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.174 -0.235 -7.594 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.317 1.247 -7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.273 -1.624 -9.626 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.286 2.467 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.652 -1.385 -11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.672 2.709 -11.319 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.949 1.731 -13.411 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.704 0.255 -5.092 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.358 0.882 -3.823 1.00 0.00 C ATOM 1611 C ILE A 106 -6.133 2.381 -3.994 1.00 0.00 C ATOM 1612 O ILE A 106 -5.267 2.805 -4.758 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.094 0.252 -3.209 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.300 -1.248 -2.990 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.741 0.941 -1.900 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.822 -2.099 -4.145 1.00 0.00 C ATOM 0 H ILE A 106 -5.904 -0.076 -5.631 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.200 0.717 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.265 0.388 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.774 -1.550 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.360 -1.440 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.846 0.484 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.556 1.999 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.568 0.834 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.000 -3.151 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.366 -1.824 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.755 -1.936 -4.300 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.918 3.177 -3.276 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.804 4.629 -3.347 1.00 0.00 C ATOM 1630 C GLN A 107 -6.362 5.207 -2.007 1.00 0.00 C ATOM 1631 O GLN A 107 -7.131 5.230 -1.045 1.00 0.00 O ATOM 1632 CB GLN A 107 -8.139 5.247 -3.767 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.990 6.502 -4.612 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.314 7.194 -4.867 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.863 7.124 -5.967 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.836 7.868 -3.849 1.00 0.00 N ATOM 0 H GLN A 107 -7.640 2.841 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.048 4.872 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.712 4.508 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.716 5.487 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.313 7.194 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.531 6.241 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.347 7.900 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.726 8.354 -3.962 1.00 0.00 H new ATOM 1645 N LEU A 108 -5.119 5.673 -1.950 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.574 6.251 -0.727 1.00 0.00 C ATOM 1647 C LEU A 108 -5.032 7.696 -0.557 1.00 0.00 C ATOM 1648 O LEU A 108 -4.407 8.621 -1.075 1.00 0.00 O ATOM 1649 CB LEU A 108 -3.046 6.187 -0.746 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.436 4.812 -1.020 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.926 4.919 -1.173 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.793 3.838 0.093 1.00 0.00 C ATOM 0 H LEU A 108 -4.470 5.662 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.945 5.670 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.682 6.881 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.675 6.542 0.216 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.850 4.432 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.509 3.931 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.691 5.582 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.495 5.321 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.350 2.865 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.408 4.213 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.877 3.738 0.155 1.00 0.00 H new ATOM 1664 N GLY A 109 -6.126 7.883 0.175 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.647 9.219 0.402 1.00 0.00 C ATOM 1666 C GLY A 109 -7.782 9.566 -0.541 1.00 0.00 C ATOM 1667 O GLY A 109 -8.255 8.716 -1.295 1.00 0.00 O ATOM 0 H GLY A 109 -6.661 7.134 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.996 9.299 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.843 9.945 0.281 1.00 0.00 H new ATOM 1671 N VAL A 110 -8.221 10.820 -0.499 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.308 11.279 -1.356 1.00 0.00 C ATOM 1673 C VAL A 110 -8.818 12.321 -2.355 1.00 0.00 C ATOM 1674 O VAL A 110 -7.813 13.000 -2.139 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.460 11.879 -0.528 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -11.299 10.775 0.098 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.917 12.817 0.538 1.00 0.00 C ATOM 0 H VAL A 110 -7.841 11.536 0.119 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.675 10.407 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.101 12.456 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.108 11.218 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.718 10.147 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.673 10.168 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.745 13.232 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.253 12.266 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.364 13.627 0.062 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.543 12.453 -3.475 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.201 13.412 -4.530 1.00 0.00 C ATOM 1689 C PRO A 111 -9.428 14.856 -4.097 1.00 0.00 C ATOM 1690 O PRO A 111 -10.520 15.219 -3.658 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.154 13.040 -5.669 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.314 12.391 -4.997 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.752 11.677 -3.799 1.00 0.00 C ATOM 0 HA PRO A 111 -8.147 13.359 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.464 13.922 -6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.678 12.363 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.056 13.131 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.814 11.693 -5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.458 11.668 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.514 10.638 -4.026 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.391 15.676 -4.222 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.477 17.082 -3.843 1.00 0.00 C ATOM 1703 C LEU A 112 -9.506 17.815 -4.698 1.00 0.00 C ATOM 1704 O LEU A 112 -10.157 17.214 -5.553 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.110 17.754 -3.985 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.961 17.106 -3.212 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -4.629 17.409 -3.881 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.954 17.583 -1.767 1.00 0.00 C ATOM 0 H LEU A 112 -7.480 15.392 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.794 17.132 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.845 17.774 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.201 18.790 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.110 16.026 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.823 16.940 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.635 17.018 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.472 18.487 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.130 17.111 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.831 18.666 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.897 17.314 -1.290 1.00 0.00 H new ATOM 1720 N GLU A 113 -9.647 19.115 -4.462 1.00 0.00 N ATOM 1721 CA GLU A 113 -10.596 19.929 -5.212 1.00 0.00 C ATOM 1722 C GLU A 113 -10.054 20.258 -6.600 1.00 0.00 C ATOM 1723 O GLU A 113 -8.852 20.168 -6.845 1.00 0.00 O ATOM 1724 CB GLU A 113 -10.905 21.221 -4.453 1.00 0.00 C ATOM 1725 CG GLU A 113 -9.777 22.238 -4.499 1.00 0.00 C ATOM 1726 CD GLU A 113 -10.062 23.464 -3.653 1.00 0.00 C ATOM 1727 OE1 GLU A 113 -11.249 23.820 -3.504 1.00 0.00 O ATOM 1728 OE2 GLU A 113 -9.096 24.067 -3.139 1.00 0.00 O ATOM 0 H GLU A 113 -9.116 19.627 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.516 19.355 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.806 21.671 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.122 20.978 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.856 21.769 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.611 22.544 -5.532 1.00 0.00 H new ATOM 1735 N ASN A 114 -10.950 20.640 -7.504 1.00 0.00 N ATOM 1736 CA ASN A 114 -10.562 20.981 -8.868 1.00 0.00 C ATOM 1737 C ASN A 114 -9.839 19.816 -9.536 1.00 0.00 C ATOM 1738 O ASN A 114 -9.030 20.011 -10.443 1.00 0.00 O ATOM 1739 CB ASN A 114 -9.666 22.221 -8.870 1.00 0.00 C ATOM 1740 CG ASN A 114 -9.811 23.038 -10.140 1.00 0.00 C ATOM 1741 OD1 ASN A 114 -10.392 22.579 -11.123 1.00 0.00 O ATOM 1742 ND2 ASN A 114 -9.281 24.255 -10.124 1.00 0.00 N ATOM 0 H ASN A 114 -11.949 20.721 -7.317 1.00 0.00 H new ATOM 0 HA ASN A 114 -11.468 21.195 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.911 22.844 -8.010 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -8.626 21.915 -8.755 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.347 24.851 -10.949 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.808 24.594 -9.286 1.00 0.00 H new ATOM 1749 N LYS A 115 -10.137 18.604 -9.081 1.00 0.00 N ATOM 1750 CA LYS A 115 -9.518 17.405 -9.635 1.00 0.00 C ATOM 1751 C LYS A 115 -10.573 16.456 -10.193 1.00 0.00 C ATOM 1752 O LYS A 115 -11.772 16.710 -10.078 1.00 0.00 O ATOM 1753 CB LYS A 115 -8.691 16.692 -8.563 1.00 0.00 C ATOM 1754 CG LYS A 115 -7.441 17.452 -8.153 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.393 17.437 -9.252 1.00 0.00 C ATOM 1756 CE LYS A 115 -5.527 16.189 -9.180 1.00 0.00 C ATOM 1757 NZ LYS A 115 -4.781 15.956 -10.447 1.00 0.00 N ATOM 0 H LYS A 115 -10.804 18.426 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.861 17.709 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.314 16.532 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -8.403 15.708 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.703 18.482 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.026 17.010 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.883 17.485 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.764 18.323 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.821 16.285 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.154 15.324 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.202 15.152 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.833 16.807 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.786 15.745 -10.230 1.00 0.00 H new ATOM 1771 N GLU A 116 -10.119 15.362 -10.797 1.00 0.00 N ATOM 1772 CA GLU A 116 -11.025 14.375 -11.372 1.00 0.00 C ATOM 1773 C GLU A 116 -10.892 13.033 -10.659 1.00 0.00 C ATOM 1774 O GLU A 116 -11.832 12.240 -10.625 1.00 0.00 O ATOM 1775 CB GLU A 116 -10.745 14.202 -12.866 1.00 0.00 C ATOM 1776 CG GLU A 116 -10.583 15.516 -13.612 1.00 0.00 C ATOM 1777 CD GLU A 116 -10.674 15.348 -15.116 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -11.772 15.019 -15.612 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -9.646 15.545 -15.798 1.00 0.00 O ATOM 0 H GLU A 116 -9.129 15.137 -10.901 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.045 14.736 -11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.839 13.609 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.561 13.636 -13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.352 16.214 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.620 15.958 -13.357 1.00 0.00 H new ATOM 1786 N ASN A 117 -9.716 12.786 -10.090 1.00 0.00 N ATOM 1787 CA ASN A 117 -9.458 11.539 -9.379 1.00 0.00 C ATOM 1788 C ASN A 117 -8.123 11.600 -8.642 1.00 0.00 C ATOM 1789 O ASN A 117 -7.262 12.417 -8.964 1.00 0.00 O ATOM 1790 CB ASN A 117 -9.462 10.361 -10.354 1.00 0.00 C ATOM 1791 CG ASN A 117 -8.327 10.436 -11.357 1.00 0.00 C ATOM 1792 OD1 ASN A 117 -7.220 9.966 -11.094 1.00 0.00 O ATOM 1793 ND2 ASN A 117 -8.598 11.029 -12.513 1.00 0.00 N ATOM 0 H ASN A 117 -8.927 13.433 -10.108 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.252 11.397 -8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.387 9.429 -9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.413 10.337 -10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.874 11.109 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -9.530 11.404 -12.687 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.960 10.727 -7.653 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.730 10.679 -6.872 1.00 0.00 C ATOM 1802 C ALA A 118 -5.507 10.585 -7.779 1.00 0.00 C ATOM 1803 O ALA A 118 -5.598 10.106 -8.909 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.764 9.505 -5.905 1.00 0.00 C ATOM 0 H ALA A 118 -8.664 10.044 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.656 11.604 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.839 9.482 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.611 9.616 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.866 8.575 -6.465 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.366 11.046 -7.277 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.126 11.014 -8.044 1.00 0.00 C ATOM 1812 C GLU A 119 -2.531 9.609 -8.058 1.00 0.00 C ATOM 1813 O GLU A 119 -2.270 9.044 -9.121 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.114 12.002 -7.461 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.711 13.360 -7.131 1.00 0.00 C ATOM 1816 CD GLU A 119 -3.276 14.061 -8.351 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -4.280 13.567 -8.906 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -2.716 15.103 -8.750 1.00 0.00 O ATOM 0 H GLU A 119 -4.274 11.446 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.356 11.303 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.682 11.575 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.298 12.136 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.501 13.235 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.945 13.989 -6.677 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.319 9.051 -6.871 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.752 7.713 -6.746 1.00 0.00 C ATOM 1827 C TYR A 120 -2.842 6.649 -6.832 1.00 0.00 C ATOM 1828 O TYR A 120 -3.796 6.659 -6.055 1.00 0.00 O ATOM 1829 CB TYR A 120 -0.995 7.579 -5.424 1.00 0.00 C ATOM 1830 CG TYR A 120 0.195 8.504 -5.310 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.060 9.781 -4.778 1.00 0.00 C ATOM 1832 CD2 TYR A 120 1.455 8.103 -5.736 1.00 0.00 C ATOM 1833 CE1 TYR A 120 1.144 10.630 -4.673 1.00 0.00 C ATOM 1834 CE2 TYR A 120 2.546 8.945 -5.634 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.385 10.207 -5.102 1.00 0.00 C ATOM 1836 OH TYR A 120 3.469 11.049 -5.000 1.00 0.00 O ATOM 0 H TYR A 120 -2.531 9.504 -5.982 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.057 7.562 -7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.681 7.780 -4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.656 6.549 -5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -0.910 10.115 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.584 7.116 -6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 120 1.021 11.619 -4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.519 8.617 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 120 4.267 10.598 -5.345 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.691 5.732 -7.782 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.662 4.661 -7.970 1.00 0.00 C ATOM 1848 C GLU A 121 -2.980 3.388 -8.464 1.00 0.00 C ATOM 1849 O GLU A 121 -2.135 3.431 -9.359 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.743 5.091 -8.963 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.888 5.858 -8.323 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.730 6.605 -9.338 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.147 7.275 -10.216 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.974 6.520 -9.255 1.00 0.00 O ATOM 0 H GLU A 121 -1.906 5.709 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.126 4.453 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.289 5.711 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.142 4.206 -9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.522 5.164 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.486 6.566 -7.599 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.351 2.258 -7.874 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.774 0.973 -8.251 1.00 0.00 C ATOM 1863 C TYR A 122 -3.866 -0.045 -8.562 1.00 0.00 C ATOM 1864 O TYR A 122 -5.055 0.245 -8.431 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.874 0.447 -7.132 1.00 0.00 C ATOM 1866 CG TYR A 122 -0.950 1.495 -6.554 1.00 0.00 C ATOM 1867 CD1 TYR A 122 0.289 1.751 -7.131 1.00 0.00 C ATOM 1868 CD2 TYR A 122 -1.314 2.229 -5.433 1.00 0.00 C ATOM 1869 CE1 TYR A 122 1.136 2.708 -6.606 1.00 0.00 C ATOM 1870 CE2 TYR A 122 -0.473 3.188 -4.902 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.751 3.424 -5.492 1.00 0.00 C ATOM 1872 OH TYR A 122 1.592 4.377 -4.966 1.00 0.00 O ATOM 0 H TYR A 122 -4.049 2.205 -7.132 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.176 1.122 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.498 0.045 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.277 -0.380 -7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.594 1.193 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.272 2.047 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 122 2.095 2.895 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.773 3.750 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 122 1.098 5.213 -4.836 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.453 -1.240 -8.974 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.396 -2.302 -9.303 1.00 0.00 C ATOM 1884 C GLU A 123 -3.799 -3.673 -9.001 1.00 0.00 C ATOM 1885 O GLU A 123 -2.858 -4.112 -9.661 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.795 -2.221 -10.778 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.857 -3.231 -11.178 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.893 -3.479 -12.674 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.117 -2.825 -13.401 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.695 -4.327 -13.116 1.00 0.00 O ATOM 0 H GLU A 123 -2.472 -1.496 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.284 -2.168 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.162 -1.217 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.909 -2.375 -11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.670 -4.173 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.833 -2.875 -10.849 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.353 -4.345 -7.997 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.877 -5.667 -7.606 1.00 0.00 C ATOM 1899 C VAL A 124 -3.807 -6.603 -8.807 1.00 0.00 C ATOM 1900 O VAL A 124 -4.811 -6.848 -9.478 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.784 -6.295 -6.531 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.278 -7.678 -6.148 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.867 -5.392 -5.310 1.00 0.00 C ATOM 0 H VAL A 124 -5.132 -3.996 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.877 -5.534 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.787 -6.402 -6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.931 -8.107 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.275 -8.321 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.265 -7.598 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.512 -5.851 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.870 -5.251 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.279 -4.425 -5.600 1.00 0.00 H new ATOM 1913 N THR A 125 -2.614 -7.126 -9.075 1.00 0.00 N ATOM 1914 CA THR A 125 -2.413 -8.035 -10.196 1.00 0.00 C ATOM 1915 C THR A 125 -1.281 -9.017 -9.911 1.00 0.00 C ATOM 1916 O THR A 125 -0.421 -8.758 -9.070 1.00 0.00 O ATOM 1917 CB THR A 125 -2.096 -7.267 -11.492 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.899 -8.187 -12.571 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.854 -6.405 -11.321 1.00 0.00 C ATOM 0 H THR A 125 -1.773 -6.935 -8.531 1.00 0.00 H new ATOM 0 HA THR A 125 -3.344 -8.586 -10.327 1.00 0.00 H new ATOM 0 HB THR A 125 -2.941 -6.617 -11.719 1.00 0.00 H new ATOM 0 HG1 THR A 125 -2.111 -7.746 -13.420 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.650 -5.872 -12.250 1.00 0.00 H new ATOM 0 HG22 THR A 125 -1.018 -5.686 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 125 -0.003 -7.039 -11.072 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.289 -10.143 -10.616 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.262 -11.163 -10.438 1.00 0.00 C ATOM 1929 C GLU A 126 0.684 -11.197 -11.634 1.00 0.00 C ATOM 1930 O GLU A 126 0.287 -11.553 -12.743 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.906 -12.538 -10.243 1.00 0.00 C ATOM 1932 CG GLU A 126 -0.046 -13.505 -9.448 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.803 -14.751 -9.031 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.987 -14.880 -9.406 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.210 -15.597 -8.328 1.00 0.00 O ATOM 0 H GLU A 126 -1.995 -10.372 -11.316 1.00 0.00 H new ATOM 0 HA GLU A 126 0.315 -10.910 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.862 -12.413 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.118 -12.972 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.819 -13.793 -10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.335 -13.001 -8.560 1.00 0.00 H new ATOM 1942 N GLU A 127 1.939 -10.823 -11.399 1.00 0.00 N ATOM 1943 CA GLU A 127 2.942 -10.810 -12.458 1.00 0.00 C ATOM 1944 C GLU A 127 4.269 -11.371 -11.956 1.00 0.00 C ATOM 1945 O GLU A 127 4.689 -11.092 -10.833 1.00 0.00 O ATOM 1946 CB GLU A 127 3.143 -9.386 -12.981 1.00 0.00 C ATOM 1947 CG GLU A 127 1.845 -8.676 -13.328 1.00 0.00 C ATOM 1948 CD GLU A 127 1.899 -7.988 -14.678 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.328 -6.816 -14.730 1.00 0.00 O ATOM 1950 OE2 GLU A 127 1.513 -8.621 -15.683 1.00 0.00 O ATOM 0 H GLU A 127 2.284 -10.526 -10.486 1.00 0.00 H new ATOM 0 HA GLU A 127 2.585 -11.442 -13.271 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.676 -8.804 -12.229 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.777 -9.419 -13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.028 -9.398 -13.325 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.621 -7.938 -12.557 1.00 0.00 H new ATOM 1957 N ASP A 128 4.924 -12.165 -12.797 1.00 0.00 N ATOM 1958 CA ASP A 128 6.204 -12.766 -12.441 1.00 0.00 C ATOM 1959 C ASP A 128 7.230 -11.693 -12.094 1.00 0.00 C ATOM 1960 O ASP A 128 7.135 -10.556 -12.556 1.00 0.00 O ATOM 1961 CB ASP A 128 6.722 -13.632 -13.590 1.00 0.00 C ATOM 1962 CG ASP A 128 5.839 -14.837 -13.850 1.00 0.00 C ATOM 1963 OD1 ASP A 128 5.898 -15.799 -13.056 1.00 0.00 O ATOM 1964 OD2 ASP A 128 5.089 -14.818 -14.848 1.00 0.00 O ATOM 0 H ASP A 128 4.589 -12.407 -13.730 1.00 0.00 H new ATOM 0 HA ASP A 128 6.051 -13.394 -11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.785 -13.029 -14.496 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.733 -13.969 -13.360 1.00 0.00 H new ATOM 1969 N TRP A 129 8.211 -12.061 -11.277 1.00 0.00 N ATOM 1970 CA TRP A 129 9.255 -11.129 -10.867 1.00 0.00 C ATOM 1971 C TRP A 129 9.984 -10.560 -12.079 1.00 0.00 C ATOM 1972 O TRP A 129 10.412 -9.407 -12.072 1.00 0.00 O ATOM 1973 CB TRP A 129 10.251 -11.824 -9.937 1.00 0.00 C ATOM 1974 CG TRP A 129 11.536 -11.070 -9.774 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.737 -11.362 -10.354 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.748 -9.901 -8.975 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.683 -10.445 -9.964 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.101 -9.538 -9.119 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.926 -9.125 -8.154 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.648 -8.433 -8.471 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.470 -8.029 -7.511 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.820 -7.691 -7.673 1.00 0.00 C ATOM 0 H TRP A 129 8.305 -12.998 -10.886 1.00 0.00 H new ATOM 0 HA TRP A 129 8.782 -10.306 -10.332 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.790 -11.959 -8.958 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.468 -12.818 -10.327 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.917 -12.192 -11.021 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.660 -10.441 -10.256 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.884 -9.377 -8.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.689 -8.171 -8.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.844 -7.423 -6.873 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.215 -6.828 -7.158 1.00 0.00 H new ATOM 1993 N GLU A 130 10.120 -11.377 -13.120 1.00 0.00 N ATOM 1994 CA GLU A 130 10.798 -10.953 -14.339 1.00 0.00 C ATOM 1995 C GLU A 130 9.935 -9.974 -15.129 1.00 0.00 C ATOM 1996 O GLU A 130 10.380 -9.396 -16.121 1.00 0.00 O ATOM 1997 CB GLU A 130 11.139 -12.166 -15.207 1.00 0.00 C ATOM 1998 CG GLU A 130 11.749 -13.320 -14.429 1.00 0.00 C ATOM 1999 CD GLU A 130 12.976 -13.896 -15.108 1.00 0.00 C ATOM 2000 OE1 GLU A 130 14.088 -13.388 -14.856 1.00 0.00 O ATOM 2001 OE2 GLU A 130 12.824 -14.858 -15.890 1.00 0.00 O ATOM 0 H GLU A 130 9.770 -12.335 -13.143 1.00 0.00 H new ATOM 0 HA GLU A 130 11.721 -10.448 -14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.233 -12.513 -15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.834 -11.859 -15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.018 -12.978 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.003 -14.106 -14.307 1.00 0.00 H new ATOM 2008 N THR A 131 8.695 -9.794 -14.683 1.00 0.00 N ATOM 2009 CA THR A 131 7.768 -8.887 -15.349 1.00 0.00 C ATOM 2010 C THR A 131 7.712 -7.540 -14.639 1.00 0.00 C ATOM 2011 O THR A 131 7.526 -6.501 -15.273 1.00 0.00 O ATOM 2012 CB THR A 131 6.348 -9.482 -15.410 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.366 -10.718 -16.132 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.384 -8.513 -16.078 1.00 0.00 C ATOM 0 H THR A 131 8.310 -10.264 -13.864 1.00 0.00 H new ATOM 0 HA THR A 131 8.139 -8.744 -16.364 1.00 0.00 H new ATOM 0 HB THR A 131 6.009 -9.662 -14.390 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.460 -11.091 -16.165 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.388 -8.955 -16.110 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.351 -7.583 -15.510 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.722 -8.306 -17.094 1.00 0.00 H new ATOM 2022 N ILE A 132 7.875 -7.564 -13.320 1.00 0.00 N ATOM 2023 CA ILE A 132 7.844 -6.342 -12.525 1.00 0.00 C ATOM 2024 C ILE A 132 9.254 -5.825 -12.257 1.00 0.00 C ATOM 2025 O ILE A 132 9.441 -4.668 -11.882 1.00 0.00 O ATOM 2026 CB ILE A 132 7.127 -6.564 -11.180 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.768 -7.230 -11.406 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.960 -5.242 -10.445 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.251 -7.973 -10.195 1.00 0.00 C ATOM 0 H ILE A 132 8.030 -8.415 -12.780 1.00 0.00 H new ATOM 0 HA ILE A 132 7.292 -5.602 -13.104 1.00 0.00 H new ATOM 0 HB ILE A 132 7.736 -7.225 -10.564 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.042 -6.469 -11.692 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.847 -7.925 -12.242 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.452 -5.415 -9.496 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.940 -4.804 -10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.368 -4.559 -11.055 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.284 -8.420 -10.427 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.957 -8.757 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.139 -7.278 -9.362 1.00 0.00 H new ATOM 2041 N TYR A 133 10.242 -6.691 -12.454 1.00 0.00 N ATOM 2042 CA TYR A 133 11.636 -6.322 -12.233 1.00 0.00 C ATOM 2043 C TYR A 133 12.001 -5.072 -13.028 1.00 0.00 C ATOM 2044 O TYR A 133 12.459 -4.069 -12.481 1.00 0.00 O ATOM 2045 CB TYR A 133 12.559 -7.477 -12.625 1.00 0.00 C ATOM 2046 CG TYR A 133 13.928 -7.029 -13.086 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.677 -6.134 -12.332 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.471 -7.500 -14.274 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.928 -5.721 -12.749 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.721 -7.094 -14.698 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.446 -6.204 -13.932 1.00 0.00 C ATOM 2052 OH TYR A 133 17.691 -5.796 -14.352 1.00 0.00 O ATOM 0 H TYR A 133 10.104 -7.652 -12.766 1.00 0.00 H new ATOM 0 HA TYR A 133 11.765 -6.106 -11.172 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.673 -8.145 -11.772 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.088 -8.054 -13.421 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.275 -5.755 -11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.906 -8.196 -14.877 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.497 -5.024 -12.152 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.129 -7.471 -15.624 1.00 0.00 H new ATOM 0 HH TYR A 133 17.908 -6.230 -15.203 1.00 0.00 H new ATOM 2062 N PRO A 134 11.794 -5.133 -14.352 1.00 0.00 N ATOM 2063 CA PRO A 134 12.093 -4.015 -15.252 1.00 0.00 C ATOM 2064 C PRO A 134 11.457 -2.709 -14.786 1.00 0.00 C ATOM 2065 O PRO A 134 12.112 -1.667 -14.749 1.00 0.00 O ATOM 2066 CB PRO A 134 11.485 -4.460 -16.584 1.00 0.00 C ATOM 2067 CG PRO A 134 11.497 -5.948 -16.528 1.00 0.00 C ATOM 2068 CD PRO A 134 11.250 -6.296 -15.072 1.00 0.00 C ATOM 0 HA PRO A 134 13.162 -3.808 -15.303 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.472 -4.077 -16.704 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.068 -4.091 -17.428 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.725 -6.372 -17.170 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.452 -6.347 -16.871 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.189 -6.437 -14.866 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.755 -7.219 -14.787 1.00 0.00 H new ATOM 2076 N CYS A 135 10.179 -2.773 -14.431 1.00 0.00 N ATOM 2077 CA CYS A 135 9.454 -1.595 -13.967 1.00 0.00 C ATOM 2078 C CYS A 135 9.093 -1.725 -12.491 1.00 0.00 C ATOM 2079 O CYS A 135 7.916 -1.734 -12.127 1.00 0.00 O ATOM 2080 CB CYS A 135 8.187 -1.390 -14.799 1.00 0.00 C ATOM 2081 SG CYS A 135 8.476 -1.331 -16.583 1.00 0.00 S ATOM 0 H CYS A 135 9.623 -3.628 -14.455 1.00 0.00 H new ATOM 0 HA CYS A 135 10.103 -0.728 -14.088 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.488 -2.198 -14.582 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.708 -0.462 -14.489 1.00 0.00 H new ATOM 0 HG CYS A 135 7.576 -0.580 -17.144 1.00 0.00 H new ATOM 2087 N LEU A 136 10.112 -1.827 -11.645 1.00 0.00 N ATOM 2088 CA LEU A 136 9.903 -1.958 -10.207 1.00 0.00 C ATOM 2089 C LEU A 136 9.755 -0.589 -9.551 1.00 0.00 C ATOM 2090 O LEU A 136 10.057 0.438 -10.160 1.00 0.00 O ATOM 2091 CB LEU A 136 11.067 -2.719 -9.570 1.00 0.00 C ATOM 2092 CG LEU A 136 10.739 -4.107 -9.018 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.950 -4.701 -8.314 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.550 -4.037 -8.071 1.00 0.00 C ATOM 0 H LEU A 136 11.091 -1.822 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 136 8.981 -2.517 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.857 -2.823 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.470 -2.113 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 136 10.475 -4.756 -9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.698 -5.689 -7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.775 -4.787 -9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.245 -4.053 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.331 -5.034 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.786 -3.372 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.681 -3.655 -8.606 1.00 0.00 H new ATOM 2106 N SER A 137 9.292 -0.582 -8.306 1.00 0.00 N ATOM 2107 CA SER A 137 9.103 0.661 -7.567 1.00 0.00 C ATOM 2108 C SER A 137 10.333 0.984 -6.725 1.00 0.00 C ATOM 2109 O SER A 137 11.159 0.121 -6.428 1.00 0.00 O ATOM 2110 CB SER A 137 7.868 0.563 -6.670 1.00 0.00 C ATOM 2111 OG SER A 137 8.148 1.036 -5.364 1.00 0.00 O ATOM 0 H SER A 137 9.041 -1.423 -7.787 1.00 0.00 H new ATOM 0 HA SER A 137 8.956 1.465 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 137 7.053 1.143 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.532 -0.473 -6.621 1.00 0.00 H new ATOM 0 HG SER A 137 7.731 0.443 -4.705 1.00 0.00 H new ATOM 2117 N PRO A 138 10.460 2.260 -6.330 1.00 0.00 N ATOM 2118 CA PRO A 138 11.585 2.728 -5.516 1.00 0.00 C ATOM 2119 C PRO A 138 11.534 2.189 -4.090 1.00 0.00 C ATOM 2120 O PRO A 138 11.022 2.848 -3.184 1.00 0.00 O ATOM 2121 CB PRO A 138 11.416 4.250 -5.518 1.00 0.00 C ATOM 2122 CG PRO A 138 9.962 4.469 -5.756 1.00 0.00 C ATOM 2123 CD PRO A 138 9.514 3.343 -6.647 1.00 0.00 C ATOM 0 HA PRO A 138 12.542 2.391 -5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.732 4.685 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.019 4.714 -6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.408 4.468 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.785 5.435 -6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.485 3.051 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.560 3.621 -7.700 1.00 0.00 H new ATOM 2131 N LYS A 139 12.068 0.988 -3.898 1.00 0.00 N ATOM 2132 CA LYS A 139 12.085 0.360 -2.582 1.00 0.00 C ATOM 2133 C LYS A 139 12.985 1.132 -1.622 1.00 0.00 C ATOM 2134 O LYS A 139 14.189 1.253 -1.848 1.00 0.00 O ATOM 2135 CB LYS A 139 12.563 -1.090 -2.692 1.00 0.00 C ATOM 2136 CG LYS A 139 11.431 -2.100 -2.766 1.00 0.00 C ATOM 2137 CD LYS A 139 11.778 -3.382 -2.028 1.00 0.00 C ATOM 2138 CE LYS A 139 11.525 -4.608 -2.892 1.00 0.00 C ATOM 2139 NZ LYS A 139 12.431 -5.735 -2.534 1.00 0.00 N ATOM 0 H LYS A 139 12.495 0.430 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 139 11.069 0.372 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.188 -1.191 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.191 -1.323 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.527 -1.666 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.213 -2.327 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.825 -3.358 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 139 11.185 -3.450 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.488 -4.925 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.665 -4.348 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.227 -6.552 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 13.420 -5.441 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.279 -6.000 -1.540 1.00 0.00 H new ATOM 2153 N SER A 140 12.393 1.650 -0.551 1.00 0.00 N ATOM 2154 CA SER A 140 13.142 2.412 0.442 1.00 0.00 C ATOM 2155 C SER A 140 13.500 1.538 1.640 1.00 0.00 C ATOM 2156 O SER A 140 13.653 2.029 2.758 1.00 0.00 O ATOM 2157 CB SER A 140 12.330 3.623 0.905 1.00 0.00 C ATOM 2158 OG SER A 140 13.177 4.648 1.395 1.00 0.00 O ATOM 0 H SER A 140 11.398 1.556 -0.348 1.00 0.00 H new ATOM 0 HA SER A 140 14.065 2.758 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.735 4.004 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.632 3.320 1.685 1.00 0.00 H new ATOM 0 HG SER A 140 13.769 4.281 2.085 1.00 0.00 H new ATOM 2164 N GLY A 141 13.633 0.237 1.398 1.00 0.00 N ATOM 2165 CA GLY A 141 13.972 -0.686 2.465 1.00 0.00 C ATOM 2166 C GLY A 141 13.513 -2.101 2.176 1.00 0.00 C ATOM 2167 O GLY A 141 12.781 -2.355 1.220 1.00 0.00 O ATOM 0 H GLY A 141 13.512 -0.194 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 141 15.052 -0.681 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 141 13.519 -0.343 3.395 1.00 0.00 H new ATOM 2171 N PRO A 142 13.948 -3.052 3.016 1.00 0.00 N ATOM 2172 CA PRO A 142 13.589 -4.465 2.866 1.00 0.00 C ATOM 2173 C PRO A 142 12.119 -4.727 3.176 1.00 0.00 C ATOM 2174 O PRO A 142 11.349 -3.795 3.409 1.00 0.00 O ATOM 2175 CB PRO A 142 14.484 -5.169 3.889 1.00 0.00 C ATOM 2176 CG PRO A 142 14.776 -4.130 4.916 1.00 0.00 C ATOM 2177 CD PRO A 142 14.822 -2.820 4.178 1.00 0.00 C ATOM 0 HA PRO A 142 13.730 -4.814 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 142 13.981 -6.030 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.400 -5.537 3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 142 14.006 -4.117 5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 142 15.724 -4.330 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.460 -1.998 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 142 15.837 -2.566 3.873 1.00 0.00 H new ATOM 2185 N SER A 143 11.737 -6.000 3.177 1.00 0.00 N ATOM 2186 CA SER A 143 10.357 -6.383 3.455 1.00 0.00 C ATOM 2187 C SER A 143 10.296 -7.772 4.084 1.00 0.00 C ATOM 2188 O SER A 143 10.904 -8.719 3.585 1.00 0.00 O ATOM 2189 CB SER A 143 9.529 -6.356 2.168 1.00 0.00 C ATOM 2190 OG SER A 143 10.221 -6.985 1.103 1.00 0.00 O ATOM 0 H SER A 143 12.363 -6.783 2.989 1.00 0.00 H new ATOM 0 HA SER A 143 9.941 -5.665 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 143 8.576 -6.859 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 143 9.302 -5.324 1.899 1.00 0.00 H new ATOM 0 HG SER A 143 10.627 -7.817 1.423 1.00 0.00 H new ATOM 2196 N SER A 144 9.557 -7.884 5.182 1.00 0.00 N ATOM 2197 CA SER A 144 9.418 -9.156 5.883 1.00 0.00 C ATOM 2198 C SER A 144 8.361 -9.059 6.979 1.00 0.00 C ATOM 2199 O SER A 144 8.456 -8.224 7.877 1.00 0.00 O ATOM 2200 CB SER A 144 10.758 -9.578 6.488 1.00 0.00 C ATOM 2201 OG SER A 144 11.522 -10.329 5.560 1.00 0.00 O ATOM 0 H SER A 144 9.045 -7.110 5.606 1.00 0.00 H new ATOM 0 HA SER A 144 9.100 -9.908 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 144 11.317 -8.694 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 144 10.585 -10.171 7.386 1.00 0.00 H new ATOM 0 HG SER A 144 11.618 -9.820 4.728 1.00 0.00 H new ATOM 2207 N GLY A 145 7.352 -9.922 6.897 1.00 0.00 N ATOM 2208 CA GLY A 145 6.291 -9.918 7.887 1.00 0.00 C ATOM 2209 C GLY A 145 6.548 -10.895 9.017 1.00 0.00 C ATOM 2210 O GLY A 145 5.845 -10.886 10.027 1.00 0.00 O ATOM 0 H GLY A 145 7.251 -10.623 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 145 6.184 -8.914 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 145 5.346 -10.167 7.404 1.00 0.00 H new TER 2214 GLY A 145