USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 934 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 97 HIS :FLIP no HD1:sc= 0.172 F(o=-0.83,f=0.68) USER MOD Set 1.2: A 99 SER OG : rot -67:sc= 0.507 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.351 X(o=-1.3,f=-1.3) USER MOD Set 2.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 86 ASN : amide:sc= -0.955 K(o=-1.3,f=-2.1) USER MOD Set 3.1: A 45 GLN : amide:sc= 0.138 K(o=1.5,f=-0.25) USER MOD Set 3.2: A 123 SER OG : rot 87:sc= 1.33 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 2:sc= 1.1 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.248 (180deg=-1.04) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.19) USER MOD Single : A 29 TYR OH : rot 104:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0725) USER MOD Single : A 31 MET CE :methyl 148:sc= -0.108 (180deg=-0.626) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.4) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= 0.544 (180deg=0.116) USER MOD Single : A 57 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.827 K(o=0.83,f=-5.9!) USER MOD Single : A 68 GLN : amide:sc= -0.154 K(o=-0.15,f=-4!) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 82:sc= 1.12 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 76:sc= 0.106 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 102 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 104 SER OG : rot 69:sc= 1.24 USER MOD Single : A 105 GLN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD Single : A 107 THR OG1 : rot -49:sc= 0.658 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.256 4.691 -17.181 1.00 0.00 N ATOM 2 CA GLY A 1 22.957 5.265 -16.809 1.00 0.00 C ATOM 3 C GLY A 1 23.063 6.773 -16.662 1.00 0.00 C ATOM 4 O GLY A 1 23.727 7.265 -15.748 1.00 0.00 O ATOM 0 H1 GLY A 1 24.165 3.659 -17.277 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.569 5.097 -18.086 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.956 4.909 -16.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.214 5.019 -17.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.614 4.826 -15.872 1.00 0.00 H new ATOM 8 N SER A 2 22.428 7.532 -17.555 1.00 0.00 N ATOM 9 CA SER A 2 22.442 8.987 -17.570 1.00 0.00 C ATOM 10 C SER A 2 21.056 9.442 -18.012 1.00 0.00 C ATOM 11 O SER A 2 20.730 9.388 -19.202 1.00 0.00 O ATOM 12 CB SER A 2 23.568 9.484 -18.486 1.00 0.00 C ATOM 13 OG SER A 2 23.758 10.873 -18.316 1.00 0.00 O ATOM 0 H SER A 2 21.872 7.133 -18.312 1.00 0.00 H new ATOM 0 HA SER A 2 22.649 9.410 -16.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.492 8.953 -18.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.323 9.268 -19.526 1.00 0.00 H new ATOM 0 HG SER A 2 24.480 11.179 -18.904 1.00 0.00 H new ATOM 19 N SER A 3 20.214 9.818 -17.050 1.00 0.00 N ATOM 20 CA SER A 3 18.777 10.025 -17.235 1.00 0.00 C ATOM 21 C SER A 3 18.374 11.468 -16.908 1.00 0.00 C ATOM 22 O SER A 3 17.244 11.713 -16.489 1.00 0.00 O ATOM 23 CB SER A 3 17.995 9.015 -16.379 1.00 0.00 C ATOM 24 OG SER A 3 18.603 7.728 -16.394 1.00 0.00 O ATOM 0 H SER A 3 20.521 9.992 -16.093 1.00 0.00 H new ATOM 0 HA SER A 3 18.531 9.858 -18.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.936 9.377 -15.353 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.973 8.939 -16.750 1.00 0.00 H new ATOM 0 HG SER A 3 18.080 7.113 -15.838 1.00 0.00 H new ATOM 30 N GLY A 4 19.300 12.424 -17.036 1.00 0.00 N ATOM 31 CA GLY A 4 19.139 13.735 -16.425 1.00 0.00 C ATOM 32 C GLY A 4 19.269 13.606 -14.909 1.00 0.00 C ATOM 33 O GLY A 4 19.791 12.597 -14.415 1.00 0.00 O ATOM 0 H GLY A 4 20.168 12.308 -17.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.893 14.423 -16.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.166 14.152 -16.684 1.00 0.00 H new ATOM 37 N SER A 5 18.846 14.625 -14.162 1.00 0.00 N ATOM 38 CA SER A 5 18.744 14.544 -12.713 1.00 0.00 C ATOM 39 C SER A 5 17.694 15.541 -12.217 1.00 0.00 C ATOM 40 O SER A 5 17.424 16.538 -12.894 1.00 0.00 O ATOM 41 CB SER A 5 20.124 14.804 -12.086 1.00 0.00 C ATOM 42 OG SER A 5 20.386 13.885 -11.043 1.00 0.00 O ATOM 0 H SER A 5 18.566 15.527 -14.547 1.00 0.00 H new ATOM 0 HA SER A 5 18.424 13.547 -12.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.896 14.722 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.166 15.822 -11.698 1.00 0.00 H new ATOM 0 HG SER A 5 21.269 14.068 -10.660 1.00 0.00 H new ATOM 48 N SER A 6 17.118 15.290 -11.040 1.00 0.00 N ATOM 49 CA SER A 6 15.964 16.009 -10.525 1.00 0.00 C ATOM 50 C SER A 6 16.006 16.078 -8.992 1.00 0.00 C ATOM 51 O SER A 6 16.915 15.556 -8.336 1.00 0.00 O ATOM 52 CB SER A 6 14.708 15.281 -11.033 1.00 0.00 C ATOM 53 OG SER A 6 13.570 16.116 -11.037 1.00 0.00 O ATOM 0 H SER A 6 17.453 14.563 -10.408 1.00 0.00 H new ATOM 0 HA SER A 6 15.959 17.041 -10.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.888 14.911 -12.042 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.516 14.411 -10.405 1.00 0.00 H new ATOM 0 HG SER A 6 12.797 15.613 -11.368 1.00 0.00 H new ATOM 59 N GLY A 7 15.003 16.722 -8.406 1.00 0.00 N ATOM 60 CA GLY A 7 14.696 16.755 -6.989 1.00 0.00 C ATOM 61 C GLY A 7 13.259 17.240 -6.806 1.00 0.00 C ATOM 62 O GLY A 7 12.672 17.845 -7.710 1.00 0.00 O ATOM 0 H GLY A 7 14.339 17.272 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.818 15.763 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.387 17.418 -6.469 1.00 0.00 H new ATOM 66 N THR A 8 12.688 16.981 -5.634 1.00 0.00 N ATOM 67 CA THR A 8 11.346 17.382 -5.237 1.00 0.00 C ATOM 68 C THR A 8 11.365 17.495 -3.706 1.00 0.00 C ATOM 69 O THR A 8 12.127 16.780 -3.043 1.00 0.00 O ATOM 70 CB THR A 8 10.316 16.368 -5.791 1.00 0.00 C ATOM 71 OG1 THR A 8 8.990 16.726 -5.454 1.00 0.00 O ATOM 72 CG2 THR A 8 10.532 14.930 -5.303 1.00 0.00 C ATOM 0 H THR A 8 13.172 16.461 -4.902 1.00 0.00 H new ATOM 0 HA THR A 8 11.044 18.345 -5.649 1.00 0.00 H new ATOM 0 HB THR A 8 10.471 16.403 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.369 16.064 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.770 14.281 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.519 14.586 -5.611 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.460 14.900 -4.216 1.00 0.00 H new ATOM 80 N VAL A 9 10.568 18.401 -3.136 1.00 0.00 N ATOM 81 CA VAL A 9 10.499 18.626 -1.700 1.00 0.00 C ATOM 82 C VAL A 9 9.106 19.157 -1.342 1.00 0.00 C ATOM 83 O VAL A 9 8.768 20.308 -1.633 1.00 0.00 O ATOM 84 CB VAL A 9 11.685 19.505 -1.238 1.00 0.00 C ATOM 85 CG1 VAL A 9 11.821 20.879 -1.906 1.00 0.00 C ATOM 86 CG2 VAL A 9 11.678 19.659 0.281 1.00 0.00 C ATOM 0 H VAL A 9 9.945 19.006 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 9 10.615 17.696 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 9 12.563 18.954 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.688 21.398 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.948 20.750 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.923 21.467 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 9 12.519 20.280 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.746 20.129 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.763 18.677 0.747 1.00 0.00 H new ATOM 96 N ALA A 10 8.287 18.301 -0.727 1.00 0.00 N ATOM 97 CA ALA A 10 6.974 18.625 -0.189 1.00 0.00 C ATOM 98 C ALA A 10 6.810 17.896 1.148 1.00 0.00 C ATOM 99 O ALA A 10 7.490 16.895 1.402 1.00 0.00 O ATOM 100 CB ALA A 10 5.890 18.201 -1.188 1.00 0.00 C ATOM 0 H ALA A 10 8.536 17.322 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 10 6.877 19.698 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.907 18.444 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.036 18.730 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.955 17.127 -1.361 1.00 0.00 H new ATOM 106 N SER A 11 5.918 18.388 2.005 1.00 0.00 N ATOM 107 CA SER A 11 5.455 17.797 3.260 1.00 0.00 C ATOM 108 C SER A 11 4.171 18.543 3.666 1.00 0.00 C ATOM 109 O SER A 11 3.818 19.543 3.033 1.00 0.00 O ATOM 110 CB SER A 11 6.537 17.938 4.343 1.00 0.00 C ATOM 111 OG SER A 11 7.664 17.134 4.038 1.00 0.00 O ATOM 0 H SER A 11 5.463 19.283 1.826 1.00 0.00 H new ATOM 0 HA SER A 11 5.253 16.733 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.841 18.981 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.129 17.647 5.311 1.00 0.00 H new ATOM 0 HG SER A 11 7.518 16.677 3.184 1.00 0.00 H new ATOM 117 N ARG A 12 3.469 18.103 4.718 1.00 0.00 N ATOM 118 CA ARG A 12 2.255 18.779 5.188 1.00 0.00 C ATOM 119 C ARG A 12 2.147 18.783 6.710 1.00 0.00 C ATOM 120 O ARG A 12 1.750 19.811 7.253 1.00 0.00 O ATOM 121 CB ARG A 12 1.029 18.149 4.496 1.00 0.00 C ATOM 122 CG ARG A 12 -0.104 19.144 4.191 1.00 0.00 C ATOM 123 CD ARG A 12 -1.200 19.248 5.257 1.00 0.00 C ATOM 124 NE ARG A 12 -0.870 20.191 6.333 1.00 0.00 N ATOM 125 CZ ARG A 12 -1.741 20.777 7.157 1.00 0.00 C ATOM 126 NH1 ARG A 12 -3.049 20.571 7.037 1.00 0.00 N ATOM 127 NH2 ARG A 12 -1.285 21.561 8.122 1.00 0.00 N ATOM 0 H ARG A 12 3.723 17.278 5.261 1.00 0.00 H new ATOM 0 HA ARG A 12 2.301 19.832 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.351 17.685 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.638 17.353 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.333 20.132 4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.567 18.861 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.131 19.558 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.375 18.262 5.687 1.00 0.00 H new ATOM 0 HE ARG A 12 0.116 20.419 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.403 19.955 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.698 21.028 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.281 21.709 8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.937 22.016 8.760 1.00 0.00 H new ATOM 141 N LEU A 13 2.541 17.702 7.390 1.00 0.00 N ATOM 142 CA LEU A 13 2.503 17.483 8.841 1.00 0.00 C ATOM 143 C LEU A 13 1.188 17.960 9.462 1.00 0.00 C ATOM 144 O LEU A 13 1.068 19.113 9.885 1.00 0.00 O ATOM 145 CB LEU A 13 3.722 18.108 9.560 1.00 0.00 C ATOM 146 CG LEU A 13 5.045 17.318 9.539 1.00 0.00 C ATOM 147 CD1 LEU A 13 4.922 15.955 10.234 1.00 0.00 C ATOM 148 CD2 LEU A 13 5.622 17.149 8.131 1.00 0.00 C ATOM 0 H LEU A 13 2.925 16.893 6.902 1.00 0.00 H new ATOM 0 HA LEU A 13 2.560 16.404 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.908 19.086 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.448 18.276 10.601 1.00 0.00 H new ATOM 0 HG LEU A 13 5.749 17.927 10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.880 15.438 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.634 16.102 11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.164 15.356 9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.553 16.585 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.908 16.612 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.817 18.130 7.698 1.00 0.00 H new ATOM 160 N SER A 14 0.199 17.071 9.548 1.00 0.00 N ATOM 161 CA SER A 14 -1.012 17.307 10.315 1.00 0.00 C ATOM 162 C SER A 14 -1.486 15.970 10.889 1.00 0.00 C ATOM 163 O SER A 14 -1.281 14.932 10.259 1.00 0.00 O ATOM 164 CB SER A 14 -2.056 17.962 9.403 1.00 0.00 C ATOM 165 OG SER A 14 -3.032 18.669 10.151 1.00 0.00 O ATOM 0 H SER A 14 0.221 16.163 9.083 1.00 0.00 H new ATOM 0 HA SER A 14 -0.837 17.986 11.149 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.560 18.645 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.544 17.197 8.799 1.00 0.00 H new ATOM 0 HG SER A 14 -3.681 19.076 9.540 1.00 0.00 H new ATOM 171 N ASP A 15 -2.161 16.031 12.042 1.00 0.00 N ATOM 172 CA ASP A 15 -2.757 14.961 12.856 1.00 0.00 C ATOM 173 C ASP A 15 -1.812 13.823 13.245 1.00 0.00 C ATOM 174 O ASP A 15 -0.845 13.502 12.557 1.00 0.00 O ATOM 175 CB ASP A 15 -4.032 14.388 12.208 1.00 0.00 C ATOM 176 CG ASP A 15 -5.270 15.220 12.503 1.00 0.00 C ATOM 177 OD1 ASP A 15 -5.545 15.467 13.698 1.00 0.00 O ATOM 178 OD2 ASP A 15 -5.967 15.602 11.531 1.00 0.00 O ATOM 0 H ASP A 15 -2.323 16.938 12.480 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.011 15.464 13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.890 14.327 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.190 13.371 12.566 1.00 0.00 H new ATOM 183 N THR A 16 -2.122 13.151 14.355 1.00 0.00 N ATOM 184 CA THR A 16 -1.398 11.946 14.749 1.00 0.00 C ATOM 185 C THR A 16 -1.842 10.749 13.904 1.00 0.00 C ATOM 186 O THR A 16 -1.007 9.898 13.586 1.00 0.00 O ATOM 187 CB THR A 16 -1.559 11.704 16.256 1.00 0.00 C ATOM 188 OG1 THR A 16 -1.153 12.878 16.928 1.00 0.00 O ATOM 189 CG2 THR A 16 -0.680 10.552 16.744 1.00 0.00 C ATOM 0 H THR A 16 -2.869 13.422 14.995 1.00 0.00 H new ATOM 0 HA THR A 16 -0.334 12.082 14.558 1.00 0.00 H new ATOM 0 HB THR A 16 -2.600 11.451 16.457 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.248 12.751 17.895 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.824 10.413 17.816 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.955 9.637 16.220 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.366 10.783 16.545 1.00 0.00 H new ATOM 197 N LYS A 17 -3.121 10.670 13.495 1.00 0.00 N ATOM 198 CA LYS A 17 -3.515 9.625 12.555 1.00 0.00 C ATOM 199 C LYS A 17 -2.925 9.929 11.177 1.00 0.00 C ATOM 200 O LYS A 17 -2.208 9.087 10.633 1.00 0.00 O ATOM 201 CB LYS A 17 -5.039 9.510 12.467 1.00 0.00 C ATOM 202 CG LYS A 17 -5.431 8.239 11.690 1.00 0.00 C ATOM 203 CD LYS A 17 -6.442 7.346 12.409 1.00 0.00 C ATOM 204 CE LYS A 17 -5.910 6.551 13.609 1.00 0.00 C ATOM 205 NZ LYS A 17 -5.859 7.360 14.844 1.00 0.00 N ATOM 0 H LYS A 17 -3.870 11.296 13.792 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.129 8.671 12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.467 9.480 13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.450 10.390 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.844 8.531 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.531 7.659 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.268 7.970 12.750 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.852 6.641 11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.545 5.680 13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.911 6.179 13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.913 6.733 15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.968 7.895 14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.661 8.022 14.859 1.00 0.00 H new ATOM 219 N ALA A 18 -3.164 11.141 10.664 1.00 0.00 N ATOM 220 CA ALA A 18 -2.964 11.411 9.249 1.00 0.00 C ATOM 221 C ALA A 18 -1.487 11.344 8.893 1.00 0.00 C ATOM 222 O ALA A 18 -1.156 10.636 7.950 1.00 0.00 O ATOM 223 CB ALA A 18 -3.590 12.742 8.832 1.00 0.00 C ATOM 0 H ALA A 18 -3.493 11.939 11.207 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.478 10.634 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.419 12.907 7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.662 12.717 9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.136 13.552 9.403 1.00 0.00 H new ATOM 229 N ALA A 19 -0.603 12.016 9.643 1.00 0.00 N ATOM 230 CA ALA A 19 0.811 12.104 9.286 1.00 0.00 C ATOM 231 C ALA A 19 1.466 10.734 9.062 1.00 0.00 C ATOM 232 O ALA A 19 2.298 10.615 8.165 1.00 0.00 O ATOM 233 CB ALA A 19 1.581 12.897 10.346 1.00 0.00 C ATOM 0 H ALA A 19 -0.848 12.507 10.503 1.00 0.00 H new ATOM 0 HA ALA A 19 0.857 12.629 8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.633 12.953 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.170 13.904 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.489 12.399 11.311 1.00 0.00 H new ATOM 239 N GLY A 20 1.095 9.704 9.832 1.00 0.00 N ATOM 240 CA GLY A 20 1.672 8.369 9.697 1.00 0.00 C ATOM 241 C GLY A 20 1.240 7.691 8.397 1.00 0.00 C ATOM 242 O GLY A 20 2.062 7.085 7.707 1.00 0.00 O ATOM 0 H GLY A 20 0.388 9.776 10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.759 8.439 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.369 7.755 10.545 1.00 0.00 H new ATOM 246 N GLU A 21 -0.042 7.815 8.043 1.00 0.00 N ATOM 247 CA GLU A 21 -0.565 7.364 6.759 1.00 0.00 C ATOM 248 C GLU A 21 0.108 8.148 5.636 1.00 0.00 C ATOM 249 O GLU A 21 0.690 7.557 4.730 1.00 0.00 O ATOM 250 CB GLU A 21 -2.095 7.530 6.708 1.00 0.00 C ATOM 251 CG GLU A 21 -2.824 6.212 6.980 1.00 0.00 C ATOM 252 CD GLU A 21 -2.675 5.704 8.413 1.00 0.00 C ATOM 253 OE1 GLU A 21 -3.314 6.263 9.333 1.00 0.00 O ATOM 254 OE2 GLU A 21 -1.981 4.686 8.625 1.00 0.00 O ATOM 0 H GLU A 21 -0.748 8.235 8.647 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.344 6.304 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.404 8.273 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.386 7.910 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.884 6.343 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.447 5.452 6.295 1.00 0.00 H new ATOM 261 N VAL A 22 0.072 9.478 5.713 1.00 0.00 N ATOM 262 CA VAL A 22 0.616 10.373 4.706 1.00 0.00 C ATOM 263 C VAL A 22 2.112 10.116 4.498 1.00 0.00 C ATOM 264 O VAL A 22 2.556 10.206 3.363 1.00 0.00 O ATOM 265 CB VAL A 22 0.277 11.835 5.074 1.00 0.00 C ATOM 266 CG1 VAL A 22 0.961 12.857 4.157 1.00 0.00 C ATOM 267 CG2 VAL A 22 -1.238 12.082 4.965 1.00 0.00 C ATOM 0 H VAL A 22 -0.349 9.971 6.501 1.00 0.00 H new ATOM 0 HA VAL A 22 0.151 10.176 3.740 1.00 0.00 H new ATOM 0 HB VAL A 22 0.636 11.969 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.684 13.865 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.043 12.741 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.643 12.692 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.458 13.117 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.565 11.890 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.765 11.415 5.647 1.00 0.00 H new ATOM 277 N LYS A 23 2.891 9.727 5.514 1.00 0.00 N ATOM 278 CA LYS A 23 4.299 9.375 5.307 1.00 0.00 C ATOM 279 C LYS A 23 4.417 8.167 4.393 1.00 0.00 C ATOM 280 O LYS A 23 5.217 8.188 3.468 1.00 0.00 O ATOM 281 CB LYS A 23 4.999 9.123 6.646 1.00 0.00 C ATOM 282 CG LYS A 23 6.537 9.230 6.578 1.00 0.00 C ATOM 283 CD LYS A 23 7.249 7.913 6.231 1.00 0.00 C ATOM 284 CE LYS A 23 8.752 7.980 6.535 1.00 0.00 C ATOM 285 NZ LYS A 23 9.484 8.921 5.663 1.00 0.00 N ATOM 0 H LYS A 23 2.573 9.649 6.480 1.00 0.00 H new ATOM 0 HA LYS A 23 4.797 10.216 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.627 9.838 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.729 8.130 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.805 9.981 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.907 9.587 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.800 7.097 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.102 7.687 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.892 8.275 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.182 6.985 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.378 9.193 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.685 8.464 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.904 9.770 5.504 1.00 0.00 H new ATOM 299 N ALA A 24 3.636 7.118 4.650 1.00 0.00 N ATOM 300 CA ALA A 24 3.577 5.952 3.785 1.00 0.00 C ATOM 301 C ALA A 24 3.102 6.330 2.382 1.00 0.00 C ATOM 302 O ALA A 24 3.640 5.791 1.423 1.00 0.00 O ATOM 303 CB ALA A 24 2.710 4.864 4.419 1.00 0.00 C ATOM 0 H ALA A 24 3.028 7.058 5.466 1.00 0.00 H new ATOM 0 HA ALA A 24 4.582 5.546 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.675 3.997 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.136 4.573 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.700 5.246 4.571 1.00 0.00 H new ATOM 309 N LEU A 25 2.151 7.260 2.237 1.00 0.00 N ATOM 310 CA LEU A 25 1.760 7.763 0.920 1.00 0.00 C ATOM 311 C LEU A 25 2.956 8.427 0.234 1.00 0.00 C ATOM 312 O LEU A 25 3.213 8.177 -0.938 1.00 0.00 O ATOM 313 CB LEU A 25 0.643 8.811 1.031 1.00 0.00 C ATOM 314 CG LEU A 25 0.069 9.189 -0.344 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.174 8.379 -0.695 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.273 10.671 -0.320 1.00 0.00 C ATOM 0 H LEU A 25 1.640 7.677 3.015 1.00 0.00 H new ATOM 0 HA LEU A 25 1.405 6.910 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.156 8.424 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.031 9.704 1.520 1.00 0.00 H new ATOM 0 HG LEU A 25 0.816 8.968 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.542 8.683 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.924 7.318 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.947 8.556 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.683 10.965 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.010 10.862 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.628 11.249 -0.117 1.00 0.00 H new ATOM 328 N ASP A 26 3.645 9.314 0.955 1.00 0.00 N ATOM 329 CA ASP A 26 4.757 10.119 0.463 1.00 0.00 C ATOM 330 C ASP A 26 5.824 9.189 -0.063 1.00 0.00 C ATOM 331 O ASP A 26 6.238 9.307 -1.213 1.00 0.00 O ATOM 332 CB ASP A 26 5.358 10.979 1.587 1.00 0.00 C ATOM 333 CG ASP A 26 5.991 12.270 1.079 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.815 12.232 0.141 1.00 0.00 O ATOM 335 OD2 ASP A 26 5.674 13.342 1.647 1.00 0.00 O ATOM 0 H ASP A 26 3.432 9.496 1.936 1.00 0.00 H new ATOM 0 HA ASP A 26 4.392 10.782 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.577 11.223 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.111 10.397 2.119 1.00 0.00 H new ATOM 340 N ASP A 27 6.232 8.244 0.787 1.00 0.00 N ATOM 341 CA ASP A 27 7.332 7.346 0.514 1.00 0.00 C ATOM 342 C ASP A 27 6.954 6.396 -0.621 1.00 0.00 C ATOM 343 O ASP A 27 7.768 6.132 -1.502 1.00 0.00 O ATOM 344 CB ASP A 27 7.762 6.564 1.770 1.00 0.00 C ATOM 345 CG ASP A 27 9.151 7.003 2.231 1.00 0.00 C ATOM 346 OD1 ASP A 27 10.165 6.628 1.607 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.267 7.762 3.221 1.00 0.00 O ATOM 0 H ASP A 27 5.794 8.087 1.695 1.00 0.00 H new ATOM 0 HA ASP A 27 8.190 7.944 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.040 6.726 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.766 5.495 1.555 1.00 0.00 H new ATOM 352 N PHE A 28 5.697 5.932 -0.640 1.00 0.00 N ATOM 353 CA PHE A 28 5.151 5.140 -1.730 1.00 0.00 C ATOM 354 C PHE A 28 5.251 5.918 -3.033 1.00 0.00 C ATOM 355 O PHE A 28 5.781 5.395 -4.006 1.00 0.00 O ATOM 356 CB PHE A 28 3.699 4.725 -1.447 1.00 0.00 C ATOM 357 CG PHE A 28 3.043 4.043 -2.628 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.148 2.650 -2.778 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.408 4.811 -3.624 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.655 2.035 -3.939 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.907 4.191 -4.779 1.00 0.00 C ATOM 362 CZ PHE A 28 2.042 2.803 -4.942 1.00 0.00 C ATOM 0 H PHE A 28 5.031 6.103 0.113 1.00 0.00 H new ATOM 0 HA PHE A 28 5.737 4.225 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.679 4.054 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.120 5.608 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.607 2.055 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.307 5.879 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.747 0.966 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.419 4.780 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.674 2.326 -5.839 1.00 0.00 H new ATOM 372 N TYR A 29 4.745 7.148 -3.083 1.00 0.00 N ATOM 373 CA TYR A 29 4.790 7.954 -4.297 1.00 0.00 C ATOM 374 C TYR A 29 6.195 8.275 -4.759 1.00 0.00 C ATOM 375 O TYR A 29 6.454 8.326 -5.960 1.00 0.00 O ATOM 376 CB TYR A 29 4.072 9.279 -4.065 1.00 0.00 C ATOM 377 CG TYR A 29 2.602 9.231 -4.351 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.126 8.510 -5.458 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.731 10.001 -3.570 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.780 8.568 -5.798 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.376 10.101 -3.933 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.102 9.381 -5.057 1.00 0.00 C ATOM 383 OH TYR A 29 -1.390 9.482 -5.465 1.00 0.00 O ATOM 0 H TYR A 29 4.297 7.609 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 29 4.306 7.355 -5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.221 9.585 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.530 10.044 -4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.806 7.910 -6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.098 10.515 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.409 7.990 -6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.296 10.722 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.962 8.945 -4.878 1.00 0.00 H new ATOM 393 N LYS A 30 7.088 8.496 -3.807 1.00 0.00 N ATOM 394 CA LYS A 30 8.514 8.594 -4.040 1.00 0.00 C ATOM 395 C LYS A 30 8.974 7.349 -4.780 1.00 0.00 C ATOM 396 O LYS A 30 9.527 7.458 -5.871 1.00 0.00 O ATOM 397 CB LYS A 30 9.226 8.788 -2.692 1.00 0.00 C ATOM 398 CG LYS A 30 10.083 10.047 -2.713 1.00 0.00 C ATOM 399 CD LYS A 30 10.374 10.546 -1.295 1.00 0.00 C ATOM 400 CE LYS A 30 11.228 11.811 -1.366 1.00 0.00 C ATOM 401 NZ LYS A 30 12.615 11.508 -1.770 1.00 0.00 N ATOM 0 H LYS A 30 6.831 8.615 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 30 8.761 9.454 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.489 8.857 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.850 7.921 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.021 9.842 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.573 10.827 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.440 10.753 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.893 9.775 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.786 12.510 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.231 12.304 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.206 12.355 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.987 10.736 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.630 11.219 -2.769 1.00 0.00 H new ATOM 415 N MET A 31 8.701 6.169 -4.234 1.00 0.00 N ATOM 416 CA MET A 31 9.029 4.911 -4.877 1.00 0.00 C ATOM 417 C MET A 31 8.365 4.831 -6.265 1.00 0.00 C ATOM 418 O MET A 31 9.012 4.403 -7.214 1.00 0.00 O ATOM 419 CB MET A 31 8.632 3.758 -3.944 1.00 0.00 C ATOM 420 CG MET A 31 9.399 2.483 -4.289 1.00 0.00 C ATOM 421 SD MET A 31 11.014 2.354 -3.467 1.00 0.00 S ATOM 422 CE MET A 31 10.494 1.481 -1.973 1.00 0.00 C ATOM 0 H MET A 31 8.244 6.063 -3.328 1.00 0.00 H new ATOM 0 HA MET A 31 10.102 4.835 -5.053 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.832 4.038 -2.910 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.561 3.574 -4.023 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.792 1.620 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.546 2.440 -5.368 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.300 0.831 -1.632 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.257 2.204 -1.193 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.611 0.880 -2.191 1.00 0.00 H new ATOM 432 N LEU A 32 7.126 5.316 -6.416 1.00 0.00 N ATOM 433 CA LEU A 32 6.365 5.367 -7.667 1.00 0.00 C ATOM 434 C LEU A 32 7.001 6.300 -8.716 1.00 0.00 C ATOM 435 O LEU A 32 6.679 6.179 -9.895 1.00 0.00 O ATOM 436 CB LEU A 32 4.898 5.766 -7.373 1.00 0.00 C ATOM 437 CG LEU A 32 3.894 5.333 -8.457 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.501 3.870 -8.276 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.620 6.184 -8.378 1.00 0.00 C ATOM 0 H LEU A 32 6.603 5.702 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 32 6.383 4.369 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.598 5.328 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.845 6.848 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 32 4.377 5.469 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.791 3.585 -9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.390 3.243 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.041 3.735 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.921 5.865 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.159 6.059 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.873 7.233 -8.529 1.00 0.00 H new ATOM 451 N GLN A 33 7.873 7.235 -8.316 1.00 0.00 N ATOM 452 CA GLN A 33 8.643 8.106 -9.209 1.00 0.00 C ATOM 453 C GLN A 33 10.031 7.532 -9.484 1.00 0.00 C ATOM 454 O GLN A 33 10.592 7.793 -10.547 1.00 0.00 O ATOM 455 CB GLN A 33 8.860 9.483 -8.555 1.00 0.00 C ATOM 456 CG GLN A 33 7.594 10.328 -8.417 1.00 0.00 C ATOM 457 CD GLN A 33 7.386 11.251 -9.613 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.912 12.369 -9.645 1.00 0.00 O ATOM 459 NE2 GLN A 33 6.629 10.824 -10.607 1.00 0.00 N ATOM 0 H GLN A 33 8.067 7.410 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 33 8.074 8.188 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.293 9.337 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.590 10.039 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.730 9.671 -8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.654 10.924 -7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.203 9.898 -10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.470 11.420 -11.419 1.00 0.00 H new ATOM 468 N HIS A 34 10.636 6.872 -8.496 1.00 0.00 N ATOM 469 CA HIS A 34 12.009 6.410 -8.574 1.00 0.00 C ATOM 470 C HIS A 34 12.024 5.001 -9.157 1.00 0.00 C ATOM 471 O HIS A 34 12.448 4.805 -10.291 1.00 0.00 O ATOM 472 CB HIS A 34 12.686 6.493 -7.196 1.00 0.00 C ATOM 473 CG HIS A 34 12.982 7.905 -6.740 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.931 8.751 -7.271 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.394 8.563 -5.693 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.901 9.891 -6.563 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.954 9.843 -5.608 1.00 0.00 N ATOM 0 H HIS A 34 10.177 6.644 -7.614 1.00 0.00 H new ATOM 0 HA HIS A 34 12.588 7.054 -9.236 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.045 6.011 -6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.618 5.929 -7.226 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.629 8.163 -5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.551 10.736 -6.737 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.698 10.585 -4.957 1.00 0.00 H new ATOM 485 N GLU A 35 11.557 4.011 -8.404 1.00 0.00 N ATOM 486 CA GLU A 35 11.701 2.602 -8.722 1.00 0.00 C ATOM 487 C GLU A 35 10.351 1.898 -8.538 1.00 0.00 C ATOM 488 O GLU A 35 10.139 1.193 -7.547 1.00 0.00 O ATOM 489 CB GLU A 35 12.866 1.997 -7.924 1.00 0.00 C ATOM 490 CG GLU A 35 12.842 2.216 -6.403 1.00 0.00 C ATOM 491 CD GLU A 35 14.126 1.700 -5.771 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.415 0.490 -5.915 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.847 2.458 -5.079 1.00 0.00 O ATOM 0 H GLU A 35 11.054 4.175 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 35 11.971 2.458 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.889 0.924 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.797 2.409 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.723 3.277 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.984 1.703 -5.969 1.00 0.00 H new ATOM 500 N PRO A 36 9.413 2.057 -9.490 1.00 0.00 N ATOM 501 CA PRO A 36 8.069 1.506 -9.368 1.00 0.00 C ATOM 502 C PRO A 36 8.024 -0.029 -9.299 1.00 0.00 C ATOM 503 O PRO A 36 6.986 -0.577 -8.930 1.00 0.00 O ATOM 504 CB PRO A 36 7.261 2.082 -10.536 1.00 0.00 C ATOM 505 CG PRO A 36 8.317 2.527 -11.544 1.00 0.00 C ATOM 506 CD PRO A 36 9.514 2.894 -10.677 1.00 0.00 C ATOM 0 HA PRO A 36 7.633 1.798 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.593 1.335 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.640 2.918 -10.215 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.561 1.730 -12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.974 3.377 -12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.450 2.713 -11.205 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.497 3.951 -10.413 1.00 0.00 H new ATOM 514 N ASP A 37 9.132 -0.743 -9.531 1.00 0.00 N ATOM 515 CA ASP A 37 9.246 -2.170 -9.202 1.00 0.00 C ATOM 516 C ASP A 37 8.975 -2.434 -7.715 1.00 0.00 C ATOM 517 O ASP A 37 8.611 -3.556 -7.358 1.00 0.00 O ATOM 518 CB ASP A 37 10.640 -2.739 -9.518 1.00 0.00 C ATOM 519 CG ASP A 37 10.945 -2.973 -10.993 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.026 -3.279 -11.781 1.00 0.00 O ATOM 521 OD2 ASP A 37 12.142 -2.920 -11.358 1.00 0.00 O ATOM 0 H ASP A 37 9.974 -0.349 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 37 8.497 -2.663 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.389 -2.057 -9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.753 -3.685 -8.989 1.00 0.00 H new ATOM 526 N ARG A 38 9.141 -1.428 -6.841 1.00 0.00 N ATOM 527 CA ARG A 38 8.873 -1.525 -5.413 1.00 0.00 C ATOM 528 C ARG A 38 7.591 -0.791 -5.003 1.00 0.00 C ATOM 529 O ARG A 38 7.323 -0.681 -3.805 1.00 0.00 O ATOM 530 CB ARG A 38 10.103 -1.055 -4.616 1.00 0.00 C ATOM 531 CG ARG A 38 11.333 -1.943 -4.873 1.00 0.00 C ATOM 532 CD ARG A 38 12.344 -1.958 -3.721 1.00 0.00 C ATOM 533 NE ARG A 38 13.239 -0.799 -3.703 1.00 0.00 N ATOM 534 CZ ARG A 38 14.059 -0.456 -2.705 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.090 -1.156 -1.566 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.840 0.608 -2.861 1.00 0.00 N ATOM 0 H ARG A 38 9.474 -0.506 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 38 8.692 -2.573 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.337 -0.025 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.868 -1.060 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.999 -2.963 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.834 -1.599 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.803 -2.002 -2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.943 -2.866 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 38 13.236 -0.199 -4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.481 -1.966 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.722 -0.880 -0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.805 1.143 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.474 0.889 -2.113 1.00 0.00 H new ATOM 550 N ALA A 39 6.778 -0.310 -5.953 1.00 0.00 N ATOM 551 CA ALA A 39 5.543 0.417 -5.683 1.00 0.00 C ATOM 552 C ALA A 39 4.398 -0.207 -6.481 1.00 0.00 C ATOM 553 O ALA A 39 4.242 0.039 -7.679 1.00 0.00 O ATOM 554 CB ALA A 39 5.728 1.902 -6.013 1.00 0.00 C ATOM 0 H ALA A 39 6.970 -0.421 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 39 5.292 0.345 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.801 2.438 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.529 2.314 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.986 2.011 -7.066 1.00 0.00 H new ATOM 560 N PHE A 40 3.618 -1.061 -5.821 1.00 0.00 N ATOM 561 CA PHE A 40 2.507 -1.797 -6.421 1.00 0.00 C ATOM 562 C PHE A 40 1.199 -1.104 -6.066 1.00 0.00 C ATOM 563 O PHE A 40 1.043 -0.655 -4.924 1.00 0.00 O ATOM 564 CB PHE A 40 2.490 -3.210 -5.841 1.00 0.00 C ATOM 565 CG PHE A 40 3.194 -4.235 -6.688 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.324 -3.883 -7.443 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.721 -5.557 -6.697 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.950 -4.851 -8.233 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.372 -6.544 -7.458 1.00 0.00 C ATOM 570 CZ PHE A 40 4.486 -6.180 -8.235 1.00 0.00 C ATOM 0 H PHE A 40 3.744 -1.265 -4.830 1.00 0.00 H new ATOM 0 HA PHE A 40 2.624 -1.833 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.953 -3.191 -4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.455 -3.520 -5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.706 -2.873 -7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.850 -5.818 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.796 -4.577 -8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.022 -7.566 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.988 -6.924 -8.836 1.00 0.00 H new ATOM 580 N TYR A 41 0.240 -1.045 -6.995 1.00 0.00 N ATOM 581 CA TYR A 41 -1.069 -0.479 -6.693 1.00 0.00 C ATOM 582 C TYR A 41 -2.217 -1.260 -7.330 1.00 0.00 C ATOM 583 O TYR A 41 -2.038 -2.003 -8.296 1.00 0.00 O ATOM 584 CB TYR A 41 -1.098 1.006 -7.062 1.00 0.00 C ATOM 585 CG TYR A 41 -1.385 1.270 -8.521 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.412 1.047 -9.515 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.683 1.658 -8.881 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.762 1.167 -10.872 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.030 1.816 -10.226 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.081 1.526 -11.231 1.00 0.00 C ATOM 591 OH TYR A 41 -2.447 1.540 -12.538 1.00 0.00 O ATOM 0 H TYR A 41 0.348 -1.380 -7.952 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.227 -0.567 -5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.855 1.506 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.138 1.453 -6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.598 0.785 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.421 1.836 -8.113 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.024 0.985 -11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.018 2.158 -10.495 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.387 1.807 -12.612 1.00 0.00 H new ATOM 601 N GLY A 42 -3.417 -1.050 -6.793 1.00 0.00 N ATOM 602 CA GLY A 42 -4.628 -1.768 -7.143 1.00 0.00 C ATOM 603 C GLY A 42 -4.594 -3.196 -6.616 1.00 0.00 C ATOM 604 O GLY A 42 -3.534 -3.811 -6.498 1.00 0.00 O ATOM 0 H GLY A 42 -3.572 -0.344 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.494 -1.247 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.746 -1.780 -8.226 1.00 0.00 H new ATOM 608 N LEU A 43 -5.776 -3.722 -6.276 1.00 0.00 N ATOM 609 CA LEU A 43 -5.940 -4.984 -5.557 1.00 0.00 C ATOM 610 C LEU A 43 -5.120 -6.094 -6.208 1.00 0.00 C ATOM 611 O LEU A 43 -4.395 -6.805 -5.528 1.00 0.00 O ATOM 612 CB LEU A 43 -7.443 -5.325 -5.492 1.00 0.00 C ATOM 613 CG LEU A 43 -7.810 -6.677 -4.847 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.388 -6.753 -3.380 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.325 -6.902 -4.909 1.00 0.00 C ATOM 0 H LEU A 43 -6.663 -3.270 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.563 -4.885 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.950 -4.534 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.841 -5.311 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.276 -7.442 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.668 -7.724 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.308 -6.625 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.886 -5.964 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.570 -7.860 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.834 -6.102 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.650 -6.904 -5.949 1.00 0.00 H new ATOM 627 N LYS A 44 -5.168 -6.188 -7.534 1.00 0.00 N ATOM 628 CA LYS A 44 -4.557 -7.233 -8.317 1.00 0.00 C ATOM 629 C LYS A 44 -3.037 -7.254 -8.127 1.00 0.00 C ATOM 630 O LYS A 44 -2.495 -8.318 -7.822 1.00 0.00 O ATOM 631 CB LYS A 44 -5.034 -6.991 -9.763 1.00 0.00 C ATOM 632 CG LYS A 44 -4.101 -7.572 -10.815 1.00 0.00 C ATOM 633 CD LYS A 44 -4.550 -7.258 -12.247 1.00 0.00 C ATOM 634 CE LYS A 44 -3.956 -5.917 -12.711 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.471 -5.515 -14.037 1.00 0.00 N ATOM 0 H LYS A 44 -5.658 -5.502 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.856 -8.234 -8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.025 -7.426 -9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.134 -5.918 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.096 -7.179 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.044 -8.653 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.232 -8.056 -12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.638 -7.217 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.192 -5.143 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.870 -5.996 -12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.302 -4.499 -14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.982 -6.056 -14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.492 -5.706 -14.085 1.00 0.00 H new ATOM 649 N GLN A 45 -2.328 -6.139 -8.344 1.00 0.00 N ATOM 650 CA GLN A 45 -0.871 -6.153 -8.209 1.00 0.00 C ATOM 651 C GLN A 45 -0.529 -6.512 -6.764 1.00 0.00 C ATOM 652 O GLN A 45 0.249 -7.424 -6.512 1.00 0.00 O ATOM 653 CB GLN A 45 -0.238 -4.815 -8.625 1.00 0.00 C ATOM 654 CG GLN A 45 -0.418 -4.533 -10.125 1.00 0.00 C ATOM 655 CD GLN A 45 0.196 -3.209 -10.600 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.759 -2.416 -9.841 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.098 -2.935 -11.896 1.00 0.00 N ATOM 0 H GLN A 45 -2.729 -5.239 -8.607 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.454 -6.900 -8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.687 -4.007 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.825 -4.826 -8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.028 -5.350 -10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.483 -4.529 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.368 -3.592 -12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.489 -2.068 -12.265 1.00 0.00 H new ATOM 666 N VAL A 46 -1.122 -5.824 -5.797 1.00 0.00 N ATOM 667 CA VAL A 46 -0.933 -6.061 -4.375 1.00 0.00 C ATOM 668 C VAL A 46 -1.142 -7.544 -4.006 1.00 0.00 C ATOM 669 O VAL A 46 -0.381 -8.087 -3.205 1.00 0.00 O ATOM 670 CB VAL A 46 -1.857 -5.110 -3.594 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.625 -5.242 -2.093 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.650 -3.624 -3.937 1.00 0.00 C ATOM 0 H VAL A 46 -1.770 -5.060 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 46 0.099 -5.846 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.865 -5.407 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.289 -4.561 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.831 -6.266 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.589 -4.994 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.336 -3.016 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.623 -3.338 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.844 -3.465 -4.998 1.00 0.00 H new ATOM 682 N GLU A 47 -2.116 -8.227 -4.604 1.00 0.00 N ATOM 683 CA GLU A 47 -2.367 -9.647 -4.368 1.00 0.00 C ATOM 684 C GLU A 47 -1.247 -10.546 -4.911 1.00 0.00 C ATOM 685 O GLU A 47 -1.096 -11.671 -4.434 1.00 0.00 O ATOM 686 CB GLU A 47 -3.709 -10.033 -5.002 1.00 0.00 C ATOM 687 CG GLU A 47 -4.885 -9.624 -4.109 1.00 0.00 C ATOM 688 CD GLU A 47 -6.231 -10.025 -4.717 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.448 -9.860 -5.941 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.097 -10.540 -3.973 1.00 0.00 O ATOM 0 H GLU A 47 -2.760 -7.805 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.397 -9.803 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.805 -9.553 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.737 -11.109 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.776 -10.090 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.864 -8.545 -3.953 1.00 0.00 H new ATOM 697 N LYS A 48 -0.446 -10.094 -5.881 1.00 0.00 N ATOM 698 CA LYS A 48 0.802 -10.735 -6.291 1.00 0.00 C ATOM 699 C LYS A 48 1.884 -10.393 -5.282 1.00 0.00 C ATOM 700 O LYS A 48 2.652 -11.266 -4.882 1.00 0.00 O ATOM 701 CB LYS A 48 1.137 -10.271 -7.726 1.00 0.00 C ATOM 702 CG LYS A 48 2.597 -10.418 -8.159 1.00 0.00 C ATOM 703 CD LYS A 48 3.042 -11.878 -8.222 1.00 0.00 C ATOM 704 CE LYS A 48 4.559 -12.014 -8.394 1.00 0.00 C ATOM 705 NZ LYS A 48 4.972 -12.509 -9.723 1.00 0.00 N ATOM 0 H LYS A 48 -0.655 -9.250 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 48 0.717 -11.822 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.515 -10.833 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.855 -9.222 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.731 -9.958 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.236 -9.876 -7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.734 -12.390 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.538 -12.374 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.022 -11.043 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.941 -12.692 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.882 -12.080 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.073 -13.544 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.252 -12.252 -10.428 1.00 0.00 H new ATOM 719 N ALA A 49 1.959 -9.136 -4.851 1.00 0.00 N ATOM 720 CA ALA A 49 2.995 -8.731 -3.925 1.00 0.00 C ATOM 721 C ALA A 49 2.902 -9.481 -2.598 1.00 0.00 C ATOM 722 O ALA A 49 3.932 -9.818 -2.010 1.00 0.00 O ATOM 723 CB ALA A 49 2.922 -7.237 -3.650 1.00 0.00 C ATOM 0 H ALA A 49 1.318 -8.392 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 49 3.946 -8.975 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.710 -6.957 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.052 -6.689 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.951 -6.994 -3.218 1.00 0.00 H new ATOM 729 N ASN A 50 1.697 -9.699 -2.080 1.00 0.00 N ATOM 730 CA ASN A 50 1.562 -10.392 -0.809 1.00 0.00 C ATOM 731 C ASN A 50 2.055 -11.838 -0.931 1.00 0.00 C ATOM 732 O ASN A 50 2.691 -12.317 0.000 1.00 0.00 O ATOM 733 CB ASN A 50 0.110 -10.308 -0.323 1.00 0.00 C ATOM 734 CG ASN A 50 -0.098 -11.090 0.964 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.341 -12.288 0.928 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.025 -10.448 2.115 1.00 0.00 N ATOM 0 H ASN A 50 0.819 -9.412 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 50 2.188 -9.907 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.160 -9.264 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.555 -10.694 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.172 -10.951 2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.179 -9.449 2.130 1.00 0.00 H new ATOM 743 N GLU A 51 1.883 -12.487 -2.087 1.00 0.00 N ATOM 744 CA GLU A 51 2.415 -13.829 -2.338 1.00 0.00 C ATOM 745 C GLU A 51 3.948 -13.860 -2.329 1.00 0.00 C ATOM 746 O GLU A 51 4.539 -14.825 -1.848 1.00 0.00 O ATOM 747 CB GLU A 51 1.866 -14.378 -3.669 1.00 0.00 C ATOM 748 CG GLU A 51 0.390 -14.758 -3.513 1.00 0.00 C ATOM 749 CD GLU A 51 -0.115 -15.683 -4.629 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.395 -16.822 -4.756 1.00 0.00 O ATOM 751 OE2 GLU A 51 -1.035 -15.312 -5.392 1.00 0.00 O ATOM 0 H GLU A 51 1.370 -12.095 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 51 2.082 -14.470 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.976 -13.629 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.443 -15.250 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.247 -15.249 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.213 -13.850 -3.501 1.00 0.00 H new ATOM 758 N ALA A 52 4.594 -12.794 -2.810 1.00 0.00 N ATOM 759 CA ALA A 52 6.050 -12.608 -2.730 1.00 0.00 C ATOM 760 C ALA A 52 6.493 -12.133 -1.340 1.00 0.00 C ATOM 761 O ALA A 52 7.679 -11.898 -1.119 1.00 0.00 O ATOM 762 CB ALA A 52 6.511 -11.601 -3.794 1.00 0.00 C ATOM 0 H ALA A 52 4.115 -12.022 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 52 6.514 -13.577 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.591 -11.470 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.252 -11.974 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.018 -10.643 -3.626 1.00 0.00 H new ATOM 768 N MET A 53 5.556 -11.948 -0.410 1.00 0.00 N ATOM 769 CA MET A 53 5.739 -11.527 0.974 1.00 0.00 C ATOM 770 C MET A 53 6.353 -10.132 1.136 1.00 0.00 C ATOM 771 O MET A 53 6.578 -9.682 2.259 1.00 0.00 O ATOM 772 CB MET A 53 6.531 -12.581 1.780 1.00 0.00 C ATOM 773 CG MET A 53 5.976 -14.006 1.678 1.00 0.00 C ATOM 774 SD MET A 53 4.669 -14.396 2.851 1.00 0.00 S ATOM 775 CE MET A 53 3.640 -15.457 1.803 1.00 0.00 C ATOM 0 H MET A 53 4.571 -12.102 -0.625 1.00 0.00 H new ATOM 0 HA MET A 53 4.733 -11.449 1.385 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.565 -12.582 1.436 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.544 -12.284 2.829 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.596 -14.161 0.668 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.795 -14.710 1.822 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.773 -15.797 2.369 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.306 -14.894 0.931 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.221 -16.320 1.477 1.00 0.00 H new ATOM 785 N ALA A 54 6.607 -9.404 0.047 1.00 0.00 N ATOM 786 CA ALA A 54 7.511 -8.252 0.084 1.00 0.00 C ATOM 787 C ALA A 54 6.835 -6.996 0.600 1.00 0.00 C ATOM 788 O ALA A 54 7.496 -5.967 0.643 1.00 0.00 O ATOM 789 CB ALA A 54 8.117 -7.956 -1.292 1.00 0.00 C ATOM 0 H ALA A 54 6.201 -9.591 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 54 8.304 -8.531 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.781 -7.095 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.683 -8.822 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.319 -7.740 -2.002 1.00 0.00 H new ATOM 795 N ILE A 55 5.540 -7.025 0.910 1.00 0.00 N ATOM 796 CA ILE A 55 4.825 -5.841 1.350 1.00 0.00 C ATOM 797 C ILE A 55 5.438 -5.414 2.684 1.00 0.00 C ATOM 798 O ILE A 55 5.338 -6.122 3.689 1.00 0.00 O ATOM 799 CB ILE A 55 3.302 -6.085 1.345 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.856 -6.210 -0.123 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.569 -4.952 2.086 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.358 -6.427 -0.319 1.00 0.00 C ATOM 0 H ILE A 55 4.965 -7.866 0.862 1.00 0.00 H new ATOM 0 HA ILE A 55 4.939 -5.001 0.665 1.00 0.00 H new ATOM 0 HB ILE A 55 3.052 -7.004 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.151 -5.306 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.393 -7.040 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.496 -5.142 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.916 -4.908 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.776 -4.002 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.138 -6.503 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.055 -7.347 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.810 -5.586 0.106 1.00 0.00 H new ATOM 814 N ASP A 56 6.135 -4.283 2.643 1.00 0.00 N ATOM 815 CA ASP A 56 6.685 -3.584 3.797 1.00 0.00 C ATOM 816 C ASP A 56 5.540 -2.896 4.523 1.00 0.00 C ATOM 817 O ASP A 56 5.374 -3.046 5.732 1.00 0.00 O ATOM 818 CB ASP A 56 7.690 -2.517 3.344 1.00 0.00 C ATOM 819 CG ASP A 56 8.061 -1.610 4.513 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.844 -2.039 5.391 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.542 -0.470 4.535 1.00 0.00 O ATOM 0 H ASP A 56 6.341 -3.808 1.764 1.00 0.00 H new ATOM 0 HA ASP A 56 7.192 -4.297 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.585 -2.996 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.262 -1.924 2.536 1.00 0.00 H new ATOM 826 N THR A 57 4.722 -2.167 3.763 1.00 0.00 N ATOM 827 CA THR A 57 3.609 -1.383 4.252 1.00 0.00 C ATOM 828 C THR A 57 2.505 -1.470 3.204 1.00 0.00 C ATOM 829 O THR A 57 2.790 -1.339 2.015 1.00 0.00 O ATOM 830 CB THR A 57 4.091 0.064 4.477 1.00 0.00 C ATOM 831 OG1 THR A 57 5.167 0.108 5.390 1.00 0.00 O ATOM 832 CG2 THR A 57 3.003 0.939 5.094 1.00 0.00 C ATOM 0 H THR A 57 4.829 -2.111 2.750 1.00 0.00 H new ATOM 0 HA THR A 57 3.222 -1.750 5.203 1.00 0.00 H new ATOM 0 HB THR A 57 4.378 0.428 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.014 0.121 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.386 1.950 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.139 0.967 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.706 0.525 6.058 1.00 0.00 H new ATOM 840 N LEU A 58 1.256 -1.657 3.628 1.00 0.00 N ATOM 841 CA LEU A 58 0.069 -1.634 2.777 1.00 0.00 C ATOM 842 C LEU A 58 -0.689 -0.368 3.126 1.00 0.00 C ATOM 843 O LEU A 58 -0.713 0.031 4.286 1.00 0.00 O ATOM 844 CB LEU A 58 -0.812 -2.866 3.049 1.00 0.00 C ATOM 845 CG LEU A 58 -2.111 -2.917 2.211 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.863 -3.504 0.826 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.190 -3.758 2.882 1.00 0.00 C ATOM 0 H LEU A 58 1.036 -1.835 4.608 1.00 0.00 H new ATOM 0 HA LEU A 58 0.346 -1.654 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.230 -3.766 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.075 -2.884 4.107 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.448 -1.884 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.798 -3.524 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.136 -2.890 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.478 -4.519 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.085 -3.766 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.828 -4.778 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.430 -3.332 3.856 1.00 0.00 H new ATOM 859 N LEU A 59 -1.265 0.268 2.111 1.00 0.00 N ATOM 860 CA LEU A 59 -2.093 1.457 2.196 1.00 0.00 C ATOM 861 C LEU A 59 -3.465 1.097 1.620 1.00 0.00 C ATOM 862 O LEU A 59 -3.530 0.601 0.495 1.00 0.00 O ATOM 863 CB LEU A 59 -1.470 2.660 1.449 1.00 0.00 C ATOM 864 CG LEU A 59 -0.015 2.601 0.941 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.347 3.838 0.111 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.042 2.563 2.040 1.00 0.00 C ATOM 0 H LEU A 59 -1.157 -0.056 1.150 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.180 1.771 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.103 2.865 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.544 3.523 2.111 1.00 0.00 H new ATOM 0 HG LEU A 59 0.001 1.675 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.380 3.759 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.315 3.903 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.234 4.733 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.034 2.522 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.959 3.459 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.889 1.681 2.661 1.00 0.00 H new ATOM 878 N ILE A 60 -4.559 1.304 2.362 1.00 0.00 N ATOM 879 CA ILE A 60 -5.909 1.081 1.837 1.00 0.00 C ATOM 880 C ILE A 60 -6.863 2.162 2.347 1.00 0.00 C ATOM 881 O ILE A 60 -6.756 2.568 3.508 1.00 0.00 O ATOM 882 CB ILE A 60 -6.378 -0.348 2.200 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.587 -0.718 1.326 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.720 -0.511 3.696 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.980 -2.189 1.420 1.00 0.00 C ATOM 0 H ILE A 60 -4.534 1.626 3.329 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.902 1.157 0.750 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.548 -1.027 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.438 -0.104 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.362 -0.476 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.042 -1.535 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.838 -0.291 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.522 0.177 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.840 -2.378 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.144 -2.810 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.237 -2.432 2.451 1.00 0.00 H new ATOM 897 N SER A 61 -7.807 2.596 1.510 1.00 0.00 N ATOM 898 CA SER A 61 -8.911 3.446 1.927 1.00 0.00 C ATOM 899 C SER A 61 -9.854 2.645 2.828 1.00 0.00 C ATOM 900 O SER A 61 -10.193 1.499 2.511 1.00 0.00 O ATOM 901 CB SER A 61 -9.636 3.996 0.687 1.00 0.00 C ATOM 902 OG SER A 61 -9.748 5.404 0.782 1.00 0.00 O ATOM 0 H SER A 61 -7.822 2.363 0.517 1.00 0.00 H new ATOM 0 HA SER A 61 -8.539 4.296 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.088 3.726 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.626 3.548 0.605 1.00 0.00 H new ATOM 0 HG SER A 61 -10.209 5.750 -0.011 1.00 0.00 H new ATOM 908 N ASP A 62 -10.328 3.247 3.923 1.00 0.00 N ATOM 909 CA ASP A 62 -11.314 2.616 4.794 1.00 0.00 C ATOM 910 C ASP A 62 -12.549 2.238 3.988 1.00 0.00 C ATOM 911 O ASP A 62 -13.061 1.146 4.177 1.00 0.00 O ATOM 912 CB ASP A 62 -11.681 3.439 6.041 1.00 0.00 C ATOM 913 CG ASP A 62 -12.753 4.507 5.807 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.384 5.618 5.370 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.941 4.277 6.145 1.00 0.00 O ATOM 0 H ASP A 62 -10.040 4.177 4.226 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.845 1.715 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.028 2.759 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.780 3.923 6.418 1.00 0.00 H new ATOM 920 N GLU A 63 -12.966 3.045 3.012 1.00 0.00 N ATOM 921 CA GLU A 63 -14.136 2.725 2.202 1.00 0.00 C ATOM 922 C GLU A 63 -14.040 1.397 1.425 1.00 0.00 C ATOM 923 O GLU A 63 -15.067 0.862 1.003 1.00 0.00 O ATOM 924 CB GLU A 63 -14.468 3.875 1.252 1.00 0.00 C ATOM 925 CG GLU A 63 -13.424 4.169 0.171 1.00 0.00 C ATOM 926 CD GLU A 63 -14.094 4.820 -1.043 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.927 4.144 -1.696 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.842 6.015 -1.316 1.00 0.00 O ATOM 0 H GLU A 63 -12.510 3.923 2.765 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.947 2.587 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.417 3.655 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.616 4.779 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.653 4.829 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.929 3.245 -0.129 1.00 0.00 H new ATOM 935 N LEU A 64 -12.833 0.856 1.233 1.00 0.00 N ATOM 936 CA LEU A 64 -12.606 -0.475 0.673 1.00 0.00 C ATOM 937 C LEU A 64 -12.532 -1.497 1.805 1.00 0.00 C ATOM 938 O LEU A 64 -13.151 -2.559 1.740 1.00 0.00 O ATOM 939 CB LEU A 64 -11.302 -0.507 -0.135 1.00 0.00 C ATOM 940 CG LEU A 64 -11.208 0.507 -1.287 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.903 0.239 -2.037 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.397 0.444 -2.254 1.00 0.00 C ATOM 0 H LEU A 64 -11.969 1.344 1.469 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.433 -0.720 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.469 -0.333 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.175 -1.509 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.228 1.510 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.807 0.944 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.061 0.360 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.910 -0.779 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.265 1.186 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.453 -0.550 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.319 0.651 -1.711 1.00 0.00 H new ATOM 954 N PHE A 65 -11.826 -1.154 2.886 1.00 0.00 N ATOM 955 CA PHE A 65 -11.786 -1.923 4.124 1.00 0.00 C ATOM 956 C PHE A 65 -13.192 -2.241 4.664 1.00 0.00 C ATOM 957 O PHE A 65 -13.362 -3.245 5.361 1.00 0.00 O ATOM 958 CB PHE A 65 -10.983 -1.117 5.155 1.00 0.00 C ATOM 959 CG PHE A 65 -10.536 -1.861 6.393 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.806 -3.059 6.283 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.834 -1.331 7.665 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.418 -3.749 7.444 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.420 -2.008 8.824 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.718 -3.220 8.712 1.00 0.00 C ATOM 0 H PHE A 65 -11.253 -0.311 2.921 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.311 -2.884 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.099 -0.715 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.587 -0.266 5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.545 -3.447 5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.381 -0.404 7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.889 -4.687 7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.641 -1.598 9.799 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.408 -3.747 9.602 1.00 0.00 H new ATOM 974 N ARG A 66 -14.199 -1.417 4.353 1.00 0.00 N ATOM 975 CA ARG A 66 -15.600 -1.579 4.724 1.00 0.00 C ATOM 976 C ARG A 66 -16.495 -1.514 3.474 1.00 0.00 C ATOM 977 O ARG A 66 -17.588 -0.953 3.530 1.00 0.00 O ATOM 978 CB ARG A 66 -15.998 -0.658 5.907 1.00 0.00 C ATOM 979 CG ARG A 66 -14.956 0.366 6.380 1.00 0.00 C ATOM 980 CD ARG A 66 -15.390 1.120 7.628 1.00 0.00 C ATOM 981 NE ARG A 66 -15.110 0.372 8.870 1.00 0.00 N ATOM 982 CZ ARG A 66 -14.155 0.689 9.756 1.00 0.00 C ATOM 983 NH1 ARG A 66 -13.606 1.900 9.767 1.00 0.00 N ATOM 984 NH2 ARG A 66 -13.723 -0.221 10.615 1.00 0.00 N ATOM 0 H ARG A 66 -14.044 -0.572 3.804 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.764 -2.577 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.900 -0.116 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.259 -1.291 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.015 -0.147 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.766 1.080 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.877 2.081 7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.458 1.330 7.568 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.686 -0.446 9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.910 2.604 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.881 2.125 10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.117 -1.162 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.996 0.019 11.290 1.00 0.00 H new ATOM 998 N HIS A 67 -16.039 -2.073 2.344 1.00 0.00 N ATOM 999 CA HIS A 67 -16.800 -2.107 1.092 1.00 0.00 C ATOM 1000 C HIS A 67 -18.168 -2.771 1.301 1.00 0.00 C ATOM 1001 O HIS A 67 -18.302 -3.705 2.103 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.997 -2.833 -0.002 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.570 -2.675 -1.391 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.684 -3.349 -1.887 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.047 -1.904 -2.387 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.833 -2.946 -3.158 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.870 -2.064 -3.481 1.00 0.00 N ATOM 0 H HIS A 67 -15.123 -2.517 2.275 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.974 -1.081 0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.974 -2.457 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.948 -3.894 0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.161 -1.289 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.613 -3.281 -3.825 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.767 -1.594 -4.381 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.187 -2.303 0.582 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.554 -2.784 0.714 1.00 0.00 C ATOM 1017 C GLN A 68 -20.703 -4.260 0.321 1.00 0.00 C ATOM 1018 O GLN A 68 -21.425 -4.992 1.003 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.501 -1.867 -0.076 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.336 -1.914 -1.607 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.361 -2.811 -2.311 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.665 -3.934 -1.903 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.947 -2.324 -3.388 1.00 0.00 N ATOM 0 H GLN A 68 -19.081 -1.568 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.831 -2.742 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.529 -2.134 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.349 -0.841 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.419 -0.902 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.333 -2.268 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.698 -1.395 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.649 -2.876 -3.880 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.038 -4.716 -0.745 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.126 -6.091 -1.227 1.00 0.00 C ATOM 1034 C ASP A 69 -19.294 -6.949 -0.300 1.00 0.00 C ATOM 1035 O ASP A 69 -18.095 -6.712 -0.148 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.630 -6.257 -2.671 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.399 -7.738 -3.015 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.243 -8.596 -2.658 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.346 -8.078 -3.604 1.00 0.00 O ATOM 0 H ASP A 69 -19.416 -4.130 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.174 -6.390 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.359 -5.831 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.702 -5.701 -2.805 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.927 -7.933 0.332 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.266 -8.799 1.286 1.00 0.00 C ATOM 1046 C VAL A 70 -18.052 -9.457 0.648 1.00 0.00 C ATOM 1047 O VAL A 70 -17.011 -9.464 1.289 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.271 -9.801 1.879 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.589 -10.824 2.799 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.309 -9.007 2.685 1.00 0.00 C ATOM 0 H VAL A 70 -20.914 -8.148 0.192 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.889 -8.212 2.123 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.736 -10.355 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.336 -11.512 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.845 -11.384 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.101 -10.304 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.036 -9.694 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.808 -8.458 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.821 -8.304 2.027 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.133 -9.966 -0.585 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.015 -10.686 -1.185 1.00 0.00 C ATOM 1062 C ALA A 71 -15.816 -9.762 -1.407 1.00 0.00 C ATOM 1063 O ALA A 71 -14.721 -10.062 -0.931 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.460 -11.335 -2.487 1.00 0.00 C ATOM 0 H ALA A 71 -18.957 -9.892 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.694 -11.468 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.622 -11.871 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.272 -12.033 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.805 -10.566 -3.178 1.00 0.00 H new ATOM 1070 N THR A 72 -16.026 -8.637 -2.094 1.00 0.00 N ATOM 1071 CA THR A 72 -15.051 -7.573 -2.306 1.00 0.00 C ATOM 1072 C THR A 72 -14.447 -7.146 -0.966 1.00 0.00 C ATOM 1073 O THR A 72 -13.225 -7.155 -0.817 1.00 0.00 O ATOM 1074 CB THR A 72 -15.763 -6.396 -3.005 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.190 -6.747 -4.307 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.886 -5.157 -3.120 1.00 0.00 C ATOM 0 H THR A 72 -16.923 -8.437 -2.537 1.00 0.00 H new ATOM 0 HA THR A 72 -14.233 -7.920 -2.937 1.00 0.00 H new ATOM 0 HB THR A 72 -16.620 -6.166 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.041 -7.230 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.441 -4.363 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.594 -4.824 -2.124 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.993 -5.395 -3.699 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.276 -6.797 0.027 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.796 -6.420 1.346 1.00 0.00 C ATOM 1086 C ARG A 73 -13.930 -7.530 1.914 1.00 0.00 C ATOM 1087 O ARG A 73 -12.823 -7.248 2.361 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.973 -6.099 2.276 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.428 -5.413 3.529 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.479 -5.128 4.599 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.802 -4.861 5.874 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.358 -4.635 7.064 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.668 -4.532 7.229 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.569 -4.481 8.110 1.00 0.00 N ATOM 0 H ARG A 73 -16.291 -6.771 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.188 -5.519 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.689 -5.451 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.504 -7.012 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.648 -6.039 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.958 -4.473 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.088 -4.272 4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.153 -5.979 4.701 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.782 -4.847 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.292 -4.626 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.053 -4.359 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.557 -4.536 7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.971 -4.307 9.031 1.00 0.00 H new ATOM 1108 N SER A 74 -14.400 -8.776 1.867 1.00 0.00 N ATOM 1109 CA SER A 74 -13.669 -9.928 2.354 1.00 0.00 C ATOM 1110 C SER A 74 -12.260 -9.973 1.752 1.00 0.00 C ATOM 1111 O SER A 74 -11.321 -10.255 2.483 1.00 0.00 O ATOM 1112 CB SER A 74 -14.444 -11.231 2.105 1.00 0.00 C ATOM 1113 OG SER A 74 -14.408 -12.052 3.254 1.00 0.00 O ATOM 0 H SER A 74 -15.315 -9.009 1.482 1.00 0.00 H new ATOM 0 HA SER A 74 -13.560 -9.828 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.478 -11.003 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.012 -11.762 1.257 1.00 0.00 H new ATOM 0 HG SER A 74 -14.907 -12.878 3.082 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.077 -9.635 0.470 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.751 -9.587 -0.155 1.00 0.00 C ATOM 1121 C ARG A 75 -9.912 -8.537 0.545 1.00 0.00 C ATOM 1122 O ARG A 75 -8.844 -8.862 1.046 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.817 -9.287 -1.664 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.596 -10.340 -2.463 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.814 -9.842 -3.893 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.854 -10.596 -4.612 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.762 -11.793 -5.201 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -11.661 -12.533 -5.139 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.812 -12.237 -5.873 1.00 0.00 N ATOM 0 H ARG A 75 -12.840 -9.388 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.298 -10.573 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.282 -8.312 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.803 -9.220 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.047 -11.282 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.556 -10.537 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.090 -8.788 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.876 -9.912 -4.443 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.767 -10.145 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.846 -12.193 -4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.630 -13.441 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.658 -11.670 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.775 -13.146 -6.334 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.374 -7.286 0.605 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.623 -6.229 1.262 1.00 0.00 C ATOM 1145 C TYR A 76 -9.267 -6.568 2.707 1.00 0.00 C ATOM 1146 O TYR A 76 -8.106 -6.415 3.079 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.399 -4.919 1.187 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.584 -4.419 -0.228 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.473 -4.200 -1.068 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.878 -4.172 -0.706 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.657 -3.718 -2.375 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -12.063 -3.674 -2.003 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.959 -3.454 -2.850 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.145 -2.982 -4.111 1.00 0.00 O ATOM 0 H TYR A 76 -11.264 -6.987 0.206 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.677 -6.122 0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.377 -5.056 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.876 -4.160 1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.476 -4.404 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.733 -4.365 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.803 -3.550 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.060 -3.457 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.103 -2.856 -4.275 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.223 -6.998 3.535 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.927 -7.303 4.937 1.00 0.00 C ATOM 1166 C VAL A 77 -8.962 -8.483 5.035 1.00 0.00 C ATOM 1167 O VAL A 77 -8.037 -8.430 5.845 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.191 -7.513 5.797 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.178 -6.360 5.593 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.926 -8.827 5.529 1.00 0.00 C ATOM 0 H VAL A 77 -11.196 -7.141 3.264 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.438 -6.424 5.358 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.828 -7.548 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.063 -6.526 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.706 -5.421 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.469 -6.311 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.801 -8.893 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.242 -8.861 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.260 -9.665 5.734 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.143 -9.518 4.204 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.256 -10.668 4.190 1.00 0.00 C ATOM 1182 C ARG A 78 -6.871 -10.220 3.803 1.00 0.00 C ATOM 1183 O ARG A 78 -5.944 -10.485 4.547 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.758 -11.785 3.266 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.778 -12.661 4.010 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.842 -14.063 3.414 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.884 -14.868 4.072 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.729 -15.854 4.966 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.531 -16.276 5.352 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.802 -16.427 5.487 1.00 0.00 N ATOM 0 H ARG A 78 -9.906 -9.573 3.530 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.234 -11.094 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.217 -11.354 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.919 -12.394 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.507 -12.723 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.763 -12.197 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.047 -13.999 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.875 -14.553 3.524 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.846 -14.647 3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.690 -15.847 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.451 -17.029 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.733 -16.117 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.699 -17.179 6.169 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.699 -9.512 2.695 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.410 -9.006 2.249 1.00 0.00 C ATOM 1206 C LEU A 79 -4.750 -8.147 3.331 1.00 0.00 C ATOM 1207 O LEU A 79 -3.557 -8.298 3.575 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.629 -8.235 0.944 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.357 -7.610 0.349 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.272 -8.646 0.023 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.783 -6.896 -0.935 1.00 0.00 C ATOM 0 H LEU A 79 -7.467 -9.269 2.069 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.722 -9.831 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.065 -8.910 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.357 -7.444 1.122 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.917 -6.933 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.400 -8.141 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.986 -9.172 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.658 -9.361 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.913 -6.433 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.221 -7.618 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.519 -6.128 -0.697 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.509 -7.278 4.005 1.00 0.00 N ATOM 1224 CA VAL A 80 -5.004 -6.460 5.103 1.00 0.00 C ATOM 1225 C VAL A 80 -4.431 -7.354 6.215 1.00 0.00 C ATOM 1226 O VAL A 80 -3.306 -7.152 6.678 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.109 -5.493 5.596 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.834 -4.904 6.988 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.286 -4.318 4.623 1.00 0.00 C ATOM 0 H VAL A 80 -6.496 -7.124 3.800 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.179 -5.838 4.756 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.012 -6.102 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.649 -4.237 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.760 -5.711 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.898 -4.346 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.068 -3.654 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.349 -3.767 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.567 -4.698 3.641 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.212 -8.336 6.655 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.877 -9.287 7.712 1.00 0.00 C ATOM 1241 C ASP A 81 -3.739 -10.224 7.273 1.00 0.00 C ATOM 1242 O ASP A 81 -2.879 -10.576 8.073 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.169 -10.071 7.985 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.087 -11.082 9.120 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.261 -10.660 10.287 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -6.057 -12.304 8.857 1.00 0.00 O ATOM 0 H ASP A 81 -6.141 -8.499 6.266 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.520 -8.781 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.965 -9.361 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.456 -10.595 7.073 1.00 0.00 H new ATOM 1251 N SER A 82 -3.671 -10.562 5.984 1.00 0.00 N ATOM 1252 CA SER A 82 -2.646 -11.401 5.371 1.00 0.00 C ATOM 1253 C SER A 82 -1.314 -10.664 5.297 1.00 0.00 C ATOM 1254 O SER A 82 -0.266 -11.296 5.342 1.00 0.00 O ATOM 1255 CB SER A 82 -3.050 -11.828 3.953 1.00 0.00 C ATOM 1256 OG SER A 82 -4.331 -12.423 3.947 1.00 0.00 O ATOM 0 H SER A 82 -4.364 -10.241 5.308 1.00 0.00 H new ATOM 0 HA SER A 82 -2.542 -12.287 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.046 -10.960 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.317 -12.532 3.559 1.00 0.00 H new ATOM 0 HG SER A 82 -5.017 -11.723 3.929 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.318 -9.335 5.173 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.100 -8.552 5.292 1.00 0.00 C ATOM 1264 C VAL A 83 0.371 -8.594 6.749 1.00 0.00 C ATOM 1265 O VAL A 83 1.576 -8.702 6.953 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.350 -7.137 4.738 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.663 -6.081 5.204 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.361 -7.165 3.201 1.00 0.00 C ATOM 0 H VAL A 83 -2.156 -8.783 4.990 1.00 0.00 H new ATOM 0 HA VAL A 83 0.713 -8.965 4.695 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.319 -6.840 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.410 -5.116 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.635 -6.004 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.664 -6.372 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.539 -6.159 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.601 -7.526 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.153 -7.829 2.855 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.526 -8.563 7.750 1.00 0.00 N ATOM 1279 CA LYS A 84 -0.103 -8.729 9.145 1.00 0.00 C ATOM 1280 C LYS A 84 0.536 -10.097 9.344 1.00 0.00 C ATOM 1281 O LYS A 84 1.614 -10.169 9.922 1.00 0.00 O ATOM 1282 CB LYS A 84 -1.244 -8.512 10.157 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.811 -7.085 10.109 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.156 -6.553 11.508 1.00 0.00 C ATOM 1285 CE LYS A 84 -2.556 -5.076 11.447 1.00 0.00 C ATOM 1286 NZ LYS A 84 -2.671 -4.452 12.787 1.00 0.00 N ATOM 0 H LYS A 84 -1.529 -8.427 7.620 1.00 0.00 H new ATOM 0 HA LYS A 84 0.634 -7.950 9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.044 -9.224 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.878 -8.720 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.085 -6.422 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.705 -7.071 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.972 -7.138 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.298 -6.675 12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.818 -4.529 10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.509 -4.984 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.944 -3.454 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.394 -4.952 13.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.756 -4.511 13.277 1.00 0.00 H new ATOM 1300 N GLU A 85 -0.087 -11.154 8.826 1.00 0.00 N ATOM 1301 CA GLU A 85 0.459 -12.507 8.863 1.00 0.00 C ATOM 1302 C GLU A 85 1.824 -12.587 8.186 1.00 0.00 C ATOM 1303 O GLU A 85 2.749 -13.205 8.704 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.521 -13.464 8.175 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.422 -14.173 9.179 1.00 0.00 C ATOM 1306 CD GLU A 85 -0.606 -15.179 9.984 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.375 -16.293 9.468 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -0.110 -14.844 11.083 1.00 0.00 O ATOM 0 H GLU A 85 -0.994 -11.093 8.364 1.00 0.00 H new ATOM 0 HA GLU A 85 0.594 -12.792 9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.134 -12.908 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.037 -14.204 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.881 -13.445 9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.233 -14.682 8.658 1.00 0.00 H new ATOM 1315 N ASN A 86 1.962 -11.947 7.026 1.00 0.00 N ATOM 1316 CA ASN A 86 3.215 -11.874 6.277 1.00 0.00 C ATOM 1317 C ASN A 86 4.176 -10.845 6.897 1.00 0.00 C ATOM 1318 O ASN A 86 5.204 -10.531 6.287 1.00 0.00 O ATOM 1319 CB ASN A 86 2.944 -11.591 4.789 1.00 0.00 C ATOM 1320 CG ASN A 86 2.138 -12.686 4.091 1.00 0.00 C ATOM 1321 OD1 ASN A 86 1.608 -13.615 4.698 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.023 -12.611 2.783 1.00 0.00 N ATOM 0 H ASN A 86 1.192 -11.456 6.572 1.00 0.00 H new ATOM 0 HA ASN A 86 3.709 -12.844 6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.409 -10.646 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.896 -11.468 4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.496 -13.322 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.461 -11.842 2.276 1.00 0.00 H new ATOM 1329 N ALA A 87 3.868 -10.338 8.096 1.00 0.00 N ATOM 1330 CA ALA A 87 4.639 -9.446 8.950 1.00 0.00 C ATOM 1331 C ALA A 87 4.894 -8.048 8.371 1.00 0.00 C ATOM 1332 O ALA A 87 5.787 -7.356 8.862 1.00 0.00 O ATOM 1333 CB ALA A 87 5.904 -10.158 9.442 1.00 0.00 C ATOM 0 H ALA A 87 2.976 -10.572 8.532 1.00 0.00 H new ATOM 0 HA ALA A 87 4.017 -9.222 9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.476 -9.484 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.625 -11.046 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.513 -10.451 8.587 1.00 0.00 H new ATOM 1339 N GLY A 88 4.124 -7.599 7.380 1.00 0.00 N ATOM 1340 CA GLY A 88 4.161 -6.225 6.892 1.00 0.00 C ATOM 1341 C GLY A 88 3.358 -5.277 7.790 1.00 0.00 C ATOM 1342 O GLY A 88 2.590 -5.708 8.655 1.00 0.00 O ATOM 0 H GLY A 88 3.450 -8.187 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.196 -5.886 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.762 -6.189 5.878 1.00 0.00 H new ATOM 1346 N THR A 89 3.528 -3.975 7.566 1.00 0.00 N ATOM 1347 CA THR A 89 2.810 -2.892 8.229 1.00 0.00 C ATOM 1348 C THR A 89 1.463 -2.660 7.536 1.00 0.00 C ATOM 1349 O THR A 89 1.298 -2.966 6.349 1.00 0.00 O ATOM 1350 CB THR A 89 3.650 -1.598 8.174 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.998 -1.816 8.542 1.00 0.00 O ATOM 1352 CG2 THR A 89 3.085 -0.483 9.067 1.00 0.00 C ATOM 0 H THR A 89 4.204 -3.632 6.883 1.00 0.00 H new ATOM 0 HA THR A 89 2.636 -3.165 9.270 1.00 0.00 H new ATOM 0 HB THR A 89 3.601 -1.281 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.470 -2.259 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.717 0.402 8.988 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.073 -0.237 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.064 -0.822 10.103 1.00 0.00 H new ATOM 1360 N VAL A 90 0.525 -2.027 8.240 1.00 0.00 N ATOM 1361 CA VAL A 90 -0.803 -1.698 7.742 1.00 0.00 C ATOM 1362 C VAL A 90 -1.036 -0.202 7.894 1.00 0.00 C ATOM 1363 O VAL A 90 -0.549 0.422 8.841 1.00 0.00 O ATOM 1364 CB VAL A 90 -1.840 -2.525 8.518 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.257 -2.333 7.967 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -1.443 -4.003 8.471 1.00 0.00 C ATOM 0 H VAL A 90 0.677 -1.721 9.201 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.897 -1.943 6.684 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.851 -2.177 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.957 -2.936 8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.537 -1.282 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.287 -2.644 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.176 -4.594 9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.410 -4.338 7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.460 -4.130 8.925 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.789 0.375 6.958 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.114 1.804 6.956 1.00 0.00 C ATOM 1378 C ARG A 91 -3.535 1.999 6.443 1.00 0.00 C ATOM 1379 O ARG A 91 -3.844 1.606 5.315 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.120 2.592 6.078 1.00 0.00 C ATOM 1381 CG ARG A 91 0.367 2.473 6.424 1.00 0.00 C ATOM 1382 CD ARG A 91 0.724 3.363 7.612 1.00 0.00 C ATOM 1383 NE ARG A 91 2.134 3.232 8.013 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.591 2.911 9.229 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.790 2.462 10.191 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.884 3.042 9.474 1.00 0.00 N ATOM 0 H ARG A 91 -2.194 -0.138 6.175 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.039 2.183 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.253 2.270 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.393 3.646 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.608 1.436 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.969 2.754 5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.517 4.403 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.084 3.109 8.457 1.00 0.00 H new ATOM 0 HE ARG A 91 2.834 3.403 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.792 2.352 10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.174 2.227 11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.510 3.382 8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.256 2.804 10.393 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.405 2.605 7.248 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.829 2.760 6.955 1.00 0.00 C ATOM 1402 C ILE A 92 -6.089 4.243 6.690 1.00 0.00 C ATOM 1403 O ILE A 92 -6.010 5.071 7.603 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.704 2.176 8.091 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.322 0.737 8.518 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.195 2.239 7.705 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.459 -0.339 7.432 1.00 0.00 C ATOM 0 H ILE A 92 -4.134 3.012 8.143 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.108 2.192 6.067 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.513 2.804 8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.290 0.744 8.868 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.945 0.452 9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.798 1.825 8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.483 3.276 7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.360 1.661 6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.166 -1.307 7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.494 -0.386 7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.814 -0.090 6.589 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.379 4.583 5.440 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.594 5.937 4.957 1.00 0.00 C ATOM 1421 C PHE A 93 -8.079 6.279 5.080 1.00 0.00 C ATOM 1422 O PHE A 93 -8.915 5.383 5.004 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.150 6.007 3.487 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.655 6.175 3.289 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.724 5.245 3.794 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.193 7.281 2.561 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.345 5.479 3.643 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.818 7.524 2.436 1.00 0.00 C ATOM 1429 CZ PHE A 93 -1.890 6.638 2.999 1.00 0.00 C ATOM 0 H PHE A 93 -6.475 3.886 4.701 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.017 6.652 5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.471 5.097 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.663 6.839 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.069 4.353 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.901 7.950 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.633 4.762 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.473 8.398 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.832 6.846 2.937 1.00 0.00 H new ATOM 1439 N SER A 94 -8.414 7.558 5.247 1.00 0.00 N ATOM 1440 CA SER A 94 -9.793 8.022 5.315 1.00 0.00 C ATOM 1441 C SER A 94 -10.206 8.674 4.001 1.00 0.00 C ATOM 1442 O SER A 94 -9.511 9.557 3.495 1.00 0.00 O ATOM 1443 CB SER A 94 -9.949 8.984 6.496 1.00 0.00 C ATOM 1444 OG SER A 94 -10.075 8.209 7.672 1.00 0.00 O ATOM 0 H SER A 94 -7.727 8.306 5.339 1.00 0.00 H new ATOM 0 HA SER A 94 -10.455 7.171 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.086 9.646 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.826 9.617 6.360 1.00 0.00 H new ATOM 0 HG SER A 94 -10.175 8.802 8.446 1.00 0.00 H new ATOM 1450 N SER A 95 -11.377 8.285 3.494 1.00 0.00 N ATOM 1451 CA SER A 95 -12.026 8.803 2.290 1.00 0.00 C ATOM 1452 C SER A 95 -12.462 10.281 2.377 1.00 0.00 C ATOM 1453 O SER A 95 -13.241 10.751 1.544 1.00 0.00 O ATOM 1454 CB SER A 95 -13.195 7.866 1.948 1.00 0.00 C ATOM 1455 OG SER A 95 -13.956 7.512 3.095 1.00 0.00 O ATOM 0 H SER A 95 -11.931 7.555 3.941 1.00 0.00 H new ATOM 0 HA SER A 95 -11.291 8.811 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.845 8.350 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.808 6.962 1.479 1.00 0.00 H new ATOM 0 HG SER A 95 -14.689 6.917 2.831 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.041 11.010 3.410 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.548 12.322 3.810 1.00 0.00 C ATOM 1463 C LEU A 96 -11.459 13.400 3.795 1.00 0.00 C ATOM 1464 O LEU A 96 -11.728 14.553 4.134 1.00 0.00 O ATOM 1465 CB LEU A 96 -13.148 12.167 5.216 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.523 11.485 5.227 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.890 11.149 6.674 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -15.618 12.381 4.626 1.00 0.00 C ATOM 0 H LEU A 96 -11.295 10.683 4.024 1.00 0.00 H new ATOM 0 HA LEU A 96 -13.302 12.655 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.460 11.589 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.237 13.152 5.674 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.460 10.584 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.866 10.663 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.140 10.478 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.926 12.066 7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.573 11.857 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.692 13.302 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.366 12.620 3.593 1.00 0.00 H new ATOM 1480 N HIS A 97 -10.238 13.022 3.419 1.00 0.00 N ATOM 1481 CA HIS A 97 -9.027 13.824 3.474 1.00 0.00 C ATOM 1482 C HIS A 97 -8.241 13.539 2.190 1.00 0.00 C ATOM 1483 O HIS A 97 -8.446 12.504 1.542 1.00 0.00 O ATOM 1484 CB HIS A 97 -8.306 13.416 4.774 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.811 13.546 4.872 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -6.020 12.506 5.259 1.00 0.00 N flip ATOM 1487 CD2 HIS A 97 -6.004 14.657 4.735 1.00 0.00 C flip ATOM 1488 CE1 HIS A 97 -4.697 12.941 5.265 1.00 0.00 C flip ATOM 1489 NE2 HIS A 97 -4.743 14.257 4.989 1.00 0.00 N flip ATOM 0 H HIS A 97 -10.062 12.089 3.046 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.186 14.902 3.509 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.737 14.005 5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.555 12.373 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.322 15.656 4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.816 12.345 5.452 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.929 14.872 4.974 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.316 14.430 1.820 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.600 14.363 0.547 1.00 0.00 C ATOM 1499 C VAL A 98 -5.818 13.062 0.387 1.00 0.00 C ATOM 1500 O VAL A 98 -5.508 12.678 -0.735 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.669 15.581 0.389 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.401 15.467 1.244 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.257 15.812 -1.072 1.00 0.00 C ATOM 0 H VAL A 98 -7.043 15.223 2.401 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.348 14.382 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.254 16.432 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.781 16.351 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.677 15.391 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.843 14.578 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.602 16.681 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.730 14.934 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.146 15.986 -1.678 1.00 0.00 H new ATOM 1513 N SER A 99 -5.429 12.388 1.469 1.00 0.00 N ATOM 1514 CA SER A 99 -4.629 11.186 1.334 1.00 0.00 C ATOM 1515 C SER A 99 -5.461 10.061 0.701 1.00 0.00 C ATOM 1516 O SER A 99 -4.922 9.293 -0.094 1.00 0.00 O ATOM 1517 CB SER A 99 -3.996 10.881 2.693 1.00 0.00 C ATOM 1518 OG SER A 99 -4.895 10.392 3.656 1.00 0.00 O ATOM 0 H SER A 99 -5.653 12.652 2.428 1.00 0.00 H new ATOM 0 HA SER A 99 -3.799 11.312 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.199 10.150 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.531 11.790 3.076 1.00 0.00 H new ATOM 0 HG SER A 99 -5.532 11.097 3.896 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.775 10.022 0.953 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.701 9.142 0.258 1.00 0.00 C ATOM 1526 C GLY A 100 -7.889 9.589 -1.192 1.00 0.00 C ATOM 1527 O GLY A 100 -7.911 8.753 -2.089 1.00 0.00 O ATOM 0 H GLY A 100 -7.223 10.611 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.325 8.119 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.663 9.141 0.771 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.957 10.896 -1.467 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.109 11.412 -2.834 1.00 0.00 C ATOM 1533 C GLU A 101 -6.863 11.108 -3.676 1.00 0.00 C ATOM 1534 O GLU A 101 -6.921 10.940 -4.894 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.366 12.926 -2.820 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.562 13.307 -1.939 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.167 14.645 -2.349 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -10.911 14.663 -3.357 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -9.967 15.653 -1.631 1.00 0.00 O ATOM 0 H GLU A 101 -7.909 11.623 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.967 10.911 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.475 13.440 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.544 13.271 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.323 12.529 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.245 13.356 -0.897 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.714 11.022 -3.018 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.476 10.560 -3.601 1.00 0.00 C ATOM 1548 C GLN A 102 -4.565 9.058 -3.849 1.00 0.00 C ATOM 1549 O GLN A 102 -4.362 8.640 -4.984 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.305 10.986 -2.716 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.073 12.494 -2.871 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.043 13.040 -1.907 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -0.894 13.290 -2.258 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -2.431 13.258 -0.668 1.00 0.00 N ATOM 0 H GLN A 102 -5.623 11.281 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.299 11.018 -4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.515 10.744 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.405 10.438 -2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.753 12.703 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.017 13.018 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.389 13.046 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.774 13.639 0.013 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.948 8.241 -2.859 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.098 6.812 -3.098 1.00 0.00 C ATOM 1565 C LEU A 103 -6.138 6.520 -4.175 1.00 0.00 C ATOM 1566 O LEU A 103 -6.000 5.528 -4.878 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.433 6.047 -1.803 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.814 4.639 -1.771 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.333 4.569 -2.131 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.095 3.993 -0.408 1.00 0.00 C ATOM 0 H LEU A 103 -5.154 8.543 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.133 6.457 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.075 6.617 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.515 5.966 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.299 4.074 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.994 3.534 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.186 4.948 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.759 5.175 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.658 2.995 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.655 4.603 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.172 3.922 -0.254 1.00 0.00 H new ATOM 1582 N SER A 104 -7.146 7.373 -4.349 1.00 0.00 N ATOM 1583 CA SER A 104 -8.182 7.231 -5.360 1.00 0.00 C ATOM 1584 C SER A 104 -7.597 7.194 -6.771 1.00 0.00 C ATOM 1585 O SER A 104 -8.077 6.403 -7.586 1.00 0.00 O ATOM 1586 CB SER A 104 -9.201 8.368 -5.235 1.00 0.00 C ATOM 1587 OG SER A 104 -9.860 8.322 -3.983 1.00 0.00 O ATOM 0 H SER A 104 -7.264 8.205 -3.771 1.00 0.00 H new ATOM 0 HA SER A 104 -8.684 6.279 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.697 9.328 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.934 8.295 -6.039 1.00 0.00 H new ATOM 0 HG SER A 104 -9.226 8.547 -3.271 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.534 7.964 -7.028 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.748 7.966 -8.265 1.00 0.00 C ATOM 1595 C GLN A 105 -4.957 6.665 -8.450 1.00 0.00 C ATOM 1596 O GLN A 105 -4.265 6.495 -9.447 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.822 9.196 -8.258 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.631 10.494 -8.435 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.846 11.728 -8.008 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -4.103 12.322 -8.791 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.997 12.164 -6.769 1.00 0.00 N ATOM 0 H GLN A 105 -6.182 8.635 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.427 8.025 -9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.268 9.233 -7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.088 9.108 -9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.925 10.597 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.549 10.430 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.614 11.668 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.497 12.996 -6.457 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.059 5.735 -7.505 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.440 4.422 -7.489 1.00 0.00 C ATOM 1612 C LEU A 106 -5.489 3.385 -7.053 1.00 0.00 C ATOM 1613 O LEU A 106 -5.158 2.365 -6.448 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.236 4.429 -6.537 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.158 5.498 -6.801 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.328 5.639 -5.529 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.253 5.152 -7.990 1.00 0.00 C ATOM 0 H LEU A 106 -5.620 5.896 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.079 4.160 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.606 4.561 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.762 3.448 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.650 6.435 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.553 6.390 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.973 5.945 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.864 4.682 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.514 5.942 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.744 4.208 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.857 5.060 -8.893 1.00 0.00 H new ATOM 1629 N THR A 107 -6.774 3.641 -7.320 1.00 0.00 N ATOM 1630 CA THR A 107 -7.920 2.755 -7.068 1.00 0.00 C ATOM 1631 C THR A 107 -8.281 2.582 -5.575 1.00 0.00 C ATOM 1632 O THR A 107 -9.216 1.852 -5.246 1.00 0.00 O ATOM 1633 CB THR A 107 -7.776 1.420 -7.834 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.908 0.527 -7.181 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.251 1.580 -9.264 1.00 0.00 C ATOM 0 H THR A 107 -7.061 4.524 -7.743 1.00 0.00 H new ATOM 0 HA THR A 107 -8.793 3.264 -7.476 1.00 0.00 H new ATOM 0 HB THR A 107 -8.793 1.029 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.074 0.989 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.177 0.600 -9.736 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.936 2.207 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.266 2.046 -9.240 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.565 3.277 -4.687 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.710 3.339 -3.237 1.00 0.00 C ATOM 1645 C GLY A 108 -7.050 2.175 -2.488 1.00 0.00 C ATOM 1646 O GLY A 108 -7.337 1.989 -1.304 1.00 0.00 O ATOM 0 H GLY A 108 -6.794 3.867 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.281 4.275 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.771 3.360 -2.990 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.137 1.422 -3.119 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.309 0.426 -2.436 1.00 0.00 C ATOM 1652 C VAL A 109 -3.919 0.377 -3.093 1.00 0.00 C ATOM 1653 O VAL A 109 -3.820 0.358 -4.322 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.056 -0.930 -2.407 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.258 -1.561 -3.790 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.375 -1.941 -1.477 1.00 0.00 C ATOM 0 H VAL A 109 -5.954 1.489 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.137 0.697 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.044 -0.687 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.788 -2.507 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.842 -0.886 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.288 -1.739 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.932 -2.878 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.356 -2.121 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.352 -1.544 -0.462 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.840 0.361 -2.303 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.457 0.246 -2.766 1.00 0.00 C ATOM 1668 C ALA A 110 -0.565 -0.333 -1.657 1.00 0.00 C ATOM 1669 O ALA A 110 -1.056 -0.598 -0.564 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.965 1.621 -3.236 1.00 0.00 C ATOM 0 H ALA A 110 -2.911 0.430 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.406 -0.443 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.065 1.540 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.595 1.973 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.015 2.328 -2.408 1.00 0.00 H new ATOM 1676 N ALA A 111 0.732 -0.553 -1.903 1.00 0.00 N ATOM 1677 CA ALA A 111 1.684 -1.033 -0.903 1.00 0.00 C ATOM 1678 C ALA A 111 3.118 -0.764 -1.362 1.00 0.00 C ATOM 1679 O ALA A 111 3.419 -0.911 -2.549 1.00 0.00 O ATOM 1680 CB ALA A 111 1.510 -2.542 -0.661 1.00 0.00 C ATOM 0 H ALA A 111 1.153 -0.399 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 111 1.489 -0.497 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.229 -2.876 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.499 -2.739 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.679 -3.082 -1.593 1.00 0.00 H new ATOM 1686 N ILE A 112 3.994 -0.442 -0.412 1.00 0.00 N ATOM 1687 CA ILE A 112 5.436 -0.350 -0.599 1.00 0.00 C ATOM 1688 C ILE A 112 6.012 -1.758 -0.452 1.00 0.00 C ATOM 1689 O ILE A 112 5.542 -2.546 0.381 1.00 0.00 O ATOM 1690 CB ILE A 112 6.048 0.609 0.449 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.428 2.015 0.319 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.572 0.672 0.258 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.882 3.006 1.405 1.00 0.00 C ATOM 0 H ILE A 112 3.706 -0.231 0.543 1.00 0.00 H new ATOM 0 HA ILE A 112 5.673 0.048 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 112 5.829 0.234 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.682 2.423 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.342 1.926 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.004 1.348 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.996 -0.324 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.798 1.037 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.401 3.970 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.603 2.623 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.964 3.128 1.357 1.00 0.00 H new ATOM 1705 N LEU A 113 7.052 -2.059 -1.231 1.00 0.00 N ATOM 1706 CA LEU A 113 7.680 -3.368 -1.283 1.00 0.00 C ATOM 1707 C LEU A 113 9.131 -3.265 -0.828 1.00 0.00 C ATOM 1708 O LEU A 113 9.855 -2.349 -1.210 1.00 0.00 O ATOM 1709 CB LEU A 113 7.599 -3.949 -2.699 1.00 0.00 C ATOM 1710 CG LEU A 113 6.175 -3.926 -3.296 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.165 -3.944 -4.822 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.354 -5.100 -2.789 1.00 0.00 C ATOM 0 H LEU A 113 7.487 -1.380 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 113 7.147 -4.040 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.267 -3.387 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.960 -4.977 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 113 5.733 -2.985 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.135 -3.927 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.695 -3.070 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.657 -4.849 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.355 -5.061 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.838 -6.033 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.279 -5.049 -1.703 1.00 0.00 H new ATOM 1724 N ARG A 114 9.573 -4.249 -0.050 1.00 0.00 N ATOM 1725 CA ARG A 114 10.930 -4.356 0.479 1.00 0.00 C ATOM 1726 C ARG A 114 11.954 -4.618 -0.623 1.00 0.00 C ATOM 1727 O ARG A 114 13.142 -4.346 -0.439 1.00 0.00 O ATOM 1728 CB ARG A 114 10.976 -5.501 1.505 1.00 0.00 C ATOM 1729 CG ARG A 114 10.039 -5.286 2.702 1.00 0.00 C ATOM 1730 CD ARG A 114 9.955 -6.519 3.600 1.00 0.00 C ATOM 1731 NE ARG A 114 11.134 -6.651 4.467 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.505 -7.750 5.129 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.791 -8.862 5.013 1.00 0.00 N ATOM 1734 NH2 ARG A 114 12.603 -7.735 5.881 1.00 0.00 N ATOM 0 H ARG A 114 8.974 -5.022 0.240 1.00 0.00 H new ATOM 0 HA ARG A 114 11.188 -3.407 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.711 -6.434 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.998 -5.612 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.390 -4.436 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.042 -5.034 2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.058 -6.458 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 114 9.858 -7.412 2.982 1.00 0.00 H new ATOM 0 HE ARG A 114 11.724 -5.826 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.961 -8.876 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 114 11.072 -9.703 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.161 -6.884 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 114 12.886 -8.574 6.387 1.00 0.00 H new ATOM 1748 N PHE A 115 11.529 -5.190 -1.747 1.00 0.00 N ATOM 1749 CA PHE A 115 12.384 -5.599 -2.846 1.00 0.00 C ATOM 1750 C PHE A 115 11.581 -5.530 -4.148 1.00 0.00 C ATOM 1751 O PHE A 115 10.348 -5.539 -4.094 1.00 0.00 O ATOM 1752 CB PHE A 115 12.961 -6.994 -2.556 1.00 0.00 C ATOM 1753 CG PHE A 115 12.034 -8.043 -1.971 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.246 -8.857 -2.808 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.034 -8.265 -0.580 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.503 -9.910 -2.252 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.264 -9.300 -0.023 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.507 -10.130 -0.863 1.00 0.00 C ATOM 0 H PHE A 115 10.543 -5.386 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 115 13.236 -4.929 -2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.365 -7.388 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.801 -6.872 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.214 -8.672 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.630 -7.635 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.924 -10.556 -2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.255 -9.456 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.927 -10.938 -0.443 1.00 0.00 H new ATOM 1768 N PRO A 116 12.249 -5.410 -5.309 1.00 0.00 N ATOM 1769 CA PRO A 116 11.594 -5.259 -6.597 1.00 0.00 C ATOM 1770 C PRO A 116 10.959 -6.592 -6.973 1.00 0.00 C ATOM 1771 O PRO A 116 11.657 -7.604 -7.088 1.00 0.00 O ATOM 1772 CB PRO A 116 12.687 -4.802 -7.564 1.00 0.00 C ATOM 1773 CG PRO A 116 13.979 -5.346 -6.968 1.00 0.00 C ATOM 1774 CD PRO A 116 13.694 -5.465 -5.473 1.00 0.00 C ATOM 0 HA PRO A 116 10.787 -4.526 -6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.518 -5.193 -8.567 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.715 -3.715 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.239 -6.312 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.817 -4.676 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.092 -6.400 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.175 -4.656 -4.923 1.00 0.00 H new ATOM 1782 N VAL A 117 9.633 -6.616 -7.091 1.00 0.00 N ATOM 1783 CA VAL A 117 8.884 -7.851 -7.273 1.00 0.00 C ATOM 1784 C VAL A 117 9.057 -8.308 -8.725 1.00 0.00 C ATOM 1785 O VAL A 117 8.618 -7.592 -9.633 1.00 0.00 O ATOM 1786 CB VAL A 117 7.405 -7.634 -6.921 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.562 -8.909 -7.094 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.255 -7.167 -5.474 1.00 0.00 C ATOM 0 H VAL A 117 9.051 -5.779 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 117 9.261 -8.627 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 117 7.043 -6.874 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.525 -8.698 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.613 -9.241 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.949 -9.692 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.199 -7.020 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.669 -7.920 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.790 -6.227 -5.338 1.00 0.00 H new ATOM 1798 N PRO A 118 9.653 -9.487 -8.979 1.00 0.00 N ATOM 1799 CA PRO A 118 9.774 -10.015 -10.321 1.00 0.00 C ATOM 1800 C PRO A 118 8.370 -10.367 -10.825 1.00 0.00 C ATOM 1801 O PRO A 118 7.615 -11.104 -10.173 1.00 0.00 O ATOM 1802 CB PRO A 118 10.735 -11.199 -10.216 1.00 0.00 C ATOM 1803 CG PRO A 118 10.553 -11.703 -8.790 1.00 0.00 C ATOM 1804 CD PRO A 118 10.195 -10.433 -8.016 1.00 0.00 C ATOM 0 HA PRO A 118 10.180 -9.315 -11.051 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.495 -11.973 -10.945 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.765 -10.894 -10.402 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.763 -12.451 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.463 -12.166 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 118 9.465 -10.650 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 118 11.075 -10.020 -7.524 1.00 0.00 H new ATOM 1812 N SER A 119 7.997 -9.738 -11.932 1.00 0.00 N ATOM 1813 CA SER A 119 6.700 -9.746 -12.583 1.00 0.00 C ATOM 1814 C SER A 119 6.954 -9.165 -13.987 1.00 0.00 C ATOM 1815 O SER A 119 8.095 -9.173 -14.458 1.00 0.00 O ATOM 1816 CB SER A 119 5.715 -8.937 -11.714 1.00 0.00 C ATOM 1817 OG SER A 119 4.380 -9.007 -12.175 1.00 0.00 O ATOM 0 H SER A 119 8.660 -9.155 -12.442 1.00 0.00 H new ATOM 0 HA SER A 119 6.244 -10.730 -12.692 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.758 -9.304 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.031 -7.894 -11.693 1.00 0.00 H new ATOM 0 HG SER A 119 3.802 -8.478 -11.586 1.00 0.00 H new ATOM 1823 N GLY A 120 5.932 -8.689 -14.694 1.00 0.00 N ATOM 1824 CA GLY A 120 6.097 -8.016 -15.977 1.00 0.00 C ATOM 1825 C GLY A 120 4.921 -7.084 -16.257 1.00 0.00 C ATOM 1826 O GLY A 120 4.009 -6.988 -15.429 1.00 0.00 O ATOM 0 H GLY A 120 4.961 -8.760 -14.390 1.00 0.00 H new ATOM 0 HA2 GLY A 120 7.026 -7.446 -15.977 1.00 0.00 H new ATOM 0 HA3 GLY A 120 6.177 -8.756 -16.773 1.00 0.00 H new ATOM 1830 N PRO A 121 4.924 -6.385 -17.403 1.00 0.00 N ATOM 1831 CA PRO A 121 3.809 -5.548 -17.821 1.00 0.00 C ATOM 1832 C PRO A 121 2.614 -6.437 -18.190 1.00 0.00 C ATOM 1833 O PRO A 121 2.730 -7.322 -19.049 1.00 0.00 O ATOM 1834 CB PRO A 121 4.337 -4.728 -19.005 1.00 0.00 C ATOM 1835 CG PRO A 121 5.449 -5.596 -19.595 1.00 0.00 C ATOM 1836 CD PRO A 121 6.007 -6.336 -18.379 1.00 0.00 C ATOM 0 HA PRO A 121 3.451 -4.879 -17.038 1.00 0.00 H new ATOM 0 HB2 PRO A 121 3.553 -4.534 -19.737 1.00 0.00 H new ATOM 0 HB3 PRO A 121 4.717 -3.759 -18.681 1.00 0.00 H new ATOM 0 HG2 PRO A 121 5.064 -6.288 -20.344 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.214 -4.992 -20.083 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.333 -7.340 -18.650 1.00 0.00 H new ATOM 0 HD3 PRO A 121 6.875 -5.818 -17.972 1.00 0.00 H new ATOM 1844 N SER A 122 1.473 -6.222 -17.530 1.00 0.00 N ATOM 1845 CA SER A 122 0.205 -6.894 -17.813 1.00 0.00 C ATOM 1846 C SER A 122 -1.013 -5.960 -17.734 1.00 0.00 C ATOM 1847 O SER A 122 -2.065 -6.305 -18.272 1.00 0.00 O ATOM 1848 CB SER A 122 0.024 -8.075 -16.848 1.00 0.00 C ATOM 1849 OG SER A 122 0.654 -9.245 -17.331 1.00 0.00 O ATOM 0 H SER A 122 1.406 -5.555 -16.761 1.00 0.00 H new ATOM 0 HA SER A 122 0.256 -7.246 -18.843 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.437 -7.815 -15.873 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.039 -8.267 -16.703 1.00 0.00 H new ATOM 0 HG SER A 122 0.521 -9.976 -16.692 1.00 0.00 H new ATOM 1855 N SER A 123 -0.917 -4.796 -17.089 1.00 0.00 N ATOM 1856 CA SER A 123 -2.008 -3.824 -17.025 1.00 0.00 C ATOM 1857 C SER A 123 -1.946 -2.809 -18.168 1.00 0.00 C ATOM 1858 O SER A 123 -2.986 -2.286 -18.578 1.00 0.00 O ATOM 1859 CB SER A 123 -1.982 -3.122 -15.660 1.00 0.00 C ATOM 1860 OG SER A 123 -0.672 -2.725 -15.298 1.00 0.00 O ATOM 0 H SER A 123 -0.076 -4.500 -16.594 1.00 0.00 H new ATOM 0 HA SER A 123 -2.951 -4.359 -17.140 1.00 0.00 H new ATOM 0 HB2 SER A 123 -2.632 -2.247 -15.689 1.00 0.00 H new ATOM 0 HB3 SER A 123 -2.382 -3.792 -14.899 1.00 0.00 H new ATOM 0 HG SER A 123 -0.486 -1.836 -15.666 1.00 0.00 H new ATOM 1866 N GLY A 124 -0.739 -2.521 -18.662 1.00 0.00 N ATOM 1867 CA GLY A 124 -0.433 -1.184 -19.133 1.00 0.00 C ATOM 1868 C GLY A 124 -0.603 -0.238 -17.960 1.00 0.00 C ATOM 1869 O GLY A 124 -0.189 -0.621 -16.840 1.00 0.00 O ATOM 0 H GLY A 124 0.027 -3.190 -18.742 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.585 -1.137 -19.519 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -1.097 -0.904 -19.951 1.00 0.00 H new TER 1873 GLY A 124