USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 882 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 125 LYS NZ :NH3+ -171:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 141 THR OG1 : rot -140:sc= 1.02 USER MOD Set 2.1: A 84 SER OG : rot 61:sc= 1.92 USER MOD Set 2.2: A 109 TYR OH : rot -17:sc= -2.56 USER MOD Set 2.3: A 110 ASN : amide:sc= -7.85! C(o=-8.5!,f=-8.2!) USER MOD Set 3.1: A 74 MET CE :methyl 135:sc= -0.304 (180deg=-0.622) USER MOD Set 3.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 HIS :FLIP no HD1:sc= -37.4! C(o=-39!,f=-38!) USER MOD Set 4.2: A 45 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 46 SER OG : rot -160:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -2.84! C(o=-4.9!,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= -1.78 (180deg=-1.94!) USER MOD Single : A 58 ASN :FLIP amide:sc= 1.11 F(o=-0.022,f=1.1) USER MOD Single : A 65 ASN : amide:sc= -2.13 X(o=-2.1,f=-2.3) USER MOD Single : A 75 MET CE :methyl -114:sc= -0.268 (180deg=-1.06) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.322 F(o=-1.8!,f=-0.32) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -2.93 K(o=-2.9,f=-4.1!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= -0.0314 (180deg=-0.438) USER MOD Single : A 127 LYS NZ :NH3+ -154:sc= -0.158 (180deg=-1.03) USER MOD Single : A 130 LYS NZ :NH3+ 164:sc= -0.0179 (180deg=-0.259) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 71:sc= 0.26 USER MOD Single : A 137 SER OG : rot -111:sc= 1.14 USER MOD Single : A 139 HIS : no HD1:sc= -5.59! C(o=-5.6!,f=-5.3!) USER MOD Single : A 140 CYS SG : rot 68:sc= -0.407 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 148 LYS NZ :NH3+ 148:sc= -0.267 (180deg=-1.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 3.351 10.439 4.730 1.00 0.00 N ATOM 2 CA PHE A 40 2.665 9.142 4.704 1.00 0.00 C ATOM 3 C PHE A 40 1.392 9.072 3.816 1.00 0.00 C ATOM 4 O PHE A 40 0.286 8.793 4.238 1.00 0.00 O ATOM 5 CB PHE A 40 2.396 8.835 6.115 1.00 0.00 C ATOM 6 CG PHE A 40 2.523 7.348 6.330 1.00 0.00 C ATOM 7 CD1 PHE A 40 3.785 6.844 6.603 1.00 0.00 C ATOM 8 CD2 PHE A 40 1.426 6.537 6.251 1.00 0.00 C ATOM 9 CE1 PHE A 40 3.986 5.464 6.814 1.00 0.00 C ATOM 10 CE2 PHE A 40 1.564 5.197 6.448 1.00 0.00 C ATOM 11 CZ PHE A 40 2.838 4.653 6.733 1.00 0.00 C ATOM 0 HA PHE A 40 3.298 8.397 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.097 9.369 6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.396 9.170 6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.627 7.518 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.455 6.957 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.963 5.054 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.701 4.550 6.387 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.933 3.589 6.892 1.00 0.00 H new ATOM 21 N ARG A 41 1.666 9.350 2.568 1.00 0.00 N ATOM 22 CA ARG A 41 0.707 9.372 1.425 1.00 0.00 C ATOM 23 C ARG A 41 0.971 8.198 0.500 1.00 0.00 C ATOM 24 O ARG A 41 1.466 7.184 0.906 1.00 0.00 O ATOM 25 CB ARG A 41 0.911 10.708 0.744 1.00 0.00 C ATOM 26 CG ARG A 41 0.578 11.816 1.747 1.00 0.00 C ATOM 27 CD ARG A 41 0.886 13.167 1.112 1.00 0.00 C ATOM 28 NE ARG A 41 0.620 14.215 2.136 1.00 0.00 N ATOM 29 CZ ARG A 41 1.613 14.941 2.573 1.00 0.00 C ATOM 30 NH1 ARG A 41 2.600 14.349 3.188 1.00 0.00 N ATOM 31 NH2 ARG A 41 1.587 16.232 2.382 1.00 0.00 N ATOM 0 H ARG A 41 2.614 9.585 2.274 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.330 9.269 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.941 10.805 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.272 10.787 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.473 11.764 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.161 11.687 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.924 13.208 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.265 13.326 0.230 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.325 14.363 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.586 13.338 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.386 14.898 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.798 16.660 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.355 16.813 2.718 1.00 0.00 H new ATOM 45 N ARG A 42 0.657 8.340 -0.737 1.00 0.00 N ATOM 46 CA ARG A 42 0.894 7.193 -1.698 1.00 0.00 C ATOM 47 C ARG A 42 2.335 7.064 -2.171 1.00 0.00 C ATOM 48 O ARG A 42 2.896 7.949 -2.788 1.00 0.00 O ATOM 49 CB ARG A 42 0.092 7.374 -2.909 1.00 0.00 C ATOM 50 CG ARG A 42 0.211 8.840 -3.280 1.00 0.00 C ATOM 51 CD ARG A 42 0.436 8.936 -4.774 1.00 0.00 C ATOM 52 NE ARG A 42 0.305 10.359 -5.209 1.00 0.00 N ATOM 53 CZ ARG A 42 0.076 11.294 -4.326 1.00 0.00 C ATOM 54 NH1 ARG A 42 1.077 11.773 -3.640 1.00 0.00 N ATOM 55 NH2 ARG A 42 -1.146 11.721 -4.156 1.00 0.00 N ATOM 0 H ARG A 42 0.249 9.180 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 42 0.622 6.301 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.456 6.738 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.948 7.100 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.694 9.378 -2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.038 9.302 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.426 8.557 -5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.288 8.315 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 42 0.394 10.601 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.020 11.417 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.917 12.503 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.906 11.325 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.341 12.451 -3.470 1.00 0.00 H new ATOM 69 N ASP A 43 2.853 5.899 -1.832 1.00 0.00 N ATOM 70 CA ASP A 43 4.262 5.505 -2.146 1.00 0.00 C ATOM 71 C ASP A 43 4.731 6.710 -1.379 1.00 0.00 C ATOM 72 O ASP A 43 5.628 7.430 -1.771 1.00 0.00 O ATOM 73 CB ASP A 43 4.529 5.620 -3.652 1.00 0.00 C ATOM 74 CG ASP A 43 5.910 5.042 -3.962 1.00 0.00 C ATOM 75 OD1 ASP A 43 6.867 5.580 -3.426 1.00 0.00 O ATOM 76 OD2 ASP A 43 5.918 4.092 -4.726 1.00 0.00 O ATOM 0 H ASP A 43 2.330 5.181 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 43 4.658 4.515 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.763 5.083 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.480 6.663 -3.964 1.00 0.00 H new ATOM 81 N HIS A 44 4.034 6.835 -0.272 1.00 0.00 N ATOM 82 CA HIS A 44 4.259 7.951 0.642 1.00 0.00 C ATOM 83 C HIS A 44 5.483 8.786 0.505 1.00 0.00 C ATOM 84 O HIS A 44 5.546 9.854 -0.069 1.00 0.00 O ATOM 85 CB HIS A 44 4.250 7.642 2.167 1.00 0.00 C ATOM 86 CG HIS A 44 3.810 6.511 2.926 1.00 0.00 C ATOM 87 ND1 HIS A 44 2.589 5.964 3.233 1.00 0.00 N flip ATOM 88 CD2 HIS A 44 4.716 5.852 3.528 1.00 0.00 C flip ATOM 89 CE1 HIS A 44 2.837 4.955 4.047 1.00 0.00 C flip ATOM 90 NE2 HIS A 44 4.148 4.938 4.190 1.00 0.00 N flip ATOM 0 H HIS A 44 3.307 6.184 0.024 1.00 0.00 H new ATOM 0 HA HIS A 44 3.376 8.486 0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.292 7.765 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 44 3.696 8.476 2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.779 6.040 3.482 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.120 4.286 4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 44 4.647 4.263 4.770 1.00 0.00 H new ATOM 98 N THR A 45 6.405 8.160 1.097 1.00 0.00 N ATOM 99 CA THR A 45 7.797 8.645 1.196 1.00 0.00 C ATOM 100 C THR A 45 8.816 7.624 0.823 1.00 0.00 C ATOM 101 O THR A 45 8.508 6.491 0.510 1.00 0.00 O ATOM 102 CB THR A 45 8.060 9.082 2.594 1.00 0.00 C ATOM 103 OG1 THR A 45 7.454 8.094 3.417 1.00 0.00 O ATOM 104 CG2 THR A 45 7.339 10.359 2.806 1.00 0.00 C ATOM 0 H THR A 45 6.256 7.262 1.557 1.00 0.00 H new ATOM 0 HA THR A 45 7.890 9.467 0.486 1.00 0.00 H new ATOM 0 HB THR A 45 9.122 9.206 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.593 8.323 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.510 10.709 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.704 11.105 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.271 10.204 2.651 1.00 0.00 H new ATOM 112 N SER A 46 10.010 8.139 0.880 1.00 0.00 N ATOM 113 CA SER A 46 11.216 7.338 0.571 1.00 0.00 C ATOM 114 C SER A 46 11.396 7.075 -0.903 1.00 0.00 C ATOM 115 O SER A 46 11.091 6.003 -1.371 1.00 0.00 O ATOM 116 CB SER A 46 11.146 6.007 1.287 1.00 0.00 C ATOM 117 OG SER A 46 10.907 6.346 2.644 1.00 0.00 O ATOM 0 H SER A 46 10.201 9.108 1.135 1.00 0.00 H new ATOM 0 HA SER A 46 12.068 7.927 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.347 5.383 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.074 5.447 1.175 1.00 0.00 H new ATOM 0 HG SER A 46 11.158 5.593 3.218 1.00 0.00 H new ATOM 123 N ASP A 47 11.880 8.050 -1.603 1.00 0.00 N ATOM 124 CA ASP A 47 12.093 7.861 -3.066 1.00 0.00 C ATOM 125 C ASP A 47 13.584 7.593 -3.200 1.00 0.00 C ATOM 126 O ASP A 47 14.032 6.796 -3.999 1.00 0.00 O ATOM 127 CB ASP A 47 11.674 9.137 -3.767 1.00 0.00 C ATOM 128 CG ASP A 47 10.238 9.416 -3.322 1.00 0.00 C ATOM 129 OD1 ASP A 47 9.415 8.547 -3.566 1.00 0.00 O ATOM 130 OD2 ASP A 47 10.049 10.483 -2.763 1.00 0.00 O ATOM 0 H ASP A 47 12.138 8.966 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 47 11.518 7.048 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.332 9.963 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.731 9.023 -4.850 1.00 0.00 H new ATOM 135 N GLN A 48 14.324 8.295 -2.394 1.00 0.00 N ATOM 136 CA GLN A 48 15.754 8.200 -2.338 1.00 0.00 C ATOM 137 C GLN A 48 16.055 6.749 -1.946 1.00 0.00 C ATOM 138 O GLN A 48 17.007 6.119 -2.372 1.00 0.00 O ATOM 139 CB GLN A 48 16.113 9.263 -1.335 1.00 0.00 C ATOM 140 CG GLN A 48 17.274 8.795 -0.573 1.00 0.00 C ATOM 141 CD GLN A 48 17.811 9.921 0.310 1.00 0.00 C ATOM 142 OE1 GLN A 48 17.128 10.424 1.181 1.00 0.00 O ATOM 143 NE2 GLN A 48 19.029 10.346 0.118 1.00 0.00 N ATOM 0 H GLN A 48 13.937 8.972 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 48 16.331 8.379 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.342 10.201 -1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.273 9.457 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.994 7.941 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 48 18.053 8.454 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.606 9.927 -0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.404 11.097 0.697 1.00 0.00 H new ATOM 152 N LEU A 49 15.199 6.225 -1.117 1.00 0.00 N ATOM 153 CA LEU A 49 15.419 4.860 -0.696 1.00 0.00 C ATOM 154 C LEU A 49 15.035 4.037 -1.901 1.00 0.00 C ATOM 155 O LEU A 49 15.753 3.134 -2.197 1.00 0.00 O ATOM 156 CB LEU A 49 14.553 4.756 0.550 1.00 0.00 C ATOM 157 CG LEU A 49 14.028 3.381 0.963 1.00 0.00 C ATOM 158 CD1 LEU A 49 12.819 3.147 0.142 1.00 0.00 C ATOM 159 CD2 LEU A 49 14.845 2.246 0.476 1.00 0.00 C ATOM 0 H LEU A 49 14.377 6.690 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 49 16.418 4.522 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.126 5.156 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.693 5.411 0.411 1.00 0.00 H new ATOM 0 HG LEU A 49 13.954 3.405 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.393 2.175 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.085 3.927 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.087 3.166 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.403 1.308 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.876 2.261 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.858 2.332 0.869 1.00 0.00 H new ATOM 171 N HIS A 50 13.976 4.305 -2.602 1.00 0.00 N ATOM 172 CA HIS A 50 13.624 3.474 -3.780 1.00 0.00 C ATOM 173 C HIS A 50 14.841 3.263 -4.635 1.00 0.00 C ATOM 174 O HIS A 50 15.035 2.215 -5.218 1.00 0.00 O ATOM 175 CB HIS A 50 12.536 4.137 -4.609 1.00 0.00 C ATOM 176 CG HIS A 50 11.205 3.862 -3.965 1.00 0.00 C ATOM 177 ND1 HIS A 50 10.951 3.696 -2.647 1.00 0.00 N flip ATOM 178 CD2 HIS A 50 10.061 3.725 -4.546 1.00 0.00 C flip ATOM 179 CE1 HIS A 50 9.671 3.460 -2.440 1.00 0.00 C flip ATOM 180 NE2 HIS A 50 9.162 3.488 -3.646 1.00 0.00 N flip ATOM 0 H HIS A 50 13.332 5.072 -2.408 1.00 0.00 H new ATOM 0 HA HIS A 50 13.252 2.515 -3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.711 5.211 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.550 3.751 -5.628 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.883 3.796 -5.609 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.164 3.286 -1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.174 3.340 -3.852 1.00 0.00 H new ATOM 188 N ALA A 51 15.623 4.304 -4.674 1.00 0.00 N ATOM 189 CA ALA A 51 16.844 4.256 -5.462 1.00 0.00 C ATOM 190 C ALA A 51 17.613 3.089 -4.857 1.00 0.00 C ATOM 191 O ALA A 51 18.028 2.175 -5.541 1.00 0.00 O ATOM 192 CB ALA A 51 17.580 5.558 -5.296 1.00 0.00 C ATOM 0 H ALA A 51 15.452 5.183 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 51 16.687 4.121 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.498 5.534 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.950 6.378 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.825 5.706 -4.244 1.00 0.00 H new ATOM 198 N GLU A 52 17.777 3.172 -3.561 1.00 0.00 N ATOM 199 CA GLU A 52 18.496 2.098 -2.845 1.00 0.00 C ATOM 200 C GLU A 52 17.811 0.738 -3.110 1.00 0.00 C ATOM 201 O GLU A 52 18.427 -0.160 -3.641 1.00 0.00 O ATOM 202 CB GLU A 52 18.496 2.404 -1.350 1.00 0.00 C ATOM 203 CG GLU A 52 19.215 1.265 -0.622 1.00 0.00 C ATOM 204 CD GLU A 52 20.593 1.067 -1.252 1.00 0.00 C ATOM 205 OE1 GLU A 52 21.385 1.986 -1.121 1.00 0.00 O ATOM 206 OE2 GLU A 52 20.773 0.008 -1.832 1.00 0.00 O ATOM 0 H GLU A 52 17.442 3.938 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 52 19.524 2.045 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.997 3.353 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.474 2.503 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.315 1.499 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.633 0.346 -0.692 1.00 0.00 H new ATOM 213 N PHE A 53 16.564 0.674 -2.697 1.00 0.00 N ATOM 214 CA PHE A 53 15.585 -0.444 -2.786 1.00 0.00 C ATOM 215 C PHE A 53 15.830 -1.277 -3.981 1.00 0.00 C ATOM 216 O PHE A 53 15.708 -2.486 -4.009 1.00 0.00 O ATOM 217 CB PHE A 53 14.232 0.134 -2.838 1.00 0.00 C ATOM 218 CG PHE A 53 13.306 -0.660 -2.001 1.00 0.00 C ATOM 219 CD1 PHE A 53 13.394 -0.522 -0.671 1.00 0.00 C ATOM 220 CD2 PHE A 53 12.414 -1.531 -2.513 1.00 0.00 C ATOM 221 CE1 PHE A 53 12.650 -1.217 0.175 1.00 0.00 C ATOM 222 CE2 PHE A 53 11.635 -2.267 -1.707 1.00 0.00 C ATOM 223 CZ PHE A 53 11.777 -2.096 -0.318 1.00 0.00 C ATOM 0 H PHE A 53 16.143 1.481 -2.237 1.00 0.00 H new ATOM 0 HA PHE A 53 15.691 -1.089 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.256 1.166 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.876 0.154 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.103 0.188 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.326 -1.637 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.748 -1.075 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.921 -2.969 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.172 -2.683 0.357 1.00 0.00 H new ATOM 233 N ASP A 54 16.178 -0.505 -4.952 1.00 0.00 N ATOM 234 CA ASP A 54 16.482 -1.101 -6.275 1.00 0.00 C ATOM 235 C ASP A 54 17.917 -1.678 -6.291 1.00 0.00 C ATOM 236 O ASP A 54 18.603 -1.651 -7.294 1.00 0.00 O ATOM 237 CB ASP A 54 16.315 0.004 -7.277 1.00 0.00 C ATOM 238 CG ASP A 54 16.383 -0.553 -8.696 1.00 0.00 C ATOM 239 OD1 ASP A 54 15.537 -1.383 -8.985 1.00 0.00 O ATOM 240 OD2 ASP A 54 17.275 -0.115 -9.403 1.00 0.00 O ATOM 0 H ASP A 54 16.267 0.509 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 54 15.817 -1.933 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.359 0.504 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.094 0.753 -7.135 1.00 0.00 H new ATOM 245 N GLY A 55 18.329 -2.187 -5.157 1.00 0.00 N ATOM 246 CA GLY A 55 19.681 -2.789 -4.997 1.00 0.00 C ATOM 247 C GLY A 55 19.547 -3.983 -4.046 1.00 0.00 C ATOM 248 O GLY A 55 19.309 -5.089 -4.487 1.00 0.00 O ATOM 0 H GLY A 55 17.762 -2.209 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 55 20.074 -3.110 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.381 -2.056 -4.596 1.00 0.00 H new ATOM 252 N LYS A 56 19.716 -3.700 -2.775 1.00 0.00 N ATOM 253 CA LYS A 56 19.621 -4.709 -1.677 1.00 0.00 C ATOM 254 C LYS A 56 18.703 -5.916 -1.767 1.00 0.00 C ATOM 255 O LYS A 56 17.890 -6.109 -2.647 1.00 0.00 O ATOM 256 CB LYS A 56 19.267 -3.987 -0.402 1.00 0.00 C ATOM 257 CG LYS A 56 20.390 -3.058 -0.112 1.00 0.00 C ATOM 258 CD LYS A 56 20.354 -2.717 1.382 1.00 0.00 C ATOM 259 CE LYS A 56 21.537 -1.814 1.734 1.00 0.00 C ATOM 260 NZ LYS A 56 21.406 -0.509 1.030 1.00 0.00 N ATOM 0 H LYS A 56 19.927 -2.759 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 56 20.608 -5.167 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.331 -3.440 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 56 19.127 -4.693 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.342 -3.519 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.299 -2.152 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.417 -2.217 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.393 -3.631 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.575 -1.654 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.472 -2.298 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.195 0.112 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 21.425 -0.666 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.506 -0.060 1.295 1.00 0.00 H new ATOM 274 N GLU A 57 18.910 -6.703 -0.752 1.00 0.00 N ATOM 275 CA GLU A 57 18.133 -7.964 -0.604 1.00 0.00 C ATOM 276 C GLU A 57 16.872 -7.762 0.233 1.00 0.00 C ATOM 277 O GLU A 57 16.894 -7.057 1.212 1.00 0.00 O ATOM 278 CB GLU A 57 18.985 -8.961 0.041 1.00 0.00 C ATOM 279 CG GLU A 57 20.176 -9.310 -0.851 1.00 0.00 C ATOM 280 CD GLU A 57 21.068 -10.292 -0.091 1.00 0.00 C ATOM 281 OE1 GLU A 57 21.507 -9.897 0.976 1.00 0.00 O ATOM 282 OE2 GLU A 57 21.256 -11.373 -0.623 1.00 0.00 O ATOM 0 H GLU A 57 19.589 -6.526 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 57 17.822 -8.295 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 57 19.340 -8.579 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.406 -9.860 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.834 -9.752 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.734 -8.410 -1.109 1.00 0.00 H new ATOM 289 N ASN A 58 15.815 -8.393 -0.190 1.00 0.00 N ATOM 290 CA ASN A 58 14.491 -8.340 0.466 1.00 0.00 C ATOM 291 C ASN A 58 14.491 -8.196 1.979 1.00 0.00 C ATOM 292 O ASN A 58 13.985 -7.289 2.600 1.00 0.00 O ATOM 293 CB ASN A 58 13.805 -9.571 0.105 1.00 0.00 C ATOM 294 CG ASN A 58 13.266 -9.476 -1.325 1.00 0.00 C ATOM 295 OD1 ASN A 58 13.739 -10.290 -2.229 1.00 0.00 O flip ATOM 296 ND2 ASN A 58 12.415 -8.664 -1.630 1.00 0.00 N flip ATOM 0 H ASN A 58 15.825 -8.982 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 58 14.002 -7.431 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.490 -10.415 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.985 -9.756 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.043 -8.026 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.073 -8.620 -2.590 1.00 0.00 H new ATOM 303 N GLU A 59 15.117 -9.221 2.441 1.00 0.00 N ATOM 304 CA GLU A 59 15.411 -9.600 3.831 1.00 0.00 C ATOM 305 C GLU A 59 15.594 -8.404 4.717 1.00 0.00 C ATOM 306 O GLU A 59 15.066 -8.186 5.788 1.00 0.00 O ATOM 307 CB GLU A 59 16.639 -10.368 3.717 1.00 0.00 C ATOM 308 CG GLU A 59 16.900 -11.336 4.877 1.00 0.00 C ATOM 309 CD GLU A 59 16.057 -12.604 4.707 1.00 0.00 C ATOM 310 OE1 GLU A 59 14.848 -12.501 4.836 1.00 0.00 O ATOM 311 OE2 GLU A 59 16.684 -13.619 4.452 1.00 0.00 O ATOM 0 H GLU A 59 15.492 -9.916 1.796 1.00 0.00 H new ATOM 0 HA GLU A 59 14.596 -10.159 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.611 -10.936 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.478 -9.676 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.958 -11.596 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.658 -10.854 5.824 1.00 0.00 H new ATOM 318 N GLU A 60 16.441 -7.704 4.054 1.00 0.00 N ATOM 319 CA GLU A 60 17.025 -6.448 4.398 1.00 0.00 C ATOM 320 C GLU A 60 16.083 -5.294 4.151 1.00 0.00 C ATOM 321 O GLU A 60 15.830 -4.509 5.034 1.00 0.00 O ATOM 322 CB GLU A 60 18.249 -6.445 3.568 1.00 0.00 C ATOM 323 CG GLU A 60 19.424 -6.243 4.432 1.00 0.00 C ATOM 324 CD GLU A 60 20.682 -6.160 3.562 1.00 0.00 C ATOM 325 OE1 GLU A 60 20.877 -7.094 2.798 1.00 0.00 O ATOM 326 OE2 GLU A 60 21.373 -5.168 3.713 1.00 0.00 O ATOM 0 H GLU A 60 16.784 -8.032 3.151 1.00 0.00 H new ATOM 0 HA GLU A 60 17.250 -6.323 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.338 -7.388 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.193 -5.654 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.309 -5.329 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.513 -7.064 5.143 1.00 0.00 H new ATOM 333 N LEU A 61 15.592 -5.234 2.949 1.00 0.00 N ATOM 334 CA LEU A 61 14.660 -4.195 2.504 1.00 0.00 C ATOM 335 C LEU A 61 13.560 -3.928 3.488 1.00 0.00 C ATOM 336 O LEU A 61 12.961 -2.878 3.589 1.00 0.00 O ATOM 337 CB LEU A 61 14.024 -4.563 1.146 1.00 0.00 C ATOM 338 CG LEU A 61 14.720 -3.829 -0.025 1.00 0.00 C ATOM 339 CD1 LEU A 61 15.186 -2.457 0.459 1.00 0.00 C ATOM 340 CD2 LEU A 61 15.949 -4.622 -0.341 1.00 0.00 C ATOM 0 H LEU A 61 15.822 -5.912 2.222 1.00 0.00 H new ATOM 0 HA LEU A 61 15.259 -3.289 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.090 -5.640 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.964 -4.307 1.158 1.00 0.00 H new ATOM 0 HG LEU A 61 14.050 -3.724 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.678 -1.931 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.326 -1.879 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.887 -2.581 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.485 -4.150 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.594 -4.660 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.665 -5.635 -0.626 1.00 0.00 H new ATOM 352 N GLU A 62 13.365 -4.997 4.168 1.00 0.00 N ATOM 353 CA GLU A 62 12.406 -5.198 5.198 1.00 0.00 C ATOM 354 C GLU A 62 12.780 -4.591 6.536 1.00 0.00 C ATOM 355 O GLU A 62 12.020 -3.947 7.225 1.00 0.00 O ATOM 356 CB GLU A 62 12.334 -6.623 5.228 1.00 0.00 C ATOM 357 CG GLU A 62 11.395 -7.108 4.193 1.00 0.00 C ATOM 358 CD GLU A 62 11.464 -8.636 4.149 1.00 0.00 C ATOM 359 OE1 GLU A 62 11.209 -9.217 5.190 1.00 0.00 O ATOM 360 OE2 GLU A 62 11.771 -9.131 3.078 1.00 0.00 O ATOM 0 H GLU A 62 13.924 -5.834 4.004 1.00 0.00 H new ATOM 0 HA GLU A 62 11.456 -4.700 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.323 -7.048 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.006 -6.957 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.380 -6.781 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.655 -6.689 3.221 1.00 0.00 H new ATOM 367 N ALA A 63 13.998 -4.875 6.842 1.00 0.00 N ATOM 368 CA ALA A 63 14.639 -4.435 8.059 1.00 0.00 C ATOM 369 C ALA A 63 14.570 -2.932 8.006 1.00 0.00 C ATOM 370 O ALA A 63 14.204 -2.286 8.966 1.00 0.00 O ATOM 371 CB ALA A 63 16.067 -4.954 8.051 1.00 0.00 C ATOM 0 H ALA A 63 14.604 -5.436 6.243 1.00 0.00 H new ATOM 0 HA ALA A 63 14.173 -4.800 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.575 -4.635 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.058 -6.043 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.594 -4.557 7.183 1.00 0.00 H new ATOM 377 N LEU A 64 14.927 -2.418 6.856 1.00 0.00 N ATOM 378 CA LEU A 64 14.894 -0.965 6.696 1.00 0.00 C ATOM 379 C LEU A 64 13.624 -0.258 6.396 1.00 0.00 C ATOM 380 O LEU A 64 13.384 0.897 6.682 1.00 0.00 O ATOM 381 CB LEU A 64 15.877 -0.618 5.669 1.00 0.00 C ATOM 382 CG LEU A 64 15.473 -1.237 4.349 1.00 0.00 C ATOM 383 CD1 LEU A 64 14.820 -0.234 3.345 1.00 0.00 C ATOM 384 CD2 LEU A 64 16.751 -1.885 3.977 1.00 0.00 C ATOM 0 H LEU A 64 15.234 -2.948 6.040 1.00 0.00 H new ATOM 0 HA LEU A 64 15.099 -0.609 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.945 0.465 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.865 -0.974 5.962 1.00 0.00 H new ATOM 0 HG LEU A 64 14.647 -1.948 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.560 -0.758 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.919 0.190 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.525 0.567 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.636 -2.394 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.532 -1.129 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.028 -2.610 4.743 1.00 0.00 H new ATOM 396 N ASN A 65 12.897 -1.106 5.795 1.00 0.00 N ATOM 397 CA ASN A 65 11.535 -0.831 5.274 1.00 0.00 C ATOM 398 C ASN A 65 10.736 0.387 5.742 1.00 0.00 C ATOM 399 O ASN A 65 10.770 0.920 6.834 1.00 0.00 O ATOM 400 CB ASN A 65 10.605 -1.975 5.540 1.00 0.00 C ATOM 401 CG ASN A 65 10.090 -1.863 6.980 1.00 0.00 C ATOM 402 OD1 ASN A 65 10.845 -1.752 7.927 1.00 0.00 O ATOM 403 ND2 ASN A 65 8.802 -1.885 7.185 1.00 0.00 N ATOM 0 H ASN A 65 13.204 -2.063 5.622 1.00 0.00 H new ATOM 0 HA ASN A 65 11.815 -0.641 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.772 -1.956 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.122 -2.924 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.435 -1.809 8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.162 -1.978 6.397 1.00 0.00 H new ATOM 410 N ILE A 66 10.021 0.712 4.713 1.00 0.00 N ATOM 411 CA ILE A 66 9.049 1.800 4.529 1.00 0.00 C ATOM 412 C ILE A 66 7.839 1.035 4.188 1.00 0.00 C ATOM 413 O ILE A 66 7.802 0.158 3.350 1.00 0.00 O ATOM 414 CB ILE A 66 9.657 2.557 3.449 1.00 0.00 C ATOM 415 CG1 ILE A 66 8.735 3.615 2.843 1.00 0.00 C ATOM 416 CG2 ILE A 66 10.478 1.715 2.374 1.00 0.00 C ATOM 417 CD1 ILE A 66 8.373 4.674 3.890 1.00 0.00 C ATOM 0 H ILE A 66 10.099 0.162 3.857 1.00 0.00 H new ATOM 0 HA ILE A 66 8.806 2.497 5.331 1.00 0.00 H new ATOM 0 HB ILE A 66 10.444 3.113 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.225 4.089 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.828 3.143 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.884 2.387 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.295 1.190 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.817 0.990 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.716 5.419 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.863 4.198 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.282 5.159 4.246 1.00 0.00 H new ATOM 429 N GLU A 67 6.876 1.462 4.915 1.00 0.00 N ATOM 430 CA GLU A 67 5.562 0.872 4.791 1.00 0.00 C ATOM 431 C GLU A 67 4.736 1.813 3.959 1.00 0.00 C ATOM 432 O GLU A 67 3.793 2.383 4.462 1.00 0.00 O ATOM 433 CB GLU A 67 5.074 0.704 6.185 1.00 0.00 C ATOM 434 CG GLU A 67 6.148 -0.086 6.934 1.00 0.00 C ATOM 435 CD GLU A 67 5.602 -0.535 8.285 1.00 0.00 C ATOM 436 OE1 GLU A 67 5.284 0.348 9.063 1.00 0.00 O ATOM 437 OE2 GLU A 67 5.539 -1.743 8.452 1.00 0.00 O ATOM 0 H GLU A 67 6.953 2.211 5.603 1.00 0.00 H new ATOM 0 HA GLU A 67 5.529 -0.098 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.907 1.673 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.122 0.174 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.452 -0.953 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.035 0.531 7.076 1.00 0.00 H new ATOM 444 N VAL A 68 5.071 1.907 2.692 1.00 0.00 N ATOM 445 CA VAL A 68 4.313 2.818 1.868 1.00 0.00 C ATOM 446 C VAL A 68 3.020 2.312 1.472 1.00 0.00 C ATOM 447 O VAL A 68 2.651 1.179 1.272 1.00 0.00 O ATOM 448 CB VAL A 68 4.997 3.214 0.602 1.00 0.00 C ATOM 449 CG1 VAL A 68 5.617 4.543 0.981 1.00 0.00 C ATOM 450 CG2 VAL A 68 6.053 2.218 0.168 1.00 0.00 C ATOM 0 H VAL A 68 5.822 1.394 2.229 1.00 0.00 H new ATOM 0 HA VAL A 68 4.207 3.677 2.530 1.00 0.00 H new ATOM 0 HB VAL A 68 4.318 3.261 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.158 4.949 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.832 5.239 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.307 4.399 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.516 2.559 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.814 2.133 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.590 1.245 0.005 1.00 0.00 H new ATOM 460 N ALA A 69 2.413 3.419 1.390 1.00 0.00 N ATOM 461 CA ALA A 69 1.055 3.617 1.077 1.00 0.00 C ATOM 462 C ALA A 69 0.461 3.858 -0.192 1.00 0.00 C ATOM 463 O ALA A 69 0.979 3.915 -1.286 1.00 0.00 O ATOM 464 CB ALA A 69 0.815 4.580 1.834 1.00 0.00 C ATOM 0 H ALA A 69 2.898 4.301 1.556 1.00 0.00 H new ATOM 0 HA ALA A 69 0.615 2.623 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.227 4.879 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.000 4.286 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.463 5.417 1.574 1.00 0.00 H new ATOM 470 N VAL A 70 -0.758 4.008 0.177 1.00 0.00 N ATOM 471 CA VAL A 70 -1.726 4.302 -0.841 1.00 0.00 C ATOM 472 C VAL A 70 -2.684 5.275 -0.280 1.00 0.00 C ATOM 473 O VAL A 70 -3.393 5.103 0.695 1.00 0.00 O ATOM 474 CB VAL A 70 -2.484 3.152 -1.293 1.00 0.00 C ATOM 475 CG1 VAL A 70 -1.411 2.238 -1.709 1.00 0.00 C ATOM 476 CG2 VAL A 70 -3.316 2.419 -0.261 1.00 0.00 C ATOM 0 H VAL A 70 -1.110 3.938 1.132 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.175 4.678 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.216 3.477 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.847 1.310 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.822 2.704 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.767 2.021 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.829 1.582 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.667 2.045 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.051 3.101 0.165 1.00 0.00 H new ATOM 486 N ALA A 71 -2.554 6.334 -0.974 1.00 0.00 N ATOM 487 CA ALA A 71 -3.369 7.507 -0.690 1.00 0.00 C ATOM 488 C ALA A 71 -4.120 7.800 -1.981 1.00 0.00 C ATOM 489 O ALA A 71 -3.854 7.189 -2.996 1.00 0.00 O ATOM 490 CB ALA A 71 -2.474 8.672 -0.305 1.00 0.00 C ATOM 0 H ALA A 71 -1.899 6.442 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.057 7.345 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.088 9.548 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.897 8.410 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.794 8.896 -1.127 1.00 0.00 H new ATOM 496 N GLY A 72 -5.035 8.721 -1.916 1.00 0.00 N ATOM 497 CA GLY A 72 -5.806 9.065 -3.166 1.00 0.00 C ATOM 498 C GLY A 72 -7.183 8.429 -3.103 1.00 0.00 C ATOM 499 O GLY A 72 -7.898 8.570 -2.128 1.00 0.00 O ATOM 0 H GLY A 72 -5.288 9.247 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.898 10.147 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.270 8.710 -4.046 1.00 0.00 H new ATOM 503 N ARG A 73 -7.529 7.769 -4.174 1.00 0.00 N ATOM 504 CA ARG A 73 -8.821 7.090 -4.232 1.00 0.00 C ATOM 505 C ARG A 73 -8.848 5.860 -5.117 1.00 0.00 C ATOM 506 O ARG A 73 -8.439 5.854 -6.267 1.00 0.00 O ATOM 507 CB ARG A 73 -9.852 7.995 -4.727 1.00 0.00 C ATOM 508 CG ARG A 73 -9.371 8.943 -5.817 1.00 0.00 C ATOM 509 CD ARG A 73 -10.642 9.478 -6.479 1.00 0.00 C ATOM 510 NE ARG A 73 -10.272 10.425 -7.563 1.00 0.00 N ATOM 511 CZ ARG A 73 -10.798 11.618 -7.558 1.00 0.00 C ATOM 512 NH1 ARG A 73 -10.458 12.457 -6.618 1.00 0.00 N ATOM 513 NH2 ARG A 73 -11.649 11.931 -8.497 1.00 0.00 N ATOM 0 H ARG A 73 -6.955 7.679 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.006 6.772 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.684 7.406 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.237 8.582 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.775 9.754 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.740 8.424 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.228 8.654 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.267 9.980 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.620 10.147 -8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.789 12.176 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.861 13.394 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.890 11.248 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.073 12.859 -8.513 1.00 0.00 H new ATOM 527 N MET A 74 -9.276 4.822 -4.463 1.00 0.00 N ATOM 528 CA MET A 74 -9.412 3.508 -5.143 1.00 0.00 C ATOM 529 C MET A 74 -10.063 2.335 -4.397 1.00 0.00 C ATOM 530 O MET A 74 -10.926 2.472 -3.553 1.00 0.00 O ATOM 531 CB MET A 74 -8.113 3.151 -5.631 1.00 0.00 C ATOM 532 CG MET A 74 -8.412 2.740 -7.166 1.00 0.00 C ATOM 533 SD MET A 74 -7.136 2.364 -8.395 1.00 0.00 S ATOM 534 CE MET A 74 -8.023 2.977 -9.852 1.00 0.00 C ATOM 0 H MET A 74 -9.540 4.827 -3.478 1.00 0.00 H new ATOM 0 HA MET A 74 -10.155 3.675 -5.923 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.412 3.983 -5.564 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.681 2.324 -5.067 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.058 1.863 -7.123 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.005 3.552 -7.586 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.347 3.574 -10.465 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.392 2.133 -10.435 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.864 3.593 -9.534 1.00 0.00 H new ATOM 544 N MET A 75 -9.540 1.214 -4.823 1.00 0.00 N ATOM 545 CA MET A 75 -9.807 -0.181 -4.424 1.00 0.00 C ATOM 546 C MET A 75 -10.157 -0.874 -5.711 1.00 0.00 C ATOM 547 O MET A 75 -11.300 -1.194 -5.967 1.00 0.00 O ATOM 548 CB MET A 75 -10.981 -0.369 -3.501 1.00 0.00 C ATOM 549 CG MET A 75 -10.883 -1.878 -3.253 1.00 0.00 C ATOM 550 SD MET A 75 -12.092 -2.985 -4.020 1.00 0.00 S ATOM 551 CE MET A 75 -13.495 -2.549 -2.967 1.00 0.00 C ATOM 0 H MET A 75 -8.825 1.241 -5.550 1.00 0.00 H new ATOM 0 HA MET A 75 -8.937 -0.557 -3.887 1.00 0.00 H new ATOM 0 HB2 MET A 75 -10.887 0.211 -2.583 1.00 0.00 H new ATOM 0 HB3 MET A 75 -11.925 -0.083 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.893 -2.199 -3.578 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.932 -2.036 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.778 -3.411 -2.362 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.216 -1.723 -2.313 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.338 -2.250 -3.590 1.00 0.00 H new ATOM 561 N THR A 76 -9.141 -1.074 -6.499 1.00 0.00 N ATOM 562 CA THR A 76 -9.383 -1.727 -7.771 1.00 0.00 C ATOM 563 C THR A 76 -9.017 -3.134 -7.940 1.00 0.00 C ATOM 564 O THR A 76 -9.238 -3.715 -8.941 1.00 0.00 O ATOM 565 CB THR A 76 -8.789 -0.826 -8.777 1.00 0.00 C ATOM 566 OG1 THR A 76 -9.892 -0.357 -9.537 1.00 0.00 O ATOM 567 CG2 THR A 76 -7.916 -1.512 -9.729 1.00 0.00 C ATOM 0 H THR A 76 -8.175 -0.812 -6.305 1.00 0.00 H new ATOM 0 HA THR A 76 -10.460 -1.858 -7.876 1.00 0.00 H new ATOM 0 HB THR A 76 -8.198 -0.066 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.573 0.256 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.514 -0.790 -10.440 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.096 -1.989 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.487 -2.270 -10.266 1.00 0.00 H new ATOM 575 N ARG A 77 -8.357 -3.708 -7.048 1.00 0.00 N ATOM 576 CA ARG A 77 -8.087 -5.190 -7.289 1.00 0.00 C ATOM 577 C ARG A 77 -8.554 -6.379 -6.415 1.00 0.00 C ATOM 578 O ARG A 77 -9.428 -6.277 -5.578 1.00 0.00 O ATOM 579 CB ARG A 77 -6.612 -5.404 -7.685 1.00 0.00 C ATOM 580 CG ARG A 77 -6.532 -6.006 -9.082 1.00 0.00 C ATOM 581 CD ARG A 77 -5.060 -6.004 -9.512 1.00 0.00 C ATOM 582 NE ARG A 77 -4.245 -6.660 -8.450 1.00 0.00 N ATOM 583 CZ ARG A 77 -3.241 -6.012 -7.920 1.00 0.00 C ATOM 584 NH1 ARG A 77 -3.471 -4.953 -7.195 1.00 0.00 N ATOM 585 NH2 ARG A 77 -2.030 -6.447 -8.135 1.00 0.00 N ATOM 0 H ARG A 77 -7.987 -3.296 -6.192 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.864 -5.295 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.078 -4.454 -7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.126 -6.064 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.929 -7.021 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.135 -5.427 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.943 -6.533 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.716 -4.982 -9.674 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.469 -7.606 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.429 -4.636 -7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.693 -4.442 -6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.881 -7.278 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.232 -5.956 -7.731 1.00 0.00 H new ATOM 599 N ARG A 78 -8.006 -7.531 -6.643 1.00 0.00 N ATOM 600 CA ARG A 78 -8.431 -8.702 -5.813 1.00 0.00 C ATOM 601 C ARG A 78 -7.591 -9.918 -6.133 1.00 0.00 C ATOM 602 O ARG A 78 -7.127 -9.991 -7.254 1.00 0.00 O ATOM 603 CB ARG A 78 -9.922 -9.058 -6.073 1.00 0.00 C ATOM 604 CG ARG A 78 -10.187 -9.541 -7.516 1.00 0.00 C ATOM 605 CD ARG A 78 -10.035 -11.074 -7.637 1.00 0.00 C ATOM 606 NE ARG A 78 -10.947 -11.719 -6.648 1.00 0.00 N ATOM 607 CZ ARG A 78 -11.919 -12.478 -7.076 1.00 0.00 C ATOM 608 NH1 ARG A 78 -12.774 -11.983 -7.926 1.00 0.00 N ATOM 609 NH2 ARG A 78 -11.997 -13.705 -6.639 1.00 0.00 N ATOM 0 H ARG A 78 -7.296 -7.721 -7.350 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.297 -8.421 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.231 -9.835 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.539 -8.183 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.192 -9.249 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.493 -9.050 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.280 -11.400 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.003 -11.368 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.812 -11.569 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.676 -11.019 -8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.541 -12.560 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.306 -14.055 -5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.749 -14.314 -6.961 1.00 0.00 H new ATOM 623 N ILE A 79 -7.384 -10.831 -5.206 1.00 0.00 N ATOM 624 CA ILE A 79 -6.573 -11.986 -5.609 1.00 0.00 C ATOM 625 C ILE A 79 -7.516 -13.196 -5.462 1.00 0.00 C ATOM 626 O ILE A 79 -7.591 -14.026 -6.345 1.00 0.00 O ATOM 627 CB ILE A 79 -5.322 -12.120 -4.722 1.00 0.00 C ATOM 628 CG1 ILE A 79 -4.328 -13.127 -5.357 1.00 0.00 C ATOM 629 CG2 ILE A 79 -5.698 -12.751 -3.455 1.00 0.00 C ATOM 630 CD1 ILE A 79 -3.916 -12.732 -6.788 1.00 0.00 C ATOM 0 H ILE A 79 -7.727 -10.817 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.194 -11.894 -6.627 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.893 -11.125 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.437 -13.195 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.782 -14.118 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.816 -12.849 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.442 -12.136 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.116 -13.739 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.220 -13.472 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.801 -12.691 -7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.435 -11.754 -6.771 1.00 0.00 H new ATOM 642 N MET A 80 -8.217 -13.267 -4.351 1.00 0.00 N ATOM 643 CA MET A 80 -9.161 -14.402 -4.122 1.00 0.00 C ATOM 644 C MET A 80 -10.334 -14.029 -3.222 1.00 0.00 C ATOM 645 O MET A 80 -10.760 -14.786 -2.373 1.00 0.00 O ATOM 646 CB MET A 80 -8.374 -15.562 -3.507 1.00 0.00 C ATOM 647 CG MET A 80 -7.808 -15.133 -2.132 1.00 0.00 C ATOM 648 SD MET A 80 -6.530 -16.175 -1.388 1.00 0.00 S ATOM 649 CE MET A 80 -7.052 -15.970 0.333 1.00 0.00 C ATOM 0 H MET A 80 -8.173 -12.584 -3.594 1.00 0.00 H new ATOM 0 HA MET A 80 -9.592 -14.684 -5.082 1.00 0.00 H new ATOM 0 HB2 MET A 80 -9.020 -16.432 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.561 -15.856 -4.171 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.402 -14.127 -2.235 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.640 -15.071 -1.431 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.389 -16.539 0.985 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.008 -14.915 0.603 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.074 -16.332 0.449 1.00 0.00 H new ATOM 659 N GLY A 81 -10.828 -12.853 -3.450 1.00 0.00 N ATOM 660 CA GLY A 81 -11.985 -12.371 -2.628 1.00 0.00 C ATOM 661 C GLY A 81 -11.507 -11.623 -1.369 1.00 0.00 C ATOM 662 O GLY A 81 -11.772 -10.451 -1.192 1.00 0.00 O ATOM 0 H GLY A 81 -10.492 -12.202 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.611 -11.711 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.604 -13.219 -2.336 1.00 0.00 H new ATOM 666 N LYS A 82 -10.808 -12.348 -0.533 1.00 0.00 N ATOM 667 CA LYS A 82 -10.261 -11.783 0.741 1.00 0.00 C ATOM 668 C LYS A 82 -8.781 -11.610 0.415 1.00 0.00 C ATOM 669 O LYS A 82 -8.505 -11.831 -0.747 1.00 0.00 O ATOM 670 CB LYS A 82 -10.487 -12.793 1.861 1.00 0.00 C ATOM 671 CG LYS A 82 -11.989 -13.079 2.023 1.00 0.00 C ATOM 672 CD LYS A 82 -12.712 -11.796 2.457 1.00 0.00 C ATOM 673 CE LYS A 82 -14.181 -12.127 2.728 1.00 0.00 C ATOM 674 NZ LYS A 82 -14.904 -10.896 3.156 1.00 0.00 N ATOM 0 H LYS A 82 -10.588 -13.333 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.720 -10.852 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.955 -13.718 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.080 -12.408 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.404 -13.442 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.143 -13.864 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.246 -11.385 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.633 -11.037 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.643 -12.538 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.255 -12.891 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.902 -11.125 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.470 -10.522 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.846 -10.180 2.404 1.00 0.00 H new ATOM 688 N ALA A 83 -7.915 -11.255 1.354 1.00 0.00 N ATOM 689 CA ALA A 83 -6.459 -11.062 1.053 1.00 0.00 C ATOM 690 C ALA A 83 -6.104 -11.293 -0.377 1.00 0.00 C ATOM 691 O ALA A 83 -5.705 -12.336 -0.838 1.00 0.00 O ATOM 692 CB ALA A 83 -5.733 -11.898 1.801 1.00 0.00 C ATOM 0 H ALA A 83 -8.168 -11.091 2.328 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.241 -10.019 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.675 -11.757 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.915 -11.694 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.016 -12.926 1.576 1.00 0.00 H new ATOM 698 N SER A 84 -6.334 -10.138 -0.881 1.00 0.00 N ATOM 699 CA SER A 84 -6.256 -9.582 -2.271 1.00 0.00 C ATOM 700 C SER A 84 -5.173 -8.560 -2.453 1.00 0.00 C ATOM 701 O SER A 84 -4.519 -8.159 -1.521 1.00 0.00 O ATOM 702 CB SER A 84 -7.541 -8.934 -2.487 1.00 0.00 C ATOM 703 OG SER A 84 -8.496 -9.961 -2.720 1.00 0.00 O ATOM 0 H SER A 84 -6.639 -9.397 -0.250 1.00 0.00 H new ATOM 0 HA SER A 84 -6.029 -10.386 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.822 -8.337 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.491 -8.255 -3.338 1.00 0.00 H new ATOM 0 HG SER A 84 -8.542 -10.549 -1.937 1.00 0.00 H new ATOM 709 N PHE A 85 -5.039 -8.188 -3.692 1.00 0.00 N ATOM 710 CA PHE A 85 -4.070 -7.182 -4.130 1.00 0.00 C ATOM 711 C PHE A 85 -5.155 -6.246 -4.637 1.00 0.00 C ATOM 712 O PHE A 85 -6.207 -6.753 -4.951 1.00 0.00 O ATOM 713 CB PHE A 85 -3.243 -7.792 -5.241 1.00 0.00 C ATOM 714 CG PHE A 85 -2.518 -9.057 -4.756 1.00 0.00 C ATOM 715 CD1 PHE A 85 -2.375 -9.319 -3.415 1.00 0.00 C ATOM 716 CD2 PHE A 85 -2.002 -9.958 -5.660 1.00 0.00 C ATOM 717 CE1 PHE A 85 -1.738 -10.445 -2.963 1.00 0.00 C ATOM 718 CE2 PHE A 85 -1.356 -11.099 -5.219 1.00 0.00 C ATOM 719 CZ PHE A 85 -1.223 -11.345 -3.868 1.00 0.00 C ATOM 0 H PHE A 85 -5.601 -8.571 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.333 -6.760 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.887 -8.039 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.514 -7.065 -5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.776 -8.618 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.102 -9.773 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.641 -10.625 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.954 -11.800 -5.935 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.719 -12.236 -3.524 1.00 0.00 H new ATOM 729 N VAL A 86 -4.956 -4.962 -4.704 1.00 0.00 N ATOM 730 CA VAL A 86 -6.046 -4.073 -5.214 1.00 0.00 C ATOM 731 C VAL A 86 -5.462 -2.899 -5.973 1.00 0.00 C ATOM 732 O VAL A 86 -4.409 -2.488 -5.531 1.00 0.00 O ATOM 733 CB VAL A 86 -6.817 -3.667 -4.031 1.00 0.00 C ATOM 734 CG1 VAL A 86 -6.986 -2.177 -3.921 1.00 0.00 C ATOM 735 CG2 VAL A 86 -8.151 -4.434 -4.223 1.00 0.00 C ATOM 0 H VAL A 86 -4.095 -4.488 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.697 -4.578 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.324 -3.909 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.564 -1.941 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.006 -1.704 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.511 -1.804 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.821 -4.211 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.617 -4.125 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.954 -5.506 -4.253 1.00 0.00 H new ATOM 745 N THR A 87 -6.019 -2.340 -7.041 1.00 0.00 N ATOM 746 CA THR A 87 -5.098 -1.189 -7.470 1.00 0.00 C ATOM 747 C THR A 87 -5.606 0.139 -6.911 1.00 0.00 C ATOM 748 O THR A 87 -6.784 0.285 -6.684 1.00 0.00 O ATOM 749 CB THR A 87 -5.013 -1.023 -8.989 1.00 0.00 C ATOM 750 OG1 THR A 87 -4.843 -2.335 -9.506 1.00 0.00 O ATOM 751 CG2 THR A 87 -3.704 -0.321 -9.362 1.00 0.00 C ATOM 0 H THR A 87 -6.877 -2.554 -7.549 1.00 0.00 H new ATOM 0 HA THR A 87 -4.113 -1.445 -7.080 1.00 0.00 H new ATOM 0 HB THR A 87 -5.884 -0.479 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.783 -2.296 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.649 -0.205 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.670 0.661 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.860 -0.918 -9.017 1.00 0.00 H new ATOM 759 N LEU A 88 -4.725 1.078 -6.680 1.00 0.00 N ATOM 760 CA LEU A 88 -5.163 2.399 -6.142 1.00 0.00 C ATOM 761 C LEU A 88 -4.827 3.502 -7.108 1.00 0.00 C ATOM 762 O LEU A 88 -3.965 3.301 -7.935 1.00 0.00 O ATOM 763 CB LEU A 88 -4.450 2.762 -4.908 1.00 0.00 C ATOM 764 CG LEU A 88 -5.030 2.245 -3.591 1.00 0.00 C ATOM 765 CD1 LEU A 88 -5.954 3.328 -3.046 1.00 0.00 C ATOM 766 CD2 LEU A 88 -5.741 0.900 -3.713 1.00 0.00 C ATOM 0 H LEU A 88 -3.722 0.986 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.234 2.298 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.425 2.401 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.402 3.850 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.210 2.047 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.389 2.995 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.385 4.242 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.751 3.522 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.124 0.601 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.569 0.989 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.038 0.148 -4.072 1.00 0.00 H new ATOM 778 N GLN A 89 -5.493 4.628 -6.983 1.00 0.00 N ATOM 779 CA GLN A 89 -5.180 5.726 -7.924 1.00 0.00 C ATOM 780 C GLN A 89 -4.832 6.980 -7.123 1.00 0.00 C ATOM 781 O GLN A 89 -5.153 7.050 -5.951 1.00 0.00 O ATOM 782 CB GLN A 89 -6.424 5.900 -8.766 1.00 0.00 C ATOM 783 CG GLN A 89 -6.884 7.340 -8.717 1.00 0.00 C ATOM 784 CD GLN A 89 -8.182 7.482 -9.510 1.00 0.00 C ATOM 785 OE1 GLN A 89 -9.197 6.903 -9.171 1.00 0.00 O ATOM 786 NE2 GLN A 89 -8.189 8.240 -10.571 1.00 0.00 N ATOM 0 H GLN A 89 -6.216 4.821 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.323 5.520 -8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.219 5.610 -9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.215 5.244 -8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.040 7.649 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.117 7.993 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.339 8.726 -10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.045 8.347 -11.116 1.00 0.00 H new ATOM 795 N ASP A 90 -4.188 7.939 -7.738 1.00 0.00 N ATOM 796 CA ASP A 90 -3.852 9.158 -6.971 1.00 0.00 C ATOM 797 C ASP A 90 -3.790 10.335 -7.918 1.00 0.00 C ATOM 798 O ASP A 90 -4.032 10.196 -9.100 1.00 0.00 O ATOM 799 CB ASP A 90 -2.518 8.976 -6.293 1.00 0.00 C ATOM 800 CG ASP A 90 -1.495 8.510 -7.320 1.00 0.00 C ATOM 801 OD1 ASP A 90 -0.948 9.370 -7.990 1.00 0.00 O ATOM 802 OD2 ASP A 90 -1.327 7.303 -7.368 1.00 0.00 O ATOM 0 H ASP A 90 -3.890 7.927 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.614 9.340 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.196 9.914 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.602 8.246 -5.488 1.00 0.00 H new ATOM 807 N VAL A 91 -3.469 11.453 -7.331 1.00 0.00 N ATOM 808 CA VAL A 91 -3.336 12.731 -8.043 1.00 0.00 C ATOM 809 C VAL A 91 -2.833 12.626 -9.491 1.00 0.00 C ATOM 810 O VAL A 91 -3.298 13.355 -10.346 1.00 0.00 O ATOM 811 CB VAL A 91 -2.428 13.582 -7.194 1.00 0.00 C ATOM 812 CG1 VAL A 91 -1.015 13.014 -7.167 1.00 0.00 C ATOM 813 CG2 VAL A 91 -2.505 14.948 -7.812 1.00 0.00 C ATOM 0 H VAL A 91 -3.286 11.523 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.325 13.171 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.727 13.613 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.380 13.647 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.036 12.006 -6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.616 12.982 -8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.870 15.636 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.165 14.899 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.536 15.302 -7.785 1.00 0.00 H new ATOM 823 N GLY A 92 -1.908 11.732 -9.737 1.00 0.00 N ATOM 824 CA GLY A 92 -1.376 11.594 -11.122 1.00 0.00 C ATOM 825 C GLY A 92 -1.324 10.179 -11.702 1.00 0.00 C ATOM 826 O GLY A 92 -0.541 9.963 -12.606 1.00 0.00 O ATOM 0 H GLY A 92 -1.504 11.100 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.985 12.210 -11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.367 12.007 -11.141 1.00 0.00 H new ATOM 830 N GLY A 93 -2.106 9.241 -11.230 1.00 0.00 N ATOM 831 CA GLY A 93 -1.993 7.888 -11.867 1.00 0.00 C ATOM 832 C GLY A 93 -2.159 6.794 -10.837 1.00 0.00 C ATOM 833 O GLY A 93 -2.481 7.091 -9.710 1.00 0.00 O ATOM 0 H GLY A 93 -2.783 9.338 -10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.752 7.782 -12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.023 7.790 -12.355 1.00 0.00 H new ATOM 837 N ARG A 94 -1.950 5.559 -11.217 1.00 0.00 N ATOM 838 CA ARG A 94 -2.113 4.483 -10.221 1.00 0.00 C ATOM 839 C ARG A 94 -0.855 3.726 -9.809 1.00 0.00 C ATOM 840 O ARG A 94 0.132 3.633 -10.511 1.00 0.00 O ATOM 841 CB ARG A 94 -3.015 3.458 -10.738 1.00 0.00 C ATOM 842 CG ARG A 94 -4.450 3.844 -10.846 1.00 0.00 C ATOM 843 CD ARG A 94 -4.735 4.874 -11.942 1.00 0.00 C ATOM 844 NE ARG A 94 -4.188 4.336 -13.217 1.00 0.00 N ATOM 845 CZ ARG A 94 -5.011 4.016 -14.175 1.00 0.00 C ATOM 846 NH1 ARG A 94 -5.852 3.037 -13.978 1.00 0.00 N ATOM 847 NH2 ARG A 94 -4.968 4.683 -15.295 1.00 0.00 N ATOM 0 H ARG A 94 -1.680 5.263 -12.155 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.479 5.023 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.665 3.159 -11.726 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.943 2.581 -10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.043 2.950 -11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.781 4.246 -9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.807 5.053 -12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.271 5.830 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.182 4.219 -13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.856 2.539 -13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.505 2.770 -14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.297 5.442 -15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.605 4.445 -16.055 1.00 0.00 H new ATOM 861 N ILE A 95 -1.003 3.213 -8.621 1.00 0.00 N ATOM 862 CA ILE A 95 0.058 2.397 -7.944 1.00 0.00 C ATOM 863 C ILE A 95 -0.701 1.173 -7.438 1.00 0.00 C ATOM 864 O ILE A 95 -1.896 1.297 -7.275 1.00 0.00 O ATOM 865 CB ILE A 95 0.668 3.232 -6.784 1.00 0.00 C ATOM 866 CG1 ILE A 95 -0.119 3.152 -5.440 1.00 0.00 C ATOM 867 CG2 ILE A 95 0.620 4.685 -7.266 1.00 0.00 C ATOM 868 CD1 ILE A 95 -1.425 3.964 -5.463 1.00 0.00 C ATOM 0 H ILE A 95 -1.850 3.328 -8.064 1.00 0.00 H new ATOM 0 HA ILE A 95 0.891 2.110 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 95 1.664 2.846 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.349 2.109 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.515 3.515 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.035 5.337 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.204 4.784 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.414 4.969 -7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.929 3.870 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.198 5.013 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.075 3.585 -6.252 1.00 0.00 H new ATOM 880 N GLN A 96 -0.080 0.041 -7.191 1.00 0.00 N ATOM 881 CA GLN A 96 -0.936 -1.083 -6.699 1.00 0.00 C ATOM 882 C GLN A 96 -0.411 -1.629 -5.387 1.00 0.00 C ATOM 883 O GLN A 96 0.757 -1.489 -5.063 1.00 0.00 O ATOM 884 CB GLN A 96 -0.968 -2.206 -7.736 1.00 0.00 C ATOM 885 CG GLN A 96 0.262 -3.065 -7.577 1.00 0.00 C ATOM 886 CD GLN A 96 0.274 -4.158 -8.652 1.00 0.00 C ATOM 887 OE1 GLN A 96 -0.723 -4.252 -9.491 1.00 0.00 O flip ATOM 888 NE2 GLN A 96 1.199 -4.941 -8.736 1.00 0.00 N flip ATOM 0 H GLN A 96 0.917 -0.147 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.943 -0.698 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.866 -2.810 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.006 -1.787 -8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.159 -2.451 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.275 -3.517 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.982 -4.876 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.192 -5.663 -9.457 1.00 0.00 H new ATOM 897 N LEU A 97 -1.307 -2.246 -4.660 1.00 0.00 N ATOM 898 CA LEU A 97 -0.847 -2.803 -3.370 1.00 0.00 C ATOM 899 C LEU A 97 -1.260 -4.263 -3.233 1.00 0.00 C ATOM 900 O LEU A 97 -1.948 -4.834 -4.055 1.00 0.00 O ATOM 901 CB LEU A 97 -1.424 -1.943 -2.222 1.00 0.00 C ATOM 902 CG LEU A 97 -2.779 -2.404 -1.697 1.00 0.00 C ATOM 903 CD1 LEU A 97 -3.258 -1.390 -0.687 1.00 0.00 C ATOM 904 CD2 LEU A 97 -3.790 -2.401 -2.801 1.00 0.00 C ATOM 0 H LEU A 97 -2.291 -2.381 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 97 0.242 -2.774 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.712 -1.939 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.515 -0.914 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.673 -3.403 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.228 -1.697 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.540 -1.324 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.352 -0.416 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.753 -2.732 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.888 -1.392 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.466 -3.076 -3.593 1.00 0.00 H new ATOM 916 N TYR A 98 -0.787 -4.795 -2.152 1.00 0.00 N ATOM 917 CA TYR A 98 -1.015 -6.197 -1.754 1.00 0.00 C ATOM 918 C TYR A 98 -1.754 -6.109 -0.403 1.00 0.00 C ATOM 919 O TYR A 98 -1.169 -5.897 0.640 1.00 0.00 O ATOM 920 CB TYR A 98 0.419 -6.724 -1.787 1.00 0.00 C ATOM 921 CG TYR A 98 0.702 -8.088 -1.211 1.00 0.00 C ATOM 922 CD1 TYR A 98 -0.255 -9.007 -0.863 1.00 0.00 C ATOM 923 CD2 TYR A 98 2.033 -8.402 -1.070 1.00 0.00 C ATOM 924 CE1 TYR A 98 0.129 -10.236 -0.384 1.00 0.00 C ATOM 925 CE2 TYR A 98 2.419 -9.632 -0.590 1.00 0.00 C ATOM 926 CZ TYR A 98 1.463 -10.565 -0.242 1.00 0.00 C ATOM 927 OH TYR A 98 1.837 -11.802 0.242 1.00 0.00 O ATOM 0 H TYR A 98 -0.214 -4.276 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.637 -6.868 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.745 -6.730 -2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.047 -6.006 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.303 -8.766 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.784 -7.674 -1.339 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.627 -10.959 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.468 -9.867 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 98 2.815 -11.859 0.273 1.00 0.00 H new ATOM 937 N VAL A 99 -3.046 -6.288 -0.495 1.00 0.00 N ATOM 938 CA VAL A 99 -3.998 -6.246 0.636 1.00 0.00 C ATOM 939 C VAL A 99 -4.032 -7.627 1.244 1.00 0.00 C ATOM 940 O VAL A 99 -4.934 -8.401 0.996 1.00 0.00 O ATOM 941 CB VAL A 99 -5.375 -5.886 0.094 1.00 0.00 C ATOM 942 CG1 VAL A 99 -6.087 -5.235 1.173 1.00 0.00 C ATOM 943 CG2 VAL A 99 -5.334 -4.968 -1.069 1.00 0.00 C ATOM 0 H VAL A 99 -3.504 -6.476 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.703 -5.510 1.384 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.858 -6.800 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.085 -4.956 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.169 -5.918 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.544 -4.341 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.350 -4.756 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.845 -4.038 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.777 -5.435 -1.881 1.00 0.00 H new ATOM 953 N ALA A 100 -3.031 -7.903 2.024 1.00 0.00 N ATOM 954 CA ALA A 100 -2.961 -9.226 2.670 1.00 0.00 C ATOM 955 C ALA A 100 -2.986 -8.984 4.170 1.00 0.00 C ATOM 956 O ALA A 100 -2.194 -8.197 4.652 1.00 0.00 O ATOM 957 CB ALA A 100 -1.689 -9.793 2.153 1.00 0.00 C ATOM 0 H ALA A 100 -2.262 -7.268 2.239 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.776 -9.920 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.536 -10.787 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.737 -9.863 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.860 -9.146 2.439 1.00 0.00 H new ATOM 963 N ARG A 101 -3.863 -9.636 4.894 1.00 0.00 N ATOM 964 CA ARG A 101 -3.866 -9.381 6.345 1.00 0.00 C ATOM 965 C ARG A 101 -3.069 -10.447 7.069 1.00 0.00 C ATOM 966 O ARG A 101 -1.857 -10.380 7.129 1.00 0.00 O ATOM 967 CB ARG A 101 -5.336 -9.366 6.792 1.00 0.00 C ATOM 968 CG ARG A 101 -6.062 -8.295 5.979 1.00 0.00 C ATOM 969 CD ARG A 101 -6.036 -6.937 6.719 1.00 0.00 C ATOM 970 NE ARG A 101 -4.701 -6.708 7.330 1.00 0.00 N ATOM 971 CZ ARG A 101 -4.612 -6.644 8.629 1.00 0.00 C ATOM 972 NH1 ARG A 101 -5.195 -5.658 9.252 1.00 0.00 N ATOM 973 NH2 ARG A 101 -3.945 -7.572 9.260 1.00 0.00 N ATOM 0 H ARG A 101 -4.549 -10.308 4.549 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.394 -8.427 6.583 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.794 -10.342 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.409 -9.151 7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.591 -8.191 5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.094 -8.600 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.268 -6.131 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.805 -6.921 7.492 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.872 -6.603 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.710 -4.954 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.136 -5.591 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.505 -8.329 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.864 -7.540 10.276 1.00 0.00 H new ATOM 987 N ASP A 102 -3.768 -11.403 7.598 1.00 0.00 N ATOM 988 CA ASP A 102 -3.092 -12.489 8.337 1.00 0.00 C ATOM 989 C ASP A 102 -2.973 -13.800 7.575 1.00 0.00 C ATOM 990 O ASP A 102 -2.029 -14.086 6.865 1.00 0.00 O ATOM 991 CB ASP A 102 -3.870 -12.661 9.632 1.00 0.00 C ATOM 992 CG ASP A 102 -3.649 -11.431 10.516 1.00 0.00 C ATOM 993 OD1 ASP A 102 -4.117 -10.374 10.123 1.00 0.00 O ATOM 994 OD2 ASP A 102 -3.017 -11.625 11.541 1.00 0.00 O ATOM 0 H ASP A 102 -4.784 -11.478 7.549 1.00 0.00 H new ATOM 0 HA ASP A 102 -2.053 -12.209 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.932 -12.785 9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.542 -13.561 10.151 1.00 0.00 H new ATOM 999 N ASP A 103 -4.019 -14.544 7.799 1.00 0.00 N ATOM 1000 CA ASP A 103 -4.225 -15.893 7.217 1.00 0.00 C ATOM 1001 C ASP A 103 -5.691 -16.101 6.847 1.00 0.00 C ATOM 1002 O ASP A 103 -6.010 -16.691 5.835 1.00 0.00 O ATOM 1003 CB ASP A 103 -3.799 -16.830 8.225 1.00 0.00 C ATOM 1004 CG ASP A 103 -2.283 -16.760 8.414 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -1.595 -17.131 7.479 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -1.904 -16.330 9.490 1.00 0.00 O ATOM 0 H ASP A 103 -4.786 -14.246 8.402 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.655 -16.026 6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.300 -16.611 9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.089 -17.840 7.937 1.00 0.00 H new ATOM 1011 N LEU A 104 -6.522 -15.604 7.731 1.00 0.00 N ATOM 1012 CA LEU A 104 -8.003 -15.665 7.616 1.00 0.00 C ATOM 1013 C LEU A 104 -8.476 -14.202 7.504 1.00 0.00 C ATOM 1014 O LEU A 104 -9.022 -13.643 8.433 1.00 0.00 O ATOM 1015 CB LEU A 104 -8.520 -16.312 8.879 1.00 0.00 C ATOM 1016 CG LEU A 104 -8.018 -17.764 9.015 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -8.486 -18.305 10.370 1.00 0.00 C ATOM 1018 CD2 LEU A 104 -8.626 -18.646 7.920 1.00 0.00 C ATOM 0 H LEU A 104 -6.205 -15.131 8.577 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.357 -16.238 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.199 -15.732 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.610 -16.301 8.875 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.931 -17.777 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.143 -19.333 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.074 -17.689 11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.575 -18.279 10.416 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.261 -19.667 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.712 -18.637 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.338 -18.262 6.942 1.00 0.00 H new ATOM 1030 N PRO A 105 -8.246 -13.626 6.354 1.00 0.00 N ATOM 1031 CA PRO A 105 -8.055 -12.168 6.182 1.00 0.00 C ATOM 1032 C PRO A 105 -9.336 -11.351 5.947 1.00 0.00 C ATOM 1033 O PRO A 105 -9.907 -11.356 4.876 1.00 0.00 O ATOM 1034 CB PRO A 105 -7.088 -12.109 5.035 1.00 0.00 C ATOM 1035 CG PRO A 105 -7.595 -13.254 4.110 1.00 0.00 C ATOM 1036 CD PRO A 105 -8.122 -14.346 5.065 1.00 0.00 C ATOM 0 HA PRO A 105 -7.692 -11.696 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.111 -11.141 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.061 -12.275 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.382 -12.902 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.791 -13.636 3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.080 -14.746 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.433 -15.187 5.137 1.00 0.00 H new ATOM 1044 N GLU A 106 -9.728 -10.683 6.997 1.00 0.00 N ATOM 1045 CA GLU A 106 -10.872 -9.812 7.144 1.00 0.00 C ATOM 1046 C GLU A 106 -11.229 -8.838 6.001 1.00 0.00 C ATOM 1047 O GLU A 106 -10.838 -8.968 4.859 1.00 0.00 O ATOM 1048 CB GLU A 106 -10.498 -9.217 8.448 1.00 0.00 C ATOM 1049 CG GLU A 106 -9.481 -8.147 8.189 1.00 0.00 C ATOM 1050 CD GLU A 106 -8.763 -7.812 9.499 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -9.456 -7.392 10.410 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -7.557 -8.004 9.512 1.00 0.00 O ATOM 0 H GLU A 106 -9.199 -10.739 7.867 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.835 -10.321 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -11.375 -8.799 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -10.090 -9.979 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.763 -8.484 7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.965 -7.257 7.787 1.00 0.00 H new ATOM 1059 N GLY A 107 -11.988 -7.860 6.408 1.00 0.00 N ATOM 1060 CA GLY A 107 -12.473 -6.787 5.477 1.00 0.00 C ATOM 1061 C GLY A 107 -11.885 -5.444 5.850 1.00 0.00 C ATOM 1062 O GLY A 107 -11.937 -4.531 5.053 1.00 0.00 O ATOM 0 H GLY A 107 -12.304 -7.752 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.198 -7.037 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.561 -6.734 5.511 1.00 0.00 H new ATOM 1066 N VAL A 108 -11.355 -5.347 7.047 1.00 0.00 N ATOM 1067 CA VAL A 108 -10.704 -4.112 7.583 1.00 0.00 C ATOM 1068 C VAL A 108 -9.782 -3.498 6.526 1.00 0.00 C ATOM 1069 O VAL A 108 -9.351 -2.365 6.511 1.00 0.00 O ATOM 1070 CB VAL A 108 -9.946 -4.523 8.775 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -9.102 -3.385 9.344 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -11.026 -4.857 9.782 1.00 0.00 C ATOM 0 H VAL A 108 -11.350 -6.123 7.709 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.441 -3.351 7.841 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.261 -5.339 8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.561 -3.737 10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.390 -3.048 8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.751 -2.556 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.566 -5.178 10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.639 -3.974 9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.652 -5.659 9.391 1.00 0.00 H new ATOM 1082 N TYR A 109 -9.526 -4.422 5.678 1.00 0.00 N ATOM 1083 CA TYR A 109 -8.725 -4.366 4.474 1.00 0.00 C ATOM 1084 C TYR A 109 -9.348 -3.713 3.260 1.00 0.00 C ATOM 1085 O TYR A 109 -10.027 -2.728 3.380 1.00 0.00 O ATOM 1086 CB TYR A 109 -8.368 -5.856 4.419 1.00 0.00 C ATOM 1087 CG TYR A 109 -8.776 -6.675 3.214 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -10.064 -6.725 2.655 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -7.783 -7.405 2.666 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -10.284 -7.524 1.557 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -8.006 -8.176 1.587 1.00 0.00 C ATOM 1092 CZ TYR A 109 -9.252 -8.255 1.010 1.00 0.00 C ATOM 1093 OH TYR A 109 -9.480 -9.041 -0.098 1.00 0.00 O ATOM 0 H TYR A 109 -9.912 -5.357 5.812 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.870 -3.690 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.285 -5.937 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -8.804 -6.329 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -10.869 -6.145 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.795 -7.370 3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -11.271 -7.579 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.190 -8.745 1.165 1.00 0.00 H new ATOM 0 HH TYR A 109 -10.443 -9.186 -0.204 1.00 0.00 H new ATOM 1103 N ASN A 110 -9.100 -4.240 2.109 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.660 -3.680 0.862 1.00 0.00 C ATOM 1105 C ASN A 110 -11.130 -3.378 1.001 1.00 0.00 C ATOM 1106 O ASN A 110 -11.685 -2.656 0.197 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.477 -4.633 -0.392 1.00 0.00 C ATOM 1108 CG ASN A 110 -10.592 -5.649 -0.698 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -11.769 -5.463 -0.462 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -10.235 -6.770 -1.259 1.00 0.00 N ATOM 0 H ASN A 110 -8.513 -5.063 1.975 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.095 -2.764 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.348 -4.004 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.548 -5.187 -0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.939 -7.471 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.252 -6.946 -1.466 1.00 0.00 H new ATOM 1117 N GLU A 111 -11.762 -3.913 2.014 1.00 0.00 N ATOM 1118 CA GLU A 111 -13.148 -3.655 2.085 1.00 0.00 C ATOM 1119 C GLU A 111 -13.411 -2.384 2.755 1.00 0.00 C ATOM 1120 O GLU A 111 -14.339 -1.673 2.453 1.00 0.00 O ATOM 1121 CB GLU A 111 -13.772 -4.726 2.797 1.00 0.00 C ATOM 1122 CG GLU A 111 -14.993 -4.688 2.001 1.00 0.00 C ATOM 1123 CD GLU A 111 -16.178 -5.287 2.752 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -16.498 -4.711 3.778 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -16.688 -6.278 2.258 1.00 0.00 O ATOM 0 H GLU A 111 -11.359 -4.492 2.750 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.555 -3.586 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.233 -5.671 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.929 -4.520 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.218 -3.657 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.838 -5.235 1.071 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.571 -2.182 3.697 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.620 -0.992 4.473 1.00 0.00 C ATOM 1134 C GLN A 112 -12.492 -0.019 3.309 1.00 0.00 C ATOM 1135 O GLN A 112 -13.331 0.836 3.164 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.487 -1.218 5.306 1.00 0.00 C ATOM 1137 CG GLN A 112 -11.747 -0.441 6.531 1.00 0.00 C ATOM 1138 CD GLN A 112 -10.525 -0.076 7.372 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -9.635 0.629 6.947 1.00 0.00 O ATOM 1140 NE2 GLN A 112 -10.447 -0.543 8.586 1.00 0.00 N ATOM 0 H GLN A 112 -11.829 -2.832 3.956 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.436 -0.673 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.368 -2.278 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.569 -0.890 4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.257 0.481 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.436 -1.009 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.191 -1.137 8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.642 -0.315 9.170 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.467 -0.161 2.504 1.00 0.00 N ATOM 1150 CA PHE A 113 -11.327 0.781 1.336 1.00 0.00 C ATOM 1151 C PHE A 113 -12.678 0.944 0.660 1.00 0.00 C ATOM 1152 O PHE A 113 -13.059 2.019 0.239 1.00 0.00 O ATOM 1153 CB PHE A 113 -10.568 0.329 0.124 1.00 0.00 C ATOM 1154 CG PHE A 113 -9.040 0.181 0.124 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -8.287 1.162 0.723 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -8.388 -0.876 -0.508 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -6.915 1.101 0.696 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -7.022 -0.936 -0.542 1.00 0.00 C ATOM 1159 CZ PHE A 113 -6.281 0.056 0.065 1.00 0.00 C ATOM 0 H PHE A 113 -10.736 -0.867 2.595 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.838 1.622 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.977 -0.641 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.815 1.024 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.777 1.987 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.968 -1.657 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.332 1.876 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.527 -1.756 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.202 0.012 0.045 1.00 0.00 H new ATOM 1169 N LYS A 114 -13.361 -0.168 0.588 1.00 0.00 N ATOM 1170 CA LYS A 114 -14.697 -0.120 -0.087 1.00 0.00 C ATOM 1171 C LYS A 114 -15.690 0.737 0.675 1.00 0.00 C ATOM 1172 O LYS A 114 -16.502 1.441 0.110 1.00 0.00 O ATOM 1173 CB LYS A 114 -15.278 -1.534 -0.216 1.00 0.00 C ATOM 1174 CG LYS A 114 -16.355 -1.525 -1.300 1.00 0.00 C ATOM 1175 CD LYS A 114 -16.858 -2.956 -1.476 1.00 0.00 C ATOM 1176 CE LYS A 114 -17.862 -2.979 -2.628 1.00 0.00 C ATOM 1177 NZ LYS A 114 -18.337 -4.374 -2.850 1.00 0.00 N ATOM 0 H LYS A 114 -13.070 -1.076 0.951 1.00 0.00 H new ATOM 0 HA LYS A 114 -14.537 0.320 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -14.491 -2.244 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.702 -1.856 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -17.175 -0.865 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.949 -1.146 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.025 -3.627 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -17.327 -3.308 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.707 -2.328 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.398 -2.593 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -19.020 -4.388 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.528 -4.983 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -18.795 -4.726 -1.986 1.00 0.00 H new ATOM 1191 N LYS A 115 -15.572 0.640 1.961 1.00 0.00 N ATOM 1192 CA LYS A 115 -16.382 1.326 2.907 1.00 0.00 C ATOM 1193 C LYS A 115 -16.167 2.813 2.799 1.00 0.00 C ATOM 1194 O LYS A 115 -17.106 3.568 2.958 1.00 0.00 O ATOM 1195 CB LYS A 115 -15.965 0.728 4.224 1.00 0.00 C ATOM 1196 CG LYS A 115 -17.145 0.514 5.079 1.00 0.00 C ATOM 1197 CD LYS A 115 -17.777 1.847 5.501 1.00 0.00 C ATOM 1198 CE LYS A 115 -18.851 1.568 6.552 1.00 0.00 C ATOM 1199 NZ LYS A 115 -19.915 0.705 5.970 1.00 0.00 N ATOM 0 H LYS A 115 -14.868 0.046 2.400 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.455 1.209 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.451 -0.219 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -15.258 1.389 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.881 -0.086 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.857 -0.051 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.016 2.515 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.214 2.348 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.406 1.078 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.282 2.506 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.753 0.725 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.170 1.058 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.566 -0.272 5.892 1.00 0.00 H new ATOM 1213 N TRP A 116 -14.956 3.234 2.526 1.00 0.00 N ATOM 1214 CA TRP A 116 -14.801 4.685 2.456 1.00 0.00 C ATOM 1215 C TRP A 116 -14.903 5.242 1.073 1.00 0.00 C ATOM 1216 O TRP A 116 -14.609 4.655 0.051 1.00 0.00 O ATOM 1217 CB TRP A 116 -13.473 5.155 2.906 1.00 0.00 C ATOM 1218 CG TRP A 116 -12.624 4.135 3.609 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -13.181 3.174 4.384 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -11.268 3.930 3.436 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -12.172 2.401 4.632 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -11.029 2.758 4.110 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -10.123 4.527 2.863 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -9.846 2.135 4.207 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -8.893 3.903 2.973 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -8.745 2.711 3.630 1.00 0.00 C ATOM 0 H TRP A 116 -14.127 2.664 2.361 1.00 0.00 H new ATOM 0 HA TRP A 116 -15.613 5.025 3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -12.924 5.521 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.616 6.004 3.574 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -14.206 3.077 4.712 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -12.265 1.561 5.203 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -10.208 5.468 2.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -9.762 1.195 4.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -8.026 4.369 2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.778 2.234 3.692 1.00 0.00 H new ATOM 1237 N ASP A 117 -15.357 6.434 1.204 1.00 0.00 N ATOM 1238 CA ASP A 117 -15.591 7.352 0.118 1.00 0.00 C ATOM 1239 C ASP A 117 -14.536 8.324 0.320 1.00 0.00 C ATOM 1240 O ASP A 117 -13.577 8.180 1.049 1.00 0.00 O ATOM 1241 CB ASP A 117 -16.866 8.046 0.260 1.00 0.00 C ATOM 1242 CG ASP A 117 -17.146 8.585 1.670 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -17.298 7.769 2.563 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -17.198 9.795 1.780 1.00 0.00 O ATOM 0 H ASP A 117 -15.592 6.830 2.114 1.00 0.00 H new ATOM 0 HA ASP A 117 -15.607 6.853 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -16.893 8.877 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.669 7.364 -0.020 1.00 0.00 H new ATOM 1249 N LEU A 118 -14.837 9.322 -0.408 1.00 0.00 N ATOM 1250 CA LEU A 118 -13.960 10.455 -0.389 1.00 0.00 C ATOM 1251 C LEU A 118 -14.388 11.415 0.637 1.00 0.00 C ATOM 1252 O LEU A 118 -15.539 11.660 0.931 1.00 0.00 O ATOM 1253 CB LEU A 118 -14.008 11.127 -1.581 1.00 0.00 C ATOM 1254 CG LEU A 118 -13.740 10.213 -2.755 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -12.663 9.245 -2.341 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -14.977 9.461 -3.287 1.00 0.00 C ATOM 0 H LEU A 118 -15.655 9.395 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.957 10.077 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.988 11.590 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.274 11.933 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.427 10.836 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.444 8.569 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.761 9.796 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.003 8.669 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.686 8.831 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -15.393 8.839 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.727 10.181 -3.615 1.00 0.00 H new ATOM 1268 N GLY A 119 -13.335 11.940 1.134 1.00 0.00 N ATOM 1269 CA GLY A 119 -13.473 12.938 2.183 1.00 0.00 C ATOM 1270 C GLY A 119 -12.393 13.767 1.566 1.00 0.00 C ATOM 1271 O GLY A 119 -12.711 14.615 0.757 1.00 0.00 O ATOM 0 H GLY A 119 -12.379 11.719 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.449 13.421 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -13.252 12.576 3.187 1.00 0.00 H new ATOM 1275 N ASP A 120 -11.154 13.534 1.925 1.00 0.00 N ATOM 1276 CA ASP A 120 -10.168 14.321 1.305 1.00 0.00 C ATOM 1277 C ASP A 120 -9.844 13.374 0.279 1.00 0.00 C ATOM 1278 O ASP A 120 -9.971 13.452 -0.926 1.00 0.00 O ATOM 1279 CB ASP A 120 -8.757 14.478 1.870 1.00 0.00 C ATOM 1280 CG ASP A 120 -7.816 15.249 0.937 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -8.290 15.758 -0.066 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -6.653 15.282 1.298 1.00 0.00 O ATOM 0 H ASP A 120 -10.835 12.843 2.605 1.00 0.00 H new ATOM 0 HA ASP A 120 -10.572 15.330 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.812 14.994 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.338 13.491 2.063 1.00 0.00 H new ATOM 1287 N ILE A 121 -9.388 12.439 1.072 1.00 0.00 N ATOM 1288 CA ILE A 121 -8.839 11.184 0.459 1.00 0.00 C ATOM 1289 C ILE A 121 -8.828 9.885 1.269 1.00 0.00 C ATOM 1290 O ILE A 121 -9.582 9.670 2.198 1.00 0.00 O ATOM 1291 CB ILE A 121 -7.499 11.755 0.076 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -6.998 11.320 -1.273 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -6.452 11.551 1.183 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -5.924 12.321 -1.742 1.00 0.00 C ATOM 0 H ILE A 121 -9.369 12.482 2.091 1.00 0.00 H new ATOM 0 HA ILE A 121 -9.455 10.759 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 121 -7.666 12.827 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.580 10.315 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -7.820 11.283 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.500 11.977 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.786 12.046 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.327 10.485 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.549 12.020 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -6.361 13.317 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.102 12.334 -1.027 1.00 0.00 H new ATOM 1306 N LEU A 122 -7.963 9.013 0.816 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.808 7.728 1.527 1.00 0.00 C ATOM 1308 C LEU A 122 -6.278 7.769 1.843 1.00 0.00 C ATOM 1309 O LEU A 122 -5.540 8.425 1.128 1.00 0.00 O ATOM 1310 CB LEU A 122 -8.163 6.556 0.616 1.00 0.00 C ATOM 1311 CG LEU A 122 -6.914 5.842 0.258 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -7.208 4.492 -0.145 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -6.509 6.508 -0.956 1.00 0.00 C ATOM 0 H LEU A 122 -7.370 9.140 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 122 -8.447 7.600 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.854 5.880 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.666 6.914 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.198 5.837 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.282 3.980 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.696 3.965 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -7.870 4.507 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.584 6.063 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -7.289 6.398 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.347 7.567 -0.754 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.841 7.094 2.882 1.00 0.00 N ATOM 1326 CA GLY A 123 -4.383 7.060 3.270 1.00 0.00 C ATOM 1327 C GLY A 123 -4.124 5.593 3.637 1.00 0.00 C ATOM 1328 O GLY A 123 -4.987 5.019 4.267 1.00 0.00 O ATOM 0 H GLY A 123 -6.447 6.550 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.745 7.383 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.179 7.723 4.111 1.00 0.00 H new ATOM 1332 N ALA A 124 -3.032 4.949 3.299 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.991 3.518 3.756 1.00 0.00 C ATOM 1334 C ALA A 124 -1.581 3.168 3.839 1.00 0.00 C ATOM 1335 O ALA A 124 -0.807 4.046 3.592 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.614 2.793 2.754 1.00 0.00 C ATOM 0 H ALA A 124 -2.233 5.306 2.775 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.476 3.332 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.621 1.736 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.639 3.144 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.073 2.928 1.817 1.00 0.00 H new ATOM 1342 N LYS A 125 -1.264 1.957 4.172 1.00 0.00 N ATOM 1343 CA LYS A 125 0.178 1.637 4.234 1.00 0.00 C ATOM 1344 C LYS A 125 0.524 0.202 3.972 1.00 0.00 C ATOM 1345 O LYS A 125 -0.253 -0.689 4.249 1.00 0.00 O ATOM 1346 CB LYS A 125 0.693 2.081 5.603 1.00 0.00 C ATOM 1347 CG LYS A 125 1.747 1.140 6.213 1.00 0.00 C ATOM 1348 CD LYS A 125 1.118 0.005 7.040 1.00 0.00 C ATOM 1349 CE LYS A 125 2.238 -0.864 7.606 1.00 0.00 C ATOM 1350 NZ LYS A 125 1.675 -1.867 8.551 1.00 0.00 N ATOM 0 H LYS A 125 -1.911 1.201 4.396 1.00 0.00 H new ATOM 0 HA LYS A 125 0.666 2.176 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.122 3.079 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.150 2.158 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.351 0.711 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.420 1.717 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.513 0.416 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.453 -0.593 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.762 -1.370 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.970 -0.240 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.451 -2.351 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.068 -1.387 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.113 -2.564 8.023 1.00 0.00 H new ATOM 1364 N GLY A 126 1.704 0.032 3.436 1.00 0.00 N ATOM 1365 CA GLY A 126 2.140 -1.358 3.149 1.00 0.00 C ATOM 1366 C GLY A 126 3.631 -1.374 2.879 1.00 0.00 C ATOM 1367 O GLY A 126 4.206 -0.341 2.628 1.00 0.00 O ATOM 0 H GLY A 126 2.363 0.771 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.906 -2.006 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.599 -1.750 2.287 1.00 0.00 H new ATOM 1371 N LYS A 127 4.290 -2.494 2.873 1.00 0.00 N ATOM 1372 CA LYS A 127 5.722 -2.304 2.604 1.00 0.00 C ATOM 1373 C LYS A 127 5.978 -2.137 1.176 1.00 0.00 C ATOM 1374 O LYS A 127 5.211 -2.502 0.319 1.00 0.00 O ATOM 1375 CB LYS A 127 6.532 -3.463 3.024 1.00 0.00 C ATOM 1376 CG LYS A 127 7.210 -3.007 4.263 1.00 0.00 C ATOM 1377 CD LYS A 127 7.958 -4.182 4.909 1.00 0.00 C ATOM 1378 CE LYS A 127 6.945 -5.137 5.557 1.00 0.00 C ATOM 1379 NZ LYS A 127 6.175 -4.413 6.610 1.00 0.00 N ATOM 0 H LYS A 127 3.941 -3.440 3.026 1.00 0.00 H new ATOM 0 HA LYS A 127 6.000 -1.415 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.908 -4.337 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.253 -3.744 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.908 -2.203 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.478 -2.602 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.544 -4.711 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.658 -3.814 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.265 -5.530 4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.463 -5.991 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 5.835 -5.092 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.790 -3.711 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 5.363 -3.930 6.176 1.00 0.00 H new ATOM 1393 N LEU A 128 7.117 -1.575 0.983 1.00 0.00 N ATOM 1394 CA LEU A 128 7.495 -1.333 -0.409 1.00 0.00 C ATOM 1395 C LEU A 128 8.218 -2.632 -0.593 1.00 0.00 C ATOM 1396 O LEU A 128 9.027 -2.952 0.255 1.00 0.00 O ATOM 1397 CB LEU A 128 8.340 -0.027 -0.373 1.00 0.00 C ATOM 1398 CG LEU A 128 9.597 -0.175 -1.167 1.00 0.00 C ATOM 1399 CD1 LEU A 128 9.385 -0.163 -2.606 1.00 0.00 C ATOM 1400 CD2 LEU A 128 10.730 0.774 -0.721 1.00 0.00 C ATOM 0 H LEU A 128 7.781 -1.282 1.700 1.00 0.00 H new ATOM 0 HA LEU A 128 6.776 -1.152 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.752 0.801 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.586 0.222 0.659 1.00 0.00 H new ATOM 0 HG LEU A 128 9.949 -1.179 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.342 -0.275 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.727 -0.987 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.926 0.782 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.609 0.608 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.401 1.808 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.981 0.577 0.321 1.00 0.00 H new ATOM 1412 N PHE A 129 7.947 -3.380 -1.627 1.00 0.00 N ATOM 1413 CA PHE A 129 8.737 -4.626 -1.674 1.00 0.00 C ATOM 1414 C PHE A 129 9.128 -4.871 -3.078 1.00 0.00 C ATOM 1415 O PHE A 129 8.539 -4.285 -3.968 1.00 0.00 O ATOM 1416 CB PHE A 129 7.915 -5.741 -1.096 1.00 0.00 C ATOM 1417 CG PHE A 129 6.657 -6.035 -1.865 1.00 0.00 C ATOM 1418 CD1 PHE A 129 5.550 -5.225 -1.772 1.00 0.00 C ATOM 1419 CD2 PHE A 129 6.640 -7.177 -2.621 1.00 0.00 C ATOM 1420 CE1 PHE A 129 4.401 -5.595 -2.457 1.00 0.00 C ATOM 1421 CE2 PHE A 129 5.488 -7.537 -3.300 1.00 0.00 C ATOM 1422 CZ PHE A 129 4.366 -6.735 -3.211 1.00 0.00 C ATOM 0 H PHE A 129 7.276 -3.204 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 129 9.648 -4.554 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.524 -6.644 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 129 7.650 -5.489 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.574 -4.322 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 129 7.523 -7.795 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 129 3.521 -4.973 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 129 5.467 -8.438 -3.895 1.00 0.00 H new ATOM 0 HZ PHE A 129 3.463 -7.008 -3.736 1.00 0.00 H new ATOM 1432 N LYS A 130 10.089 -5.759 -3.107 1.00 0.00 N ATOM 1433 CA LYS A 130 10.803 -6.265 -4.315 1.00 0.00 C ATOM 1434 C LYS A 130 10.687 -7.715 -4.787 1.00 0.00 C ATOM 1435 O LYS A 130 11.200 -8.630 -4.172 1.00 0.00 O ATOM 1436 CB LYS A 130 12.249 -5.896 -4.037 1.00 0.00 C ATOM 1437 CG LYS A 130 13.214 -6.281 -5.158 1.00 0.00 C ATOM 1438 CD LYS A 130 14.618 -5.933 -4.634 1.00 0.00 C ATOM 1439 CE LYS A 130 15.676 -6.145 -5.718 1.00 0.00 C ATOM 1440 NZ LYS A 130 15.475 -5.175 -6.830 1.00 0.00 N ATOM 0 H LYS A 130 10.436 -6.192 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 130 10.306 -5.808 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.313 -4.821 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 130 12.567 -6.382 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 130 13.136 -7.342 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.990 -5.733 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.638 -4.896 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 130 14.851 -6.552 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.672 -6.021 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.617 -7.164 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 16.332 -5.138 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.669 -5.477 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 15.283 -4.231 -6.437 1.00 0.00 H new ATOM 1454 N THR A 131 10.001 -7.864 -5.885 1.00 0.00 N ATOM 1455 CA THR A 131 9.808 -9.209 -6.485 1.00 0.00 C ATOM 1456 C THR A 131 10.928 -9.296 -7.534 1.00 0.00 C ATOM 1457 O THR A 131 11.953 -9.911 -7.318 1.00 0.00 O ATOM 1458 CB THR A 131 8.420 -9.250 -7.120 1.00 0.00 C ATOM 1459 OG1 THR A 131 7.556 -9.000 -6.023 1.00 0.00 O ATOM 1460 CG2 THR A 131 8.065 -10.666 -7.569 1.00 0.00 C ATOM 0 H THR A 131 9.561 -7.100 -6.397 1.00 0.00 H new ATOM 0 HA THR A 131 9.859 -10.041 -5.782 1.00 0.00 H new ATOM 0 HB THR A 131 8.356 -8.566 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.626 -9.004 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 131 7.072 -10.667 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 131 8.795 -11.009 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 131 8.075 -11.334 -6.708 1.00 0.00 H new ATOM 1468 N LYS A 132 10.679 -8.660 -8.649 1.00 0.00 N ATOM 1469 CA LYS A 132 11.649 -8.618 -9.785 1.00 0.00 C ATOM 1470 C LYS A 132 11.571 -7.173 -10.268 1.00 0.00 C ATOM 1471 O LYS A 132 12.472 -6.380 -10.078 1.00 0.00 O ATOM 1472 CB LYS A 132 11.206 -9.579 -10.895 1.00 0.00 C ATOM 1473 CG LYS A 132 11.359 -11.021 -10.398 1.00 0.00 C ATOM 1474 CD LYS A 132 10.890 -12.004 -11.484 1.00 0.00 C ATOM 1475 CE LYS A 132 11.784 -11.894 -12.728 1.00 0.00 C ATOM 1476 NZ LYS A 132 11.385 -12.930 -13.721 1.00 0.00 N ATOM 0 H LYS A 132 9.813 -8.150 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 132 12.658 -8.916 -9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.170 -9.384 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.808 -9.423 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.400 -11.218 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 132 10.775 -11.165 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.917 -13.023 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 132 9.855 -11.793 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 132 11.693 -10.900 -13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 132 12.830 -12.025 -12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.991 -12.855 -14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 11.493 -13.875 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.392 -12.785 -13.995 1.00 0.00 H new ATOM 1490 N THR A 133 10.455 -6.896 -10.885 1.00 0.00 N ATOM 1491 CA THR A 133 10.161 -5.541 -11.428 1.00 0.00 C ATOM 1492 C THR A 133 8.978 -5.147 -10.550 1.00 0.00 C ATOM 1493 O THR A 133 8.031 -4.504 -10.965 1.00 0.00 O ATOM 1494 CB THR A 133 9.745 -5.673 -12.886 1.00 0.00 C ATOM 1495 OG1 THR A 133 8.479 -6.316 -12.829 1.00 0.00 O ATOM 1496 CG2 THR A 133 10.605 -6.731 -13.567 1.00 0.00 C ATOM 0 H THR A 133 9.711 -7.577 -11.039 1.00 0.00 H new ATOM 0 HA THR A 133 10.984 -4.827 -11.411 1.00 0.00 H new ATOM 0 HB THR A 133 9.794 -4.707 -13.388 1.00 0.00 H new ATOM 0 HG1 THR A 133 7.812 -5.694 -12.469 1.00 0.00 H new ATOM 0 HG21 THR A 133 10.307 -6.825 -14.611 1.00 0.00 H new ATOM 0 HG22 THR A 133 11.653 -6.437 -13.514 1.00 0.00 H new ATOM 0 HG23 THR A 133 10.471 -7.688 -13.063 1.00 0.00 H new ATOM 1504 N GLY A 134 9.109 -5.570 -9.323 1.00 0.00 N ATOM 1505 CA GLY A 134 8.076 -5.310 -8.303 1.00 0.00 C ATOM 1506 C GLY A 134 8.775 -4.889 -7.033 1.00 0.00 C ATOM 1507 O GLY A 134 8.492 -5.458 -6.007 1.00 0.00 O ATOM 0 H GLY A 134 9.913 -6.098 -8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.394 -4.529 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.476 -6.204 -8.130 1.00 0.00 H new ATOM 1511 N GLU A 135 9.636 -3.921 -7.215 1.00 0.00 N ATOM 1512 CA GLU A 135 10.512 -3.237 -6.181 1.00 0.00 C ATOM 1513 C GLU A 135 9.667 -2.309 -5.427 1.00 0.00 C ATOM 1514 O GLU A 135 9.677 -2.173 -4.233 1.00 0.00 O ATOM 1515 CB GLU A 135 11.644 -2.545 -6.990 1.00 0.00 C ATOM 1516 CG GLU A 135 12.708 -1.810 -6.161 1.00 0.00 C ATOM 1517 CD GLU A 135 12.333 -0.335 -5.899 1.00 0.00 C ATOM 1518 OE1 GLU A 135 11.336 -0.071 -5.251 1.00 0.00 O ATOM 1519 OE2 GLU A 135 13.098 0.480 -6.382 1.00 0.00 O ATOM 0 H GLU A 135 9.787 -3.530 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 135 10.965 -3.906 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.143 -3.299 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 135 11.189 -1.831 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.841 -2.323 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.664 -1.852 -6.682 1.00 0.00 H new ATOM 1526 N LEU A 136 8.993 -1.752 -6.313 1.00 0.00 N ATOM 1527 CA LEU A 136 7.986 -0.758 -6.292 1.00 0.00 C ATOM 1528 C LEU A 136 6.578 -1.009 -5.874 1.00 0.00 C ATOM 1529 O LEU A 136 5.728 -0.181 -6.143 1.00 0.00 O ATOM 1530 CB LEU A 136 8.143 -0.366 -7.643 1.00 0.00 C ATOM 1531 CG LEU A 136 7.624 -1.553 -8.603 1.00 0.00 C ATOM 1532 CD1 LEU A 136 6.265 -2.185 -8.273 1.00 0.00 C ATOM 1533 CD2 LEU A 136 7.622 -1.080 -10.056 1.00 0.00 C ATOM 0 H LEU A 136 9.157 -2.030 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 136 8.131 -0.053 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 136 7.580 0.547 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 136 9.190 -0.145 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 136 8.340 -2.356 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.042 -2.967 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.298 -2.616 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.489 -1.421 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.271 -1.886 -10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 136 6.961 -0.219 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.633 -0.797 -10.348 1.00 0.00 H new ATOM 1545 N SER A 137 6.352 -2.101 -5.235 1.00 0.00 N ATOM 1546 CA SER A 137 4.912 -2.310 -4.867 1.00 0.00 C ATOM 1547 C SER A 137 4.580 -2.270 -3.421 1.00 0.00 C ATOM 1548 O SER A 137 5.446 -2.407 -2.586 1.00 0.00 O ATOM 1549 CB SER A 137 4.453 -3.639 -5.503 1.00 0.00 C ATOM 1550 OG SER A 137 3.314 -4.063 -4.768 1.00 0.00 O ATOM 0 H SER A 137 7.025 -2.817 -4.961 1.00 0.00 H new ATOM 0 HA SER A 137 4.370 -1.450 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.207 -3.501 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.245 -4.386 -5.456 1.00 0.00 H new ATOM 0 HG SER A 137 3.539 -4.863 -4.249 1.00 0.00 H new ATOM 1556 N ILE A 138 3.314 -2.080 -3.159 1.00 0.00 N ATOM 1557 CA ILE A 138 2.945 -2.024 -1.740 1.00 0.00 C ATOM 1558 C ILE A 138 2.378 -3.299 -1.235 1.00 0.00 C ATOM 1559 O ILE A 138 1.659 -3.995 -1.912 1.00 0.00 O ATOM 1560 CB ILE A 138 1.993 -0.895 -1.588 1.00 0.00 C ATOM 1561 CG1 ILE A 138 2.940 0.278 -1.666 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.370 -0.970 -0.194 1.00 0.00 C ATOM 1563 CD1 ILE A 138 2.152 1.545 -1.758 1.00 0.00 C ATOM 0 H ILE A 138 2.561 -1.967 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 138 3.837 -1.866 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 138 1.175 -0.864 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.583 0.300 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.591 0.177 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.667 -0.147 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.844 -1.918 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 138 2.154 -0.899 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.833 2.394 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.527 1.521 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.520 1.645 -0.876 1.00 0.00 H new ATOM 1575 N HIS A 139 2.756 -3.518 -0.013 1.00 0.00 N ATOM 1576 CA HIS A 139 2.342 -4.728 0.733 1.00 0.00 C ATOM 1577 C HIS A 139 1.571 -4.248 1.935 1.00 0.00 C ATOM 1578 O HIS A 139 2.052 -4.191 3.048 1.00 0.00 O ATOM 1579 CB HIS A 139 3.628 -5.469 1.043 1.00 0.00 C ATOM 1580 CG HIS A 139 3.276 -6.860 1.556 1.00 0.00 C ATOM 1581 ND1 HIS A 139 4.135 -7.755 1.904 1.00 0.00 N ATOM 1582 CD2 HIS A 139 2.046 -7.469 1.743 1.00 0.00 C ATOM 1583 CE1 HIS A 139 3.510 -8.825 2.274 1.00 0.00 C ATOM 1584 NE2 HIS A 139 2.210 -8.695 2.194 1.00 0.00 N ATOM 0 H HIS A 139 3.356 -2.885 0.516 1.00 0.00 H new ATOM 0 HA HIS A 139 1.686 -5.417 0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 139 4.248 -5.541 0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 139 4.207 -4.926 1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.091 -7.005 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 139 4.005 -9.724 2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.493 -9.382 2.426 1.00 0.00 H new ATOM 1592 N CYS A 140 0.344 -3.932 1.623 1.00 0.00 N ATOM 1593 CA CYS A 140 -0.580 -3.408 2.660 1.00 0.00 C ATOM 1594 C CYS A 140 -1.294 -4.288 3.659 1.00 0.00 C ATOM 1595 O CYS A 140 -1.721 -5.409 3.427 1.00 0.00 O ATOM 1596 CB CYS A 140 -1.632 -2.585 1.949 1.00 0.00 C ATOM 1597 SG CYS A 140 -2.974 -1.874 2.938 1.00 0.00 S ATOM 0 H CYS A 140 -0.057 -4.016 0.689 1.00 0.00 H new ATOM 0 HA CYS A 140 0.127 -2.901 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -1.125 -1.767 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.082 -3.212 1.179 1.00 0.00 H new ATOM 0 HG CYS A 140 -2.493 -0.962 3.730 1.00 0.00 H new ATOM 1603 N THR A 141 -1.338 -3.595 4.771 1.00 0.00 N ATOM 1604 CA THR A 141 -1.945 -4.035 6.045 1.00 0.00 C ATOM 1605 C THR A 141 -2.688 -2.883 6.755 1.00 0.00 C ATOM 1606 O THR A 141 -3.571 -3.160 7.543 1.00 0.00 O ATOM 1607 CB THR A 141 -0.865 -4.553 6.950 1.00 0.00 C ATOM 1608 OG1 THR A 141 0.152 -3.563 6.901 1.00 0.00 O ATOM 1609 CG2 THR A 141 -0.278 -5.794 6.322 1.00 0.00 C ATOM 0 H THR A 141 -0.937 -2.659 4.836 1.00 0.00 H new ATOM 0 HA THR A 141 -2.671 -4.817 5.820 1.00 0.00 H new ATOM 0 HB THR A 141 -1.233 -4.763 7.954 1.00 0.00 H new ATOM 0 HG1 THR A 141 1.030 -3.997 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 141 0.510 -6.188 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 141 -1.059 -6.545 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 141 0.139 -5.546 5.346 1.00 0.00 H new ATOM 1617 N GLU A 142 -2.349 -1.634 6.482 1.00 0.00 N ATOM 1618 CA GLU A 142 -3.061 -0.518 7.175 1.00 0.00 C ATOM 1619 C GLU A 142 -3.915 0.216 6.172 1.00 0.00 C ATOM 1620 O GLU A 142 -3.552 0.374 5.026 1.00 0.00 O ATOM 1621 CB GLU A 142 -2.056 0.458 7.761 1.00 0.00 C ATOM 1622 CG GLU A 142 -2.795 1.677 8.353 1.00 0.00 C ATOM 1623 CD GLU A 142 -1.800 2.719 8.865 1.00 0.00 C ATOM 1624 OE1 GLU A 142 -0.615 2.434 8.819 1.00 0.00 O ATOM 1625 OE2 GLU A 142 -2.300 3.754 9.275 1.00 0.00 O ATOM 0 H GLU A 142 -1.624 -1.352 5.822 1.00 0.00 H new ATOM 0 HA GLU A 142 -3.677 -0.930 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -1.467 -0.033 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.359 0.784 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -3.437 2.123 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -3.443 1.355 9.168 1.00 0.00 H new ATOM 1632 N LEU A 143 -5.044 0.637 6.660 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.999 1.373 5.805 1.00 0.00 C ATOM 1634 C LEU A 143 -6.585 2.573 6.565 1.00 0.00 C ATOM 1635 O LEU A 143 -6.878 2.461 7.738 1.00 0.00 O ATOM 1636 CB LEU A 143 -7.046 0.360 5.411 1.00 0.00 C ATOM 1637 CG LEU A 143 -6.458 -0.615 4.384 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -6.014 -1.914 5.069 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -7.516 -0.899 3.350 1.00 0.00 C ATOM 0 H LEU A 143 -5.346 0.499 7.625 1.00 0.00 H new ATOM 0 HA LEU A 143 -5.530 1.797 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -7.388 -0.185 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -7.916 0.865 4.991 1.00 0.00 H new ATOM 0 HG LEU A 143 -5.580 -0.175 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.599 -2.594 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.255 -1.689 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.872 -2.383 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -7.122 -1.592 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.387 -1.342 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -7.806 0.031 2.861 1.00 0.00 H new ATOM 1651 N ARG A 144 -6.742 3.683 5.890 1.00 0.00 N ATOM 1652 CA ARG A 144 -7.308 4.891 6.576 1.00 0.00 C ATOM 1653 C ARG A 144 -8.344 5.609 5.703 1.00 0.00 C ATOM 1654 O ARG A 144 -8.061 5.941 4.571 1.00 0.00 O ATOM 1655 CB ARG A 144 -6.155 5.829 6.896 1.00 0.00 C ATOM 1656 CG ARG A 144 -6.595 6.909 7.879 1.00 0.00 C ATOM 1657 CD ARG A 144 -5.434 7.901 8.001 1.00 0.00 C ATOM 1658 NE ARG A 144 -4.198 7.141 8.351 1.00 0.00 N ATOM 1659 CZ ARG A 144 -3.176 7.180 7.537 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -2.468 8.274 7.466 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -2.894 6.124 6.822 1.00 0.00 N ATOM 0 H ARG A 144 -6.507 3.808 4.905 1.00 0.00 H new ATOM 0 HA ARG A 144 -7.821 4.579 7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -5.325 5.262 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.791 6.292 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -7.495 7.410 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.834 6.474 8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.295 8.439 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -5.651 8.646 8.767 1.00 0.00 H new ATOM 0 HE ARG A 144 -4.151 6.599 9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -2.716 9.080 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -1.667 8.323 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -3.468 5.285 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -2.100 6.139 6.182 1.00 0.00 H new ATOM 1675 N LEU A 145 -9.503 5.822 6.263 1.00 0.00 N ATOM 1676 CA LEU A 145 -10.650 6.495 5.609 1.00 0.00 C ATOM 1677 C LEU A 145 -10.876 7.942 6.058 1.00 0.00 C ATOM 1678 O LEU A 145 -11.380 8.156 7.144 1.00 0.00 O ATOM 1679 CB LEU A 145 -11.744 5.555 5.939 1.00 0.00 C ATOM 1680 CG LEU A 145 -11.800 5.135 7.378 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -13.231 4.944 7.743 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -11.145 3.740 7.554 1.00 0.00 C ATOM 0 H LEU A 145 -9.707 5.531 7.219 1.00 0.00 H new ATOM 0 HA LEU A 145 -10.524 6.657 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -12.694 6.018 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.638 4.665 5.319 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.295 5.888 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -13.303 4.638 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -13.771 5.881 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -13.669 4.174 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -11.192 3.446 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -11.679 3.008 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.103 3.784 7.236 1.00 0.00 H new ATOM 1694 N LEU A 146 -10.516 8.921 5.250 1.00 0.00 N ATOM 1695 CA LEU A 146 -10.667 10.254 5.569 1.00 0.00 C ATOM 1696 C LEU A 146 -11.379 10.969 4.391 1.00 0.00 C ATOM 1697 O LEU A 146 -11.914 10.560 3.379 1.00 0.00 O ATOM 1698 CB LEU A 146 -9.192 10.629 5.899 1.00 0.00 C ATOM 1699 CG LEU A 146 -8.426 10.259 4.678 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -7.205 10.931 4.595 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -8.110 8.751 4.565 1.00 0.00 C ATOM 0 H LEU A 146 -10.100 8.763 4.332 1.00 0.00 H new ATOM 0 HA LEU A 146 -11.308 10.538 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -9.094 11.692 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -8.831 10.086 6.773 1.00 0.00 H new ATOM 0 HG LEU A 146 -9.092 10.550 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -6.684 10.627 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -7.382 12.006 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.594 10.685 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -7.550 8.564 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -7.515 8.439 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -9.041 8.185 4.543 1.00 0.00 H new ATOM 1713 N THR A 147 -11.166 12.077 4.910 1.00 0.00 N ATOM 1714 CA THR A 147 -11.431 13.507 4.675 1.00 0.00 C ATOM 1715 C THR A 147 -10.332 14.397 4.293 1.00 0.00 C ATOM 1716 O THR A 147 -9.200 13.963 4.384 1.00 0.00 O ATOM 1717 CB THR A 147 -12.041 14.011 5.898 1.00 0.00 C ATOM 1718 OG1 THR A 147 -11.516 13.182 6.923 1.00 0.00 O ATOM 1719 CG2 THR A 147 -13.494 13.723 5.761 1.00 0.00 C ATOM 0 H THR A 147 -10.641 12.037 5.784 1.00 0.00 H new ATOM 0 HA THR A 147 -12.051 13.528 3.779 1.00 0.00 H new ATOM 0 HB THR A 147 -11.864 15.068 6.095 1.00 0.00 H new ATOM 0 HG1 THR A 147 -11.881 13.461 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 147 -14.020 14.076 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 147 -13.885 14.233 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 147 -13.643 12.649 5.654 1.00 0.00 H new ATOM 1727 N LYS A 148 -10.819 15.535 3.808 1.00 0.00 N ATOM 1728 CA LYS A 148 -10.091 16.776 3.324 1.00 0.00 C ATOM 1729 C LYS A 148 -10.514 17.629 4.428 1.00 0.00 C ATOM 1730 O LYS A 148 -9.853 18.230 5.253 1.00 0.00 O ATOM 1731 CB LYS A 148 -10.644 17.299 1.934 1.00 0.00 C ATOM 1732 CG LYS A 148 -11.083 18.740 1.906 1.00 0.00 C ATOM 1733 CD LYS A 148 -9.923 19.700 2.206 1.00 0.00 C ATOM 1734 CE LYS A 148 -10.514 21.091 2.431 1.00 0.00 C ATOM 1735 NZ LYS A 148 -11.416 21.061 3.618 1.00 0.00 N ATOM 0 H LYS A 148 -11.828 15.657 3.722 1.00 0.00 H new ATOM 0 HA LYS A 148 -9.022 16.683 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -9.869 17.160 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -11.489 16.675 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -11.502 18.972 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -11.877 18.891 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -9.373 19.371 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -9.216 19.715 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.715 21.817 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -11.068 21.410 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -11.389 21.983 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -12.389 20.860 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -11.101 20.319 4.275 1.00 0.00 H new ATOM 1749 N ALA A 149 -11.767 17.497 4.203 1.00 0.00 N ATOM 1750 CA ALA A 149 -12.879 18.115 4.960 1.00 0.00 C ATOM 1751 C ALA A 149 -12.465 18.614 6.346 1.00 0.00 C ATOM 1752 O ALA A 149 -12.723 17.888 7.290 1.00 0.00 O ATOM 1753 CB ALA A 149 -13.927 17.060 5.020 1.00 0.00 C ATOM 1754 OXT ALA A 149 -11.909 19.701 6.373 1.00 0.00 O ATOM 0 H ALA A 149 -12.107 16.918 3.435 1.00 0.00 H new ATOM 0 HA ALA A 149 -13.238 19.019 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -14.791 17.436 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -14.228 16.788 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -13.530 16.181 5.529 1.00 0.00 H new TER 1760 ALA A 149