USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 35 THR OG1 : rot -62:sc= 0.286 USER MOD Set 1.2: A 37 ASN : amide:sc= 1.05 K(o=1.2,f=0.58) USER MOD Set 1.3: A 59 ASN :FLIP amide:sc= -0.0918 F(o=0.58,f=1.2) USER MOD Single : A 1 SER N :NH3+ 130:sc= 0.046 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 176:sc= 0 (180deg=-0.016) USER MOD Single : A 10 SER OG : rot 140:sc= 0.546 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.467 USER MOD Single : A 22 ASN : amide:sc= 0.887 K(o=0.89,f=-0.72) USER MOD Single : A 23 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=-0.056) USER MOD Single : A 29 GLN : amide:sc= 1.17 K(o=1.2,f=-3.7!) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.465 USER MOD Single : A 54 THR OG1 : rot 157:sc= 0.451 USER MOD Single : A 57 CYS SG : rot 54:sc= -1.56 USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0226) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.16) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 2.45 (180deg=2.14) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.489 39.499 -60.548 1.00 0.00 N ATOM 2 CA SER A 1 17.439 38.080 -60.123 1.00 0.00 C ATOM 3 C SER A 1 16.006 37.620 -59.863 1.00 0.00 C ATOM 4 O SER A 1 15.139 38.434 -59.541 1.00 0.00 O ATOM 5 CB SER A 1 18.298 37.848 -58.875 1.00 0.00 C ATOM 6 OG SER A 1 19.624 38.287 -59.130 1.00 0.00 O ATOM 0 H1 SER A 1 18.190 40.009 -59.974 1.00 0.00 H new ATOM 0 H2 SER A 1 17.759 39.552 -61.551 1.00 0.00 H new ATOM 0 H3 SER A 1 16.553 39.934 -60.418 1.00 0.00 H new ATOM 0 HA SER A 1 17.843 37.487 -60.943 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.880 38.389 -58.026 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.297 36.791 -58.610 1.00 0.00 H new ATOM 0 HG SER A 1 20.176 38.142 -58.333 1.00 0.00 H new ATOM 14 N MET A 2 15.740 36.313 -59.985 1.00 0.00 N ATOM 15 CA MET A 2 14.434 35.693 -59.698 1.00 0.00 C ATOM 16 C MET A 2 14.072 35.833 -58.195 1.00 0.00 C ATOM 17 O MET A 2 14.949 35.678 -57.342 1.00 0.00 O ATOM 18 CB MET A 2 14.502 34.221 -60.156 1.00 0.00 C ATOM 19 CG MET A 2 13.156 33.493 -60.205 1.00 0.00 C ATOM 20 SD MET A 2 12.036 34.051 -61.524 1.00 0.00 S ATOM 21 CE MET A 2 10.590 33.031 -61.124 1.00 0.00 C ATOM 0 H MET A 2 16.441 35.639 -60.293 1.00 0.00 H new ATOM 0 HA MET A 2 13.637 36.199 -60.243 1.00 0.00 H new ATOM 0 HB2 MET A 2 14.953 34.186 -61.148 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.167 33.678 -59.484 1.00 0.00 H new ATOM 0 HG2 MET A 2 13.340 32.426 -60.331 1.00 0.00 H new ATOM 0 HG3 MET A 2 12.655 33.619 -59.245 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.767 33.289 -61.790 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.842 31.978 -61.250 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.291 33.212 -60.091 1.00 0.00 H new ATOM 31 N ALA A 3 12.828 36.117 -57.790 1.00 0.00 N ATOM 32 CA ALA A 3 11.614 36.286 -58.595 1.00 0.00 C ATOM 33 C ALA A 3 11.570 37.601 -59.402 1.00 0.00 C ATOM 34 O ALA A 3 11.750 38.692 -58.858 1.00 0.00 O ATOM 35 CB ALA A 3 10.399 36.154 -57.668 1.00 0.00 C ATOM 0 H ALA A 3 12.628 36.246 -56.798 1.00 0.00 H new ATOM 0 HA ALA A 3 11.605 35.503 -59.353 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.484 36.277 -58.248 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.403 35.169 -57.201 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.445 36.922 -56.896 1.00 0.00 H new ATOM 41 N ASP A 4 11.286 37.483 -60.704 1.00 0.00 N ATOM 42 CA ASP A 4 11.181 38.597 -61.665 1.00 0.00 C ATOM 43 C ASP A 4 10.060 38.365 -62.708 1.00 0.00 C ATOM 44 O ASP A 4 10.117 38.859 -63.838 1.00 0.00 O ATOM 45 CB ASP A 4 12.564 38.819 -62.309 1.00 0.00 C ATOM 46 CG ASP A 4 12.673 40.136 -63.102 1.00 0.00 C ATOM 47 OD1 ASP A 4 12.223 41.196 -62.601 1.00 0.00 O ATOM 48 OD2 ASP A 4 13.270 40.130 -64.207 1.00 0.00 O ATOM 0 H ASP A 4 11.116 36.576 -61.138 1.00 0.00 H new ATOM 0 HA ASP A 4 10.889 39.506 -61.140 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.324 38.811 -61.528 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.783 37.985 -62.975 1.00 0.00 H new ATOM 53 N ARG A 5 9.050 37.556 -62.347 1.00 0.00 N ATOM 54 CA ARG A 5 7.962 37.078 -63.225 1.00 0.00 C ATOM 55 C ARG A 5 6.591 37.179 -62.543 1.00 0.00 C ATOM 56 O ARG A 5 6.497 37.223 -61.316 1.00 0.00 O ATOM 57 CB ARG A 5 8.240 35.629 -63.676 1.00 0.00 C ATOM 58 CG ARG A 5 9.568 35.460 -64.435 1.00 0.00 C ATOM 59 CD ARG A 5 9.727 34.023 -64.950 1.00 0.00 C ATOM 60 NE ARG A 5 11.049 33.816 -65.575 1.00 0.00 N ATOM 61 CZ ARG A 5 11.390 34.044 -66.832 1.00 0.00 C ATOM 62 NH1 ARG A 5 10.549 34.511 -67.712 1.00 0.00 N ATOM 63 NH2 ARG A 5 12.605 33.806 -67.235 1.00 0.00 N ATOM 0 H ARG A 5 8.963 37.200 -61.395 1.00 0.00 H new ATOM 0 HA ARG A 5 7.935 37.724 -64.102 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.248 34.981 -62.800 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.422 35.293 -64.314 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.604 36.157 -65.273 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.401 35.709 -63.778 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.600 33.323 -64.124 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.942 33.806 -65.675 1.00 0.00 H new ATOM 0 HE ARG A 5 11.784 33.455 -64.967 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.587 34.715 -67.440 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.853 34.673 -68.672 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.297 33.442 -66.580 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.864 33.983 -68.205 1.00 0.00 H new ATOM 77 N VAL A 6 5.523 37.154 -63.344 1.00 0.00 N ATOM 78 CA VAL A 6 4.110 37.289 -62.911 1.00 0.00 C ATOM 79 C VAL A 6 3.441 35.955 -62.519 1.00 0.00 C ATOM 80 O VAL A 6 2.216 35.820 -62.565 1.00 0.00 O ATOM 81 CB VAL A 6 3.286 38.085 -63.950 1.00 0.00 C ATOM 82 CG1 VAL A 6 3.832 39.508 -64.119 1.00 0.00 C ATOM 83 CG2 VAL A 6 3.238 37.408 -65.327 1.00 0.00 C ATOM 0 H VAL A 6 5.611 37.035 -64.353 1.00 0.00 H new ATOM 0 HA VAL A 6 4.129 37.864 -61.985 1.00 0.00 H new ATOM 0 HB VAL A 6 2.271 38.118 -63.553 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.232 40.043 -64.856 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.785 40.031 -63.164 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.867 39.463 -64.458 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.645 38.016 -66.011 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.250 37.305 -65.717 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.784 36.422 -65.232 1.00 0.00 H new ATOM 93 N LEU A 7 4.237 34.947 -62.152 1.00 0.00 N ATOM 94 CA LEU A 7 3.775 33.589 -61.833 1.00 0.00 C ATOM 95 C LEU A 7 2.952 33.529 -60.530 1.00 0.00 C ATOM 96 O LEU A 7 3.193 34.285 -59.583 1.00 0.00 O ATOM 97 CB LEU A 7 4.982 32.627 -61.773 1.00 0.00 C ATOM 98 CG LEU A 7 5.798 32.510 -63.076 1.00 0.00 C ATOM 99 CD1 LEU A 7 6.997 31.587 -62.853 1.00 0.00 C ATOM 100 CD2 LEU A 7 4.978 31.956 -64.242 1.00 0.00 C ATOM 0 H LEU A 7 5.248 35.053 -62.066 1.00 0.00 H new ATOM 0 HA LEU A 7 3.102 33.275 -62.631 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.648 32.956 -60.975 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.622 31.635 -61.499 1.00 0.00 H new ATOM 0 HG LEU A 7 6.117 33.519 -63.335 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.571 31.507 -63.776 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.630 31.997 -62.066 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.645 30.599 -62.558 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.605 31.896 -65.132 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.612 30.961 -63.989 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.132 32.615 -64.438 1.00 0.00 H new ATOM 112 N ARG A 8 1.989 32.600 -60.488 1.00 0.00 N ATOM 113 CA ARG A 8 1.076 32.324 -59.358 1.00 0.00 C ATOM 114 C ARG A 8 1.342 30.946 -58.727 1.00 0.00 C ATOM 115 O ARG A 8 2.066 30.121 -59.287 1.00 0.00 O ATOM 116 CB ARG A 8 -0.386 32.459 -59.843 1.00 0.00 C ATOM 117 CG ARG A 8 -0.981 33.869 -59.687 1.00 0.00 C ATOM 118 CD ARG A 8 -0.392 34.924 -60.633 1.00 0.00 C ATOM 119 NE ARG A 8 -1.165 36.179 -60.549 1.00 0.00 N ATOM 120 CZ ARG A 8 -1.070 37.230 -61.344 1.00 0.00 C ATOM 121 NH1 ARG A 8 -0.181 37.312 -62.291 1.00 0.00 N ATOM 122 NH2 ARG A 8 -1.884 38.237 -61.200 1.00 0.00 N ATOM 0 H ARG A 8 1.811 31.984 -61.282 1.00 0.00 H new ATOM 0 HA ARG A 8 1.259 33.056 -58.571 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.435 32.172 -60.893 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.006 31.753 -59.290 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.057 33.814 -59.851 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.832 34.199 -58.659 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.650 35.113 -60.374 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.403 34.550 -61.657 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.848 36.242 -59.794 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.476 36.547 -62.441 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.142 38.142 -62.883 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.598 38.216 -60.472 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.808 39.047 -61.816 1.00 0.00 H new ATOM 136 N GLY A 9 0.736 30.700 -57.562 1.00 0.00 N ATOM 137 CA GLY A 9 0.755 29.412 -56.843 1.00 0.00 C ATOM 138 C GLY A 9 1.683 29.347 -55.620 1.00 0.00 C ATOM 139 O GLY A 9 1.642 28.361 -54.882 1.00 0.00 O ATOM 0 H GLY A 9 0.198 31.414 -57.072 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.260 29.183 -56.519 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.051 28.630 -57.543 1.00 0.00 H new ATOM 143 N SER A 10 2.486 30.386 -55.365 1.00 0.00 N ATOM 144 CA SER A 10 3.315 30.507 -54.154 1.00 0.00 C ATOM 145 C SER A 10 2.470 31.043 -52.980 1.00 0.00 C ATOM 146 O SER A 10 1.951 32.158 -53.060 1.00 0.00 O ATOM 147 CB SER A 10 4.513 31.428 -54.431 1.00 0.00 C ATOM 148 OG SER A 10 5.510 31.279 -53.431 1.00 0.00 O ATOM 0 H SER A 10 2.582 31.178 -56.000 1.00 0.00 H new ATOM 0 HA SER A 10 3.692 29.522 -53.879 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.936 31.197 -55.409 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.179 32.465 -54.465 1.00 0.00 H new ATOM 0 HG SER A 10 6.397 31.296 -53.848 1.00 0.00 H new ATOM 154 N ARG A 11 2.285 30.324 -51.864 1.00 0.00 N ATOM 155 CA ARG A 11 2.716 28.940 -51.542 1.00 0.00 C ATOM 156 C ARG A 11 1.729 28.184 -50.630 1.00 0.00 C ATOM 157 O ARG A 11 2.123 27.274 -49.899 1.00 0.00 O ATOM 158 CB ARG A 11 4.158 28.962 -50.989 1.00 0.00 C ATOM 159 CG ARG A 11 4.334 29.803 -49.707 1.00 0.00 C ATOM 160 CD ARG A 11 5.790 30.227 -49.479 1.00 0.00 C ATOM 161 NE ARG A 11 6.249 31.136 -50.549 1.00 0.00 N ATOM 162 CZ ARG A 11 7.311 31.916 -50.560 1.00 0.00 C ATOM 163 NH1 ARG A 11 8.130 32.004 -49.549 1.00 0.00 N ATOM 164 NH2 ARG A 11 7.559 32.625 -51.622 1.00 0.00 N ATOM 0 H ARG A 11 1.778 30.732 -51.078 1.00 0.00 H new ATOM 0 HA ARG A 11 2.712 28.364 -52.467 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.472 27.938 -50.784 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.824 29.351 -51.759 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.706 30.691 -49.770 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.988 29.228 -48.848 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.882 30.722 -48.512 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.429 29.345 -49.447 1.00 0.00 H new ATOM 0 HE ARG A 11 5.669 31.163 -51.388 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.960 31.456 -48.706 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.940 32.621 -49.601 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.936 32.571 -52.428 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.376 33.235 -51.649 1.00 0.00 H new ATOM 178 N LEU A 12 0.449 28.581 -50.655 1.00 0.00 N ATOM 179 CA LEU A 12 -0.647 28.059 -49.814 1.00 0.00 C ATOM 180 C LEU A 12 -0.329 28.089 -48.296 1.00 0.00 C ATOM 181 O LEU A 12 -0.695 27.191 -47.535 1.00 0.00 O ATOM 182 CB LEU A 12 -1.116 26.697 -50.381 1.00 0.00 C ATOM 183 CG LEU A 12 -2.511 26.210 -49.934 1.00 0.00 C ATOM 184 CD1 LEU A 12 -3.635 27.165 -50.346 1.00 0.00 C ATOM 185 CD2 LEU A 12 -2.799 24.849 -50.573 1.00 0.00 C ATOM 0 H LEU A 12 0.130 29.311 -51.292 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.502 28.732 -49.871 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.109 26.759 -51.469 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.384 25.940 -50.100 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.490 26.154 -48.846 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.592 26.770 -50.004 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.465 28.143 -49.896 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.650 27.263 -51.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.783 24.501 -50.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.776 24.945 -51.659 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.043 24.131 -50.256 1.00 0.00 H new ATOM 197 N GLY A 13 0.391 29.127 -47.861 1.00 0.00 N ATOM 198 CA GLY A 13 0.850 29.338 -46.485 1.00 0.00 C ATOM 199 C GLY A 13 1.804 30.533 -46.373 1.00 0.00 C ATOM 200 O GLY A 13 2.318 31.016 -47.385 1.00 0.00 O ATOM 0 H GLY A 13 0.683 29.877 -48.487 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.011 29.500 -45.837 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.352 28.439 -46.129 1.00 0.00 H new ATOM 204 N ALA A 14 2.025 31.024 -45.148 1.00 0.00 N ATOM 205 CA ALA A 14 2.863 32.195 -44.837 1.00 0.00 C ATOM 206 C ALA A 14 2.519 33.477 -45.643 1.00 0.00 C ATOM 207 O ALA A 14 3.389 34.303 -45.934 1.00 0.00 O ATOM 208 CB ALA A 14 4.344 31.784 -44.888 1.00 0.00 C ATOM 0 H ALA A 14 1.612 30.605 -44.315 1.00 0.00 H new ATOM 0 HA ALA A 14 2.633 32.510 -43.819 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.969 32.647 -44.659 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.529 30.997 -44.156 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.585 31.416 -45.885 1.00 0.00 H new ATOM 214 N VAL A 15 1.243 33.636 -46.019 1.00 0.00 N ATOM 215 CA VAL A 15 0.710 34.740 -46.840 1.00 0.00 C ATOM 216 C VAL A 15 -0.729 35.076 -46.439 1.00 0.00 C ATOM 217 O VAL A 15 -1.476 34.210 -45.976 1.00 0.00 O ATOM 218 CB VAL A 15 0.852 34.403 -48.344 1.00 0.00 C ATOM 219 CG1 VAL A 15 -0.062 33.265 -48.818 1.00 0.00 C ATOM 220 CG2 VAL A 15 0.621 35.623 -49.241 1.00 0.00 C ATOM 0 H VAL A 15 0.519 32.971 -45.749 1.00 0.00 H new ATOM 0 HA VAL A 15 1.297 35.640 -46.655 1.00 0.00 H new ATOM 0 HB VAL A 15 1.885 34.067 -48.439 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.097 33.090 -49.882 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.170 32.357 -48.262 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.103 33.539 -48.647 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.732 35.333 -50.286 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.385 36.010 -49.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.351 36.396 -48.999 1.00 0.00 H new ATOM 230 N SER A 16 -1.108 36.345 -46.581 1.00 0.00 N ATOM 231 CA SER A 16 -2.378 36.891 -46.088 1.00 0.00 C ATOM 232 C SER A 16 -3.522 36.737 -47.101 1.00 0.00 C ATOM 233 O SER A 16 -3.385 37.109 -48.270 1.00 0.00 O ATOM 234 CB SER A 16 -2.198 38.366 -45.716 1.00 0.00 C ATOM 235 OG SER A 16 -1.154 38.524 -44.762 1.00 0.00 O ATOM 0 H SER A 16 -0.530 37.041 -47.052 1.00 0.00 H new ATOM 0 HA SER A 16 -2.657 36.316 -45.205 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.970 38.946 -46.610 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.130 38.759 -45.310 1.00 0.00 H new ATOM 0 HG SER A 16 -1.055 39.473 -44.540 1.00 0.00 H new ATOM 241 N TYR A 17 -4.665 36.215 -46.644 1.00 0.00 N ATOM 242 CA TYR A 17 -5.915 36.068 -47.405 1.00 0.00 C ATOM 243 C TYR A 17 -7.139 36.005 -46.477 1.00 0.00 C ATOM 244 O TYR A 17 -7.008 35.885 -45.255 1.00 0.00 O ATOM 245 CB TYR A 17 -5.837 34.836 -48.330 1.00 0.00 C ATOM 246 CG TYR A 17 -5.396 33.537 -47.673 1.00 0.00 C ATOM 247 CD1 TYR A 17 -6.315 32.743 -46.959 1.00 0.00 C ATOM 248 CD2 TYR A 17 -4.057 33.120 -47.793 1.00 0.00 C ATOM 249 CE1 TYR A 17 -5.891 31.540 -46.359 1.00 0.00 C ATOM 250 CE2 TYR A 17 -3.628 31.920 -47.197 1.00 0.00 C ATOM 251 CZ TYR A 17 -4.544 31.125 -46.475 1.00 0.00 C ATOM 252 OH TYR A 17 -4.125 29.965 -45.900 1.00 0.00 O ATOM 0 H TYR A 17 -4.750 35.867 -45.689 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.040 36.953 -48.029 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.819 34.679 -48.777 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.148 35.061 -49.144 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.345 33.056 -46.871 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.354 33.725 -48.346 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.596 30.934 -45.810 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.599 31.607 -47.292 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.171 29.836 -46.081 1.00 0.00 H new ATOM 262 N GLU A 18 -8.341 36.106 -47.053 1.00 0.00 N ATOM 263 CA GLU A 18 -9.612 36.104 -46.317 1.00 0.00 C ATOM 264 C GLU A 18 -9.807 34.788 -45.538 1.00 0.00 C ATOM 265 O GLU A 18 -10.012 33.718 -46.119 1.00 0.00 O ATOM 266 CB GLU A 18 -10.768 36.387 -47.292 1.00 0.00 C ATOM 267 CG GLU A 18 -12.109 36.573 -46.570 1.00 0.00 C ATOM 268 CD GLU A 18 -13.220 36.961 -47.565 1.00 0.00 C ATOM 269 OE1 GLU A 18 -13.875 36.056 -48.139 1.00 0.00 O ATOM 270 OE2 GLU A 18 -13.454 38.176 -47.780 1.00 0.00 O ATOM 0 H GLU A 18 -8.462 36.193 -48.062 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.597 36.897 -45.570 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.542 37.283 -47.869 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.851 35.564 -48.001 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.381 35.651 -46.056 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.012 37.346 -45.808 1.00 0.00 H new ATOM 277 N THR A 19 -9.723 34.885 -44.208 1.00 0.00 N ATOM 278 CA THR A 19 -9.748 33.756 -43.258 1.00 0.00 C ATOM 279 C THR A 19 -10.925 33.883 -42.284 1.00 0.00 C ATOM 280 O THR A 19 -11.210 34.970 -41.777 1.00 0.00 O ATOM 281 CB THR A 19 -8.409 33.681 -42.496 1.00 0.00 C ATOM 282 OG1 THR A 19 -7.332 33.550 -43.401 1.00 0.00 O ATOM 283 CG2 THR A 19 -8.317 32.488 -41.543 1.00 0.00 C ATOM 0 H THR A 19 -9.632 35.786 -43.739 1.00 0.00 H new ATOM 0 HA THR A 19 -9.884 32.832 -43.820 1.00 0.00 H new ATOM 0 HB THR A 19 -8.358 34.606 -41.922 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.268 34.358 -43.952 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.350 32.497 -41.041 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.112 32.553 -40.800 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.424 31.562 -42.108 1.00 0.00 H new ATOM 291 N ASP A 20 -11.606 32.774 -41.984 1.00 0.00 N ATOM 292 CA ASP A 20 -12.811 32.718 -41.137 1.00 0.00 C ATOM 293 C ASP A 20 -12.477 32.676 -39.629 1.00 0.00 C ATOM 294 O ASP A 20 -12.867 31.754 -38.908 1.00 0.00 O ATOM 295 CB ASP A 20 -13.716 31.562 -41.595 1.00 0.00 C ATOM 296 CG ASP A 20 -14.316 31.829 -42.980 1.00 0.00 C ATOM 297 OD1 ASP A 20 -15.177 32.736 -43.088 1.00 0.00 O ATOM 298 OD2 ASP A 20 -13.947 31.131 -43.956 1.00 0.00 O ATOM 0 H ASP A 20 -11.328 31.857 -42.333 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.368 33.646 -41.267 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.141 30.637 -41.620 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.519 31.419 -40.872 1.00 0.00 H new ATOM 303 N ARG A 21 -11.725 33.686 -39.161 1.00 0.00 N ATOM 304 CA ARG A 21 -11.278 33.907 -37.766 1.00 0.00 C ATOM 305 C ARG A 21 -10.643 32.689 -37.067 1.00 0.00 C ATOM 306 O ARG A 21 -10.733 32.553 -35.845 1.00 0.00 O ATOM 307 CB ARG A 21 -12.366 34.629 -36.938 1.00 0.00 C ATOM 308 CG ARG A 21 -13.665 33.834 -36.699 1.00 0.00 C ATOM 309 CD ARG A 21 -14.556 34.545 -35.675 1.00 0.00 C ATOM 310 NE ARG A 21 -15.823 33.820 -35.454 1.00 0.00 N ATOM 311 CZ ARG A 21 -16.701 34.036 -34.495 1.00 0.00 C ATOM 312 NH1 ARG A 21 -16.572 34.980 -33.610 1.00 0.00 N ATOM 313 NH2 ARG A 21 -17.740 33.273 -34.397 1.00 0.00 N ATOM 0 H ARG A 21 -11.389 34.420 -39.784 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.427 34.585 -37.834 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.942 34.895 -35.970 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.620 35.561 -37.442 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.204 33.718 -37.639 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.424 32.832 -36.344 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.021 34.638 -34.730 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.771 35.556 -36.020 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.042 33.073 -36.113 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.760 35.597 -33.637 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.282 35.103 -32.888 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.876 32.509 -35.059 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.423 33.435 -33.657 1.00 0.00 H new ATOM 327 N ASN A 22 -10.002 31.804 -37.835 1.00 0.00 N ATOM 328 CA ASN A 22 -9.503 30.503 -37.377 1.00 0.00 C ATOM 329 C ASN A 22 -8.005 30.272 -37.664 1.00 0.00 C ATOM 330 O ASN A 22 -7.471 30.693 -38.692 1.00 0.00 O ATOM 331 CB ASN A 22 -10.391 29.392 -37.976 1.00 0.00 C ATOM 332 CG ASN A 22 -10.170 29.133 -39.462 1.00 0.00 C ATOM 333 OD1 ASN A 22 -10.263 30.017 -40.301 1.00 0.00 O ATOM 334 ND2 ASN A 22 -9.884 27.907 -39.837 1.00 0.00 N ATOM 0 H ASN A 22 -9.810 31.977 -38.822 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.571 30.482 -36.289 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.211 28.467 -37.429 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.437 29.657 -37.819 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.741 27.696 -40.825 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.805 27.166 -39.141 1.00 0.00 H new ATOM 341 N HIS A 23 -7.353 29.523 -36.768 1.00 0.00 N ATOM 342 CA HIS A 23 -6.032 28.890 -36.955 1.00 0.00 C ATOM 343 C HIS A 23 -6.104 27.371 -36.667 1.00 0.00 C ATOM 344 O HIS A 23 -5.129 26.723 -36.286 1.00 0.00 O ATOM 345 CB HIS A 23 -4.990 29.642 -36.107 1.00 0.00 C ATOM 346 CG HIS A 23 -3.556 29.313 -36.451 1.00 0.00 C ATOM 347 ND1 HIS A 23 -2.969 29.459 -37.714 1.00 0.00 N ATOM 348 CD2 HIS A 23 -2.612 28.849 -35.581 1.00 0.00 C ATOM 349 CE1 HIS A 23 -1.688 29.072 -37.573 1.00 0.00 C ATOM 350 NE2 HIS A 23 -1.448 28.700 -36.303 1.00 0.00 N ATOM 0 H HIS A 23 -7.746 29.329 -35.847 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.714 28.967 -37.995 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.144 30.714 -36.229 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.161 29.413 -35.055 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.751 28.639 -34.531 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.956 29.062 -38.367 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.557 28.365 -35.937 1.00 0.00 H new ATOM 358 N ASP A 24 -7.314 26.819 -36.789 1.00 0.00 N ATOM 359 CA ASP A 24 -7.737 25.469 -36.404 1.00 0.00 C ATOM 360 C ASP A 24 -8.981 25.015 -37.183 1.00 0.00 C ATOM 361 O ASP A 24 -9.650 25.825 -37.838 1.00 0.00 O ATOM 362 CB ASP A 24 -8.048 25.447 -34.891 1.00 0.00 C ATOM 363 CG ASP A 24 -7.807 24.095 -34.199 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.426 23.105 -34.867 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.054 24.023 -32.969 1.00 0.00 O ATOM 0 H ASP A 24 -8.087 27.348 -37.193 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.924 24.782 -36.640 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.438 26.204 -34.399 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.090 25.733 -34.745 1.00 0.00 H new ATOM 370 N LEU A 25 -9.332 23.736 -37.046 1.00 0.00 N ATOM 371 CA LEU A 25 -10.683 23.243 -37.302 1.00 0.00 C ATOM 372 C LEU A 25 -11.588 23.536 -36.094 1.00 0.00 C ATOM 373 O LEU A 25 -11.089 23.716 -34.981 1.00 0.00 O ATOM 374 CB LEU A 25 -10.617 21.765 -37.734 1.00 0.00 C ATOM 375 CG LEU A 25 -10.112 20.747 -36.690 1.00 0.00 C ATOM 376 CD1 LEU A 25 -11.193 20.292 -35.704 1.00 0.00 C ATOM 377 CD2 LEU A 25 -9.609 19.489 -37.405 1.00 0.00 C ATOM 0 H LEU A 25 -8.681 23.008 -36.752 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.147 23.771 -38.135 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.615 21.460 -38.048 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.973 21.698 -38.611 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.327 21.258 -36.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.766 19.578 -35.000 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.574 21.155 -35.158 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.009 19.819 -36.251 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.252 18.770 -36.668 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.423 19.047 -37.979 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.793 19.754 -38.077 1.00 0.00 H new ATOM 389 N ALA A 26 -12.907 23.594 -36.300 1.00 0.00 N ATOM 390 CA ALA A 26 -13.895 23.893 -35.253 1.00 0.00 C ATOM 391 C ALA A 26 -13.561 25.164 -34.417 1.00 0.00 C ATOM 392 O ALA A 26 -13.318 25.055 -33.207 1.00 0.00 O ATOM 393 CB ALA A 26 -14.102 22.621 -34.415 1.00 0.00 C ATOM 0 H ALA A 26 -13.328 23.432 -37.215 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.842 24.164 -35.719 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.832 22.817 -33.630 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.466 21.818 -35.056 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.155 22.324 -33.964 1.00 0.00 H new ATOM 399 N PRO A 27 -13.478 26.362 -35.041 1.00 0.00 N ATOM 400 CA PRO A 27 -13.104 27.612 -34.381 1.00 0.00 C ATOM 401 C PRO A 27 -13.990 27.991 -33.190 1.00 0.00 C ATOM 402 O PRO A 27 -15.167 27.629 -33.096 1.00 0.00 O ATOM 403 CB PRO A 27 -13.118 28.705 -35.456 1.00 0.00 C ATOM 404 CG PRO A 27 -13.933 28.101 -36.597 1.00 0.00 C ATOM 405 CD PRO A 27 -13.636 26.613 -36.462 1.00 0.00 C ATOM 0 HA PRO A 27 -12.115 27.488 -33.941 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.573 29.623 -35.084 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.108 28.958 -35.779 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.997 28.314 -36.493 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.624 28.490 -37.567 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.448 26.014 -36.876 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.732 26.345 -37.008 1.00 0.00 H new ATOM 413 N ARG A 28 -13.366 28.718 -32.262 1.00 0.00 N ATOM 414 CA ARG A 28 -13.913 29.098 -30.949 1.00 0.00 C ATOM 415 C ARG A 28 -13.571 30.523 -30.478 1.00 0.00 C ATOM 416 O ARG A 28 -12.713 31.193 -31.049 1.00 0.00 O ATOM 417 CB ARG A 28 -13.528 28.001 -29.945 1.00 0.00 C ATOM 418 CG ARG A 28 -12.019 27.937 -29.651 1.00 0.00 C ATOM 419 CD ARG A 28 -11.566 26.522 -29.273 1.00 0.00 C ATOM 420 NE ARG A 28 -11.579 25.629 -30.453 1.00 0.00 N ATOM 421 CZ ARG A 28 -10.547 25.107 -31.091 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.306 25.243 -30.727 1.00 0.00 N ATOM 423 NH2 ARG A 28 -10.729 24.416 -32.168 1.00 0.00 N ATOM 0 H ARG A 28 -12.422 29.077 -32.407 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.998 29.158 -31.036 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.065 28.170 -29.011 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.856 27.036 -30.331 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.465 28.273 -30.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.779 28.623 -28.839 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.562 26.558 -28.851 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.222 26.120 -28.501 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.500 25.386 -30.819 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.075 25.785 -29.894 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.563 24.808 -31.274 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.672 24.272 -32.528 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.929 24.015 -32.658 1.00 0.00 H new ATOM 437 N GLN A 29 -14.258 30.967 -29.423 1.00 0.00 N ATOM 438 CA GLN A 29 -14.206 32.292 -28.791 1.00 0.00 C ATOM 439 C GLN A 29 -14.158 32.137 -27.265 1.00 0.00 C ATOM 440 O GLN A 29 -15.156 31.802 -26.629 1.00 0.00 O ATOM 441 CB GLN A 29 -15.460 33.125 -29.132 1.00 0.00 C ATOM 442 CG GLN A 29 -15.772 33.292 -30.627 1.00 0.00 C ATOM 443 CD GLN A 29 -17.165 32.780 -30.962 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.001 33.477 -31.524 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.435 31.538 -30.636 1.00 0.00 N ATOM 0 H GLN A 29 -14.923 30.358 -28.946 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.316 32.797 -29.165 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.321 32.662 -28.651 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.344 34.116 -28.693 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.693 34.344 -30.902 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.032 32.752 -31.218 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.730 30.969 -30.168 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.350 31.142 -30.850 1.00 0.00 H new ATOM 454 N ILE A 30 -13.005 32.384 -26.658 1.00 0.00 N ATOM 455 CA ILE A 30 -12.848 32.423 -25.206 1.00 0.00 C ATOM 456 C ILE A 30 -13.264 33.809 -24.704 1.00 0.00 C ATOM 457 O ILE A 30 -12.541 34.794 -24.878 1.00 0.00 O ATOM 458 CB ILE A 30 -11.410 32.047 -24.791 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.022 30.589 -25.122 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.250 32.194 -23.265 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.130 30.103 -26.570 1.00 0.00 C ATOM 0 H ILE A 30 -12.139 32.566 -27.165 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.495 31.680 -24.741 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.767 32.722 -25.356 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.991 30.442 -24.802 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.643 29.936 -24.508 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.233 31.927 -22.978 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.450 33.226 -22.976 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.954 31.533 -22.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.820 29.059 -26.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.162 30.195 -26.909 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.484 30.709 -27.206 1.00 0.00 H new ATOM 473 N ALA A 31 -14.415 33.860 -24.041 1.00 0.00 N ATOM 474 CA ALA A 31 -14.817 34.972 -23.189 1.00 0.00 C ATOM 475 C ALA A 31 -14.497 34.670 -21.715 1.00 0.00 C ATOM 476 O ALA A 31 -14.280 33.519 -21.329 1.00 0.00 O ATOM 477 CB ALA A 31 -16.305 35.255 -23.412 1.00 0.00 C ATOM 0 H ALA A 31 -15.108 33.113 -24.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.253 35.867 -23.452 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.616 36.086 -22.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.474 35.513 -24.458 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.886 34.368 -23.159 1.00 0.00 H new ATOM 483 N ARG A 32 -14.477 35.705 -20.874 1.00 0.00 N ATOM 484 CA ARG A 32 -14.287 35.608 -19.419 1.00 0.00 C ATOM 485 C ARG A 32 -15.471 36.190 -18.663 1.00 0.00 C ATOM 486 O ARG A 32 -16.115 37.119 -19.145 1.00 0.00 O ATOM 487 CB ARG A 32 -12.965 36.289 -19.036 1.00 0.00 C ATOM 488 CG ARG A 32 -11.809 35.279 -19.058 1.00 0.00 C ATOM 489 CD ARG A 32 -10.509 35.908 -19.556 1.00 0.00 C ATOM 490 NE ARG A 32 -10.538 36.018 -21.029 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.623 35.648 -21.905 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.440 35.230 -21.556 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.904 35.696 -23.174 1.00 0.00 N ATOM 0 H ARG A 32 -14.596 36.666 -21.193 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.232 34.558 -19.133 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.756 37.104 -19.729 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.051 36.729 -18.043 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.658 34.879 -18.055 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.074 34.438 -19.699 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.378 36.894 -19.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.658 35.302 -19.244 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.380 36.437 -21.423 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.188 35.178 -20.569 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.765 34.954 -22.270 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.822 36.017 -23.481 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.206 35.413 -23.862 1.00 0.00 H new ATOM 507 N TYR A 33 -15.733 35.654 -17.473 1.00 0.00 N ATOM 508 CA TYR A 33 -16.862 36.037 -16.621 1.00 0.00 C ATOM 509 C TYR A 33 -16.476 36.075 -15.132 1.00 0.00 C ATOM 510 O TYR A 33 -15.760 35.196 -14.652 1.00 0.00 O ATOM 511 CB TYR A 33 -18.033 35.077 -16.834 1.00 0.00 C ATOM 512 CG TYR A 33 -18.623 35.025 -18.226 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.006 34.269 -19.239 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.826 35.699 -18.488 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.612 34.167 -20.504 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.430 35.604 -19.752 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.844 34.806 -20.749 1.00 0.00 C ATOM 518 OH TYR A 33 -20.492 34.639 -21.927 1.00 0.00 O ATOM 0 H TYR A 33 -15.153 34.923 -17.062 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.160 37.045 -16.909 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.703 34.073 -16.566 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.827 35.348 -16.138 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.069 33.768 -19.046 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.289 36.293 -17.714 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.133 33.599 -21.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.343 36.143 -19.957 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.197 35.314 -22.011 1.00 0.00 H new ATOM 528 N ARG A 34 -16.970 37.084 -14.401 1.00 0.00 N ATOM 529 CA ARG A 34 -16.729 37.330 -12.963 1.00 0.00 C ATOM 530 C ARG A 34 -17.964 36.990 -12.128 1.00 0.00 C ATOM 531 O ARG A 34 -19.044 37.515 -12.394 1.00 0.00 O ATOM 532 CB ARG A 34 -16.323 38.804 -12.775 1.00 0.00 C ATOM 533 CG ARG A 34 -15.977 39.183 -11.327 1.00 0.00 C ATOM 534 CD ARG A 34 -15.474 40.630 -11.291 1.00 0.00 C ATOM 535 NE ARG A 34 -15.164 41.077 -9.920 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.978 41.138 -9.336 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.870 40.775 -9.916 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.884 41.578 -8.113 1.00 0.00 N ATOM 0 H ARG A 34 -17.580 37.790 -14.813 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.923 36.683 -12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.462 39.016 -13.409 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.138 39.440 -13.120 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.855 39.075 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.214 38.510 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.582 40.718 -11.911 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.229 41.286 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.959 41.375 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.887 40.421 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.985 40.845 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.722 41.873 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.973 41.627 -7.657 1.00 0.00 H new ATOM 552 N THR A 35 -17.807 36.139 -11.119 1.00 0.00 N ATOM 553 CA THR A 35 -18.888 35.702 -10.213 1.00 0.00 C ATOM 554 C THR A 35 -19.150 36.723 -9.107 1.00 0.00 C ATOM 555 O THR A 35 -18.442 37.724 -8.971 1.00 0.00 O ATOM 556 CB THR A 35 -18.620 34.339 -9.571 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.469 34.381 -8.782 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.465 33.241 -10.601 1.00 0.00 C ATOM 0 H THR A 35 -16.905 35.718 -10.895 1.00 0.00 H new ATOM 0 HA THR A 35 -19.770 35.614 -10.848 1.00 0.00 H new ATOM 0 HB THR A 35 -19.489 34.113 -8.953 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.694 34.589 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.276 32.293 -10.097 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.379 33.163 -11.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.628 33.475 -11.259 1.00 0.00 H new ATOM 566 N ASP A 36 -20.139 36.448 -8.257 1.00 0.00 N ATOM 567 CA ASP A 36 -20.531 37.354 -7.179 1.00 0.00 C ATOM 568 C ASP A 36 -19.525 37.405 -6.012 1.00 0.00 C ATOM 569 O ASP A 36 -19.549 38.365 -5.238 1.00 0.00 O ATOM 570 CB ASP A 36 -21.948 36.990 -6.716 1.00 0.00 C ATOM 571 CG ASP A 36 -22.547 38.033 -5.755 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.787 39.187 -6.188 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.823 37.693 -4.579 1.00 0.00 O ATOM 0 H ASP A 36 -20.691 35.591 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.528 38.370 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.596 36.891 -7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.926 36.018 -6.223 1.00 0.00 H new ATOM 578 N ASN A 37 -18.586 36.446 -5.915 1.00 0.00 N ATOM 579 CA ASN A 37 -17.470 36.558 -4.959 1.00 0.00 C ATOM 580 C ASN A 37 -16.244 37.293 -5.560 1.00 0.00 C ATOM 581 O ASN A 37 -15.205 37.405 -4.906 1.00 0.00 O ATOM 582 CB ASN A 37 -17.066 35.193 -4.391 1.00 0.00 C ATOM 583 CG ASN A 37 -18.179 34.214 -4.070 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.270 34.548 -3.629 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.896 32.947 -4.262 1.00 0.00 N ATOM 0 H ASN A 37 -18.577 35.596 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.838 37.168 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.394 34.717 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.494 35.364 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.589 32.231 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.983 32.678 -4.630 1.00 0.00 H new ATOM 592 N GLY A 38 -16.332 37.737 -6.820 1.00 0.00 N ATOM 593 CA GLY A 38 -15.209 38.222 -7.631 1.00 0.00 C ATOM 594 C GLY A 38 -14.388 37.128 -8.313 1.00 0.00 C ATOM 595 O GLY A 38 -13.341 37.429 -8.885 1.00 0.00 O ATOM 0 H GLY A 38 -17.220 37.769 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.596 38.895 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.547 38.809 -6.995 1.00 0.00 H new ATOM 599 N GLU A 39 -14.821 35.865 -8.250 1.00 0.00 N ATOM 600 CA GLU A 39 -14.075 34.750 -8.849 1.00 0.00 C ATOM 601 C GLU A 39 -14.236 34.801 -10.373 1.00 0.00 C ATOM 602 O GLU A 39 -15.356 34.729 -10.880 1.00 0.00 O ATOM 603 CB GLU A 39 -14.523 33.382 -8.301 1.00 0.00 C ATOM 604 CG GLU A 39 -14.915 33.401 -6.819 1.00 0.00 C ATOM 605 CD GLU A 39 -14.691 32.101 -6.022 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.905 31.213 -6.432 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.305 31.995 -4.932 1.00 0.00 O ATOM 0 H GLU A 39 -15.687 35.587 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.024 34.862 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.372 33.028 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.716 32.663 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.356 34.199 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.971 33.663 -6.751 1.00 0.00 H new ATOM 614 N GLU A 40 -13.135 34.932 -11.107 1.00 0.00 N ATOM 615 CA GLU A 40 -13.138 35.045 -12.573 1.00 0.00 C ATOM 616 C GLU A 40 -12.739 33.727 -13.252 1.00 0.00 C ATOM 617 O GLU A 40 -11.715 33.119 -12.922 1.00 0.00 O ATOM 618 CB GLU A 40 -12.217 36.189 -13.026 1.00 0.00 C ATOM 619 CG GLU A 40 -12.926 37.538 -12.883 1.00 0.00 C ATOM 620 CD GLU A 40 -12.005 38.753 -13.101 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.067 38.696 -13.933 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.238 39.791 -12.434 1.00 0.00 O ATOM 0 H GLU A 40 -12.200 34.964 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.159 35.271 -12.881 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.304 36.186 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.921 36.036 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.747 37.584 -13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.367 37.602 -11.888 1.00 0.00 H new ATOM 629 N PHE A 41 -13.554 33.310 -14.224 1.00 0.00 N ATOM 630 CA PHE A 41 -13.400 32.084 -15.016 1.00 0.00 C ATOM 631 C PHE A 41 -13.453 32.372 -16.523 1.00 0.00 C ATOM 632 O PHE A 41 -13.915 33.430 -16.955 1.00 0.00 O ATOM 633 CB PHE A 41 -14.486 31.074 -14.617 1.00 0.00 C ATOM 634 CG PHE A 41 -14.386 30.587 -13.183 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.004 31.291 -12.131 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.648 29.422 -12.895 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.866 30.831 -10.817 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.489 28.984 -11.568 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.100 29.692 -10.524 1.00 0.00 C ATOM 0 H PHE A 41 -14.380 33.843 -14.494 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.418 31.660 -14.805 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.464 31.531 -14.766 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.431 30.215 -15.285 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.581 32.180 -12.338 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.200 28.860 -13.701 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.357 31.361 -10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.898 28.105 -11.354 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.982 29.364 -9.502 1.00 0.00 H new ATOM 649 N GLU A 42 -13.007 31.410 -17.332 1.00 0.00 N ATOM 650 CA GLU A 42 -12.976 31.486 -18.792 1.00 0.00 C ATOM 651 C GLU A 42 -13.959 30.477 -19.397 1.00 0.00 C ATOM 652 O GLU A 42 -13.989 29.309 -18.994 1.00 0.00 O ATOM 653 CB GLU A 42 -11.560 31.250 -19.352 1.00 0.00 C ATOM 654 CG GLU A 42 -10.408 31.937 -18.600 1.00 0.00 C ATOM 655 CD GLU A 42 -9.718 30.982 -17.603 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.784 30.248 -18.013 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.090 30.961 -16.405 1.00 0.00 O ATOM 0 H GLU A 42 -12.645 30.526 -16.975 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.276 32.495 -19.073 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.370 30.177 -19.362 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.541 31.587 -20.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.674 32.304 -19.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.792 32.805 -18.064 1.00 0.00 H new ATOM 664 N VAL A 43 -14.746 30.918 -20.377 1.00 0.00 N ATOM 665 CA VAL A 43 -15.745 30.099 -21.084 1.00 0.00 C ATOM 666 C VAL A 43 -15.455 30.087 -22.595 1.00 0.00 C ATOM 667 O VAL A 43 -15.632 31.114 -23.258 1.00 0.00 O ATOM 668 CB VAL A 43 -17.180 30.580 -20.804 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.200 29.620 -21.424 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.481 30.713 -19.305 1.00 0.00 C ATOM 0 H VAL A 43 -14.710 31.880 -20.715 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.667 29.080 -20.705 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.262 31.568 -21.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.209 29.977 -21.216 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.047 29.573 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.071 28.626 -20.996 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.507 31.055 -19.169 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.355 29.744 -18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.796 31.434 -18.859 1.00 0.00 H new ATOM 680 N PRO A 44 -15.012 28.949 -23.165 1.00 0.00 N ATOM 681 CA PRO A 44 -14.859 28.776 -24.607 1.00 0.00 C ATOM 682 C PRO A 44 -16.214 28.501 -25.292 1.00 0.00 C ATOM 683 O PRO A 44 -16.886 27.506 -25.010 1.00 0.00 O ATOM 684 CB PRO A 44 -13.868 27.619 -24.771 1.00 0.00 C ATOM 685 CG PRO A 44 -14.075 26.773 -23.515 1.00 0.00 C ATOM 686 CD PRO A 44 -14.518 27.778 -22.450 1.00 0.00 C ATOM 0 HA PRO A 44 -14.487 29.679 -25.091 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.070 27.046 -25.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.842 27.980 -24.845 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.830 26.003 -23.674 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.157 26.263 -23.223 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.297 27.354 -21.816 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.686 28.044 -21.798 1.00 0.00 H new ATOM 694 N PHE A 45 -16.592 29.372 -26.228 1.00 0.00 N ATOM 695 CA PHE A 45 -17.768 29.263 -27.104 1.00 0.00 C ATOM 696 C PHE A 45 -17.366 28.831 -28.514 1.00 0.00 C ATOM 697 O PHE A 45 -16.356 29.293 -29.031 1.00 0.00 O ATOM 698 CB PHE A 45 -18.479 30.620 -27.171 1.00 0.00 C ATOM 699 CG PHE A 45 -19.272 30.948 -25.925 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.633 31.554 -24.828 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.646 -25.857 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.368 31.861 -23.674 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.376 30.942 -24.692 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.733 31.546 -23.597 1.00 0.00 C ATOM 0 H PHE A 45 -16.058 30.222 -26.409 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.437 28.508 -26.691 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.738 31.402 -27.337 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.149 30.628 -28.031 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.578 31.782 -24.875 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.141 30.187 -26.701 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.880 32.343 -22.839 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.428 30.706 -24.638 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.289 31.767 -22.698 1.00 0.00 H new ATOM 714 N ALA A 46 -18.176 28.022 -29.189 1.00 0.00 N ATOM 715 CA ALA A 46 -17.936 27.600 -30.571 1.00 0.00 C ATOM 716 C ALA A 46 -18.423 28.657 -31.578 1.00 0.00 C ATOM 717 O ALA A 46 -19.284 29.475 -31.260 1.00 0.00 O ATOM 718 CB ALA A 46 -18.590 26.232 -30.781 1.00 0.00 C ATOM 0 H ALA A 46 -19.030 27.634 -28.789 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.865 27.504 -30.750 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.421 25.902 -31.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.154 25.510 -30.091 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.661 26.309 -30.596 1.00 0.00 H new ATOM 724 N ASP A 47 -17.888 28.646 -32.801 1.00 0.00 N ATOM 725 CA ASP A 47 -18.189 29.615 -33.870 1.00 0.00 C ATOM 726 C ASP A 47 -19.681 29.670 -34.266 1.00 0.00 C ATOM 727 O ASP A 47 -20.142 30.674 -34.811 1.00 0.00 O ATOM 728 CB ASP A 47 -17.309 29.261 -35.080 1.00 0.00 C ATOM 729 CG ASP A 47 -17.550 30.156 -36.305 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.167 31.350 -36.253 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.094 29.664 -37.322 1.00 0.00 O ATOM 0 H ASP A 47 -17.210 27.941 -33.089 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.967 30.615 -33.497 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.261 29.334 -34.789 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.491 28.223 -35.359 1.00 0.00 H new ATOM 736 N ASP A 48 -20.452 28.623 -33.952 1.00 0.00 N ATOM 737 CA ASP A 48 -21.909 28.569 -34.165 1.00 0.00 C ATOM 738 C ASP A 48 -22.737 29.215 -33.034 1.00 0.00 C ATOM 739 O ASP A 48 -23.940 29.447 -33.187 1.00 0.00 O ATOM 740 CB ASP A 48 -22.336 27.119 -34.404 1.00 0.00 C ATOM 741 CG ASP A 48 -22.212 26.227 -33.158 1.00 0.00 C ATOM 742 OD1 ASP A 48 -21.110 25.683 -32.921 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.218 26.052 -32.428 1.00 0.00 O ATOM 0 H ASP A 48 -20.077 27.771 -33.534 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.121 29.172 -35.048 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.370 27.106 -34.748 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.728 26.697 -35.204 1.00 0.00 H new ATOM 748 N ALA A 49 -22.084 29.520 -31.913 1.00 0.00 N ATOM 749 CA ALA A 49 -22.636 30.193 -30.737 1.00 0.00 C ATOM 750 C ALA A 49 -22.146 31.651 -30.622 1.00 0.00 C ATOM 751 O ALA A 49 -21.127 32.036 -31.200 1.00 0.00 O ATOM 752 CB ALA A 49 -22.288 29.368 -29.490 1.00 0.00 C ATOM 0 H ALA A 49 -21.097 29.290 -31.794 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.720 30.254 -30.835 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.693 29.858 -28.605 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.718 28.371 -29.582 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.205 29.289 -29.397 1.00 0.00 H new ATOM 758 N GLU A 50 -22.863 32.466 -29.845 1.00 0.00 N ATOM 759 CA GLU A 50 -22.531 33.871 -29.569 1.00 0.00 C ATOM 760 C GLU A 50 -22.609 34.172 -28.065 1.00 0.00 C ATOM 761 O GLU A 50 -23.541 33.732 -27.392 1.00 0.00 O ATOM 762 CB GLU A 50 -23.481 34.810 -30.330 1.00 0.00 C ATOM 763 CG GLU A 50 -23.182 34.868 -31.830 1.00 0.00 C ATOM 764 CD GLU A 50 -24.308 35.596 -32.586 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.474 36.825 -32.389 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.033 34.952 -33.383 1.00 0.00 O ATOM 0 H GLU A 50 -23.716 32.161 -29.376 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.509 34.041 -29.908 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.509 34.478 -30.182 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.406 35.813 -29.910 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.235 35.382 -31.997 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.070 33.857 -32.222 1.00 0.00 H new ATOM 773 N ILE A 51 -21.641 34.944 -27.561 1.00 0.00 N ATOM 774 CA ILE A 51 -21.419 35.307 -26.153 1.00 0.00 C ATOM 775 C ILE A 51 -22.633 36.044 -25.557 1.00 0.00 C ATOM 776 O ILE A 51 -22.901 37.196 -25.922 1.00 0.00 O ATOM 777 CB ILE A 51 -20.153 36.179 -25.967 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.941 35.743 -26.826 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.758 36.234 -24.477 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.395 34.341 -26.547 1.00 0.00 C ATOM 0 H ILE A 51 -20.939 35.364 -28.170 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.275 34.367 -25.621 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.425 37.172 -26.324 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.226 35.799 -27.877 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.136 36.462 -26.676 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.867 36.850 -24.359 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.576 36.665 -23.899 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.552 35.226 -24.118 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.549 34.142 -27.205 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.070 34.277 -25.509 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.177 33.603 -26.728 1.00 0.00 H new ATOM 792 N PRO A 52 -23.372 35.410 -24.638 1.00 0.00 N ATOM 793 CA PRO A 52 -24.377 36.071 -23.822 1.00 0.00 C ATOM 794 C PRO A 52 -23.721 36.959 -22.750 1.00 0.00 C ATOM 795 O PRO A 52 -22.632 36.661 -22.251 1.00 0.00 O ATOM 796 CB PRO A 52 -25.194 34.932 -23.216 1.00 0.00 C ATOM 797 CG PRO A 52 -24.193 33.783 -23.103 1.00 0.00 C ATOM 798 CD PRO A 52 -23.197 34.029 -24.229 1.00 0.00 C ATOM 0 HA PRO A 52 -25.009 36.747 -24.399 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.600 35.206 -22.242 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.039 34.665 -23.850 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.700 33.781 -22.131 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.685 32.816 -23.213 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.176 33.851 -23.890 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.379 33.351 -25.063 1.00 0.00 H new ATOM 806 N GLY A 53 -24.408 38.042 -22.372 1.00 0.00 N ATOM 807 CA GLY A 53 -23.987 39.011 -21.345 1.00 0.00 C ATOM 808 C GLY A 53 -23.548 38.397 -20.007 1.00 0.00 C ATOM 809 O GLY A 53 -22.685 38.954 -19.325 1.00 0.00 O ATOM 0 H GLY A 53 -25.309 38.280 -22.787 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.162 39.603 -21.743 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.812 39.699 -21.158 1.00 0.00 H new ATOM 813 N THR A 54 -24.107 37.243 -19.630 1.00 0.00 N ATOM 814 CA THR A 54 -23.655 36.455 -18.477 1.00 0.00 C ATOM 815 C THR A 54 -23.664 34.942 -18.755 1.00 0.00 C ATOM 816 O THR A 54 -24.337 34.475 -19.678 1.00 0.00 O ATOM 817 CB THR A 54 -24.555 36.699 -17.245 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.893 36.332 -17.515 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.652 38.161 -16.815 1.00 0.00 C ATOM 0 H THR A 54 -24.896 36.824 -20.122 1.00 0.00 H new ATOM 0 HA THR A 54 -22.634 36.784 -18.285 1.00 0.00 H new ATOM 0 HB THR A 54 -24.083 36.103 -16.464 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.354 36.133 -16.673 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.303 38.242 -15.944 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.659 38.532 -16.562 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.064 38.754 -17.632 1.00 0.00 H new ATOM 827 N TRP A 55 -22.920 34.164 -17.957 1.00 0.00 N ATOM 828 CA TRP A 55 -22.787 32.705 -18.091 1.00 0.00 C ATOM 829 C TRP A 55 -22.398 32.023 -16.764 1.00 0.00 C ATOM 830 O TRP A 55 -21.655 32.588 -15.961 1.00 0.00 O ATOM 831 CB TRP A 55 -21.734 32.402 -19.163 1.00 0.00 C ATOM 832 CG TRP A 55 -21.680 30.971 -19.600 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.866 30.029 -19.082 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.463 30.286 -20.626 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.038 28.836 -19.748 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.023 28.930 -20.707 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.493 30.677 -21.505 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.567 28.016 -21.624 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.054 29.769 -22.424 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.591 28.442 -22.487 1.00 0.00 C ATOM 0 H TRP A 55 -22.379 34.541 -17.179 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.758 32.303 -18.380 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.932 33.027 -20.034 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.754 32.688 -18.781 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.179 30.187 -18.264 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.503 27.989 -19.556 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.859 31.693 -21.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.203 27.000 -21.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.845 30.093 -23.084 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.022 27.752 -23.197 1.00 0.00 H new ATOM 851 N LEU A 56 -22.866 30.794 -16.515 1.00 0.00 N ATOM 852 CA LEU A 56 -22.570 30.045 -15.287 1.00 0.00 C ATOM 853 C LEU A 56 -21.097 29.598 -15.232 1.00 0.00 C ATOM 854 O LEU A 56 -20.600 28.909 -16.124 1.00 0.00 O ATOM 855 CB LEU A 56 -23.542 28.855 -15.159 1.00 0.00 C ATOM 856 CG LEU A 56 -24.180 28.719 -13.766 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.285 27.664 -13.799 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.165 28.291 -12.706 1.00 0.00 C ATOM 0 H LEU A 56 -23.466 30.287 -17.166 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.718 30.703 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.333 28.963 -15.901 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.007 27.935 -15.395 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.576 29.701 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.732 27.574 -12.809 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.050 27.961 -14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.863 26.704 -14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.662 28.208 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.739 27.326 -12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.370 29.034 -12.643 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 29.985 -14.162 1.00 0.00 N ATOM 871 CA CYS A 57 -18.980 29.730 -13.945 1.00 0.00 C ATOM 872 C CYS A 57 -18.713 28.517 -13.042 1.00 0.00 C ATOM 873 O CYS A 57 -19.591 28.065 -12.302 1.00 0.00 O ATOM 874 CB CYS A 57 -18.352 31.006 -13.380 1.00 0.00 C ATOM 875 SG CYS A 57 -18.321 32.256 -14.683 1.00 0.00 S ATOM 0 H CYS A 57 -20.836 30.502 -13.395 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.521 29.473 -14.900 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.926 31.364 -12.525 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.342 30.805 -13.024 1.00 0.00 H new ATOM 0 HG CYS A 57 -19.516 32.402 -15.173 1.00 0.00 H new ATOM 881 N ARG A 58 -17.469 28.010 -13.056 1.00 0.00 N ATOM 882 CA ARG A 58 -17.075 26.766 -12.358 1.00 0.00 C ATOM 883 C ARG A 58 -17.099 26.862 -10.822 1.00 0.00 C ATOM 884 O ARG A 58 -17.102 25.831 -10.150 1.00 0.00 O ATOM 885 CB ARG A 58 -15.703 26.266 -12.852 1.00 0.00 C ATOM 886 CG ARG A 58 -15.600 26.123 -14.382 1.00 0.00 C ATOM 887 CD ARG A 58 -14.262 25.511 -14.819 1.00 0.00 C ATOM 888 NE ARG A 58 -14.139 24.092 -14.428 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.067 23.327 -14.552 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.952 23.772 -15.062 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.096 22.084 -14.164 1.00 0.00 N ATOM 0 H ARG A 58 -16.698 28.453 -13.556 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.842 26.036 -12.618 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.932 26.956 -12.510 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.493 25.300 -12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.418 25.499 -14.743 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.718 27.103 -14.845 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.162 25.597 -15.901 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.444 26.079 -14.377 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.966 23.657 -14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.887 24.739 -15.381 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.145 23.153 -15.142 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.949 21.695 -13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.266 21.500 -14.262 1.00 0.00 H new ATOM 905 N ASN A 59 -17.194 28.075 -10.264 1.00 0.00 N ATOM 906 CA ASN A 59 -17.489 28.303 -8.839 1.00 0.00 C ATOM 907 C ASN A 59 -18.929 27.862 -8.450 1.00 0.00 C ATOM 908 O ASN A 59 -19.237 27.651 -7.277 1.00 0.00 O ATOM 909 CB ASN A 59 -17.236 29.794 -8.554 1.00 0.00 C ATOM 910 CG ASN A 59 -17.594 30.314 -7.166 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.962 31.574 -7.074 1.00 0.00 O flip ATOM 912 ND2 ASN A 59 -17.505 29.635 -6.155 1.00 0.00 N flip ATOM 0 H ASN A 59 -17.067 28.938 -10.793 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.837 27.686 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.179 29.995 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.795 30.376 -9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.220 28.658 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.715 30.045 -5.245 1.00 0.00 H new ATOM 919 N GLY A 60 -19.811 27.682 -9.438 1.00 0.00 N ATOM 920 CA GLY A 60 -21.231 27.353 -9.259 1.00 0.00 C ATOM 921 C GLY A 60 -22.141 28.585 -9.162 1.00 0.00 C ATOM 922 O GLY A 60 -23.269 28.476 -8.675 1.00 0.00 O ATOM 0 H GLY A 60 -19.548 27.764 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.560 26.734 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.345 26.755 -8.355 1.00 0.00 H new ATOM 926 N MET A 61 -21.657 29.752 -9.608 1.00 0.00 N ATOM 927 CA MET A 61 -22.383 31.026 -9.623 1.00 0.00 C ATOM 928 C MET A 61 -22.469 31.595 -11.046 1.00 0.00 C ATOM 929 O MET A 61 -21.570 31.385 -11.863 1.00 0.00 O ATOM 930 CB MET A 61 -21.695 32.008 -8.655 1.00 0.00 C ATOM 931 CG MET A 61 -22.503 33.286 -8.391 1.00 0.00 C ATOM 932 SD MET A 61 -24.214 33.021 -7.839 1.00 0.00 S ATOM 933 CE MET A 61 -24.789 34.737 -7.737 1.00 0.00 C ATOM 0 H MET A 61 -20.712 29.836 -9.983 1.00 0.00 H new ATOM 0 HA MET A 61 -23.408 30.865 -9.289 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.513 31.502 -7.707 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.722 32.282 -9.061 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.982 33.876 -7.637 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.521 33.880 -9.305 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.852 34.751 -7.496 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.234 35.261 -6.959 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.627 35.232 -8.694 1.00 0.00 H new ATOM 943 N GLU A 62 -23.527 32.349 -11.349 1.00 0.00 N ATOM 944 CA GLU A 62 -23.641 33.088 -12.609 1.00 0.00 C ATOM 945 C GLU A 62 -22.587 34.206 -12.669 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.184 -11.920 1.00 0.00 O ATOM 947 CB GLU A 62 -25.074 33.607 -12.810 1.00 0.00 C ATOM 948 CG GLU A 62 -25.270 34.140 -14.236 1.00 0.00 C ATOM 949 CD GLU A 62 -26.718 34.612 -14.479 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.654 33.777 -14.426 1.00 0.00 O ATOM 951 OE2 GLU A 62 -26.929 35.821 -14.747 1.00 0.00 O ATOM 0 H GLU A 62 -24.329 32.465 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.438 32.413 -13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.786 32.805 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.282 34.398 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.584 34.968 -14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.017 33.359 -14.953 1.00 0.00 H new ATOM 958 N GLY A 63 -21.598 34.030 -13.544 1.00 0.00 N ATOM 959 CA GLY A 63 -20.578 35.023 -13.854 1.00 0.00 C ATOM 960 C GLY A 63 -21.072 36.057 -14.868 1.00 0.00 C ATOM 961 O GLY A 63 -21.834 35.722 -15.776 1.00 0.00 O ATOM 0 H GLY A 63 -21.484 33.165 -14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.276 35.530 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.693 34.523 -14.248 1.00 0.00 H new ATOM 965 N THR A 64 -20.592 37.296 -14.772 1.00 0.00 N ATOM 966 CA THR A 64 -20.893 38.368 -15.735 1.00 0.00 C ATOM 967 C THR A 64 -19.695 38.694 -16.612 1.00 0.00 C ATOM 968 O THR A 64 -18.567 38.766 -16.124 1.00 0.00 O ATOM 969 CB THR A 64 -21.399 39.638 -15.033 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.539 39.337 -14.254 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.795 40.745 -16.017 1.00 0.00 C ATOM 0 H THR A 64 -19.975 37.593 -14.016 1.00 0.00 H new ATOM 0 HA THR A 64 -21.690 37.992 -16.377 1.00 0.00 H new ATOM 0 HB THR A 64 -20.573 39.994 -14.418 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.855 40.151 -13.808 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.144 41.616 -15.463 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.931 41.021 -16.621 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.592 40.385 -16.668 1.00 0.00 H new ATOM 979 N LEU A 65 -19.947 38.888 -17.908 1.00 0.00 N ATOM 980 CA LEU A 65 -18.944 39.135 -18.940 1.00 0.00 C ATOM 981 C LEU A 65 -18.102 40.392 -18.643 1.00 0.00 C ATOM 982 O LEU A 65 -18.633 41.501 -18.541 1.00 0.00 O ATOM 983 CB LEU A 65 -19.697 39.219 -20.284 1.00 0.00 C ATOM 984 CG LEU A 65 -18.814 39.242 -21.543 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.211 37.887 -21.846 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.652 39.666 -22.751 1.00 0.00 C ATOM 0 H LEU A 65 -20.897 38.876 -18.280 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.216 38.324 -18.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.375 38.368 -20.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.313 40.118 -20.278 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.006 39.949 -21.352 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.596 37.955 -22.744 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.593 37.568 -21.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.009 37.161 -22.006 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.024 39.682 -23.642 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.468 38.958 -22.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.062 40.661 -22.578 1.00 0.00 H new ATOM 998 N ILE A 66 -16.784 40.207 -18.528 1.00 0.00 N ATOM 999 CA ILE A 66 -15.764 41.259 -18.364 1.00 0.00 C ATOM 1000 C ILE A 66 -14.807 41.271 -19.563 1.00 0.00 C ATOM 1001 O ILE A 66 -14.666 40.259 -20.251 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.997 41.180 -17.017 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.073 39.952 -16.831 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.955 41.348 -15.826 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.760 38.638 -16.510 1.00 0.00 C ATOM 0 H ILE A 66 -16.374 39.273 -18.547 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.299 42.208 -18.333 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.305 42.022 -17.053 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.491 39.820 -17.743 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.366 40.173 -16.031 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.392 41.289 -14.895 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.449 42.318 -15.890 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.705 40.557 -15.848 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.012 37.853 -16.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.318 38.737 -15.579 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.445 38.379 -17.318 1.00 0.00 H new ATOM 1017 N GLU A 67 -14.163 42.414 -19.823 1.00 0.00 N ATOM 1018 CA GLU A 67 -13.285 42.628 -20.986 1.00 0.00 C ATOM 1019 C GLU A 67 -12.155 41.580 -21.064 1.00 0.00 C ATOM 1020 O GLU A 67 -11.180 41.615 -20.306 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.707 44.055 -20.964 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.785 45.131 -21.152 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.159 46.539 -21.193 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.018 47.179 -20.121 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.808 47.023 -22.297 1.00 0.00 O ATOM 0 H GLU A 67 -14.237 43.234 -19.221 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.893 42.506 -21.882 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.195 44.221 -20.016 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.960 44.153 -21.752 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.332 44.945 -22.076 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.507 45.074 -20.337 1.00 0.00 H new ATOM 1032 N GLY A 68 -12.316 40.628 -21.984 1.00 0.00 N ATOM 1033 CA GLY A 68 -11.496 39.421 -22.117 1.00 0.00 C ATOM 1034 C GLY A 68 -12.151 38.438 -23.087 1.00 0.00 C ATOM 1035 O GLY A 68 -12.370 37.273 -22.754 1.00 0.00 O ATOM 0 H GLY A 68 -13.053 40.678 -22.687 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.501 39.687 -22.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.369 38.950 -21.142 1.00 0.00 H new ATOM 1039 N ASP A 69 -12.552 38.938 -24.252 1.00 0.00 N ATOM 1040 CA ASP A 69 -13.494 38.354 -25.190 1.00 0.00 C ATOM 1041 C ASP A 69 -13.237 38.954 -26.584 1.00 0.00 C ATOM 1042 O ASP A 69 -12.787 40.096 -26.723 1.00 0.00 O ATOM 1043 CB ASP A 69 -14.932 38.640 -24.718 1.00 0.00 C ATOM 1044 CG ASP A 69 -15.269 40.144 -24.645 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -14.740 40.849 -23.748 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -16.084 40.619 -25.471 1.00 0.00 O ATOM 0 H ASP A 69 -12.196 39.833 -24.587 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.364 37.273 -25.242 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.632 38.152 -25.396 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.078 38.195 -23.734 1.00 0.00 H new ATOM 1051 N LEU A 70 -13.503 38.165 -27.619 1.00 0.00 N ATOM 1052 CA LEU A 70 -13.270 38.530 -29.020 1.00 0.00 C ATOM 1053 C LEU A 70 -14.269 39.618 -29.484 1.00 0.00 C ATOM 1054 O LEU A 70 -15.447 39.549 -29.117 1.00 0.00 O ATOM 1055 CB LEU A 70 -13.354 37.280 -29.922 1.00 0.00 C ATOM 1056 CG LEU A 70 -12.149 36.317 -29.864 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -12.018 35.566 -28.535 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -12.291 35.274 -30.974 1.00 0.00 C ATOM 0 H LEU A 70 -13.896 37.230 -27.509 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.266 38.946 -29.104 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.251 36.723 -29.653 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.480 37.609 -30.953 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.259 36.936 -29.982 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.149 34.910 -28.572 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.897 36.283 -27.723 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.915 34.971 -28.364 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.444 34.589 -30.940 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.216 34.714 -30.831 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.315 35.774 -31.942 1.00 0.00 H new ATOM 1070 N PRO A 71 -13.857 40.580 -30.338 1.00 0.00 N ATOM 1071 CA PRO A 71 -14.700 41.682 -30.829 1.00 0.00 C ATOM 1072 C PRO A 71 -15.645 41.241 -31.971 1.00 0.00 C ATOM 1073 O PRO A 71 -15.762 41.907 -33.000 1.00 0.00 O ATOM 1074 CB PRO A 71 -13.696 42.774 -31.226 1.00 0.00 C ATOM 1075 CG PRO A 71 -12.528 41.956 -31.774 1.00 0.00 C ATOM 1076 CD PRO A 71 -12.494 40.754 -30.830 1.00 0.00 C ATOM 0 HA PRO A 71 -15.398 42.048 -30.076 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.106 43.451 -31.976 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.400 43.385 -30.373 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.693 41.655 -32.808 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.594 42.517 -31.751 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.152 39.860 -31.351 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.802 40.927 -30.006 1.00 0.00 H new ATOM 1084 N GLU A 72 -16.277 40.073 -31.808 1.00 0.00 N ATOM 1085 CA GLU A 72 -17.097 39.333 -32.778 1.00 0.00 C ATOM 1086 C GLU A 72 -16.556 39.412 -34.235 1.00 0.00 C ATOM 1087 O GLU A 72 -17.267 39.876 -35.133 1.00 0.00 O ATOM 1088 CB GLU A 72 -18.548 39.829 -32.622 1.00 0.00 C ATOM 1089 CG GLU A 72 -19.174 39.494 -31.255 1.00 0.00 C ATOM 1090 CD GLU A 72 -20.506 40.244 -31.047 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -20.483 41.465 -30.752 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -21.590 39.623 -31.168 1.00 0.00 O ATOM 0 H GLU A 72 -16.224 39.578 -30.918 1.00 0.00 H new ATOM 0 HA GLU A 72 -17.053 38.265 -32.564 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.571 40.909 -32.767 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.160 39.389 -33.409 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.345 38.420 -31.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.478 39.759 -30.459 1.00 0.00 H new ATOM 1099 N PRO A 73 -15.311 38.948 -34.513 1.00 0.00 N ATOM 1100 CA PRO A 73 -14.581 39.276 -35.753 1.00 0.00 C ATOM 1101 C PRO A 73 -14.951 38.368 -36.945 1.00 0.00 C ATOM 1102 O PRO A 73 -14.119 37.679 -37.538 1.00 0.00 O ATOM 1103 CB PRO A 73 -13.104 39.204 -35.355 1.00 0.00 C ATOM 1104 CG PRO A 73 -13.098 38.070 -34.333 1.00 0.00 C ATOM 1105 CD PRO A 73 -14.393 38.320 -33.566 1.00 0.00 C ATOM 0 HA PRO A 73 -14.846 40.264 -36.131 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.463 38.985 -36.209 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.753 40.142 -34.924 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.091 37.091 -34.812 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.225 38.113 -33.682 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.806 37.386 -33.184 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.218 38.967 -32.706 1.00 0.00 H new ATOM 1113 N LYS A 74 -16.236 38.398 -37.299 1.00 0.00 N ATOM 1114 CA LYS A 74 -16.885 37.731 -38.451 1.00 0.00 C ATOM 1115 C LYS A 74 -18.280 38.318 -38.723 1.00 0.00 C ATOM 1116 O LYS A 74 -18.694 38.444 -39.876 1.00 0.00 O ATOM 1117 CB LYS A 74 -16.976 36.212 -38.159 1.00 0.00 C ATOM 1118 CG LYS A 74 -17.785 35.382 -39.173 1.00 0.00 C ATOM 1119 CD LYS A 74 -17.096 35.254 -40.540 1.00 0.00 C ATOM 1120 CE LYS A 74 -18.001 34.468 -41.496 1.00 0.00 C ATOM 1121 NZ LYS A 74 -17.412 34.356 -42.854 1.00 0.00 N ATOM 0 H LYS A 74 -16.912 38.929 -36.750 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.287 37.899 -39.346 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.964 35.809 -38.113 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -17.418 36.077 -37.172 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.954 34.386 -38.764 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.764 35.841 -39.309 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.889 36.243 -40.949 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.137 34.747 -40.430 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.174 33.470 -41.093 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.972 34.959 -41.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.014 33.747 -43.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.348 35.301 -43.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.461 33.942 -42.787 1.00 0.00 H new ATOM 1135 N LYS A 75 -18.997 38.669 -37.651 1.00 0.00 N ATOM 1136 CA LYS A 75 -20.391 39.136 -37.632 1.00 0.00 C ATOM 1137 C LYS A 75 -20.564 40.509 -38.295 1.00 0.00 C ATOM 1138 O LYS A 75 -19.808 41.442 -38.017 1.00 0.00 O ATOM 1139 CB LYS A 75 -20.819 39.140 -36.157 1.00 0.00 C ATOM 1140 CG LYS A 75 -22.265 39.568 -35.875 1.00 0.00 C ATOM 1141 CD LYS A 75 -22.519 39.349 -34.379 1.00 0.00 C ATOM 1142 CE LYS A 75 -23.851 39.920 -33.894 1.00 0.00 C ATOM 1143 NZ LYS A 75 -24.061 39.558 -32.472 1.00 0.00 N ATOM 0 H LYS A 75 -18.596 38.633 -36.714 1.00 0.00 H new ATOM 0 HA LYS A 75 -21.027 38.474 -38.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.673 38.137 -35.755 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.151 39.804 -35.608 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.416 40.614 -36.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.963 38.983 -36.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.493 38.280 -34.167 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -21.709 39.806 -33.811 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.856 41.004 -34.008 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.668 39.532 -34.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.722 40.232 -32.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.456 38.598 -32.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.152 39.590 -31.968 1.00 0.00 H new ATOM 1157 N VAL A 76 -21.591 40.631 -39.139 1.00 0.00 N ATOM 1158 CA VAL A 76 -22.019 41.876 -39.809 1.00 0.00 C ATOM 1159 C VAL A 76 -23.549 41.981 -39.773 1.00 0.00 C ATOM 1160 O VAL A 76 -24.245 41.004 -40.060 1.00 0.00 O ATOM 1161 CB VAL A 76 -21.507 41.942 -41.269 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -21.905 43.257 -41.956 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -19.978 41.837 -41.355 1.00 0.00 C ATOM 0 H VAL A 76 -22.177 39.834 -39.390 1.00 0.00 H new ATOM 0 HA VAL A 76 -21.585 42.719 -39.272 1.00 0.00 H new ATOM 0 HB VAL A 76 -21.970 41.092 -41.770 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.526 43.263 -42.978 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.991 43.345 -41.971 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -21.480 44.097 -41.407 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.668 41.888 -42.399 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.525 42.659 -40.801 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.654 40.889 -40.926 1.00 0.00 H new ATOM 1173 N LYS A 77 -24.074 43.167 -39.432 1.00 0.00 N ATOM 1174 CA LYS A 77 -25.514 43.498 -39.396 1.00 0.00 C ATOM 1175 C LYS A 77 -25.776 44.896 -39.994 1.00 0.00 C ATOM 1176 O LYS A 77 -24.904 45.765 -39.876 1.00 0.00 O ATOM 1177 CB LYS A 77 -26.043 43.428 -37.947 1.00 0.00 C ATOM 1178 CG LYS A 77 -26.005 42.008 -37.354 1.00 0.00 C ATOM 1179 CD LYS A 77 -26.585 41.934 -35.930 1.00 0.00 C ATOM 1180 CE LYS A 77 -28.089 42.239 -35.829 1.00 0.00 C ATOM 1181 NZ LYS A 77 -28.928 41.183 -36.458 1.00 0.00 N ATOM 0 H LYS A 77 -23.487 43.956 -39.162 1.00 0.00 H new ATOM 0 HA LYS A 77 -26.046 42.765 -40.002 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -25.450 44.093 -37.319 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -27.068 43.797 -37.923 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -26.564 41.334 -38.003 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -24.974 41.654 -37.339 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -26.403 40.936 -35.530 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -26.043 42.635 -35.295 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -28.366 42.342 -34.780 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -28.295 43.196 -36.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -29.932 41.435 -36.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -28.685 41.101 -37.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -28.754 40.273 -35.985 1.00 0.00 H new ATOM 1195 N PRO A 78 -26.947 45.148 -40.612 1.00 0.00 N ATOM 1196 CA PRO A 78 -27.300 46.462 -41.157 1.00 0.00 C ATOM 1197 C PRO A 78 -27.563 47.505 -40.047 1.00 0.00 C ATOM 1198 O PRO A 78 -27.960 47.134 -38.936 1.00 0.00 O ATOM 1199 CB PRO A 78 -28.545 46.220 -42.017 1.00 0.00 C ATOM 1200 CG PRO A 78 -29.221 45.037 -41.324 1.00 0.00 C ATOM 1201 CD PRO A 78 -28.034 44.202 -40.843 1.00 0.00 C ATOM 0 HA PRO A 78 -26.481 46.881 -41.741 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -29.193 47.096 -42.043 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -28.283 45.987 -43.049 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -29.851 45.360 -40.495 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -29.858 44.477 -42.009 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -28.282 43.661 -39.930 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -27.752 43.458 -41.588 1.00 0.00 H new ATOM 1209 N PRO A 79 -27.379 48.812 -40.326 1.00 0.00 N ATOM 1210 CA PRO A 79 -27.665 49.886 -39.373 1.00 0.00 C ATOM 1211 C PRO A 79 -29.176 50.054 -39.126 1.00 0.00 C ATOM 1212 O PRO A 79 -29.992 49.885 -40.040 1.00 0.00 O ATOM 1213 CB PRO A 79 -27.037 51.145 -39.982 1.00 0.00 C ATOM 1214 CG PRO A 79 -27.112 50.880 -41.486 1.00 0.00 C ATOM 1215 CD PRO A 79 -26.891 49.371 -41.582 1.00 0.00 C ATOM 0 HA PRO A 79 -27.248 49.668 -38.390 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -27.587 52.044 -39.704 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -26.009 51.284 -39.648 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -28.077 51.173 -41.900 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -26.349 51.435 -42.032 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -27.430 48.951 -42.431 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -25.836 49.140 -41.728 1.00 0.00 H new ATOM 1223 N ARG A 80 -29.542 50.408 -37.887 1.00 0.00 N ATOM 1224 CA ARG A 80 -30.924 50.644 -37.417 1.00 0.00 C ATOM 1225 C ARG A 80 -31.001 51.838 -36.457 1.00 0.00 C ATOM 1226 O ARG A 80 -31.922 52.669 -36.619 1.00 0.00 O ATOM 1227 CB ARG A 80 -31.496 49.374 -36.753 1.00 0.00 C ATOM 1228 CG ARG A 80 -31.684 48.204 -37.733 1.00 0.00 C ATOM 1229 CD ARG A 80 -32.382 47.020 -37.051 1.00 0.00 C ATOM 1230 NE ARG A 80 -32.571 45.889 -37.981 1.00 0.00 N ATOM 1231 CZ ARG A 80 -33.559 45.713 -38.839 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -34.533 46.569 -38.969 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -33.589 44.657 -39.596 1.00 0.00 N ATOM 1234 OXT ARG A 80 -30.137 51.945 -35.555 1.00 0.00 O ATOM 0 H ARG A 80 -28.854 50.545 -37.146 1.00 0.00 H new ATOM 0 HA ARG A 80 -31.531 50.885 -38.289 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -30.829 49.061 -35.949 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -32.456 49.613 -36.296 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -32.273 48.533 -38.589 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -30.714 47.887 -38.116 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -31.791 46.693 -36.195 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -33.350 47.341 -36.666 1.00 0.00 H new ATOM 0 HE ARG A 80 -31.857 45.161 -37.958 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -34.551 47.412 -38.396 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -35.278 46.396 -39.644 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -32.847 43.960 -39.529 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -34.354 44.525 -40.257 1.00 0.00 H new TER 1248 ARG A 80