USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 54 ASN : amide:sc= 0.976 K(o=2.1,f=0.15) USER MOD Set 1.2: A 57 HIS : no HE2:sc= 1.15 K(o=2.1,f=-6.3!) USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -4.46! C(o=-5.5!,f=-4.2!) USER MOD Set 2.2: A 59 SER OG : rot 82:sc= 0.724 USER MOD Set 2.3: A 73 CYS SG : rot 117:sc= -0.455 USER MOD Set 3.1: A 14 ASN : amide:sc= 1.24 K(o=3.3,f=0.48) USER MOD Set 3.2: A 18 THR OG1 : rot -100:sc= 2.05 USER MOD Set 4.1: A 7 SER OG : rot -132:sc= 0.306 USER MOD Set 4.2: A 23 CYS SG : rot 70:sc= -1.4! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0207) USER MOD Single : A 2 SER OG : rot -170:sc= -3.03! USER MOD Single : A 3 TYR OH : rot 26:sc= 0.0489 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0726 X(o=-0.073,f=-0.0032) USER MOD Single : A 13 THR OG1 : rot 150:sc= -2.1! USER MOD Single : A 25 ASN : amide:sc= -2.19! C(o=-2.2!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.339 K(o=0.34,f=-6.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 142:sc= 1.28 USER MOD Single : A 39 THR OG1 : rot -95:sc= 1.24 USER MOD Single : A 40 CYS SG : rot 177:sc= -1.09! USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 52 MET CE :methyl 167:sc= -0.0928 (180deg=-0.399) USER MOD Single : A 53 GLN : amide:sc= -0.0897 K(o=-0.09,f=-1.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 35:sc= 0.602 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0.673) USER MOD Single : A 77 THR OG1 : rot 68:sc= 0.381 USER MOD Single : A 86 GLN : amide:sc= -1.3! C(o=-1.3!,f=-1.2!) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0255 F(o=-2!,f=-0.026) USER MOD Single : A 94 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 95 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.9!) USER MOD Single : A 97 ASN : amide:sc= -0.646 K(o=-0.65,f=-1.2) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.108 F(o=-1.2,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.783 14.217 -0.914 1.00 0.00 N ATOM 2 CA MET A 1 0.693 14.087 -0.857 1.00 0.00 C ATOM 3 C MET A 1 1.082 12.805 -0.139 1.00 0.00 C ATOM 4 O MET A 1 0.661 12.560 0.988 1.00 0.00 O ATOM 5 CB MET A 1 1.320 15.291 -0.152 1.00 0.00 C ATOM 6 CG MET A 1 1.268 16.575 -0.967 1.00 0.00 C ATOM 7 SD MET A 1 1.949 17.991 -0.081 1.00 0.00 S ATOM 8 CE MET A 1 1.960 19.224 -1.380 1.00 0.00 C ATOM 0 H1 MET A 1 -1.036 15.052 -1.480 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.190 13.366 -1.352 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.159 14.325 0.049 1.00 0.00 H new ATOM 0 HA MET A 1 1.070 14.051 -1.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.807 15.453 0.796 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.360 15.062 0.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.820 16.433 -1.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.234 16.786 -1.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.356 20.161 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.587 18.880 -2.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.943 19.382 -1.740 1.00 0.00 H new ATOM 16 N SER A 2 1.855 11.971 -0.811 1.00 0.00 N ATOM 17 CA SER A 2 2.295 10.710 -0.242 1.00 0.00 C ATOM 18 C SER A 2 3.817 10.632 -0.179 1.00 0.00 C ATOM 19 O SER A 2 4.510 11.583 -0.539 1.00 0.00 O ATOM 20 CB SER A 2 1.738 9.547 -1.056 1.00 0.00 C ATOM 21 OG SER A 2 0.354 9.717 -1.291 1.00 0.00 O ATOM 0 H SER A 2 2.193 12.146 -1.757 1.00 0.00 H new ATOM 0 HA SER A 2 1.915 10.647 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.267 9.476 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.909 8.611 -0.525 1.00 0.00 H new ATOM 0 HG SER A 2 -0.016 8.894 -1.673 1.00 0.00 H new ATOM 26 N TYR A 3 4.334 9.516 0.311 1.00 0.00 N ATOM 27 CA TYR A 3 5.774 9.310 0.397 1.00 0.00 C ATOM 28 C TYR A 3 6.403 9.300 -0.998 1.00 0.00 C ATOM 29 O TYR A 3 7.518 9.780 -1.186 1.00 0.00 O ATOM 30 CB TYR A 3 6.082 7.987 1.107 1.00 0.00 C ATOM 31 CG TYR A 3 5.691 6.759 0.309 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.358 6.413 0.140 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.658 5.956 -0.286 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.994 5.306 -0.594 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.301 4.844 -1.022 1.00 0.00 C ATOM 36 CZ TYR A 3 4.969 4.523 -1.172 1.00 0.00 C ATOM 37 OH TYR A 3 4.608 3.423 -1.908 1.00 0.00 O ATOM 0 H TYR A 3 3.776 8.735 0.657 1.00 0.00 H new ATOM 0 HA TYR A 3 6.199 10.133 0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.149 7.942 1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.560 7.969 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.591 7.024 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.702 6.206 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.951 5.053 -0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.062 4.228 -1.478 1.00 0.00 H new ATOM 0 HH TYR A 3 3.706 3.553 -2.269 1.00 0.00 H new ATOM 46 N ALA A 4 5.655 8.771 -1.969 1.00 0.00 N ATOM 47 CA ALA A 4 6.113 8.654 -3.354 1.00 0.00 C ATOM 48 C ALA A 4 6.534 9.994 -3.947 1.00 0.00 C ATOM 49 O ALA A 4 7.341 10.040 -4.873 1.00 0.00 O ATOM 50 CB ALA A 4 5.026 8.025 -4.209 1.00 0.00 C ATOM 0 H ALA A 4 4.713 8.411 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 4 6.996 8.015 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.375 7.942 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.789 7.033 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.133 8.649 -4.178 1.00 0.00 H new ATOM 56 N ASP A 5 6.004 11.081 -3.406 1.00 0.00 N ATOM 57 CA ASP A 5 6.336 12.408 -3.883 1.00 0.00 C ATOM 58 C ASP A 5 7.802 12.730 -3.614 1.00 0.00 C ATOM 59 O ASP A 5 8.367 13.658 -4.191 1.00 0.00 O ATOM 60 CB ASP A 5 5.421 13.422 -3.211 1.00 0.00 C ATOM 61 CG ASP A 5 3.986 13.290 -3.673 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.647 13.868 -4.726 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.194 12.603 -2.995 1.00 0.00 O ATOM 0 H ASP A 5 5.339 11.066 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 5 6.187 12.452 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.467 13.290 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.779 14.429 -3.424 1.00 0.00 H new ATOM 67 N SER A 6 8.410 11.951 -2.730 1.00 0.00 N ATOM 68 CA SER A 6 9.812 12.109 -2.383 1.00 0.00 C ATOM 69 C SER A 6 10.459 10.735 -2.229 1.00 0.00 C ATOM 70 O SER A 6 11.391 10.561 -1.450 1.00 0.00 O ATOM 71 CB SER A 6 9.963 12.910 -1.085 1.00 0.00 C ATOM 72 OG SER A 6 9.419 14.211 -1.217 1.00 0.00 O ATOM 0 H SER A 6 7.943 11.192 -2.234 1.00 0.00 H new ATOM 0 HA SER A 6 10.311 12.657 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.463 12.385 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.018 12.980 -0.819 1.00 0.00 H new ATOM 0 HG SER A 6 9.528 14.698 -0.374 1.00 0.00 H new ATOM 77 N SER A 7 9.945 9.756 -2.967 1.00 0.00 N ATOM 78 CA SER A 7 10.467 8.396 -2.910 1.00 0.00 C ATOM 79 C SER A 7 10.369 7.729 -4.277 1.00 0.00 C ATOM 80 O SER A 7 9.549 8.118 -5.107 1.00 0.00 O ATOM 81 CB SER A 7 9.699 7.562 -1.879 1.00 0.00 C ATOM 82 OG SER A 7 9.677 8.194 -0.608 1.00 0.00 O ATOM 0 H SER A 7 9.165 9.880 -3.613 1.00 0.00 H new ATOM 0 HA SER A 7 11.514 8.452 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.678 7.405 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.160 6.579 -1.789 1.00 0.00 H new ATOM 0 HG SER A 7 9.925 7.546 0.084 1.00 0.00 H new ATOM 87 N ARG A 8 11.206 6.725 -4.504 1.00 0.00 N ATOM 88 CA ARG A 8 11.209 5.998 -5.767 1.00 0.00 C ATOM 89 C ARG A 8 11.480 4.517 -5.534 1.00 0.00 C ATOM 90 O ARG A 8 11.905 4.123 -4.447 1.00 0.00 O ATOM 91 CB ARG A 8 12.257 6.575 -6.723 1.00 0.00 C ATOM 92 CG ARG A 8 13.656 6.650 -6.134 1.00 0.00 C ATOM 93 CD ARG A 8 14.664 7.146 -7.158 1.00 0.00 C ATOM 94 NE ARG A 8 14.283 8.441 -7.728 1.00 0.00 N ATOM 95 CZ ARG A 8 15.030 9.126 -8.595 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.215 8.660 -8.978 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.591 10.278 -9.082 1.00 0.00 N ATOM 0 H ARG A 8 11.894 6.395 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 8 10.224 6.108 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.286 5.964 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.947 7.575 -7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.654 7.316 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.954 5.665 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.644 7.232 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.757 6.412 -7.958 1.00 0.00 H new ATOM 0 HE ARG A 8 13.390 8.844 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.558 7.773 -8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.781 9.189 -9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.682 10.640 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.162 10.802 -9.745 1.00 0.00 H new ATOM 108 N ASN A 9 11.228 3.711 -6.564 1.00 0.00 N ATOM 109 CA ASN A 9 11.434 2.264 -6.509 1.00 0.00 C ATOM 110 C ASN A 9 10.602 1.633 -5.400 1.00 0.00 C ATOM 111 O ASN A 9 11.127 0.933 -4.528 1.00 0.00 O ATOM 112 CB ASN A 9 12.917 1.905 -6.333 1.00 0.00 C ATOM 113 CG ASN A 9 13.766 2.315 -7.522 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.779 1.642 -8.555 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.520 3.392 -7.376 1.00 0.00 N ATOM 0 H ASN A 9 10.875 4.043 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 9 11.103 1.859 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.299 2.390 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.010 0.830 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.137 3.689 -8.132 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.484 3.926 -6.507 1.00 0.00 H new ATOM 121 N ALA A 10 9.302 1.893 -5.438 1.00 0.00 N ATOM 122 CA ALA A 10 8.388 1.350 -4.450 1.00 0.00 C ATOM 123 C ALA A 10 7.876 -0.010 -4.896 1.00 0.00 C ATOM 124 O ALA A 10 7.244 -0.135 -5.946 1.00 0.00 O ATOM 125 CB ALA A 10 7.232 2.304 -4.210 1.00 0.00 C ATOM 0 H ALA A 10 8.859 2.479 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 10 8.927 1.226 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.558 1.879 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.616 3.258 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.690 2.461 -5.143 1.00 0.00 H new ATOM 131 N VAL A 11 8.173 -1.025 -4.105 1.00 0.00 N ATOM 132 CA VAL A 11 7.751 -2.383 -4.404 1.00 0.00 C ATOM 133 C VAL A 11 6.850 -2.908 -3.298 1.00 0.00 C ATOM 134 O VAL A 11 6.713 -2.280 -2.245 1.00 0.00 O ATOM 135 CB VAL A 11 8.958 -3.336 -4.577 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.874 -2.849 -5.690 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.733 -3.489 -3.277 1.00 0.00 C ATOM 0 H VAL A 11 8.710 -0.934 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 11 7.203 -2.352 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 11 8.569 -4.316 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.716 -3.534 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.319 -2.811 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.244 -1.853 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.574 -4.165 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.104 -2.515 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.077 -3.897 -2.508 1.00 0.00 H new ATOM 147 N LEU A 12 6.258 -4.068 -3.530 1.00 0.00 N ATOM 148 CA LEU A 12 5.363 -4.677 -2.561 1.00 0.00 C ATOM 149 C LEU A 12 6.054 -5.840 -1.869 1.00 0.00 C ATOM 150 O LEU A 12 6.395 -6.839 -2.505 1.00 0.00 O ATOM 151 CB LEU A 12 4.078 -5.178 -3.240 1.00 0.00 C ATOM 152 CG LEU A 12 3.105 -4.100 -3.738 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.816 -3.094 -2.635 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.639 -3.405 -4.984 1.00 0.00 C ATOM 0 H LEU A 12 6.382 -4.609 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 12 5.098 -3.919 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.360 -5.802 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.547 -5.819 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 12 2.170 -4.589 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.125 -2.337 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.370 -3.607 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.746 -2.616 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.927 -2.647 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.594 -2.931 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.779 -4.139 -5.778 1.00 0.00 H new ATOM 165 N THR A 13 6.273 -5.702 -0.573 1.00 0.00 N ATOM 166 CA THR A 13 6.924 -6.743 0.199 1.00 0.00 C ATOM 167 C THR A 13 5.937 -7.413 1.153 1.00 0.00 C ATOM 168 O THR A 13 4.814 -6.924 1.346 1.00 0.00 O ATOM 169 CB THR A 13 8.131 -6.185 0.981 1.00 0.00 C ATOM 170 OG1 THR A 13 7.757 -4.998 1.692 1.00 0.00 O ATOM 171 CG2 THR A 13 9.282 -5.869 0.038 1.00 0.00 C ATOM 0 H THR A 13 6.009 -4.878 -0.034 1.00 0.00 H new ATOM 0 HA THR A 13 7.290 -7.493 -0.502 1.00 0.00 H new ATOM 0 HB THR A 13 8.454 -6.945 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.297 -4.921 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.123 -5.477 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.588 -6.778 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.961 -5.126 -0.692 1.00 0.00 H new ATOM 179 N ASN A 14 6.356 -8.543 1.724 1.00 0.00 N ATOM 180 CA ASN A 14 5.525 -9.307 2.656 1.00 0.00 C ATOM 181 C ASN A 14 4.212 -9.717 2.004 1.00 0.00 C ATOM 182 O ASN A 14 3.131 -9.431 2.520 1.00 0.00 O ATOM 183 CB ASN A 14 5.256 -8.505 3.934 1.00 0.00 C ATOM 184 CG ASN A 14 6.471 -8.414 4.834 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.283 -9.338 4.904 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.610 -7.297 5.523 1.00 0.00 N ATOM 0 H ASN A 14 7.275 -8.953 1.555 1.00 0.00 H new ATOM 0 HA ASN A 14 6.073 -10.210 2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.932 -7.500 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.436 -8.968 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.412 -7.176 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.915 -6.555 5.437 1.00 0.00 H new ATOM 192 N GLY A 15 4.312 -10.361 0.845 1.00 0.00 N ATOM 193 CA GLY A 15 3.130 -10.811 0.129 1.00 0.00 C ATOM 194 C GLY A 15 2.485 -9.706 -0.690 1.00 0.00 C ATOM 195 O GLY A 15 1.968 -9.953 -1.781 1.00 0.00 O ATOM 0 H GLY A 15 5.196 -10.581 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.402 -11.635 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.404 -11.200 0.843 1.00 0.00 H new ATOM 199 N GLY A 16 2.529 -8.492 -0.165 1.00 0.00 N ATOM 200 CA GLY A 16 1.942 -7.354 -0.839 1.00 0.00 C ATOM 201 C GLY A 16 1.180 -6.484 0.134 1.00 0.00 C ATOM 202 O GLY A 16 0.024 -6.138 -0.099 1.00 0.00 O ATOM 0 H GLY A 16 2.968 -8.273 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.725 -6.768 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.272 -7.699 -1.626 1.00 0.00 H new ATOM 206 N ARG A 17 1.824 -6.156 1.243 1.00 0.00 N ATOM 207 CA ARG A 17 1.199 -5.333 2.268 1.00 0.00 C ATOM 208 C ARG A 17 2.141 -4.230 2.745 1.00 0.00 C ATOM 209 O ARG A 17 1.699 -3.172 3.196 1.00 0.00 O ATOM 210 CB ARG A 17 0.793 -6.210 3.453 1.00 0.00 C ATOM 211 CG ARG A 17 1.971 -6.703 4.275 1.00 0.00 C ATOM 212 CD ARG A 17 1.539 -7.668 5.359 1.00 0.00 C ATOM 213 NE ARG A 17 2.601 -7.896 6.334 1.00 0.00 N ATOM 214 CZ ARG A 17 2.887 -9.083 6.857 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.262 -10.175 6.425 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.824 -9.189 7.793 1.00 0.00 N ATOM 0 H ARG A 17 2.778 -6.446 1.457 1.00 0.00 H new ATOM 0 HA ARG A 17 0.316 -4.862 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.121 -5.645 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.233 -7.069 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.692 -7.192 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.479 -5.852 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.658 -7.275 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.250 -8.617 4.907 1.00 0.00 H new ATOM 0 HE ARG A 17 3.158 -7.095 6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.560 -10.103 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.485 -11.084 6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.324 -8.359 8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.043 -10.101 8.194 1.00 0.00 H new ATOM 227 N THR A 18 3.435 -4.487 2.650 1.00 0.00 N ATOM 228 CA THR A 18 4.434 -3.538 3.086 1.00 0.00 C ATOM 229 C THR A 18 4.989 -2.754 1.902 1.00 0.00 C ATOM 230 O THR A 18 5.269 -3.324 0.843 1.00 0.00 O ATOM 231 CB THR A 18 5.578 -4.274 3.800 1.00 0.00 C ATOM 232 OG1 THR A 18 5.032 -5.290 4.653 1.00 0.00 O ATOM 233 CG2 THR A 18 6.420 -3.313 4.622 1.00 0.00 C ATOM 0 H THR A 18 3.816 -5.354 2.271 1.00 0.00 H new ATOM 0 HA THR A 18 3.964 -2.838 3.777 1.00 0.00 H new ATOM 0 HB THR A 18 6.220 -4.728 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.009 -4.964 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.222 -3.862 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.849 -2.554 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.794 -2.832 5.373 1.00 0.00 H new ATOM 241 N LEU A 19 5.121 -1.450 2.082 1.00 0.00 N ATOM 242 CA LEU A 19 5.651 -0.583 1.042 1.00 0.00 C ATOM 243 C LEU A 19 7.141 -0.382 1.223 1.00 0.00 C ATOM 244 O LEU A 19 7.574 0.194 2.218 1.00 0.00 O ATOM 245 CB LEU A 19 4.968 0.784 1.059 1.00 0.00 C ATOM 246 CG LEU A 19 3.513 0.803 0.614 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.978 2.223 0.660 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.370 0.217 -0.785 1.00 0.00 C ATOM 0 H LEU A 19 4.867 -0.966 2.943 1.00 0.00 H new ATOM 0 HA LEU A 19 5.456 -1.070 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.024 1.184 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.533 1.460 0.417 1.00 0.00 H new ATOM 0 HG LEU A 19 2.929 0.186 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.936 2.230 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.048 2.605 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.566 2.855 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.322 0.240 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.961 0.805 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.725 -0.814 -0.786 1.00 0.00 H new ATOM 259 N ARG A 20 7.918 -0.872 0.277 1.00 0.00 N ATOM 260 CA ARG A 20 9.360 -0.715 0.325 1.00 0.00 C ATOM 261 C ARG A 20 9.786 0.244 -0.778 1.00 0.00 C ATOM 262 O ARG A 20 9.549 -0.021 -1.954 1.00 0.00 O ATOM 263 CB ARG A 20 10.048 -2.081 0.163 1.00 0.00 C ATOM 264 CG ARG A 20 11.573 -2.037 0.148 1.00 0.00 C ATOM 265 CD ARG A 20 12.114 -1.719 -1.240 1.00 0.00 C ATOM 266 NE ARG A 20 13.569 -1.724 -1.283 1.00 0.00 N ATOM 267 CZ ARG A 20 14.291 -1.109 -2.220 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.692 -0.445 -3.201 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.615 -1.149 -2.176 1.00 0.00 N ATOM 0 H ARG A 20 7.575 -1.383 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 20 9.658 -0.305 1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.726 -2.732 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.703 -2.537 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.922 -1.285 0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.968 -2.997 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.730 -2.449 -1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.747 -0.742 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 20 14.067 -2.230 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.674 -0.403 -3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.250 0.023 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.085 -1.652 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.164 -0.677 -2.895 1.00 0.00 H new ATOM 280 N ALA A 21 10.419 1.345 -0.406 1.00 0.00 N ATOM 281 CA ALA A 21 10.858 2.328 -1.386 1.00 0.00 C ATOM 282 C ALA A 21 12.058 3.114 -0.891 1.00 0.00 C ATOM 283 O ALA A 21 12.409 3.055 0.290 1.00 0.00 O ATOM 284 CB ALA A 21 9.717 3.280 -1.710 1.00 0.00 C ATOM 0 H ALA A 21 10.640 1.581 0.562 1.00 0.00 H new ATOM 0 HA ALA A 21 11.157 1.791 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.052 4.013 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.877 2.717 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.403 3.794 -0.801 1.00 0.00 H new ATOM 290 N GLU A 22 12.685 3.840 -1.812 1.00 0.00 N ATOM 291 CA GLU A 22 13.819 4.686 -1.482 1.00 0.00 C ATOM 292 C GLU A 22 13.267 6.052 -1.141 1.00 0.00 C ATOM 293 O GLU A 22 12.821 6.778 -2.029 1.00 0.00 O ATOM 294 CB GLU A 22 14.794 4.804 -2.666 1.00 0.00 C ATOM 295 CG GLU A 22 15.228 3.462 -3.227 1.00 0.00 C ATOM 296 CD GLU A 22 16.288 3.590 -4.301 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.078 4.349 -5.270 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.332 2.907 -4.193 1.00 0.00 O ATOM 0 H GLU A 22 12.422 3.857 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 22 14.373 4.256 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.323 5.385 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.677 5.358 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.611 2.841 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.360 2.948 -3.639 1.00 0.00 H new ATOM 303 N CYS A 23 13.259 6.382 0.134 1.00 0.00 N ATOM 304 CA CYS A 23 12.724 7.650 0.578 1.00 0.00 C ATOM 305 C CYS A 23 13.814 8.699 0.661 1.00 0.00 C ATOM 306 O CYS A 23 14.828 8.505 1.332 1.00 0.00 O ATOM 307 CB CYS A 23 12.047 7.486 1.937 1.00 0.00 C ATOM 308 SG CYS A 23 10.679 6.308 1.930 1.00 0.00 S ATOM 0 H CYS A 23 13.618 5.788 0.881 1.00 0.00 H new ATOM 0 HA CYS A 23 11.985 7.984 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.790 7.162 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.677 8.456 2.268 1.00 0.00 H new ATOM 0 HG CYS A 23 11.144 5.103 1.780 1.00 0.00 H new ATOM 313 N ARG A 24 13.623 9.791 -0.057 1.00 0.00 N ATOM 314 CA ARG A 24 14.563 10.875 -0.046 1.00 0.00 C ATOM 315 C ARG A 24 14.500 11.591 1.290 1.00 0.00 C ATOM 316 O ARG A 24 13.498 12.232 1.613 1.00 0.00 O ATOM 317 CB ARG A 24 14.222 11.828 -1.171 1.00 0.00 C ATOM 318 CG ARG A 24 15.329 12.784 -1.521 1.00 0.00 C ATOM 319 CD ARG A 24 14.984 13.522 -2.792 1.00 0.00 C ATOM 320 NE ARG A 24 13.940 14.529 -2.579 1.00 0.00 N ATOM 321 CZ ARG A 24 12.968 14.804 -3.453 1.00 0.00 C ATOM 322 NH1 ARG A 24 12.939 14.205 -4.637 1.00 0.00 N ATOM 323 NH2 ARG A 24 12.035 15.696 -3.148 1.00 0.00 N ATOM 0 H ARG A 24 12.813 9.942 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 24 15.575 10.495 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.962 11.249 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.337 12.400 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.480 13.493 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.265 12.240 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.879 14.005 -3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.651 12.809 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 24 13.957 15.055 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.662 13.530 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.194 14.420 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.060 16.172 -2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.293 15.906 -3.815 1.00 0.00 H new ATOM 334 N ASN A 25 15.553 11.457 2.074 1.00 0.00 N ATOM 335 CA ASN A 25 15.596 12.100 3.371 1.00 0.00 C ATOM 336 C ASN A 25 15.889 13.583 3.210 1.00 0.00 C ATOM 337 O ASN A 25 16.303 14.016 2.127 1.00 0.00 O ATOM 338 CB ASN A 25 16.608 11.432 4.319 1.00 0.00 C ATOM 339 CG ASN A 25 18.052 11.507 3.858 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.455 12.426 3.155 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.848 10.538 4.275 1.00 0.00 N ATOM 0 H ASN A 25 16.383 10.913 1.837 1.00 0.00 H new ATOM 0 HA ASN A 25 14.615 11.983 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.529 11.899 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.334 10.384 4.442 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.834 10.539 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.477 9.789 4.859 1.00 0.00 H new ATOM 347 N ALA A 26 15.699 14.343 4.283 1.00 0.00 N ATOM 348 CA ALA A 26 15.914 15.789 4.265 1.00 0.00 C ATOM 349 C ALA A 26 17.303 16.162 3.749 1.00 0.00 C ATOM 350 O ALA A 26 17.479 17.203 3.109 1.00 0.00 O ATOM 351 CB ALA A 26 15.704 16.357 5.657 1.00 0.00 C ATOM 0 H ALA A 26 15.394 13.979 5.185 1.00 0.00 H new ATOM 0 HA ALA A 26 15.188 16.221 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.865 17.435 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.686 16.148 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.410 15.896 6.348 1.00 0.00 H new ATOM 357 N ASP A 27 18.275 15.296 4.003 1.00 0.00 N ATOM 358 CA ASP A 27 19.650 15.536 3.578 1.00 0.00 C ATOM 359 C ASP A 27 19.779 15.406 2.059 1.00 0.00 C ATOM 360 O ASP A 27 20.730 15.903 1.452 1.00 0.00 O ATOM 361 CB ASP A 27 20.582 14.545 4.281 1.00 0.00 C ATOM 362 CG ASP A 27 22.044 14.812 3.998 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.660 15.612 4.738 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.588 14.220 3.049 1.00 0.00 O ATOM 0 H ASP A 27 18.137 14.418 4.503 1.00 0.00 H new ATOM 0 HA ASP A 27 19.933 16.552 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.410 14.592 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.334 13.532 3.963 1.00 0.00 H new ATOM 368 N GLY A 28 18.790 14.768 1.452 1.00 0.00 N ATOM 369 CA GLY A 28 18.792 14.566 0.013 1.00 0.00 C ATOM 370 C GLY A 28 19.361 13.217 -0.357 1.00 0.00 C ATOM 371 O GLY A 28 19.914 13.036 -1.443 1.00 0.00 O ATOM 0 H GLY A 28 17.978 14.382 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.774 14.650 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.377 15.352 -0.465 1.00 0.00 H new ATOM 375 N ASN A 29 19.213 12.265 0.549 1.00 0.00 N ATOM 376 CA ASN A 29 19.736 10.913 0.345 1.00 0.00 C ATOM 377 C ASN A 29 18.583 9.925 0.215 1.00 0.00 C ATOM 378 O ASN A 29 17.454 10.243 0.576 1.00 0.00 O ATOM 379 CB ASN A 29 20.623 10.513 1.531 1.00 0.00 C ATOM 380 CG ASN A 29 21.683 9.483 1.171 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.535 8.715 0.220 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.756 9.447 1.946 1.00 0.00 N ATOM 0 H ASN A 29 18.733 12.399 1.439 1.00 0.00 H new ATOM 0 HA ASN A 29 20.328 10.897 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.112 11.403 1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.994 10.114 2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.494 8.767 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.844 10.099 2.725 1.00 0.00 H new ATOM 388 N TRP A 30 18.867 8.734 -0.291 1.00 0.00 N ATOM 389 CA TRP A 30 17.846 7.712 -0.460 1.00 0.00 C ATOM 390 C TRP A 30 17.987 6.627 0.598 1.00 0.00 C ATOM 391 O TRP A 30 19.000 5.933 0.656 1.00 0.00 O ATOM 392 CB TRP A 30 17.932 7.083 -1.850 1.00 0.00 C ATOM 393 CG TRP A 30 17.683 8.051 -2.960 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.606 8.562 -3.820 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.426 8.630 -3.328 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.001 9.418 -4.705 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.662 9.477 -4.422 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.126 8.510 -2.840 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.645 10.204 -5.032 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.115 9.231 -3.447 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.379 10.066 -4.534 1.00 0.00 C ATOM 0 H TRP A 30 19.800 8.451 -0.592 1.00 0.00 H new ATOM 0 HA TRP A 30 16.875 8.194 -0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.920 6.641 -1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.208 6.271 -1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.660 8.328 -3.807 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.472 9.928 -5.453 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.912 7.864 -2.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.848 10.855 -5.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.105 9.147 -3.074 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.568 10.614 -4.990 1.00 0.00 H new ATOM 411 N VAL A 31 16.972 6.497 1.434 1.00 0.00 N ATOM 412 CA VAL A 31 16.967 5.493 2.486 1.00 0.00 C ATOM 413 C VAL A 31 15.811 4.518 2.296 1.00 0.00 C ATOM 414 O VAL A 31 14.699 4.917 1.952 1.00 0.00 O ATOM 415 CB VAL A 31 16.881 6.130 3.889 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.228 6.699 4.307 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.823 7.219 3.933 1.00 0.00 C ATOM 0 H VAL A 31 16.134 7.078 1.405 1.00 0.00 H new ATOM 0 HA VAL A 31 17.911 4.953 2.415 1.00 0.00 H new ATOM 0 HB VAL A 31 16.597 5.345 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.143 7.143 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.969 5.900 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.538 7.462 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.785 7.649 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.072 7.998 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.851 6.792 3.685 1.00 0.00 H new ATOM 427 N THR A 32 16.084 3.240 2.505 1.00 0.00 N ATOM 428 CA THR A 32 15.075 2.209 2.350 1.00 0.00 C ATOM 429 C THR A 32 14.177 2.129 3.579 1.00 0.00 C ATOM 430 O THR A 32 14.630 1.793 4.676 1.00 0.00 O ATOM 431 CB THR A 32 15.720 0.832 2.109 1.00 0.00 C ATOM 432 OG1 THR A 32 16.733 0.936 1.095 1.00 0.00 O ATOM 433 CG2 THR A 32 14.672 -0.186 1.686 1.00 0.00 C ATOM 0 H THR A 32 17.002 2.892 2.784 1.00 0.00 H new ATOM 0 HA THR A 32 14.473 2.480 1.483 1.00 0.00 H new ATOM 0 HB THR A 32 16.174 0.497 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.140 0.057 0.948 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.149 -1.152 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.920 -0.282 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.194 0.145 0.764 1.00 0.00 H new ATOM 441 N SER A 33 12.912 2.450 3.390 1.00 0.00 N ATOM 442 CA SER A 33 11.944 2.403 4.468 1.00 0.00 C ATOM 443 C SER A 33 10.749 1.545 4.067 1.00 0.00 C ATOM 444 O SER A 33 10.388 1.487 2.890 1.00 0.00 O ATOM 445 CB SER A 33 11.497 3.817 4.833 1.00 0.00 C ATOM 446 OG SER A 33 12.576 4.571 5.373 1.00 0.00 O ATOM 0 H SER A 33 12.529 2.748 2.493 1.00 0.00 H new ATOM 0 HA SER A 33 12.410 1.952 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.106 4.318 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.684 3.769 5.557 1.00 0.00 H new ATOM 0 HG SER A 33 12.524 5.495 5.049 1.00 0.00 H new ATOM 451 N GLU A 34 10.152 0.872 5.041 1.00 0.00 N ATOM 452 CA GLU A 34 9.006 0.008 4.787 1.00 0.00 C ATOM 453 C GLU A 34 7.883 0.289 5.779 1.00 0.00 C ATOM 454 O GLU A 34 8.134 0.539 6.959 1.00 0.00 O ATOM 455 CB GLU A 34 9.411 -1.467 4.875 1.00 0.00 C ATOM 456 CG GLU A 34 10.453 -1.887 3.849 1.00 0.00 C ATOM 457 CD GLU A 34 10.798 -3.361 3.940 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.488 -3.752 4.906 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.383 -4.134 3.048 1.00 0.00 O ATOM 0 H GLU A 34 10.443 0.908 6.018 1.00 0.00 H new ATOM 0 HA GLU A 34 8.648 0.220 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.799 -1.667 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.522 -2.085 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.082 -1.665 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.358 -1.296 3.992 1.00 0.00 H new ATOM 464 N LEU A 35 6.648 0.251 5.297 1.00 0.00 N ATOM 465 CA LEU A 35 5.482 0.487 6.146 1.00 0.00 C ATOM 466 C LEU A 35 4.392 -0.523 5.802 1.00 0.00 C ATOM 467 O LEU A 35 4.030 -0.685 4.635 1.00 0.00 O ATOM 468 CB LEU A 35 4.961 1.924 5.951 1.00 0.00 C ATOM 469 CG LEU A 35 4.117 2.522 7.097 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.754 1.856 7.193 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.858 2.404 8.423 1.00 0.00 C ATOM 0 H LEU A 35 6.425 0.059 4.320 1.00 0.00 H new ATOM 0 HA LEU A 35 5.767 0.365 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.818 2.576 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.362 1.947 5.041 1.00 0.00 H new ATOM 0 HG LEU A 35 3.958 3.577 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.188 2.302 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.213 1.997 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.882 0.790 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.248 2.831 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.053 1.354 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.803 2.943 8.361 1.00 0.00 H new ATOM 482 N ASP A 36 3.892 -1.215 6.814 1.00 0.00 N ATOM 483 CA ASP A 36 2.832 -2.202 6.617 1.00 0.00 C ATOM 484 C ASP A 36 1.488 -1.490 6.549 1.00 0.00 C ATOM 485 O ASP A 36 0.995 -0.984 7.558 1.00 0.00 O ATOM 486 CB ASP A 36 2.803 -3.224 7.761 1.00 0.00 C ATOM 487 CG ASP A 36 4.037 -4.099 7.822 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.114 -5.084 7.057 1.00 0.00 O ATOM 489 OD2 ASP A 36 4.930 -3.823 8.653 1.00 0.00 O ATOM 0 H ASP A 36 4.200 -1.114 7.781 1.00 0.00 H new ATOM 0 HA ASP A 36 3.029 -2.733 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.696 -2.694 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.923 -3.858 7.649 1.00 0.00 H new ATOM 493 N LEU A 37 0.889 -1.460 5.369 1.00 0.00 N ATOM 494 CA LEU A 37 -0.390 -0.783 5.191 1.00 0.00 C ATOM 495 C LEU A 37 -1.551 -1.660 5.623 1.00 0.00 C ATOM 496 O LEU A 37 -2.619 -1.158 5.965 1.00 0.00 O ATOM 497 CB LEU A 37 -0.601 -0.394 3.733 1.00 0.00 C ATOM 498 CG LEU A 37 0.651 -0.004 2.965 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.283 0.351 1.539 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.363 1.151 3.648 1.00 0.00 C ATOM 0 H LEU A 37 1.263 -1.893 4.524 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.360 0.110 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.074 -1.230 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.301 0.440 3.697 1.00 0.00 H new ATOM 0 HG LEU A 37 1.337 -0.851 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.182 0.630 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.183 -0.509 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.416 1.188 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.256 1.414 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.697 2.012 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.648 0.857 4.658 1.00 0.00 H new ATOM 511 N ASP A 38 -1.339 -2.970 5.628 1.00 0.00 N ATOM 512 CA ASP A 38 -2.395 -3.913 5.993 1.00 0.00 C ATOM 513 C ASP A 38 -2.782 -3.776 7.457 1.00 0.00 C ATOM 514 O ASP A 38 -3.725 -4.407 7.918 1.00 0.00 O ATOM 515 CB ASP A 38 -1.980 -5.354 5.693 1.00 0.00 C ATOM 516 CG ASP A 38 -0.978 -5.894 6.683 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.048 -5.224 6.918 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.206 -7.003 7.208 1.00 0.00 O ATOM 0 H ASP A 38 -0.449 -3.405 5.385 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.265 -3.669 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.865 -5.990 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.555 -5.403 4.690 1.00 0.00 H new ATOM 522 N THR A 39 -2.049 -2.953 8.183 1.00 0.00 N ATOM 523 CA THR A 39 -2.341 -2.712 9.581 1.00 0.00 C ATOM 524 C THR A 39 -3.542 -1.775 9.703 1.00 0.00 C ATOM 525 O THR A 39 -4.230 -1.745 10.729 1.00 0.00 O ATOM 526 CB THR A 39 -1.122 -2.105 10.304 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.704 -0.903 9.642 1.00 0.00 O ATOM 528 CG2 THR A 39 0.030 -3.099 10.336 1.00 0.00 C ATOM 0 H THR A 39 -1.244 -2.439 7.825 1.00 0.00 H new ATOM 0 HA THR A 39 -2.575 -3.666 10.054 1.00 0.00 H new ATOM 0 HB THR A 39 -1.412 -1.870 11.328 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.017 -1.111 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.881 -2.653 10.850 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.281 -4.000 10.864 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.316 -3.357 9.316 1.00 0.00 H new ATOM 536 N CYS A 40 -3.798 -1.022 8.636 1.00 0.00 N ATOM 537 CA CYS A 40 -4.909 -0.086 8.616 1.00 0.00 C ATOM 538 C CYS A 40 -5.788 -0.277 7.373 1.00 0.00 C ATOM 539 O CYS A 40 -6.898 0.242 7.316 1.00 0.00 O ATOM 540 CB CYS A 40 -4.384 1.350 8.688 1.00 0.00 C ATOM 541 SG CYS A 40 -5.668 2.597 8.959 1.00 0.00 S ATOM 0 H CYS A 40 -3.249 -1.045 7.777 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.532 -0.283 9.489 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.652 1.417 9.493 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.860 1.580 7.760 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.118 3.771 9.062 1.00 0.00 H new ATOM 546 N ILE A 41 -5.295 -1.005 6.375 1.00 0.00 N ATOM 547 CA ILE A 41 -6.077 -1.258 5.165 1.00 0.00 C ATOM 548 C ILE A 41 -6.712 -2.639 5.231 1.00 0.00 C ATOM 549 O ILE A 41 -6.052 -3.618 5.587 1.00 0.00 O ATOM 550 CB ILE A 41 -5.230 -1.174 3.872 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.589 0.205 3.726 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.089 -1.482 2.647 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.785 0.367 2.452 1.00 0.00 C ATOM 0 H ILE A 41 -4.367 -1.427 6.378 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.838 -0.479 5.125 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.437 -1.918 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.370 0.964 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.939 0.387 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.476 -1.418 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.501 -2.487 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.904 -0.761 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.359 1.370 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.981 -0.369 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.435 0.217 1.590 1.00 0.00 H new ATOM 564 N GLY A 42 -7.990 -2.714 4.893 1.00 0.00 N ATOM 565 CA GLY A 42 -8.692 -3.977 4.911 1.00 0.00 C ATOM 566 C GLY A 42 -9.829 -4.002 3.919 1.00 0.00 C ATOM 567 O GLY A 42 -10.227 -2.952 3.405 1.00 0.00 O ATOM 0 H GLY A 42 -8.556 -1.916 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.995 -4.783 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.080 -4.163 5.913 1.00 0.00 H new ATOM 571 N ASN A 43 -10.346 -5.194 3.635 1.00 0.00 N ATOM 572 CA ASN A 43 -11.442 -5.343 2.682 1.00 0.00 C ATOM 573 C ASN A 43 -12.143 -6.706 2.790 1.00 0.00 C ATOM 574 O ASN A 43 -12.303 -7.401 1.789 1.00 0.00 O ATOM 575 CB ASN A 43 -10.929 -5.135 1.252 1.00 0.00 C ATOM 576 CG ASN A 43 -9.717 -5.990 0.919 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.533 -5.434 1.099 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -9.841 -7.128 0.482 1.00 0.00 N flip ATOM 0 H ASN A 43 -10.025 -6.069 4.050 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.181 -4.580 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.730 -5.363 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.673 -4.084 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.771 -7.527 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.014 -7.676 0.245 1.00 0.00 H new ATOM 584 N PRO A 44 -12.621 -7.097 3.989 1.00 0.00 N ATOM 585 CA PRO A 44 -13.310 -8.379 4.164 1.00 0.00 C ATOM 586 C PRO A 44 -14.709 -8.344 3.550 1.00 0.00 C ATOM 587 O PRO A 44 -15.282 -9.380 3.200 1.00 0.00 O ATOM 588 CB PRO A 44 -13.376 -8.546 5.681 1.00 0.00 C ATOM 589 CG PRO A 44 -13.351 -7.158 6.221 1.00 0.00 C ATOM 590 CD PRO A 44 -12.554 -6.331 5.247 1.00 0.00 C ATOM 0 HA PRO A 44 -12.798 -9.205 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.283 -9.071 5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.533 -9.129 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.362 -6.765 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.896 -7.136 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.978 -5.334 5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.525 -6.202 5.582 1.00 0.00 H new ATOM 595 N ASN A 45 -15.243 -7.133 3.409 1.00 0.00 N ATOM 596 CA ASN A 45 -16.561 -6.938 2.820 1.00 0.00 C ATOM 597 C ASN A 45 -16.432 -6.881 1.309 1.00 0.00 C ATOM 598 O ASN A 45 -17.408 -7.053 0.578 1.00 0.00 O ATOM 599 CB ASN A 45 -17.198 -5.638 3.322 1.00 0.00 C ATOM 600 CG ASN A 45 -17.479 -5.649 4.813 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.770 -6.691 5.398 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.380 -4.486 5.441 1.00 0.00 N ATOM 0 H ASN A 45 -14.780 -6.271 3.696 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.198 -7.773 3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.537 -4.803 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.130 -5.466 2.784 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.548 -4.433 6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.136 -3.644 4.920 1.00 0.00 H new ATOM 608 N GLY A 46 -15.210 -6.658 0.850 1.00 0.00 N ATOM 609 CA GLY A 46 -14.958 -6.580 -0.567 1.00 0.00 C ATOM 610 C GLY A 46 -14.719 -5.169 -1.051 1.00 0.00 C ATOM 611 O GLY A 46 -14.765 -4.907 -2.251 1.00 0.00 O ATOM 0 H GLY A 46 -14.387 -6.530 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.090 -7.193 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.807 -7.003 -1.104 1.00 0.00 H new ATOM 615 N PHE A 47 -14.492 -4.250 -0.125 1.00 0.00 N ATOM 616 CA PHE A 47 -14.231 -2.866 -0.486 1.00 0.00 C ATOM 617 C PHE A 47 -12.922 -2.396 0.126 1.00 0.00 C ATOM 618 O PHE A 47 -12.661 -2.622 1.307 1.00 0.00 O ATOM 619 CB PHE A 47 -15.387 -1.967 -0.052 1.00 0.00 C ATOM 620 CG PHE A 47 -16.661 -2.252 -0.797 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.725 -2.058 -2.169 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.787 -2.711 -0.133 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.888 -2.321 -2.866 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.955 -2.974 -0.826 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.006 -2.776 -2.194 1.00 0.00 C ATOM 0 H PHE A 47 -14.483 -4.437 0.878 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.144 -2.803 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.560 -2.096 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.108 -0.925 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.855 -1.697 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.753 -2.865 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.923 -2.171 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.827 -3.334 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.918 -2.977 -2.736 1.00 0.00 H new ATOM 634 N LEU A 48 -12.114 -1.732 -0.680 1.00 0.00 N ATOM 635 CA LEU A 48 -10.814 -1.245 -0.240 1.00 0.00 C ATOM 636 C LEU A 48 -10.945 0.078 0.491 1.00 0.00 C ATOM 637 O LEU A 48 -11.589 1.008 0.003 1.00 0.00 O ATOM 638 CB LEU A 48 -9.890 -1.063 -1.446 1.00 0.00 C ATOM 639 CG LEU A 48 -9.452 -2.352 -2.135 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.633 -2.038 -3.375 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.648 -3.214 -1.181 1.00 0.00 C ATOM 0 H LEU A 48 -12.336 -1.515 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.393 -1.982 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.396 -0.433 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.000 -0.523 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.343 -2.902 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.328 -2.968 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.235 -1.451 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.748 -1.469 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.343 -4.130 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.763 -2.668 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.259 -3.465 -0.314 1.00 0.00 H new ATOM 652 N GLY A 49 -10.342 0.154 1.663 1.00 0.00 N ATOM 653 CA GLY A 49 -10.388 1.370 2.436 1.00 0.00 C ATOM 654 C GLY A 49 -9.573 1.263 3.701 1.00 0.00 C ATOM 655 O GLY A 49 -9.030 0.198 4.010 1.00 0.00 O ATOM 0 H GLY A 49 -9.819 -0.609 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.015 2.198 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.423 1.600 2.689 1.00 0.00 H new ATOM 659 N TRP A 50 -9.488 2.361 4.432 1.00 0.00 N ATOM 660 CA TRP A 50 -8.734 2.398 5.668 1.00 0.00 C ATOM 661 C TRP A 50 -9.669 2.170 6.847 1.00 0.00 C ATOM 662 O TRP A 50 -10.674 2.866 6.998 1.00 0.00 O ATOM 663 CB TRP A 50 -8.002 3.738 5.810 1.00 0.00 C ATOM 664 CG TRP A 50 -6.986 3.984 4.728 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.202 4.563 3.508 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.590 3.658 4.771 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.030 4.608 2.791 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.028 4.059 3.545 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.762 3.065 5.725 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.678 3.885 3.252 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.425 2.891 5.433 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.893 3.299 4.206 1.00 0.00 C ATOM 0 H TRP A 50 -9.936 3.244 4.186 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.987 1.604 5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.734 4.546 5.801 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.504 3.770 6.779 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.155 4.931 3.159 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.924 4.988 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.162 2.747 6.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.266 4.201 2.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.778 2.431 6.165 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.842 3.148 4.008 1.00 0.00 H new ATOM 682 N GLY A 51 -9.340 1.185 7.665 1.00 0.00 N ATOM 683 CA GLY A 51 -10.151 0.861 8.823 1.00 0.00 C ATOM 684 C GLY A 51 -9.883 -0.542 9.309 1.00 0.00 C ATOM 685 O GLY A 51 -9.414 -0.749 10.428 1.00 0.00 O ATOM 0 H GLY A 51 -8.516 0.596 7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.944 1.571 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.206 0.965 8.570 1.00 0.00 H new ATOM 689 N MET A 52 -10.169 -1.505 8.449 1.00 0.00 N ATOM 690 CA MET A 52 -9.963 -2.909 8.763 1.00 0.00 C ATOM 691 C MET A 52 -8.490 -3.259 8.558 1.00 0.00 C ATOM 692 O MET A 52 -7.724 -2.428 8.084 1.00 0.00 O ATOM 693 CB MET A 52 -10.873 -3.755 7.871 1.00 0.00 C ATOM 694 CG MET A 52 -10.937 -5.228 8.251 1.00 0.00 C ATOM 695 SD MET A 52 -11.446 -5.488 9.961 1.00 0.00 S ATOM 696 CE MET A 52 -13.068 -4.724 9.959 1.00 0.00 C ATOM 0 H MET A 52 -10.549 -1.337 7.517 1.00 0.00 H new ATOM 0 HA MET A 52 -10.216 -3.114 9.803 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.880 -3.340 7.904 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.528 -3.673 6.840 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.634 -5.740 7.588 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.958 -5.681 8.095 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.602 -5.002 10.867 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.960 -3.640 9.919 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.630 -5.065 9.089 1.00 0.00 H new ATOM 704 N GLN A 53 -8.085 -4.467 8.915 1.00 0.00 N ATOM 705 CA GLN A 53 -6.695 -4.863 8.765 1.00 0.00 C ATOM 706 C GLN A 53 -6.566 -6.197 8.038 1.00 0.00 C ATOM 707 O GLN A 53 -7.555 -6.916 7.866 1.00 0.00 O ATOM 708 CB GLN A 53 -6.030 -4.933 10.140 1.00 0.00 C ATOM 709 CG GLN A 53 -6.713 -5.888 11.104 1.00 0.00 C ATOM 710 CD GLN A 53 -6.372 -5.600 12.551 1.00 0.00 C ATOM 711 OE1 GLN A 53 -6.137 -4.451 12.927 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.326 -6.640 13.368 1.00 0.00 N ATOM 0 H GLN A 53 -8.694 -5.185 9.308 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.189 -4.113 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.991 -5.239 10.016 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.018 -3.935 10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.793 -5.823 10.970 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.423 -6.911 10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.528 -7.575 13.015 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.089 -6.506 14.351 1.00 0.00 H new ATOM 719 N ASN A 54 -5.338 -6.500 7.618 1.00 0.00 N ATOM 720 CA ASN A 54 -5.009 -7.737 6.909 1.00 0.00 C ATOM 721 C ASN A 54 -5.638 -7.793 5.524 1.00 0.00 C ATOM 722 O ASN A 54 -6.207 -8.812 5.132 1.00 0.00 O ATOM 723 CB ASN A 54 -5.415 -8.970 7.719 1.00 0.00 C ATOM 724 CG ASN A 54 -4.241 -9.584 8.452 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.517 -10.418 7.898 1.00 0.00 O ATOM 726 ND2 ASN A 54 -4.046 -9.190 9.701 1.00 0.00 N ATOM 0 H ASN A 54 -4.535 -5.887 7.762 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.926 -7.740 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.186 -8.693 8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.854 -9.712 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.274 -9.578 10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.668 -8.499 10.121 1.00 0.00 H new ATOM 732 N PHE A 55 -5.505 -6.708 4.767 1.00 0.00 N ATOM 733 CA PHE A 55 -6.065 -6.654 3.425 1.00 0.00 C ATOM 734 C PHE A 55 -5.289 -7.568 2.483 1.00 0.00 C ATOM 735 O PHE A 55 -5.833 -8.058 1.504 1.00 0.00 O ATOM 736 CB PHE A 55 -6.061 -5.219 2.881 1.00 0.00 C ATOM 737 CG PHE A 55 -4.785 -4.806 2.194 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.637 -4.555 2.920 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.744 -4.665 0.814 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.466 -4.174 2.289 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.579 -4.283 0.176 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.438 -4.036 0.916 1.00 0.00 C ATOM 0 H PHE A 55 -5.018 -5.861 5.059 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.098 -6.998 3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.887 -5.110 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.251 -4.532 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.654 -4.658 3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.633 -4.856 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.575 -3.985 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.560 -4.178 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.526 -3.736 0.421 1.00 0.00 H new ATOM 751 N SER A 56 -4.024 -7.807 2.804 1.00 0.00 N ATOM 752 CA SER A 56 -3.167 -8.646 1.981 1.00 0.00 C ATOM 753 C SER A 56 -3.734 -10.060 1.872 1.00 0.00 C ATOM 754 O SER A 56 -3.699 -10.675 0.807 1.00 0.00 O ATOM 755 CB SER A 56 -1.753 -8.673 2.566 1.00 0.00 C ATOM 756 OG SER A 56 -0.858 -9.408 1.747 1.00 0.00 O ATOM 0 H SER A 56 -3.568 -7.428 3.634 1.00 0.00 H new ATOM 0 HA SER A 56 -3.125 -8.226 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.387 -7.653 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.780 -9.115 3.562 1.00 0.00 H new ATOM 0 HG SER A 56 0.035 -9.402 2.151 1.00 0.00 H new ATOM 761 N HIS A 57 -4.292 -10.557 2.968 1.00 0.00 N ATOM 762 CA HIS A 57 -4.864 -11.897 2.989 1.00 0.00 C ATOM 763 C HIS A 57 -6.266 -11.918 2.387 1.00 0.00 C ATOM 764 O HIS A 57 -6.884 -12.975 2.278 1.00 0.00 O ATOM 765 CB HIS A 57 -4.894 -12.454 4.412 1.00 0.00 C ATOM 766 CG HIS A 57 -3.554 -12.913 4.897 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.915 -12.352 5.977 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.732 -13.886 4.439 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.757 -12.957 6.163 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.620 -13.893 5.245 1.00 0.00 N ATOM 0 H HIS A 57 -4.361 -10.054 3.853 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.224 -12.532 2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.274 -11.687 5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.593 -13.289 4.453 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.279 -11.588 6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.916 -14.536 3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.041 -12.724 6.938 1.00 0.00 H new ATOM 778 N SER A 58 -6.768 -10.753 2.001 1.00 0.00 N ATOM 779 CA SER A 58 -8.096 -10.660 1.415 1.00 0.00 C ATOM 780 C SER A 58 -8.061 -9.974 0.050 1.00 0.00 C ATOM 781 O SER A 58 -9.091 -9.557 -0.466 1.00 0.00 O ATOM 782 CB SER A 58 -9.040 -9.906 2.361 1.00 0.00 C ATOM 783 OG SER A 58 -9.133 -10.558 3.616 1.00 0.00 O ATOM 0 H SER A 58 -6.277 -9.863 2.083 1.00 0.00 H new ATOM 0 HA SER A 58 -8.467 -11.674 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.680 -8.887 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.030 -9.834 1.911 1.00 0.00 H new ATOM 0 HG SER A 58 -9.739 -10.057 4.201 1.00 0.00 H new ATOM 788 N SER A 59 -6.888 -9.868 -0.553 1.00 0.00 N ATOM 789 CA SER A 59 -6.790 -9.216 -1.852 1.00 0.00 C ATOM 790 C SER A 59 -5.988 -10.044 -2.846 1.00 0.00 C ATOM 791 O SER A 59 -5.079 -10.791 -2.476 1.00 0.00 O ATOM 792 CB SER A 59 -6.178 -7.825 -1.712 1.00 0.00 C ATOM 793 OG SER A 59 -6.992 -6.984 -0.907 1.00 0.00 O ATOM 0 H SER A 59 -6.007 -10.216 -0.175 1.00 0.00 H new ATOM 0 HA SER A 59 -7.804 -9.122 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.185 -7.905 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.053 -7.379 -2.699 1.00 0.00 H new ATOM 0 HG SER A 59 -6.808 -7.160 0.039 1.00 0.00 H new ATOM 798 N GLU A 60 -6.351 -9.902 -4.111 1.00 0.00 N ATOM 799 CA GLU A 60 -5.699 -10.613 -5.199 1.00 0.00 C ATOM 800 C GLU A 60 -5.112 -9.607 -6.176 1.00 0.00 C ATOM 801 O GLU A 60 -5.738 -8.585 -6.453 1.00 0.00 O ATOM 802 CB GLU A 60 -6.714 -11.495 -5.926 1.00 0.00 C ATOM 803 CG GLU A 60 -7.594 -12.302 -4.988 1.00 0.00 C ATOM 804 CD GLU A 60 -8.654 -13.099 -5.714 1.00 0.00 C ATOM 805 OE1 GLU A 60 -9.129 -12.650 -6.779 1.00 0.00 O ATOM 806 OE2 GLU A 60 -9.019 -14.185 -5.221 1.00 0.00 O ATOM 0 H GLU A 60 -7.108 -9.289 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.905 -11.240 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.346 -10.867 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.182 -12.177 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.970 -12.981 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.075 -11.628 -4.280 1.00 0.00 H new ATOM 811 N ASP A 61 -3.914 -9.888 -6.681 1.00 0.00 N ATOM 812 CA ASP A 61 -3.255 -9.001 -7.642 1.00 0.00 C ATOM 813 C ASP A 61 -3.005 -7.627 -7.020 1.00 0.00 C ATOM 814 O ASP A 61 -3.667 -6.642 -7.349 1.00 0.00 O ATOM 815 CB ASP A 61 -4.099 -8.886 -8.923 1.00 0.00 C ATOM 816 CG ASP A 61 -3.509 -7.939 -9.952 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.349 -8.140 -10.362 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.218 -6.999 -10.375 1.00 0.00 O ATOM 0 H ASP A 61 -3.378 -10.722 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.288 -9.427 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.205 -9.875 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.101 -8.546 -8.660 1.00 0.00 H new ATOM 822 N ILE A 62 -2.051 -7.579 -6.103 1.00 0.00 N ATOM 823 CA ILE A 62 -1.701 -6.344 -5.416 1.00 0.00 C ATOM 824 C ILE A 62 -0.509 -5.683 -6.095 1.00 0.00 C ATOM 825 O ILE A 62 0.595 -6.227 -6.090 1.00 0.00 O ATOM 826 CB ILE A 62 -1.358 -6.617 -3.935 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.527 -7.328 -3.246 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.019 -5.319 -3.215 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.246 -7.729 -1.812 1.00 0.00 C ATOM 0 H ILE A 62 -1.501 -8.388 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.563 -5.678 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.483 -7.266 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.399 -6.674 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.785 -8.219 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.780 -5.532 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.160 -4.850 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.874 -4.644 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.122 -8.226 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.395 -8.410 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.019 -6.840 -1.223 1.00 0.00 H new ATOM 840 N LYS A 63 -0.735 -4.520 -6.694 1.00 0.00 N ATOM 841 CA LYS A 63 0.333 -3.804 -7.378 1.00 0.00 C ATOM 842 C LYS A 63 0.091 -2.298 -7.335 1.00 0.00 C ATOM 843 O LYS A 63 -1.050 -1.844 -7.290 1.00 0.00 O ATOM 844 CB LYS A 63 0.438 -4.299 -8.821 1.00 0.00 C ATOM 845 CG LYS A 63 1.741 -3.930 -9.512 1.00 0.00 C ATOM 846 CD LYS A 63 2.110 -4.973 -10.551 1.00 0.00 C ATOM 847 CE LYS A 63 2.355 -6.325 -9.897 1.00 0.00 C ATOM 848 NZ LYS A 63 2.541 -7.406 -10.898 1.00 0.00 N ATOM 0 H LYS A 63 -1.643 -4.055 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 63 1.276 -4.001 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.329 -5.384 -8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.393 -3.890 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.643 -2.954 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.539 -3.846 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.310 -5.059 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.004 -4.657 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.238 -6.265 -9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.513 -6.572 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.705 -8.309 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.688 -7.483 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.360 -7.185 -11.499 1.00 0.00 H new ATOM 858 N LEU A 64 1.175 -1.534 -7.337 1.00 0.00 N ATOM 859 CA LEU A 64 1.109 -0.075 -7.286 1.00 0.00 C ATOM 860 C LEU A 64 1.014 0.540 -8.684 1.00 0.00 C ATOM 861 O LEU A 64 1.722 0.127 -9.601 1.00 0.00 O ATOM 862 CB LEU A 64 2.356 0.452 -6.574 1.00 0.00 C ATOM 863 CG LEU A 64 2.501 0.004 -5.122 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.931 0.200 -4.642 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.537 0.769 -4.235 1.00 0.00 C ATOM 0 H LEU A 64 2.124 -1.905 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 64 0.209 0.209 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.237 0.130 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.341 1.541 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 64 2.261 -1.058 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.014 -0.125 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.607 -0.389 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.198 1.254 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.652 0.439 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.751 1.836 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.514 0.583 -4.564 1.00 0.00 H new ATOM 876 N GLU A 65 0.138 1.539 -8.832 1.00 0.00 N ATOM 877 CA GLU A 65 -0.046 2.226 -10.114 1.00 0.00 C ATOM 878 C GLU A 65 0.872 3.436 -10.221 1.00 0.00 C ATOM 879 O GLU A 65 1.803 3.458 -11.025 1.00 0.00 O ATOM 880 CB GLU A 65 -1.485 2.718 -10.298 1.00 0.00 C ATOM 881 CG GLU A 65 -2.532 1.628 -10.364 1.00 0.00 C ATOM 882 CD GLU A 65 -3.838 2.139 -10.943 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.994 2.100 -12.184 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.705 2.595 -10.173 1.00 0.00 O ATOM 0 H GLU A 65 -0.455 1.890 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 65 0.192 1.495 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.732 3.388 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.537 3.306 -11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.161 0.804 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.708 1.231 -9.364 1.00 0.00 H new ATOM 889 N GLU A 66 0.602 4.434 -9.381 1.00 0.00 N ATOM 890 CA GLU A 66 1.360 5.686 -9.362 1.00 0.00 C ATOM 891 C GLU A 66 2.724 5.517 -8.719 1.00 0.00 C ATOM 892 O GLU A 66 3.150 6.336 -7.906 1.00 0.00 O ATOM 893 CB GLU A 66 0.567 6.740 -8.610 1.00 0.00 C ATOM 894 CG GLU A 66 -0.831 6.895 -9.144 1.00 0.00 C ATOM 895 CD GLU A 66 -0.855 7.473 -10.543 1.00 0.00 C ATOM 896 OE1 GLU A 66 -0.612 8.689 -10.690 1.00 0.00 O ATOM 897 OE2 GLU A 66 -1.099 6.714 -11.502 1.00 0.00 O ATOM 0 H GLU A 66 -0.150 4.398 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 66 1.521 5.997 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.522 6.473 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.086 7.696 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.325 5.924 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.402 7.541 -8.477 1.00 0.00 H new ATOM 902 N GLY A 67 3.371 4.424 -9.056 1.00 0.00 N ATOM 903 CA GLY A 67 4.696 4.132 -8.538 1.00 0.00 C ATOM 904 C GLY A 67 4.738 4.003 -7.026 1.00 0.00 C ATOM 905 O GLY A 67 5.812 4.025 -6.434 1.00 0.00 O ATOM 0 H GLY A 67 3.001 3.716 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.056 3.205 -8.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.381 4.922 -8.847 1.00 0.00 H new ATOM 909 N GLY A 68 3.574 3.882 -6.396 1.00 0.00 N ATOM 910 CA GLY A 68 3.539 3.746 -4.958 1.00 0.00 C ATOM 911 C GLY A 68 2.561 4.687 -4.295 1.00 0.00 C ATOM 912 O GLY A 68 2.231 4.513 -3.125 1.00 0.00 O ATOM 0 H GLY A 68 2.663 3.876 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.276 2.720 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.536 3.928 -4.558 1.00 0.00 H new ATOM 916 N ARG A 69 2.083 5.684 -5.033 1.00 0.00 N ATOM 917 CA ARG A 69 1.130 6.635 -4.474 1.00 0.00 C ATOM 918 C ARG A 69 -0.263 6.012 -4.436 1.00 0.00 C ATOM 919 O ARG A 69 -1.133 6.434 -3.673 1.00 0.00 O ATOM 920 CB ARG A 69 1.123 7.933 -5.292 1.00 0.00 C ATOM 921 CG ARG A 69 0.143 8.975 -4.778 1.00 0.00 C ATOM 922 CD ARG A 69 0.841 10.267 -4.392 1.00 0.00 C ATOM 923 NE ARG A 69 1.367 10.989 -5.550 1.00 0.00 N ATOM 924 CZ ARG A 69 0.721 11.985 -6.159 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.509 12.315 -5.784 1.00 0.00 N ATOM 926 NH2 ARG A 69 1.304 12.642 -7.153 1.00 0.00 N ATOM 0 H ARG A 69 2.336 5.853 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 69 1.431 6.880 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.126 8.359 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.879 7.698 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.604 9.181 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.389 8.578 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.141 10.908 -3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.658 10.043 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 69 2.280 10.715 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.965 11.806 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.998 13.077 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.245 12.386 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.811 13.404 -7.619 1.00 0.00 H new ATOM 937 N LYS A 70 -0.453 4.979 -5.244 1.00 0.00 N ATOM 938 CA LYS A 70 -1.731 4.296 -5.313 1.00 0.00 C ATOM 939 C LYS A 70 -1.525 2.797 -5.428 1.00 0.00 C ATOM 940 O LYS A 70 -0.626 2.342 -6.138 1.00 0.00 O ATOM 941 CB LYS A 70 -2.533 4.795 -6.509 1.00 0.00 C ATOM 942 CG LYS A 70 -3.985 4.357 -6.478 1.00 0.00 C ATOM 943 CD LYS A 70 -4.791 5.036 -7.562 1.00 0.00 C ATOM 944 CE LYS A 70 -6.240 4.591 -7.543 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.072 5.397 -8.470 1.00 0.00 N ATOM 0 H LYS A 70 0.264 4.597 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.283 4.509 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.489 5.884 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.070 4.432 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.043 3.276 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.415 4.589 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.740 6.117 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.354 4.812 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.301 3.539 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.634 4.678 -6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.057 5.065 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.033 6.398 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.710 5.294 -9.440 1.00 0.00 H new ATOM 955 N LEU A 71 -2.369 2.042 -4.745 1.00 0.00 N ATOM 956 CA LEU A 71 -2.284 0.594 -4.751 1.00 0.00 C ATOM 957 C LEU A 71 -3.563 0.001 -5.330 1.00 0.00 C ATOM 958 O LEU A 71 -4.667 0.405 -4.963 1.00 0.00 O ATOM 959 CB LEU A 71 -2.045 0.085 -3.320 1.00 0.00 C ATOM 960 CG LEU A 71 -1.810 -1.422 -3.160 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.981 -1.692 -1.914 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.131 -2.171 -3.065 1.00 0.00 C ATOM 0 H LEU A 71 -3.128 2.414 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.448 0.281 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.182 0.610 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.905 0.363 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.271 -1.776 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.820 -2.765 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.019 -1.187 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.509 -1.317 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.937 -3.238 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.692 -1.811 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.711 -2.002 -3.972 1.00 0.00 H new ATOM 973 N THR A 72 -3.405 -0.932 -6.249 1.00 0.00 N ATOM 974 CA THR A 72 -4.535 -1.596 -6.866 1.00 0.00 C ATOM 975 C THR A 72 -4.506 -3.083 -6.573 1.00 0.00 C ATOM 976 O THR A 72 -3.479 -3.743 -6.751 1.00 0.00 O ATOM 977 CB THR A 72 -4.575 -1.379 -8.389 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.242 -1.285 -8.917 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.365 -0.131 -8.734 1.00 0.00 C ATOM 0 H THR A 72 -2.496 -1.249 -6.587 1.00 0.00 H new ATOM 0 HA THR A 72 -5.433 -1.153 -6.436 1.00 0.00 H new ATOM 0 HB THR A 72 -5.072 -2.237 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.648 -1.880 -8.414 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.380 0.003 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.386 -0.234 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.897 0.736 -8.268 1.00 0.00 H new ATOM 987 N CYS A 73 -5.629 -3.593 -6.112 1.00 0.00 N ATOM 988 CA CYS A 73 -5.763 -4.997 -5.796 1.00 0.00 C ATOM 989 C CYS A 73 -7.231 -5.361 -5.830 1.00 0.00 C ATOM 990 O CYS A 73 -8.092 -4.482 -5.822 1.00 0.00 O ATOM 991 CB CYS A 73 -5.165 -5.307 -4.420 1.00 0.00 C ATOM 992 SG CYS A 73 -5.962 -4.446 -3.045 1.00 0.00 S ATOM 0 H CYS A 73 -6.473 -3.045 -5.946 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.218 -5.588 -6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.227 -6.381 -4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.107 -5.046 -4.431 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.502 -5.315 -2.243 1.00 0.00 H new ATOM 997 N ARG A 74 -7.523 -6.642 -5.898 1.00 0.00 N ATOM 998 CA ARG A 74 -8.895 -7.087 -5.924 1.00 0.00 C ATOM 999 C ARG A 74 -9.323 -7.551 -4.549 1.00 0.00 C ATOM 1000 O ARG A 74 -8.925 -8.628 -4.100 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.093 -8.214 -6.930 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.526 -8.713 -6.984 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.639 -10.011 -7.755 1.00 0.00 C ATOM 1004 NE ARG A 74 -12.030 -10.374 -8.002 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.512 -11.607 -7.883 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.730 -12.593 -7.463 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.779 -11.849 -8.183 1.00 0.00 N ATOM 0 H ARG A 74 -6.830 -7.389 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.512 -6.242 -6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.797 -7.867 -7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.434 -9.043 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.899 -8.858 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.157 -7.957 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.114 -9.916 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.148 -10.809 -7.198 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.674 -9.635 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.755 -12.406 -7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.104 -13.538 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.381 -11.091 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.153 -12.794 -8.093 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.109 -6.729 -3.855 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.623 -7.068 -2.539 1.00 0.00 C ATOM 1020 C PRO A 75 -11.613 -8.208 -2.653 1.00 0.00 C ATOM 1021 O PRO A 75 -12.648 -8.071 -3.307 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.323 -5.789 -2.081 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.669 -5.082 -3.339 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.568 -5.408 -4.304 1.00 0.00 C ATOM 0 HA PRO A 75 -9.849 -7.392 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.214 -6.013 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.671 -5.183 -1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.635 -5.413 -3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.742 -4.007 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.929 -5.435 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.767 -4.669 -4.266 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.274 -9.337 -2.061 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.130 -10.502 -2.103 1.00 0.00 C ATOM 1031 C LYS A 76 -12.545 -10.911 -0.704 1.00 0.00 C ATOM 1032 O LYS A 76 -11.753 -10.844 0.235 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.436 -11.660 -2.839 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.005 -11.941 -2.377 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.946 -12.940 -1.232 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.213 -14.361 -1.702 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.188 -14.853 -2.665 1.00 0.00 N ATOM 0 H LYS A 76 -10.406 -9.470 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.032 -10.247 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.030 -12.564 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.423 -11.439 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.424 -12.322 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.538 -11.007 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.965 -12.893 -0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.679 -12.665 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.242 -15.025 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.196 -14.405 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.138 -15.891 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.449 -14.562 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.261 -14.450 -2.421 1.00 0.00 H new ATOM 1047 N THR A 77 -13.797 -11.313 -0.562 1.00 0.00 N ATOM 1048 CA THR A 77 -14.296 -11.734 0.727 1.00 0.00 C ATOM 1049 C THR A 77 -13.767 -13.121 1.038 1.00 0.00 C ATOM 1050 O THR A 77 -13.841 -14.020 0.196 1.00 0.00 O ATOM 1051 CB THR A 77 -15.840 -11.738 0.779 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.280 -11.987 2.118 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.432 -12.789 -0.158 1.00 0.00 C ATOM 0 H THR A 77 -14.478 -11.355 -1.320 1.00 0.00 H new ATOM 0 HA THR A 77 -13.947 -11.020 1.473 1.00 0.00 H new ATOM 0 HB THR A 77 -16.187 -10.758 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.046 -11.224 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.520 -12.762 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.123 -12.579 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.076 -13.777 0.133 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.208 -13.282 2.230 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.658 -14.560 2.661 1.00 0.00 C ATOM 1063 C VAL A 78 -13.763 -15.562 2.971 1.00 0.00 C ATOM 1064 O VAL A 78 -13.498 -16.731 3.245 1.00 0.00 O ATOM 1065 CB VAL A 78 -11.751 -14.403 3.898 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -10.482 -13.655 3.533 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -12.487 -13.690 5.025 1.00 0.00 C ATOM 0 H VAL A 78 -13.123 -12.536 2.921 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.057 -14.935 1.833 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.478 -15.398 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.853 -13.553 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.941 -14.208 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.739 -12.666 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.826 -13.592 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.795 -12.700 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.367 -14.268 5.307 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.001 -15.092 2.930 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.146 -15.946 3.195 1.00 0.00 C ATOM 1079 C ASP A 79 -16.289 -16.979 2.084 1.00 0.00 C ATOM 1080 O ASP A 79 -16.690 -18.117 2.323 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.421 -15.109 3.298 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.549 -15.859 3.973 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.186 -16.710 3.323 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.805 -15.592 5.170 1.00 0.00 O ATOM 0 H ASP A 79 -15.237 -14.123 2.715 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.989 -16.460 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.210 -14.197 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.736 -14.806 2.299 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.938 -16.570 0.869 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.025 -17.464 -0.269 1.00 0.00 C ATOM 1090 C GLY A 80 -14.890 -17.270 -1.262 1.00 0.00 C ATOM 1091 O GLY A 80 -14.600 -18.159 -2.066 1.00 0.00 O ATOM 0 H GLY A 80 -15.595 -15.634 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.020 -18.495 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.976 -17.306 -0.777 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.248 -16.109 -1.219 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.155 -15.830 -2.124 1.00 0.00 C ATOM 1097 C GLY A 81 -13.604 -15.074 -3.351 1.00 0.00 C ATOM 1098 O GLY A 81 -12.857 -14.944 -4.320 1.00 0.00 O ATOM 0 H GLY A 81 -14.468 -15.354 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.393 -15.251 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.690 -16.768 -2.428 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.822 -14.564 -3.303 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.395 -13.836 -4.435 1.00 0.00 C ATOM 1104 C PHE A 82 -15.561 -12.367 -4.097 1.00 0.00 C ATOM 1105 O PHE A 82 -15.612 -12.033 -2.916 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.750 -14.441 -4.825 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.677 -14.678 -3.663 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.481 -13.659 -3.172 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.742 -15.924 -3.061 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.328 -13.882 -2.103 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.585 -16.151 -1.993 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.379 -15.129 -1.512 1.00 0.00 C ATOM 0 H PHE A 82 -15.439 -14.638 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.712 -13.923 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.240 -13.777 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.579 -15.388 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.444 -12.682 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.124 -16.728 -3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.950 -13.081 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.624 -17.128 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.039 -15.305 -0.675 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.628 -11.504 -5.130 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.826 -10.057 -4.949 1.00 0.00 C ATOM 1123 C ARG A 83 -15.513 -9.274 -6.228 1.00 0.00 C ATOM 1124 O ARG A 83 -15.626 -9.802 -7.332 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.960 -9.529 -3.828 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.701 -8.665 -2.824 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.565 -9.496 -1.885 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.889 -9.791 -2.436 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.966 -10.032 -1.685 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.889 -9.966 -0.360 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.129 -10.315 -2.253 1.00 0.00 N ATOM 0 H ARG A 83 -15.547 -11.790 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.878 -9.915 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.510 -10.372 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.143 -8.949 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.982 -8.089 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.328 -7.949 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.053 -10.432 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.681 -8.964 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.994 -9.814 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.004 -9.730 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.715 -10.151 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.205 -10.350 -3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.948 -10.498 -1.674 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.107 -8.013 -6.058 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.805 -7.122 -7.177 1.00 0.00 C ATOM 1144 C GLU A 84 -13.471 -6.417 -6.944 1.00 0.00 C ATOM 1145 O GLU A 84 -13.085 -6.187 -5.804 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.932 -6.091 -7.311 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.711 -5.041 -8.390 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.645 -5.634 -9.785 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.715 -5.908 -10.369 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -14.522 -5.814 -10.305 1.00 0.00 O ATOM 0 H GLU A 84 -14.979 -7.583 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.730 -7.703 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.863 -6.617 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.060 -5.586 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.518 -4.310 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.785 -4.505 -8.184 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.783 -6.067 -8.023 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.486 -5.398 -7.928 1.00 0.00 C ATOM 1157 C ARG A 85 -11.668 -3.890 -7.798 1.00 0.00 C ATOM 1158 O ARG A 85 -12.642 -3.333 -8.299 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.626 -5.716 -9.153 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.172 -5.278 -9.026 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.390 -5.613 -10.283 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.968 -5.289 -10.166 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.366 -4.337 -10.876 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.080 -3.551 -11.672 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.054 -4.171 -10.777 1.00 0.00 N ATOM 0 H ARG A 85 -13.100 -6.235 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.979 -5.768 -7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.656 -6.790 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.064 -5.233 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.127 -4.205 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.714 -5.769 -8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.500 -6.675 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.815 -5.068 -11.126 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.406 -5.823 -9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.090 -3.676 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.619 -2.822 -12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.509 -4.772 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.590 -3.443 -11.320 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.711 -3.241 -7.141 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.762 -1.793 -6.913 1.00 0.00 C ATOM 1178 C GLN A 86 -9.359 -1.208 -6.740 1.00 0.00 C ATOM 1179 O GLN A 86 -8.355 -1.899 -6.931 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.591 -1.487 -5.660 1.00 0.00 C ATOM 1181 CG GLN A 86 -13.093 -1.561 -5.876 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.861 -1.626 -4.575 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -14.217 -0.603 -3.992 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -14.121 -2.836 -4.110 1.00 0.00 N ATOM 0 H GLN A 86 -9.884 -3.695 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.226 -1.336 -7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.313 -2.188 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.335 -0.490 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.419 -0.689 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.328 -2.439 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.807 -3.659 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.635 -2.947 -3.236 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.305 0.071 -6.383 1.00 0.00 N ATOM 1192 CA GLY A 87 -8.042 0.751 -6.165 1.00 0.00 C ATOM 1193 C GLY A 87 -8.131 1.703 -4.989 1.00 0.00 C ATOM 1194 O GLY A 87 -9.174 2.319 -4.771 1.00 0.00 O ATOM 0 H GLY A 87 -10.128 0.656 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.257 0.017 -5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.762 1.302 -7.063 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.049 1.826 -4.234 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.026 2.699 -3.066 1.00 0.00 C ATOM 1200 C ILE A 88 -5.779 3.586 -3.072 1.00 0.00 C ATOM 1201 O ILE A 88 -4.678 3.133 -3.408 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.089 1.870 -1.751 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.986 2.779 -0.522 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.995 0.811 -1.728 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.071 2.033 0.797 1.00 0.00 C ATOM 0 H ILE A 88 -6.174 1.332 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.907 3.340 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.055 1.366 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.042 3.323 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.784 3.521 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.058 0.243 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.123 0.137 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.020 1.294 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.991 2.741 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.026 1.511 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.258 1.310 0.859 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.960 4.857 -2.732 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.851 5.803 -2.689 1.00 0.00 C ATOM 1218 C ASP A 89 -4.099 5.672 -1.378 1.00 0.00 C ATOM 1219 O ASP A 89 -4.704 5.575 -0.307 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.339 7.244 -2.858 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.865 7.529 -4.251 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.076 7.327 -4.486 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.073 7.962 -5.113 1.00 0.00 O ATOM 0 H ASP A 89 -6.865 5.256 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.183 5.567 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.125 7.444 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.520 7.928 -2.637 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.780 5.693 -1.462 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.936 5.562 -0.285 1.00 0.00 C ATOM 1229 C LEU A 90 -1.417 6.917 0.152 1.00 0.00 C ATOM 1230 O LEU A 90 -0.246 7.080 0.490 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.769 4.638 -0.578 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.149 3.292 -1.180 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.102 2.494 -1.454 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.092 2.532 -0.256 1.00 0.00 C ATOM 0 H LEU A 90 -2.267 5.800 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.536 5.139 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.087 5.145 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.222 4.463 0.348 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.676 3.457 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.168 1.530 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.736 3.039 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.644 2.335 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.350 1.574 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.603 2.362 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.999 3.116 -0.102 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.317 7.880 0.171 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.983 9.253 0.555 1.00 0.00 C ATOM 1247 C ASN A 91 -1.795 9.366 2.062 1.00 0.00 C ATOM 1248 O ASN A 91 -1.489 10.436 2.586 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.061 10.241 0.091 1.00 0.00 C ATOM 1250 CG ASN A 91 -3.017 10.530 -1.403 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.627 9.547 -2.201 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -3.331 11.639 -1.835 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.297 7.743 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.045 9.508 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.043 9.842 0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.945 11.177 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.627 12.372 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.296 11.825 -2.837 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.978 8.250 2.748 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.831 8.199 4.192 1.00 0.00 C ATOM 1260 C ARG A 92 -0.432 7.742 4.577 1.00 0.00 C ATOM 1261 O ARG A 92 -0.036 7.831 5.736 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.856 7.242 4.791 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.287 7.726 4.699 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.145 7.048 5.747 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.833 7.526 7.091 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.733 7.673 8.057 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -7.015 7.427 7.814 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.351 8.081 9.261 1.00 0.00 N ATOM 0 H ARG A 92 -2.231 7.359 2.322 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.995 9.203 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.777 6.280 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.609 7.072 5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.321 8.807 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.684 7.518 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.197 7.232 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.993 5.970 5.700 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.863 7.762 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.309 7.125 6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.706 7.540 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.368 8.281 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.041 8.194 10.004 1.00 0.00 H new ATOM 1279 N ILE A 93 0.309 7.244 3.604 1.00 0.00 N ATOM 1280 CA ILE A 93 1.655 6.761 3.855 1.00 0.00 C ATOM 1281 C ILE A 93 2.665 7.799 3.398 1.00 0.00 C ATOM 1282 O ILE A 93 2.788 8.076 2.201 1.00 0.00 O ATOM 1283 CB ILE A 93 1.911 5.418 3.137 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.740 4.465 3.380 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.210 4.785 3.624 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.456 4.208 4.851 1.00 0.00 C ATOM 0 H ILE A 93 0.003 7.163 2.634 1.00 0.00 H new ATOM 0 HA ILE A 93 1.765 6.594 4.926 1.00 0.00 H new ATOM 0 HB ILE A 93 2.001 5.609 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.155 4.877 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.948 3.515 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.371 3.840 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.042 5.458 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.147 4.604 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.387 3.523 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.336 3.767 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.215 5.149 5.345 1.00 0.00 H new ATOM 1297 N GLN A 94 3.376 8.388 4.349 1.00 0.00 N ATOM 1298 CA GLN A 94 4.353 9.413 4.027 1.00 0.00 C ATOM 1299 C GLN A 94 5.704 9.133 4.660 1.00 0.00 C ATOM 1300 O GLN A 94 5.827 8.339 5.592 1.00 0.00 O ATOM 1301 CB GLN A 94 3.861 10.785 4.480 1.00 0.00 C ATOM 1302 CG GLN A 94 2.661 11.286 3.707 1.00 0.00 C ATOM 1303 CD GLN A 94 2.779 12.755 3.380 1.00 0.00 C ATOM 1304 OE1 GLN A 94 2.340 13.615 4.141 1.00 0.00 O ATOM 1305 NE2 GLN A 94 3.392 13.048 2.248 1.00 0.00 N ATOM 0 H GLN A 94 3.294 8.174 5.343 1.00 0.00 H new ATOM 0 HA GLN A 94 4.475 9.403 2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.607 10.739 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.674 11.504 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.559 10.715 2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.756 11.115 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.740 12.300 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.518 14.022 1.973 1.00 0.00 H new ATOM 1312 N ASN A 95 6.713 9.798 4.126 1.00 0.00 N ATOM 1313 CA ASN A 95 8.075 9.674 4.610 1.00 0.00 C ATOM 1314 C ASN A 95 8.483 10.932 5.372 1.00 0.00 C ATOM 1315 O ASN A 95 8.401 12.045 4.852 1.00 0.00 O ATOM 1316 CB ASN A 95 9.051 9.418 3.450 1.00 0.00 C ATOM 1317 CG ASN A 95 9.022 10.500 2.375 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.973 11.070 2.062 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.179 10.792 1.803 1.00 0.00 N ATOM 0 H ASN A 95 6.610 10.442 3.341 1.00 0.00 H new ATOM 0 HA ASN A 95 8.117 8.820 5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.063 9.341 3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.814 8.457 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.223 11.509 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.027 10.301 2.087 1.00 0.00 H new ATOM 1325 N VAL A 96 8.915 10.749 6.609 1.00 0.00 N ATOM 1326 CA VAL A 96 9.339 11.860 7.443 1.00 0.00 C ATOM 1327 C VAL A 96 10.855 11.848 7.572 1.00 0.00 C ATOM 1328 O VAL A 96 11.415 11.011 8.270 1.00 0.00 O ATOM 1329 CB VAL A 96 8.701 11.796 8.849 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.088 13.011 9.677 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.188 11.680 8.749 1.00 0.00 C ATOM 0 H VAL A 96 8.981 9.836 7.059 1.00 0.00 H new ATOM 0 HA VAL A 96 9.008 12.783 6.966 1.00 0.00 H new ATOM 0 HB VAL A 96 9.082 10.907 9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.626 12.942 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.172 13.047 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.744 13.916 9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.759 11.636 9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.791 12.547 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.928 10.773 8.203 1.00 0.00 H new ATOM 1341 N ASN A 97 11.513 12.749 6.852 1.00 0.00 N ATOM 1342 CA ASN A 97 12.976 12.852 6.875 1.00 0.00 C ATOM 1343 C ASN A 97 13.641 11.555 6.418 1.00 0.00 C ATOM 1344 O ASN A 97 14.809 11.311 6.715 1.00 0.00 O ATOM 1345 CB ASN A 97 13.492 13.246 8.265 1.00 0.00 C ATOM 1346 CG ASN A 97 13.328 14.725 8.554 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.215 15.527 8.264 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.201 15.098 9.133 1.00 0.00 N ATOM 0 H ASN A 97 11.057 13.425 6.240 1.00 0.00 H new ATOM 0 HA ASN A 97 13.245 13.640 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.959 12.671 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.546 12.979 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.043 16.081 9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.489 14.403 9.358 1.00 0.00 H new ATOM 1354 N GLY A 98 12.889 10.717 5.716 1.00 0.00 N ATOM 1355 CA GLY A 98 13.443 9.477 5.207 1.00 0.00 C ATOM 1356 C GLY A 98 12.746 8.241 5.737 1.00 0.00 C ATOM 1357 O GLY A 98 12.742 7.204 5.079 1.00 0.00 O ATOM 0 H GLY A 98 11.907 10.873 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.381 9.481 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.501 9.427 5.466 1.00 0.00 H new ATOM 1361 N ARG A 99 12.145 8.345 6.910 1.00 0.00 N ATOM 1362 CA ARG A 99 11.459 7.206 7.514 1.00 0.00 C ATOM 1363 C ARG A 99 10.024 7.128 7.018 1.00 0.00 C ATOM 1364 O ARG A 99 9.392 8.152 6.787 1.00 0.00 O ATOM 1365 CB ARG A 99 11.479 7.325 9.039 1.00 0.00 C ATOM 1366 CG ARG A 99 10.572 8.413 9.591 1.00 0.00 C ATOM 1367 CD ARG A 99 11.292 9.260 10.622 1.00 0.00 C ATOM 1368 NE ARG A 99 11.839 8.445 11.705 1.00 0.00 N ATOM 1369 CZ ARG A 99 12.800 8.845 12.530 1.00 0.00 C ATOM 1370 NH1 ARG A 99 13.312 10.065 12.424 1.00 0.00 N ATOM 1371 NH2 ARG A 99 13.239 8.016 13.470 1.00 0.00 N ATOM 0 H ARG A 99 12.116 9.201 7.464 1.00 0.00 H new ATOM 0 HA ARG A 99 11.980 6.294 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.185 6.368 9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.501 7.520 9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.223 9.047 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.689 7.959 10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.098 9.813 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.602 9.997 11.034 1.00 0.00 H new ATOM 0 HE ARG A 99 11.458 7.508 11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.968 10.702 11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.050 10.366 13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.839 7.082 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.977 8.314 14.108 1.00 0.00 H new ATOM 1382 N LEU A 100 9.511 5.925 6.845 1.00 0.00 N ATOM 1383 CA LEU A 100 8.145 5.763 6.375 1.00 0.00 C ATOM 1384 C LEU A 100 7.208 5.625 7.568 1.00 0.00 C ATOM 1385 O LEU A 100 7.355 4.712 8.382 1.00 0.00 O ATOM 1386 CB LEU A 100 8.029 4.551 5.453 1.00 0.00 C ATOM 1387 CG LEU A 100 7.057 4.731 4.289 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.513 5.868 3.396 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.933 3.446 3.486 1.00 0.00 C ATOM 0 H LEU A 100 10.011 5.053 7.020 1.00 0.00 H new ATOM 0 HA LEU A 100 7.861 6.645 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.016 4.319 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.714 3.690 6.043 1.00 0.00 H new ATOM 0 HG LEU A 100 6.076 4.975 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.811 5.986 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.552 6.791 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.504 5.645 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.236 3.598 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.910 3.170 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.565 2.648 4.131 1.00 0.00 H new ATOM 1400 N VAL A 101 6.260 6.542 7.684 1.00 0.00 N ATOM 1401 CA VAL A 101 5.321 6.531 8.796 1.00 0.00 C ATOM 1402 C VAL A 101 3.887 6.631 8.292 1.00 0.00 C ATOM 1403 O VAL A 101 3.601 7.375 7.353 1.00 0.00 O ATOM 1404 CB VAL A 101 5.586 7.705 9.768 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.719 7.591 11.014 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.057 7.782 10.148 1.00 0.00 C ATOM 0 H VAL A 101 6.120 7.304 7.021 1.00 0.00 H new ATOM 0 HA VAL A 101 5.463 5.588 9.325 1.00 0.00 H new ATOM 0 HB VAL A 101 5.320 8.627 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.926 8.429 11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.667 7.606 10.728 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.942 6.656 11.528 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.213 8.616 10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.356 6.854 10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.657 7.931 9.251 1.00 0.00 H new ATOM 1416 N PHE A 102 2.994 5.867 8.906 1.00 0.00 N ATOM 1417 CA PHE A 102 1.590 5.898 8.537 1.00 0.00 C ATOM 1418 C PHE A 102 0.897 7.060 9.235 1.00 0.00 C ATOM 1419 O PHE A 102 1.035 7.245 10.448 1.00 0.00 O ATOM 1420 CB PHE A 102 0.889 4.580 8.888 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.603 4.728 9.027 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.414 4.920 7.916 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.192 4.711 10.282 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.773 5.084 8.056 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.554 4.883 10.426 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.343 5.069 9.311 1.00 0.00 C ATOM 0 H PHE A 102 3.219 5.219 9.661 1.00 0.00 H new ATOM 0 HA PHE A 102 1.527 6.033 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.105 3.842 8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.299 4.194 9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.973 4.941 6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.578 4.561 11.158 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.393 5.224 7.183 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.000 4.872 11.409 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.409 5.203 9.421 1.00 0.00 H new ATOM 1435 N GLN A 103 0.164 7.836 8.466 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.561 8.978 8.997 1.00 0.00 C ATOM 1437 C GLN A 103 -2.058 8.779 8.813 1.00 0.00 C ATOM 1438 O GLN A 103 -2.515 8.765 7.655 1.00 0.00 O ATOM 1439 CB GLN A 103 -0.107 10.264 8.301 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.489 11.534 9.045 1.00 0.00 C ATOM 1441 CD GLN A 103 0.219 11.671 10.383 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.434 11.151 10.478 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 -0.320 12.252 11.323 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.772 8.639 9.829 1.00 0.00 O ATOM 0 H GLN A 103 0.052 7.698 7.462 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.347 9.065 10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.976 10.237 8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.539 10.296 7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.252 12.398 8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.567 11.544 9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.257 12.640 11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.170 12.346 12.213 1.00 0.00 H new TER 1451 GLN A 103