USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1117 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 30 TYR OH : rot 137:sc= 0.0537 USER MOD Set 1.2: A 68 GLN : amide:sc= -0.137 X(o=-0.083,f=-0.01) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 160:sc= -0.848! USER MOD Single : A 29 THR OG1 : rot 100:sc= 0.367 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0014 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.3) USER MOD Single : A 49 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.42) USER MOD Single : A 54 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 162:sc= -0.0889 (180deg=-0.457) USER MOD Single : A 80 SER OG : rot -34:sc= 0.0068 USER MOD Single : A 86 THR OG1 : rot 88:sc= 1.31 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 150:sc= 0.552 USER MOD Single : A 99 MET CE :methyl 169:sc= -0.568 (180deg=-1.04) USER MOD Single : A 104 THR OG1 : rot 29:sc= 0.391 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 35:sc= 1.14 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.185 K(o=-0.19,f=-3.2) USER MOD Single : A 130 HIS :FLIP no HD1:sc= -0.871 F(o=-2!,f=-0.87) USER MOD Single : A 132 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.05) USER MOD Single : A 133 GLN : amide:sc=-0.00573 X(o=-0.0057,f=-0.46) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 TYR OH : rot 46:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.123 30.495 -3.258 1.00 0.00 N ATOM 2 CA MET A 1 -10.540 30.513 -2.913 1.00 52.33 C ATOM 3 C MET A 1 -10.696 29.631 -1.689 1.00 64.12 C ATOM 4 O MET A 1 -10.406 28.434 -1.759 1.00 12.22 O ATOM 5 CB MET A 1 -11.358 29.955 -4.092 1.00 14.42 C ATOM 6 CG MET A 1 -12.862 30.254 -4.094 1.00 15.42 C ATOM 7 SD MET A 1 -13.768 29.614 -2.677 1.00 41.11 S ATOM 8 CE MET A 1 -15.435 30.037 -3.157 1.00 12.33 C ATOM 0 H1 MET A 1 -8.962 31.089 -4.097 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.567 30.864 -2.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.828 29.519 -3.463 1.00 0.00 H new ATOM 0 HA MET A 1 -10.896 31.522 -2.707 1.00 52.33 H new ATOM 0 HB2 MET A 1 -10.933 30.347 -5.016 1.00 14.42 H new ATOM 0 HB3 MET A 1 -11.227 28.873 -4.114 1.00 14.42 H new ATOM 0 HG2 MET A 1 -13.002 31.334 -4.138 1.00 15.42 H new ATOM 0 HG3 MET A 1 -13.298 29.839 -5.003 1.00 15.42 H new ATOM 0 HE1 MET A 1 -16.130 29.709 -2.384 1.00 12.33 H new ATOM 0 HE2 MET A 1 -15.515 31.117 -3.282 1.00 12.33 H new ATOM 0 HE3 MET A 1 -15.679 29.544 -4.098 1.00 12.33 H new ATOM 18 N PRO A 2 -11.083 30.213 -0.536 1.00 10.44 N ATOM 19 CA PRO A 2 -11.221 29.473 0.720 1.00 31.12 C ATOM 20 C PRO A 2 -12.232 28.333 0.625 1.00 62.44 C ATOM 21 O PRO A 2 -13.420 28.549 0.317 1.00 4.54 O ATOM 22 CB PRO A 2 -11.701 30.522 1.722 1.00 73.32 C ATOM 23 CG PRO A 2 -11.338 31.829 1.116 1.00 75.13 C ATOM 24 CD PRO A 2 -11.409 31.636 -0.363 1.00 13.14 C ATOM 0 HA PRO A 2 -10.281 28.999 1.002 1.00 31.12 H new ATOM 0 HB2 PRO A 2 -12.776 30.448 1.886 1.00 73.32 H new ATOM 0 HB3 PRO A 2 -11.221 30.390 2.692 1.00 73.32 H new ATOM 0 HG2 PRO A 2 -12.024 32.612 1.440 1.00 75.13 H new ATOM 0 HG3 PRO A 2 -10.337 32.135 1.421 1.00 75.13 H new ATOM 0 HD2 PRO A 2 -12.400 31.872 -0.752 1.00 13.14 H new ATOM 0 HD3 PRO A 2 -10.700 32.277 -0.887 1.00 13.14 H new ATOM 32 N GLY A 3 -11.763 27.146 0.909 1.00 53.34 N ATOM 33 CA GLY A 3 -12.574 25.967 0.843 1.00 40.15 C ATOM 34 C GLY A 3 -12.519 25.213 2.132 1.00 22.11 C ATOM 35 O GLY A 3 -12.256 24.010 2.152 1.00 43.04 O ATOM 0 H GLY A 3 -10.799 26.973 1.195 1.00 53.34 H new ATOM 0 HA2 GLY A 3 -13.605 26.241 0.621 1.00 40.15 H new ATOM 0 HA3 GLY A 3 -12.231 25.329 0.028 1.00 40.15 H new ATOM 39 N ARG A 4 -12.687 25.944 3.214 1.00 22.23 N ATOM 40 CA ARG A 4 -12.712 25.382 4.559 1.00 0.23 C ATOM 41 C ARG A 4 -13.875 24.410 4.701 1.00 64.51 C ATOM 42 O ARG A 4 -14.971 24.651 4.174 1.00 2.25 O ATOM 43 CB ARG A 4 -12.796 26.477 5.664 1.00 12.05 C ATOM 44 CG ARG A 4 -14.093 27.308 5.713 1.00 45.42 C ATOM 45 CD ARG A 4 -14.205 28.313 4.580 1.00 61.05 C ATOM 46 NE ARG A 4 -15.510 28.979 4.569 1.00 53.31 N ATOM 47 CZ ARG A 4 -15.704 30.304 4.480 1.00 74.42 C ATOM 48 NH1 ARG A 4 -14.662 31.147 4.515 1.00 35.54 N ATOM 49 NH2 ARG A 4 -16.942 30.785 4.375 1.00 31.13 N ATOM 0 H ARG A 4 -12.812 26.956 3.190 1.00 22.23 H new ATOM 0 HA ARG A 4 -11.770 24.853 4.700 1.00 0.23 H new ATOM 0 HB2 ARG A 4 -12.663 25.995 6.633 1.00 12.05 H new ATOM 0 HB3 ARG A 4 -11.958 27.161 5.531 1.00 12.05 H new ATOM 0 HG2 ARG A 4 -14.949 26.635 5.678 1.00 45.42 H new ATOM 0 HG3 ARG A 4 -14.142 27.837 6.665 1.00 45.42 H new ATOM 0 HD2 ARG A 4 -13.417 29.060 4.678 1.00 61.05 H new ATOM 0 HD3 ARG A 4 -14.048 27.806 3.628 1.00 61.05 H new ATOM 0 HE ARG A 4 -16.338 28.388 4.634 1.00 53.31 H new ATOM 0 HH11 ARG A 4 -13.714 30.782 4.610 1.00 35.54 H new ATOM 0 HH12 ARG A 4 -14.817 32.153 4.447 1.00 35.54 H new ATOM 0 HH21 ARG A 4 -17.738 30.147 4.363 1.00 31.13 H new ATOM 0 HH22 ARG A 4 -17.094 31.791 4.307 1.00 31.13 H new ATOM 63 N ALA A 5 -13.653 23.338 5.396 1.00 32.04 N ATOM 64 CA ALA A 5 -14.666 22.342 5.559 1.00 13.41 C ATOM 65 C ALA A 5 -15.005 22.181 7.030 1.00 21.31 C ATOM 66 O ALA A 5 -14.220 21.619 7.786 1.00 1.01 O ATOM 67 CB ALA A 5 -14.210 21.024 4.956 1.00 70.32 C ATOM 0 H ALA A 5 -12.771 23.129 5.864 1.00 32.04 H new ATOM 0 HA ALA A 5 -15.567 22.660 5.034 1.00 13.41 H new ATOM 0 HB1 ALA A 5 -14.991 20.275 5.087 1.00 70.32 H new ATOM 0 HB2 ALA A 5 -14.012 21.160 3.893 1.00 70.32 H new ATOM 0 HB3 ALA A 5 -13.300 20.691 5.455 1.00 70.32 H new ATOM 73 N PRO A 6 -16.147 22.723 7.473 1.00 10.53 N ATOM 74 CA PRO A 6 -16.577 22.601 8.860 1.00 1.24 C ATOM 75 C PRO A 6 -17.046 21.173 9.173 1.00 15.22 C ATOM 76 O PRO A 6 -17.887 20.608 8.456 1.00 41.41 O ATOM 77 CB PRO A 6 -17.737 23.597 8.974 1.00 32.40 C ATOM 78 CG PRO A 6 -18.262 23.745 7.586 1.00 43.24 C ATOM 79 CD PRO A 6 -17.101 23.512 6.659 1.00 73.42 C ATOM 0 HA PRO A 6 -15.773 22.807 9.566 1.00 1.24 H new ATOM 0 HB2 PRO A 6 -18.508 23.228 9.650 1.00 32.40 H new ATOM 0 HB3 PRO A 6 -17.397 24.554 9.371 1.00 32.40 H new ATOM 0 HG2 PRO A 6 -19.060 23.027 7.395 1.00 43.24 H new ATOM 0 HG3 PRO A 6 -18.684 24.739 7.436 1.00 43.24 H new ATOM 0 HD2 PRO A 6 -17.407 22.969 5.764 1.00 73.42 H new ATOM 0 HD3 PRO A 6 -16.660 24.452 6.327 1.00 73.42 H new ATOM 87 N GLY A 7 -16.483 20.586 10.196 1.00 54.55 N ATOM 88 CA GLY A 7 -16.854 19.251 10.576 1.00 10.12 C ATOM 89 C GLY A 7 -17.745 19.251 11.791 1.00 32.14 C ATOM 90 O GLY A 7 -17.257 19.362 12.925 1.00 64.42 O ATOM 0 H GLY A 7 -15.765 21.013 10.781 1.00 54.55 H new ATOM 0 HA2 GLY A 7 -17.368 18.765 9.747 1.00 10.12 H new ATOM 0 HA3 GLY A 7 -15.957 18.667 10.781 1.00 10.12 H new ATOM 94 N SER A 8 -19.043 19.167 11.565 1.00 13.21 N ATOM 95 CA SER A 8 -20.013 19.132 12.644 1.00 63.11 C ATOM 96 C SER A 8 -19.883 17.820 13.419 1.00 15.41 C ATOM 97 O SER A 8 -20.008 17.777 14.640 1.00 73.44 O ATOM 98 CB SER A 8 -21.411 19.268 12.058 1.00 43.41 C ATOM 99 OG SER A 8 -21.485 20.401 11.199 1.00 61.22 O ATOM 0 H SER A 8 -19.453 19.121 10.632 1.00 13.21 H new ATOM 0 HA SER A 8 -19.830 19.957 13.333 1.00 63.11 H new ATOM 0 HB2 SER A 8 -21.668 18.366 11.502 1.00 43.41 H new ATOM 0 HB3 SER A 8 -22.141 19.366 12.862 1.00 43.41 H new ATOM 0 HG SER A 8 -22.390 20.473 10.829 1.00 61.22 H new ATOM 105 N THR A 9 -19.616 16.784 12.695 1.00 14.44 N ATOM 106 CA THR A 9 -19.424 15.472 13.223 1.00 52.34 C ATOM 107 C THR A 9 -18.175 14.894 12.559 1.00 2.01 C ATOM 108 O THR A 9 -17.939 15.138 11.368 1.00 4.13 O ATOM 109 CB THR A 9 -20.667 14.613 12.912 1.00 35.41 C ATOM 110 OG1 THR A 9 -21.829 15.291 13.428 1.00 14.22 O ATOM 111 CG2 THR A 9 -20.573 13.234 13.551 1.00 53.41 C ATOM 0 H THR A 9 -19.522 16.829 11.680 1.00 14.44 H new ATOM 0 HA THR A 9 -19.292 15.489 14.305 1.00 52.34 H new ATOM 0 HB THR A 9 -20.734 14.479 11.832 1.00 35.41 H new ATOM 0 HG1 THR A 9 -22.630 14.759 13.237 1.00 14.22 H new ATOM 0 HG21 THR A 9 -21.467 12.659 13.309 1.00 53.41 H new ATOM 0 HG22 THR A 9 -19.694 12.715 13.169 1.00 53.41 H new ATOM 0 HG23 THR A 9 -20.491 13.339 14.633 1.00 53.41 H new ATOM 119 N LEU A 10 -17.375 14.183 13.313 1.00 15.44 N ATOM 120 CA LEU A 10 -16.122 13.664 12.808 1.00 63.13 C ATOM 121 C LEU A 10 -16.340 12.422 11.970 1.00 1.33 C ATOM 122 O LEU A 10 -17.339 11.713 12.126 1.00 60.43 O ATOM 123 CB LEU A 10 -15.156 13.369 13.956 1.00 13.51 C ATOM 124 CG LEU A 10 -14.800 14.557 14.856 1.00 5.11 C ATOM 125 CD1 LEU A 10 -13.809 14.134 15.927 1.00 15.32 C ATOM 126 CD2 LEU A 10 -14.243 15.716 14.037 1.00 42.35 C ATOM 0 H LEU A 10 -17.568 13.947 14.286 1.00 15.44 H new ATOM 0 HA LEU A 10 -15.680 14.429 12.170 1.00 63.13 H new ATOM 0 HB2 LEU A 10 -15.590 12.585 14.577 1.00 13.51 H new ATOM 0 HB3 LEU A 10 -14.234 12.968 13.535 1.00 13.51 H new ATOM 0 HG LEU A 10 -15.713 14.898 15.344 1.00 5.11 H new ATOM 0 HD11 LEU A 10 -13.567 14.990 16.557 1.00 15.32 H new ATOM 0 HD12 LEU A 10 -14.248 13.346 16.538 1.00 15.32 H new ATOM 0 HD13 LEU A 10 -12.900 13.762 15.455 1.00 15.32 H new ATOM 0 HD21 LEU A 10 -13.999 16.546 14.700 1.00 42.35 H new ATOM 0 HD22 LEU A 10 -13.343 15.392 13.514 1.00 42.35 H new ATOM 0 HD23 LEU A 10 -14.988 16.040 13.311 1.00 42.35 H new ATOM 138 N ALA A 11 -15.430 12.176 11.078 1.00 53.20 N ATOM 139 CA ALA A 11 -15.494 11.025 10.225 1.00 12.35 C ATOM 140 C ALA A 11 -14.286 10.159 10.480 1.00 33.35 C ATOM 141 O ALA A 11 -13.175 10.502 10.076 1.00 34.12 O ATOM 142 CB ALA A 11 -15.557 11.445 8.763 1.00 74.41 C ATOM 0 H ALA A 11 -14.617 12.770 10.919 1.00 53.20 H new ATOM 0 HA ALA A 11 -16.398 10.458 10.446 1.00 12.35 H new ATOM 0 HB1 ALA A 11 -15.605 10.558 8.131 1.00 74.41 H new ATOM 0 HB2 ALA A 11 -16.444 12.056 8.598 1.00 74.41 H new ATOM 0 HB3 ALA A 11 -14.667 12.022 8.511 1.00 74.41 H new ATOM 148 N ARG A 12 -14.483 9.060 11.170 1.00 41.23 N ATOM 149 CA ARG A 12 -13.382 8.172 11.488 1.00 14.12 C ATOM 150 C ARG A 12 -13.107 7.279 10.304 1.00 63.25 C ATOM 151 O ARG A 12 -13.755 6.250 10.118 1.00 41.34 O ATOM 152 CB ARG A 12 -13.634 7.318 12.755 1.00 61.43 C ATOM 153 CG ARG A 12 -13.722 8.076 14.094 1.00 24.12 C ATOM 154 CD ARG A 12 -14.938 8.998 14.188 1.00 33.41 C ATOM 155 NE ARG A 12 -16.209 8.281 13.937 1.00 53.10 N ATOM 156 CZ ARG A 12 -17.440 8.784 14.154 1.00 12.41 C ATOM 157 NH1 ARG A 12 -17.592 9.941 14.784 1.00 63.33 N ATOM 158 NH2 ARG A 12 -18.514 8.096 13.782 1.00 50.42 N ATOM 0 H ARG A 12 -15.391 8.757 11.522 1.00 41.23 H new ATOM 0 HA ARG A 12 -12.514 8.795 11.706 1.00 14.12 H new ATOM 0 HB2 ARG A 12 -14.564 6.767 12.614 1.00 61.43 H new ATOM 0 HB3 ARG A 12 -12.835 6.581 12.833 1.00 61.43 H new ATOM 0 HG2 ARG A 12 -13.758 7.355 14.910 1.00 24.12 H new ATOM 0 HG3 ARG A 12 -12.816 8.666 14.230 1.00 24.12 H new ATOM 0 HD2 ARG A 12 -14.970 9.453 15.178 1.00 33.41 H new ATOM 0 HD3 ARG A 12 -14.833 9.809 13.467 1.00 33.41 H new ATOM 0 HE ARG A 12 -16.148 7.331 13.571 1.00 53.10 H new ATOM 0 HH11 ARG A 12 -16.774 10.457 15.108 1.00 63.33 H new ATOM 0 HH12 ARG A 12 -18.527 10.315 14.945 1.00 63.33 H new ATOM 0 HH21 ARG A 12 -18.407 7.187 13.332 1.00 50.42 H new ATOM 0 HH22 ARG A 12 -19.446 8.477 13.946 1.00 50.42 H new ATOM 172 N VAL A 13 -12.222 7.714 9.466 1.00 24.22 N ATOM 173 CA VAL A 13 -11.867 6.980 8.280 1.00 64.03 C ATOM 174 C VAL A 13 -10.368 6.807 8.165 1.00 23.02 C ATOM 175 O VAL A 13 -9.613 7.780 8.076 1.00 65.12 O ATOM 176 CB VAL A 13 -12.448 7.613 6.967 1.00 42.02 C ATOM 177 CG1 VAL A 13 -13.945 7.378 6.866 1.00 14.13 C ATOM 178 CG2 VAL A 13 -12.169 9.111 6.904 1.00 40.32 C ATOM 0 H VAL A 13 -11.718 8.594 9.580 1.00 24.22 H new ATOM 0 HA VAL A 13 -12.326 5.998 8.389 1.00 64.03 H new ATOM 0 HB VAL A 13 -11.951 7.125 6.129 1.00 42.02 H new ATOM 0 HG11 VAL A 13 -14.323 7.827 5.947 1.00 14.13 H new ATOM 0 HG12 VAL A 13 -14.145 6.307 6.856 1.00 14.13 H new ATOM 0 HG13 VAL A 13 -14.443 7.832 7.723 1.00 14.13 H new ATOM 0 HG21 VAL A 13 -12.584 9.520 5.983 1.00 40.32 H new ATOM 0 HG22 VAL A 13 -12.631 9.603 7.760 1.00 40.32 H new ATOM 0 HG23 VAL A 13 -11.093 9.282 6.924 1.00 40.32 H new ATOM 188 N GLY A 14 -9.940 5.573 8.195 1.00 64.34 N ATOM 189 CA GLY A 14 -8.544 5.265 8.017 1.00 42.43 C ATOM 190 C GLY A 14 -8.288 4.891 6.585 1.00 31.05 C ATOM 191 O GLY A 14 -7.185 4.512 6.209 1.00 34.51 O ATOM 0 H GLY A 14 -10.540 4.761 8.342 1.00 64.34 H new ATOM 0 HA2 GLY A 14 -7.934 6.125 8.293 1.00 42.43 H new ATOM 0 HA3 GLY A 14 -8.256 4.445 8.675 1.00 42.43 H new ATOM 195 N SER A 15 -9.324 5.000 5.799 1.00 5.12 N ATOM 196 CA SER A 15 -9.292 4.695 4.422 1.00 25.11 C ATOM 197 C SER A 15 -8.833 5.859 3.583 1.00 63.41 C ATOM 198 O SER A 15 -9.530 6.883 3.451 1.00 2.04 O ATOM 199 CB SER A 15 -10.670 4.257 4.000 1.00 72.12 C ATOM 200 OG SER A 15 -11.654 4.911 4.815 1.00 43.41 O ATOM 0 H SER A 15 -10.238 5.315 6.125 1.00 5.12 H new ATOM 0 HA SER A 15 -8.568 3.896 4.263 1.00 25.11 H new ATOM 0 HB2 SER A 15 -10.834 4.499 2.950 1.00 72.12 H new ATOM 0 HB3 SER A 15 -10.764 3.175 4.096 1.00 72.12 H new ATOM 0 HG SER A 15 -12.521 4.891 4.360 1.00 43.41 H new ATOM 206 N ILE A 16 -7.654 5.738 3.081 1.00 63.05 N ATOM 207 CA ILE A 16 -7.189 6.639 2.091 1.00 24.42 C ATOM 208 C ILE A 16 -7.718 6.056 0.790 1.00 50.34 C ATOM 209 O ILE A 16 -7.603 4.843 0.594 1.00 73.45 O ATOM 210 CB ILE A 16 -5.608 6.742 2.032 1.00 30.25 C ATOM 211 CG1 ILE A 16 -4.985 7.312 3.339 1.00 2.42 C ATOM 212 CG2 ILE A 16 -5.157 7.587 0.847 1.00 1.01 C ATOM 213 CD1 ILE A 16 -5.009 6.384 4.541 1.00 52.12 C ATOM 0 H ILE A 16 -6.988 5.013 3.346 1.00 63.05 H new ATOM 0 HA ILE A 16 -7.530 7.653 2.297 1.00 24.42 H new ATOM 0 HB ILE A 16 -5.249 5.720 1.913 1.00 30.25 H new ATOM 0 HG12 ILE A 16 -3.950 7.587 3.136 1.00 2.42 H new ATOM 0 HG13 ILE A 16 -5.513 8.229 3.601 1.00 2.42 H new ATOM 0 HG21 ILE A 16 -4.068 7.640 0.832 1.00 1.01 H new ATOM 0 HG22 ILE A 16 -5.511 7.134 -0.079 1.00 1.01 H new ATOM 0 HG23 ILE A 16 -5.568 8.592 0.939 1.00 1.01 H new ATOM 0 HD11 ILE A 16 -4.550 6.883 5.395 1.00 52.12 H new ATOM 0 HD12 ILE A 16 -6.041 6.127 4.782 1.00 52.12 H new ATOM 0 HD13 ILE A 16 -4.454 5.475 4.310 1.00 52.12 H new ATOM 225 N PRO A 17 -8.394 6.855 -0.062 1.00 53.42 N ATOM 226 CA PRO A 17 -8.915 6.361 -1.341 1.00 40.20 C ATOM 227 C PRO A 17 -7.798 5.762 -2.190 1.00 2.24 C ATOM 228 O PRO A 17 -6.635 6.104 -2.006 1.00 22.05 O ATOM 229 CB PRO A 17 -9.497 7.614 -2.018 1.00 25.11 C ATOM 230 CG PRO A 17 -8.959 8.770 -1.241 1.00 31.12 C ATOM 231 CD PRO A 17 -8.713 8.269 0.149 1.00 45.23 C ATOM 0 HA PRO A 17 -9.654 5.570 -1.211 1.00 40.20 H new ATOM 0 HB2 PRO A 17 -9.197 7.670 -3.064 1.00 25.11 H new ATOM 0 HB3 PRO A 17 -10.587 7.601 -1.999 1.00 25.11 H new ATOM 0 HG2 PRO A 17 -8.037 9.143 -1.688 1.00 31.12 H new ATOM 0 HG3 PRO A 17 -9.668 9.598 -1.235 1.00 31.12 H new ATOM 0 HD2 PRO A 17 -7.892 8.801 0.630 1.00 45.23 H new ATOM 0 HD3 PRO A 17 -9.590 8.395 0.784 1.00 45.23 H new ATOM 239 N ALA A 18 -8.140 4.916 -3.122 1.00 64.21 N ATOM 240 CA ALA A 18 -7.124 4.252 -3.906 1.00 53.15 C ATOM 241 C ALA A 18 -6.668 5.160 -5.027 1.00 74.42 C ATOM 242 O ALA A 18 -7.483 5.635 -5.826 1.00 52.40 O ATOM 243 CB ALA A 18 -7.677 2.952 -4.461 1.00 61.45 C ATOM 0 H ALA A 18 -9.101 4.669 -3.359 1.00 64.21 H new ATOM 0 HA ALA A 18 -6.266 4.024 -3.274 1.00 53.15 H new ATOM 0 HB1 ALA A 18 -6.909 2.453 -5.052 1.00 61.45 H new ATOM 0 HB2 ALA A 18 -7.980 2.305 -3.638 1.00 61.45 H new ATOM 0 HB3 ALA A 18 -8.540 3.164 -5.092 1.00 61.45 H new ATOM 249 N GLY A 19 -5.380 5.409 -5.077 1.00 53.14 N ATOM 250 CA GLY A 19 -4.824 6.309 -6.035 1.00 14.54 C ATOM 251 C GLY A 19 -4.298 5.626 -7.266 1.00 22.15 C ATOM 252 O GLY A 19 -5.075 5.078 -8.062 1.00 64.12 O ATOM 0 H GLY A 19 -4.695 4.988 -4.449 1.00 53.14 H new ATOM 0 HA2 GLY A 19 -5.586 7.031 -6.328 1.00 14.54 H new ATOM 0 HA3 GLY A 19 -4.015 6.871 -5.567 1.00 14.54 H new ATOM 256 N ASP A 20 -2.993 5.617 -7.421 1.00 24.53 N ATOM 257 CA ASP A 20 -2.373 5.126 -8.646 1.00 30.42 C ATOM 258 C ASP A 20 -1.287 4.107 -8.321 1.00 5.12 C ATOM 259 O ASP A 20 -0.360 4.398 -7.575 1.00 51.01 O ATOM 260 CB ASP A 20 -1.790 6.315 -9.418 1.00 72.23 C ATOM 261 CG ASP A 20 -1.297 5.973 -10.801 1.00 24.15 C ATOM 262 OD1 ASP A 20 -0.114 5.627 -10.965 1.00 70.15 O ATOM 263 OD2 ASP A 20 -2.073 6.090 -11.761 1.00 72.20 O ATOM 0 H ASP A 20 -2.333 5.944 -6.716 1.00 24.53 H new ATOM 0 HA ASP A 20 -3.122 4.628 -9.262 1.00 30.42 H new ATOM 0 HB2 ASP A 20 -2.552 7.091 -9.498 1.00 72.23 H new ATOM 0 HB3 ASP A 20 -0.965 6.737 -8.844 1.00 72.23 H new ATOM 268 N ASP A 21 -1.419 2.927 -8.891 1.00 63.54 N ATOM 269 CA ASP A 21 -0.516 1.780 -8.616 1.00 3.05 C ATOM 270 C ASP A 21 0.949 2.039 -9.000 1.00 44.32 C ATOM 271 O ASP A 21 1.257 2.474 -10.121 1.00 51.01 O ATOM 272 CB ASP A 21 -1.043 0.511 -9.281 1.00 22.53 C ATOM 273 CG ASP A 21 -0.134 -0.691 -9.102 1.00 31.43 C ATOM 274 OD1 ASP A 21 0.491 -0.839 -8.032 1.00 33.02 O ATOM 275 OD2 ASP A 21 -0.068 -1.517 -10.039 1.00 71.30 O ATOM 0 H ASP A 21 -2.154 2.715 -9.565 1.00 63.54 H new ATOM 0 HA ASP A 21 -0.516 1.644 -7.535 1.00 3.05 H new ATOM 0 HB2 ASP A 21 -2.026 0.277 -8.871 1.00 22.53 H new ATOM 0 HB3 ASP A 21 -1.178 0.698 -10.346 1.00 22.53 H new ATOM 280 N VAL A 22 1.838 1.740 -8.074 1.00 45.23 N ATOM 281 CA VAL A 22 3.262 2.002 -8.225 1.00 12.20 C ATOM 282 C VAL A 22 4.036 0.766 -8.736 1.00 53.22 C ATOM 283 O VAL A 22 5.094 0.908 -9.371 1.00 52.43 O ATOM 284 CB VAL A 22 3.883 2.545 -6.886 1.00 53.35 C ATOM 285 CG1 VAL A 22 5.392 2.761 -6.986 1.00 60.40 C ATOM 286 CG2 VAL A 22 3.213 3.852 -6.498 1.00 53.54 C ATOM 0 H VAL A 22 1.593 1.304 -7.185 1.00 45.23 H new ATOM 0 HA VAL A 22 3.363 2.776 -8.986 1.00 12.20 H new ATOM 0 HB VAL A 22 3.708 1.787 -6.122 1.00 53.35 H new ATOM 0 HG11 VAL A 22 5.770 3.136 -6.035 1.00 60.40 H new ATOM 0 HG12 VAL A 22 5.880 1.815 -7.223 1.00 60.40 H new ATOM 0 HG13 VAL A 22 5.605 3.486 -7.772 1.00 60.40 H new ATOM 0 HG21 VAL A 22 3.648 4.222 -5.570 1.00 53.54 H new ATOM 0 HG22 VAL A 22 3.364 4.587 -7.288 1.00 53.54 H new ATOM 0 HG23 VAL A 22 2.145 3.686 -6.357 1.00 53.54 H new ATOM 296 N LEU A 23 3.511 -0.428 -8.530 1.00 54.13 N ATOM 297 CA LEU A 23 4.244 -1.608 -8.966 1.00 5.43 C ATOM 298 C LEU A 23 3.899 -2.004 -10.406 1.00 25.40 C ATOM 299 O LEU A 23 3.236 -1.244 -11.131 1.00 54.24 O ATOM 300 CB LEU A 23 4.168 -2.804 -7.952 1.00 64.52 C ATOM 301 CG LEU A 23 2.794 -3.290 -7.426 1.00 62.43 C ATOM 302 CD1 LEU A 23 1.872 -3.708 -8.541 1.00 35.14 C ATOM 303 CD2 LEU A 23 2.994 -4.468 -6.497 1.00 24.31 C ATOM 0 H LEU A 23 2.613 -0.607 -8.081 1.00 54.13 H new ATOM 0 HA LEU A 23 5.296 -1.324 -8.974 1.00 5.43 H new ATOM 0 HB2 LEU A 23 4.655 -3.658 -8.422 1.00 64.52 H new ATOM 0 HB3 LEU A 23 4.769 -2.532 -7.084 1.00 64.52 H new ATOM 0 HG LEU A 23 2.335 -2.453 -6.900 1.00 62.43 H new ATOM 0 HD11 LEU A 23 0.922 -4.041 -8.122 1.00 35.14 H new ATOM 0 HD12 LEU A 23 1.699 -2.862 -9.206 1.00 35.14 H new ATOM 0 HD13 LEU A 23 2.327 -4.524 -9.102 1.00 35.14 H new ATOM 0 HD21 LEU A 23 2.027 -4.809 -6.128 1.00 24.31 H new ATOM 0 HD22 LEU A 23 3.482 -5.279 -7.038 1.00 24.31 H new ATOM 0 HD23 LEU A 23 3.618 -4.166 -5.656 1.00 24.31 H new ATOM 315 N ASP A 24 4.394 -3.146 -10.837 1.00 41.01 N ATOM 316 CA ASP A 24 4.126 -3.633 -12.179 1.00 41.41 C ATOM 317 C ASP A 24 2.888 -4.481 -12.161 1.00 43.14 C ATOM 318 O ASP A 24 2.733 -5.310 -11.269 1.00 32.50 O ATOM 319 CB ASP A 24 5.275 -4.495 -12.729 1.00 74.31 C ATOM 320 CG ASP A 24 6.585 -3.780 -12.804 1.00 25.14 C ATOM 321 OD1 ASP A 24 6.674 -2.731 -13.463 1.00 72.24 O ATOM 322 OD2 ASP A 24 7.574 -4.262 -12.205 1.00 11.14 O ATOM 0 H ASP A 24 4.987 -3.758 -10.276 1.00 41.01 H new ATOM 0 HA ASP A 24 4.008 -2.759 -12.819 1.00 41.41 H new ATOM 0 HB2 ASP A 24 5.389 -5.377 -12.098 1.00 74.31 H new ATOM 0 HB3 ASP A 24 5.007 -4.848 -13.725 1.00 74.31 H new ATOM 327 N PRO A 25 1.992 -4.323 -13.154 1.00 10.11 N ATOM 328 CA PRO A 25 0.776 -5.148 -13.263 1.00 50.41 C ATOM 329 C PRO A 25 1.106 -6.637 -13.416 1.00 63.01 C ATOM 330 O PRO A 25 0.289 -7.496 -13.114 1.00 64.53 O ATOM 331 CB PRO A 25 0.095 -4.631 -14.538 1.00 33.13 C ATOM 332 CG PRO A 25 0.653 -3.269 -14.745 1.00 55.02 C ATOM 333 CD PRO A 25 2.057 -3.308 -14.222 1.00 33.53 C ATOM 0 HA PRO A 25 0.154 -5.070 -12.371 1.00 50.41 H new ATOM 0 HB2 PRO A 25 0.307 -5.278 -15.389 1.00 33.13 H new ATOM 0 HB3 PRO A 25 -0.988 -4.601 -14.423 1.00 33.13 H new ATOM 0 HG2 PRO A 25 0.638 -2.999 -15.801 1.00 55.02 H new ATOM 0 HG3 PRO A 25 0.061 -2.522 -14.216 1.00 55.02 H new ATOM 0 HD2 PRO A 25 2.768 -3.587 -14.999 1.00 33.53 H new ATOM 0 HD3 PRO A 25 2.370 -2.338 -13.837 1.00 33.53 H new ATOM 341 N ASP A 26 2.322 -6.918 -13.874 1.00 3.41 N ATOM 342 CA ASP A 26 2.798 -8.287 -14.073 1.00 2.20 C ATOM 343 C ASP A 26 2.985 -9.005 -12.755 1.00 14.34 C ATOM 344 O ASP A 26 2.924 -10.233 -12.701 1.00 12.14 O ATOM 345 CB ASP A 26 4.106 -8.318 -14.862 1.00 34.51 C ATOM 346 CG ASP A 26 3.966 -7.753 -16.242 1.00 51.04 C ATOM 347 OD1 ASP A 26 3.432 -8.446 -17.142 1.00 70.10 O ATOM 348 OD2 ASP A 26 4.371 -6.600 -16.464 1.00 44.14 O ATOM 0 H ASP A 26 3.008 -6.204 -14.119 1.00 3.41 H new ATOM 0 HA ASP A 26 2.030 -8.804 -14.649 1.00 2.20 H new ATOM 0 HB2 ASP A 26 4.865 -7.755 -14.319 1.00 34.51 H new ATOM 0 HB3 ASP A 26 4.460 -9.347 -14.930 1.00 34.51 H new ATOM 353 N GLU A 27 3.211 -8.244 -11.697 1.00 74.01 N ATOM 354 CA GLU A 27 3.344 -8.802 -10.370 1.00 13.34 C ATOM 355 C GLU A 27 1.963 -9.216 -9.899 1.00 60.32 C ATOM 356 O GLU A 27 1.075 -8.366 -9.814 1.00 44.14 O ATOM 357 CB GLU A 27 3.938 -7.755 -9.408 1.00 43.23 C ATOM 358 CG GLU A 27 5.378 -7.360 -9.720 1.00 51.22 C ATOM 359 CD GLU A 27 6.374 -8.463 -9.416 1.00 32.43 C ATOM 360 OE1 GLU A 27 6.240 -9.585 -9.968 1.00 20.33 O ATOM 361 OE2 GLU A 27 7.323 -8.222 -8.627 1.00 13.34 O ATOM 0 H GLU A 27 3.306 -7.229 -11.737 1.00 74.01 H new ATOM 0 HA GLU A 27 4.014 -9.662 -10.388 1.00 13.34 H new ATOM 0 HB2 GLU A 27 3.315 -6.861 -9.433 1.00 43.23 H new ATOM 0 HB3 GLU A 27 3.893 -8.146 -8.392 1.00 43.23 H new ATOM 0 HG2 GLU A 27 5.455 -7.089 -10.773 1.00 51.22 H new ATOM 0 HG3 GLU A 27 5.639 -6.473 -9.143 1.00 51.22 H new ATOM 368 N PRO A 28 1.735 -10.524 -9.644 1.00 62.42 N ATOM 369 CA PRO A 28 0.436 -11.031 -9.196 1.00 2.10 C ATOM 370 C PRO A 28 0.012 -10.421 -7.865 1.00 3.42 C ATOM 371 O PRO A 28 0.508 -10.787 -6.786 1.00 3.30 O ATOM 372 CB PRO A 28 0.648 -12.543 -9.071 1.00 2.14 C ATOM 373 CG PRO A 28 1.815 -12.813 -9.947 1.00 23.24 C ATOM 374 CD PRO A 28 2.705 -11.619 -9.792 1.00 51.02 C ATOM 0 HA PRO A 28 -0.364 -10.773 -9.891 1.00 2.10 H new ATOM 0 HB2 PRO A 28 0.847 -12.835 -8.040 1.00 2.14 H new ATOM 0 HB3 PRO A 28 -0.232 -13.098 -9.395 1.00 2.14 H new ATOM 0 HG2 PRO A 28 2.328 -13.728 -9.650 1.00 23.24 H new ATOM 0 HG3 PRO A 28 1.507 -12.943 -10.985 1.00 23.24 H new ATOM 0 HD2 PRO A 28 3.356 -11.707 -8.922 1.00 51.02 H new ATOM 0 HD3 PRO A 28 3.350 -11.477 -10.659 1.00 51.02 H new ATOM 382 N THR A 29 -0.838 -9.453 -7.954 1.00 1.02 N ATOM 383 CA THR A 29 -1.327 -8.771 -6.823 1.00 3.40 C ATOM 384 C THR A 29 -2.679 -9.325 -6.459 1.00 31.03 C ATOM 385 O THR A 29 -3.057 -10.421 -6.871 1.00 44.51 O ATOM 386 CB THR A 29 -1.454 -7.262 -7.138 1.00 43.44 C ATOM 387 OG1 THR A 29 -2.257 -7.075 -8.310 1.00 53.54 O ATOM 388 CG2 THR A 29 -0.093 -6.638 -7.364 1.00 24.43 C ATOM 0 H THR A 29 -1.215 -9.113 -8.839 1.00 1.02 H new ATOM 0 HA THR A 29 -0.638 -8.905 -5.990 1.00 3.40 H new ATOM 0 HB THR A 29 -1.925 -6.777 -6.283 1.00 43.44 H new ATOM 0 HG1 THR A 29 -3.168 -6.830 -8.046 1.00 53.54 H new ATOM 0 HG21 THR A 29 -0.211 -5.577 -7.584 1.00 24.43 H new ATOM 0 HG22 THR A 29 0.515 -6.758 -6.468 1.00 24.43 H new ATOM 0 HG23 THR A 29 0.398 -7.130 -8.204 1.00 24.43 H new ATOM 396 N TYR A 30 -3.386 -8.590 -5.700 1.00 4.35 N ATOM 397 CA TYR A 30 -4.695 -8.917 -5.361 1.00 43.45 C ATOM 398 C TYR A 30 -5.592 -7.965 -6.056 1.00 25.32 C ATOM 399 O TYR A 30 -5.159 -6.881 -6.443 1.00 21.30 O ATOM 400 CB TYR A 30 -4.900 -8.898 -3.857 1.00 12.33 C ATOM 401 CG TYR A 30 -4.280 -10.090 -3.201 1.00 55.14 C ATOM 402 CD1 TYR A 30 -4.922 -11.304 -3.251 1.00 12.21 C ATOM 403 CD2 TYR A 30 -3.056 -10.017 -2.563 1.00 64.10 C ATOM 404 CE1 TYR A 30 -4.378 -12.422 -2.695 1.00 63.25 C ATOM 405 CE2 TYR A 30 -2.496 -11.139 -1.989 1.00 64.41 C ATOM 406 CZ TYR A 30 -3.166 -12.342 -2.059 1.00 43.24 C ATOM 407 OH TYR A 30 -2.618 -13.473 -1.511 1.00 34.10 O ATOM 0 H TYR A 30 -3.054 -7.718 -5.288 1.00 4.35 H new ATOM 0 HA TYR A 30 -4.924 -9.934 -5.679 1.00 43.45 H new ATOM 0 HB2 TYR A 30 -4.467 -7.988 -3.442 1.00 12.33 H new ATOM 0 HB3 TYR A 30 -5.967 -8.874 -3.635 1.00 12.33 H new ATOM 0 HD1 TYR A 30 -5.881 -11.373 -3.743 1.00 12.21 H new ATOM 0 HD2 TYR A 30 -2.534 -9.073 -2.514 1.00 64.10 H new ATOM 0 HE1 TYR A 30 -4.898 -13.366 -2.755 1.00 63.25 H new ATOM 0 HE2 TYR A 30 -1.541 -11.076 -1.489 1.00 64.41 H new ATOM 0 HH TYR A 30 -1.661 -13.507 -1.720 1.00 34.10 H new ATOM 417 N ASP A 31 -6.794 -8.350 -6.194 1.00 42.04 N ATOM 418 CA ASP A 31 -7.811 -7.613 -6.896 1.00 54.13 C ATOM 419 C ASP A 31 -8.986 -7.695 -5.994 1.00 25.11 C ATOM 420 O ASP A 31 -9.001 -8.583 -5.132 1.00 73.34 O ATOM 421 CB ASP A 31 -8.170 -8.293 -8.249 1.00 24.31 C ATOM 422 CG ASP A 31 -7.055 -8.306 -9.292 1.00 63.54 C ATOM 423 OD1 ASP A 31 -6.155 -9.184 -9.230 1.00 41.43 O ATOM 424 OD2 ASP A 31 -7.089 -7.476 -10.235 1.00 20.32 O ATOM 0 H ASP A 31 -7.134 -9.231 -5.808 1.00 42.04 H new ATOM 0 HA ASP A 31 -7.491 -6.596 -7.125 1.00 54.13 H new ATOM 0 HB2 ASP A 31 -8.471 -9.322 -8.051 1.00 24.31 H new ATOM 0 HB3 ASP A 31 -9.035 -7.784 -8.673 1.00 24.31 H new ATOM 429 N LEU A 32 -9.950 -6.822 -6.164 1.00 14.11 N ATOM 430 CA LEU A 32 -11.078 -6.702 -5.268 1.00 25.24 C ATOM 431 C LEU A 32 -11.768 -8.070 -4.935 1.00 11.45 C ATOM 432 O LEU A 32 -11.861 -8.429 -3.748 1.00 32.05 O ATOM 433 CB LEU A 32 -12.058 -5.655 -5.809 1.00 13.25 C ATOM 434 CG LEU A 32 -13.225 -5.315 -4.918 1.00 3.54 C ATOM 435 CD1 LEU A 32 -12.746 -4.664 -3.618 1.00 5.31 C ATOM 436 CD2 LEU A 32 -14.221 -4.428 -5.646 1.00 63.23 C ATOM 0 H LEU A 32 -9.974 -6.163 -6.942 1.00 14.11 H new ATOM 0 HA LEU A 32 -10.699 -6.357 -4.306 1.00 25.24 H new ATOM 0 HB2 LEU A 32 -11.503 -4.739 -6.012 1.00 13.25 H new ATOM 0 HB3 LEU A 32 -12.447 -6.010 -6.763 1.00 13.25 H new ATOM 0 HG LEU A 32 -13.736 -6.242 -4.656 1.00 3.54 H new ATOM 0 HD11 LEU A 32 -13.606 -4.428 -2.991 1.00 5.31 H new ATOM 0 HD12 LEU A 32 -12.088 -5.352 -3.087 1.00 5.31 H new ATOM 0 HD13 LEU A 32 -12.202 -3.748 -3.849 1.00 5.31 H new ATOM 0 HD21 LEU A 32 -15.054 -4.196 -4.983 1.00 63.23 H new ATOM 0 HD22 LEU A 32 -13.731 -3.503 -5.950 1.00 63.23 H new ATOM 0 HD23 LEU A 32 -14.594 -4.948 -6.529 1.00 63.23 H new ATOM 448 N PRO A 33 -12.215 -8.887 -5.945 1.00 44.43 N ATOM 449 CA PRO A 33 -12.826 -10.197 -5.661 1.00 43.13 C ATOM 450 C PRO A 33 -11.819 -11.175 -5.028 1.00 42.40 C ATOM 451 O PRO A 33 -12.163 -11.972 -4.163 1.00 24.11 O ATOM 452 CB PRO A 33 -13.266 -10.702 -7.043 1.00 11.24 C ATOM 453 CG PRO A 33 -12.407 -9.962 -8.011 1.00 54.14 C ATOM 454 CD PRO A 33 -12.196 -8.608 -7.407 1.00 11.23 C ATOM 0 HA PRO A 33 -13.646 -10.119 -4.947 1.00 43.13 H new ATOM 0 HB2 PRO A 33 -13.126 -11.779 -7.133 1.00 11.24 H new ATOM 0 HB3 PRO A 33 -14.323 -10.502 -7.219 1.00 11.24 H new ATOM 0 HG2 PRO A 33 -11.458 -10.475 -8.165 1.00 54.14 H new ATOM 0 HG3 PRO A 33 -12.890 -9.886 -8.985 1.00 54.14 H new ATOM 0 HD2 PRO A 33 -11.249 -8.169 -7.722 1.00 11.23 H new ATOM 0 HD3 PRO A 33 -12.983 -7.911 -7.695 1.00 11.23 H new ATOM 462 N ARG A 34 -10.560 -11.071 -5.434 1.00 23.13 N ATOM 463 CA ARG A 34 -9.515 -11.930 -4.941 1.00 24.12 C ATOM 464 C ARG A 34 -9.243 -11.666 -3.450 1.00 30.15 C ATOM 465 O ARG A 34 -8.933 -12.586 -2.701 1.00 0.22 O ATOM 466 CB ARG A 34 -8.243 -11.711 -5.748 1.00 31.14 C ATOM 467 CG ARG A 34 -7.193 -12.777 -5.559 1.00 42.40 C ATOM 468 CD ARG A 34 -7.704 -14.093 -6.077 1.00 64.14 C ATOM 469 NE ARG A 34 -6.688 -15.138 -6.033 1.00 20.50 N ATOM 470 CZ ARG A 34 -6.818 -16.356 -6.556 1.00 54.42 C ATOM 471 NH1 ARG A 34 -7.912 -16.687 -7.232 1.00 20.54 N ATOM 472 NH2 ARG A 34 -5.848 -17.238 -6.403 1.00 62.32 N ATOM 0 H ARG A 34 -10.244 -10.383 -6.117 1.00 23.13 H new ATOM 0 HA ARG A 34 -9.840 -12.965 -5.051 1.00 24.12 H new ATOM 0 HB2 ARG A 34 -8.503 -11.658 -6.805 1.00 31.14 H new ATOM 0 HB3 ARG A 34 -7.816 -10.746 -5.476 1.00 31.14 H new ATOM 0 HG2 ARG A 34 -6.280 -12.498 -6.085 1.00 42.40 H new ATOM 0 HG3 ARG A 34 -6.938 -12.866 -4.503 1.00 42.40 H new ATOM 0 HD2 ARG A 34 -8.566 -14.403 -5.487 1.00 64.14 H new ATOM 0 HD3 ARG A 34 -8.049 -13.968 -7.103 1.00 64.14 H new ATOM 0 HE ARG A 34 -5.809 -14.919 -5.565 1.00 20.50 H new ATOM 0 HH11 ARG A 34 -8.662 -16.006 -7.354 1.00 20.54 H new ATOM 0 HH12 ARG A 34 -8.003 -17.622 -7.629 1.00 20.54 H new ATOM 0 HH21 ARG A 34 -5.005 -16.985 -5.887 1.00 62.32 H new ATOM 0 HH22 ARG A 34 -5.941 -18.173 -6.801 1.00 62.32 H new ATOM 486 N VAL A 35 -9.362 -10.412 -3.030 1.00 64.43 N ATOM 487 CA VAL A 35 -9.164 -10.062 -1.628 1.00 12.14 C ATOM 488 C VAL A 35 -10.306 -10.630 -0.807 1.00 52.15 C ATOM 489 O VAL A 35 -10.094 -11.189 0.280 1.00 1.14 O ATOM 490 CB VAL A 35 -9.053 -8.528 -1.397 1.00 55.51 C ATOM 491 CG1 VAL A 35 -8.800 -8.211 0.073 1.00 73.40 C ATOM 492 CG2 VAL A 35 -7.955 -7.934 -2.246 1.00 22.45 C ATOM 0 H VAL A 35 -9.593 -9.625 -3.636 1.00 64.43 H new ATOM 0 HA VAL A 35 -8.214 -10.494 -1.313 1.00 12.14 H new ATOM 0 HB VAL A 35 -10.004 -8.083 -1.690 1.00 55.51 H new ATOM 0 HG11 VAL A 35 -8.727 -7.132 0.205 1.00 73.40 H new ATOM 0 HG12 VAL A 35 -9.623 -8.595 0.675 1.00 73.40 H new ATOM 0 HG13 VAL A 35 -7.869 -8.679 0.391 1.00 73.40 H new ATOM 0 HG21 VAL A 35 -7.897 -6.860 -2.067 1.00 22.45 H new ATOM 0 HG22 VAL A 35 -7.003 -8.397 -1.986 1.00 22.45 H new ATOM 0 HG23 VAL A 35 -8.171 -8.115 -3.299 1.00 22.45 H new ATOM 502 N ALA A 36 -11.502 -10.529 -1.361 1.00 61.41 N ATOM 503 CA ALA A 36 -12.691 -11.082 -0.742 1.00 43.11 C ATOM 504 C ALA A 36 -12.537 -12.597 -0.604 1.00 21.11 C ATOM 505 O ALA A 36 -12.975 -13.212 0.375 1.00 3.11 O ATOM 506 CB ALA A 36 -13.919 -10.739 -1.580 1.00 1.12 C ATOM 0 H ALA A 36 -11.675 -10.062 -2.251 1.00 61.41 H new ATOM 0 HA ALA A 36 -12.821 -10.651 0.251 1.00 43.11 H new ATOM 0 HB1 ALA A 36 -14.809 -11.157 -1.110 1.00 1.12 H new ATOM 0 HB2 ALA A 36 -14.021 -9.656 -1.650 1.00 1.12 H new ATOM 0 HB3 ALA A 36 -13.806 -11.158 -2.580 1.00 1.12 H new ATOM 512 N GLU A 37 -11.894 -13.188 -1.587 1.00 30.44 N ATOM 513 CA GLU A 37 -11.635 -14.600 -1.597 1.00 43.32 C ATOM 514 C GLU A 37 -10.618 -14.975 -0.518 1.00 40.11 C ATOM 515 O GLU A 37 -10.828 -15.922 0.240 1.00 24.23 O ATOM 516 CB GLU A 37 -11.114 -15.013 -2.960 1.00 14.13 C ATOM 517 CG GLU A 37 -11.349 -16.479 -3.266 1.00 44.34 C ATOM 518 CD GLU A 37 -12.822 -16.827 -3.223 1.00 74.21 C ATOM 519 OE1 GLU A 37 -13.348 -17.136 -2.128 1.00 13.55 O ATOM 520 OE2 GLU A 37 -13.490 -16.765 -4.276 1.00 44.40 O ATOM 0 H GLU A 37 -11.536 -12.694 -2.404 1.00 30.44 H new ATOM 0 HA GLU A 37 -12.567 -15.125 -1.387 1.00 43.32 H new ATOM 0 HB2 GLU A 37 -11.596 -14.406 -3.726 1.00 14.13 H new ATOM 0 HB3 GLU A 37 -10.046 -14.803 -3.013 1.00 14.13 H new ATOM 0 HG2 GLU A 37 -10.947 -16.715 -4.251 1.00 44.34 H new ATOM 0 HG3 GLU A 37 -10.808 -17.093 -2.546 1.00 44.34 H new ATOM 527 N LEU A 38 -9.553 -14.196 -0.430 1.00 51.34 N ATOM 528 CA LEU A 38 -8.466 -14.444 0.510 1.00 63.51 C ATOM 529 C LEU A 38 -8.926 -14.276 1.955 1.00 61.33 C ATOM 530 O LEU A 38 -8.625 -15.101 2.814 1.00 12.53 O ATOM 531 CB LEU A 38 -7.297 -13.493 0.231 1.00 41.11 C ATOM 532 CG LEU A 38 -6.077 -13.640 1.147 1.00 21.40 C ATOM 533 CD1 LEU A 38 -5.384 -14.976 0.933 1.00 22.34 C ATOM 534 CD2 LEU A 38 -5.113 -12.491 0.951 1.00 35.32 C ATOM 0 H LEU A 38 -9.415 -13.369 -1.010 1.00 51.34 H new ATOM 0 HA LEU A 38 -8.141 -15.475 0.372 1.00 63.51 H new ATOM 0 HB2 LEU A 38 -6.973 -13.640 -0.799 1.00 41.11 H new ATOM 0 HB3 LEU A 38 -7.662 -12.469 0.307 1.00 41.11 H new ATOM 0 HG LEU A 38 -6.430 -13.612 2.178 1.00 21.40 H new ATOM 0 HD11 LEU A 38 -4.523 -15.050 1.597 1.00 22.34 H new ATOM 0 HD12 LEU A 38 -6.080 -15.786 1.150 1.00 22.34 H new ATOM 0 HD13 LEU A 38 -5.051 -15.052 -0.102 1.00 22.34 H new ATOM 0 HD21 LEU A 38 -4.256 -12.618 1.612 1.00 35.32 H new ATOM 0 HD22 LEU A 38 -4.773 -12.474 -0.085 1.00 35.32 H new ATOM 0 HD23 LEU A 38 -5.614 -11.552 1.184 1.00 35.32 H new ATOM 546 N LEU A 39 -9.659 -13.217 2.213 1.00 11.32 N ATOM 547 CA LEU A 39 -10.115 -12.927 3.559 1.00 52.15 C ATOM 548 C LEU A 39 -11.356 -13.723 3.919 1.00 24.23 C ATOM 549 O LEU A 39 -11.741 -13.789 5.087 1.00 24.13 O ATOM 550 CB LEU A 39 -10.346 -11.425 3.746 1.00 51.11 C ATOM 551 CG LEU A 39 -9.115 -10.519 3.597 1.00 42.13 C ATOM 552 CD1 LEU A 39 -9.502 -9.063 3.798 1.00 1.23 C ATOM 553 CD2 LEU A 39 -8.016 -10.919 4.577 1.00 41.04 C ATOM 0 H LEU A 39 -9.954 -12.540 1.510 1.00 11.32 H new ATOM 0 HA LEU A 39 -9.326 -13.236 4.245 1.00 52.15 H new ATOM 0 HB2 LEU A 39 -11.096 -11.103 3.024 1.00 51.11 H new ATOM 0 HB3 LEU A 39 -10.769 -11.266 4.738 1.00 51.11 H new ATOM 0 HG LEU A 39 -8.725 -10.642 2.586 1.00 42.13 H new ATOM 0 HD11 LEU A 39 -8.619 -8.433 3.689 1.00 1.23 H new ATOM 0 HD12 LEU A 39 -10.245 -8.778 3.053 1.00 1.23 H new ATOM 0 HD13 LEU A 39 -9.920 -8.932 4.796 1.00 1.23 H new ATOM 0 HD21 LEU A 39 -7.157 -10.261 4.449 1.00 41.04 H new ATOM 0 HD22 LEU A 39 -8.390 -10.834 5.597 1.00 41.04 H new ATOM 0 HD23 LEU A 39 -7.715 -11.949 4.386 1.00 41.04 H new ATOM 565 N GLY A 40 -11.963 -14.334 2.914 1.00 60.14 N ATOM 566 CA GLY A 40 -13.150 -15.145 3.114 1.00 74.33 C ATOM 567 C GLY A 40 -14.336 -14.315 3.527 1.00 75.32 C ATOM 568 O GLY A 40 -15.216 -14.780 4.251 1.00 60.51 O ATOM 0 H GLY A 40 -11.649 -14.282 1.945 1.00 60.14 H new ATOM 0 HA2 GLY A 40 -13.384 -15.679 2.193 1.00 74.33 H new ATOM 0 HA3 GLY A 40 -12.951 -15.898 3.877 1.00 74.33 H new ATOM 572 N VAL A 41 -14.361 -13.090 3.067 1.00 31.54 N ATOM 573 CA VAL A 41 -15.411 -12.154 3.408 1.00 32.05 C ATOM 574 C VAL A 41 -15.908 -11.456 2.152 1.00 13.21 C ATOM 575 O VAL A 41 -15.190 -11.396 1.172 1.00 15.31 O ATOM 576 CB VAL A 41 -14.931 -11.083 4.442 1.00 21.51 C ATOM 577 CG1 VAL A 41 -14.547 -11.722 5.763 1.00 61.30 C ATOM 578 CG2 VAL A 41 -13.772 -10.256 3.896 1.00 71.22 C ATOM 0 H VAL A 41 -13.651 -12.708 2.442 1.00 31.54 H new ATOM 0 HA VAL A 41 -16.219 -12.723 3.867 1.00 32.05 H new ATOM 0 HB VAL A 41 -15.772 -10.412 4.618 1.00 21.51 H new ATOM 0 HG11 VAL A 41 -14.218 -10.950 6.459 1.00 61.30 H new ATOM 0 HG12 VAL A 41 -15.409 -12.242 6.180 1.00 61.30 H new ATOM 0 HG13 VAL A 41 -13.737 -12.433 5.601 1.00 61.30 H new ATOM 0 HG21 VAL A 41 -13.465 -9.523 4.642 1.00 71.22 H new ATOM 0 HG22 VAL A 41 -12.933 -10.913 3.666 1.00 71.22 H new ATOM 0 HG23 VAL A 41 -14.088 -9.741 2.989 1.00 71.22 H new ATOM 588 N PRO A 42 -17.152 -10.952 2.150 1.00 52.23 N ATOM 589 CA PRO A 42 -17.689 -10.209 1.008 1.00 24.30 C ATOM 590 C PRO A 42 -16.953 -8.877 0.790 1.00 24.54 C ATOM 591 O PRO A 42 -16.228 -8.392 1.686 1.00 73.10 O ATOM 592 CB PRO A 42 -19.151 -9.951 1.400 1.00 44.23 C ATOM 593 CG PRO A 42 -19.165 -10.047 2.882 1.00 41.03 C ATOM 594 CD PRO A 42 -18.148 -11.094 3.226 1.00 30.43 C ATOM 0 HA PRO A 42 -17.577 -10.760 0.074 1.00 24.30 H new ATOM 0 HB2 PRO A 42 -19.484 -8.969 1.063 1.00 44.23 H new ATOM 0 HB3 PRO A 42 -19.818 -10.686 0.949 1.00 44.23 H new ATOM 0 HG2 PRO A 42 -18.913 -9.090 3.340 1.00 41.03 H new ATOM 0 HG3 PRO A 42 -20.153 -10.325 3.248 1.00 41.03 H new ATOM 0 HD2 PRO A 42 -17.708 -10.923 4.209 1.00 30.43 H new ATOM 0 HD3 PRO A 42 -18.586 -12.092 3.242 1.00 30.43 H new ATOM 602 N VAL A 43 -17.187 -8.274 -0.372 1.00 70.34 N ATOM 603 CA VAL A 43 -16.546 -7.016 -0.785 1.00 31.51 C ATOM 604 C VAL A 43 -16.795 -5.916 0.241 1.00 35.12 C ATOM 605 O VAL A 43 -15.905 -5.118 0.545 1.00 31.24 O ATOM 606 CB VAL A 43 -17.077 -6.560 -2.172 1.00 31.30 C ATOM 607 CG1 VAL A 43 -16.427 -5.263 -2.627 1.00 34.15 C ATOM 608 CG2 VAL A 43 -16.854 -7.649 -3.199 1.00 4.42 C ATOM 0 H VAL A 43 -17.835 -8.645 -1.067 1.00 70.34 H new ATOM 0 HA VAL A 43 -15.474 -7.198 -0.854 1.00 31.51 H new ATOM 0 HB VAL A 43 -18.146 -6.373 -2.073 1.00 31.30 H new ATOM 0 HG11 VAL A 43 -16.825 -4.978 -3.601 1.00 34.15 H new ATOM 0 HG12 VAL A 43 -16.640 -4.476 -1.904 1.00 34.15 H new ATOM 0 HG13 VAL A 43 -15.349 -5.404 -2.703 1.00 34.15 H new ATOM 0 HG21 VAL A 43 -17.230 -7.319 -4.167 1.00 4.42 H new ATOM 0 HG22 VAL A 43 -15.788 -7.863 -3.277 1.00 4.42 H new ATOM 0 HG23 VAL A 43 -17.383 -8.551 -2.893 1.00 4.42 H new ATOM 618 N SER A 44 -17.985 -5.922 0.794 1.00 4.13 N ATOM 619 CA SER A 44 -18.390 -4.977 1.794 1.00 13.54 C ATOM 620 C SER A 44 -17.453 -5.015 3.020 1.00 24.21 C ATOM 621 O SER A 44 -17.067 -3.970 3.549 1.00 22.25 O ATOM 622 CB SER A 44 -19.811 -5.302 2.178 1.00 13.25 C ATOM 623 OG SER A 44 -20.620 -5.363 1.017 1.00 72.34 O ATOM 0 H SER A 44 -18.709 -6.599 0.553 1.00 4.13 H new ATOM 0 HA SER A 44 -18.330 -3.963 1.397 1.00 13.54 H new ATOM 0 HB2 SER A 44 -19.846 -6.254 2.707 1.00 13.25 H new ATOM 0 HB3 SER A 44 -20.195 -4.544 2.861 1.00 13.25 H new ATOM 0 HG SER A 44 -21.542 -5.576 1.272 1.00 72.34 H new ATOM 629 N LYS A 45 -17.055 -6.213 3.453 1.00 75.13 N ATOM 630 CA LYS A 45 -16.147 -6.293 4.573 1.00 11.33 C ATOM 631 C LYS A 45 -14.769 -5.803 4.197 1.00 20.01 C ATOM 632 O LYS A 45 -14.132 -5.137 4.965 1.00 61.33 O ATOM 633 CB LYS A 45 -16.093 -7.659 5.238 1.00 32.44 C ATOM 634 CG LYS A 45 -17.396 -8.052 5.928 1.00 44.13 C ATOM 635 CD LYS A 45 -17.220 -9.246 6.864 1.00 41.31 C ATOM 636 CE LYS A 45 -16.276 -8.912 8.025 1.00 2.13 C ATOM 637 NZ LYS A 45 -16.129 -10.031 8.967 1.00 21.44 N ATOM 0 H LYS A 45 -17.341 -7.107 3.054 1.00 75.13 H new ATOM 0 HA LYS A 45 -16.558 -5.625 5.330 1.00 11.33 H new ATOM 0 HB2 LYS A 45 -15.848 -8.410 4.487 1.00 32.44 H new ATOM 0 HB3 LYS A 45 -15.286 -7.666 5.971 1.00 32.44 H new ATOM 0 HG2 LYS A 45 -17.775 -7.202 6.495 1.00 44.13 H new ATOM 0 HG3 LYS A 45 -18.146 -8.292 5.174 1.00 44.13 H new ATOM 0 HD2 LYS A 45 -18.191 -9.548 7.258 1.00 41.31 H new ATOM 0 HD3 LYS A 45 -16.825 -10.094 6.304 1.00 41.31 H new ATOM 0 HE2 LYS A 45 -15.297 -8.644 7.628 1.00 2.13 H new ATOM 0 HE3 LYS A 45 -16.654 -8.039 8.558 1.00 2.13 H new ATOM 0 HZ1 LYS A 45 -15.482 -9.757 9.734 1.00 21.44 H new ATOM 0 HZ2 LYS A 45 -17.058 -10.272 9.368 1.00 21.44 H new ATOM 0 HZ3 LYS A 45 -15.743 -10.857 8.467 1.00 21.44 H new ATOM 651 N VAL A 46 -14.347 -6.088 2.984 1.00 63.25 N ATOM 652 CA VAL A 46 -13.048 -5.609 2.492 1.00 20.20 C ATOM 653 C VAL A 46 -13.038 -4.079 2.484 1.00 72.03 C ATOM 654 O VAL A 46 -12.047 -3.444 2.878 1.00 3.24 O ATOM 655 CB VAL A 46 -12.747 -6.139 1.066 1.00 71.21 C ATOM 656 CG1 VAL A 46 -11.424 -5.592 0.556 1.00 75.01 C ATOM 657 CG2 VAL A 46 -12.741 -7.661 1.044 1.00 74.35 C ATOM 0 H VAL A 46 -14.874 -6.647 2.313 1.00 63.25 H new ATOM 0 HA VAL A 46 -12.274 -5.985 3.160 1.00 20.20 H new ATOM 0 HB VAL A 46 -13.539 -5.792 0.403 1.00 71.21 H new ATOM 0 HG11 VAL A 46 -11.233 -5.977 -0.446 1.00 75.01 H new ATOM 0 HG12 VAL A 46 -11.468 -4.503 0.524 1.00 75.01 H new ATOM 0 HG13 VAL A 46 -10.620 -5.903 1.223 1.00 75.01 H new ATOM 0 HG21 VAL A 46 -12.528 -8.009 0.033 1.00 74.35 H new ATOM 0 HG22 VAL A 46 -11.975 -8.032 1.725 1.00 74.35 H new ATOM 0 HG23 VAL A 46 -13.716 -8.033 1.358 1.00 74.35 H new ATOM 667 N ALA A 47 -14.156 -3.500 2.076 1.00 74.41 N ATOM 668 CA ALA A 47 -14.320 -2.066 2.072 1.00 42.25 C ATOM 669 C ALA A 47 -14.137 -1.510 3.480 1.00 14.13 C ATOM 670 O ALA A 47 -13.437 -0.508 3.670 1.00 23.50 O ATOM 671 CB ALA A 47 -15.682 -1.677 1.516 1.00 72.32 C ATOM 0 H ALA A 47 -14.970 -4.015 1.740 1.00 74.41 H new ATOM 0 HA ALA A 47 -13.556 -1.635 1.425 1.00 42.25 H new ATOM 0 HB1 ALA A 47 -15.782 -0.592 1.523 1.00 72.32 H new ATOM 0 HB2 ALA A 47 -15.776 -2.043 0.494 1.00 72.32 H new ATOM 0 HB3 ALA A 47 -16.466 -2.117 2.132 1.00 72.32 H new ATOM 677 N GLN A 48 -14.724 -2.186 4.468 1.00 45.32 N ATOM 678 CA GLN A 48 -14.616 -1.744 5.859 1.00 64.24 C ATOM 679 C GLN A 48 -13.202 -1.949 6.404 1.00 70.14 C ATOM 680 O GLN A 48 -12.734 -1.154 7.196 1.00 44.54 O ATOM 681 CB GLN A 48 -15.698 -2.317 6.799 1.00 32.43 C ATOM 682 CG GLN A 48 -15.530 -3.766 7.188 1.00 54.31 C ATOM 683 CD GLN A 48 -16.661 -4.284 8.046 1.00 75.03 C ATOM 684 OE1 GLN A 48 -17.004 -5.460 7.997 1.00 1.23 O ATOM 685 NE2 GLN A 48 -17.238 -3.433 8.852 1.00 53.55 N ATOM 0 H GLN A 48 -15.274 -3.034 4.333 1.00 45.32 H new ATOM 0 HA GLN A 48 -14.815 -0.672 5.839 1.00 64.24 H new ATOM 0 HB2 GLN A 48 -15.718 -1.716 7.708 1.00 32.43 H new ATOM 0 HB3 GLN A 48 -16.669 -2.200 6.318 1.00 32.43 H new ATOM 0 HG2 GLN A 48 -15.459 -4.373 6.285 1.00 54.31 H new ATOM 0 HG3 GLN A 48 -14.590 -3.885 7.726 1.00 54.31 H new ATOM 0 HE21 GLN A 48 -16.931 -2.460 8.871 1.00 53.55 H new ATOM 0 HE22 GLN A 48 -17.995 -3.741 9.462 1.00 53.55 H new ATOM 694 N GLN A 49 -12.522 -3.021 5.960 1.00 5.03 N ATOM 695 CA GLN A 49 -11.133 -3.288 6.373 1.00 21.31 C ATOM 696 C GLN A 49 -10.288 -2.091 5.999 1.00 61.55 C ATOM 697 O GLN A 49 -9.538 -1.549 6.826 1.00 11.21 O ATOM 698 CB GLN A 49 -10.558 -4.523 5.652 1.00 33.44 C ATOM 699 CG GLN A 49 -11.358 -5.793 5.825 1.00 25.03 C ATOM 700 CD GLN A 49 -11.509 -6.196 7.260 1.00 22.24 C ATOM 701 OE1 GLN A 49 -12.444 -5.792 7.939 1.00 14.13 O ATOM 702 NE2 GLN A 49 -10.618 -7.000 7.721 1.00 34.42 N ATOM 0 H GLN A 49 -12.909 -3.713 5.319 1.00 5.03 H new ATOM 0 HA GLN A 49 -11.121 -3.473 7.447 1.00 21.31 H new ATOM 0 HB2 GLN A 49 -10.482 -4.301 4.587 1.00 33.44 H new ATOM 0 HB3 GLN A 49 -9.545 -4.697 6.014 1.00 33.44 H new ATOM 0 HG2 GLN A 49 -12.346 -5.657 5.385 1.00 25.03 H new ATOM 0 HG3 GLN A 49 -10.873 -6.600 5.275 1.00 25.03 H new ATOM 0 HE21 GLN A 49 -9.854 -7.313 7.122 1.00 34.42 H new ATOM 0 HE22 GLN A 49 -10.675 -7.325 8.686 1.00 34.42 H new ATOM 711 N LEU A 50 -10.488 -1.645 4.775 1.00 1.31 N ATOM 712 CA LEU A 50 -9.821 -0.484 4.232 1.00 13.11 C ATOM 713 C LEU A 50 -10.199 0.759 5.046 1.00 60.14 C ATOM 714 O LEU A 50 -9.337 1.540 5.425 1.00 74.13 O ATOM 715 CB LEU A 50 -10.239 -0.311 2.763 1.00 54.33 C ATOM 716 CG LEU A 50 -9.777 -1.389 1.773 1.00 71.12 C ATOM 717 CD1 LEU A 50 -10.393 -1.148 0.403 1.00 23.41 C ATOM 718 CD2 LEU A 50 -8.262 -1.404 1.658 1.00 53.33 C ATOM 0 H LEU A 50 -11.131 -2.089 4.120 1.00 1.31 H new ATOM 0 HA LEU A 50 -8.740 -0.616 4.286 1.00 13.11 H new ATOM 0 HB2 LEU A 50 -11.327 -0.261 2.725 1.00 54.33 H new ATOM 0 HB3 LEU A 50 -9.863 0.651 2.415 1.00 54.33 H new ATOM 0 HG LEU A 50 -10.108 -2.357 2.150 1.00 71.12 H new ATOM 0 HD11 LEU A 50 -10.056 -1.920 -0.288 1.00 23.41 H new ATOM 0 HD12 LEU A 50 -11.480 -1.180 0.482 1.00 23.41 H new ATOM 0 HD13 LEU A 50 -10.085 -0.170 0.033 1.00 23.41 H new ATOM 0 HD21 LEU A 50 -7.958 -2.176 0.951 1.00 53.33 H new ATOM 0 HD22 LEU A 50 -7.914 -0.433 1.306 1.00 53.33 H new ATOM 0 HD23 LEU A 50 -7.825 -1.614 2.634 1.00 53.33 H new ATOM 730 N ARG A 51 -11.490 0.885 5.372 1.00 14.24 N ATOM 731 CA ARG A 51 -12.008 2.020 6.165 1.00 53.42 C ATOM 732 C ARG A 51 -11.434 2.065 7.565 1.00 11.11 C ATOM 733 O ARG A 51 -11.334 3.136 8.164 1.00 25.53 O ATOM 734 CB ARG A 51 -13.538 2.029 6.233 1.00 61.41 C ATOM 735 CG ARG A 51 -14.216 2.238 4.896 1.00 44.04 C ATOM 736 CD ARG A 51 -15.725 2.315 5.029 1.00 15.31 C ATOM 737 NE ARG A 51 -16.152 3.469 5.836 1.00 42.24 N ATOM 738 CZ ARG A 51 -17.202 4.255 5.551 1.00 63.04 C ATOM 739 NH1 ARG A 51 -17.997 3.975 4.512 1.00 21.22 N ATOM 740 NH2 ARG A 51 -17.473 5.296 6.334 1.00 11.12 N ATOM 0 H ARG A 51 -12.206 0.212 5.099 1.00 14.24 H new ATOM 0 HA ARG A 51 -11.679 2.915 5.636 1.00 53.42 H new ATOM 0 HB2 ARG A 51 -13.877 1.084 6.656 1.00 61.41 H new ATOM 0 HB3 ARG A 51 -13.856 2.817 6.916 1.00 61.41 H new ATOM 0 HG2 ARG A 51 -13.845 3.156 4.441 1.00 44.04 H new ATOM 0 HG3 ARG A 51 -13.953 1.421 4.224 1.00 44.04 H new ATOM 0 HD2 ARG A 51 -16.173 2.381 4.037 1.00 15.31 H new ATOM 0 HD3 ARG A 51 -16.095 1.397 5.485 1.00 15.31 H new ATOM 0 HE ARG A 51 -15.611 3.687 6.673 1.00 42.24 H new ATOM 0 HH11 ARG A 51 -17.807 3.159 3.930 1.00 21.22 H new ATOM 0 HH12 ARG A 51 -18.793 4.577 4.302 1.00 21.22 H new ATOM 0 HH21 ARG A 51 -16.885 5.492 7.144 1.00 11.12 H new ATOM 0 HH22 ARG A 51 -18.269 5.898 6.124 1.00 11.12 H new ATOM 754 N GLU A 52 -11.033 0.924 8.074 1.00 73.33 N ATOM 755 CA GLU A 52 -10.502 0.852 9.409 1.00 40.21 C ATOM 756 C GLU A 52 -8.981 0.980 9.414 1.00 72.40 C ATOM 757 O GLU A 52 -8.330 0.812 10.457 1.00 54.04 O ATOM 758 CB GLU A 52 -10.977 -0.414 10.107 1.00 22.22 C ATOM 759 CG GLU A 52 -12.477 -0.430 10.363 1.00 12.10 C ATOM 760 CD GLU A 52 -12.942 -1.662 11.095 1.00 4.23 C ATOM 761 OE1 GLU A 52 -12.530 -1.866 12.251 1.00 23.40 O ATOM 762 OE2 GLU A 52 -13.770 -2.429 10.552 1.00 32.32 O ATOM 0 H GLU A 52 -11.066 0.032 7.580 1.00 73.33 H new ATOM 0 HA GLU A 52 -10.885 1.701 9.976 1.00 40.21 H new ATOM 0 HB2 GLU A 52 -10.709 -1.278 9.499 1.00 22.22 H new ATOM 0 HB3 GLU A 52 -10.452 -0.517 11.057 1.00 22.22 H new ATOM 0 HG2 GLU A 52 -12.750 0.453 10.941 1.00 12.10 H new ATOM 0 HG3 GLU A 52 -13.002 -0.362 9.410 1.00 12.10 H new ATOM 769 N GLY A 53 -8.422 1.281 8.245 1.00 54.35 N ATOM 770 CA GLY A 53 -7.000 1.533 8.115 1.00 51.43 C ATOM 771 C GLY A 53 -6.148 0.307 8.325 1.00 13.40 C ATOM 772 O GLY A 53 -5.067 0.393 8.907 1.00 24.23 O ATOM 0 H GLY A 53 -8.942 1.355 7.371 1.00 54.35 H new ATOM 0 HA2 GLY A 53 -6.801 1.938 7.123 1.00 51.43 H new ATOM 0 HA3 GLY A 53 -6.707 2.296 8.836 1.00 51.43 H new ATOM 776 N HIS A 54 -6.633 -0.832 7.880 1.00 53.21 N ATOM 777 CA HIS A 54 -5.873 -2.067 8.010 1.00 35.24 C ATOM 778 C HIS A 54 -4.906 -2.232 6.859 1.00 4.13 C ATOM 779 O HIS A 54 -3.835 -2.800 7.019 1.00 33.12 O ATOM 780 CB HIS A 54 -6.788 -3.293 8.094 1.00 30.21 C ATOM 781 CG HIS A 54 -7.610 -3.373 9.339 1.00 73.35 C ATOM 782 ND1 HIS A 54 -8.981 -3.249 9.370 1.00 22.11 N ATOM 783 CD2 HIS A 54 -7.231 -3.634 10.608 1.00 53.31 C ATOM 784 CE1 HIS A 54 -9.387 -3.438 10.623 1.00 11.24 C ATOM 785 NE2 HIS A 54 -8.360 -3.678 11.423 1.00 61.14 N ATOM 0 H HIS A 54 -7.542 -0.934 7.428 1.00 53.21 H new ATOM 0 HA HIS A 54 -5.311 -1.996 8.941 1.00 35.24 H new ATOM 0 HB2 HIS A 54 -7.456 -3.291 7.233 1.00 30.21 H new ATOM 0 HB3 HIS A 54 -6.176 -4.192 8.020 1.00 30.21 H new ATOM 0 HD2 HIS A 54 -6.214 -3.785 10.939 1.00 53.31 H new ATOM 0 HE1 HIS A 54 -10.417 -3.401 10.945 1.00 11.24 H new ATOM 0 HE2 HIS A 54 -8.389 -3.858 12.427 1.00 61.14 H new ATOM 793 N LEU A 55 -5.288 -1.722 5.709 1.00 14.35 N ATOM 794 CA LEU A 55 -4.496 -1.833 4.508 1.00 4.15 C ATOM 795 C LEU A 55 -4.968 -0.789 3.519 1.00 14.25 C ATOM 796 O LEU A 55 -5.991 -0.137 3.759 1.00 42.15 O ATOM 797 CB LEU A 55 -4.568 -3.260 3.878 1.00 14.04 C ATOM 798 CG LEU A 55 -5.916 -3.760 3.292 1.00 11.42 C ATOM 799 CD1 LEU A 55 -5.708 -5.092 2.617 1.00 1.40 C ATOM 800 CD2 LEU A 55 -7.000 -3.908 4.356 1.00 70.01 C ATOM 0 H LEU A 55 -6.164 -1.215 5.582 1.00 14.35 H new ATOM 0 HA LEU A 55 -3.451 -1.663 4.767 1.00 4.15 H new ATOM 0 HB2 LEU A 55 -3.826 -3.305 3.080 1.00 14.04 H new ATOM 0 HB3 LEU A 55 -4.258 -3.973 4.642 1.00 14.04 H new ATOM 0 HG LEU A 55 -6.253 -3.009 2.577 1.00 11.42 H new ATOM 0 HD11 LEU A 55 -6.654 -5.443 2.206 1.00 1.40 H new ATOM 0 HD12 LEU A 55 -4.981 -4.983 1.812 1.00 1.40 H new ATOM 0 HD13 LEU A 55 -5.338 -5.815 3.344 1.00 1.40 H new ATOM 0 HD21 LEU A 55 -7.921 -4.260 3.891 1.00 70.01 H new ATOM 0 HD22 LEU A 55 -6.676 -4.627 5.108 1.00 70.01 H new ATOM 0 HD23 LEU A 55 -7.179 -2.943 4.830 1.00 70.01 H new ATOM 812 N VAL A 56 -4.242 -0.626 2.433 1.00 20.34 N ATOM 813 CA VAL A 56 -4.590 0.330 1.398 1.00 20.32 C ATOM 814 C VAL A 56 -4.580 -0.356 0.053 1.00 3.13 C ATOM 815 O VAL A 56 -3.988 -1.433 -0.095 1.00 71.24 O ATOM 816 CB VAL A 56 -3.655 1.581 1.364 1.00 14.22 C ATOM 817 CG1 VAL A 56 -3.872 2.462 2.584 1.00 55.34 C ATOM 818 CG2 VAL A 56 -2.191 1.170 1.265 1.00 1.11 C ATOM 0 H VAL A 56 -3.391 -1.154 2.241 1.00 20.34 H new ATOM 0 HA VAL A 56 -5.588 0.699 1.634 1.00 20.32 H new ATOM 0 HB VAL A 56 -3.912 2.156 0.475 1.00 14.22 H new ATOM 0 HG11 VAL A 56 -3.208 3.325 2.533 1.00 55.34 H new ATOM 0 HG12 VAL A 56 -4.907 2.802 2.608 1.00 55.34 H new ATOM 0 HG13 VAL A 56 -3.657 1.892 3.488 1.00 55.34 H new ATOM 0 HG21 VAL A 56 -1.564 2.061 1.243 1.00 1.11 H new ATOM 0 HG22 VAL A 56 -1.925 0.560 2.128 1.00 1.11 H new ATOM 0 HG23 VAL A 56 -2.036 0.594 0.353 1.00 1.11 H new ATOM 828 N ALA A 57 -5.218 0.253 -0.905 1.00 54.32 N ATOM 829 CA ALA A 57 -5.347 -0.299 -2.223 1.00 64.41 C ATOM 830 C ALA A 57 -5.015 0.770 -3.224 1.00 12.41 C ATOM 831 O ALA A 57 -5.030 1.946 -2.888 1.00 31.53 O ATOM 832 CB ALA A 57 -6.771 -0.798 -2.440 1.00 44.44 C ATOM 0 H ALA A 57 -5.670 1.160 -0.791 1.00 54.32 H new ATOM 0 HA ALA A 57 -4.665 -1.141 -2.343 1.00 64.41 H new ATOM 0 HB1 ALA A 57 -6.861 -1.216 -3.443 1.00 44.44 H new ATOM 0 HB2 ALA A 57 -7.003 -1.568 -1.704 1.00 44.44 H new ATOM 0 HB3 ALA A 57 -7.468 0.032 -2.329 1.00 44.44 H new ATOM 838 N VAL A 58 -4.721 0.369 -4.431 1.00 13.50 N ATOM 839 CA VAL A 58 -4.394 1.283 -5.502 1.00 44.54 C ATOM 840 C VAL A 58 -5.181 0.934 -6.735 1.00 43.53 C ATOM 841 O VAL A 58 -5.788 -0.136 -6.810 1.00 1.14 O ATOM 842 CB VAL A 58 -2.885 1.317 -5.836 1.00 62.44 C ATOM 843 CG1 VAL A 58 -2.135 2.094 -4.783 1.00 42.34 C ATOM 844 CG2 VAL A 58 -2.323 -0.098 -5.946 1.00 5.52 C ATOM 0 H VAL A 58 -4.700 -0.613 -4.706 1.00 13.50 H new ATOM 0 HA VAL A 58 -4.662 2.280 -5.153 1.00 44.54 H new ATOM 0 HB VAL A 58 -2.758 1.813 -6.798 1.00 62.44 H new ATOM 0 HG11 VAL A 58 -1.073 2.110 -5.030 1.00 42.34 H new ATOM 0 HG12 VAL A 58 -2.515 3.115 -4.745 1.00 42.34 H new ATOM 0 HG13 VAL A 58 -2.274 1.619 -3.812 1.00 42.34 H new ATOM 0 HG21 VAL A 58 -1.260 -0.050 -6.182 1.00 5.52 H new ATOM 0 HG22 VAL A 58 -2.462 -0.619 -4.999 1.00 5.52 H new ATOM 0 HG23 VAL A 58 -2.846 -0.637 -6.736 1.00 5.52 H new ATOM 854 N ARG A 59 -5.203 1.823 -7.683 1.00 75.41 N ATOM 855 CA ARG A 59 -5.945 1.604 -8.885 1.00 43.41 C ATOM 856 C ARG A 59 -5.069 1.692 -10.109 1.00 21.51 C ATOM 857 O ARG A 59 -4.124 2.493 -10.163 1.00 14.11 O ATOM 858 CB ARG A 59 -7.111 2.580 -8.992 1.00 24.13 C ATOM 859 CG ARG A 59 -8.227 2.331 -8.001 1.00 73.45 C ATOM 860 CD ARG A 59 -9.267 3.443 -8.014 1.00 54.54 C ATOM 861 NE ARG A 59 -9.837 3.686 -9.349 1.00 73.13 N ATOM 862 CZ ARG A 59 -11.147 3.839 -9.617 1.00 12.03 C ATOM 863 NH1 ARG A 59 -12.057 3.725 -8.644 1.00 44.35 N ATOM 864 NH2 ARG A 59 -11.544 4.132 -10.856 1.00 71.32 N ATOM 0 H ARG A 59 -4.710 2.715 -7.644 1.00 75.41 H new ATOM 0 HA ARG A 59 -6.344 0.591 -8.836 1.00 43.41 H new ATOM 0 HB2 ARG A 59 -6.735 3.593 -8.850 1.00 24.13 H new ATOM 0 HB3 ARG A 59 -7.520 2.530 -10.001 1.00 24.13 H new ATOM 0 HG2 ARG A 59 -8.710 1.381 -8.232 1.00 73.45 H new ATOM 0 HG3 ARG A 59 -7.807 2.240 -6.999 1.00 73.45 H new ATOM 0 HD2 ARG A 59 -10.071 3.188 -7.323 1.00 54.54 H new ATOM 0 HD3 ARG A 59 -8.811 4.363 -7.647 1.00 54.54 H new ATOM 0 HE ARG A 59 -9.188 3.743 -10.133 1.00 73.13 H new ATOM 0 HH11 ARG A 59 -11.760 3.521 -7.690 1.00 44.35 H new ATOM 0 HH12 ARG A 59 -13.048 3.843 -8.856 1.00 44.35 H new ATOM 0 HH21 ARG A 59 -10.855 4.240 -11.600 1.00 71.32 H new ATOM 0 HH22 ARG A 59 -12.537 4.248 -11.059 1.00 71.32 H new ATOM 878 N ARG A 60 -5.365 0.838 -11.058 1.00 50.50 N ATOM 879 CA ARG A 60 -4.712 0.817 -12.350 1.00 11.23 C ATOM 880 C ARG A 60 -5.722 0.317 -13.373 1.00 64.44 C ATOM 881 O ARG A 60 -6.390 -0.706 -13.144 1.00 50.24 O ATOM 882 CB ARG A 60 -3.438 -0.058 -12.340 1.00 45.01 C ATOM 883 CG ARG A 60 -3.670 -1.520 -12.012 1.00 40.04 C ATOM 884 CD ARG A 60 -2.379 -2.304 -12.002 1.00 34.31 C ATOM 885 NE ARG A 60 -2.631 -3.718 -11.750 1.00 13.40 N ATOM 886 CZ ARG A 60 -1.966 -4.484 -10.886 1.00 13.35 C ATOM 887 NH1 ARG A 60 -0.975 -3.986 -10.158 1.00 41.34 N ATOM 888 NH2 ARG A 60 -2.309 -5.753 -10.752 1.00 23.22 N ATOM 0 H ARG A 60 -6.083 0.121 -10.954 1.00 50.50 H new ATOM 0 HA ARG A 60 -4.380 1.822 -12.609 1.00 11.23 H new ATOM 0 HB2 ARG A 60 -2.961 0.009 -13.318 1.00 45.01 H new ATOM 0 HB3 ARG A 60 -2.737 0.355 -11.615 1.00 45.01 H new ATOM 0 HG2 ARG A 60 -4.153 -1.602 -11.038 1.00 40.04 H new ATOM 0 HG3 ARG A 60 -4.353 -1.953 -12.743 1.00 40.04 H new ATOM 0 HD2 ARG A 60 -1.870 -2.186 -12.959 1.00 34.31 H new ATOM 0 HD3 ARG A 60 -1.714 -1.907 -11.236 1.00 34.31 H new ATOM 0 HE ARG A 60 -3.382 -4.159 -12.281 1.00 13.40 H new ATOM 0 HH11 ARG A 60 -0.713 -3.005 -10.256 1.00 41.34 H new ATOM 0 HH12 ARG A 60 -0.475 -4.584 -9.500 1.00 41.34 H new ATOM 0 HH21 ARG A 60 -3.075 -6.136 -11.307 1.00 23.22 H new ATOM 0 HH22 ARG A 60 -1.808 -6.350 -10.094 1.00 23.22 H new ATOM 902 N ALA A 61 -5.897 1.083 -14.443 1.00 43.41 N ATOM 903 CA ALA A 61 -6.878 0.811 -15.520 1.00 3.35 C ATOM 904 C ALA A 61 -8.312 0.898 -14.978 1.00 51.41 C ATOM 905 O ALA A 61 -9.275 0.435 -15.605 1.00 23.34 O ATOM 906 CB ALA A 61 -6.619 -0.540 -16.193 1.00 1.31 C ATOM 0 H ALA A 61 -5.355 1.933 -14.602 1.00 43.41 H new ATOM 0 HA ALA A 61 -6.755 1.578 -16.285 1.00 3.35 H new ATOM 0 HB1 ALA A 61 -7.358 -0.704 -16.977 1.00 1.31 H new ATOM 0 HB2 ALA A 61 -5.620 -0.543 -16.630 1.00 1.31 H new ATOM 0 HB3 ALA A 61 -6.694 -1.336 -15.452 1.00 1.31 H new ATOM 912 N GLY A 62 -8.448 1.534 -13.827 1.00 12.14 N ATOM 913 CA GLY A 62 -9.732 1.652 -13.174 1.00 35.11 C ATOM 914 C GLY A 62 -9.982 0.514 -12.199 1.00 42.44 C ATOM 915 O GLY A 62 -10.960 0.529 -11.469 1.00 74.33 O ATOM 0 H GLY A 62 -7.678 1.977 -13.326 1.00 12.14 H new ATOM 0 HA2 GLY A 62 -9.782 2.602 -12.642 1.00 35.11 H new ATOM 0 HA3 GLY A 62 -10.521 1.665 -13.926 1.00 35.11 H new ATOM 919 N GLY A 63 -9.090 -0.453 -12.189 1.00 71.32 N ATOM 920 CA GLY A 63 -9.229 -1.594 -11.318 1.00 71.44 C ATOM 921 C GLY A 63 -8.605 -1.350 -9.987 1.00 32.12 C ATOM 922 O GLY A 63 -7.548 -0.713 -9.908 1.00 45.11 O ATOM 0 H GLY A 63 -8.258 -0.469 -12.778 1.00 71.32 H new ATOM 0 HA2 GLY A 63 -10.286 -1.826 -11.187 1.00 71.44 H new ATOM 0 HA3 GLY A 63 -8.767 -2.465 -11.783 1.00 71.44 H new ATOM 926 N VAL A 64 -9.234 -1.849 -8.949 1.00 62.41 N ATOM 927 CA VAL A 64 -8.744 -1.681 -7.609 1.00 62.30 C ATOM 928 C VAL A 64 -7.976 -2.930 -7.247 1.00 44.11 C ATOM 929 O VAL A 64 -8.527 -4.038 -7.237 1.00 35.44 O ATOM 930 CB VAL A 64 -9.915 -1.488 -6.596 1.00 73.33 C ATOM 931 CG1 VAL A 64 -9.395 -1.244 -5.183 1.00 20.00 C ATOM 932 CG2 VAL A 64 -10.834 -0.350 -7.030 1.00 70.51 C ATOM 0 H VAL A 64 -10.101 -2.383 -9.014 1.00 62.41 H new ATOM 0 HA VAL A 64 -8.113 -0.793 -7.562 1.00 62.30 H new ATOM 0 HB VAL A 64 -10.493 -2.412 -6.587 1.00 73.33 H new ATOM 0 HG11 VAL A 64 -10.237 -1.114 -4.503 1.00 20.00 H new ATOM 0 HG12 VAL A 64 -8.798 -2.098 -4.862 1.00 20.00 H new ATOM 0 HG13 VAL A 64 -8.778 -0.346 -5.173 1.00 20.00 H new ATOM 0 HG21 VAL A 64 -11.641 -0.238 -6.306 1.00 70.51 H new ATOM 0 HG22 VAL A 64 -10.264 0.577 -7.085 1.00 70.51 H new ATOM 0 HG23 VAL A 64 -11.255 -0.576 -8.010 1.00 70.51 H new ATOM 942 N VAL A 65 -6.725 -2.750 -6.954 1.00 62.01 N ATOM 943 CA VAL A 65 -5.837 -3.838 -6.673 1.00 12.41 C ATOM 944 C VAL A 65 -5.020 -3.542 -5.434 1.00 72.11 C ATOM 945 O VAL A 65 -4.864 -2.381 -5.035 1.00 12.34 O ATOM 946 CB VAL A 65 -4.879 -4.137 -7.875 1.00 50.13 C ATOM 947 CG1 VAL A 65 -5.644 -4.683 -9.072 1.00 20.43 C ATOM 948 CG2 VAL A 65 -4.121 -2.892 -8.285 1.00 55.11 C ATOM 0 H VAL A 65 -6.285 -1.831 -6.902 1.00 62.01 H new ATOM 0 HA VAL A 65 -6.452 -4.722 -6.505 1.00 12.41 H new ATOM 0 HB VAL A 65 -4.169 -4.894 -7.540 1.00 50.13 H new ATOM 0 HG11 VAL A 65 -4.949 -4.880 -9.889 1.00 20.43 H new ATOM 0 HG12 VAL A 65 -6.146 -5.609 -8.791 1.00 20.43 H new ATOM 0 HG13 VAL A 65 -6.385 -3.952 -9.394 1.00 20.43 H new ATOM 0 HG21 VAL A 65 -3.463 -3.126 -9.122 1.00 55.11 H new ATOM 0 HG22 VAL A 65 -4.828 -2.118 -8.585 1.00 55.11 H new ATOM 0 HG23 VAL A 65 -3.526 -2.535 -7.444 1.00 55.11 H new ATOM 958 N ILE A 66 -4.527 -4.577 -4.821 1.00 40.51 N ATOM 959 CA ILE A 66 -3.702 -4.462 -3.644 1.00 73.13 C ATOM 960 C ILE A 66 -2.430 -5.267 -3.879 1.00 75.15 C ATOM 961 O ILE A 66 -2.511 -6.433 -4.266 1.00 63.11 O ATOM 962 CB ILE A 66 -4.428 -4.999 -2.364 1.00 13.24 C ATOM 963 CG1 ILE A 66 -5.762 -4.260 -2.156 1.00 13.33 C ATOM 964 CG2 ILE A 66 -3.531 -4.845 -1.127 1.00 62.41 C ATOM 965 CD1 ILE A 66 -6.545 -4.699 -0.936 1.00 20.45 C ATOM 0 H ILE A 66 -4.685 -5.538 -5.124 1.00 40.51 H new ATOM 0 HA ILE A 66 -3.480 -3.409 -3.474 1.00 73.13 H new ATOM 0 HB ILE A 66 -4.636 -6.060 -2.506 1.00 13.24 H new ATOM 0 HG12 ILE A 66 -5.561 -3.192 -2.077 1.00 13.33 H new ATOM 0 HG13 ILE A 66 -6.383 -4.403 -3.040 1.00 13.33 H new ATOM 0 HG21 ILE A 66 -4.054 -5.224 -0.249 1.00 62.41 H new ATOM 0 HG22 ILE A 66 -2.610 -5.410 -1.273 1.00 62.41 H new ATOM 0 HG23 ILE A 66 -3.291 -3.792 -0.980 1.00 62.41 H new ATOM 0 HD11 ILE A 66 -7.469 -4.125 -0.871 1.00 20.45 H new ATOM 0 HD12 ILE A 66 -6.782 -5.760 -1.018 1.00 20.45 H new ATOM 0 HD13 ILE A 66 -5.948 -4.529 -0.040 1.00 20.45 H new ATOM 977 N PRO A 67 -1.248 -4.654 -3.735 1.00 5.41 N ATOM 978 CA PRO A 67 0.031 -5.351 -3.890 1.00 2.11 C ATOM 979 C PRO A 67 0.131 -6.606 -3.006 1.00 11.32 C ATOM 980 O PRO A 67 -0.185 -6.557 -1.818 1.00 32.23 O ATOM 981 CB PRO A 67 1.053 -4.313 -3.449 1.00 15.03 C ATOM 982 CG PRO A 67 0.402 -3.012 -3.735 1.00 33.23 C ATOM 983 CD PRO A 67 -1.056 -3.217 -3.450 1.00 12.30 C ATOM 0 HA PRO A 67 0.175 -5.710 -4.909 1.00 2.11 H new ATOM 0 HB2 PRO A 67 1.291 -4.414 -2.390 1.00 15.03 H new ATOM 0 HB3 PRO A 67 1.989 -4.418 -3.998 1.00 15.03 H new ATOM 0 HG2 PRO A 67 0.816 -2.221 -3.109 1.00 33.23 H new ATOM 0 HG3 PRO A 67 0.560 -2.714 -4.772 1.00 33.23 H new ATOM 0 HD2 PRO A 67 -1.304 -2.973 -2.417 1.00 12.30 H new ATOM 0 HD3 PRO A 67 -1.684 -2.592 -4.085 1.00 12.30 H new ATOM 991 N GLN A 68 0.603 -7.714 -3.614 1.00 44.23 N ATOM 992 CA GLN A 68 0.739 -9.045 -2.962 1.00 10.00 C ATOM 993 C GLN A 68 1.447 -8.937 -1.612 1.00 43.41 C ATOM 994 O GLN A 68 1.029 -9.513 -0.626 1.00 31.33 O ATOM 995 CB GLN A 68 1.587 -9.960 -3.874 1.00 35.44 C ATOM 996 CG GLN A 68 1.852 -11.360 -3.310 1.00 12.42 C ATOM 997 CD GLN A 68 0.631 -12.262 -3.305 1.00 40.34 C ATOM 998 OE1 GLN A 68 0.469 -13.096 -2.408 1.00 64.13 O ATOM 999 NE2 GLN A 68 -0.181 -12.175 -4.338 1.00 45.10 N ATOM 0 H GLN A 68 0.907 -7.715 -4.588 1.00 44.23 H new ATOM 0 HA GLN A 68 -0.261 -9.450 -2.805 1.00 10.00 H new ATOM 0 HB2 GLN A 68 1.082 -10.060 -4.835 1.00 35.44 H new ATOM 0 HB3 GLN A 68 2.543 -9.473 -4.065 1.00 35.44 H new ATOM 0 HG2 GLN A 68 2.639 -11.834 -3.896 1.00 12.42 H new ATOM 0 HG3 GLN A 68 2.226 -11.266 -2.291 1.00 12.42 H new ATOM 0 HE21 GLN A 68 -0.015 -11.473 -5.059 1.00 45.10 H new ATOM 0 HE22 GLN A 68 -0.976 -12.809 -4.417 1.00 45.10 H new ATOM 1008 N VAL A 69 2.474 -8.134 -1.605 1.00 5.14 N ATOM 1009 CA VAL A 69 3.374 -7.956 -0.477 1.00 22.20 C ATOM 1010 C VAL A 69 2.766 -7.242 0.746 1.00 24.21 C ATOM 1011 O VAL A 69 3.414 -7.163 1.788 1.00 33.23 O ATOM 1012 CB VAL A 69 4.660 -7.252 -0.926 1.00 35.54 C ATOM 1013 CG1 VAL A 69 5.474 -8.189 -1.801 1.00 10.41 C ATOM 1014 CG2 VAL A 69 4.314 -5.984 -1.704 1.00 44.33 C ATOM 0 H VAL A 69 2.725 -7.560 -2.410 1.00 5.14 H new ATOM 0 HA VAL A 69 3.595 -8.965 -0.130 1.00 22.20 H new ATOM 0 HB VAL A 69 5.246 -6.980 -0.048 1.00 35.54 H new ATOM 0 HG11 VAL A 69 6.388 -7.687 -2.120 1.00 10.41 H new ATOM 0 HG12 VAL A 69 5.730 -9.085 -1.235 1.00 10.41 H new ATOM 0 HG13 VAL A 69 4.889 -8.468 -2.677 1.00 10.41 H new ATOM 0 HG21 VAL A 69 5.232 -5.489 -2.020 1.00 44.33 H new ATOM 0 HG22 VAL A 69 3.722 -6.245 -2.581 1.00 44.33 H new ATOM 0 HG23 VAL A 69 3.740 -5.311 -1.067 1.00 44.33 H new ATOM 1024 N PHE A 70 1.542 -6.725 0.620 1.00 10.00 N ATOM 1025 CA PHE A 70 0.853 -6.128 1.773 1.00 15.54 C ATOM 1026 C PHE A 70 0.277 -7.224 2.643 1.00 41.41 C ATOM 1027 O PHE A 70 -0.104 -7.015 3.807 1.00 1.21 O ATOM 1028 CB PHE A 70 -0.230 -5.126 1.340 1.00 44.24 C ATOM 1029 CG PHE A 70 0.301 -3.738 1.078 1.00 62.21 C ATOM 1030 CD1 PHE A 70 1.258 -3.509 0.112 1.00 32.24 C ATOM 1031 CD2 PHE A 70 -0.164 -2.665 1.815 1.00 53.42 C ATOM 1032 CE1 PHE A 70 1.744 -2.236 -0.115 1.00 23.22 C ATOM 1033 CE2 PHE A 70 0.315 -1.387 1.599 1.00 52.11 C ATOM 1034 CZ PHE A 70 1.272 -1.173 0.632 1.00 53.11 C ATOM 0 H PHE A 70 1.012 -6.706 -0.252 1.00 10.00 H new ATOM 0 HA PHE A 70 1.581 -5.562 2.354 1.00 15.54 H new ATOM 0 HB2 PHE A 70 -0.716 -5.496 0.437 1.00 44.24 H new ATOM 0 HB3 PHE A 70 -0.995 -5.073 2.115 1.00 44.24 H new ATOM 0 HD1 PHE A 70 1.632 -4.335 -0.474 1.00 32.24 H new ATOM 0 HD2 PHE A 70 -0.915 -2.828 2.573 1.00 53.42 H new ATOM 0 HE1 PHE A 70 2.493 -2.071 -0.876 1.00 23.22 H new ATOM 0 HE2 PHE A 70 -0.059 -0.561 2.185 1.00 52.11 H new ATOM 0 HZ PHE A 70 1.653 -0.177 0.458 1.00 53.11 H new ATOM 1044 N PHE A 71 0.236 -8.392 2.074 1.00 72.21 N ATOM 1045 CA PHE A 71 -0.177 -9.566 2.751 1.00 13.43 C ATOM 1046 C PHE A 71 1.047 -10.418 2.958 1.00 2.35 C ATOM 1047 O PHE A 71 2.038 -10.268 2.241 1.00 21.45 O ATOM 1048 CB PHE A 71 -1.228 -10.336 1.950 1.00 41.25 C ATOM 1049 CG PHE A 71 -2.536 -9.619 1.780 1.00 20.23 C ATOM 1050 CD1 PHE A 71 -3.543 -9.758 2.720 1.00 43.44 C ATOM 1051 CD2 PHE A 71 -2.767 -8.823 0.675 1.00 34.14 C ATOM 1052 CE1 PHE A 71 -4.753 -9.118 2.558 1.00 31.32 C ATOM 1053 CE2 PHE A 71 -3.973 -8.178 0.508 1.00 54.30 C ATOM 1054 CZ PHE A 71 -4.967 -8.326 1.449 1.00 73.03 C ATOM 0 H PHE A 71 0.497 -8.549 1.101 1.00 72.21 H new ATOM 0 HA PHE A 71 -0.637 -9.301 3.703 1.00 13.43 H new ATOM 0 HB2 PHE A 71 -0.821 -10.560 0.964 1.00 41.25 H new ATOM 0 HB3 PHE A 71 -1.414 -11.290 2.443 1.00 41.25 H new ATOM 0 HD1 PHE A 71 -3.378 -10.375 3.591 1.00 43.44 H new ATOM 0 HD2 PHE A 71 -1.992 -8.705 -0.068 1.00 34.14 H new ATOM 0 HE1 PHE A 71 -5.531 -9.236 3.297 1.00 31.32 H new ATOM 0 HE2 PHE A 71 -4.138 -7.557 -0.360 1.00 54.30 H new ATOM 0 HZ PHE A 71 -5.914 -7.822 1.319 1.00 73.03 H new ATOM 1064 N THR A 72 1.001 -11.275 3.923 1.00 42.25 N ATOM 1065 CA THR A 72 2.097 -12.120 4.228 1.00 15.31 C ATOM 1066 C THR A 72 2.039 -13.374 3.369 1.00 25.05 C ATOM 1067 O THR A 72 1.040 -13.619 2.675 1.00 24.22 O ATOM 1068 CB THR A 72 2.080 -12.509 5.709 1.00 50.33 C ATOM 1069 OG1 THR A 72 0.829 -13.150 6.035 1.00 21.23 O ATOM 1070 CG2 THR A 72 2.280 -11.289 6.599 1.00 75.22 C ATOM 0 H THR A 72 0.189 -11.407 4.527 1.00 42.25 H new ATOM 0 HA THR A 72 3.020 -11.579 4.018 1.00 15.31 H new ATOM 0 HB THR A 72 2.902 -13.202 5.887 1.00 50.33 H new ATOM 0 HG1 THR A 72 0.826 -13.397 6.983 1.00 21.23 H new ATOM 0 HG21 THR A 72 2.263 -11.595 7.645 1.00 75.22 H new ATOM 0 HG22 THR A 72 3.240 -10.826 6.371 1.00 75.22 H new ATOM 0 HG23 THR A 72 1.480 -10.572 6.418 1.00 75.22 H new ATOM 1078 N ASN A 73 3.075 -14.185 3.432 1.00 14.21 N ATOM 1079 CA ASN A 73 3.124 -15.429 2.655 1.00 21.12 C ATOM 1080 C ASN A 73 2.090 -16.437 3.196 1.00 11.15 C ATOM 1081 O ASN A 73 1.708 -17.387 2.517 1.00 1.12 O ATOM 1082 CB ASN A 73 4.541 -16.031 2.690 1.00 4.21 C ATOM 1083 CG ASN A 73 4.716 -17.238 1.768 1.00 55.02 C ATOM 1084 OD1 ASN A 73 4.075 -17.350 0.723 1.00 23.31 O ATOM 1085 ND2 ASN A 73 5.581 -18.133 2.140 1.00 13.23 N ATOM 0 H ASN A 73 3.899 -14.015 4.009 1.00 14.21 H new ATOM 0 HA ASN A 73 2.876 -15.203 1.618 1.00 21.12 H new ATOM 0 HB2 ASN A 73 5.260 -15.262 2.409 1.00 4.21 H new ATOM 0 HB3 ASN A 73 4.775 -16.328 3.712 1.00 4.21 H new ATOM 0 HD21 ASN A 73 5.744 -18.956 1.561 1.00 13.23 H new ATOM 0 HD22 ASN A 73 6.097 -18.012 3.012 1.00 13.23 H new ATOM 1092 N SER A 74 1.618 -16.197 4.411 1.00 34.15 N ATOM 1093 CA SER A 74 0.628 -17.052 5.039 1.00 41.32 C ATOM 1094 C SER A 74 -0.806 -16.595 4.685 1.00 31.04 C ATOM 1095 O SER A 74 -1.785 -17.145 5.181 1.00 52.32 O ATOM 1096 CB SER A 74 0.845 -17.036 6.546 1.00 3.23 C ATOM 1097 OG SER A 74 2.216 -17.301 6.847 1.00 12.22 O ATOM 0 H SER A 74 1.911 -15.406 4.985 1.00 34.15 H new ATOM 0 HA SER A 74 0.745 -18.070 4.666 1.00 41.32 H new ATOM 0 HB2 SER A 74 0.556 -16.067 6.953 1.00 3.23 H new ATOM 0 HB3 SER A 74 0.209 -17.783 7.021 1.00 3.23 H new ATOM 0 HG SER A 74 2.346 -17.287 7.818 1.00 12.22 H new ATOM 1103 N GLY A 75 -0.914 -15.570 3.843 1.00 52.50 N ATOM 1104 CA GLY A 75 -2.215 -15.112 3.385 1.00 51.41 C ATOM 1105 C GLY A 75 -2.926 -14.230 4.388 1.00 71.33 C ATOM 1106 O GLY A 75 -4.144 -14.077 4.335 1.00 20.40 O ATOM 0 H GLY A 75 -0.122 -15.047 3.469 1.00 52.50 H new ATOM 0 HA2 GLY A 75 -2.091 -14.562 2.452 1.00 51.41 H new ATOM 0 HA3 GLY A 75 -2.840 -15.977 3.165 1.00 51.41 H new ATOM 1110 N GLN A 76 -2.181 -13.666 5.302 1.00 51.55 N ATOM 1111 CA GLN A 76 -2.735 -12.769 6.305 1.00 23.31 C ATOM 1112 C GLN A 76 -2.222 -11.391 6.004 1.00 50.21 C ATOM 1113 O GLN A 76 -1.314 -11.260 5.214 1.00 65.20 O ATOM 1114 CB GLN A 76 -2.302 -13.191 7.712 1.00 20.44 C ATOM 1115 CG GLN A 76 -2.819 -14.553 8.142 1.00 64.21 C ATOM 1116 CD GLN A 76 -2.417 -14.930 9.559 1.00 44.14 C ATOM 1117 OE1 GLN A 76 -1.252 -14.515 9.993 1.00 40.01 O flip ATOM 1118 NE2 GLN A 76 -3.148 -15.633 10.251 1.00 30.40 N flip ATOM 0 H GLN A 76 -1.174 -13.809 5.380 1.00 51.55 H new ATOM 0 HA GLN A 76 -3.824 -12.797 6.274 1.00 23.31 H new ATOM 0 HB2 GLN A 76 -1.213 -13.198 7.758 1.00 20.44 H new ATOM 0 HB3 GLN A 76 -2.647 -12.443 8.426 1.00 20.44 H new ATOM 0 HG2 GLN A 76 -3.906 -14.562 8.066 1.00 64.21 H new ATOM 0 HG3 GLN A 76 -2.445 -15.310 7.452 1.00 64.21 H new ATOM 0 HE21 GLN A 76 -4.050 -15.942 9.889 1.00 30.40 H new ATOM 0 HE22 GLN A 76 -2.853 -15.908 11.188 1.00 30.40 H new ATOM 1127 N VAL A 77 -2.778 -10.369 6.585 1.00 54.41 N ATOM 1128 CA VAL A 77 -2.247 -9.055 6.317 1.00 43.12 C ATOM 1129 C VAL A 77 -1.099 -8.809 7.308 1.00 52.22 C ATOM 1130 O VAL A 77 -1.092 -9.406 8.400 1.00 23.54 O ATOM 1131 CB VAL A 77 -3.347 -7.935 6.387 1.00 51.25 C ATOM 1132 CG1 VAL A 77 -3.437 -7.251 7.742 1.00 54.34 C ATOM 1133 CG2 VAL A 77 -3.166 -6.929 5.269 1.00 64.34 C ATOM 0 H VAL A 77 -3.571 -10.408 7.226 1.00 54.41 H new ATOM 0 HA VAL A 77 -1.872 -9.010 5.294 1.00 43.12 H new ATOM 0 HB VAL A 77 -4.303 -8.440 6.250 1.00 51.25 H new ATOM 0 HG11 VAL A 77 -4.217 -6.490 7.715 1.00 54.34 H new ATOM 0 HG12 VAL A 77 -3.677 -7.989 8.507 1.00 54.34 H new ATOM 0 HG13 VAL A 77 -2.481 -6.782 7.977 1.00 54.34 H new ATOM 0 HG21 VAL A 77 -3.939 -6.164 5.339 1.00 64.34 H new ATOM 0 HG22 VAL A 77 -2.185 -6.462 5.355 1.00 64.34 H new ATOM 0 HG23 VAL A 77 -3.243 -7.436 4.307 1.00 64.34 H new ATOM 1143 N VAL A 78 -0.127 -7.999 6.936 1.00 2.34 N ATOM 1144 CA VAL A 78 1.024 -7.745 7.810 1.00 71.55 C ATOM 1145 C VAL A 78 0.580 -7.020 9.100 1.00 70.21 C ATOM 1146 O VAL A 78 -0.259 -6.117 9.062 1.00 24.23 O ATOM 1147 CB VAL A 78 2.137 -6.923 7.087 1.00 25.34 C ATOM 1148 CG1 VAL A 78 3.361 -6.732 7.978 1.00 45.02 C ATOM 1149 CG2 VAL A 78 2.538 -7.581 5.776 1.00 50.13 C ATOM 0 H VAL A 78 -0.102 -7.505 6.044 1.00 2.34 H new ATOM 0 HA VAL A 78 1.447 -8.714 8.074 1.00 71.55 H new ATOM 0 HB VAL A 78 1.721 -5.939 6.869 1.00 25.34 H new ATOM 0 HG11 VAL A 78 4.115 -6.156 7.442 1.00 45.02 H new ATOM 0 HG12 VAL A 78 3.072 -6.198 8.883 1.00 45.02 H new ATOM 0 HG13 VAL A 78 3.771 -7.706 8.246 1.00 45.02 H new ATOM 0 HG21 VAL A 78 3.315 -6.987 5.294 1.00 50.13 H new ATOM 0 HG22 VAL A 78 2.918 -8.584 5.973 1.00 50.13 H new ATOM 0 HG23 VAL A 78 1.670 -7.644 5.120 1.00 50.13 H new ATOM 1159 N LYS A 79 1.126 -7.442 10.228 1.00 72.33 N ATOM 1160 CA LYS A 79 0.796 -6.872 11.532 1.00 54.34 C ATOM 1161 C LYS A 79 1.221 -5.409 11.647 1.00 15.44 C ATOM 1162 O LYS A 79 0.489 -4.574 12.164 1.00 75.14 O ATOM 1163 CB LYS A 79 1.447 -7.694 12.652 1.00 14.25 C ATOM 1164 CG LYS A 79 1.194 -7.138 14.042 1.00 1.22 C ATOM 1165 CD LYS A 79 1.795 -8.015 15.123 1.00 43.22 C ATOM 1166 CE LYS A 79 1.397 -7.528 16.514 1.00 74.32 C ATOM 1167 NZ LYS A 79 -0.074 -7.574 16.715 1.00 22.43 N ATOM 0 H LYS A 79 1.815 -8.193 10.270 1.00 72.33 H new ATOM 0 HA LYS A 79 -0.289 -6.909 11.634 1.00 54.34 H new ATOM 0 HB2 LYS A 79 1.072 -8.716 12.605 1.00 14.25 H new ATOM 0 HB3 LYS A 79 2.522 -7.740 12.479 1.00 14.25 H new ATOM 0 HG2 LYS A 79 1.615 -6.135 14.113 1.00 1.22 H new ATOM 0 HG3 LYS A 79 0.120 -7.046 14.206 1.00 1.22 H new ATOM 0 HD2 LYS A 79 1.463 -9.044 14.986 1.00 43.22 H new ATOM 0 HD3 LYS A 79 2.881 -8.016 15.032 1.00 43.22 H new ATOM 0 HE2 LYS A 79 1.886 -8.144 17.268 1.00 74.32 H new ATOM 0 HE3 LYS A 79 1.752 -6.507 16.657 1.00 74.32 H new ATOM 0 HZ1 LYS A 79 -0.287 -7.536 17.732 1.00 22.43 H new ATOM 0 HZ2 LYS A 79 -0.515 -6.762 16.238 1.00 22.43 H new ATOM 0 HZ3 LYS A 79 -0.452 -8.457 16.315 1.00 22.43 H new ATOM 1181 N SER A 80 2.375 -5.107 11.125 1.00 63.31 N ATOM 1182 CA SER A 80 2.942 -3.782 11.249 1.00 11.32 C ATOM 1183 C SER A 80 2.384 -2.841 10.141 1.00 1.25 C ATOM 1184 O SER A 80 2.684 -1.635 10.106 1.00 41.14 O ATOM 1185 CB SER A 80 4.479 -3.916 11.200 1.00 32.33 C ATOM 1186 OG SER A 80 5.157 -2.744 11.632 1.00 1.54 O ATOM 0 H SER A 80 2.953 -5.765 10.602 1.00 63.31 H new ATOM 0 HA SER A 80 2.661 -3.326 12.198 1.00 11.32 H new ATOM 0 HB2 SER A 80 4.784 -4.756 11.825 1.00 32.33 H new ATOM 0 HB3 SER A 80 4.785 -4.150 10.180 1.00 32.33 H new ATOM 0 HG SER A 80 4.640 -1.953 11.373 1.00 1.54 H new ATOM 1192 N LEU A 81 1.515 -3.392 9.289 1.00 62.04 N ATOM 1193 CA LEU A 81 0.920 -2.652 8.184 1.00 23.10 C ATOM 1194 C LEU A 81 -0.007 -1.504 8.654 1.00 53.45 C ATOM 1195 O LEU A 81 0.214 -0.351 8.261 1.00 51.43 O ATOM 1196 CB LEU A 81 0.221 -3.591 7.194 1.00 54.12 C ATOM 1197 CG LEU A 81 -0.535 -2.937 6.051 1.00 64.33 C ATOM 1198 CD1 LEU A 81 0.396 -2.120 5.199 1.00 3.44 C ATOM 1199 CD2 LEU A 81 -1.207 -3.987 5.221 1.00 15.10 C ATOM 0 H LEU A 81 1.208 -4.363 9.350 1.00 62.04 H new ATOM 0 HA LEU A 81 1.742 -2.170 7.655 1.00 23.10 H new ATOM 0 HB2 LEU A 81 0.972 -4.257 6.768 1.00 54.12 H new ATOM 0 HB3 LEU A 81 -0.478 -4.214 7.752 1.00 54.12 H new ATOM 0 HG LEU A 81 -1.291 -2.271 6.467 1.00 64.33 H new ATOM 0 HD11 LEU A 81 -0.165 -1.660 4.386 1.00 3.44 H new ATOM 0 HD12 LEU A 81 0.858 -1.342 5.807 1.00 3.44 H new ATOM 0 HD13 LEU A 81 1.171 -2.765 4.786 1.00 3.44 H new ATOM 0 HD21 LEU A 81 -1.748 -3.513 4.402 1.00 15.10 H new ATOM 0 HD22 LEU A 81 -0.457 -4.665 4.815 1.00 15.10 H new ATOM 0 HD23 LEU A 81 -1.906 -4.548 5.841 1.00 15.10 H new ATOM 1211 N PRO A 82 -1.043 -1.767 9.525 1.00 64.21 N ATOM 1212 CA PRO A 82 -1.931 -0.700 10.005 1.00 62.40 C ATOM 1213 C PRO A 82 -1.140 0.398 10.716 1.00 33.20 C ATOM 1214 O PRO A 82 -1.467 1.584 10.613 1.00 13.11 O ATOM 1215 CB PRO A 82 -2.857 -1.410 11.002 1.00 14.35 C ATOM 1216 CG PRO A 82 -2.828 -2.837 10.597 1.00 14.14 C ATOM 1217 CD PRO A 82 -1.450 -3.084 10.077 1.00 73.03 C ATOM 0 HA PRO A 82 -2.467 -0.213 9.190 1.00 62.40 H new ATOM 0 HB2 PRO A 82 -2.507 -1.282 12.026 1.00 14.35 H new ATOM 0 HB3 PRO A 82 -3.869 -1.007 10.958 1.00 14.35 H new ATOM 0 HG2 PRO A 82 -3.049 -3.488 11.443 1.00 14.14 H new ATOM 0 HG3 PRO A 82 -3.577 -3.042 9.832 1.00 14.14 H new ATOM 0 HD2 PRO A 82 -0.776 -3.413 10.868 1.00 73.03 H new ATOM 0 HD3 PRO A 82 -1.444 -3.859 9.311 1.00 73.03 H new ATOM 1225 N GLY A 83 -0.066 -0.007 11.383 1.00 72.30 N ATOM 1226 CA GLY A 83 0.766 0.918 12.110 1.00 24.14 C ATOM 1227 C GLY A 83 1.491 1.882 11.193 1.00 52.15 C ATOM 1228 O GLY A 83 1.483 3.091 11.434 1.00 12.11 O ATOM 0 H GLY A 83 0.243 -0.978 11.430 1.00 72.30 H new ATOM 0 HA2 GLY A 83 0.152 1.481 12.813 1.00 24.14 H new ATOM 0 HA3 GLY A 83 1.495 0.362 12.699 1.00 24.14 H new ATOM 1232 N LEU A 84 2.066 1.363 10.103 1.00 24.04 N ATOM 1233 CA LEU A 84 2.800 2.207 9.164 1.00 72.33 C ATOM 1234 C LEU A 84 1.847 3.180 8.490 1.00 31.01 C ATOM 1235 O LEU A 84 2.158 4.351 8.303 1.00 62.13 O ATOM 1236 CB LEU A 84 3.635 1.378 8.142 1.00 20.54 C ATOM 1237 CG LEU A 84 2.896 0.632 7.014 1.00 34.42 C ATOM 1238 CD1 LEU A 84 2.700 1.517 5.781 1.00 71.42 C ATOM 1239 CD2 LEU A 84 3.620 -0.648 6.653 1.00 75.10 C ATOM 0 H LEU A 84 2.037 0.374 9.854 1.00 24.04 H new ATOM 0 HA LEU A 84 3.532 2.786 9.727 1.00 72.33 H new ATOM 0 HB2 LEU A 84 4.353 2.054 7.676 1.00 20.54 H new ATOM 0 HB3 LEU A 84 4.209 0.642 8.704 1.00 20.54 H new ATOM 0 HG LEU A 84 1.905 0.373 7.387 1.00 34.42 H new ATOM 0 HD11 LEU A 84 2.175 0.954 5.009 1.00 71.42 H new ATOM 0 HD12 LEU A 84 2.113 2.394 6.053 1.00 71.42 H new ATOM 0 HD13 LEU A 84 3.672 1.834 5.402 1.00 71.42 H new ATOM 0 HD21 LEU A 84 3.081 -1.158 5.855 1.00 75.10 H new ATOM 0 HD22 LEU A 84 4.629 -0.412 6.316 1.00 75.10 H new ATOM 0 HD23 LEU A 84 3.672 -1.296 7.528 1.00 75.10 H new ATOM 1251 N LEU A 85 0.668 2.693 8.155 1.00 51.03 N ATOM 1252 CA LEU A 85 -0.338 3.518 7.518 1.00 20.35 C ATOM 1253 C LEU A 85 -0.776 4.642 8.441 1.00 70.32 C ATOM 1254 O LEU A 85 -1.036 5.746 8.000 1.00 62.51 O ATOM 1255 CB LEU A 85 -1.540 2.676 7.113 1.00 54.41 C ATOM 1256 CG LEU A 85 -1.271 1.573 6.094 1.00 32.35 C ATOM 1257 CD1 LEU A 85 -2.514 0.748 5.887 1.00 40.35 C ATOM 1258 CD2 LEU A 85 -0.796 2.161 4.771 1.00 60.33 C ATOM 0 H LEU A 85 0.383 1.727 8.314 1.00 51.03 H new ATOM 0 HA LEU A 85 0.102 3.957 6.622 1.00 20.35 H new ATOM 0 HB2 LEU A 85 -1.958 2.220 8.010 1.00 54.41 H new ATOM 0 HB3 LEU A 85 -2.303 3.340 6.707 1.00 54.41 H new ATOM 0 HG LEU A 85 -0.481 0.930 6.481 1.00 32.35 H new ATOM 0 HD11 LEU A 85 -2.313 -0.037 5.158 1.00 40.35 H new ATOM 0 HD12 LEU A 85 -2.813 0.297 6.833 1.00 40.35 H new ATOM 0 HD13 LEU A 85 -3.318 1.387 5.520 1.00 40.35 H new ATOM 0 HD21 LEU A 85 -0.611 1.355 4.060 1.00 60.33 H new ATOM 0 HD22 LEU A 85 -1.562 2.827 4.373 1.00 60.33 H new ATOM 0 HD23 LEU A 85 0.125 2.722 4.932 1.00 60.33 H new ATOM 1270 N THR A 86 -0.806 4.359 9.723 1.00 55.51 N ATOM 1271 CA THR A 86 -1.244 5.335 10.706 1.00 42.24 C ATOM 1272 C THR A 86 -0.217 6.488 10.874 1.00 60.13 C ATOM 1273 O THR A 86 -0.605 7.674 10.928 1.00 63.10 O ATOM 1274 CB THR A 86 -1.570 4.657 12.064 1.00 51.11 C ATOM 1275 OG1 THR A 86 -2.558 3.624 11.839 1.00 33.32 O ATOM 1276 CG2 THR A 86 -2.133 5.663 13.063 1.00 22.54 C ATOM 0 H THR A 86 -0.532 3.458 10.115 1.00 55.51 H new ATOM 0 HA THR A 86 -2.164 5.783 10.331 1.00 42.24 H new ATOM 0 HB THR A 86 -0.650 4.239 12.474 1.00 51.11 H new ATOM 0 HG1 THR A 86 -2.107 2.786 11.604 1.00 33.32 H new ATOM 0 HG21 THR A 86 -2.351 5.158 14.004 1.00 22.54 H new ATOM 0 HG22 THR A 86 -1.401 6.452 13.236 1.00 22.54 H new ATOM 0 HG23 THR A 86 -3.049 6.098 12.664 1.00 22.54 H new ATOM 1284 N ILE A 87 1.073 6.155 10.908 1.00 52.21 N ATOM 1285 CA ILE A 87 2.112 7.176 11.050 1.00 21.24 C ATOM 1286 C ILE A 87 2.185 8.060 9.788 1.00 3.05 C ATOM 1287 O ILE A 87 2.262 9.292 9.881 1.00 24.33 O ATOM 1288 CB ILE A 87 3.515 6.557 11.497 1.00 5.43 C ATOM 1289 CG1 ILE A 87 4.641 7.612 11.705 1.00 44.42 C ATOM 1290 CG2 ILE A 87 3.984 5.442 10.577 1.00 65.45 C ATOM 1291 CD1 ILE A 87 5.305 8.145 10.440 1.00 54.11 C ATOM 0 H ILE A 87 1.421 5.199 10.840 1.00 52.21 H new ATOM 0 HA ILE A 87 1.833 7.837 11.870 1.00 21.24 H new ATOM 0 HB ILE A 87 3.315 6.125 12.477 1.00 5.43 H new ATOM 0 HG12 ILE A 87 4.223 8.456 12.254 1.00 44.42 H new ATOM 0 HG13 ILE A 87 5.412 7.171 12.337 1.00 44.42 H new ATOM 0 HG21 ILE A 87 4.942 5.059 10.929 1.00 65.45 H new ATOM 0 HG22 ILE A 87 3.249 4.637 10.577 1.00 65.45 H new ATOM 0 HG23 ILE A 87 4.098 5.829 9.565 1.00 65.45 H new ATOM 0 HD11 ILE A 87 6.072 8.871 10.710 1.00 54.11 H new ATOM 0 HD12 ILE A 87 5.763 7.320 9.894 1.00 54.11 H new ATOM 0 HD13 ILE A 87 4.556 8.625 9.810 1.00 54.11 H new ATOM 1303 N LEU A 88 2.093 7.442 8.616 1.00 4.24 N ATOM 1304 CA LEU A 88 2.078 8.194 7.361 1.00 65.53 C ATOM 1305 C LEU A 88 0.827 9.040 7.239 1.00 42.54 C ATOM 1306 O LEU A 88 0.864 10.138 6.679 1.00 0.23 O ATOM 1307 CB LEU A 88 2.251 7.311 6.128 1.00 62.44 C ATOM 1308 CG LEU A 88 3.681 6.879 5.738 1.00 75.41 C ATOM 1309 CD1 LEU A 88 4.575 8.085 5.481 1.00 14.30 C ATOM 1310 CD2 LEU A 88 4.297 5.966 6.765 1.00 14.44 C ATOM 0 H LEU A 88 2.028 6.430 8.506 1.00 4.24 H new ATOM 0 HA LEU A 88 2.945 8.854 7.399 1.00 65.53 H new ATOM 0 HB2 LEU A 88 1.659 6.408 6.279 1.00 62.44 H new ATOM 0 HB3 LEU A 88 1.818 7.837 5.277 1.00 62.44 H new ATOM 0 HG LEU A 88 3.596 6.315 4.809 1.00 75.41 H new ATOM 0 HD11 LEU A 88 5.574 7.746 5.209 1.00 14.30 H new ATOM 0 HD12 LEU A 88 4.159 8.679 4.667 1.00 14.30 H new ATOM 0 HD13 LEU A 88 4.632 8.694 6.383 1.00 14.30 H new ATOM 0 HD21 LEU A 88 5.302 5.688 6.448 1.00 14.44 H new ATOM 0 HD22 LEU A 88 4.348 6.480 7.725 1.00 14.44 H new ATOM 0 HD23 LEU A 88 3.687 5.068 6.866 1.00 14.44 H new ATOM 1322 N HIS A 89 -0.277 8.521 7.750 1.00 51.33 N ATOM 1323 CA HIS A 89 -1.543 9.239 7.768 1.00 51.33 C ATOM 1324 C HIS A 89 -1.398 10.545 8.555 1.00 35.33 C ATOM 1325 O HIS A 89 -1.972 11.556 8.184 1.00 20.11 O ATOM 1326 CB HIS A 89 -2.662 8.365 8.372 1.00 53.33 C ATOM 1327 CG HIS A 89 -4.019 9.014 8.409 1.00 74.15 C ATOM 1328 ND1 HIS A 89 -4.597 9.525 9.552 1.00 31.43 N ATOM 1329 CD2 HIS A 89 -4.913 9.222 7.414 1.00 42.41 C ATOM 1330 CE1 HIS A 89 -5.792 10.016 9.229 1.00 75.31 C ATOM 1331 NE2 HIS A 89 -6.036 9.858 7.936 1.00 64.42 N ATOM 0 H HIS A 89 -0.322 7.590 8.164 1.00 51.33 H new ATOM 0 HA HIS A 89 -1.818 9.477 6.741 1.00 51.33 H new ATOM 0 HB2 HIS A 89 -2.732 7.441 7.798 1.00 53.33 H new ATOM 0 HB3 HIS A 89 -2.379 8.088 9.388 1.00 53.33 H new ATOM 0 HD2 HIS A 89 -4.777 8.940 6.380 1.00 42.41 H new ATOM 0 HE1 HIS A 89 -6.472 10.481 9.928 1.00 75.31 H new ATOM 0 HE2 HIS A 89 -6.873 10.143 7.428 1.00 64.42 H new ATOM 1339 N ASP A 90 -0.597 10.525 9.617 1.00 4.30 N ATOM 1340 CA ASP A 90 -0.378 11.740 10.422 1.00 63.31 C ATOM 1341 C ASP A 90 0.433 12.768 9.637 1.00 4.10 C ATOM 1342 O ASP A 90 0.242 13.986 9.780 1.00 30.34 O ATOM 1343 CB ASP A 90 0.310 11.426 11.765 1.00 24.13 C ATOM 1344 CG ASP A 90 0.543 12.674 12.611 1.00 65.40 C ATOM 1345 OD1 ASP A 90 -0.437 13.298 13.056 1.00 44.14 O ATOM 1346 OD2 ASP A 90 1.712 13.065 12.830 1.00 14.44 O ATOM 0 H ASP A 90 -0.093 9.700 9.942 1.00 4.30 H new ATOM 0 HA ASP A 90 -1.359 12.160 10.646 1.00 63.31 H new ATOM 0 HB2 ASP A 90 -0.302 10.720 12.326 1.00 24.13 H new ATOM 0 HB3 ASP A 90 1.265 10.937 11.574 1.00 24.13 H new ATOM 1351 N GLY A 91 1.294 12.273 8.768 1.00 64.03 N ATOM 1352 CA GLY A 91 2.100 13.140 7.929 1.00 71.30 C ATOM 1353 C GLY A 91 1.340 13.573 6.685 1.00 14.43 C ATOM 1354 O GLY A 91 1.802 14.421 5.921 1.00 3.05 O ATOM 0 H GLY A 91 1.453 11.276 8.625 1.00 64.03 H new ATOM 0 HA2 GLY A 91 2.402 14.020 8.497 1.00 71.30 H new ATOM 0 HA3 GLY A 91 3.013 12.620 7.637 1.00 71.30 H new ATOM 1358 N GLY A 92 0.192 12.963 6.479 1.00 73.23 N ATOM 1359 CA GLY A 92 -0.662 13.299 5.373 1.00 3.24 C ATOM 1360 C GLY A 92 -0.172 12.749 4.057 1.00 1.15 C ATOM 1361 O GLY A 92 -0.098 13.479 3.056 1.00 65.13 O ATOM 0 H GLY A 92 -0.171 12.221 7.077 1.00 73.23 H new ATOM 0 HA2 GLY A 92 -1.665 12.919 5.568 1.00 3.24 H new ATOM 0 HA3 GLY A 92 -0.741 14.384 5.300 1.00 3.24 H new ATOM 1365 N TYR A 93 0.188 11.490 4.042 1.00 73.23 N ATOM 1366 CA TYR A 93 0.659 10.862 2.832 1.00 13.30 C ATOM 1367 C TYR A 93 -0.357 9.872 2.302 1.00 12.23 C ATOM 1368 O TYR A 93 -0.862 9.034 3.043 1.00 11.14 O ATOM 1369 CB TYR A 93 2.038 10.216 3.034 1.00 74.40 C ATOM 1370 CG TYR A 93 3.132 11.234 3.292 1.00 62.52 C ATOM 1371 CD1 TYR A 93 3.423 11.665 4.578 1.00 24.14 C ATOM 1372 CD2 TYR A 93 3.852 11.783 2.242 1.00 44.54 C ATOM 1373 CE1 TYR A 93 4.402 12.611 4.810 1.00 40.14 C ATOM 1374 CE2 TYR A 93 4.829 12.732 2.466 1.00 64.51 C ATOM 1375 CZ TYR A 93 5.097 13.143 3.751 1.00 73.50 C ATOM 1376 OH TYR A 93 6.062 14.097 3.974 1.00 61.52 O ATOM 0 H TYR A 93 0.164 10.877 4.857 1.00 73.23 H new ATOM 0 HA TYR A 93 0.780 11.639 2.077 1.00 13.30 H new ATOM 0 HB2 TYR A 93 1.989 9.521 3.873 1.00 74.40 H new ATOM 0 HB3 TYR A 93 2.293 9.631 2.150 1.00 74.40 H new ATOM 0 HD1 TYR A 93 2.874 11.254 5.412 1.00 24.14 H new ATOM 0 HD2 TYR A 93 3.645 11.463 1.232 1.00 44.54 H new ATOM 0 HE1 TYR A 93 4.620 12.931 5.818 1.00 40.14 H new ATOM 0 HE2 TYR A 93 5.380 13.150 1.636 1.00 64.51 H new ATOM 0 HH TYR A 93 6.459 14.367 3.120 1.00 61.52 H new ATOM 1386 N ARG A 94 -0.671 10.001 1.024 1.00 61.55 N ATOM 1387 CA ARG A 94 -1.645 9.138 0.368 1.00 0.12 C ATOM 1388 C ARG A 94 -1.050 7.751 0.108 1.00 72.23 C ATOM 1389 O ARG A 94 0.172 7.560 0.179 1.00 21.40 O ATOM 1390 CB ARG A 94 -2.153 9.750 -0.962 1.00 22.30 C ATOM 1391 CG ARG A 94 -1.063 9.897 -2.002 1.00 44.21 C ATOM 1392 CD ARG A 94 -1.556 10.393 -3.348 1.00 5.11 C ATOM 1393 NE ARG A 94 -0.450 10.420 -4.328 1.00 12.02 N ATOM 1394 CZ ARG A 94 -0.570 10.567 -5.653 1.00 23.44 C ATOM 1395 NH1 ARG A 94 -1.744 10.835 -6.213 1.00 62.15 N ATOM 1396 NH2 ARG A 94 0.507 10.473 -6.404 1.00 65.11 N ATOM 0 H ARG A 94 -0.260 10.705 0.411 1.00 61.55 H new ATOM 0 HA ARG A 94 -2.496 9.043 1.042 1.00 0.12 H new ATOM 0 HB2 ARG A 94 -2.948 9.122 -1.364 1.00 22.30 H new ATOM 0 HB3 ARG A 94 -2.590 10.728 -0.761 1.00 22.30 H new ATOM 0 HG2 ARG A 94 -0.308 10.587 -1.627 1.00 44.21 H new ATOM 0 HG3 ARG A 94 -0.573 8.933 -2.139 1.00 44.21 H new ATOM 0 HD2 ARG A 94 -2.355 9.746 -3.710 1.00 5.11 H new ATOM 0 HD3 ARG A 94 -1.979 11.392 -3.241 1.00 5.11 H new ATOM 0 HE ARG A 94 0.495 10.317 -3.959 1.00 12.02 H new ATOM 0 HH11 ARG A 94 -2.576 10.933 -5.631 1.00 62.15 H new ATOM 0 HH12 ARG A 94 -1.814 10.943 -7.225 1.00 62.15 H new ATOM 0 HH21 ARG A 94 1.414 10.291 -5.974 1.00 65.11 H new ATOM 0 HH22 ARG A 94 0.435 10.582 -7.416 1.00 65.11 H new ATOM 1410 N ASP A 95 -1.913 6.854 -0.305 1.00 21.42 N ATOM 1411 CA ASP A 95 -1.645 5.426 -0.550 1.00 25.53 C ATOM 1412 C ASP A 95 -0.479 5.232 -1.517 1.00 24.52 C ATOM 1413 O ASP A 95 0.445 4.427 -1.269 1.00 22.34 O ATOM 1414 CB ASP A 95 -2.924 4.804 -1.171 1.00 74.44 C ATOM 1415 CG ASP A 95 -3.308 5.488 -2.498 1.00 43.13 C ATOM 1416 OD1 ASP A 95 -3.544 6.726 -2.498 1.00 63.40 O ATOM 1417 OD2 ASP A 95 -3.246 4.849 -3.554 1.00 63.34 O ATOM 0 H ASP A 95 -2.885 7.099 -0.495 1.00 21.42 H new ATOM 0 HA ASP A 95 -1.381 4.946 0.393 1.00 25.53 H new ATOM 0 HB2 ASP A 95 -2.763 3.740 -1.344 1.00 74.44 H new ATOM 0 HB3 ASP A 95 -3.750 4.891 -0.465 1.00 74.44 H new ATOM 1422 N THR A 96 -0.503 6.004 -2.566 1.00 53.11 N ATOM 1423 CA THR A 96 0.457 5.949 -3.597 1.00 14.43 C ATOM 1424 C THR A 96 1.836 6.332 -3.061 1.00 32.42 C ATOM 1425 O THR A 96 2.833 5.675 -3.351 1.00 53.50 O ATOM 1426 CB THR A 96 0.017 6.888 -4.721 1.00 20.14 C ATOM 1427 OG1 THR A 96 -1.340 6.542 -5.126 1.00 62.42 O ATOM 1428 CG2 THR A 96 0.955 6.789 -5.906 1.00 44.13 C ATOM 0 H THR A 96 -1.223 6.710 -2.719 1.00 53.11 H new ATOM 0 HA THR A 96 0.532 4.934 -3.987 1.00 14.43 H new ATOM 0 HB THR A 96 0.044 7.915 -4.357 1.00 20.14 H new ATOM 0 HG1 THR A 96 -1.800 7.345 -5.448 1.00 62.42 H new ATOM 0 HG21 THR A 96 0.621 7.466 -6.692 1.00 44.13 H new ATOM 0 HG22 THR A 96 1.963 7.063 -5.596 1.00 44.13 H new ATOM 0 HG23 THR A 96 0.957 5.767 -6.284 1.00 44.13 H new ATOM 1436 N GLU A 97 1.871 7.357 -2.227 1.00 61.34 N ATOM 1437 CA GLU A 97 3.121 7.835 -1.684 1.00 54.22 C ATOM 1438 C GLU A 97 3.734 6.816 -0.743 1.00 71.14 C ATOM 1439 O GLU A 97 4.947 6.674 -0.701 1.00 3.44 O ATOM 1440 CB GLU A 97 2.982 9.188 -0.992 1.00 72.22 C ATOM 1441 CG GLU A 97 2.336 10.263 -1.849 1.00 51.11 C ATOM 1442 CD GLU A 97 2.940 10.417 -3.219 1.00 34.02 C ATOM 1443 OE1 GLU A 97 4.014 11.030 -3.349 1.00 62.40 O ATOM 1444 OE2 GLU A 97 2.325 9.937 -4.193 1.00 31.52 O ATOM 0 H GLU A 97 1.047 7.870 -1.914 1.00 61.34 H new ATOM 0 HA GLU A 97 3.792 7.976 -2.532 1.00 54.22 H new ATOM 0 HB2 GLU A 97 2.393 9.060 -0.084 1.00 72.22 H new ATOM 0 HB3 GLU A 97 3.970 9.529 -0.685 1.00 72.22 H new ATOM 0 HG2 GLU A 97 1.276 10.035 -1.957 1.00 51.11 H new ATOM 0 HG3 GLU A 97 2.405 11.217 -1.326 1.00 51.11 H new ATOM 1451 N ILE A 98 2.881 6.076 -0.015 1.00 65.13 N ATOM 1452 CA ILE A 98 3.369 5.091 0.957 1.00 3.52 C ATOM 1453 C ILE A 98 4.176 4.044 0.219 1.00 33.21 C ATOM 1454 O ILE A 98 5.318 3.753 0.561 1.00 14.21 O ATOM 1455 CB ILE A 98 2.206 4.313 1.659 1.00 43.14 C ATOM 1456 CG1 ILE A 98 1.049 5.220 2.094 1.00 32.14 C ATOM 1457 CG2 ILE A 98 2.731 3.531 2.852 1.00 75.22 C ATOM 1458 CD1 ILE A 98 1.434 6.358 2.998 1.00 30.51 C ATOM 0 H ILE A 98 1.865 6.141 -0.081 1.00 65.13 H new ATOM 0 HA ILE A 98 3.945 5.640 1.702 1.00 3.52 H new ATOM 0 HB ILE A 98 1.806 3.624 0.915 1.00 43.14 H new ATOM 0 HG12 ILE A 98 0.574 5.630 1.202 1.00 32.14 H new ATOM 0 HG13 ILE A 98 0.301 4.610 2.602 1.00 32.14 H new ATOM 0 HG21 ILE A 98 1.908 2.997 3.327 1.00 75.22 H new ATOM 0 HG22 ILE A 98 3.482 2.816 2.516 1.00 75.22 H new ATOM 0 HG23 ILE A 98 3.179 4.219 3.569 1.00 75.22 H new ATOM 0 HD11 ILE A 98 0.547 6.940 3.249 1.00 30.51 H new ATOM 0 HD12 ILE A 98 1.879 5.963 3.911 1.00 30.51 H new ATOM 0 HD13 ILE A 98 2.156 6.998 2.490 1.00 30.51 H new ATOM 1470 N MET A 99 3.588 3.533 -0.847 1.00 42.23 N ATOM 1471 CA MET A 99 4.231 2.512 -1.638 1.00 34.21 C ATOM 1472 C MET A 99 5.341 3.057 -2.527 1.00 50.13 C ATOM 1473 O MET A 99 6.157 2.303 -3.028 1.00 31.31 O ATOM 1474 CB MET A 99 3.232 1.663 -2.419 1.00 34.20 C ATOM 1475 CG MET A 99 2.348 2.411 -3.381 1.00 32.11 C ATOM 1476 SD MET A 99 1.281 1.294 -4.304 1.00 15.34 S ATOM 1477 CE MET A 99 0.370 0.527 -2.960 1.00 43.23 C ATOM 0 H MET A 99 2.666 3.812 -1.181 1.00 42.23 H new ATOM 0 HA MET A 99 4.716 1.847 -0.923 1.00 34.21 H new ATOM 0 HB2 MET A 99 3.784 0.906 -2.976 1.00 34.20 H new ATOM 0 HB3 MET A 99 2.597 1.135 -1.707 1.00 34.20 H new ATOM 0 HG2 MET A 99 1.737 3.128 -2.833 1.00 32.11 H new ATOM 0 HG3 MET A 99 2.965 2.982 -4.075 1.00 32.11 H new ATOM 0 HE1 MET A 99 -0.464 -0.045 -3.366 1.00 43.23 H new ATOM 0 HE2 MET A 99 1.031 -0.139 -2.406 1.00 43.23 H new ATOM 0 HE3 MET A 99 -0.011 1.299 -2.291 1.00 43.23 H new ATOM 1487 N ARG A 100 5.372 4.366 -2.697 1.00 31.00 N ATOM 1488 CA ARG A 100 6.369 5.026 -3.525 1.00 74.03 C ATOM 1489 C ARG A 100 7.780 4.752 -2.985 1.00 4.23 C ATOM 1490 O ARG A 100 8.598 4.139 -3.664 1.00 70.35 O ATOM 1491 CB ARG A 100 6.067 6.519 -3.568 1.00 43.00 C ATOM 1492 CG ARG A 100 6.983 7.352 -4.426 1.00 74.12 C ATOM 1493 CD ARG A 100 6.545 8.798 -4.375 1.00 13.25 C ATOM 1494 NE ARG A 100 7.434 9.680 -5.133 1.00 40.14 N ATOM 1495 CZ ARG A 100 7.231 10.981 -5.323 1.00 14.00 C ATOM 1496 NH1 ARG A 100 6.145 11.571 -4.843 1.00 33.12 N ATOM 1497 NH2 ARG A 100 8.129 11.699 -5.989 1.00 14.51 N ATOM 0 H ARG A 100 4.705 5.005 -2.264 1.00 31.00 H new ATOM 0 HA ARG A 100 6.329 4.631 -4.540 1.00 74.03 H new ATOM 0 HB2 ARG A 100 5.046 6.653 -3.924 1.00 43.00 H new ATOM 0 HB3 ARG A 100 6.103 6.907 -2.550 1.00 43.00 H new ATOM 0 HG2 ARG A 100 8.011 7.260 -4.075 1.00 74.12 H new ATOM 0 HG3 ARG A 100 6.963 6.991 -5.454 1.00 74.12 H new ATOM 0 HD2 ARG A 100 5.532 8.882 -4.770 1.00 13.25 H new ATOM 0 HD3 ARG A 100 6.511 9.127 -3.337 1.00 13.25 H new ATOM 0 HE ARG A 100 8.270 9.267 -5.546 1.00 40.14 H new ATOM 0 HH11 ARG A 100 5.457 11.027 -4.323 1.00 33.12 H new ATOM 0 HH12 ARG A 100 5.998 12.569 -4.994 1.00 33.12 H new ATOM 0 HH21 ARG A 100 8.971 11.252 -6.353 1.00 14.51 H new ATOM 0 HH22 ARG A 100 7.977 12.697 -6.136 1.00 14.51 H new ATOM 1511 N TRP A 101 8.048 5.195 -1.765 1.00 52.13 N ATOM 1512 CA TRP A 101 9.338 4.935 -1.121 1.00 55.32 C ATOM 1513 C TRP A 101 9.527 3.463 -0.758 1.00 64.41 C ATOM 1514 O TRP A 101 10.638 2.946 -0.769 1.00 32.43 O ATOM 1515 CB TRP A 101 9.623 5.897 0.058 1.00 12.12 C ATOM 1516 CG TRP A 101 8.482 6.090 1.012 1.00 22.14 C ATOM 1517 CD1 TRP A 101 7.585 7.113 0.999 1.00 2.11 C ATOM 1518 CD2 TRP A 101 8.119 5.258 2.122 1.00 62.44 C ATOM 1519 NE1 TRP A 101 6.686 6.965 2.015 1.00 11.01 N ATOM 1520 CE2 TRP A 101 6.990 5.836 2.720 1.00 13.53 C ATOM 1521 CE3 TRP A 101 8.634 4.083 2.664 1.00 33.24 C ATOM 1522 CZ2 TRP A 101 6.368 5.281 3.825 1.00 72.02 C ATOM 1523 CZ3 TRP A 101 8.014 3.534 3.759 1.00 22.12 C ATOM 1524 CH2 TRP A 101 6.892 4.131 4.330 1.00 4.13 C ATOM 0 H TRP A 101 7.394 5.735 -1.198 1.00 52.13 H new ATOM 0 HA TRP A 101 10.102 5.154 -1.867 1.00 55.32 H new ATOM 0 HB2 TRP A 101 10.482 5.521 0.614 1.00 12.12 H new ATOM 0 HB3 TRP A 101 9.906 6.869 -0.347 1.00 12.12 H new ATOM 0 HD1 TRP A 101 7.585 7.925 0.287 1.00 2.11 H new ATOM 0 HE1 TRP A 101 5.911 7.597 2.216 1.00 11.01 H new ATOM 0 HE3 TRP A 101 9.505 3.613 2.231 1.00 33.24 H new ATOM 0 HZ2 TRP A 101 5.499 5.743 4.270 1.00 72.02 H new ATOM 0 HZ3 TRP A 101 8.404 2.622 4.186 1.00 22.12 H new ATOM 0 HH2 TRP A 101 6.429 3.672 5.191 1.00 4.13 H new ATOM 1535 N LEU A 102 8.428 2.803 -0.441 1.00 72.30 N ATOM 1536 CA LEU A 102 8.426 1.392 -0.063 1.00 31.22 C ATOM 1537 C LEU A 102 8.919 0.451 -1.169 1.00 52.02 C ATOM 1538 O LEU A 102 9.628 -0.522 -0.887 1.00 42.52 O ATOM 1539 CB LEU A 102 7.033 0.972 0.382 1.00 31.45 C ATOM 1540 CG LEU A 102 6.679 1.101 1.856 1.00 50.51 C ATOM 1541 CD1 LEU A 102 5.240 0.690 2.090 1.00 52.10 C ATOM 1542 CD2 LEU A 102 7.598 0.246 2.691 1.00 42.30 C ATOM 0 H LEU A 102 7.502 3.230 -0.437 1.00 72.30 H new ATOM 0 HA LEU A 102 9.135 1.301 0.760 1.00 31.22 H new ATOM 0 HB2 LEU A 102 6.311 1.559 -0.186 1.00 31.45 H new ATOM 0 HB3 LEU A 102 6.892 -0.070 0.096 1.00 31.45 H new ATOM 0 HG LEU A 102 6.801 2.143 2.150 1.00 50.51 H new ATOM 0 HD11 LEU A 102 5.001 0.788 3.149 1.00 52.10 H new ATOM 0 HD12 LEU A 102 4.579 1.332 1.508 1.00 52.10 H new ATOM 0 HD13 LEU A 102 5.103 -0.346 1.781 1.00 52.10 H new ATOM 0 HD21 LEU A 102 7.333 0.348 3.743 1.00 42.30 H new ATOM 0 HD22 LEU A 102 7.497 -0.797 2.391 1.00 42.30 H new ATOM 0 HD23 LEU A 102 8.629 0.568 2.543 1.00 42.30 H new ATOM 1554 N PHE A 103 8.535 0.712 -2.399 1.00 51.52 N ATOM 1555 CA PHE A 103 8.911 -0.168 -3.499 1.00 61.34 C ATOM 1556 C PHE A 103 10.263 0.141 -4.080 1.00 21.12 C ATOM 1557 O PHE A 103 10.846 -0.692 -4.789 1.00 62.22 O ATOM 1558 CB PHE A 103 7.840 -0.232 -4.574 1.00 21.01 C ATOM 1559 CG PHE A 103 6.700 -1.137 -4.216 1.00 74.42 C ATOM 1560 CD1 PHE A 103 5.747 -0.760 -3.289 1.00 52.53 C ATOM 1561 CD2 PHE A 103 6.595 -2.378 -4.809 1.00 33.11 C ATOM 1562 CE1 PHE A 103 4.706 -1.599 -2.967 1.00 22.30 C ATOM 1563 CE2 PHE A 103 5.558 -3.222 -4.493 1.00 32.00 C ATOM 1564 CZ PHE A 103 4.611 -2.831 -3.572 1.00 15.22 C ATOM 0 H PHE A 103 7.968 1.516 -2.668 1.00 51.52 H new ATOM 0 HA PHE A 103 8.994 -1.162 -3.059 1.00 61.34 H new ATOM 0 HB2 PHE A 103 7.456 0.772 -4.756 1.00 21.01 H new ATOM 0 HB3 PHE A 103 8.289 -0.575 -5.506 1.00 21.01 H new ATOM 0 HD1 PHE A 103 5.821 0.206 -2.811 1.00 52.53 H new ATOM 0 HD2 PHE A 103 7.336 -2.690 -5.530 1.00 33.11 H new ATOM 0 HE1 PHE A 103 3.966 -1.292 -2.242 1.00 22.30 H new ATOM 0 HE2 PHE A 103 5.485 -4.190 -4.966 1.00 32.00 H new ATOM 0 HZ PHE A 103 3.793 -3.492 -3.325 1.00 15.22 H new ATOM 1574 N THR A 104 10.771 1.301 -3.795 1.00 33.04 N ATOM 1575 CA THR A 104 12.079 1.642 -4.231 1.00 32.52 C ATOM 1576 C THR A 104 13.098 1.102 -3.238 1.00 34.25 C ATOM 1577 O THR A 104 12.980 1.359 -2.035 1.00 32.22 O ATOM 1578 CB THR A 104 12.224 3.160 -4.395 1.00 14.41 C ATOM 1579 OG1 THR A 104 11.660 3.824 -3.250 1.00 11.55 O ATOM 1580 CG2 THR A 104 11.529 3.631 -5.663 1.00 14.42 C ATOM 0 H THR A 104 10.293 2.026 -3.260 1.00 33.04 H new ATOM 0 HA THR A 104 12.258 1.190 -5.207 1.00 32.52 H new ATOM 0 HB THR A 104 13.283 3.405 -4.472 1.00 14.41 H new ATOM 0 HG1 THR A 104 11.730 3.240 -2.466 1.00 11.55 H new ATOM 0 HG21 THR A 104 11.643 4.711 -5.761 1.00 14.42 H new ATOM 0 HG22 THR A 104 11.976 3.139 -6.527 1.00 14.42 H new ATOM 0 HG23 THR A 104 10.469 3.382 -5.611 1.00 14.42 H new ATOM 1588 N PRO A 105 14.063 0.289 -3.709 1.00 1.52 N ATOM 1589 CA PRO A 105 15.113 -0.264 -2.860 1.00 53.45 C ATOM 1590 C PRO A 105 15.837 0.829 -2.067 1.00 1.30 C ATOM 1591 O PRO A 105 16.170 1.905 -2.607 1.00 33.11 O ATOM 1592 CB PRO A 105 16.053 -0.933 -3.859 1.00 24.24 C ATOM 1593 CG PRO A 105 15.186 -1.284 -5.006 1.00 31.01 C ATOM 1594 CD PRO A 105 14.191 -0.170 -5.107 1.00 21.24 C ATOM 0 HA PRO A 105 14.726 -0.950 -2.106 1.00 53.45 H new ATOM 0 HB2 PRO A 105 16.856 -0.260 -4.160 1.00 24.24 H new ATOM 0 HB3 PRO A 105 16.522 -1.819 -3.431 1.00 24.24 H new ATOM 0 HG2 PRO A 105 15.767 -1.377 -5.924 1.00 31.01 H new ATOM 0 HG3 PRO A 105 14.690 -2.241 -4.845 1.00 31.01 H new ATOM 0 HD2 PRO A 105 14.542 0.627 -5.763 1.00 21.24 H new ATOM 0 HD3 PRO A 105 13.238 -0.515 -5.507 1.00 21.24 H new ATOM 1602 N ASP A 106 16.045 0.573 -0.802 1.00 55.31 N ATOM 1603 CA ASP A 106 16.675 1.536 0.073 1.00 73.00 C ATOM 1604 C ASP A 106 18.168 1.290 0.135 1.00 61.43 C ATOM 1605 O ASP A 106 18.604 0.198 0.521 1.00 34.32 O ATOM 1606 CB ASP A 106 16.092 1.463 1.475 1.00 14.40 C ATOM 1607 CG ASP A 106 16.676 2.512 2.392 1.00 72.44 C ATOM 1608 OD1 ASP A 106 16.154 3.632 2.449 1.00 15.31 O ATOM 1609 OD2 ASP A 106 17.658 2.231 3.089 1.00 51.14 O ATOM 0 H ASP A 106 15.785 -0.303 -0.348 1.00 55.31 H new ATOM 0 HA ASP A 106 16.486 2.530 -0.333 1.00 73.00 H new ATOM 0 HB2 ASP A 106 15.011 1.589 1.424 1.00 14.40 H new ATOM 0 HB3 ASP A 106 16.278 0.474 1.893 1.00 14.40 H new ATOM 1614 N PRO A 107 18.977 2.293 -0.238 1.00 41.12 N ATOM 1615 CA PRO A 107 20.442 2.175 -0.274 1.00 71.24 C ATOM 1616 C PRO A 107 21.070 1.859 1.092 1.00 41.42 C ATOM 1617 O PRO A 107 22.167 1.301 1.169 1.00 40.34 O ATOM 1618 CB PRO A 107 20.906 3.553 -0.760 1.00 11.34 C ATOM 1619 CG PRO A 107 19.764 4.467 -0.489 1.00 11.43 C ATOM 1620 CD PRO A 107 18.533 3.639 -0.667 1.00 3.45 C ATOM 0 HA PRO A 107 20.747 1.347 -0.913 1.00 71.24 H new ATOM 0 HB2 PRO A 107 21.803 3.876 -0.231 1.00 11.34 H new ATOM 0 HB3 PRO A 107 21.152 3.534 -1.822 1.00 11.34 H new ATOM 0 HG2 PRO A 107 19.819 4.874 0.521 1.00 11.43 H new ATOM 0 HG3 PRO A 107 19.769 5.314 -1.175 1.00 11.43 H new ATOM 0 HD2 PRO A 107 17.707 4.006 -0.057 1.00 3.45 H new ATOM 0 HD3 PRO A 107 18.190 3.641 -1.702 1.00 3.45 H new ATOM 1628 N SER A 108 20.375 2.194 2.156 1.00 42.45 N ATOM 1629 CA SER A 108 20.895 2.019 3.482 1.00 55.44 C ATOM 1630 C SER A 108 20.358 0.733 4.109 1.00 4.21 C ATOM 1631 O SER A 108 20.705 0.385 5.250 1.00 41.10 O ATOM 1632 CB SER A 108 20.522 3.233 4.330 1.00 12.31 C ATOM 1633 OG SER A 108 20.951 4.442 3.697 1.00 11.34 O ATOM 0 H SER A 108 19.437 2.594 2.121 1.00 42.45 H new ATOM 0 HA SER A 108 21.981 1.934 3.435 1.00 55.44 H new ATOM 0 HB2 SER A 108 19.443 3.259 4.482 1.00 12.31 H new ATOM 0 HB3 SER A 108 20.981 3.150 5.315 1.00 12.31 H new ATOM 0 HG SER A 108 20.702 5.209 4.254 1.00 11.34 H new ATOM 1639 N LEU A 109 19.553 0.011 3.364 1.00 35.15 N ATOM 1640 CA LEU A 109 18.956 -1.183 3.870 1.00 51.23 C ATOM 1641 C LEU A 109 19.678 -2.406 3.348 1.00 52.30 C ATOM 1642 O LEU A 109 19.902 -2.561 2.148 1.00 21.24 O ATOM 1643 CB LEU A 109 17.486 -1.256 3.489 1.00 40.40 C ATOM 1644 CG LEU A 109 16.711 -2.440 4.055 1.00 13.15 C ATOM 1645 CD1 LEU A 109 16.572 -2.330 5.566 1.00 4.02 C ATOM 1646 CD2 LEU A 109 15.359 -2.553 3.394 1.00 53.34 C ATOM 0 H LEU A 109 19.302 0.239 2.402 1.00 35.15 H new ATOM 0 HA LEU A 109 19.038 -1.160 4.957 1.00 51.23 H new ATOM 0 HB2 LEU A 109 16.999 -0.337 3.817 1.00 40.40 H new ATOM 0 HB3 LEU A 109 17.413 -1.285 2.402 1.00 40.40 H new ATOM 0 HG LEU A 109 17.273 -3.349 3.839 1.00 13.15 H new ATOM 0 HD11 LEU A 109 16.015 -3.188 5.944 1.00 4.02 H new ATOM 0 HD12 LEU A 109 17.562 -2.311 6.022 1.00 4.02 H new ATOM 0 HD13 LEU A 109 16.039 -1.413 5.817 1.00 4.02 H new ATOM 0 HD21 LEU A 109 14.820 -3.404 3.811 1.00 53.34 H new ATOM 0 HD22 LEU A 109 14.790 -1.641 3.572 1.00 53.34 H new ATOM 0 HD23 LEU A 109 15.489 -2.696 2.321 1.00 53.34 H new ATOM 1658 N THR A 110 20.106 -3.210 4.254 1.00 51.54 N ATOM 1659 CA THR A 110 20.720 -4.469 3.964 1.00 10.11 C ATOM 1660 C THR A 110 20.062 -5.491 4.865 1.00 14.22 C ATOM 1661 O THR A 110 20.131 -5.359 6.082 1.00 50.20 O ATOM 1662 CB THR A 110 22.230 -4.396 4.225 1.00 74.23 C ATOM 1663 OG1 THR A 110 22.761 -3.287 3.474 1.00 74.31 O ATOM 1664 CG2 THR A 110 22.920 -5.684 3.787 1.00 71.12 C ATOM 0 H THR A 110 20.039 -3.009 5.252 1.00 51.54 H new ATOM 0 HA THR A 110 20.590 -4.742 2.917 1.00 10.11 H new ATOM 0 HB THR A 110 22.408 -4.263 5.292 1.00 74.23 H new ATOM 0 HG1 THR A 110 23.727 -3.220 3.627 1.00 74.31 H new ATOM 0 HG21 THR A 110 23.990 -5.608 3.982 1.00 71.12 H new ATOM 0 HG22 THR A 110 22.508 -6.525 4.345 1.00 71.12 H new ATOM 0 HG23 THR A 110 22.756 -5.840 2.721 1.00 71.12 H new ATOM 1672 N ILE A 111 19.383 -6.450 4.288 1.00 5.41 N ATOM 1673 CA ILE A 111 18.628 -7.425 5.067 1.00 30.32 C ATOM 1674 C ILE A 111 18.760 -8.817 4.516 1.00 63.10 C ATOM 1675 O ILE A 111 19.177 -9.013 3.377 1.00 44.35 O ATOM 1676 CB ILE A 111 17.112 -7.100 5.101 1.00 4.13 C ATOM 1677 CG1 ILE A 111 16.579 -6.828 3.674 1.00 72.15 C ATOM 1678 CG2 ILE A 111 16.807 -5.962 6.057 1.00 14.10 C ATOM 1679 CD1 ILE A 111 15.080 -6.679 3.584 1.00 15.52 C ATOM 0 H ILE A 111 19.332 -6.585 3.278 1.00 5.41 H new ATOM 0 HA ILE A 111 19.052 -7.370 6.069 1.00 30.32 H new ATOM 0 HB ILE A 111 16.585 -7.974 5.484 1.00 4.13 H new ATOM 0 HG12 ILE A 111 17.045 -5.920 3.293 1.00 72.15 H new ATOM 0 HG13 ILE A 111 16.890 -7.644 3.022 1.00 72.15 H new ATOM 0 HG21 ILE A 111 15.735 -5.762 6.055 1.00 14.10 H new ATOM 0 HG22 ILE A 111 17.122 -6.238 7.063 1.00 14.10 H new ATOM 0 HG23 ILE A 111 17.344 -5.067 5.741 1.00 14.10 H new ATOM 0 HD11 ILE A 111 14.795 -6.491 2.549 1.00 15.52 H new ATOM 0 HD12 ILE A 111 14.602 -7.595 3.932 1.00 15.52 H new ATOM 0 HD13 ILE A 111 14.759 -5.844 4.206 1.00 15.52 H new ATOM 1691 N THR A 112 18.409 -9.770 5.331 1.00 52.52 N ATOM 1692 CA THR A 112 18.311 -11.131 4.914 1.00 20.23 C ATOM 1693 C THR A 112 16.851 -11.411 4.611 1.00 45.00 C ATOM 1694 O THR A 112 15.953 -11.073 5.405 1.00 61.44 O ATOM 1695 CB THR A 112 18.887 -12.115 5.984 1.00 15.22 C ATOM 1696 OG1 THR A 112 18.618 -13.495 5.657 1.00 43.54 O ATOM 1697 CG2 THR A 112 18.385 -11.799 7.392 1.00 14.41 C ATOM 0 H THR A 112 18.181 -9.618 6.314 1.00 52.52 H new ATOM 0 HA THR A 112 18.915 -11.292 4.021 1.00 20.23 H new ATOM 0 HB THR A 112 19.967 -11.968 5.971 1.00 15.22 H new ATOM 0 HG1 THR A 112 18.648 -13.613 4.685 1.00 43.54 H new ATOM 0 HG21 THR A 112 18.813 -12.510 8.099 1.00 14.41 H new ATOM 0 HG22 THR A 112 18.686 -10.788 7.667 1.00 14.41 H new ATOM 0 HG23 THR A 112 17.298 -11.873 7.416 1.00 14.41 H new ATOM 1705 N ARG A 113 16.612 -11.977 3.473 1.00 32.52 N ATOM 1706 CA ARG A 113 15.256 -12.213 3.013 1.00 43.13 C ATOM 1707 C ARG A 113 14.840 -13.631 3.385 1.00 75.42 C ATOM 1708 O ARG A 113 15.695 -14.498 3.550 1.00 53.10 O ATOM 1709 CB ARG A 113 15.171 -12.011 1.486 1.00 1.42 C ATOM 1710 CG ARG A 113 13.753 -12.005 0.954 1.00 22.41 C ATOM 1711 CD ARG A 113 13.686 -11.859 -0.549 1.00 24.20 C ATOM 1712 NE ARG A 113 12.294 -11.702 -0.996 1.00 31.13 N ATOM 1713 CZ ARG A 113 11.676 -12.435 -1.936 1.00 74.21 C ATOM 1714 NH1 ARG A 113 12.293 -13.461 -2.515 1.00 41.02 N ATOM 1715 NH2 ARG A 113 10.426 -12.150 -2.280 1.00 50.31 N ATOM 0 H ARG A 113 17.337 -12.292 2.829 1.00 32.52 H new ATOM 0 HA ARG A 113 14.581 -11.503 3.491 1.00 43.13 H new ATOM 0 HB2 ARG A 113 15.652 -11.068 1.225 1.00 1.42 H new ATOM 0 HB3 ARG A 113 15.733 -12.803 0.991 1.00 1.42 H new ATOM 0 HG2 ARG A 113 13.258 -12.931 1.246 1.00 22.41 H new ATOM 0 HG3 ARG A 113 13.200 -11.188 1.418 1.00 22.41 H new ATOM 0 HD2 ARG A 113 14.273 -10.995 -0.862 1.00 24.20 H new ATOM 0 HD3 ARG A 113 14.129 -12.734 -1.024 1.00 24.20 H new ATOM 0 HE ARG A 113 11.746 -10.967 -0.550 1.00 31.13 H new ATOM 0 HH11 ARG A 113 13.248 -13.700 -2.246 1.00 41.02 H new ATOM 0 HH12 ARG A 113 11.812 -14.009 -3.228 1.00 41.02 H new ATOM 0 HH21 ARG A 113 9.937 -11.376 -1.831 1.00 50.31 H new ATOM 0 HH22 ARG A 113 9.954 -12.705 -2.994 1.00 50.31 H new ATOM 1729 N ASP A 114 13.553 -13.872 3.537 1.00 63.43 N ATOM 1730 CA ASP A 114 13.078 -15.213 3.853 1.00 12.23 C ATOM 1731 C ASP A 114 13.284 -16.114 2.653 1.00 33.53 C ATOM 1732 O ASP A 114 12.579 -16.002 1.633 1.00 32.33 O ATOM 1733 CB ASP A 114 11.609 -15.216 4.274 1.00 14.23 C ATOM 1734 CG ASP A 114 11.125 -16.594 4.688 1.00 25.32 C ATOM 1735 OD1 ASP A 114 11.451 -17.042 5.805 1.00 45.23 O ATOM 1736 OD2 ASP A 114 10.392 -17.253 3.911 1.00 1.04 O ATOM 0 H ASP A 114 12.820 -13.168 3.449 1.00 63.43 H new ATOM 0 HA ASP A 114 13.654 -15.586 4.700 1.00 12.23 H new ATOM 0 HB2 ASP A 114 11.471 -14.522 5.103 1.00 14.23 H new ATOM 0 HB3 ASP A 114 10.997 -14.853 3.448 1.00 14.23 H new ATOM 1741 N GLY A 115 14.282 -16.950 2.748 1.00 70.12 N ATOM 1742 CA GLY A 115 14.634 -17.810 1.661 1.00 23.22 C ATOM 1743 C GLY A 115 15.994 -17.452 1.107 1.00 71.42 C ATOM 1744 O GLY A 115 16.456 -18.054 0.134 1.00 22.30 O ATOM 0 H GLY A 115 14.868 -17.051 3.577 1.00 70.12 H new ATOM 0 HA2 GLY A 115 14.636 -18.847 1.998 1.00 23.22 H new ATOM 0 HA3 GLY A 115 13.884 -17.732 0.873 1.00 23.22 H new ATOM 1748 N SER A 116 16.617 -16.465 1.707 1.00 33.12 N ATOM 1749 CA SER A 116 17.925 -16.019 1.325 1.00 3.31 C ATOM 1750 C SER A 116 18.735 -15.681 2.571 1.00 4.43 C ATOM 1751 O SER A 116 18.520 -14.642 3.208 1.00 22.00 O ATOM 1752 CB SER A 116 17.822 -14.793 0.417 1.00 52.41 C ATOM 1753 OG SER A 116 17.095 -15.090 -0.771 1.00 42.24 O ATOM 0 H SER A 116 16.217 -15.944 2.487 1.00 33.12 H new ATOM 0 HA SER A 116 18.427 -16.816 0.776 1.00 3.31 H new ATOM 0 HB2 SER A 116 17.331 -13.981 0.953 1.00 52.41 H new ATOM 0 HB3 SER A 116 18.822 -14.445 0.157 1.00 52.41 H new ATOM 0 HG SER A 116 17.043 -14.288 -1.332 1.00 42.24 H new ATOM 1759 N ARG A 117 19.644 -16.568 2.929 1.00 20.32 N ATOM 1760 CA ARG A 117 20.492 -16.372 4.103 1.00 70.30 C ATOM 1761 C ARG A 117 21.529 -15.293 3.852 1.00 22.31 C ATOM 1762 O ARG A 117 22.127 -14.752 4.794 1.00 41.24 O ATOM 1763 CB ARG A 117 21.180 -17.664 4.507 1.00 51.15 C ATOM 1764 CG ARG A 117 22.006 -18.302 3.411 1.00 44.32 C ATOM 1765 CD ARG A 117 22.821 -19.438 3.958 1.00 12.31 C ATOM 1766 NE ARG A 117 21.997 -20.453 4.647 1.00 15.20 N ATOM 1767 CZ ARG A 117 22.433 -21.204 5.684 1.00 62.03 C ATOM 1768 NH1 ARG A 117 23.704 -21.128 6.064 1.00 15.50 N ATOM 1769 NH2 ARG A 117 21.602 -22.038 6.314 1.00 13.35 N ATOM 0 H ARG A 117 19.819 -17.437 2.425 1.00 20.32 H new ATOM 0 HA ARG A 117 19.845 -16.053 4.920 1.00 70.30 H new ATOM 0 HB2 ARG A 117 21.825 -17.465 5.363 1.00 51.15 H new ATOM 0 HB3 ARG A 117 20.424 -18.376 4.837 1.00 51.15 H new ATOM 0 HG2 ARG A 117 21.351 -18.665 2.619 1.00 44.32 H new ATOM 0 HG3 ARG A 117 22.664 -17.557 2.964 1.00 44.32 H new ATOM 0 HD2 ARG A 117 23.368 -19.912 3.143 1.00 12.31 H new ATOM 0 HD3 ARG A 117 23.563 -19.045 4.654 1.00 12.31 H new ATOM 0 HE ARG A 117 21.041 -20.596 4.321 1.00 15.20 H new ATOM 0 HH11 ARG A 117 24.346 -20.505 5.574 1.00 15.50 H new ATOM 0 HH12 ARG A 117 24.037 -21.692 6.845 1.00 15.50 H new ATOM 0 HH21 ARG A 117 20.630 -22.112 6.014 1.00 13.35 H new ATOM 0 HH22 ARG A 117 21.939 -22.601 7.095 1.00 13.35 H new ATOM 1783 N ASP A 118 21.737 -15.002 2.588 1.00 72.51 N ATOM 1784 CA ASP A 118 22.661 -13.986 2.163 1.00 51.22 C ATOM 1785 C ASP A 118 22.071 -12.617 2.425 1.00 12.30 C ATOM 1786 O ASP A 118 20.844 -12.440 2.430 1.00 74.01 O ATOM 1787 CB ASP A 118 23.021 -14.151 0.669 1.00 73.30 C ATOM 1788 CG ASP A 118 21.877 -13.901 -0.305 1.00 31.11 C ATOM 1789 OD1 ASP A 118 20.879 -14.656 -0.295 1.00 63.03 O ATOM 1790 OD2 ASP A 118 22.008 -13.004 -1.163 1.00 23.51 O ATOM 0 H ASP A 118 21.261 -15.473 1.819 1.00 72.51 H new ATOM 0 HA ASP A 118 23.582 -14.091 2.736 1.00 51.22 H new ATOM 0 HB2 ASP A 118 23.836 -13.468 0.430 1.00 73.30 H new ATOM 0 HB3 ASP A 118 23.397 -15.162 0.512 1.00 73.30 H new ATOM 1795 N ALA A 119 22.922 -11.663 2.673 1.00 34.51 N ATOM 1796 CA ALA A 119 22.476 -10.333 2.958 1.00 74.40 C ATOM 1797 C ALA A 119 22.291 -9.587 1.662 1.00 33.00 C ATOM 1798 O ALA A 119 23.220 -9.492 0.848 1.00 62.10 O ATOM 1799 CB ALA A 119 23.478 -9.617 3.853 1.00 4.12 C ATOM 0 H ALA A 119 23.935 -11.785 2.683 1.00 34.51 H new ATOM 0 HA ALA A 119 21.524 -10.374 3.488 1.00 74.40 H new ATOM 0 HB1 ALA A 119 23.124 -8.607 4.060 1.00 4.12 H new ATOM 0 HB2 ALA A 119 23.584 -10.164 4.790 1.00 4.12 H new ATOM 0 HB3 ALA A 119 24.444 -9.567 3.350 1.00 4.12 H new ATOM 1805 N VAL A 120 21.119 -9.074 1.462 1.00 60.30 N ATOM 1806 CA VAL A 120 20.797 -8.354 0.268 1.00 50.50 C ATOM 1807 C VAL A 120 20.916 -6.872 0.552 1.00 35.35 C ATOM 1808 O VAL A 120 20.220 -6.334 1.431 1.00 61.53 O ATOM 1809 CB VAL A 120 19.349 -8.683 -0.213 1.00 73.24 C ATOM 1810 CG1 VAL A 120 19.024 -7.966 -1.516 1.00 45.35 C ATOM 1811 CG2 VAL A 120 19.157 -10.190 -0.367 1.00 45.01 C ATOM 0 H VAL A 120 20.350 -9.143 2.128 1.00 60.30 H new ATOM 0 HA VAL A 120 21.488 -8.648 -0.522 1.00 50.50 H new ATOM 0 HB VAL A 120 18.657 -8.324 0.549 1.00 73.24 H new ATOM 0 HG11 VAL A 120 18.009 -8.215 -1.825 1.00 45.35 H new ATOM 0 HG12 VAL A 120 19.104 -6.889 -1.368 1.00 45.35 H new ATOM 0 HG13 VAL A 120 19.726 -8.280 -2.289 1.00 45.35 H new ATOM 0 HG21 VAL A 120 18.141 -10.395 -0.703 1.00 45.01 H new ATOM 0 HG22 VAL A 120 19.866 -10.574 -1.100 1.00 45.01 H new ATOM 0 HG23 VAL A 120 19.327 -10.678 0.592 1.00 45.01 H new ATOM 1821 N SER A 121 21.808 -6.235 -0.145 1.00 64.31 N ATOM 1822 CA SER A 121 22.026 -4.827 -0.002 1.00 15.14 C ATOM 1823 C SER A 121 21.140 -4.076 -0.985 1.00 64.41 C ATOM 1824 O SER A 121 20.989 -4.515 -2.150 1.00 15.53 O ATOM 1825 CB SER A 121 23.494 -4.521 -0.264 1.00 13.50 C ATOM 1826 OG SER A 121 24.335 -5.378 0.509 1.00 70.45 O ATOM 0 H SER A 121 22.411 -6.682 -0.836 1.00 64.31 H new ATOM 0 HA SER A 121 21.773 -4.509 1.009 1.00 15.14 H new ATOM 0 HB2 SER A 121 23.713 -4.648 -1.324 1.00 13.50 H new ATOM 0 HB3 SER A 121 23.703 -3.480 -0.018 1.00 13.50 H new ATOM 0 HG SER A 121 25.274 -5.167 0.325 1.00 70.45 H new ATOM 1832 N ASN A 122 20.535 -2.986 -0.512 1.00 51.51 N ATOM 1833 CA ASN A 122 19.678 -2.128 -1.316 1.00 2.23 C ATOM 1834 C ASN A 122 18.432 -2.901 -1.730 1.00 54.25 C ATOM 1835 O ASN A 122 18.222 -3.218 -2.902 1.00 24.20 O ATOM 1836 CB ASN A 122 20.434 -1.546 -2.540 1.00 60.44 C ATOM 1837 CG ASN A 122 19.618 -0.549 -3.334 1.00 0.04 C ATOM 1838 OD1 ASN A 122 18.816 0.189 -2.792 1.00 53.25 O ATOM 1839 ND2 ASN A 122 19.806 -0.534 -4.622 1.00 20.31 N ATOM 0 H ASN A 122 20.631 -2.674 0.454 1.00 51.51 H new ATOM 0 HA ASN A 122 19.372 -1.272 -0.714 1.00 2.23 H new ATOM 0 HB2 ASN A 122 21.349 -1.063 -2.196 1.00 60.44 H new ATOM 0 HB3 ASN A 122 20.732 -2.364 -3.196 1.00 60.44 H new ATOM 0 HD21 ASN A 122 19.273 0.109 -5.208 1.00 20.31 H new ATOM 0 HD22 ASN A 122 20.486 -1.165 -5.046 1.00 20.31 H new ATOM 1846 N ALA A 123 17.667 -3.288 -0.740 1.00 33.34 N ATOM 1847 CA ALA A 123 16.446 -4.038 -0.956 1.00 45.44 C ATOM 1848 C ALA A 123 15.241 -3.144 -0.720 1.00 14.30 C ATOM 1849 O ALA A 123 15.373 -2.082 -0.099 1.00 53.20 O ATOM 1850 CB ALA A 123 16.402 -5.251 -0.036 1.00 11.21 C ATOM 0 H ALA A 123 17.870 -3.094 0.241 1.00 33.34 H new ATOM 0 HA ALA A 123 16.423 -4.390 -1.987 1.00 45.44 H new ATOM 0 HB1 ALA A 123 15.480 -5.805 -0.209 1.00 11.21 H new ATOM 0 HB2 ALA A 123 17.257 -5.895 -0.242 1.00 11.21 H new ATOM 0 HB3 ALA A 123 16.438 -4.922 1.002 1.00 11.21 H new ATOM 1856 N ARG A 124 14.076 -3.544 -1.214 1.00 4.05 N ATOM 1857 CA ARG A 124 12.887 -2.733 -1.015 1.00 61.55 C ATOM 1858 C ARG A 124 12.317 -2.951 0.388 1.00 20.10 C ATOM 1859 O ARG A 124 12.113 -4.102 0.811 1.00 11.22 O ATOM 1860 CB ARG A 124 11.793 -2.914 -2.116 1.00 55.01 C ATOM 1861 CG ARG A 124 11.003 -4.236 -2.140 1.00 43.42 C ATOM 1862 CD ARG A 124 11.827 -5.433 -2.578 1.00 21.13 C ATOM 1863 NE ARG A 124 11.001 -6.640 -2.689 1.00 15.22 N ATOM 1864 CZ ARG A 124 11.369 -7.793 -3.263 1.00 71.15 C ATOM 1865 NH1 ARG A 124 12.581 -7.934 -3.793 1.00 61.43 N ATOM 1866 NH2 ARG A 124 10.515 -8.802 -3.312 1.00 74.55 N ATOM 0 H ARG A 124 13.932 -4.404 -1.743 1.00 4.05 H new ATOM 0 HA ARG A 124 13.210 -1.696 -1.111 1.00 61.55 H new ATOM 0 HB2 ARG A 124 11.077 -2.099 -2.012 1.00 55.01 H new ATOM 0 HB3 ARG A 124 12.274 -2.794 -3.087 1.00 55.01 H new ATOM 0 HG2 ARG A 124 10.602 -4.427 -1.145 1.00 43.42 H new ATOM 0 HG3 ARG A 124 10.151 -4.128 -2.811 1.00 43.42 H new ATOM 0 HD2 ARG A 124 12.296 -5.222 -3.539 1.00 21.13 H new ATOM 0 HD3 ARG A 124 12.631 -5.605 -1.862 1.00 21.13 H new ATOM 0 HE ARG A 124 10.062 -6.598 -2.293 1.00 15.22 H new ATOM 0 HH11 ARG A 124 13.243 -7.159 -3.765 1.00 61.43 H new ATOM 0 HH12 ARG A 124 12.848 -8.818 -4.227 1.00 61.43 H new ATOM 0 HH21 ARG A 124 9.581 -8.700 -2.914 1.00 74.55 H new ATOM 0 HH22 ARG A 124 10.790 -9.682 -3.748 1.00 74.55 H new ATOM 1880 N PRO A 125 12.081 -1.851 1.138 1.00 22.03 N ATOM 1881 CA PRO A 125 11.565 -1.889 2.520 1.00 61.12 C ATOM 1882 C PRO A 125 10.273 -2.715 2.712 1.00 72.44 C ATOM 1883 O PRO A 125 9.983 -3.154 3.826 1.00 11.41 O ATOM 1884 CB PRO A 125 11.304 -0.421 2.847 1.00 51.34 C ATOM 1885 CG PRO A 125 12.248 0.333 1.988 1.00 73.22 C ATOM 1886 CD PRO A 125 12.357 -0.448 0.713 1.00 45.30 C ATOM 0 HA PRO A 125 12.283 -2.384 3.174 1.00 61.12 H new ATOM 0 HB2 PRO A 125 10.271 -0.146 2.635 1.00 51.34 H new ATOM 0 HB3 PRO A 125 11.479 -0.214 3.903 1.00 51.34 H new ATOM 0 HG2 PRO A 125 11.882 1.342 1.798 1.00 73.22 H new ATOM 0 HG3 PRO A 125 13.221 0.432 2.470 1.00 73.22 H new ATOM 0 HD2 PRO A 125 11.637 -0.105 -0.030 1.00 45.30 H new ATOM 0 HD3 PRO A 125 13.347 -0.351 0.267 1.00 45.30 H new ATOM 1894 N VAL A 126 9.503 -2.938 1.643 1.00 73.11 N ATOM 1895 CA VAL A 126 8.282 -3.743 1.768 1.00 2.50 C ATOM 1896 C VAL A 126 8.628 -5.174 2.167 1.00 45.41 C ATOM 1897 O VAL A 126 7.968 -5.771 3.016 1.00 55.40 O ATOM 1898 CB VAL A 126 7.426 -3.801 0.484 1.00 32.10 C ATOM 1899 CG1 VAL A 126 6.109 -4.485 0.786 1.00 55.05 C ATOM 1900 CG2 VAL A 126 7.161 -2.438 -0.065 1.00 4.42 C ATOM 0 H VAL A 126 9.694 -2.584 0.706 1.00 73.11 H new ATOM 0 HA VAL A 126 7.691 -3.243 2.535 1.00 2.50 H new ATOM 0 HB VAL A 126 7.983 -4.364 -0.265 1.00 32.10 H new ATOM 0 HG11 VAL A 126 5.504 -4.526 -0.120 1.00 55.05 H new ATOM 0 HG12 VAL A 126 6.298 -5.498 1.142 1.00 55.05 H new ATOM 0 HG13 VAL A 126 5.575 -3.924 1.553 1.00 55.05 H new ATOM 0 HG21 VAL A 126 6.556 -2.521 -0.968 1.00 4.42 H new ATOM 0 HG22 VAL A 126 6.627 -1.845 0.677 1.00 4.42 H new ATOM 0 HG23 VAL A 126 8.107 -1.952 -0.305 1.00 4.42 H new ATOM 1910 N ASP A 127 9.700 -5.705 1.593 1.00 52.02 N ATOM 1911 CA ASP A 127 10.088 -7.078 1.893 1.00 33.54 C ATOM 1912 C ASP A 127 10.592 -7.132 3.314 1.00 34.43 C ATOM 1913 O ASP A 127 10.339 -8.076 4.040 1.00 43.04 O ATOM 1914 CB ASP A 127 11.163 -7.581 0.930 1.00 45.44 C ATOM 1915 CG ASP A 127 11.394 -9.076 1.059 1.00 5.32 C ATOM 1916 OD1 ASP A 127 12.148 -9.509 1.926 1.00 63.41 O ATOM 1917 OD2 ASP A 127 10.794 -9.846 0.262 1.00 50.53 O ATOM 0 H ASP A 127 10.305 -5.219 0.931 1.00 52.02 H new ATOM 0 HA ASP A 127 9.220 -7.727 1.774 1.00 33.54 H new ATOM 0 HB2 ASP A 127 10.870 -7.347 -0.093 1.00 45.44 H new ATOM 0 HB3 ASP A 127 12.097 -7.053 1.122 1.00 45.44 H new ATOM 1922 N ALA A 128 11.229 -6.044 3.722 1.00 42.23 N ATOM 1923 CA ALA A 128 11.758 -5.899 5.055 1.00 0.23 C ATOM 1924 C ALA A 128 10.648 -5.986 6.100 1.00 53.41 C ATOM 1925 O ALA A 128 10.728 -6.783 7.015 1.00 55.33 O ATOM 1926 CB ALA A 128 12.516 -4.585 5.185 1.00 11.01 C ATOM 0 H ALA A 128 11.391 -5.233 3.125 1.00 42.23 H new ATOM 0 HA ALA A 128 12.452 -6.720 5.235 1.00 0.23 H new ATOM 0 HB1 ALA A 128 12.909 -4.490 6.197 1.00 11.01 H new ATOM 0 HB2 ALA A 128 13.341 -4.569 4.472 1.00 11.01 H new ATOM 0 HB3 ALA A 128 11.842 -3.754 4.979 1.00 11.01 H new ATOM 1932 N LEU A 129 9.591 -5.200 5.933 1.00 21.32 N ATOM 1933 CA LEU A 129 8.476 -5.198 6.894 1.00 70.13 C ATOM 1934 C LEU A 129 7.772 -6.552 6.909 1.00 31.12 C ATOM 1935 O LEU A 129 7.331 -7.027 7.959 1.00 54.52 O ATOM 1936 CB LEU A 129 7.500 -4.032 6.601 1.00 43.43 C ATOM 1937 CG LEU A 129 6.727 -4.083 5.277 1.00 55.52 C ATOM 1938 CD1 LEU A 129 5.435 -4.871 5.418 1.00 71.35 C ATOM 1939 CD2 LEU A 129 6.466 -2.697 4.733 1.00 1.11 C ATOM 0 H LEU A 129 9.475 -4.557 5.149 1.00 21.32 H new ATOM 0 HA LEU A 129 8.877 -5.035 7.894 1.00 70.13 H new ATOM 0 HB2 LEU A 129 6.775 -3.985 7.414 1.00 43.43 H new ATOM 0 HB3 LEU A 129 8.067 -3.102 6.626 1.00 43.43 H new ATOM 0 HG LEU A 129 7.355 -4.606 4.555 1.00 55.52 H new ATOM 0 HD11 LEU A 129 4.912 -4.887 4.462 1.00 71.35 H new ATOM 0 HD12 LEU A 129 5.663 -5.892 5.724 1.00 71.35 H new ATOM 0 HD13 LEU A 129 4.802 -4.400 6.170 1.00 71.35 H new ATOM 0 HD21 LEU A 129 5.917 -2.772 3.795 1.00 1.11 H new ATOM 0 HD22 LEU A 129 5.878 -2.128 5.453 1.00 1.11 H new ATOM 0 HD23 LEU A 129 7.415 -2.190 4.558 1.00 1.11 H new ATOM 1951 N HIS A 130 7.731 -7.181 5.749 1.00 74.42 N ATOM 1952 CA HIS A 130 7.114 -8.479 5.560 1.00 64.41 C ATOM 1953 C HIS A 130 7.939 -9.526 6.314 1.00 75.22 C ATOM 1954 O HIS A 130 7.402 -10.440 6.936 1.00 3.44 O ATOM 1955 CB HIS A 130 7.084 -8.778 4.043 1.00 72.42 C ATOM 1956 CG HIS A 130 6.339 -10.013 3.607 1.00 41.15 C ATOM 1957 ND1 HIS A 130 6.621 -11.325 3.794 1.00 13.43 N flip ATOM 1958 CD2 HIS A 130 5.223 -9.981 2.800 1.00 72.45 C flip ATOM 1959 CE1 HIS A 130 5.693 -12.097 3.099 1.00 22.31 C flip ATOM 1960 NE2 HIS A 130 4.879 -11.233 2.520 1.00 33.14 N flip ATOM 0 H HIS A 130 8.134 -6.795 4.895 1.00 74.42 H new ATOM 0 HA HIS A 130 6.095 -8.499 5.946 1.00 64.41 H new ATOM 0 HB2 HIS A 130 6.643 -7.919 3.536 1.00 72.42 H new ATOM 0 HB3 HIS A 130 8.113 -8.861 3.693 1.00 72.42 H new ATOM 0 HD2 HIS A 130 4.716 -9.092 2.455 1.00 72.45 H new ATOM 0 HE1 HIS A 130 5.648 -13.175 3.045 1.00 22.31 H new ATOM 0 HE2 HIS A 130 4.087 -11.494 1.933 1.00 33.14 H new ATOM 1968 N ALA A 131 9.238 -9.327 6.301 1.00 13.22 N ATOM 1969 CA ALA A 131 10.196 -10.237 6.938 1.00 11.44 C ATOM 1970 C ALA A 131 10.473 -9.851 8.396 1.00 20.23 C ATOM 1971 O ALA A 131 11.388 -10.382 9.020 1.00 45.40 O ATOM 1972 CB ALA A 131 11.494 -10.259 6.154 1.00 1.31 C ATOM 0 H ALA A 131 9.675 -8.525 5.847 1.00 13.22 H new ATOM 0 HA ALA A 131 9.751 -11.232 6.939 1.00 11.44 H new ATOM 0 HB1 ALA A 131 12.198 -10.938 6.635 1.00 1.31 H new ATOM 0 HB2 ALA A 131 11.299 -10.600 5.137 1.00 1.31 H new ATOM 0 HB3 ALA A 131 11.919 -9.256 6.125 1.00 1.31 H new ATOM 1978 N HIS A 132 9.690 -8.912 8.914 1.00 10.23 N ATOM 1979 CA HIS A 132 9.773 -8.426 10.310 1.00 11.31 C ATOM 1980 C HIS A 132 11.101 -7.650 10.564 1.00 73.40 C ATOM 1981 O HIS A 132 11.573 -7.490 11.680 1.00 72.43 O ATOM 1982 CB HIS A 132 9.558 -9.591 11.321 1.00 50.14 C ATOM 1983 CG HIS A 132 9.268 -9.144 12.730 1.00 42.34 C ATOM 1984 ND1 HIS A 132 9.938 -9.597 13.843 1.00 61.53 N ATOM 1985 CD2 HIS A 132 8.321 -8.290 13.186 1.00 35.11 C ATOM 1986 CE1 HIS A 132 9.392 -9.021 14.917 1.00 34.14 C ATOM 1987 NE2 HIS A 132 8.401 -8.213 14.570 1.00 73.15 N ATOM 0 H HIS A 132 8.959 -8.449 8.373 1.00 10.23 H new ATOM 0 HA HIS A 132 8.964 -7.714 10.471 1.00 11.31 H new ATOM 0 HB2 HIS A 132 8.733 -10.211 10.972 1.00 50.14 H new ATOM 0 HB3 HIS A 132 10.449 -10.220 11.328 1.00 50.14 H new ATOM 0 HD2 HIS A 132 7.615 -7.753 12.570 1.00 35.11 H new ATOM 0 HE1 HIS A 132 9.715 -9.191 15.933 1.00 34.14 H new ATOM 0 HE2 HIS A 132 7.818 -7.651 15.191 1.00 73.15 H new ATOM 1995 N GLN A 133 11.607 -7.071 9.504 1.00 5.54 N ATOM 1996 CA GLN A 133 12.773 -6.181 9.519 1.00 14.34 C ATOM 1997 C GLN A 133 12.218 -4.749 9.555 1.00 44.14 C ATOM 1998 O GLN A 133 12.868 -3.783 9.178 1.00 1.54 O ATOM 1999 CB GLN A 133 13.614 -6.367 8.248 1.00 34.23 C ATOM 2000 CG GLN A 133 14.172 -7.771 8.005 1.00 1.11 C ATOM 2001 CD GLN A 133 15.134 -8.239 9.080 1.00 3.24 C ATOM 2002 OE1 GLN A 133 15.806 -7.432 9.739 1.00 32.31 O ATOM 2003 NE2 GLN A 133 15.263 -9.527 9.220 1.00 70.24 N ATOM 0 H GLN A 133 11.217 -7.201 8.571 1.00 5.54 H new ATOM 0 HA GLN A 133 13.412 -6.396 10.375 1.00 14.34 H new ATOM 0 HB2 GLN A 133 13.003 -6.088 7.389 1.00 34.23 H new ATOM 0 HB3 GLN A 133 14.450 -5.668 8.285 1.00 34.23 H new ATOM 0 HG2 GLN A 133 13.343 -8.476 7.940 1.00 1.11 H new ATOM 0 HG3 GLN A 133 14.681 -7.788 7.041 1.00 1.11 H new ATOM 0 HE21 GLN A 133 14.692 -10.161 8.660 1.00 70.24 H new ATOM 0 HE22 GLN A 133 15.935 -9.902 9.890 1.00 70.24 H new ATOM 2012 N ALA A 134 10.997 -4.675 10.048 1.00 53.43 N ATOM 2013 CA ALA A 134 10.141 -3.496 10.108 1.00 21.05 C ATOM 2014 C ALA A 134 10.784 -2.276 10.758 1.00 11.42 C ATOM 2015 O ALA A 134 10.396 -1.163 10.452 1.00 5.42 O ATOM 2016 CB ALA A 134 8.830 -3.837 10.802 1.00 72.35 C ATOM 0 H ALA A 134 10.540 -5.495 10.447 1.00 53.43 H new ATOM 0 HA ALA A 134 9.959 -3.210 9.072 1.00 21.05 H new ATOM 0 HB1 ALA A 134 8.198 -2.950 10.842 1.00 72.35 H new ATOM 0 HB2 ALA A 134 8.318 -4.623 10.247 1.00 72.35 H new ATOM 0 HB3 ALA A 134 9.034 -4.183 11.815 1.00 72.35 H new ATOM 2022 N ARG A 135 11.746 -2.489 11.653 1.00 34.32 N ATOM 2023 CA ARG A 135 12.343 -1.386 12.430 1.00 51.12 C ATOM 2024 C ARG A 135 12.905 -0.288 11.502 1.00 72.22 C ATOM 2025 O ARG A 135 12.588 0.887 11.675 1.00 52.32 O ATOM 2026 CB ARG A 135 13.448 -1.870 13.410 1.00 51.24 C ATOM 2027 CG ARG A 135 13.013 -2.869 14.505 1.00 25.01 C ATOM 2028 CD ARG A 135 12.771 -4.276 13.965 1.00 10.25 C ATOM 2029 NE ARG A 135 12.382 -5.225 15.014 1.00 63.21 N ATOM 2030 CZ ARG A 135 12.713 -6.532 15.032 1.00 33.13 C ATOM 2031 NH1 ARG A 135 13.492 -7.050 14.080 1.00 73.02 N ATOM 2032 NH2 ARG A 135 12.271 -7.307 16.005 1.00 74.42 N ATOM 0 H ARG A 135 12.133 -3.409 11.863 1.00 34.32 H new ATOM 0 HA ARG A 135 11.535 -0.967 13.029 1.00 51.12 H new ATOM 0 HB2 ARG A 135 14.244 -2.331 12.825 1.00 51.24 H new ATOM 0 HB3 ARG A 135 13.877 -0.995 13.898 1.00 51.24 H new ATOM 0 HG2 ARG A 135 13.780 -2.909 15.278 1.00 25.01 H new ATOM 0 HG3 ARG A 135 12.101 -2.506 14.979 1.00 25.01 H new ATOM 0 HD2 ARG A 135 11.990 -4.240 13.205 1.00 10.25 H new ATOM 0 HD3 ARG A 135 13.676 -4.633 13.475 1.00 10.25 H new ATOM 0 HE ARG A 135 11.819 -4.870 15.787 1.00 63.21 H new ATOM 0 HH11 ARG A 135 13.843 -6.456 13.329 1.00 73.02 H new ATOM 0 HH12 ARG A 135 13.736 -8.040 14.103 1.00 73.02 H new ATOM 0 HH21 ARG A 135 11.681 -6.917 16.740 1.00 74.42 H new ATOM 0 HH22 ARG A 135 12.519 -8.296 16.022 1.00 74.42 H new ATOM 2046 N GLU A 136 13.667 -0.686 10.482 1.00 10.43 N ATOM 2047 CA GLU A 136 14.190 0.273 9.493 1.00 30.24 C ATOM 2048 C GLU A 136 13.081 0.896 8.653 1.00 70.32 C ATOM 2049 O GLU A 136 13.162 2.061 8.274 1.00 73.34 O ATOM 2050 CB GLU A 136 15.236 -0.373 8.584 1.00 33.44 C ATOM 2051 CG GLU A 136 16.651 -0.311 9.124 1.00 31.22 C ATOM 2052 CD GLU A 136 17.174 1.113 9.151 1.00 0.45 C ATOM 2053 OE1 GLU A 136 17.744 1.574 8.132 1.00 24.55 O ATOM 2054 OE2 GLU A 136 17.014 1.801 10.172 1.00 22.31 O ATOM 0 H GLU A 136 13.937 -1.655 10.315 1.00 10.43 H new ATOM 0 HA GLU A 136 14.668 1.070 10.062 1.00 30.24 H new ATOM 0 HB2 GLU A 136 14.966 -1.417 8.422 1.00 33.44 H new ATOM 0 HB3 GLU A 136 15.208 0.118 7.611 1.00 33.44 H new ATOM 0 HG2 GLU A 136 16.676 -0.728 10.131 1.00 31.22 H new ATOM 0 HG3 GLU A 136 17.304 -0.928 8.507 1.00 31.22 H new ATOM 2061 N VAL A 137 12.036 0.134 8.407 1.00 62.42 N ATOM 2062 CA VAL A 137 10.929 0.591 7.580 1.00 53.22 C ATOM 2063 C VAL A 137 10.156 1.689 8.298 1.00 43.11 C ATOM 2064 O VAL A 137 9.921 2.764 7.739 1.00 61.44 O ATOM 2065 CB VAL A 137 9.969 -0.572 7.237 1.00 10.11 C ATOM 2066 CG1 VAL A 137 8.862 -0.109 6.297 1.00 51.40 C ATOM 2067 CG2 VAL A 137 10.739 -1.733 6.638 1.00 45.33 C ATOM 0 H VAL A 137 11.926 -0.813 8.769 1.00 62.42 H new ATOM 0 HA VAL A 137 11.346 0.982 6.652 1.00 53.22 H new ATOM 0 HB VAL A 137 9.499 -0.911 8.160 1.00 10.11 H new ATOM 0 HG11 VAL A 137 8.202 -0.946 6.072 1.00 51.40 H new ATOM 0 HG12 VAL A 137 8.290 0.687 6.773 1.00 51.40 H new ATOM 0 HG13 VAL A 137 9.302 0.264 5.372 1.00 51.40 H new ATOM 0 HG21 VAL A 137 10.050 -2.544 6.402 1.00 45.33 H new ATOM 0 HG22 VAL A 137 11.240 -1.406 5.727 1.00 45.33 H new ATOM 0 HG23 VAL A 137 11.482 -2.085 7.354 1.00 45.33 H new ATOM 2077 N VAL A 138 9.811 1.430 9.548 1.00 53.55 N ATOM 2078 CA VAL A 138 9.082 2.384 10.362 1.00 22.24 C ATOM 2079 C VAL A 138 9.932 3.629 10.574 1.00 63.20 C ATOM 2080 O VAL A 138 9.446 4.747 10.455 1.00 41.34 O ATOM 2081 CB VAL A 138 8.655 1.784 11.734 1.00 75.41 C ATOM 2082 CG1 VAL A 138 7.867 2.801 12.546 1.00 52.14 C ATOM 2083 CG2 VAL A 138 7.828 0.519 11.538 1.00 43.43 C ATOM 0 H VAL A 138 10.028 0.555 10.025 1.00 53.55 H new ATOM 0 HA VAL A 138 8.168 2.646 9.829 1.00 22.24 H new ATOM 0 HB VAL A 138 9.561 1.526 12.282 1.00 75.41 H new ATOM 0 HG11 VAL A 138 7.579 2.360 13.500 1.00 52.14 H new ATOM 0 HG12 VAL A 138 8.485 3.681 12.724 1.00 52.14 H new ATOM 0 HG13 VAL A 138 6.972 3.091 11.996 1.00 52.14 H new ATOM 0 HG21 VAL A 138 7.541 0.118 12.510 1.00 43.43 H new ATOM 0 HG22 VAL A 138 6.932 0.755 10.964 1.00 43.43 H new ATOM 0 HG23 VAL A 138 8.419 -0.222 10.999 1.00 43.43 H new ATOM 2093 N ARG A 139 11.213 3.416 10.839 1.00 45.20 N ATOM 2094 CA ARG A 139 12.168 4.502 11.030 1.00 53.52 C ATOM 2095 C ARG A 139 12.241 5.392 9.792 1.00 22.51 C ATOM 2096 O ARG A 139 12.175 6.620 9.903 1.00 63.43 O ATOM 2097 CB ARG A 139 13.555 3.938 11.333 1.00 54.41 C ATOM 2098 CG ARG A 139 14.651 4.985 11.433 1.00 72.40 C ATOM 2099 CD ARG A 139 16.000 4.331 11.584 1.00 74.55 C ATOM 2100 NE ARG A 139 17.088 5.299 11.578 1.00 35.14 N ATOM 2101 CZ ARG A 139 18.334 5.048 11.179 1.00 70.42 C ATOM 2102 NH1 ARG A 139 18.648 3.869 10.645 1.00 55.45 N ATOM 2103 NH2 ARG A 139 19.258 5.997 11.278 1.00 31.12 N ATOM 0 H ARG A 139 11.621 2.486 10.928 1.00 45.20 H new ATOM 0 HA ARG A 139 11.827 5.103 11.873 1.00 53.52 H new ATOM 0 HB2 ARG A 139 13.512 3.385 12.271 1.00 54.41 H new ATOM 0 HB3 ARG A 139 13.822 3.224 10.554 1.00 54.41 H new ATOM 0 HG2 ARG A 139 14.643 5.613 10.542 1.00 72.40 H new ATOM 0 HG3 ARG A 139 14.460 5.638 12.285 1.00 72.40 H new ATOM 0 HD2 ARG A 139 16.025 3.766 12.516 1.00 74.55 H new ATOM 0 HD3 ARG A 139 16.148 3.617 10.774 1.00 74.55 H new ATOM 0 HE ARG A 139 16.880 6.243 11.905 1.00 35.14 H new ATOM 0 HH11 ARG A 139 17.932 3.150 10.539 1.00 55.45 H new ATOM 0 HH12 ARG A 139 19.604 3.685 10.342 1.00 55.45 H new ATOM 0 HH21 ARG A 139 19.012 6.911 11.658 1.00 31.12 H new ATOM 0 HH22 ARG A 139 20.214 5.812 10.974 1.00 31.12 H new ATOM 2117 N ARG A 140 12.348 4.768 8.618 1.00 1.30 N ATOM 2118 CA ARG A 140 12.458 5.503 7.366 1.00 13.24 C ATOM 2119 C ARG A 140 11.158 6.288 7.134 1.00 42.01 C ATOM 2120 O ARG A 140 11.177 7.436 6.697 1.00 12.54 O ATOM 2121 CB ARG A 140 12.714 4.547 6.184 1.00 43.41 C ATOM 2122 CG ARG A 140 13.328 5.228 4.963 1.00 52.11 C ATOM 2123 CD ARG A 140 14.823 5.526 5.180 1.00 50.10 C ATOM 2124 NE ARG A 140 15.669 4.311 5.020 1.00 25.30 N ATOM 2125 CZ ARG A 140 16.269 3.595 6.001 1.00 12.20 C ATOM 2126 NH1 ARG A 140 16.125 3.915 7.278 1.00 23.10 N ATOM 2127 NH2 ARG A 140 17.045 2.570 5.690 1.00 13.35 N ATOM 0 H ARG A 140 12.360 3.754 8.512 1.00 1.30 H new ATOM 0 HA ARG A 140 13.303 6.189 7.431 1.00 13.24 H new ATOM 0 HB2 ARG A 140 13.376 3.746 6.513 1.00 43.41 H new ATOM 0 HB3 ARG A 140 11.772 4.082 5.894 1.00 43.41 H new ATOM 0 HG2 ARG A 140 13.206 4.589 4.088 1.00 52.11 H new ATOM 0 HG3 ARG A 140 12.796 6.157 4.756 1.00 52.11 H new ATOM 0 HD2 ARG A 140 15.146 6.288 4.470 1.00 50.10 H new ATOM 0 HD3 ARG A 140 14.968 5.938 6.178 1.00 50.10 H new ATOM 0 HE ARG A 140 15.813 3.981 4.066 1.00 25.30 H new ATOM 0 HH11 ARG A 140 15.552 4.717 7.541 1.00 23.10 H new ATOM 0 HH12 ARG A 140 16.587 3.360 7.998 1.00 23.10 H new ATOM 0 HH21 ARG A 140 17.191 2.319 4.712 1.00 13.35 H new ATOM 0 HH22 ARG A 140 17.497 2.030 6.428 1.00 13.35 H new ATOM 2141 N ALA A 141 10.041 5.667 7.486 1.00 4.01 N ATOM 2142 CA ALA A 141 8.732 6.286 7.369 1.00 11.41 C ATOM 2143 C ALA A 141 8.632 7.500 8.292 1.00 25.24 C ATOM 2144 O ALA A 141 8.191 8.564 7.874 1.00 24.32 O ATOM 2145 CB ALA A 141 7.658 5.280 7.723 1.00 32.12 C ATOM 0 H ALA A 141 10.019 4.719 7.861 1.00 4.01 H new ATOM 0 HA ALA A 141 8.591 6.618 6.340 1.00 11.41 H new ATOM 0 HB1 ALA A 141 6.678 5.748 7.634 1.00 32.12 H new ATOM 0 HB2 ALA A 141 7.717 4.430 7.043 1.00 32.12 H new ATOM 0 HB3 ALA A 141 7.805 4.937 8.747 1.00 32.12 H new ATOM 2151 N GLN A 142 9.063 7.333 9.541 1.00 35.00 N ATOM 2152 CA GLN A 142 9.067 8.421 10.524 1.00 51.22 C ATOM 2153 C GLN A 142 9.978 9.559 10.085 1.00 54.01 C ATOM 2154 O GLN A 142 9.674 10.732 10.305 1.00 11.53 O ATOM 2155 CB GLN A 142 9.476 7.913 11.911 1.00 14.41 C ATOM 2156 CG GLN A 142 8.476 6.941 12.526 1.00 63.32 C ATOM 2157 CD GLN A 142 8.923 6.378 13.863 1.00 62.44 C ATOM 2158 OE1 GLN A 142 10.113 6.212 14.118 1.00 35.31 O ATOM 2159 NE2 GLN A 142 7.977 6.099 14.729 1.00 4.42 N ATOM 0 H GLN A 142 9.418 6.447 9.901 1.00 35.00 H new ATOM 0 HA GLN A 142 8.049 8.806 10.587 1.00 51.22 H new ATOM 0 HB2 GLN A 142 10.447 7.423 11.837 1.00 14.41 H new ATOM 0 HB3 GLN A 142 9.599 8.766 12.579 1.00 14.41 H new ATOM 0 HG2 GLN A 142 7.520 7.449 12.656 1.00 63.32 H new ATOM 0 HG3 GLN A 142 8.308 6.118 11.832 1.00 63.32 H new ATOM 0 HE21 GLN A 142 6.999 6.250 14.482 1.00 4.42 H new ATOM 0 HE22 GLN A 142 8.220 5.731 15.649 1.00 4.42 H new ATOM 2168 N ALA A 143 11.084 9.214 9.463 1.00 72.31 N ATOM 2169 CA ALA A 143 12.021 10.202 8.962 1.00 33.42 C ATOM 2170 C ALA A 143 11.402 10.994 7.809 1.00 3.34 C ATOM 2171 O ALA A 143 11.517 12.223 7.742 1.00 51.11 O ATOM 2172 CB ALA A 143 13.316 9.533 8.531 1.00 2.20 C ATOM 0 H ALA A 143 11.360 8.248 9.290 1.00 72.31 H new ATOM 0 HA ALA A 143 12.251 10.902 9.765 1.00 33.42 H new ATOM 0 HB1 ALA A 143 14.008 10.287 8.158 1.00 2.20 H new ATOM 0 HB2 ALA A 143 13.762 9.021 9.384 1.00 2.20 H new ATOM 0 HB3 ALA A 143 13.107 8.810 7.742 1.00 2.20 H new ATOM 2178 N MET A 144 10.711 10.282 6.937 1.00 51.00 N ATOM 2179 CA MET A 144 10.054 10.875 5.784 1.00 12.35 C ATOM 2180 C MET A 144 8.856 11.733 6.203 1.00 33.35 C ATOM 2181 O MET A 144 8.689 12.859 5.727 1.00 45.53 O ATOM 2182 CB MET A 144 9.605 9.768 4.808 1.00 21.13 C ATOM 2183 CG MET A 144 8.809 10.259 3.602 1.00 0.44 C ATOM 2184 SD MET A 144 9.723 11.428 2.581 1.00 34.20 S ATOM 2185 CE MET A 144 8.512 11.767 1.307 1.00 42.32 C ATOM 0 H MET A 144 10.589 9.272 7.008 1.00 51.00 H new ATOM 0 HA MET A 144 10.770 11.527 5.284 1.00 12.35 H new ATOM 0 HB2 MET A 144 10.488 9.238 4.451 1.00 21.13 H new ATOM 0 HB3 MET A 144 8.999 9.045 5.355 1.00 21.13 H new ATOM 0 HG2 MET A 144 8.519 9.403 2.993 1.00 0.44 H new ATOM 0 HG3 MET A 144 7.889 10.730 3.949 1.00 0.44 H new ATOM 0 HE1 MET A 144 8.926 12.478 0.592 1.00 42.32 H new ATOM 0 HE2 MET A 144 8.257 10.841 0.792 1.00 42.32 H new ATOM 0 HE3 MET A 144 7.615 12.189 1.761 1.00 42.32 H new ATOM 2195 N ALA A 145 8.049 11.211 7.102 1.00 21.51 N ATOM 2196 CA ALA A 145 6.841 11.892 7.532 1.00 1.55 C ATOM 2197 C ALA A 145 7.118 13.069 8.452 1.00 22.34 C ATOM 2198 O ALA A 145 6.368 14.040 8.455 1.00 63.53 O ATOM 2199 CB ALA A 145 5.876 10.924 8.190 1.00 25.11 C ATOM 0 H ALA A 145 8.207 10.310 7.554 1.00 21.51 H new ATOM 0 HA ALA A 145 6.382 12.296 6.630 1.00 1.55 H new ATOM 0 HB1 ALA A 145 4.980 11.460 8.503 1.00 25.11 H new ATOM 0 HB2 ALA A 145 5.603 10.143 7.480 1.00 25.11 H new ATOM 0 HB3 ALA A 145 6.351 10.472 9.061 1.00 25.11 H new ATOM 2205 N TYR A 146 8.171 12.995 9.231 1.00 42.41 N ATOM 2206 CA TYR A 146 8.479 14.061 10.154 1.00 71.30 C ATOM 2207 C TYR A 146 9.791 14.717 9.788 1.00 12.43 C ATOM 2208 O TYR A 146 10.834 14.361 10.365 1.00 37.52 O ATOM 2209 CB TYR A 146 8.514 13.549 11.601 1.00 1.13 C ATOM 2210 CG TYR A 146 7.221 12.948 12.067 1.00 3.33 C ATOM 2211 CD1 TYR A 146 6.153 13.754 12.384 1.00 33.35 C ATOM 2212 CD2 TYR A 146 7.071 11.576 12.196 1.00 43.13 C ATOM 2213 CE1 TYR A 146 4.966 13.223 12.811 1.00 34.41 C ATOM 2214 CE2 TYR A 146 5.882 11.034 12.623 1.00 35.52 C ATOM 2215 CZ TYR A 146 4.834 11.866 12.933 1.00 31.23 C ATOM 2216 OH TYR A 146 3.643 11.341 13.352 1.00 52.44 O ATOM 2217 OXT TYR A 146 9.794 15.602 8.915 1.00 37.52 O ATOM 0 H TYR A 146 8.825 12.213 9.245 1.00 42.41 H new ATOM 0 HA TYR A 146 7.687 14.807 10.083 1.00 71.30 H new ATOM 0 HB2 TYR A 146 9.303 12.803 11.693 1.00 1.13 H new ATOM 0 HB3 TYR A 146 8.778 14.375 12.262 1.00 1.13 H new ATOM 0 HD1 TYR A 146 6.253 14.826 12.294 1.00 33.35 H new ATOM 0 HD2 TYR A 146 7.899 10.925 11.958 1.00 43.13 H new ATOM 0 HE1 TYR A 146 4.137 13.872 13.051 1.00 34.41 H new ATOM 0 HE2 TYR A 146 5.773 9.963 12.714 1.00 35.52 H new ATOM 0 HH TYR A 146 2.907 11.776 12.873 1.00 52.44 H new TER 2227 TYR A 146