USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 943 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= 0.0964 K(o=0.29,f=-2.2) USER MOD Set 1.3: A 69 GLN : amide:sc= 0.193 K(o=0.29,f=-1.6!) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.188 X(o=-1.3,f=-1.4) USER MOD Set 2.2: A 68 ASN :FLIP amide:sc= -1.09 F(o=-3.9,f=-1.3) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.48) USER MOD Set 3.2: A 58 GLN : amide:sc= 0 X(o=-0.89,f=-0.5) USER MOD Set 4.1: A 36 GLN : amide:sc= -1.14 K(o=-0.7,f=-1.6) USER MOD Set 4.2: A 39 SER OG : rot 120:sc= 0.442 USER MOD Set 5.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 60 SER OG : rot 140:sc= -0.114 USER MOD Set 5.3: A 62 GLN : amide:sc= 0 K(o=-0.11,f=-1.3!) USER MOD Set 6.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 72 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.8!) USER MOD Single : A 1 ALA N :NH3+ 147:sc= 0.0365 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0714 K(o=-0.071,f=-1) USER MOD Single : A 28 SER OG : rot -32:sc= 0.843 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 33:sc= 0.999 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0524 K(o=-0.052,f=-1.7) USER MOD Single : A 57 GLN : amide:sc= -0.0059 K(o=-0.0059,f=-0.73) USER MOD Single : A 61 GLN : amide:sc= -0.512 K(o=-0.51,f=-2.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.01 F(o=-1.9,f=-1) USER MOD Single : A 83 LYS NZ :NH3+ -126:sc= -0.742 (180deg=-2.15!) USER MOD Single : A 84 TYR OH : rot 30:sc= -0.29 USER MOD Single : A 89 GLN : amide:sc= -0.823 K(o=-0.82,f=-4.4!) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 92 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.71) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.695 F(o=-1.4,f=-0.7) USER MOD Single : A 100 SER OG : rot 180:sc= 0.038 USER MOD Single : A 105 GLN : amide:sc= 0.0238 X(o=0.024,f=-0.16) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 140:sc= -0.0852 USER MOD Single : A 119 MET CE :methyl -158:sc= -0.098 (180deg=-0.496) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 13:sc= 0.15 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.412 4.962 -24.611 1.00 0.00 N ATOM 2 CA ALA A 1 -26.403 5.428 -23.208 1.00 0.00 C ATOM 3 C ALA A 1 -26.867 4.287 -22.330 1.00 0.00 C ATOM 4 O ALA A 1 -27.876 3.682 -22.656 1.00 0.00 O ATOM 5 CB ALA A 1 -27.302 6.655 -23.030 1.00 0.00 C ATOM 0 H1 ALA A 1 -26.652 5.756 -25.239 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.472 4.595 -24.861 1.00 0.00 H new ATOM 0 H3 ALA A 1 -27.119 4.207 -24.722 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.394 5.729 -22.925 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.277 6.977 -21.989 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.945 7.463 -23.668 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.325 6.400 -23.306 1.00 0.00 H new ATOM 13 N GLU A 2 -26.105 3.975 -21.286 1.00 0.00 N ATOM 14 CA GLU A 2 -26.417 2.889 -20.351 1.00 0.00 C ATOM 15 C GLU A 2 -25.694 3.123 -19.018 1.00 0.00 C ATOM 16 O GLU A 2 -24.647 2.564 -18.735 1.00 0.00 O ATOM 17 CB GLU A 2 -26.076 1.519 -20.985 1.00 0.00 C ATOM 18 CG GLU A 2 -27.243 0.537 -20.828 1.00 0.00 C ATOM 19 CD GLU A 2 -26.781 -0.756 -20.162 1.00 0.00 C ATOM 20 OE1 GLU A 2 -25.952 -1.453 -20.787 1.00 0.00 O ATOM 21 OE2 GLU A 2 -27.277 -1.014 -19.041 1.00 0.00 O ATOM 0 H GLU A 2 -25.244 4.472 -21.059 1.00 0.00 H new ATOM 0 HA GLU A 2 -27.486 2.880 -20.140 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -25.846 1.650 -22.042 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -25.184 1.108 -20.513 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -28.032 0.996 -20.232 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -27.670 0.315 -21.806 1.00 0.00 H new ATOM 28 N PHE A 3 -26.169 4.110 -18.268 1.00 0.00 N ATOM 29 CA PHE A 3 -25.613 4.460 -16.966 1.00 0.00 C ATOM 30 C PHE A 3 -25.647 3.270 -15.996 1.00 0.00 C ATOM 31 O PHE A 3 -26.691 2.971 -15.423 1.00 0.00 O ATOM 32 CB PHE A 3 -26.381 5.662 -16.401 1.00 0.00 C ATOM 33 CG PHE A 3 -25.572 6.541 -15.520 1.00 0.00 C ATOM 34 CD1 PHE A 3 -24.578 7.362 -16.086 1.00 0.00 C ATOM 35 CD2 PHE A 3 -25.799 6.559 -14.133 1.00 0.00 C ATOM 36 CE1 PHE A 3 -23.817 8.224 -15.259 1.00 0.00 C ATOM 37 CE2 PHE A 3 -25.041 7.425 -13.307 1.00 0.00 C ATOM 38 CZ PHE A 3 -24.050 8.258 -13.868 1.00 0.00 C ATOM 0 H PHE A 3 -26.957 4.694 -18.548 1.00 0.00 H new ATOM 0 HA PHE A 3 -24.564 4.729 -17.090 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -26.768 6.254 -17.230 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -27.242 5.298 -15.841 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -24.396 7.334 -17.150 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -26.549 5.915 -13.698 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -23.057 8.856 -15.694 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -25.223 7.448 -12.243 1.00 0.00 H new ATOM 0 HZ PHE A 3 -23.473 8.918 -13.236 1.00 0.00 H new ATOM 48 N MET A 4 -24.527 2.566 -15.852 1.00 0.00 N ATOM 49 CA MET A 4 -24.466 1.373 -15.032 1.00 0.00 C ATOM 50 C MET A 4 -23.016 1.055 -14.694 1.00 0.00 C ATOM 51 O MET A 4 -22.255 0.561 -15.519 1.00 0.00 O ATOM 52 CB MET A 4 -25.138 0.186 -15.756 1.00 0.00 C ATOM 53 CG MET A 4 -25.870 -0.688 -14.741 1.00 0.00 C ATOM 54 SD MET A 4 -26.189 -2.360 -15.336 1.00 0.00 S ATOM 55 CE MET A 4 -25.385 -3.308 -14.036 1.00 0.00 C ATOM 0 H MET A 4 -23.644 2.810 -16.300 1.00 0.00 H new ATOM 0 HA MET A 4 -25.009 1.549 -14.103 1.00 0.00 H new ATOM 0 HB2 MET A 4 -25.839 0.554 -16.506 1.00 0.00 H new ATOM 0 HB3 MET A 4 -24.387 -0.403 -16.283 1.00 0.00 H new ATOM 0 HG2 MET A 4 -25.280 -0.742 -13.826 1.00 0.00 H new ATOM 0 HG3 MET A 4 -26.817 -0.215 -14.482 1.00 0.00 H new ATOM 0 HE1 MET A 4 -25.487 -4.373 -14.246 1.00 0.00 H new ATOM 0 HE2 MET A 4 -24.328 -3.046 -13.995 1.00 0.00 H new ATOM 0 HE3 MET A 4 -25.853 -3.081 -13.078 1.00 0.00 H new ATOM 65 N GLU A 5 -22.602 1.400 -13.491 1.00 0.00 N ATOM 66 CA GLU A 5 -21.260 1.130 -13.015 1.00 0.00 C ATOM 67 C GLU A 5 -21.340 0.609 -11.594 1.00 0.00 C ATOM 68 O GLU A 5 -22.239 0.986 -10.853 1.00 0.00 O ATOM 69 CB GLU A 5 -20.407 2.400 -13.119 1.00 0.00 C ATOM 70 CG GLU A 5 -20.818 3.486 -12.099 1.00 0.00 C ATOM 71 CD GLU A 5 -20.095 3.334 -10.742 1.00 0.00 C ATOM 72 OE1 GLU A 5 -18.880 3.039 -10.762 1.00 0.00 O ATOM 73 OE2 GLU A 5 -20.761 3.458 -9.688 1.00 0.00 O ATOM 0 H GLU A 5 -23.192 1.879 -12.811 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.780 0.368 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.359 2.142 -12.965 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.490 2.806 -14.127 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.599 4.470 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.895 3.440 -11.939 1.00 0.00 H new ATOM 80 N SER A 6 -20.430 -0.294 -11.242 1.00 0.00 N ATOM 81 CA SER A 6 -20.302 -0.875 -9.915 1.00 0.00 C ATOM 82 C SER A 6 -19.301 -2.015 -9.939 1.00 0.00 C ATOM 83 O SER A 6 -18.934 -2.543 -10.992 1.00 0.00 O ATOM 84 CB SER A 6 -21.659 -1.399 -9.386 1.00 0.00 C ATOM 85 OG SER A 6 -22.099 -0.634 -8.270 1.00 0.00 O ATOM 0 H SER A 6 -19.737 -0.653 -11.899 1.00 0.00 H new ATOM 0 HA SER A 6 -19.954 -0.088 -9.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.405 -1.354 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.562 -2.446 -9.099 1.00 0.00 H new ATOM 0 HG SER A 6 -22.959 -0.982 -7.954 1.00 0.00 H new ATOM 91 N LYS A 7 -18.857 -2.428 -8.758 1.00 0.00 N ATOM 92 CA LYS A 7 -17.939 -3.545 -8.619 1.00 0.00 C ATOM 93 C LYS A 7 -18.162 -4.240 -7.282 1.00 0.00 C ATOM 94 O LYS A 7 -17.679 -3.775 -6.260 1.00 0.00 O ATOM 95 CB LYS A 7 -16.492 -3.038 -8.780 1.00 0.00 C ATOM 96 CG LYS A 7 -15.577 -4.175 -9.270 1.00 0.00 C ATOM 97 CD LYS A 7 -15.334 -4.091 -10.787 1.00 0.00 C ATOM 98 CE LYS A 7 -15.865 -5.325 -11.530 1.00 0.00 C ATOM 99 NZ LYS A 7 -14.772 -6.268 -11.856 1.00 0.00 N ATOM 0 H LYS A 7 -19.124 -1.997 -7.873 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.123 -4.284 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.466 -2.211 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.127 -2.653 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.623 -4.127 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.028 -5.137 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.816 -3.197 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.266 -3.987 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.612 -5.829 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.365 -5.013 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.162 -7.091 -12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.073 -5.793 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.312 -6.583 -10.978 1.00 0.00 H new ATOM 113 N GLY A 8 -18.908 -5.337 -7.302 1.00 0.00 N ATOM 114 CA GLY A 8 -19.243 -6.082 -6.102 1.00 0.00 C ATOM 115 C GLY A 8 -19.827 -7.427 -6.459 1.00 0.00 C ATOM 116 O GLY A 8 -21.019 -7.528 -6.708 1.00 0.00 O ATOM 0 H GLY A 8 -19.298 -5.734 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -18.351 -6.217 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.957 -5.516 -5.504 1.00 0.00 H new ATOM 120 N GLU A 9 -18.962 -8.431 -6.578 1.00 0.00 N ATOM 121 CA GLU A 9 -19.384 -9.797 -6.887 1.00 0.00 C ATOM 122 C GLU A 9 -18.559 -10.824 -6.120 1.00 0.00 C ATOM 123 O GLU A 9 -19.082 -11.533 -5.269 1.00 0.00 O ATOM 124 CB GLU A 9 -19.295 -10.037 -8.403 1.00 0.00 C ATOM 125 CG GLU A 9 -19.953 -11.377 -8.775 1.00 0.00 C ATOM 126 CD GLU A 9 -20.675 -11.290 -10.124 1.00 0.00 C ATOM 127 OE1 GLU A 9 -21.493 -10.358 -10.289 1.00 0.00 O ATOM 128 OE2 GLU A 9 -20.359 -12.135 -10.991 1.00 0.00 O ATOM 0 H GLU A 9 -17.954 -8.323 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 9 -20.420 -9.918 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.787 -9.223 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.251 -10.038 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.194 -12.158 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.662 -11.664 -7.999 1.00 0.00 H new ATOM 135 N ARG A 10 -17.264 -10.900 -6.442 1.00 0.00 N ATOM 136 CA ARG A 10 -16.334 -11.796 -5.778 1.00 0.00 C ATOM 137 C ARG A 10 -15.931 -11.266 -4.413 1.00 0.00 C ATOM 138 O ARG A 10 -16.309 -11.822 -3.391 1.00 0.00 O ATOM 139 CB ARG A 10 -15.110 -12.062 -6.668 1.00 0.00 C ATOM 140 CG ARG A 10 -14.352 -13.308 -6.164 1.00 0.00 C ATOM 141 CD ARG A 10 -14.130 -14.288 -7.303 1.00 0.00 C ATOM 142 NE ARG A 10 -15.402 -14.917 -7.735 1.00 0.00 N ATOM 143 CZ ARG A 10 -15.652 -15.470 -8.901 1.00 0.00 C ATOM 144 NH1 ARG A 10 -14.745 -15.510 -9.823 1.00 0.00 N ATOM 145 NH2 ARG A 10 -16.811 -15.983 -9.159 1.00 0.00 N ATOM 0 H ARG A 10 -16.837 -10.335 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.840 -12.747 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.426 -12.211 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.449 -11.196 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.393 -13.011 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.919 -13.789 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.674 -13.770 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.429 -15.061 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.163 -14.921 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.823 -15.109 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.952 -15.942 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.547 -15.962 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.989 -16.408 -10.069 1.00 0.00 H new ATOM 159 N GLU A 11 -15.164 -10.185 -4.431 1.00 0.00 N ATOM 160 CA GLU A 11 -14.690 -9.533 -3.234 1.00 0.00 C ATOM 161 C GLU A 11 -15.743 -8.564 -2.723 1.00 0.00 C ATOM 162 O GLU A 11 -16.288 -7.765 -3.488 1.00 0.00 O ATOM 163 CB GLU A 11 -13.346 -8.820 -3.487 1.00 0.00 C ATOM 164 CG GLU A 11 -12.161 -9.653 -2.965 1.00 0.00 C ATOM 165 CD GLU A 11 -11.574 -10.465 -4.124 1.00 0.00 C ATOM 166 OE1 GLU A 11 -10.844 -9.852 -4.937 1.00 0.00 O ATOM 167 OE2 GLU A 11 -12.033 -11.615 -4.312 1.00 0.00 O ATOM 0 H GLU A 11 -14.853 -9.736 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.515 -10.289 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.223 -8.640 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.351 -7.846 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.400 -8.999 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.491 -10.319 -2.168 1.00 0.00 H new ATOM 174 N GLY A 12 -16.006 -8.638 -1.422 1.00 0.00 N ATOM 175 CA GLY A 12 -16.969 -7.760 -0.779 1.00 0.00 C ATOM 176 C GLY A 12 -16.401 -6.368 -0.535 1.00 0.00 C ATOM 177 O GLY A 12 -17.105 -5.380 -0.724 1.00 0.00 O ATOM 0 H GLY A 12 -15.560 -9.304 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.861 -7.683 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.279 -8.196 0.171 1.00 0.00 H new ATOM 181 N SER A 13 -15.140 -6.307 -0.103 1.00 0.00 N ATOM 182 CA SER A 13 -14.395 -5.078 0.178 1.00 0.00 C ATOM 183 C SER A 13 -13.003 -5.367 0.738 1.00 0.00 C ATOM 184 O SER A 13 -12.042 -4.650 0.454 1.00 0.00 O ATOM 185 CB SER A 13 -15.151 -4.209 1.205 1.00 0.00 C ATOM 186 OG SER A 13 -15.344 -2.899 0.692 1.00 0.00 O ATOM 0 H SER A 13 -14.587 -7.147 0.068 1.00 0.00 H new ATOM 0 HA SER A 13 -14.296 -4.552 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.115 -4.662 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.588 -4.163 2.137 1.00 0.00 H new ATOM 0 HG SER A 13 -15.826 -2.357 1.351 1.00 0.00 H new ATOM 192 N SER A 14 -12.889 -6.433 1.524 1.00 0.00 N ATOM 193 CA SER A 14 -11.656 -6.889 2.128 1.00 0.00 C ATOM 194 C SER A 14 -11.840 -8.323 2.597 1.00 0.00 C ATOM 195 O SER A 14 -12.964 -8.688 2.959 1.00 0.00 O ATOM 196 CB SER A 14 -11.240 -5.936 3.269 1.00 0.00 C ATOM 197 OG SER A 14 -12.276 -5.526 4.161 1.00 0.00 O ATOM 0 H SER A 14 -13.688 -7.021 1.763 1.00 0.00 H new ATOM 0 HA SER A 14 -10.844 -6.876 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.459 -6.422 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.798 -5.044 2.825 1.00 0.00 H new ATOM 0 HG SER A 14 -11.903 -4.928 4.843 1.00 0.00 H new ATOM 203 N SER A 15 -10.754 -9.106 2.553 1.00 0.00 N ATOM 204 CA SER A 15 -10.718 -10.472 3.073 1.00 0.00 C ATOM 205 C SER A 15 -11.056 -10.507 4.558 1.00 0.00 C ATOM 206 O SER A 15 -11.455 -9.497 5.131 1.00 0.00 O ATOM 207 CB SER A 15 -9.338 -11.106 2.832 1.00 0.00 C ATOM 208 OG SER A 15 -9.477 -12.515 2.711 1.00 0.00 O ATOM 0 H SER A 15 -9.868 -8.802 2.150 1.00 0.00 H new ATOM 0 HA SER A 15 -11.472 -11.050 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.891 -10.695 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.667 -10.866 3.657 1.00 0.00 H new ATOM 0 HG SER A 15 -8.597 -12.918 2.556 1.00 0.00 H new ATOM 214 N GLN A 16 -10.779 -11.622 5.232 1.00 0.00 N ATOM 215 CA GLN A 16 -11.021 -11.763 6.666 1.00 0.00 C ATOM 216 C GLN A 16 -10.724 -10.481 7.454 1.00 0.00 C ATOM 217 O GLN A 16 -11.595 -9.970 8.156 1.00 0.00 O ATOM 218 CB GLN A 16 -10.198 -12.924 7.223 1.00 0.00 C ATOM 219 CG GLN A 16 -10.484 -13.090 8.726 1.00 0.00 C ATOM 220 CD GLN A 16 -10.023 -14.436 9.261 1.00 0.00 C ATOM 221 OE1 GLN A 16 -9.042 -15.019 8.827 1.00 0.00 O ATOM 222 NE2 GLN A 16 -10.722 -14.960 10.241 1.00 0.00 N ATOM 0 H GLN A 16 -10.380 -12.454 4.798 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.085 -11.967 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.444 -13.844 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.136 -12.739 7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.985 -12.293 9.278 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.554 -12.979 8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.541 -14.471 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.446 -15.856 10.642 1.00 0.00 H new ATOM 231 N GLN A 17 -9.511 -9.950 7.273 1.00 0.00 N ATOM 232 CA GLN A 17 -9.080 -8.686 7.839 1.00 0.00 C ATOM 233 C GLN A 17 -7.708 -8.286 7.285 1.00 0.00 C ATOM 234 O GLN A 17 -6.805 -7.898 8.030 1.00 0.00 O ATOM 235 CB GLN A 17 -9.103 -8.797 9.375 1.00 0.00 C ATOM 236 CG GLN A 17 -9.348 -7.418 9.983 1.00 0.00 C ATOM 237 CD GLN A 17 -9.965 -7.524 11.363 1.00 0.00 C ATOM 238 OE1 GLN A 17 -9.499 -8.229 12.238 1.00 0.00 O ATOM 239 NE2 GLN A 17 -11.044 -6.813 11.594 1.00 0.00 N ATOM 0 H GLN A 17 -8.790 -10.405 6.713 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.763 -7.887 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.885 -9.488 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.157 -9.202 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.406 -6.873 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.006 -6.843 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.433 -6.223 10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.494 -6.851 12.509 1.00 0.00 H new ATOM 248 N CYS A 18 -7.544 -8.423 5.975 1.00 0.00 N ATOM 249 CA CYS A 18 -6.295 -8.059 5.364 1.00 0.00 C ATOM 250 C CYS A 18 -6.147 -6.545 5.375 1.00 0.00 C ATOM 251 O CYS A 18 -5.121 -6.120 5.856 1.00 0.00 O ATOM 252 CB CYS A 18 -6.138 -8.567 3.932 1.00 0.00 C ATOM 253 SG CYS A 18 -4.583 -9.406 3.663 1.00 0.00 S ATOM 0 H CYS A 18 -8.253 -8.778 5.334 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.513 -8.537 5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.958 -9.247 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.217 -7.727 3.242 1.00 0.00 H new ATOM 258 N ARG A 19 -7.182 -5.752 5.101 1.00 0.00 N ATOM 259 CA ARG A 19 -7.161 -4.297 5.052 1.00 0.00 C ATOM 260 C ARG A 19 -6.481 -3.685 6.258 1.00 0.00 C ATOM 261 O ARG A 19 -5.826 -2.669 6.133 1.00 0.00 O ATOM 262 CB ARG A 19 -8.595 -3.768 4.937 1.00 0.00 C ATOM 263 CG ARG A 19 -8.634 -2.495 4.089 1.00 0.00 C ATOM 264 CD ARG A 19 -10.091 -2.063 3.834 1.00 0.00 C ATOM 265 NE ARG A 19 -10.270 -1.433 2.506 1.00 0.00 N ATOM 266 CZ ARG A 19 -10.078 -2.003 1.344 1.00 0.00 C ATOM 267 NH1 ARG A 19 -9.673 -3.218 1.248 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.246 -1.361 0.257 1.00 0.00 N ATOM 0 H ARG A 19 -8.106 -6.132 4.897 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.580 -4.007 4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.234 -4.529 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.993 -3.562 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.095 -1.696 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.128 -2.668 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.744 -2.933 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.400 -1.363 4.610 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.573 -0.459 2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.493 -3.764 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.532 -3.637 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.536 -0.383 0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.091 -1.825 -0.638 1.00 0.00 H new ATOM 282 N GLN A 20 -6.617 -4.352 7.389 1.00 0.00 N ATOM 283 CA GLN A 20 -5.915 -4.052 8.593 1.00 0.00 C ATOM 284 C GLN A 20 -4.391 -4.216 8.513 1.00 0.00 C ATOM 285 O GLN A 20 -3.667 -3.341 8.942 1.00 0.00 O ATOM 286 CB GLN A 20 -6.434 -4.936 9.713 1.00 0.00 C ATOM 287 CG GLN A 20 -6.052 -4.323 11.080 1.00 0.00 C ATOM 288 CD GLN A 20 -5.186 -5.260 11.899 1.00 0.00 C ATOM 289 OE1 GLN A 20 -4.076 -5.710 11.362 1.00 0.00 O flip ATOM 290 NE2 GLN A 20 -5.476 -5.597 13.025 1.00 0.00 N flip ATOM 0 H GLN A 20 -7.249 -5.147 7.483 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.102 -2.994 8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.517 -5.036 9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.014 -5.938 9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.521 -3.384 10.921 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.958 -4.086 11.637 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.336 -5.255 13.454 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.861 -6.223 13.544 1.00 0.00 H new ATOM 299 N GLU A 21 -3.882 -5.363 8.109 1.00 0.00 N ATOM 300 CA GLU A 21 -2.481 -5.559 7.873 1.00 0.00 C ATOM 301 C GLU A 21 -1.991 -4.913 6.582 1.00 0.00 C ATOM 302 O GLU A 21 -0.929 -4.346 6.575 1.00 0.00 O ATOM 303 CB GLU A 21 -2.137 -7.052 7.840 1.00 0.00 C ATOM 304 CG GLU A 21 -1.597 -7.495 9.207 1.00 0.00 C ATOM 305 CD GLU A 21 -0.076 -7.348 9.297 1.00 0.00 C ATOM 306 OE1 GLU A 21 0.415 -6.252 8.973 1.00 0.00 O ATOM 307 OE2 GLU A 21 0.572 -8.276 9.811 1.00 0.00 O ATOM 0 H GLU A 21 -4.447 -6.194 7.935 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.972 -5.070 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.023 -7.633 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.394 -7.246 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.066 -6.901 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.872 -8.534 9.386 1.00 0.00 H new ATOM 314 N VAL A 22 -2.751 -4.888 5.509 1.00 0.00 N ATOM 315 CA VAL A 22 -2.474 -4.248 4.253 1.00 0.00 C ATOM 316 C VAL A 22 -2.210 -2.772 4.459 1.00 0.00 C ATOM 317 O VAL A 22 -1.326 -2.222 3.828 1.00 0.00 O ATOM 318 CB VAL A 22 -3.666 -4.459 3.317 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.536 -3.634 2.053 1.00 0.00 C ATOM 320 CG2 VAL A 22 -3.840 -5.940 2.930 1.00 0.00 C ATOM 0 H VAL A 22 -3.656 -5.358 5.498 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.581 -4.687 3.807 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.546 -4.133 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.401 -3.810 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.486 -2.576 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.628 -3.921 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.697 -6.044 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.942 -6.291 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.004 -6.534 3.829 1.00 0.00 H new ATOM 330 N GLN A 23 -2.864 -2.144 5.424 1.00 0.00 N ATOM 331 CA GLN A 23 -2.561 -0.761 5.750 1.00 0.00 C ATOM 332 C GLN A 23 -1.170 -0.516 6.360 1.00 0.00 C ATOM 333 O GLN A 23 -0.782 0.615 6.633 1.00 0.00 O ATOM 334 CB GLN A 23 -3.651 -0.207 6.660 1.00 0.00 C ATOM 335 CG GLN A 23 -3.520 -0.514 8.139 1.00 0.00 C ATOM 336 CD GLN A 23 -3.203 0.664 9.044 1.00 0.00 C ATOM 337 OE1 GLN A 23 -3.036 1.819 8.690 1.00 0.00 O ATOM 338 NE2 GLN A 23 -3.091 0.376 10.310 1.00 0.00 N ATOM 0 H GLN A 23 -3.601 -2.566 5.990 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.537 -0.230 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.679 0.876 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.611 -0.592 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.452 -0.966 8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.738 -1.263 8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.227 -0.583 10.629 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.868 1.110 10.982 1.00 0.00 H new ATOM 347 N ARG A 24 -0.462 -1.600 6.643 1.00 0.00 N ATOM 348 CA ARG A 24 0.842 -1.678 7.275 1.00 0.00 C ATOM 349 C ARG A 24 1.729 -2.796 6.695 1.00 0.00 C ATOM 350 O ARG A 24 2.714 -3.179 7.322 1.00 0.00 O ATOM 351 CB ARG A 24 0.666 -1.790 8.806 1.00 0.00 C ATOM 352 CG ARG A 24 -0.291 -2.915 9.213 1.00 0.00 C ATOM 353 CD ARG A 24 -0.320 -3.143 10.709 1.00 0.00 C ATOM 354 NE ARG A 24 -0.535 -4.562 11.030 1.00 0.00 N ATOM 355 CZ ARG A 24 -0.308 -5.152 12.183 1.00 0.00 C ATOM 356 NH1 ARG A 24 0.068 -4.457 13.207 1.00 0.00 N ATOM 357 NH2 ARG A 24 -0.484 -6.427 12.344 1.00 0.00 N ATOM 0 H ARG A 24 -0.820 -2.528 6.415 1.00 0.00 H new ATOM 0 HA ARG A 24 1.382 -0.757 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.639 -1.962 9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.292 -0.843 9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.296 -2.675 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.006 -3.838 8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.619 -2.807 11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.113 -2.543 11.155 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.898 -5.150 10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.189 -3.448 13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.243 -4.918 14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.807 -7.000 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.300 -6.857 13.250 1.00 0.00 H new ATOM 371 N LYS A 25 1.366 -3.328 5.535 1.00 0.00 N ATOM 372 CA LYS A 25 2.020 -4.469 4.926 1.00 0.00 C ATOM 373 C LYS A 25 1.964 -4.366 3.418 1.00 0.00 C ATOM 374 O LYS A 25 2.900 -3.853 2.823 1.00 0.00 O ATOM 375 CB LYS A 25 1.429 -5.794 5.441 1.00 0.00 C ATOM 376 CG LYS A 25 2.047 -6.964 4.699 1.00 0.00 C ATOM 377 CD LYS A 25 2.146 -8.189 5.593 1.00 0.00 C ATOM 378 CE LYS A 25 3.504 -8.165 6.268 1.00 0.00 C ATOM 379 NZ LYS A 25 3.549 -9.110 7.388 1.00 0.00 N ATOM 0 H LYS A 25 0.589 -2.966 4.982 1.00 0.00 H new ATOM 0 HA LYS A 25 3.070 -4.463 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.615 -5.893 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.348 -5.797 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.447 -7.199 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.040 -6.689 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.350 -8.183 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.028 -9.100 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.279 -8.416 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.718 -7.158 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.488 -9.075 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.824 -8.854 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.367 -10.072 7.038 1.00 0.00 H new ATOM 393 N ASP A 26 0.890 -4.854 2.810 1.00 0.00 N ATOM 394 CA ASP A 26 0.706 -4.759 1.402 1.00 0.00 C ATOM 395 C ASP A 26 0.681 -3.300 0.998 1.00 0.00 C ATOM 396 O ASP A 26 0.498 -2.482 1.879 1.00 0.00 O ATOM 397 CB ASP A 26 -0.622 -5.366 0.983 1.00 0.00 C ATOM 398 CG ASP A 26 -0.832 -6.839 1.260 1.00 0.00 C ATOM 399 OD1 ASP A 26 -0.439 -7.370 2.317 1.00 0.00 O ATOM 400 OD2 ASP A 26 -1.492 -7.466 0.427 1.00 0.00 O ATOM 0 H ASP A 26 0.129 -5.326 3.299 1.00 0.00 H new ATOM 0 HA ASP A 26 1.525 -5.294 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.418 -4.813 1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.744 -5.204 -0.088 1.00 0.00 H new ATOM 405 N LEU A 27 0.792 -2.957 -0.303 1.00 0.00 N ATOM 406 CA LEU A 27 0.746 -1.599 -0.883 1.00 0.00 C ATOM 407 C LEU A 27 0.536 -0.499 0.147 1.00 0.00 C ATOM 408 O LEU A 27 -0.560 0.006 0.320 1.00 0.00 O ATOM 409 CB LEU A 27 -0.292 -1.521 -2.001 1.00 0.00 C ATOM 410 CG LEU A 27 -0.076 -2.456 -3.172 1.00 0.00 C ATOM 411 CD1 LEU A 27 1.301 -2.304 -3.746 1.00 0.00 C ATOM 412 CD2 LEU A 27 -0.368 -3.930 -2.902 1.00 0.00 C ATOM 0 H LEU A 27 0.925 -3.668 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 27 1.733 -1.417 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.274 -1.726 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.316 -0.498 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.824 -2.140 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.423 -2.989 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.440 -1.280 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.042 -2.533 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.181 -4.510 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.279 -4.288 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.411 -4.046 -2.606 1.00 0.00 H new ATOM 424 N SER A 28 1.608 -0.171 0.857 1.00 0.00 N ATOM 425 CA SER A 28 1.574 0.666 2.073 1.00 0.00 C ATOM 426 C SER A 28 2.713 1.673 1.986 1.00 0.00 C ATOM 427 O SER A 28 3.309 2.144 2.955 1.00 0.00 O ATOM 428 CB SER A 28 1.564 -0.170 3.381 1.00 0.00 C ATOM 429 OG SER A 28 1.748 0.624 4.543 1.00 0.00 O ATOM 0 H SER A 28 2.548 -0.480 0.608 1.00 0.00 H new ATOM 0 HA SER A 28 0.632 1.213 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.617 -0.704 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.351 -0.922 3.332 1.00 0.00 H new ATOM 0 HG SER A 28 2.327 1.386 4.330 1.00 0.00 H new ATOM 435 N SER A 29 3.057 2.019 0.759 1.00 0.00 N ATOM 436 CA SER A 29 4.146 2.919 0.482 1.00 0.00 C ATOM 437 C SER A 29 4.215 3.291 -0.990 1.00 0.00 C ATOM 438 O SER A 29 4.540 4.425 -1.296 1.00 0.00 O ATOM 439 CB SER A 29 5.503 2.311 0.850 1.00 0.00 C ATOM 440 OG SER A 29 6.484 3.337 0.728 1.00 0.00 O ATOM 0 H SER A 29 2.581 1.677 -0.076 1.00 0.00 H new ATOM 0 HA SER A 29 3.948 3.801 1.090 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.484 1.919 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.739 1.475 0.191 1.00 0.00 H new ATOM 0 HG SER A 29 7.365 2.976 0.960 1.00 0.00 H new ATOM 446 N CYS A 30 3.816 2.391 -1.887 1.00 0.00 N ATOM 447 CA CYS A 30 3.767 2.674 -3.306 1.00 0.00 C ATOM 448 C CYS A 30 2.935 3.907 -3.620 1.00 0.00 C ATOM 449 O CYS A 30 3.434 4.871 -4.185 1.00 0.00 O ATOM 450 CB CYS A 30 3.176 1.463 -4.027 1.00 0.00 C ATOM 451 SG CYS A 30 3.931 -0.114 -3.534 1.00 0.00 S ATOM 0 H CYS A 30 3.519 1.446 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 30 4.783 2.874 -3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.105 1.421 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.298 1.595 -5.102 1.00 0.00 H new ATOM 456 N GLU A 31 1.719 3.949 -3.085 1.00 0.00 N ATOM 457 CA GLU A 31 0.896 5.129 -3.254 1.00 0.00 C ATOM 458 C GLU A 31 1.344 6.262 -2.330 1.00 0.00 C ATOM 459 O GLU A 31 1.170 7.441 -2.604 1.00 0.00 O ATOM 460 CB GLU A 31 -0.560 4.757 -2.968 1.00 0.00 C ATOM 461 CG GLU A 31 -1.423 4.814 -4.215 1.00 0.00 C ATOM 462 CD GLU A 31 -1.000 3.654 -5.132 1.00 0.00 C ATOM 463 OE1 GLU A 31 0.170 3.603 -5.555 1.00 0.00 O ATOM 464 OE2 GLU A 31 -1.847 2.783 -5.407 1.00 0.00 O ATOM 0 H GLU A 31 1.294 3.196 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 31 0.998 5.487 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.600 3.753 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.965 5.435 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.478 4.730 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.296 5.769 -4.724 1.00 0.00 H new ATOM 471 N ARG A 32 1.917 5.920 -1.184 1.00 0.00 N ATOM 472 CA ARG A 32 2.457 6.915 -0.276 1.00 0.00 C ATOM 473 C ARG A 32 3.621 7.706 -0.897 1.00 0.00 C ATOM 474 O ARG A 32 3.819 8.861 -0.559 1.00 0.00 O ATOM 475 CB ARG A 32 2.954 6.235 0.988 1.00 0.00 C ATOM 476 CG ARG A 32 3.032 7.223 2.161 1.00 0.00 C ATOM 477 CD ARG A 32 1.741 7.191 2.960 1.00 0.00 C ATOM 478 NE ARG A 32 1.570 5.901 3.674 1.00 0.00 N ATOM 479 CZ ARG A 32 0.808 5.660 4.715 1.00 0.00 C ATOM 480 NH1 ARG A 32 0.103 6.609 5.243 1.00 0.00 N ATOM 481 NH2 ARG A 32 0.747 4.478 5.236 1.00 0.00 N ATOM 0 H ARG A 32 2.019 4.957 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 32 1.652 7.615 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.287 5.412 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.938 5.803 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.873 6.968 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.211 8.231 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.738 8.009 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.895 7.352 2.292 1.00 0.00 H new ATOM 0 HE ARG A 32 2.106 5.111 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.138 7.550 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.488 6.416 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.296 3.716 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.150 4.307 6.045 1.00 0.00 H new ATOM 495 N TYR A 33 4.405 7.073 -1.750 1.00 0.00 N ATOM 496 CA TYR A 33 5.536 7.634 -2.448 1.00 0.00 C ATOM 497 C TYR A 33 5.099 8.827 -3.273 1.00 0.00 C ATOM 498 O TYR A 33 5.686 9.900 -3.145 1.00 0.00 O ATOM 499 CB TYR A 33 6.138 6.561 -3.359 1.00 0.00 C ATOM 500 CG TYR A 33 7.269 7.052 -4.197 1.00 0.00 C ATOM 501 CD1 TYR A 33 8.416 7.554 -3.581 1.00 0.00 C ATOM 502 CD2 TYR A 33 7.146 7.088 -5.592 1.00 0.00 C ATOM 503 CE1 TYR A 33 9.439 8.100 -4.388 1.00 0.00 C ATOM 504 CE2 TYR A 33 8.214 7.541 -6.406 1.00 0.00 C ATOM 505 CZ TYR A 33 9.380 8.041 -5.799 1.00 0.00 C ATOM 506 OH TYR A 33 10.395 8.496 -6.535 1.00 0.00 O ATOM 0 H TYR A 33 4.255 6.092 -1.985 1.00 0.00 H new ATOM 0 HA TYR A 33 6.283 7.966 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.486 5.730 -2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.357 6.171 -4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.520 7.526 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.224 6.766 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 33 10.287 8.574 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.133 7.503 -7.482 1.00 0.00 H new ATOM 0 HH TYR A 33 10.189 8.378 -7.486 1.00 0.00 H new ATOM 516 N LEU A 34 4.002 8.654 -4.014 1.00 0.00 N ATOM 517 CA LEU A 34 3.419 9.730 -4.789 1.00 0.00 C ATOM 518 C LEU A 34 2.707 10.759 -3.904 1.00 0.00 C ATOM 519 O LEU A 34 2.476 11.889 -4.321 1.00 0.00 O ATOM 520 CB LEU A 34 2.488 9.128 -5.842 1.00 0.00 C ATOM 521 CG LEU A 34 0.986 9.041 -5.449 1.00 0.00 C ATOM 522 CD1 LEU A 34 0.186 10.322 -5.752 1.00 0.00 C ATOM 523 CD2 LEU A 34 0.365 7.801 -6.059 1.00 0.00 C ATOM 0 H LEU A 34 3.503 7.768 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 34 4.214 10.281 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.572 9.719 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.840 8.124 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 34 0.939 8.953 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.852 10.183 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.615 11.158 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.228 10.533 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.687 7.746 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.450 7.848 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.884 6.916 -5.692 1.00 0.00 H new ATOM 535 N ARG A 35 2.273 10.326 -2.719 1.00 0.00 N ATOM 536 CA ARG A 35 1.644 11.198 -1.742 1.00 0.00 C ATOM 537 C ARG A 35 2.651 12.202 -1.189 1.00 0.00 C ATOM 538 O ARG A 35 2.283 13.329 -0.873 1.00 0.00 O ATOM 539 CB ARG A 35 1.012 10.386 -0.599 1.00 0.00 C ATOM 540 CG ARG A 35 0.074 11.263 0.253 1.00 0.00 C ATOM 541 CD ARG A 35 0.276 10.983 1.734 1.00 0.00 C ATOM 542 NE ARG A 35 -0.287 12.072 2.559 1.00 0.00 N ATOM 543 CZ ARG A 35 -0.389 12.107 3.871 1.00 0.00 C ATOM 544 NH1 ARG A 35 0.016 11.112 4.593 1.00 0.00 N ATOM 545 NH2 ARG A 35 -0.886 13.128 4.483 1.00 0.00 N ATOM 0 H ARG A 35 2.351 9.356 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 35 0.849 11.746 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.454 9.546 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.797 9.969 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.266 12.316 0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.963 11.068 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.200 10.039 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.340 10.874 1.946 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.636 12.888 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.420 10.289 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.068 11.151 5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.211 13.934 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.954 13.129 5.501 1.00 0.00 H new ATOM 559 N GLN A 36 3.868 11.724 -0.949 1.00 0.00 N ATOM 560 CA GLN A 36 4.952 12.540 -0.462 1.00 0.00 C ATOM 561 C GLN A 36 5.568 13.396 -1.578 1.00 0.00 C ATOM 562 O GLN A 36 4.979 13.593 -2.634 1.00 0.00 O ATOM 563 CB GLN A 36 5.986 11.669 0.296 1.00 0.00 C ATOM 564 CG GLN A 36 6.127 12.166 1.749 1.00 0.00 C ATOM 565 CD GLN A 36 6.532 13.644 1.855 1.00 0.00 C ATOM 566 OE1 GLN A 36 5.725 14.545 1.779 1.00 0.00 O ATOM 567 NE2 GLN A 36 7.796 13.954 1.965 1.00 0.00 N ATOM 0 H GLN A 36 4.122 10.747 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 36 4.556 13.255 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.671 10.626 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.951 11.714 -0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.180 12.019 2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.870 11.556 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.498 13.217 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.081 14.933 1.985 1.00 0.00 H new ATOM 576 N SER A 37 6.749 13.940 -1.315 1.00 0.00 N ATOM 577 CA SER A 37 7.514 14.691 -2.283 1.00 0.00 C ATOM 578 C SER A 37 9.012 14.468 -2.105 1.00 0.00 C ATOM 579 O SER A 37 9.727 14.250 -3.079 1.00 0.00 O ATOM 580 CB SER A 37 7.153 16.172 -2.125 1.00 0.00 C ATOM 581 OG SER A 37 7.941 16.965 -2.988 1.00 0.00 O ATOM 0 H SER A 37 7.204 13.866 -0.405 1.00 0.00 H new ATOM 0 HA SER A 37 7.268 14.352 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.096 16.321 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.308 16.483 -1.092 1.00 0.00 H new ATOM 0 HG SER A 37 7.699 17.908 -2.878 1.00 0.00 H new ATOM 587 N SER A 38 9.488 14.499 -0.860 1.00 0.00 N ATOM 588 CA SER A 38 10.894 14.328 -0.543 1.00 0.00 C ATOM 589 C SER A 38 11.057 13.925 0.911 1.00 0.00 C ATOM 590 O SER A 38 10.812 14.703 1.826 1.00 0.00 O ATOM 591 CB SER A 38 11.681 15.621 -0.815 1.00 0.00 C ATOM 592 OG SER A 38 12.722 15.372 -1.753 1.00 0.00 O ATOM 0 H SER A 38 8.898 14.645 -0.041 1.00 0.00 H new ATOM 0 HA SER A 38 11.291 13.540 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.011 16.390 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.103 16.002 0.115 1.00 0.00 H new ATOM 0 HG SER A 38 13.216 16.201 -1.921 1.00 0.00 H new ATOM 598 N SER A 39 11.391 12.665 1.144 1.00 0.00 N ATOM 599 CA SER A 39 11.591 12.119 2.478 1.00 0.00 C ATOM 600 C SER A 39 12.278 10.775 2.384 1.00 0.00 C ATOM 601 O SER A 39 12.396 10.181 1.310 1.00 0.00 O ATOM 602 CB SER A 39 10.252 11.957 3.221 1.00 0.00 C ATOM 603 OG SER A 39 9.247 11.526 2.323 1.00 0.00 O ATOM 0 H SER A 39 11.533 11.982 0.400 1.00 0.00 H new ATOM 0 HA SER A 39 12.214 12.817 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.361 11.235 4.030 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.962 12.904 3.676 1.00 0.00 H new ATOM 0 HG SER A 39 8.890 10.663 2.621 1.00 0.00 H new ATOM 609 N ARG A 40 12.743 10.293 3.533 1.00 0.00 N ATOM 610 CA ARG A 40 13.407 9.006 3.635 1.00 0.00 C ATOM 611 C ARG A 40 13.517 8.579 5.079 1.00 0.00 C ATOM 612 O ARG A 40 12.818 7.656 5.473 1.00 0.00 O ATOM 613 CB ARG A 40 14.783 9.075 2.937 1.00 0.00 C ATOM 614 CG ARG A 40 15.073 7.762 2.208 1.00 0.00 C ATOM 615 CD ARG A 40 15.853 6.790 3.095 1.00 0.00 C ATOM 616 NE ARG A 40 16.382 5.668 2.291 1.00 0.00 N ATOM 617 CZ ARG A 40 17.332 5.726 1.376 1.00 0.00 C ATOM 618 NH1 ARG A 40 17.943 6.844 1.123 1.00 0.00 N ATOM 619 NH2 ARG A 40 17.636 4.684 0.675 1.00 0.00 N ATOM 0 H ARG A 40 12.667 10.790 4.421 1.00 0.00 H new ATOM 0 HA ARG A 40 12.814 8.246 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.798 9.903 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.563 9.270 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.135 7.301 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.642 7.966 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.674 7.314 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.205 6.407 3.883 1.00 0.00 H new ATOM 0 HE ARG A 40 15.969 4.751 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.691 7.690 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.675 6.876 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.140 3.805 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.372 4.740 -0.029 1.00 0.00 H new ATOM 633 N ARG A 41 14.351 9.295 5.833 1.00 0.00 N ATOM 634 CA ARG A 41 14.664 9.067 7.228 1.00 0.00 C ATOM 635 C ARG A 41 15.615 10.123 7.767 1.00 0.00 C ATOM 636 O ARG A 41 15.894 11.094 7.072 1.00 0.00 O ATOM 637 CB ARG A 41 15.254 7.655 7.417 1.00 0.00 C ATOM 638 CG ARG A 41 14.542 7.001 8.612 1.00 0.00 C ATOM 639 CD ARG A 41 13.174 6.461 8.202 1.00 0.00 C ATOM 640 NE ARG A 41 12.597 5.647 9.278 1.00 0.00 N ATOM 641 CZ ARG A 41 11.324 5.369 9.452 1.00 0.00 C ATOM 642 NH1 ARG A 41 10.425 5.856 8.656 1.00 0.00 N ATOM 643 NH2 ARG A 41 10.934 4.627 10.437 1.00 0.00 N ATOM 0 H ARG A 41 14.853 10.098 5.454 1.00 0.00 H new ATOM 0 HA ARG A 41 13.737 9.141 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.112 7.059 6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.328 7.711 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.154 6.190 9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.424 7.730 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.506 7.289 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.270 5.862 7.297 1.00 0.00 H new ATOM 0 HE ARG A 41 13.249 5.258 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.702 6.462 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.440 5.633 8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.618 4.248 11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.943 4.420 10.558 1.00 0.00 H new ATOM 657 N SER A 42 16.030 9.941 9.016 1.00 0.00 N ATOM 658 CA SER A 42 17.009 10.784 9.671 1.00 0.00 C ATOM 659 C SER A 42 18.434 10.389 9.269 1.00 0.00 C ATOM 660 O SER A 42 18.681 9.870 8.188 1.00 0.00 O ATOM 661 CB SER A 42 16.792 10.729 11.192 1.00 0.00 C ATOM 662 OG SER A 42 17.053 12.014 11.754 1.00 0.00 O ATOM 0 H SER A 42 15.685 9.186 9.609 1.00 0.00 H new ATOM 0 HA SER A 42 16.876 11.816 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.769 10.424 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.451 9.984 11.638 1.00 0.00 H new ATOM 0 HG SER A 42 16.914 11.981 12.723 1.00 0.00 H new ATOM 668 N THR A 43 19.382 10.698 10.133 1.00 0.00 N ATOM 669 CA THR A 43 20.790 10.400 9.980 1.00 0.00 C ATOM 670 C THR A 43 21.070 8.899 10.115 1.00 0.00 C ATOM 671 O THR A 43 20.992 8.362 11.217 1.00 0.00 O ATOM 672 CB THR A 43 21.580 11.205 11.024 1.00 0.00 C ATOM 673 OG1 THR A 43 21.243 10.784 12.329 1.00 0.00 O ATOM 674 CG2 THR A 43 21.252 12.709 10.941 1.00 0.00 C ATOM 0 H THR A 43 19.179 11.188 11.004 1.00 0.00 H new ATOM 0 HA THR A 43 21.107 10.687 8.977 1.00 0.00 H new ATOM 0 HB THR A 43 22.636 11.037 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 43 21.040 9.825 12.321 1.00 0.00 H new ATOM 0 HG21 THR A 43 21.828 13.249 11.693 1.00 0.00 H new ATOM 0 HG22 THR A 43 21.508 13.083 9.950 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.188 12.860 11.122 1.00 0.00 H new ATOM 682 N GLY A 44 21.388 8.246 8.999 1.00 0.00 N ATOM 683 CA GLY A 44 21.613 6.809 8.948 1.00 0.00 C ATOM 684 C GLY A 44 20.356 6.061 8.541 1.00 0.00 C ATOM 685 O GLY A 44 19.338 6.161 9.213 1.00 0.00 O ATOM 0 H GLY A 44 21.497 8.708 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.413 6.590 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.946 6.457 9.924 1.00 0.00 H new ATOM 689 N GLU A 45 20.424 5.359 7.408 1.00 0.00 N ATOM 690 CA GLU A 45 19.317 4.559 6.896 1.00 0.00 C ATOM 691 C GLU A 45 19.819 3.459 5.955 1.00 0.00 C ATOM 692 O GLU A 45 19.629 3.490 4.738 1.00 0.00 O ATOM 693 CB GLU A 45 18.273 5.473 6.225 1.00 0.00 C ATOM 694 CG GLU A 45 16.949 4.723 6.042 1.00 0.00 C ATOM 695 CD GLU A 45 16.135 4.471 7.312 1.00 0.00 C ATOM 696 OE1 GLU A 45 16.683 4.556 8.429 1.00 0.00 O ATOM 697 OE2 GLU A 45 14.929 4.196 7.168 1.00 0.00 O ATOM 0 H GLU A 45 21.256 5.332 6.818 1.00 0.00 H new ATOM 0 HA GLU A 45 18.829 4.054 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.114 6.363 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.644 5.811 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.330 5.286 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.162 3.761 5.575 1.00 0.00 H new ATOM 704 N GLU A 46 20.513 2.482 6.526 1.00 0.00 N ATOM 705 CA GLU A 46 21.075 1.380 5.764 1.00 0.00 C ATOM 706 C GLU A 46 19.981 0.379 5.389 1.00 0.00 C ATOM 707 O GLU A 46 19.725 -0.604 6.085 1.00 0.00 O ATOM 708 CB GLU A 46 22.251 0.717 6.507 1.00 0.00 C ATOM 709 CG GLU A 46 23.448 0.516 5.565 1.00 0.00 C ATOM 710 CD GLU A 46 24.666 1.247 6.110 1.00 0.00 C ATOM 711 OE1 GLU A 46 25.355 0.627 6.949 1.00 0.00 O ATOM 712 OE2 GLU A 46 24.862 2.411 5.692 1.00 0.00 O ATOM 0 H GLU A 46 20.700 2.434 7.528 1.00 0.00 H new ATOM 0 HA GLU A 46 21.488 1.777 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.548 1.337 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.936 -0.245 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.667 -0.547 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 46 23.205 0.888 4.570 1.00 0.00 H new ATOM 719 N VAL A 47 19.317 0.625 4.265 1.00 0.00 N ATOM 720 CA VAL A 47 18.193 -0.192 3.802 1.00 0.00 C ATOM 721 C VAL A 47 18.719 -1.422 3.057 1.00 0.00 C ATOM 722 O VAL A 47 18.314 -1.737 1.945 1.00 0.00 O ATOM 723 CB VAL A 47 17.176 0.616 2.967 1.00 0.00 C ATOM 724 CG1 VAL A 47 15.868 -0.182 2.777 1.00 0.00 C ATOM 725 CG2 VAL A 47 16.873 1.988 3.606 1.00 0.00 C ATOM 0 H VAL A 47 19.542 1.401 3.643 1.00 0.00 H new ATOM 0 HA VAL A 47 17.637 -0.533 4.676 1.00 0.00 H new ATOM 0 HB VAL A 47 17.628 0.794 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.166 0.406 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.084 -1.117 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.430 -0.399 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.153 2.526 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.458 1.841 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 47 17.794 2.567 3.678 1.00 0.00 H new ATOM 735 N LEU A 48 19.696 -2.080 3.666 1.00 0.00 N ATOM 736 CA LEU A 48 20.375 -3.233 3.118 1.00 0.00 C ATOM 737 C LEU A 48 21.033 -4.077 4.216 1.00 0.00 C ATOM 738 O LEU A 48 21.955 -4.845 3.976 1.00 0.00 O ATOM 739 CB LEU A 48 21.317 -2.798 1.975 1.00 0.00 C ATOM 740 CG LEU A 48 22.720 -2.300 2.396 1.00 0.00 C ATOM 741 CD1 LEU A 48 23.794 -2.840 1.452 1.00 0.00 C ATOM 742 CD2 LEU A 48 22.744 -0.776 2.452 1.00 0.00 C ATOM 0 H LEU A 48 20.045 -1.812 4.586 1.00 0.00 H new ATOM 0 HA LEU A 48 19.648 -3.908 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.443 -3.641 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.827 -2.004 1.411 1.00 0.00 H new ATOM 0 HG LEU A 48 22.940 -2.679 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.772 -2.477 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.786 -3.930 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.591 -2.499 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.737 -0.438 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 22.503 -0.372 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 48 22.010 -0.427 3.178 1.00 0.00 H new ATOM 754 N ARG A 49 20.553 -3.944 5.452 1.00 0.00 N ATOM 755 CA ARG A 49 21.088 -4.657 6.607 1.00 0.00 C ATOM 756 C ARG A 49 20.643 -6.124 6.698 1.00 0.00 C ATOM 757 O ARG A 49 20.667 -6.687 7.786 1.00 0.00 O ATOM 758 CB ARG A 49 20.819 -3.850 7.899 1.00 0.00 C ATOM 759 CG ARG A 49 22.153 -3.507 8.572 1.00 0.00 C ATOM 760 CD ARG A 49 22.839 -4.757 9.124 1.00 0.00 C ATOM 761 NE ARG A 49 24.186 -4.444 9.637 1.00 0.00 N ATOM 762 CZ ARG A 49 25.091 -5.306 10.050 1.00 0.00 C ATOM 763 NH1 ARG A 49 24.851 -6.578 10.056 1.00 0.00 N ATOM 764 NH2 ARG A 49 26.243 -4.897 10.469 1.00 0.00 N ATOM 0 H ARG A 49 19.771 -3.330 5.680 1.00 0.00 H new ATOM 0 HA ARG A 49 22.167 -4.729 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.273 -2.937 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.194 -4.429 8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 49 22.810 -3.018 7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.982 -2.797 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.233 -5.185 9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 49 22.912 -5.511 8.340 1.00 0.00 H new ATOM 0 HE ARG A 49 24.443 -3.458 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 49 23.948 -6.928 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 49 25.565 -7.230 10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 49 26.456 -3.900 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 49 26.939 -5.572 10.787 1.00 0.00 H new ATOM 778 N MET A 50 20.244 -6.708 5.576 1.00 0.00 N ATOM 779 CA MET A 50 19.616 -8.007 5.474 1.00 0.00 C ATOM 780 C MET A 50 19.109 -8.283 4.058 1.00 0.00 C ATOM 781 O MET A 50 19.475 -9.319 3.521 1.00 0.00 O ATOM 782 CB MET A 50 18.417 -8.135 6.435 1.00 0.00 C ATOM 783 CG MET A 50 18.640 -9.200 7.493 1.00 0.00 C ATOM 784 SD MET A 50 18.358 -8.575 9.160 1.00 0.00 S ATOM 785 CE MET A 50 17.534 -10.006 9.853 1.00 0.00 C ATOM 0 H MET A 50 20.359 -6.259 4.667 1.00 0.00 H new ATOM 0 HA MET A 50 20.386 -8.731 5.739 1.00 0.00 H new ATOM 0 HB2 MET A 50 18.239 -7.175 6.920 1.00 0.00 H new ATOM 0 HB3 MET A 50 17.520 -8.375 5.864 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.973 -10.042 7.305 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.660 -9.578 7.416 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.277 -9.809 10.894 1.00 0.00 H new ATOM 0 HE2 MET A 50 16.625 -10.212 9.288 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.198 -10.869 9.800 1.00 0.00 H new ATOM 795 N PRO A 51 18.248 -7.398 3.485 1.00 0.00 N ATOM 796 CA PRO A 51 17.704 -7.562 2.156 1.00 0.00 C ATOM 797 C PRO A 51 18.819 -7.257 1.160 1.00 0.00 C ATOM 798 O PRO A 51 19.615 -8.135 0.850 1.00 0.00 O ATOM 799 CB PRO A 51 16.492 -6.651 2.059 1.00 0.00 C ATOM 800 CG PRO A 51 16.685 -5.591 3.172 1.00 0.00 C ATOM 801 CD PRO A 51 17.758 -6.142 4.076 1.00 0.00 C ATOM 0 HA PRO A 51 17.362 -8.572 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 51 16.430 -6.183 1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.568 -7.210 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 51 16.982 -4.631 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.758 -5.425 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.573 -5.426 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.360 -6.320 5.075 1.00 0.00 H new ATOM 809 N GLY A 52 18.936 -6.004 0.713 1.00 0.00 N ATOM 810 CA GLY A 52 19.874 -5.581 -0.327 1.00 0.00 C ATOM 811 C GLY A 52 19.563 -6.166 -1.700 1.00 0.00 C ATOM 812 O GLY A 52 19.378 -5.388 -2.613 1.00 0.00 O ATOM 0 H GLY A 52 18.367 -5.238 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 19.864 -4.493 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 52 20.883 -5.873 -0.036 1.00 0.00 H new ATOM 816 N ASP A 53 19.513 -7.492 -1.822 1.00 0.00 N ATOM 817 CA ASP A 53 19.144 -8.230 -3.026 1.00 0.00 C ATOM 818 C ASP A 53 17.765 -7.844 -3.556 1.00 0.00 C ATOM 819 O ASP A 53 17.537 -7.812 -4.765 1.00 0.00 O ATOM 820 CB ASP A 53 19.061 -9.745 -2.732 1.00 0.00 C ATOM 821 CG ASP A 53 20.358 -10.491 -3.028 1.00 0.00 C ATOM 822 OD1 ASP A 53 20.713 -10.560 -4.225 1.00 0.00 O ATOM 823 OD2 ASP A 53 20.942 -11.038 -2.070 1.00 0.00 O ATOM 0 H ASP A 53 19.741 -8.110 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 53 19.915 -7.987 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.798 -9.890 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.257 -10.179 -3.326 1.00 0.00 H new ATOM 828 N GLU A 54 16.809 -7.671 -2.636 1.00 0.00 N ATOM 829 CA GLU A 54 15.474 -7.208 -2.950 1.00 0.00 C ATOM 830 C GLU A 54 15.504 -5.969 -3.834 1.00 0.00 C ATOM 831 O GLU A 54 16.419 -5.172 -3.706 1.00 0.00 O ATOM 832 CB GLU A 54 14.728 -6.833 -1.662 1.00 0.00 C ATOM 833 CG GLU A 54 13.545 -7.764 -1.431 1.00 0.00 C ATOM 834 CD GLU A 54 12.947 -7.582 -0.036 1.00 0.00 C ATOM 835 OE1 GLU A 54 12.157 -6.631 0.139 1.00 0.00 O ATOM 836 OE2 GLU A 54 13.212 -8.459 0.812 1.00 0.00 O ATOM 0 H GLU A 54 16.954 -7.854 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 54 14.972 -8.021 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.410 -6.886 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.378 -5.803 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.779 -7.573 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.865 -8.798 -1.558 1.00 0.00 H new ATOM 843 N ASN A 55 14.420 -5.725 -4.584 1.00 0.00 N ATOM 844 CA ASN A 55 14.437 -4.724 -5.639 1.00 0.00 C ATOM 845 C ASN A 55 15.552 -5.030 -6.637 1.00 0.00 C ATOM 846 O ASN A 55 16.701 -4.656 -6.451 1.00 0.00 O ATOM 847 CB ASN A 55 14.554 -3.311 -5.029 1.00 0.00 C ATOM 848 CG ASN A 55 14.705 -2.245 -6.080 1.00 0.00 C ATOM 849 OD1 ASN A 55 15.755 -1.716 -6.376 1.00 0.00 O ATOM 850 ND2 ASN A 55 13.592 -1.831 -6.619 1.00 0.00 N ATOM 0 H ASN A 55 13.529 -6.209 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 55 13.498 -4.756 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.669 -3.103 -4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.411 -3.278 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.605 -1.062 -7.289 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.708 -2.276 -6.370 1.00 0.00 H new ATOM 857 N GLN A 56 15.208 -5.762 -7.702 1.00 0.00 N ATOM 858 CA GLN A 56 16.178 -6.013 -8.769 1.00 0.00 C ATOM 859 C GLN A 56 16.860 -4.728 -9.234 1.00 0.00 C ATOM 860 O GLN A 56 16.315 -3.651 -9.037 1.00 0.00 O ATOM 861 CB GLN A 56 15.473 -6.681 -9.957 1.00 0.00 C ATOM 862 CG GLN A 56 16.276 -7.888 -10.462 1.00 0.00 C ATOM 863 CD GLN A 56 17.116 -7.630 -11.706 1.00 0.00 C ATOM 864 OE1 GLN A 56 17.343 -6.533 -12.175 1.00 0.00 O ATOM 865 NE2 GLN A 56 17.625 -8.668 -12.307 1.00 0.00 N ATOM 0 H GLN A 56 14.289 -6.181 -7.846 1.00 0.00 H new ATOM 0 HA GLN A 56 16.949 -6.672 -8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.475 -7.002 -9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.348 -5.959 -10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.934 -8.227 -9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.584 -8.703 -10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.454 -9.604 -11.940 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.194 -8.544 -13.144 1.00 0.00 H new ATOM 874 N GLN A 57 17.992 -4.853 -9.918 1.00 0.00 N ATOM 875 CA GLN A 57 18.756 -3.725 -10.421 1.00 0.00 C ATOM 876 C GLN A 57 17.871 -2.617 -10.985 1.00 0.00 C ATOM 877 O GLN A 57 17.191 -2.784 -11.995 1.00 0.00 O ATOM 878 CB GLN A 57 19.757 -4.200 -11.482 1.00 0.00 C ATOM 879 CG GLN A 57 21.184 -3.853 -11.049 1.00 0.00 C ATOM 880 CD GLN A 57 22.237 -4.623 -11.836 1.00 0.00 C ATOM 881 OE1 GLN A 57 22.060 -5.725 -12.324 1.00 0.00 O ATOM 882 NE2 GLN A 57 23.409 -4.057 -11.979 1.00 0.00 N ATOM 0 H GLN A 57 18.408 -5.757 -10.140 1.00 0.00 H new ATOM 0 HA GLN A 57 19.293 -3.298 -9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.664 -5.276 -11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.534 -3.730 -12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 57 21.349 -2.783 -11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.300 -4.068 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 57 23.582 -3.135 -11.580 1.00 0.00 H new ATOM 0 HE22 GLN A 57 24.149 -4.539 -12.490 1.00 0.00 H new ATOM 891 N GLN A 58 17.848 -1.490 -10.284 1.00 0.00 N ATOM 892 CA GLN A 58 17.026 -0.368 -10.661 1.00 0.00 C ATOM 893 C GLN A 58 17.581 0.909 -10.043 1.00 0.00 C ATOM 894 O GLN A 58 18.175 0.907 -8.970 1.00 0.00 O ATOM 895 CB GLN A 58 15.566 -0.598 -10.209 1.00 0.00 C ATOM 896 CG GLN A 58 14.599 -0.148 -11.311 1.00 0.00 C ATOM 897 CD GLN A 58 13.243 0.305 -10.778 1.00 0.00 C ATOM 898 OE1 GLN A 58 12.718 -0.115 -9.755 1.00 0.00 O ATOM 899 NE2 GLN A 58 12.635 1.241 -11.464 1.00 0.00 N ATOM 0 H GLN A 58 18.401 -1.337 -9.441 1.00 0.00 H new ATOM 0 HA GLN A 58 17.037 -0.267 -11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 58 15.408 -1.653 -9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.369 -0.043 -9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.053 0.670 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.450 -0.970 -12.011 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.058 1.603 -12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.739 1.608 -11.143 1.00 0.00 H new ATOM 908 N GLU A 59 17.361 2.025 -10.719 1.00 0.00 N ATOM 909 CA GLU A 59 17.820 3.334 -10.274 1.00 0.00 C ATOM 910 C GLU A 59 16.726 4.080 -9.511 1.00 0.00 C ATOM 911 O GLU A 59 16.171 5.065 -9.967 1.00 0.00 O ATOM 912 CB GLU A 59 18.352 4.137 -11.461 1.00 0.00 C ATOM 913 CG GLU A 59 17.316 4.301 -12.594 1.00 0.00 C ATOM 914 CD GLU A 59 17.085 5.782 -12.933 1.00 0.00 C ATOM 915 OE1 GLU A 59 18.041 6.394 -13.453 1.00 0.00 O ATOM 916 OE2 GLU A 59 15.951 6.274 -12.723 1.00 0.00 O ATOM 0 H GLU A 59 16.853 2.049 -11.603 1.00 0.00 H new ATOM 0 HA GLU A 59 18.642 3.196 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 59 18.663 5.123 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.240 3.644 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.660 3.772 -13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.373 3.843 -12.296 1.00 0.00 H new ATOM 923 N SER A 60 16.376 3.611 -8.321 1.00 0.00 N ATOM 924 CA SER A 60 15.337 4.258 -7.546 1.00 0.00 C ATOM 925 C SER A 60 15.293 3.648 -6.162 1.00 0.00 C ATOM 926 O SER A 60 14.679 2.609 -5.932 1.00 0.00 O ATOM 927 CB SER A 60 13.961 4.134 -8.206 1.00 0.00 C ATOM 928 OG SER A 60 13.114 5.030 -7.476 1.00 0.00 O ATOM 0 H SER A 60 16.794 2.793 -7.878 1.00 0.00 H new ATOM 0 HA SER A 60 15.577 5.320 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.004 4.404 -9.261 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.590 3.110 -8.154 1.00 0.00 H new ATOM 0 HG SER A 60 12.516 5.495 -8.098 1.00 0.00 H new ATOM 934 N GLN A 61 15.936 4.314 -5.213 1.00 0.00 N ATOM 935 CA GLN A 61 15.921 3.858 -3.829 1.00 0.00 C ATOM 936 C GLN A 61 14.506 3.889 -3.225 1.00 0.00 C ATOM 937 O GLN A 61 14.207 3.196 -2.259 1.00 0.00 O ATOM 938 CB GLN A 61 16.856 4.737 -2.983 1.00 0.00 C ATOM 939 CG GLN A 61 16.594 6.238 -3.186 1.00 0.00 C ATOM 940 CD GLN A 61 17.082 7.061 -2.012 1.00 0.00 C ATOM 941 OE1 GLN A 61 18.253 7.142 -1.676 1.00 0.00 O ATOM 942 NE2 GLN A 61 16.169 7.631 -1.265 1.00 0.00 N ATOM 0 H GLN A 61 16.472 5.167 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 61 16.265 2.824 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.729 4.488 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.891 4.514 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.091 6.573 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.526 6.404 -3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.185 7.574 -1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.442 8.132 -0.419 1.00 0.00 H new ATOM 951 N GLN A 62 13.644 4.748 -3.755 1.00 0.00 N ATOM 952 CA GLN A 62 12.296 4.888 -3.264 1.00 0.00 C ATOM 953 C GLN A 62 11.380 3.797 -3.796 1.00 0.00 C ATOM 954 O GLN A 62 10.658 3.169 -3.025 1.00 0.00 O ATOM 955 CB GLN A 62 11.694 6.205 -3.711 1.00 0.00 C ATOM 956 CG GLN A 62 12.549 7.414 -3.312 1.00 0.00 C ATOM 957 CD GLN A 62 12.975 8.208 -4.538 1.00 0.00 C ATOM 958 OE1 GLN A 62 13.645 7.685 -5.417 1.00 0.00 O ATOM 959 NE2 GLN A 62 12.653 9.484 -4.576 1.00 0.00 N ATOM 0 H GLN A 62 13.868 5.363 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 62 12.367 4.828 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.571 6.194 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.699 6.310 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.984 8.056 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.431 7.077 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.093 9.891 -3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.964 10.065 -5.354 1.00 0.00 H new ATOM 968 N LEU A 63 11.417 3.547 -5.103 1.00 0.00 N ATOM 969 CA LEU A 63 10.712 2.419 -5.662 1.00 0.00 C ATOM 970 C LEU A 63 11.131 1.091 -5.057 1.00 0.00 C ATOM 971 O LEU A 63 10.295 0.192 -4.933 1.00 0.00 O ATOM 972 CB LEU A 63 10.950 2.348 -7.177 1.00 0.00 C ATOM 973 CG LEU A 63 9.760 2.710 -8.057 1.00 0.00 C ATOM 974 CD1 LEU A 63 8.525 2.003 -7.521 1.00 0.00 C ATOM 975 CD2 LEU A 63 9.569 4.221 -8.150 1.00 0.00 C ATOM 0 H LEU A 63 11.927 4.112 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 63 9.659 2.578 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.777 3.013 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.268 1.336 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 63 9.943 2.372 -9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.665 2.253 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.686 0.925 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.338 2.323 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.711 4.441 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.396 4.628 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.463 4.675 -8.577 1.00 0.00 H new ATOM 987 N GLN A 64 12.376 0.998 -4.603 1.00 0.00 N ATOM 988 CA GLN A 64 12.849 -0.124 -3.839 1.00 0.00 C ATOM 989 C GLN A 64 12.001 -0.318 -2.589 1.00 0.00 C ATOM 990 O GLN A 64 11.665 -1.448 -2.287 1.00 0.00 O ATOM 991 CB GLN A 64 14.341 0.023 -3.512 1.00 0.00 C ATOM 992 CG GLN A 64 14.793 -0.963 -2.425 1.00 0.00 C ATOM 993 CD GLN A 64 16.284 -1.209 -2.382 1.00 0.00 C ATOM 994 OE1 GLN A 64 17.087 -0.537 -3.008 1.00 0.00 O ATOM 995 NE2 GLN A 64 16.695 -2.147 -1.567 1.00 0.00 N ATOM 0 H GLN A 64 13.085 1.714 -4.763 1.00 0.00 H new ATOM 0 HA GLN A 64 12.745 -1.025 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.928 -0.140 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.541 1.042 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.472 -0.586 -1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.285 -1.915 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.017 -2.704 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.693 -2.321 -1.451 1.00 0.00 H new ATOM 1004 N GLN A 65 11.543 0.736 -1.939 1.00 0.00 N ATOM 1005 CA GLN A 65 10.688 0.634 -0.799 1.00 0.00 C ATOM 1006 C GLN A 65 9.355 0.000 -1.172 1.00 0.00 C ATOM 1007 O GLN A 65 8.909 -0.850 -0.430 1.00 0.00 O ATOM 1008 CB GLN A 65 10.470 2.009 -0.140 1.00 0.00 C ATOM 1009 CG GLN A 65 10.807 1.979 1.355 1.00 0.00 C ATOM 1010 CD GLN A 65 9.992 0.964 2.152 1.00 0.00 C ATOM 1011 OE1 GLN A 65 8.815 1.143 2.433 1.00 0.00 O ATOM 1012 NE2 GLN A 65 10.615 -0.118 2.568 1.00 0.00 N ATOM 0 H GLN A 65 11.765 1.696 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 65 11.182 -0.012 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.090 2.754 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.433 2.317 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.867 1.753 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.643 2.972 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.596 -0.264 2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.116 -0.811 3.127 1.00 0.00 H new ATOM 1021 N CYS A 66 8.767 0.343 -2.311 1.00 0.00 N ATOM 1022 CA CYS A 66 7.542 -0.251 -2.764 1.00 0.00 C ATOM 1023 C CYS A 66 7.768 -1.702 -3.187 1.00 0.00 C ATOM 1024 O CYS A 66 7.049 -2.570 -2.739 1.00 0.00 O ATOM 1025 CB CYS A 66 6.948 0.517 -3.940 1.00 0.00 C ATOM 1026 SG CYS A 66 5.574 -0.369 -4.730 1.00 0.00 S ATOM 0 H CYS A 66 9.141 1.050 -2.944 1.00 0.00 H new ATOM 0 HA CYS A 66 6.843 -0.215 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.597 1.489 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.728 0.703 -4.679 1.00 0.00 H new ATOM 1031 N CYS A 67 8.781 -2.003 -3.983 1.00 0.00 N ATOM 1032 CA CYS A 67 9.088 -3.366 -4.364 1.00 0.00 C ATOM 1033 C CYS A 67 9.374 -4.238 -3.137 1.00 0.00 C ATOM 1034 O CYS A 67 8.906 -5.369 -3.094 1.00 0.00 O ATOM 1035 CB CYS A 67 10.274 -3.390 -5.333 1.00 0.00 C ATOM 1036 SG CYS A 67 10.320 -4.740 -6.545 1.00 0.00 S ATOM 0 H CYS A 67 9.412 -1.307 -4.381 1.00 0.00 H new ATOM 0 HA CYS A 67 8.215 -3.782 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 67 10.286 -2.446 -5.877 1.00 0.00 H new ATOM 0 HB3 CYS A 67 11.191 -3.431 -4.745 1.00 0.00 H new ATOM 1041 N ASN A 68 10.080 -3.691 -2.142 1.00 0.00 N ATOM 1042 CA ASN A 68 10.376 -4.326 -0.869 1.00 0.00 C ATOM 1043 C ASN A 68 9.122 -4.430 0.010 1.00 0.00 C ATOM 1044 O ASN A 68 8.949 -5.365 0.775 1.00 0.00 O ATOM 1045 CB ASN A 68 11.493 -3.560 -0.121 1.00 0.00 C ATOM 1046 CG ASN A 68 12.895 -3.818 -0.678 1.00 0.00 C ATOM 1047 OD1 ASN A 68 13.007 -3.880 -1.979 1.00 0.00 O flip ATOM 1048 ND2 ASN A 68 13.901 -3.865 0.010 1.00 0.00 N flip ATOM 0 H ASN A 68 10.474 -2.753 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 68 10.725 -5.337 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.284 -2.491 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.472 -3.842 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.827 -3.818 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.817 -3.952 -0.431 1.00 0.00 H new ATOM 1055 N GLN A 69 8.200 -3.492 -0.145 1.00 0.00 N ATOM 1056 CA GLN A 69 6.961 -3.425 0.608 1.00 0.00 C ATOM 1057 C GLN A 69 5.933 -4.410 0.079 1.00 0.00 C ATOM 1058 O GLN A 69 5.413 -5.240 0.798 1.00 0.00 O ATOM 1059 CB GLN A 69 6.329 -2.036 0.526 1.00 0.00 C ATOM 1060 CG GLN A 69 6.907 -1.139 1.615 1.00 0.00 C ATOM 1061 CD GLN A 69 6.031 -0.978 2.843 1.00 0.00 C ATOM 1062 OE1 GLN A 69 4.909 -1.431 2.953 1.00 0.00 O ATOM 1063 NE2 GLN A 69 6.485 -0.197 3.785 1.00 0.00 N ATOM 0 H GLN A 69 8.298 -2.734 -0.820 1.00 0.00 H new ATOM 0 HA GLN A 69 7.226 -3.665 1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.516 -1.599 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.248 -2.111 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.871 -1.543 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.097 -0.153 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.424 0.195 3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.901 0.021 4.592 1.00 0.00 H new ATOM 1072 N VAL A 70 5.686 -4.377 -1.221 1.00 0.00 N ATOM 1073 CA VAL A 70 4.873 -5.340 -1.907 1.00 0.00 C ATOM 1074 C VAL A 70 5.430 -6.754 -1.742 1.00 0.00 C ATOM 1075 O VAL A 70 4.717 -7.737 -1.841 1.00 0.00 O ATOM 1076 CB VAL A 70 4.747 -4.994 -3.382 1.00 0.00 C ATOM 1077 CG1 VAL A 70 3.747 -5.945 -4.037 1.00 0.00 C ATOM 1078 CG2 VAL A 70 4.295 -3.544 -3.596 1.00 0.00 C ATOM 0 H VAL A 70 6.061 -3.655 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 70 3.881 -5.309 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 70 5.731 -5.102 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.653 -5.701 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.098 -6.972 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.776 -5.842 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.218 -3.341 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.323 -3.393 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.022 -2.866 -3.149 1.00 0.00 H new ATOM 1088 N LYS A 71 6.715 -6.883 -1.461 1.00 0.00 N ATOM 1089 CA LYS A 71 7.280 -8.174 -1.137 1.00 0.00 C ATOM 1090 C LYS A 71 6.766 -8.775 0.183 1.00 0.00 C ATOM 1091 O LYS A 71 6.927 -9.967 0.404 1.00 0.00 O ATOM 1092 CB LYS A 71 8.809 -8.060 -1.086 1.00 0.00 C ATOM 1093 CG LYS A 71 9.446 -9.321 -1.687 1.00 0.00 C ATOM 1094 CD LYS A 71 9.760 -9.095 -3.171 1.00 0.00 C ATOM 1095 CE LYS A 71 9.522 -10.377 -3.980 1.00 0.00 C ATOM 1096 NZ LYS A 71 10.778 -11.133 -4.182 1.00 0.00 N ATOM 0 H LYS A 71 7.382 -6.111 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 71 6.959 -8.855 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.135 -7.178 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.139 -7.931 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.360 -9.569 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.770 -10.168 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.135 -8.292 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.796 -8.776 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.797 -11.006 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.090 -10.123 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.581 -11.993 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.460 -10.541 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.177 -11.397 -3.258 1.00 0.00 H new ATOM 1110 N GLN A 72 6.153 -7.956 1.019 1.00 0.00 N ATOM 1111 CA GLN A 72 5.499 -8.330 2.241 1.00 0.00 C ATOM 1112 C GLN A 72 4.009 -8.576 2.026 1.00 0.00 C ATOM 1113 O GLN A 72 3.323 -8.935 2.973 1.00 0.00 O ATOM 1114 CB GLN A 72 5.799 -7.278 3.332 1.00 0.00 C ATOM 1115 CG GLN A 72 7.091 -7.629 4.072 1.00 0.00 C ATOM 1116 CD GLN A 72 6.811 -8.538 5.265 1.00 0.00 C ATOM 1117 OE1 GLN A 72 6.406 -8.139 6.345 1.00 0.00 O ATOM 1118 NE2 GLN A 72 6.928 -9.829 5.094 1.00 0.00 N ATOM 0 H GLN A 72 6.101 -6.953 0.844 1.00 0.00 H new ATOM 0 HA GLN A 72 5.898 -9.282 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.889 -6.291 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.970 -7.230 4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.782 -8.123 3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.578 -6.715 4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 72 7.263 -10.197 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.684 -10.468 5.851 1.00 0.00 H new ATOM 1127 N VAL A 73 3.499 -8.431 0.810 1.00 0.00 N ATOM 1128 CA VAL A 73 2.099 -8.659 0.513 1.00 0.00 C ATOM 1129 C VAL A 73 1.741 -10.107 0.770 1.00 0.00 C ATOM 1130 O VAL A 73 2.555 -10.981 0.498 1.00 0.00 O ATOM 1131 CB VAL A 73 1.785 -8.246 -0.924 1.00 0.00 C ATOM 1132 CG1 VAL A 73 0.434 -8.713 -1.431 1.00 0.00 C ATOM 1133 CG2 VAL A 73 1.851 -6.723 -1.019 1.00 0.00 C ATOM 0 H VAL A 73 4.052 -8.150 0.000 1.00 0.00 H new ATOM 0 HA VAL A 73 1.488 -8.042 1.172 1.00 0.00 H new ATOM 0 HB VAL A 73 2.529 -8.732 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.294 -8.376 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.389 -9.802 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.354 -8.298 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.629 -6.412 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.121 -6.284 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.850 -6.384 -0.746 1.00 0.00 H new ATOM 1143 N ARG A 74 0.529 -10.311 1.288 1.00 0.00 N ATOM 1144 CA ARG A 74 -0.024 -11.635 1.517 1.00 0.00 C ATOM 1145 C ARG A 74 -0.009 -12.446 0.260 1.00 0.00 C ATOM 1146 O ARG A 74 0.829 -13.314 0.245 1.00 0.00 O ATOM 1147 CB ARG A 74 -1.410 -11.626 2.159 1.00 0.00 C ATOM 1148 CG ARG A 74 -1.429 -10.678 3.345 1.00 0.00 C ATOM 1149 CD ARG A 74 -0.222 -10.888 4.268 1.00 0.00 C ATOM 1150 NE ARG A 74 -0.619 -10.776 5.680 1.00 0.00 N ATOM 1151 CZ ARG A 74 -1.162 -11.742 6.393 1.00 0.00 C ATOM 1152 NH1 ARG A 74 -1.349 -12.933 5.906 1.00 0.00 N ATOM 1153 NH2 ARG A 74 -1.507 -11.519 7.619 1.00 0.00 N ATOM 0 H ARG A 74 -0.096 -9.553 1.560 1.00 0.00 H new ATOM 0 HA ARG A 74 0.630 -12.110 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.157 -11.320 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.676 -12.632 2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.436 -9.649 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.349 -10.825 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.215 -11.870 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.547 -10.150 4.042 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.462 -9.881 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.073 -13.141 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.772 -13.660 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.359 -10.598 8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.928 -12.264 8.174 1.00 0.00 H new ATOM 1167 N ASP A 75 -0.895 -12.116 -0.685 1.00 0.00 N ATOM 1168 CA ASP A 75 -1.139 -12.802 -1.956 1.00 0.00 C ATOM 1169 C ASP A 75 -2.313 -12.122 -2.663 1.00 0.00 C ATOM 1170 O ASP A 75 -2.136 -11.176 -3.440 1.00 0.00 O ATOM 1171 CB ASP A 75 -1.491 -14.270 -1.731 1.00 0.00 C ATOM 1172 CG ASP A 75 -0.186 -15.124 -1.421 1.00 0.00 C ATOM 1173 OD1 ASP A 75 0.855 -14.752 -2.041 1.00 0.00 O ATOM 1174 OD2 ASP A 75 -0.299 -16.073 -0.595 1.00 0.00 O ATOM 0 H ASP A 75 -1.503 -11.305 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.233 -12.749 -2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.193 -14.357 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.990 -14.668 -2.614 1.00 0.00 H new ATOM 1179 N GLU A 76 -3.543 -12.517 -2.317 1.00 0.00 N ATOM 1180 CA GLU A 76 -4.785 -11.970 -2.857 1.00 0.00 C ATOM 1181 C GLU A 76 -5.162 -10.616 -2.265 1.00 0.00 C ATOM 1182 O GLU A 76 -6.094 -9.936 -2.696 1.00 0.00 O ATOM 1183 CB GLU A 76 -5.938 -12.983 -2.714 1.00 0.00 C ATOM 1184 CG GLU A 76 -6.382 -13.184 -1.265 1.00 0.00 C ATOM 1185 CD GLU A 76 -7.885 -13.450 -1.161 1.00 0.00 C ATOM 1186 OE1 GLU A 76 -8.649 -12.524 -1.510 1.00 0.00 O ATOM 1187 OE2 GLU A 76 -8.260 -14.524 -0.647 1.00 0.00 O ATOM 0 H GLU A 76 -3.703 -13.253 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.604 -11.791 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.788 -12.642 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.625 -13.941 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.834 -14.020 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.129 -12.299 -0.681 1.00 0.00 H new ATOM 1194 N CYS A 77 -4.354 -10.177 -1.319 1.00 0.00 N ATOM 1195 CA CYS A 77 -4.493 -8.889 -0.729 1.00 0.00 C ATOM 1196 C CYS A 77 -3.825 -7.814 -1.591 1.00 0.00 C ATOM 1197 O CYS A 77 -4.034 -6.645 -1.313 1.00 0.00 O ATOM 1198 CB CYS A 77 -3.955 -8.945 0.694 1.00 0.00 C ATOM 1199 SG CYS A 77 -4.841 -10.105 1.769 1.00 0.00 S ATOM 0 H CYS A 77 -3.578 -10.723 -0.944 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.544 -8.605 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.902 -9.225 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.007 -7.948 1.131 1.00 0.00 H new ATOM 1204 N GLN A 78 -3.157 -8.168 -2.695 1.00 0.00 N ATOM 1205 CA GLN A 78 -2.542 -7.240 -3.624 1.00 0.00 C ATOM 1206 C GLN A 78 -3.548 -6.194 -4.094 1.00 0.00 C ATOM 1207 O GLN A 78 -3.384 -4.993 -3.876 1.00 0.00 O ATOM 1208 CB GLN A 78 -1.984 -8.013 -4.840 1.00 0.00 C ATOM 1209 CG GLN A 78 -0.537 -8.426 -4.616 1.00 0.00 C ATOM 1210 CD GLN A 78 0.066 -9.305 -5.693 1.00 0.00 C ATOM 1211 OE1 GLN A 78 1.334 -9.619 -5.567 1.00 0.00 O flip ATOM 1212 NE2 GLN A 78 -0.485 -9.572 -6.739 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.031 -9.143 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.728 -6.728 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.593 -8.898 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.053 -7.390 -5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.070 -7.525 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.471 -8.952 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.470 -9.342 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.036 -10.027 -7.488 1.00 0.00 H new ATOM 1221 N CYS A 79 -4.560 -6.624 -4.834 1.00 0.00 N ATOM 1222 CA CYS A 79 -5.572 -5.713 -5.303 1.00 0.00 C ATOM 1223 C CYS A 79 -6.269 -5.021 -4.151 1.00 0.00 C ATOM 1224 O CYS A 79 -6.235 -3.795 -4.141 1.00 0.00 O ATOM 1225 CB CYS A 79 -6.649 -6.404 -6.121 1.00 0.00 C ATOM 1226 SG CYS A 79 -6.618 -6.171 -7.889 1.00 0.00 S ATOM 0 H CYS A 79 -4.694 -7.595 -5.117 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.040 -4.995 -5.927 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.588 -7.474 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -7.618 -6.066 -5.754 1.00 0.00 H new ATOM 1231 N GLU A 80 -6.851 -5.775 -3.205 1.00 0.00 N ATOM 1232 CA GLU A 80 -7.477 -5.262 -1.982 1.00 0.00 C ATOM 1233 C GLU A 80 -6.668 -4.119 -1.363 1.00 0.00 C ATOM 1234 O GLU A 80 -7.266 -3.153 -0.903 1.00 0.00 O ATOM 1235 CB GLU A 80 -7.667 -6.414 -0.977 1.00 0.00 C ATOM 1236 CG GLU A 80 -8.324 -5.924 0.316 1.00 0.00 C ATOM 1237 CD GLU A 80 -8.126 -6.819 1.536 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -8.255 -8.057 1.491 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -7.977 -6.214 2.620 1.00 0.00 O ATOM 0 H GLU A 80 -6.899 -6.791 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.452 -4.851 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.282 -7.194 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.700 -6.863 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.934 -4.933 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.394 -5.812 0.139 1.00 0.00 H new ATOM 1246 N ALA A 81 -5.350 -4.207 -1.424 1.00 0.00 N ATOM 1247 CA ALA A 81 -4.480 -3.180 -0.968 1.00 0.00 C ATOM 1248 C ALA A 81 -4.637 -1.897 -1.758 1.00 0.00 C ATOM 1249 O ALA A 81 -4.934 -0.886 -1.163 1.00 0.00 O ATOM 1250 CB ALA A 81 -3.036 -3.626 -1.065 1.00 0.00 C ATOM 0 H ALA A 81 -4.862 -5.019 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.752 -2.985 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.384 -2.827 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.887 -4.514 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.796 -3.858 -2.103 1.00 0.00 H new ATOM 1256 N ILE A 82 -4.510 -1.925 -3.073 1.00 0.00 N ATOM 1257 CA ILE A 82 -4.811 -0.786 -3.913 1.00 0.00 C ATOM 1258 C ILE A 82 -6.235 -0.298 -3.677 1.00 0.00 C ATOM 1259 O ILE A 82 -6.497 0.896 -3.735 1.00 0.00 O ATOM 1260 CB ILE A 82 -4.591 -1.123 -5.387 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -3.133 -1.546 -5.599 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -4.939 0.025 -6.353 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -2.110 -0.496 -5.181 1.00 0.00 C ATOM 0 H ILE A 82 -4.193 -2.746 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.128 0.020 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.277 -1.937 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.947 -2.462 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.985 -1.782 -6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.755 -0.294 -7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.990 0.291 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.318 0.892 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.104 -0.875 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.266 0.414 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.227 -0.276 -4.120 1.00 0.00 H new ATOM 1275 N LYS A 83 -7.166 -1.183 -3.351 1.00 0.00 N ATOM 1276 CA LYS A 83 -8.531 -0.769 -3.078 1.00 0.00 C ATOM 1277 C LYS A 83 -8.668 0.043 -1.792 1.00 0.00 C ATOM 1278 O LYS A 83 -9.718 0.625 -1.543 1.00 0.00 O ATOM 1279 CB LYS A 83 -9.480 -1.978 -3.174 1.00 0.00 C ATOM 1280 CG LYS A 83 -9.277 -2.778 -4.478 1.00 0.00 C ATOM 1281 CD LYS A 83 -8.983 -1.913 -5.727 1.00 0.00 C ATOM 1282 CE LYS A 83 -10.110 -0.887 -5.947 1.00 0.00 C ATOM 1283 NZ LYS A 83 -9.624 0.518 -6.065 1.00 0.00 N ATOM 0 H LYS A 83 -7.001 -2.186 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.837 -0.065 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.317 -2.634 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.512 -1.632 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.453 -3.477 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.171 -3.373 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.031 -1.396 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.887 -2.552 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.658 -1.150 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.815 -0.950 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.124 1.117 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.602 0.549 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.806 0.869 -7.027 1.00 0.00 H new ATOM 1297 N TYR A 84 -7.625 -0.002 -0.983 1.00 0.00 N ATOM 1298 CA TYR A 84 -7.452 0.602 0.301 1.00 0.00 C ATOM 1299 C TYR A 84 -6.510 1.782 0.172 1.00 0.00 C ATOM 1300 O TYR A 84 -6.945 2.906 0.253 1.00 0.00 O ATOM 1301 CB TYR A 84 -6.892 -0.443 1.273 1.00 0.00 C ATOM 1302 CG TYR A 84 -6.586 0.130 2.610 1.00 0.00 C ATOM 1303 CD1 TYR A 84 -7.642 0.451 3.466 1.00 0.00 C ATOM 1304 CD2 TYR A 84 -5.263 0.422 2.970 1.00 0.00 C ATOM 1305 CE1 TYR A 84 -7.392 0.935 4.763 1.00 0.00 C ATOM 1306 CE2 TYR A 84 -5.019 1.040 4.219 1.00 0.00 C ATOM 1307 CZ TYR A 84 -6.079 1.268 5.139 1.00 0.00 C ATOM 1308 OH TYR A 84 -5.882 1.812 6.346 1.00 0.00 O ATOM 0 H TYR A 84 -6.792 -0.525 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.406 0.961 0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.612 -1.253 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.986 -0.878 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.660 0.326 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.446 0.180 2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.204 1.050 5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.015 1.342 4.477 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.565 1.484 6.968 1.00 0.00 H new ATOM 1318 N ILE A 85 -5.229 1.547 -0.059 1.00 0.00 N ATOM 1319 CA ILE A 85 -4.222 2.569 -0.146 1.00 0.00 C ATOM 1320 C ILE A 85 -4.553 3.583 -1.233 1.00 0.00 C ATOM 1321 O ILE A 85 -4.556 4.766 -0.928 1.00 0.00 O ATOM 1322 CB ILE A 85 -2.823 1.973 -0.320 1.00 0.00 C ATOM 1323 CG1 ILE A 85 -1.740 3.030 -0.087 1.00 0.00 C ATOM 1324 CG2 ILE A 85 -2.609 1.347 -1.699 1.00 0.00 C ATOM 1325 CD1 ILE A 85 -1.859 3.720 1.271 1.00 0.00 C ATOM 0 H ILE A 85 -4.859 0.606 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.217 3.106 0.802 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.744 1.184 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.759 2.560 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.797 3.780 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.599 0.942 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.332 0.545 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.743 2.107 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.063 4.458 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.826 4.217 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.772 2.978 2.065 1.00 0.00 H new ATOM 1337 N ALA A 86 -4.848 3.130 -2.452 1.00 0.00 N ATOM 1338 CA ALA A 86 -5.220 3.927 -3.606 1.00 0.00 C ATOM 1339 C ALA A 86 -6.683 4.361 -3.529 1.00 0.00 C ATOM 1340 O ALA A 86 -7.448 4.190 -4.467 1.00 0.00 O ATOM 1341 CB ALA A 86 -4.905 3.154 -4.891 1.00 0.00 C ATOM 0 H ALA A 86 -4.830 2.133 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.630 4.843 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.186 3.756 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.838 2.936 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.467 2.220 -4.901 1.00 0.00 H new ATOM 1347 N GLU A 87 -7.069 4.848 -2.359 1.00 0.00 N ATOM 1348 CA GLU A 87 -8.409 5.269 -2.031 1.00 0.00 C ATOM 1349 C GLU A 87 -8.474 6.007 -0.683 1.00 0.00 C ATOM 1350 O GLU A 87 -9.012 7.101 -0.603 1.00 0.00 O ATOM 1351 CB GLU A 87 -9.347 4.059 -1.978 1.00 0.00 C ATOM 1352 CG GLU A 87 -10.757 4.514 -2.372 1.00 0.00 C ATOM 1353 CD GLU A 87 -10.824 4.932 -3.850 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -10.922 4.009 -4.701 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -10.784 6.163 -4.094 1.00 0.00 O ATOM 0 H GLU A 87 -6.420 4.963 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.723 5.959 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.998 3.280 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.354 3.630 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.465 3.706 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.059 5.351 -1.742 1.00 0.00 H new ATOM 1362 N ASP A 88 -7.851 5.475 0.354 1.00 0.00 N ATOM 1363 CA ASP A 88 -7.822 6.058 1.674 1.00 0.00 C ATOM 1364 C ASP A 88 -7.221 7.452 1.569 1.00 0.00 C ATOM 1365 O ASP A 88 -7.864 8.433 1.902 1.00 0.00 O ATOM 1366 CB ASP A 88 -6.946 5.236 2.644 1.00 0.00 C ATOM 1367 CG ASP A 88 -7.585 5.000 4.009 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -8.569 4.243 4.067 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -6.981 5.473 5.000 1.00 0.00 O ATOM 0 H ASP A 88 -7.336 4.597 0.293 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.842 6.080 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.723 4.272 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.995 5.751 2.783 1.00 0.00 H new ATOM 1374 N GLN A 89 -6.049 7.575 0.943 1.00 0.00 N ATOM 1375 CA GLN A 89 -5.418 8.857 0.700 1.00 0.00 C ATOM 1376 C GLN A 89 -6.274 9.806 -0.152 1.00 0.00 C ATOM 1377 O GLN A 89 -6.039 11.011 -0.126 1.00 0.00 O ATOM 1378 CB GLN A 89 -4.058 8.661 0.037 1.00 0.00 C ATOM 1379 CG GLN A 89 -4.165 7.999 -1.341 1.00 0.00 C ATOM 1380 CD GLN A 89 -2.840 7.998 -2.075 1.00 0.00 C ATOM 1381 OE1 GLN A 89 -2.708 8.406 -3.206 1.00 0.00 O ATOM 1382 NE2 GLN A 89 -1.776 7.643 -1.419 1.00 0.00 N ATOM 0 H GLN A 89 -5.515 6.780 0.592 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.298 9.327 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.565 9.628 -0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.428 8.049 0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.515 6.973 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.910 8.524 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.858 7.295 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.859 7.712 -1.859 1.00 0.00 H new ATOM 1391 N ILE A 90 -7.215 9.270 -0.915 1.00 0.00 N ATOM 1392 CA ILE A 90 -8.127 10.007 -1.749 1.00 0.00 C ATOM 1393 C ILE A 90 -9.207 10.657 -0.885 1.00 0.00 C ATOM 1394 O ILE A 90 -9.470 11.857 -0.964 1.00 0.00 O ATOM 1395 CB ILE A 90 -8.731 9.098 -2.852 1.00 0.00 C ATOM 1396 CG1 ILE A 90 -7.640 8.236 -3.529 1.00 0.00 C ATOM 1397 CG2 ILE A 90 -9.426 9.940 -3.904 1.00 0.00 C ATOM 1398 CD1 ILE A 90 -6.445 9.016 -4.025 1.00 0.00 C ATOM 0 H ILE A 90 -7.363 8.262 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.582 10.800 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.453 8.436 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.298 7.483 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.085 7.703 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.845 9.290 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.227 10.515 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.707 10.621 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.730 8.333 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.770 9.751 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.971 9.527 -3.187 1.00 0.00 H new ATOM 1410 N GLN A 91 -9.757 9.880 0.033 1.00 0.00 N ATOM 1411 CA GLN A 91 -10.697 10.391 0.993 1.00 0.00 C ATOM 1412 C GLN A 91 -10.044 11.243 2.082 1.00 0.00 C ATOM 1413 O GLN A 91 -10.622 12.259 2.459 1.00 0.00 O ATOM 1414 CB GLN A 91 -11.489 9.230 1.590 1.00 0.00 C ATOM 1415 CG GLN A 91 -12.756 9.013 0.753 1.00 0.00 C ATOM 1416 CD GLN A 91 -13.425 7.675 1.021 1.00 0.00 C ATOM 1417 OE1 GLN A 91 -13.007 6.839 1.796 1.00 0.00 O ATOM 1418 NE2 GLN A 91 -14.558 7.448 0.407 1.00 0.00 N ATOM 0 H GLN A 91 -9.560 8.884 0.127 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.375 11.064 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.883 8.324 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.753 9.446 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.464 9.815 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.502 9.080 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.929 8.135 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.070 6.584 0.584 1.00 0.00 H new ATOM 1427 N GLN A 92 -8.853 10.867 2.531 1.00 0.00 N ATOM 1428 CA GLN A 92 -8.094 11.518 3.577 1.00 0.00 C ATOM 1429 C GLN A 92 -7.454 12.803 3.092 1.00 0.00 C ATOM 1430 O GLN A 92 -7.610 13.856 3.698 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.994 10.591 4.149 1.00 0.00 C ATOM 1432 CG GLN A 92 -7.023 10.609 5.681 1.00 0.00 C ATOM 1433 CD GLN A 92 -6.689 9.254 6.266 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -7.101 8.225 5.799 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -5.949 9.198 7.341 1.00 0.00 N ATOM 0 H GLN A 92 -8.369 10.054 2.150 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.807 11.753 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.143 9.573 3.788 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.016 10.915 3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.312 11.349 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.011 10.919 6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.587 10.056 7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -5.733 8.296 7.765 1.00 0.00 H new ATOM 1444 N GLY A 93 -6.671 12.694 2.029 1.00 0.00 N ATOM 1445 CA GLY A 93 -6.085 13.824 1.353 1.00 0.00 C ATOM 1446 C GLY A 93 -7.133 14.764 0.765 1.00 0.00 C ATOM 1447 O GLY A 93 -8.334 14.502 0.781 1.00 0.00 O ATOM 0 H GLY A 93 -6.425 11.797 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.459 14.377 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.433 13.468 0.555 1.00 0.00 H new ATOM 1451 N GLN A 94 -6.668 15.839 0.144 1.00 0.00 N ATOM 1452 CA GLN A 94 -7.548 16.805 -0.488 1.00 0.00 C ATOM 1453 C GLN A 94 -8.092 16.349 -1.858 1.00 0.00 C ATOM 1454 O GLN A 94 -8.456 17.157 -2.696 1.00 0.00 O ATOM 1455 CB GLN A 94 -6.876 18.184 -0.486 1.00 0.00 C ATOM 1456 CG GLN A 94 -7.683 19.172 0.376 1.00 0.00 C ATOM 1457 CD GLN A 94 -6.784 20.034 1.243 1.00 0.00 C ATOM 1458 OE1 GLN A 94 -5.737 20.519 0.853 1.00 0.00 O ATOM 1459 NE2 GLN A 94 -7.156 20.210 2.488 1.00 0.00 N ATOM 0 H GLN A 94 -5.676 16.063 0.066 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.458 16.887 0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.860 18.100 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.799 18.560 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.284 19.811 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.376 18.618 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.032 19.806 2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.570 20.751 3.124 1.00 0.00 H new ATOM 1468 N LEU A 95 -8.214 15.050 -2.095 1.00 0.00 N ATOM 1469 CA LEU A 95 -8.496 14.516 -3.398 1.00 0.00 C ATOM 1470 C LEU A 95 -9.989 14.327 -3.597 1.00 0.00 C ATOM 1471 O LEU A 95 -10.558 13.298 -3.256 1.00 0.00 O ATOM 1472 CB LEU A 95 -7.743 13.209 -3.599 1.00 0.00 C ATOM 1473 CG LEU A 95 -6.228 13.295 -3.781 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -5.942 13.834 -5.167 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -5.509 14.203 -2.795 1.00 0.00 C ATOM 0 H LEU A 95 -8.117 14.338 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.155 15.229 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.944 12.568 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.160 12.710 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.856 12.284 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.864 13.903 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.369 13.164 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.386 14.824 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.440 14.196 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.891 15.219 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.680 13.845 -1.780 1.00 0.00 H new ATOM 1487 N HIS A 96 -10.650 15.361 -4.095 1.00 0.00 N ATOM 1488 CA HIS A 96 -12.096 15.362 -4.249 1.00 0.00 C ATOM 1489 C HIS A 96 -12.516 16.244 -5.420 1.00 0.00 C ATOM 1490 O HIS A 96 -11.721 17.006 -5.941 1.00 0.00 O ATOM 1491 CB HIS A 96 -12.758 15.838 -2.924 1.00 0.00 C ATOM 1492 CG HIS A 96 -12.485 14.988 -1.695 1.00 0.00 C ATOM 1493 ND1 HIS A 96 -11.382 15.041 -0.881 1.00 0.00 N flip ATOM 1494 CD2 HIS A 96 -13.271 13.943 -1.255 1.00 0.00 C flip ATOM 1495 CE1 HIS A 96 -11.471 14.002 0.022 1.00 0.00 C flip ATOM 1496 NE2 HIS A 96 -12.643 13.364 -0.204 1.00 0.00 N flip ATOM 0 H HIS A 96 -10.199 16.222 -4.403 1.00 0.00 H new ATOM 0 HA HIS A 96 -12.433 14.348 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.422 16.855 -2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -13.836 15.883 -3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -14.219 13.640 -1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.739 13.744 0.773 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -12.997 12.572 0.332 1.00 0.00 H new ATOM 1505 N GLY A 97 -13.769 16.155 -5.840 1.00 0.00 N ATOM 1506 CA GLY A 97 -14.257 16.924 -6.981 1.00 0.00 C ATOM 1507 C GLY A 97 -13.864 16.264 -8.293 1.00 0.00 C ATOM 1508 O GLY A 97 -14.670 15.537 -8.852 1.00 0.00 O ATOM 0 H GLY A 97 -14.471 15.555 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -15.342 17.014 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.851 17.935 -6.943 1.00 0.00 H new ATOM 1512 N GLU A 98 -12.621 16.460 -8.729 1.00 0.00 N ATOM 1513 CA GLU A 98 -12.079 15.898 -9.974 1.00 0.00 C ATOM 1514 C GLU A 98 -10.545 15.951 -9.984 1.00 0.00 C ATOM 1515 O GLU A 98 -9.864 16.152 -10.982 1.00 0.00 O ATOM 1516 CB GLU A 98 -12.684 16.618 -11.190 1.00 0.00 C ATOM 1517 CG GLU A 98 -12.502 15.772 -12.460 1.00 0.00 C ATOM 1518 CD GLU A 98 -13.265 16.405 -13.617 1.00 0.00 C ATOM 1519 OE1 GLU A 98 -14.478 16.124 -13.739 1.00 0.00 O ATOM 1520 OE2 GLU A 98 -12.636 17.191 -14.362 1.00 0.00 O ATOM 0 H GLU A 98 -11.944 17.026 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.360 14.847 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.744 16.805 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.206 17.589 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.443 15.696 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.862 14.758 -12.287 1.00 0.00 H new ATOM 1527 N GLU A 99 -9.963 15.795 -8.815 1.00 0.00 N ATOM 1528 CA GLU A 99 -8.533 15.801 -8.669 1.00 0.00 C ATOM 1529 C GLU A 99 -8.073 14.477 -8.060 1.00 0.00 C ATOM 1530 O GLU A 99 -6.896 14.213 -7.932 1.00 0.00 O ATOM 1531 CB GLU A 99 -8.111 17.045 -7.895 1.00 0.00 C ATOM 1532 CG GLU A 99 -8.415 16.921 -6.414 1.00 0.00 C ATOM 1533 CD GLU A 99 -8.018 18.199 -5.685 1.00 0.00 C ATOM 1534 OE1 GLU A 99 -8.696 19.222 -5.878 1.00 0.00 O ATOM 1535 OE2 GLU A 99 -6.922 18.170 -5.075 1.00 0.00 O ATOM 0 H GLU A 99 -10.472 15.661 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.032 15.867 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.043 17.214 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.626 17.916 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.478 16.726 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.875 16.072 -5.995 1.00 0.00 H new ATOM 1542 N SER A 100 -8.968 13.587 -7.694 1.00 0.00 N ATOM 1543 CA SER A 100 -8.611 12.284 -7.180 1.00 0.00 C ATOM 1544 C SER A 100 -8.082 11.337 -8.244 1.00 0.00 C ATOM 1545 O SER A 100 -7.207 10.514 -7.970 1.00 0.00 O ATOM 1546 CB SER A 100 -9.822 11.696 -6.489 1.00 0.00 C ATOM 1547 OG SER A 100 -10.955 11.841 -7.317 1.00 0.00 O ATOM 0 H SER A 100 -9.974 13.749 -7.745 1.00 0.00 H new ATOM 0 HA SER A 100 -7.789 12.414 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.652 10.642 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.989 12.198 -5.536 1.00 0.00 H new ATOM 0 HG SER A 100 -11.738 11.458 -6.869 1.00 0.00 H new ATOM 1553 N GLU A 101 -8.498 11.543 -9.487 1.00 0.00 N ATOM 1554 CA GLU A 101 -8.055 10.723 -10.604 1.00 0.00 C ATOM 1555 C GLU A 101 -6.585 11.012 -10.956 1.00 0.00 C ATOM 1556 O GLU A 101 -5.824 10.133 -11.372 1.00 0.00 O ATOM 1557 CB GLU A 101 -8.951 10.995 -11.823 1.00 0.00 C ATOM 1558 CG GLU A 101 -8.928 9.784 -12.771 1.00 0.00 C ATOM 1559 CD GLU A 101 -10.261 9.037 -12.719 1.00 0.00 C ATOM 1560 OE1 GLU A 101 -11.242 9.614 -13.232 1.00 0.00 O ATOM 1561 OE2 GLU A 101 -10.282 7.944 -12.113 1.00 0.00 O ATOM 0 H GLU A 101 -9.151 12.282 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.132 9.674 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.972 11.194 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.605 11.885 -12.348 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.730 10.116 -13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.117 9.112 -12.492 1.00 0.00 H new ATOM 1568 N ARG A 102 -6.142 12.244 -10.687 1.00 0.00 N ATOM 1569 CA ARG A 102 -4.754 12.619 -10.891 1.00 0.00 C ATOM 1570 C ARG A 102 -3.820 11.873 -9.937 1.00 0.00 C ATOM 1571 O ARG A 102 -2.627 11.831 -10.187 1.00 0.00 O ATOM 1572 CB ARG A 102 -4.570 14.131 -10.748 1.00 0.00 C ATOM 1573 CG ARG A 102 -4.363 14.543 -9.288 1.00 0.00 C ATOM 1574 CD ARG A 102 -4.858 15.927 -8.974 1.00 0.00 C ATOM 1575 NE ARG A 102 -4.666 16.218 -7.533 1.00 0.00 N ATOM 1576 CZ ARG A 102 -4.645 17.413 -6.983 1.00 0.00 C ATOM 1577 NH1 ARG A 102 -4.771 18.466 -7.727 1.00 0.00 N ATOM 1578 NH2 ARG A 102 -4.433 17.546 -5.718 1.00 0.00 N ATOM 0 H ARG A 102 -6.732 12.994 -10.327 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.487 12.332 -11.908 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.713 14.451 -11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.444 14.643 -11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.874 13.829 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.301 14.484 -9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.321 16.660 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.913 16.013 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.539 15.419 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.886 18.367 -8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.755 19.394 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.280 16.722 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.418 18.476 -5.298 1.00 0.00 H new ATOM 1592 N VAL A 103 -4.321 11.436 -8.795 1.00 0.00 N ATOM 1593 CA VAL A 103 -3.551 10.692 -7.830 1.00 0.00 C ATOM 1594 C VAL A 103 -3.510 9.225 -8.227 1.00 0.00 C ATOM 1595 O VAL A 103 -2.498 8.574 -8.003 1.00 0.00 O ATOM 1596 CB VAL A 103 -4.132 10.907 -6.432 1.00 0.00 C ATOM 1597 CG1 VAL A 103 -3.874 9.752 -5.510 1.00 0.00 C ATOM 1598 CG2 VAL A 103 -3.461 12.146 -5.807 1.00 0.00 C ATOM 0 H VAL A 103 -5.289 11.593 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.522 11.050 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.210 11.023 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.309 9.962 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.325 8.850 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.799 9.604 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.865 12.314 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.385 11.983 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.658 13.019 -6.429 1.00 0.00 H new ATOM 1608 N ALA A 104 -4.540 8.748 -8.915 1.00 0.00 N ATOM 1609 CA ALA A 104 -4.597 7.391 -9.398 1.00 0.00 C ATOM 1610 C ALA A 104 -3.519 7.137 -10.468 1.00 0.00 C ATOM 1611 O ALA A 104 -2.813 6.137 -10.460 1.00 0.00 O ATOM 1612 CB ALA A 104 -5.996 7.135 -9.978 1.00 0.00 C ATOM 0 H ALA A 104 -5.362 9.304 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.405 6.707 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.055 6.111 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.745 7.283 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.182 7.828 -10.798 1.00 0.00 H new ATOM 1618 N GLN A 105 -3.332 8.088 -11.379 1.00 0.00 N ATOM 1619 CA GLN A 105 -2.272 7.978 -12.379 1.00 0.00 C ATOM 1620 C GLN A 105 -0.875 7.963 -11.754 1.00 0.00 C ATOM 1621 O GLN A 105 -0.015 7.194 -12.177 1.00 0.00 O ATOM 1622 CB GLN A 105 -2.359 9.108 -13.414 1.00 0.00 C ATOM 1623 CG GLN A 105 -2.344 10.483 -12.763 1.00 0.00 C ATOM 1624 CD GLN A 105 -2.149 11.663 -13.683 1.00 0.00 C ATOM 1625 OE1 GLN A 105 -2.221 11.605 -14.893 1.00 0.00 O ATOM 1626 NE2 GLN A 105 -1.875 12.811 -13.106 1.00 0.00 N ATOM 0 H GLN A 105 -3.894 8.936 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.428 7.022 -12.878 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.523 9.027 -14.109 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.272 8.994 -13.999 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.285 10.618 -12.230 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.550 10.498 -12.016 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.813 12.869 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.725 13.644 -13.674 1.00 0.00 H new ATOM 1635 N ARG A 106 -0.684 8.767 -10.706 1.00 0.00 N ATOM 1636 CA ARG A 106 0.566 8.818 -9.984 1.00 0.00 C ATOM 1637 C ARG A 106 0.872 7.484 -9.322 1.00 0.00 C ATOM 1638 O ARG A 106 2.028 7.157 -9.097 1.00 0.00 O ATOM 1639 CB ARG A 106 0.512 9.908 -8.915 1.00 0.00 C ATOM 1640 CG ARG A 106 1.276 11.191 -9.267 1.00 0.00 C ATOM 1641 CD ARG A 106 0.316 12.293 -9.648 1.00 0.00 C ATOM 1642 NE ARG A 106 -0.429 12.807 -8.466 1.00 0.00 N ATOM 1643 CZ ARG A 106 -0.966 13.999 -8.340 1.00 0.00 C ATOM 1644 NH1 ARG A 106 -0.920 14.837 -9.326 1.00 0.00 N ATOM 1645 NH2 ARG A 106 -1.594 14.354 -7.260 1.00 0.00 N ATOM 0 H ARG A 106 -1.399 9.397 -10.342 1.00 0.00 H new ATOM 0 HA ARG A 106 1.355 9.043 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.531 10.163 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.914 9.506 -7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.881 11.506 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.962 10.998 -10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.866 13.110 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.390 11.920 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.533 12.170 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.467 14.571 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.337 15.763 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.680 13.700 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.001 15.287 -7.190 1.00 0.00 H new ATOM 1659 N ALA A 107 -0.161 6.743 -8.943 1.00 0.00 N ATOM 1660 CA ALA A 107 -0.015 5.428 -8.369 1.00 0.00 C ATOM 1661 C ALA A 107 0.484 4.454 -9.419 1.00 0.00 C ATOM 1662 O ALA A 107 1.495 3.795 -9.193 1.00 0.00 O ATOM 1663 CB ALA A 107 -1.352 5.003 -7.796 1.00 0.00 C ATOM 0 H ALA A 107 -1.130 7.048 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 107 0.722 5.440 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.260 4.009 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.661 5.712 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.098 4.981 -8.590 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.165 4.463 -10.582 1.00 0.00 N ATOM 1670 CA GLY A 108 0.186 3.662 -11.734 1.00 0.00 C ATOM 1671 C GLY A 108 1.684 3.658 -12.051 1.00 0.00 C ATOM 1672 O GLY A 108 2.220 2.627 -12.453 1.00 0.00 O ATOM 0 H GLY A 108 -0.980 5.054 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.143 2.637 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.359 4.033 -12.602 1.00 0.00 H new ATOM 1676 N GLU A 109 2.364 4.775 -11.831 1.00 0.00 N ATOM 1677 CA GLU A 109 3.814 4.856 -11.916 1.00 0.00 C ATOM 1678 C GLU A 109 4.516 3.778 -11.098 1.00 0.00 C ATOM 1679 O GLU A 109 5.223 2.922 -11.634 1.00 0.00 O ATOM 1680 CB GLU A 109 4.303 6.247 -11.473 1.00 0.00 C ATOM 1681 CG GLU A 109 4.285 7.239 -12.632 1.00 0.00 C ATOM 1682 CD GLU A 109 5.288 8.362 -12.374 1.00 0.00 C ATOM 1683 OE1 GLU A 109 5.065 9.136 -11.414 1.00 0.00 O ATOM 1684 OE2 GLU A 109 6.260 8.450 -13.155 1.00 0.00 O ATOM 0 H GLU A 109 1.919 5.659 -11.586 1.00 0.00 H new ATOM 0 HA GLU A 109 4.073 4.689 -12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.670 6.617 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.315 6.169 -11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.530 6.728 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 109 3.284 7.654 -12.751 1.00 0.00 H new ATOM 1691 N ILE A 110 4.227 3.745 -9.807 1.00 0.00 N ATOM 1692 CA ILE A 110 4.803 2.755 -8.928 1.00 0.00 C ATOM 1693 C ILE A 110 4.258 1.376 -9.221 1.00 0.00 C ATOM 1694 O ILE A 110 4.957 0.375 -9.055 1.00 0.00 O ATOM 1695 CB ILE A 110 4.586 3.158 -7.461 1.00 0.00 C ATOM 1696 CG1 ILE A 110 5.194 4.536 -7.149 1.00 0.00 C ATOM 1697 CG2 ILE A 110 5.181 2.072 -6.574 1.00 0.00 C ATOM 1698 CD1 ILE A 110 6.391 4.889 -8.043 1.00 0.00 C ATOM 0 H ILE A 110 3.593 4.399 -9.348 1.00 0.00 H new ATOM 0 HA ILE A 110 5.877 2.713 -9.109 1.00 0.00 H new ATOM 0 HB ILE A 110 3.518 3.249 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.425 5.299 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.510 4.558 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.038 2.338 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.685 1.123 -6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.247 1.976 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.771 5.873 -7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.177 4.146 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.076 4.899 -9.086 1.00 0.00 H new ATOM 1710 N VAL A 111 3.040 1.330 -9.711 1.00 0.00 N ATOM 1711 CA VAL A 111 2.395 0.109 -10.084 1.00 0.00 C ATOM 1712 C VAL A 111 3.162 -0.620 -11.176 1.00 0.00 C ATOM 1713 O VAL A 111 3.596 -1.751 -10.951 1.00 0.00 O ATOM 1714 CB VAL A 111 0.946 0.321 -10.478 1.00 0.00 C ATOM 1715 CG1 VAL A 111 0.279 -0.981 -10.955 1.00 0.00 C ATOM 1716 CG2 VAL A 111 0.212 0.994 -9.297 1.00 0.00 C ATOM 0 H VAL A 111 2.466 2.160 -9.861 1.00 0.00 H new ATOM 0 HA VAL A 111 2.395 -0.526 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 111 0.889 0.985 -11.340 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.757 -0.781 -11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.813 -1.367 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.308 -1.719 -10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.833 1.155 -9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.269 0.350 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.682 1.952 -9.075 1.00 0.00 H new ATOM 1726 N SER A 112 3.336 0.039 -12.318 1.00 0.00 N ATOM 1727 CA SER A 112 4.142 -0.443 -13.415 1.00 0.00 C ATOM 1728 C SER A 112 5.569 -0.771 -12.990 1.00 0.00 C ATOM 1729 O SER A 112 6.162 -1.660 -13.591 1.00 0.00 O ATOM 1730 CB SER A 112 4.155 0.595 -14.557 1.00 0.00 C ATOM 1731 OG SER A 112 4.983 0.221 -15.661 1.00 0.00 O ATOM 0 H SER A 112 2.906 0.945 -12.502 1.00 0.00 H new ATOM 0 HA SER A 112 3.689 -1.371 -13.765 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.135 0.744 -14.913 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.499 1.552 -14.163 1.00 0.00 H new ATOM 0 HG SER A 112 4.946 0.918 -16.349 1.00 0.00 H new ATOM 1737 N SER A 113 6.065 -0.124 -11.939 1.00 0.00 N ATOM 1738 CA SER A 113 7.365 -0.399 -11.368 1.00 0.00 C ATOM 1739 C SER A 113 7.374 -1.719 -10.591 1.00 0.00 C ATOM 1740 O SER A 113 7.865 -2.732 -11.064 1.00 0.00 O ATOM 1741 CB SER A 113 7.788 0.763 -10.471 1.00 0.00 C ATOM 1742 OG SER A 113 8.788 1.534 -11.097 1.00 0.00 O ATOM 0 H SER A 113 5.559 0.619 -11.457 1.00 0.00 H new ATOM 0 HA SER A 113 8.082 -0.503 -12.182 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.925 1.390 -10.247 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.159 0.380 -9.520 1.00 0.00 H new ATOM 0 HG SER A 113 8.622 2.485 -10.928 1.00 0.00 H new ATOM 1748 N CYS A 114 6.832 -1.715 -9.382 1.00 0.00 N ATOM 1749 CA CYS A 114 6.748 -2.881 -8.527 1.00 0.00 C ATOM 1750 C CYS A 114 5.502 -2.842 -7.632 1.00 0.00 C ATOM 1751 O CYS A 114 5.469 -3.419 -6.550 1.00 0.00 O ATOM 1752 CB CYS A 114 8.045 -3.053 -7.714 1.00 0.00 C ATOM 1753 SG CYS A 114 8.430 -4.789 -7.348 1.00 0.00 S ATOM 0 H CYS A 114 6.429 -0.877 -8.961 1.00 0.00 H new ATOM 0 HA CYS A 114 6.640 -3.759 -9.163 1.00 0.00 H new ATOM 0 HB2 CYS A 114 8.874 -2.612 -8.267 1.00 0.00 H new ATOM 0 HB3 CYS A 114 7.956 -2.501 -6.778 1.00 0.00 H new ATOM 1758 N GLY A 115 4.441 -2.220 -8.111 1.00 0.00 N ATOM 1759 CA GLY A 115 3.200 -2.018 -7.400 1.00 0.00 C ATOM 1760 C GLY A 115 2.015 -2.554 -8.191 1.00 0.00 C ATOM 1761 O GLY A 115 0.936 -2.000 -8.067 1.00 0.00 O ATOM 0 H GLY A 115 4.424 -1.825 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.248 -2.516 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 115 3.059 -0.955 -7.205 1.00 0.00 H new ATOM 1765 N VAL A 116 2.226 -3.545 -9.054 1.00 0.00 N ATOM 1766 CA VAL A 116 1.235 -4.200 -9.908 1.00 0.00 C ATOM 1767 C VAL A 116 0.228 -5.057 -9.157 1.00 0.00 C ATOM 1768 O VAL A 116 0.522 -6.181 -8.773 1.00 0.00 O ATOM 1769 CB VAL A 116 1.911 -5.026 -11.024 1.00 0.00 C ATOM 1770 CG1 VAL A 116 2.873 -6.095 -10.493 1.00 0.00 C ATOM 1771 CG2 VAL A 116 0.835 -5.632 -11.928 1.00 0.00 C ATOM 0 H VAL A 116 3.157 -3.939 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 116 0.667 -3.383 -10.353 1.00 0.00 H new ATOM 0 HB VAL A 116 2.535 -4.347 -11.605 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.312 -6.637 -11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.664 -5.618 -9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.328 -6.791 -9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.309 -6.216 -12.717 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.186 -6.279 -11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.242 -4.833 -12.374 1.00 0.00 H new ATOM 1781 N ARG A 117 -0.973 -4.534 -8.936 1.00 0.00 N ATOM 1782 CA ARG A 117 -1.946 -5.192 -8.066 1.00 0.00 C ATOM 1783 C ARG A 117 -3.339 -5.037 -8.621 1.00 0.00 C ATOM 1784 O ARG A 117 -3.861 -5.947 -9.223 1.00 0.00 O ATOM 1785 CB ARG A 117 -1.875 -4.669 -6.636 1.00 0.00 C ATOM 1786 CG ARG A 117 -0.517 -4.198 -6.188 1.00 0.00 C ATOM 1787 CD ARG A 117 0.440 -5.335 -5.883 1.00 0.00 C ATOM 1788 NE ARG A 117 1.793 -5.062 -6.376 1.00 0.00 N ATOM 1789 CZ ARG A 117 2.659 -5.964 -6.783 1.00 0.00 C ATOM 1790 NH1 ARG A 117 2.428 -7.230 -6.694 1.00 0.00 N ATOM 1791 NH2 ARG A 117 3.834 -5.624 -7.203 1.00 0.00 N ATOM 0 H ARG A 117 -1.298 -3.658 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.695 -6.252 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.579 -3.843 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.208 -5.458 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.085 -3.566 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -0.630 -3.578 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.473 -5.502 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.068 -6.254 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 117 2.089 -4.086 -6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.549 -7.561 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.125 -7.900 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.104 -4.640 -7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.491 -6.339 -7.514 1.00 0.00 H new ATOM 1805 N CYS A 118 -3.887 -3.837 -8.514 1.00 0.00 N ATOM 1806 CA CYS A 118 -5.168 -3.478 -9.072 1.00 0.00 C ATOM 1807 C CYS A 118 -5.065 -2.275 -9.997 1.00 0.00 C ATOM 1808 O CYS A 118 -6.041 -1.813 -10.560 1.00 0.00 O ATOM 1809 CB CYS A 118 -6.168 -3.237 -7.956 1.00 0.00 C ATOM 1810 SG CYS A 118 -7.524 -4.416 -8.102 1.00 0.00 S ATOM 0 H CYS A 118 -3.434 -3.068 -8.021 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.520 -4.310 -9.682 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.681 -3.344 -6.987 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -6.550 -2.218 -8.009 1.00 0.00 H new ATOM 1815 N MET A 119 -3.858 -1.752 -10.152 1.00 0.00 N ATOM 1816 CA MET A 119 -3.569 -0.642 -11.047 1.00 0.00 C ATOM 1817 C MET A 119 -3.035 -1.111 -12.404 1.00 0.00 C ATOM 1818 O MET A 119 -2.673 -0.305 -13.253 1.00 0.00 O ATOM 1819 CB MET A 119 -2.579 0.235 -10.323 1.00 0.00 C ATOM 1820 CG MET A 119 -3.199 1.274 -9.399 1.00 0.00 C ATOM 1821 SD MET A 119 -2.961 2.900 -10.094 1.00 0.00 S ATOM 1822 CE MET A 119 -4.640 3.499 -10.070 1.00 0.00 C ATOM 0 H MET A 119 -3.038 -2.093 -9.651 1.00 0.00 H new ATOM 0 HA MET A 119 -4.480 -0.092 -11.284 1.00 0.00 H new ATOM 0 HB2 MET A 119 -1.914 -0.400 -9.738 1.00 0.00 H new ATOM 0 HB3 MET A 119 -1.962 0.748 -11.061 1.00 0.00 H new ATOM 0 HG2 MET A 119 -4.263 1.074 -9.270 1.00 0.00 H new ATOM 0 HG3 MET A 119 -2.742 1.218 -8.411 1.00 0.00 H new ATOM 0 HE1 MET A 119 -4.750 4.303 -10.797 1.00 0.00 H new ATOM 0 HE2 MET A 119 -5.320 2.686 -10.323 1.00 0.00 H new ATOM 0 HE3 MET A 119 -4.878 3.875 -9.075 1.00 0.00 H new ATOM 1832 N ARG A 120 -2.920 -2.428 -12.590 1.00 0.00 N ATOM 1833 CA ARG A 120 -2.468 -3.052 -13.821 1.00 0.00 C ATOM 1834 C ARG A 120 -2.968 -4.496 -13.905 1.00 0.00 C ATOM 1835 O ARG A 120 -4.075 -4.728 -14.352 1.00 0.00 O ATOM 1836 CB ARG A 120 -0.936 -2.926 -13.937 1.00 0.00 C ATOM 1837 CG ARG A 120 -0.386 -3.763 -15.121 1.00 0.00 C ATOM 1838 CD ARG A 120 0.562 -2.989 -15.983 1.00 0.00 C ATOM 1839 NE ARG A 120 -0.186 -2.235 -17.008 1.00 0.00 N ATOM 1840 CZ ARG A 120 0.251 -1.200 -17.683 1.00 0.00 C ATOM 1841 NH1 ARG A 120 1.436 -0.736 -17.467 1.00 0.00 N ATOM 1842 NH2 ARG A 120 -0.496 -0.639 -18.575 1.00 0.00 N ATOM 0 H ARG A 120 -3.148 -3.104 -11.861 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.894 -2.534 -14.680 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.665 -1.879 -14.073 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.471 -3.257 -13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 120 0.121 -4.646 -14.732 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.219 -4.116 -15.729 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.146 -2.303 -15.370 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.267 -3.668 -16.462 1.00 0.00 H new ATOM 0 HE ARG A 120 -1.135 -2.550 -17.211 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.036 -1.175 -16.769 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.772 0.070 -17.995 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.432 -1.001 -18.757 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.150 0.166 -19.097 1.00 0.00 H new ATOM 1856 N GLN A 121 -2.130 -5.429 -13.479 1.00 0.00 N ATOM 1857 CA GLN A 121 -2.337 -6.846 -13.571 1.00 0.00 C ATOM 1858 C GLN A 121 -2.612 -7.375 -12.193 1.00 0.00 C ATOM 1859 O GLN A 121 -1.841 -7.176 -11.259 1.00 0.00 O ATOM 1860 CB GLN A 121 -1.128 -7.552 -14.208 1.00 0.00 C ATOM 1861 CG GLN A 121 -1.462 -8.040 -15.626 1.00 0.00 C ATOM 1862 CD GLN A 121 -1.681 -9.544 -15.635 1.00 0.00 C ATOM 1863 OE1 GLN A 121 -2.643 -10.066 -15.108 1.00 0.00 O ATOM 1864 NE2 GLN A 121 -0.756 -10.280 -16.204 1.00 0.00 N ATOM 0 H GLN A 121 -1.241 -5.193 -13.037 1.00 0.00 H new ATOM 0 HA GLN A 121 -3.190 -7.047 -14.219 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -0.280 -6.868 -14.245 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.828 -8.398 -13.589 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -2.357 -7.534 -15.989 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -0.651 -7.781 -16.306 1.00 0.00 H new ATOM 0 HE21 GLN A 121 0.049 -9.836 -16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -0.842 -11.296 -16.206 1.00 0.00 H new ATOM 1873 N THR A 122 -3.758 -8.004 -12.088 1.00 0.00 N ATOM 1874 CA THR A 122 -4.268 -8.525 -10.837 1.00 0.00 C ATOM 1875 C THR A 122 -3.863 -9.970 -10.707 1.00 0.00 C ATOM 1876 O THR A 122 -3.763 -10.681 -11.706 1.00 0.00 O ATOM 1877 CB THR A 122 -5.790 -8.327 -10.763 1.00 0.00 C ATOM 1878 OG1 THR A 122 -6.441 -9.276 -11.574 1.00 0.00 O ATOM 1879 CG2 THR A 122 -6.260 -6.956 -11.300 1.00 0.00 C ATOM 0 H THR A 122 -4.375 -8.172 -12.882 1.00 0.00 H new ATOM 0 HA THR A 122 -3.841 -7.981 -9.994 1.00 0.00 H new ATOM 0 HB THR A 122 -6.034 -8.419 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 122 -7.410 -9.143 -11.519 1.00 0.00 H new ATOM 0 HG21 THR A 122 -7.345 -6.885 -11.217 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.799 -6.159 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 122 -5.969 -6.855 -12.345 1.00 0.00 H new ATOM 1887 N ARG A 123 -3.553 -10.391 -9.492 1.00 0.00 N ATOM 1888 CA ARG A 123 -3.138 -11.748 -9.209 1.00 0.00 C ATOM 1889 C ARG A 123 -2.955 -11.913 -7.721 1.00 0.00 C ATOM 1890 O ARG A 123 -3.043 -10.946 -6.972 1.00 0.00 O ATOM 1891 CB ARG A 123 -1.800 -12.078 -9.906 1.00 0.00 C ATOM 1892 CG ARG A 123 -1.819 -13.527 -10.415 1.00 0.00 C ATOM 1893 CD ARG A 123 -2.103 -13.563 -11.918 1.00 0.00 C ATOM 1894 NE ARG A 123 -1.964 -14.941 -12.436 1.00 0.00 N ATOM 1895 CZ ARG A 123 -0.838 -15.572 -12.706 1.00 0.00 C ATOM 1896 NH1 ARG A 123 0.305 -14.976 -12.561 1.00 0.00 N ATOM 1897 NH2 ARG A 123 -0.844 -16.797 -13.122 1.00 0.00 N ATOM 0 H ARG A 123 -3.584 -9.791 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.908 -12.423 -9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.635 -11.393 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.973 -11.939 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.861 -14.004 -10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -2.580 -14.096 -9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.110 -13.194 -12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.414 -12.900 -12.441 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.828 -15.457 -12.602 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.339 -14.010 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.170 -15.473 -12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.729 -17.289 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.036 -17.271 -13.326 1.00 0.00 H new ATOM 1911 N THR A 124 -2.712 -13.148 -7.326 1.00 0.00 N ATOM 1912 CA THR A 124 -2.599 -13.533 -5.934 1.00 0.00 C ATOM 1913 C THR A 124 -1.550 -14.631 -5.940 1.00 0.00 C ATOM 1914 O THR A 124 -1.715 -15.605 -6.680 1.00 0.00 O ATOM 1915 CB THR A 124 -3.974 -13.973 -5.384 1.00 0.00 C ATOM 1916 OG1 THR A 124 -4.427 -15.241 -5.780 1.00 0.00 O ATOM 1917 CG2 THR A 124 -5.135 -13.127 -5.932 1.00 0.00 C ATOM 0 H THR A 124 -2.586 -13.924 -7.975 1.00 0.00 H new ATOM 0 HA THR A 124 -2.297 -12.723 -5.270 1.00 0.00 H new ATOM 0 HB THR A 124 -3.772 -13.900 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 124 -3.689 -15.738 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 124 -6.075 -13.483 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 124 -4.986 -12.083 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 124 -5.168 -13.215 -7.018 1.00 0.00 H new ATOM 1925 N ASN A 125 -0.357 -14.311 -5.436 1.00 0.00 N ATOM 1926 CA ASN A 125 0.740 -15.256 -5.194 1.00 0.00 C ATOM 1927 C ASN A 125 0.369 -16.575 -4.518 1.00 0.00 C ATOM 1928 O ASN A 125 1.155 -17.551 -4.758 1.00 0.00 O ATOM 1929 CB ASN A 125 2.003 -14.547 -4.613 1.00 0.00 C ATOM 1930 CG ASN A 125 3.138 -14.387 -5.585 1.00 0.00 C ATOM 1931 OD1 ASN A 125 3.275 -13.410 -6.293 1.00 0.00 O ATOM 1932 ND2 ASN A 125 4.018 -15.337 -5.582 1.00 0.00 N ATOM 1933 OXT ASN A 125 -0.795 -16.735 -3.991 1.00 0.00 O ATOM 0 H ASN A 125 -0.117 -13.354 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 125 1.016 -15.614 -6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.714 -13.561 -4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.357 -15.114 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.841 -15.271 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.888 -16.151 -4.981 1.00 0.00 H new TER 1940 ASN A 125