USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 855 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.46) USER MOD Single : A 6 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-0.14) USER MOD Single : A 10 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0047) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.133) USER MOD Single : A 14 SER OG : rot -137:sc= 1.42 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -132:sc= 1.01 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 32 SER OG : rot -60:sc= 1.3 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.634 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -5:sc= 0.102 USER MOD Single : A 46 GLN : amide:sc= -7.74! C(o=-7.7!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 21:sc= 0.285 USER MOD Single : A 57 ASN : amide:sc= -3.27 K(o=-3.3,f=-6.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.041) USER MOD Single : A 85 TYR OH : rot -13:sc= 0.377 USER MOD Single : A 88 ASN : amide:sc= -1.95 K(o=-2,f=-1.3) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 103 SER OG : rot -20:sc= 0.4! USER MOD Single : A 104 SER OG : rot 47:sc= 0.489 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -166:sc=-0.00356 (180deg=-0.12) USER MOD Single : A 113 GLN : amide:sc= -2.27 K(o=-2.3,f=-5.5!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.547 -5.347 -7.892 1.00 4.32 N ATOM 2 CA MET A 1 0.088 -6.726 -8.011 1.00 13.42 C ATOM 3 C MET A 1 0.144 -7.436 -6.662 1.00 11.31 C ATOM 4 O MET A 1 1.181 -7.975 -6.277 1.00 11.55 O ATOM 5 CB MET A 1 0.936 -7.482 -9.034 1.00 65.14 C ATOM 6 CG MET A 1 0.319 -7.525 -10.423 1.00 30.43 C ATOM 7 SD MET A 1 1.384 -6.792 -11.680 1.00 32.34 S ATOM 8 CE MET A 1 1.199 -7.975 -13.012 1.00 31.12 C ATOM 0 H1 MET A 1 0.500 -4.884 -8.822 1.00 4.32 H new ATOM 0 H2 MET A 1 -0.060 -4.836 -7.220 1.00 4.32 H new ATOM 0 H3 MET A 1 1.529 -5.336 -7.549 1.00 4.32 H new ATOM 0 HA MET A 1 -0.948 -6.710 -8.350 1.00 13.42 H new ATOM 0 HB2 MET A 1 1.918 -7.014 -9.096 1.00 65.14 H new ATOM 0 HB3 MET A 1 1.091 -8.502 -8.682 1.00 65.14 H new ATOM 0 HG2 MET A 1 0.108 -8.560 -10.690 1.00 30.43 H new ATOM 0 HG3 MET A 1 -0.635 -6.998 -10.409 1.00 30.43 H new ATOM 0 HE1 MET A 1 1.800 -7.659 -13.865 1.00 31.12 H new ATOM 0 HE2 MET A 1 1.533 -8.957 -12.676 1.00 31.12 H new ATOM 0 HE3 MET A 1 0.151 -8.030 -13.307 1.00 31.12 H new ATOM 18 N ALA A 2 -0.978 -7.432 -5.949 1.00 3.21 N ATOM 19 CA ALA A 2 -1.056 -8.077 -4.644 1.00 63.13 C ATOM 20 C ALA A 2 -2.128 -9.161 -4.631 1.00 61.34 C ATOM 21 O ALA A 2 -3.246 -8.948 -5.099 1.00 65.54 O ATOM 22 CB ALA A 2 -1.333 -7.045 -3.561 1.00 23.31 C ATOM 0 H ALA A 2 -1.845 -6.989 -6.253 1.00 3.21 H new ATOM 0 HA ALA A 2 -0.095 -8.550 -4.442 1.00 63.13 H new ATOM 0 HB1 ALA A 2 -1.389 -7.541 -2.592 1.00 23.31 H new ATOM 0 HB2 ALA A 2 -0.530 -6.308 -3.546 1.00 23.31 H new ATOM 0 HB3 ALA A 2 -2.279 -6.545 -3.768 1.00 23.31 H new ATOM 28 N GLY A 3 -1.779 -10.326 -4.093 1.00 11.15 N ATOM 29 CA GLY A 3 -2.723 -11.427 -4.030 1.00 1.52 C ATOM 30 C GLY A 3 -2.090 -12.705 -3.517 1.00 43.23 C ATOM 31 O GLY A 3 -0.925 -12.986 -3.801 1.00 13.21 O ATOM 0 H GLY A 3 -0.860 -10.527 -3.700 1.00 11.15 H new ATOM 0 HA2 GLY A 3 -3.555 -11.152 -3.382 1.00 1.52 H new ATOM 0 HA3 GLY A 3 -3.137 -11.603 -5.023 1.00 1.52 H new ATOM 35 N SER A 4 -2.857 -13.481 -2.759 1.00 13.23 N ATOM 36 CA SER A 4 -2.363 -14.734 -2.200 1.00 45.25 C ATOM 37 C SER A 4 -2.138 -15.767 -3.300 1.00 72.31 C ATOM 38 O SER A 4 -1.036 -16.294 -3.458 1.00 33.25 O ATOM 39 CB SER A 4 -3.348 -15.280 -1.165 1.00 42.42 C ATOM 40 OG SER A 4 -2.719 -15.460 0.092 1.00 41.31 O ATOM 0 H SER A 4 -3.824 -13.264 -2.517 1.00 13.23 H new ATOM 0 HA SER A 4 -1.409 -14.534 -1.712 1.00 45.25 H new ATOM 0 HB2 SER A 4 -4.188 -14.593 -1.060 1.00 42.42 H new ATOM 0 HB3 SER A 4 -3.755 -16.230 -1.511 1.00 42.42 H new ATOM 0 HG SER A 4 -3.370 -15.808 0.737 1.00 41.31 H new ATOM 46 N HIS A 5 -3.192 -16.053 -4.059 1.00 45.20 N ATOM 47 CA HIS A 5 -3.111 -17.023 -5.145 1.00 62.11 C ATOM 48 C HIS A 5 -4.368 -16.979 -6.008 1.00 14.31 C ATOM 49 O HIS A 5 -5.222 -17.863 -5.925 1.00 41.51 O ATOM 50 CB HIS A 5 -2.912 -18.432 -4.585 1.00 41.21 C ATOM 51 CG HIS A 5 -2.760 -19.481 -5.643 1.00 72.00 C ATOM 52 ND1 HIS A 5 -2.341 -19.201 -6.926 1.00 43.33 N ATOM 53 CD2 HIS A 5 -2.973 -20.817 -5.602 1.00 30.12 C ATOM 54 CE1 HIS A 5 -2.304 -20.319 -7.629 1.00 42.32 C ATOM 55 NE2 HIS A 5 -2.682 -21.314 -6.848 1.00 75.44 N ATOM 0 H HIS A 5 -4.111 -15.627 -3.942 1.00 45.20 H new ATOM 0 HA HIS A 5 -2.255 -16.763 -5.768 1.00 62.11 H new ATOM 0 HB2 HIS A 5 -2.028 -18.439 -3.948 1.00 41.21 H new ATOM 0 HB3 HIS A 5 -3.763 -18.686 -3.952 1.00 41.21 H new ATOM 0 HD2 HIS A 5 -3.309 -21.386 -4.748 1.00 30.12 H new ATOM 0 HE1 HIS A 5 -2.014 -20.404 -8.666 1.00 42.32 H new ATOM 0 HE2 HIS A 5 -2.747 -22.293 -7.125 1.00 75.44 H new ATOM 63 N HIS A 6 -4.477 -15.944 -6.835 1.00 3.31 N ATOM 64 CA HIS A 6 -5.631 -15.784 -7.713 1.00 25.11 C ATOM 65 C HIS A 6 -5.208 -15.828 -9.178 1.00 52.34 C ATOM 66 O HIS A 6 -5.749 -15.101 -10.013 1.00 1.02 O ATOM 67 CB HIS A 6 -6.346 -14.466 -7.415 1.00 71.22 C ATOM 68 CG HIS A 6 -7.041 -14.448 -6.089 1.00 21.25 C ATOM 69 ND1 HIS A 6 -6.990 -13.373 -5.227 1.00 24.14 N ATOM 70 CD2 HIS A 6 -7.808 -15.382 -5.478 1.00 42.30 C ATOM 71 CE1 HIS A 6 -7.693 -13.647 -4.143 1.00 14.34 C ATOM 72 NE2 HIS A 6 -8.201 -14.859 -4.270 1.00 62.54 N ATOM 0 H HIS A 6 -3.780 -15.203 -6.916 1.00 3.31 H new ATOM 0 HA HIS A 6 -6.317 -16.610 -7.526 1.00 25.11 H new ATOM 0 HB2 HIS A 6 -5.620 -13.653 -7.447 1.00 71.22 H new ATOM 0 HB3 HIS A 6 -7.076 -14.272 -8.201 1.00 71.22 H new ATOM 0 HD2 HIS A 6 -8.063 -16.356 -5.868 1.00 42.30 H new ATOM 0 HE1 HIS A 6 -7.829 -12.991 -3.296 1.00 14.34 H new ATOM 0 HE2 HIS A 6 -8.789 -15.330 -3.583 1.00 62.54 H new ATOM 80 N HIS A 7 -4.238 -16.684 -9.485 1.00 14.33 N ATOM 81 CA HIS A 7 -3.743 -16.822 -10.850 1.00 14.42 C ATOM 82 C HIS A 7 -3.498 -18.288 -11.193 1.00 41.21 C ATOM 83 O HIS A 7 -3.039 -19.064 -10.354 1.00 42.15 O ATOM 84 CB HIS A 7 -2.454 -16.021 -11.030 1.00 43.54 C ATOM 85 CG HIS A 7 -1.294 -16.571 -10.260 1.00 24.32 C ATOM 86 ND1 HIS A 7 -1.020 -16.217 -8.956 1.00 1.43 N ATOM 87 CD2 HIS A 7 -0.335 -17.458 -10.616 1.00 42.31 C ATOM 88 CE1 HIS A 7 0.058 -16.860 -8.544 1.00 1.32 C ATOM 89 NE2 HIS A 7 0.493 -17.620 -9.532 1.00 51.15 N ATOM 0 H HIS A 7 -3.779 -17.292 -8.807 1.00 14.33 H new ATOM 0 HA HIS A 7 -4.502 -16.431 -11.528 1.00 14.42 H new ATOM 0 HB2 HIS A 7 -2.197 -15.995 -12.089 1.00 43.54 H new ATOM 0 HB3 HIS A 7 -2.630 -14.991 -10.720 1.00 43.54 H new ATOM 0 HD2 HIS A 7 -0.239 -17.947 -11.574 1.00 42.31 H new ATOM 0 HE1 HIS A 7 0.507 -16.778 -7.565 1.00 1.32 H new ATOM 0 HE2 HIS A 7 1.311 -18.228 -9.496 1.00 51.15 H new ATOM 97 N HIS A 8 -3.807 -18.661 -12.431 1.00 14.41 N ATOM 98 CA HIS A 8 -3.620 -20.034 -12.885 1.00 34.11 C ATOM 99 C HIS A 8 -2.401 -20.144 -13.795 1.00 70.14 C ATOM 100 O HIS A 8 -1.951 -19.152 -14.370 1.00 71.22 O ATOM 101 CB HIS A 8 -4.867 -20.524 -13.622 1.00 33.34 C ATOM 102 CG HIS A 8 -6.097 -20.550 -12.767 1.00 23.14 C ATOM 103 ND1 HIS A 8 -7.351 -20.230 -13.242 1.00 2.21 N ATOM 104 CD2 HIS A 8 -6.260 -20.862 -11.460 1.00 22.33 C ATOM 105 CE1 HIS A 8 -8.232 -20.342 -12.264 1.00 61.20 C ATOM 106 NE2 HIS A 8 -7.595 -20.725 -11.172 1.00 35.22 N ATOM 0 H HIS A 8 -4.188 -18.031 -13.137 1.00 14.41 H new ATOM 0 HA HIS A 8 -3.455 -20.661 -12.009 1.00 34.11 H new ATOM 0 HB2 HIS A 8 -5.047 -19.880 -14.483 1.00 33.34 H new ATOM 0 HB3 HIS A 8 -4.681 -21.527 -14.007 1.00 33.34 H new ATOM 0 HD2 HIS A 8 -5.484 -21.163 -10.772 1.00 22.33 H new ATOM 0 HE1 HIS A 8 -9.292 -20.153 -12.344 1.00 61.20 H new ATOM 0 HE2 HIS A 8 -8.025 -20.892 -10.262 1.00 35.22 H new ATOM 114 N HIS A 9 -1.870 -21.356 -13.922 1.00 20.14 N ATOM 115 CA HIS A 9 -0.702 -21.595 -14.762 1.00 72.42 C ATOM 116 C HIS A 9 -0.427 -23.090 -14.897 1.00 73.14 C ATOM 117 O HIS A 9 -1.182 -23.919 -14.388 1.00 22.24 O ATOM 118 CB HIS A 9 0.524 -20.890 -14.181 1.00 73.14 C ATOM 119 CG HIS A 9 0.812 -21.264 -12.760 1.00 3.40 C ATOM 120 ND1 HIS A 9 1.711 -20.579 -11.970 1.00 22.14 N ATOM 121 CD2 HIS A 9 0.313 -22.256 -11.987 1.00 24.33 C ATOM 122 CE1 HIS A 9 1.754 -21.136 -10.772 1.00 42.42 C ATOM 123 NE2 HIS A 9 0.915 -22.155 -10.756 1.00 73.33 N ATOM 0 H HIS A 9 -2.230 -22.188 -13.454 1.00 20.14 H new ATOM 0 HA HIS A 9 -0.909 -21.190 -15.753 1.00 72.42 H new ATOM 0 HB2 HIS A 9 1.394 -21.127 -14.794 1.00 73.14 H new ATOM 0 HB3 HIS A 9 0.376 -19.812 -14.241 1.00 73.14 H new ATOM 0 HD2 HIS A 9 -0.422 -22.990 -12.282 1.00 24.33 H new ATOM 0 HE1 HIS A 9 2.371 -20.812 -9.947 1.00 42.42 H new ATOM 0 HE2 HIS A 9 0.742 -22.768 -9.959 1.00 73.33 H new ATOM 131 N HIS A 10 0.657 -23.427 -15.588 1.00 62.32 N ATOM 132 CA HIS A 10 1.031 -24.822 -15.791 1.00 25.54 C ATOM 133 C HIS A 10 2.493 -25.053 -15.418 1.00 11.42 C ATOM 134 O HIS A 10 3.376 -25.012 -16.273 1.00 50.14 O ATOM 135 CB HIS A 10 0.794 -25.230 -17.245 1.00 33.41 C ATOM 136 CG HIS A 10 0.706 -26.712 -17.445 1.00 32.24 C ATOM 137 ND1 HIS A 10 1.064 -27.335 -18.621 1.00 71.53 N ATOM 138 CD2 HIS A 10 0.299 -27.696 -16.608 1.00 41.43 C ATOM 139 CE1 HIS A 10 0.880 -28.638 -18.501 1.00 34.12 C ATOM 140 NE2 HIS A 10 0.416 -28.883 -17.288 1.00 44.13 N ATOM 0 H HIS A 10 1.292 -22.753 -16.017 1.00 62.32 H new ATOM 0 HA HIS A 10 0.407 -25.437 -15.143 1.00 25.54 H new ATOM 0 HB2 HIS A 10 -0.129 -24.769 -17.597 1.00 33.41 H new ATOM 0 HB3 HIS A 10 1.603 -24.836 -17.861 1.00 33.41 H new ATOM 0 HD2 HIS A 10 -0.052 -27.570 -15.594 1.00 41.43 H new ATOM 0 HE1 HIS A 10 1.075 -29.377 -19.264 1.00 34.12 H new ATOM 0 HE2 HIS A 10 0.183 -29.804 -16.917 1.00 44.13 H new ATOM 148 N GLY A 11 2.740 -25.294 -14.134 1.00 4.32 N ATOM 149 CA GLY A 11 4.096 -25.526 -13.670 1.00 50.54 C ATOM 150 C GLY A 11 4.174 -25.694 -12.166 1.00 14.20 C ATOM 151 O GLY A 11 3.191 -26.065 -11.524 1.00 53.45 O ATOM 0 H GLY A 11 2.026 -25.333 -13.407 1.00 4.32 H new ATOM 0 HA2 GLY A 11 4.494 -26.418 -14.153 1.00 50.54 H new ATOM 0 HA3 GLY A 11 4.728 -24.691 -13.972 1.00 50.54 H new ATOM 155 N SER A 12 5.346 -25.422 -11.601 1.00 71.14 N ATOM 156 CA SER A 12 5.550 -25.551 -10.163 1.00 52.12 C ATOM 157 C SER A 12 5.141 -26.939 -9.679 1.00 1.43 C ATOM 158 O SER A 12 4.568 -27.087 -8.600 1.00 31.21 O ATOM 159 CB SER A 12 4.751 -24.481 -9.416 1.00 30.43 C ATOM 160 OG SER A 12 5.259 -23.186 -9.683 1.00 54.32 O ATOM 0 H SER A 12 6.169 -25.111 -12.117 1.00 71.14 H new ATOM 0 HA SER A 12 6.611 -25.412 -9.957 1.00 52.12 H new ATOM 0 HB2 SER A 12 3.703 -24.532 -9.712 1.00 30.43 H new ATOM 0 HB3 SER A 12 4.789 -24.676 -8.344 1.00 30.43 H new ATOM 0 HG SER A 12 4.730 -22.520 -9.195 1.00 54.32 H new ATOM 166 N MET A 13 5.441 -27.952 -10.485 1.00 14.22 N ATOM 167 CA MET A 13 5.106 -29.328 -10.138 1.00 73.34 C ATOM 168 C MET A 13 5.737 -30.306 -11.125 1.00 34.03 C ATOM 169 O MET A 13 5.675 -30.105 -12.338 1.00 33.34 O ATOM 170 CB MET A 13 3.588 -29.516 -10.116 1.00 74.24 C ATOM 171 CG MET A 13 3.038 -29.863 -8.742 1.00 40.21 C ATOM 172 SD MET A 13 1.771 -31.144 -8.804 1.00 21.33 S ATOM 173 CE MET A 13 0.569 -30.380 -9.890 1.00 22.32 C ATOM 0 H MET A 13 5.915 -27.846 -11.382 1.00 14.22 H new ATOM 0 HA MET A 13 5.504 -29.533 -9.144 1.00 73.34 H new ATOM 0 HB2 MET A 13 3.112 -28.601 -10.468 1.00 74.24 H new ATOM 0 HB3 MET A 13 3.318 -30.306 -10.817 1.00 74.24 H new ATOM 0 HG2 MET A 13 3.855 -30.196 -8.102 1.00 40.21 H new ATOM 0 HG3 MET A 13 2.620 -28.966 -8.285 1.00 40.21 H new ATOM 0 HE1 MET A 13 -0.356 -30.957 -9.873 1.00 22.32 H new ATOM 0 HE2 MET A 13 0.368 -29.363 -9.553 1.00 22.32 H new ATOM 0 HE3 MET A 13 0.962 -30.354 -10.906 1.00 22.32 H new ATOM 183 N SER A 14 6.343 -31.364 -10.596 1.00 43.03 N ATOM 184 CA SER A 14 6.989 -32.371 -11.431 1.00 1.35 C ATOM 185 C SER A 14 6.210 -33.682 -11.401 1.00 52.11 C ATOM 186 O SER A 14 5.528 -34.032 -12.364 1.00 23.31 O ATOM 187 CB SER A 14 8.426 -32.607 -10.961 1.00 32.41 C ATOM 188 OG SER A 14 8.476 -32.822 -9.561 1.00 50.31 O ATOM 0 H SER A 14 6.400 -31.546 -9.594 1.00 43.03 H new ATOM 0 HA SER A 14 7.005 -32.002 -12.457 1.00 1.35 H new ATOM 0 HB2 SER A 14 8.845 -33.469 -11.480 1.00 32.41 H new ATOM 0 HB3 SER A 14 9.043 -31.747 -11.222 1.00 32.41 H new ATOM 0 HG SER A 14 9.230 -32.326 -9.181 1.00 50.31 H new ATOM 194 N GLU A 15 6.317 -34.402 -10.289 1.00 14.24 N ATOM 195 CA GLU A 15 5.623 -35.675 -10.134 1.00 13.13 C ATOM 196 C GLU A 15 4.696 -35.645 -8.922 1.00 32.42 C ATOM 197 O GLU A 15 4.459 -34.590 -8.333 1.00 70.23 O ATOM 198 CB GLU A 15 6.631 -36.817 -9.991 1.00 3.45 C ATOM 199 CG GLU A 15 6.401 -37.958 -10.966 1.00 71.25 C ATOM 200 CD GLU A 15 7.233 -37.825 -12.227 1.00 40.11 C ATOM 201 OE1 GLU A 15 8.379 -38.321 -12.236 1.00 21.32 O ATOM 202 OE2 GLU A 15 6.739 -37.225 -13.204 1.00 50.41 O ATOM 0 H GLU A 15 6.877 -34.126 -9.483 1.00 14.24 H new ATOM 0 HA GLU A 15 5.020 -35.842 -11.027 1.00 13.13 H new ATOM 0 HB2 GLU A 15 7.637 -36.423 -10.137 1.00 3.45 H new ATOM 0 HB3 GLU A 15 6.585 -37.205 -8.973 1.00 3.45 H new ATOM 0 HG2 GLU A 15 6.638 -38.903 -10.477 1.00 71.25 H new ATOM 0 HG3 GLU A 15 5.345 -37.995 -11.234 1.00 71.25 H new ATOM 209 N TYR A 16 4.174 -36.811 -8.555 1.00 41.33 N ATOM 210 CA TYR A 16 3.271 -36.919 -7.416 1.00 33.11 C ATOM 211 C TYR A 16 3.651 -38.101 -6.529 1.00 43.14 C ATOM 212 O TYR A 16 4.618 -38.812 -6.805 1.00 45.40 O ATOM 213 CB TYR A 16 1.827 -37.072 -7.896 1.00 55.31 C ATOM 214 CG TYR A 16 1.679 -37.988 -9.090 1.00 11.12 C ATOM 215 CD1 TYR A 16 1.387 -37.478 -10.349 1.00 70.52 C ATOM 216 CD2 TYR A 16 1.830 -39.363 -8.958 1.00 44.34 C ATOM 217 CE1 TYR A 16 1.250 -38.312 -11.443 1.00 5.33 C ATOM 218 CE2 TYR A 16 1.697 -40.203 -10.046 1.00 62.25 C ATOM 219 CZ TYR A 16 1.407 -39.673 -11.286 1.00 60.14 C ATOM 220 OH TYR A 16 1.272 -40.507 -12.372 1.00 61.35 O ATOM 0 H TYR A 16 4.361 -37.694 -9.030 1.00 41.33 H new ATOM 0 HA TYR A 16 3.357 -36.005 -6.829 1.00 33.11 H new ATOM 0 HB2 TYR A 16 1.220 -37.456 -7.077 1.00 55.31 H new ATOM 0 HB3 TYR A 16 1.432 -36.089 -8.152 1.00 55.31 H new ATOM 0 HD1 TYR A 16 1.265 -36.412 -10.475 1.00 70.52 H new ATOM 0 HD2 TYR A 16 2.055 -39.782 -7.988 1.00 44.34 H new ATOM 0 HE1 TYR A 16 1.021 -37.900 -12.415 1.00 5.33 H new ATOM 0 HE2 TYR A 16 1.819 -41.269 -9.927 1.00 62.25 H new ATOM 0 HH TYR A 16 1.414 -41.435 -12.091 1.00 61.35 H new ATOM 230 N ILE A 17 2.883 -38.305 -5.465 1.00 3.45 N ATOM 231 CA ILE A 17 3.138 -39.401 -4.538 1.00 52.30 C ATOM 232 C ILE A 17 1.942 -40.344 -4.461 1.00 65.41 C ATOM 233 O ILE A 17 0.827 -39.925 -4.154 1.00 35.22 O ATOM 234 CB ILE A 17 3.458 -38.880 -3.124 1.00 64.15 C ATOM 235 CG1 ILE A 17 3.486 -40.038 -2.125 1.00 30.21 C ATOM 236 CG2 ILE A 17 2.439 -37.833 -2.702 1.00 11.20 C ATOM 237 CD1 ILE A 17 3.914 -39.626 -0.734 1.00 14.32 C ATOM 0 H ILE A 17 2.079 -37.726 -5.223 1.00 3.45 H new ATOM 0 HA ILE A 17 4.003 -39.944 -4.921 1.00 52.30 H new ATOM 0 HB ILE A 17 4.443 -38.414 -3.139 1.00 64.15 H new ATOM 0 HG12 ILE A 17 2.494 -40.486 -2.073 1.00 30.21 H new ATOM 0 HG13 ILE A 17 4.165 -40.808 -2.492 1.00 30.21 H new ATOM 0 HG21 ILE A 17 2.679 -37.475 -1.701 1.00 11.20 H new ATOM 0 HG22 ILE A 17 2.464 -36.998 -3.402 1.00 11.20 H new ATOM 0 HG23 ILE A 17 1.443 -38.275 -2.700 1.00 11.20 H new ATOM 0 HD11 ILE A 17 3.911 -40.497 -0.079 1.00 14.32 H new ATOM 0 HD12 ILE A 17 4.919 -39.205 -0.772 1.00 14.32 H new ATOM 0 HD13 ILE A 17 3.222 -38.879 -0.347 1.00 14.32 H new ATOM 249 N ARG A 18 2.184 -41.621 -4.741 1.00 4.12 N ATOM 250 CA ARG A 18 1.128 -42.625 -4.703 1.00 11.13 C ATOM 251 C ARG A 18 1.370 -43.626 -3.577 1.00 71.42 C ATOM 252 O ARG A 18 2.231 -44.500 -3.684 1.00 35.22 O ATOM 253 CB ARG A 18 1.043 -43.358 -6.043 1.00 23.13 C ATOM 254 CG ARG A 18 -0.058 -42.838 -6.953 1.00 25.42 C ATOM 255 CD ARG A 18 -0.695 -43.963 -7.754 1.00 43.33 C ATOM 256 NE ARG A 18 -0.269 -43.949 -9.151 1.00 44.32 N ATOM 257 CZ ARG A 18 -0.870 -44.644 -10.110 1.00 52.20 C ATOM 258 NH1 ARG A 18 -1.919 -45.404 -9.824 1.00 45.34 N ATOM 259 NH2 ARG A 18 -0.424 -44.579 -11.358 1.00 24.32 N ATOM 0 H ARG A 18 3.102 -41.984 -4.997 1.00 4.12 H new ATOM 0 HA ARG A 18 0.183 -42.115 -4.516 1.00 11.13 H new ATOM 0 HB2 ARG A 18 2.000 -43.269 -6.557 1.00 23.13 H new ATOM 0 HB3 ARG A 18 0.878 -44.419 -5.857 1.00 23.13 H new ATOM 0 HG2 ARG A 18 -0.820 -42.338 -6.355 1.00 25.42 H new ATOM 0 HG3 ARG A 18 0.353 -42.092 -7.634 1.00 25.42 H new ATOM 0 HD2 ARG A 18 -0.433 -44.921 -7.305 1.00 43.33 H new ATOM 0 HD3 ARG A 18 -1.780 -43.874 -7.705 1.00 43.33 H new ATOM 0 HE ARG A 18 0.534 -43.374 -9.404 1.00 44.32 H new ATOM 0 HH11 ARG A 18 -2.266 -45.455 -8.866 1.00 45.34 H new ATOM 0 HH12 ARG A 18 -2.379 -45.937 -10.562 1.00 45.34 H new ATOM 0 HH21 ARG A 18 0.382 -43.995 -11.582 1.00 24.32 H new ATOM 0 HH22 ARG A 18 -0.887 -45.113 -12.093 1.00 24.32 H new ATOM 273 N VAL A 19 0.605 -43.493 -2.498 1.00 41.52 N ATOM 274 CA VAL A 19 0.736 -44.385 -1.353 1.00 74.40 C ATOM 275 C VAL A 19 -0.601 -44.565 -0.641 1.00 65.22 C ATOM 276 O VAL A 19 -1.482 -43.709 -0.725 1.00 31.20 O ATOM 277 CB VAL A 19 1.775 -43.858 -0.346 1.00 34.13 C ATOM 278 CG1 VAL A 19 3.186 -44.131 -0.842 1.00 22.52 C ATOM 279 CG2 VAL A 19 1.567 -42.372 -0.096 1.00 10.04 C ATOM 0 H VAL A 19 -0.112 -42.775 -2.393 1.00 41.52 H new ATOM 0 HA VAL A 19 1.072 -45.348 -1.739 1.00 74.40 H new ATOM 0 HB VAL A 19 1.640 -44.385 0.599 1.00 34.13 H new ATOM 0 HG11 VAL A 19 3.906 -43.751 -0.117 1.00 22.52 H new ATOM 0 HG12 VAL A 19 3.327 -45.205 -0.965 1.00 22.52 H new ATOM 0 HG13 VAL A 19 3.338 -43.633 -1.799 1.00 22.52 H new ATOM 0 HG21 VAL A 19 2.310 -42.016 0.618 1.00 10.04 H new ATOM 0 HG22 VAL A 19 1.674 -41.827 -1.034 1.00 10.04 H new ATOM 0 HG23 VAL A 19 0.568 -42.207 0.307 1.00 10.04 H new ATOM 289 N THR A 20 -0.745 -45.685 0.061 1.00 0.20 N ATOM 290 CA THR A 20 -1.974 -45.978 0.788 1.00 62.14 C ATOM 291 C THR A 20 -1.688 -46.269 2.256 1.00 21.53 C ATOM 292 O THR A 20 -0.636 -46.810 2.597 1.00 13.35 O ATOM 293 CB THR A 20 -2.717 -47.179 0.173 1.00 62.21 C ATOM 294 OG1 THR A 20 -3.657 -47.708 1.115 1.00 53.44 O ATOM 295 CG2 THR A 20 -1.738 -48.268 -0.239 1.00 63.10 C ATOM 0 H THR A 20 -0.026 -46.404 0.141 1.00 0.20 H new ATOM 0 HA THR A 20 -2.605 -45.092 0.713 1.00 62.14 H new ATOM 0 HB THR A 20 -3.247 -46.834 -0.715 1.00 62.21 H new ATOM 0 HG1 THR A 20 -3.565 -48.683 1.157 1.00 53.44 H new ATOM 0 HG21 THR A 20 -2.286 -49.106 -0.671 1.00 63.10 H new ATOM 0 HG22 THR A 20 -1.042 -47.871 -0.978 1.00 63.10 H new ATOM 0 HG23 THR A 20 -1.184 -48.609 0.636 1.00 63.10 H new ATOM 303 N GLU A 21 -2.631 -45.909 3.121 1.00 1.31 N ATOM 304 CA GLU A 21 -2.478 -46.132 4.554 1.00 75.31 C ATOM 305 C GLU A 21 -2.706 -47.600 4.903 1.00 62.43 C ATOM 306 O GLU A 21 -1.935 -48.197 5.654 1.00 20.44 O ATOM 307 CB GLU A 21 -3.456 -45.253 5.337 1.00 74.44 C ATOM 308 CG GLU A 21 -3.033 -45.003 6.774 1.00 1.31 C ATOM 309 CD GLU A 21 -4.088 -45.429 7.776 1.00 14.40 C ATOM 310 OE1 GLU A 21 -4.547 -46.588 7.697 1.00 2.22 O ATOM 311 OE2 GLU A 21 -4.456 -44.604 8.638 1.00 11.32 O ATOM 0 H GLU A 21 -3.508 -45.462 2.855 1.00 1.31 H new ATOM 0 HA GLU A 21 -1.458 -45.864 4.831 1.00 75.31 H new ATOM 0 HB2 GLU A 21 -3.560 -44.296 4.826 1.00 74.44 H new ATOM 0 HB3 GLU A 21 -4.439 -45.725 5.333 1.00 74.44 H new ATOM 0 HG2 GLU A 21 -2.108 -45.542 6.975 1.00 1.31 H new ATOM 0 HG3 GLU A 21 -2.819 -43.942 6.906 1.00 1.31 H new ATOM 318 N ASP A 22 -3.769 -48.175 4.352 1.00 71.22 N ATOM 319 CA ASP A 22 -4.099 -49.573 4.603 1.00 22.34 C ATOM 320 C ASP A 22 -3.734 -50.442 3.404 1.00 74.14 C ATOM 321 O ASP A 22 -3.874 -50.021 2.256 1.00 61.01 O ATOM 322 CB ASP A 22 -5.588 -49.719 4.921 1.00 61.22 C ATOM 323 CG ASP A 22 -5.848 -49.909 6.402 1.00 12.53 C ATOM 324 OD1 ASP A 22 -6.172 -48.911 7.081 1.00 43.25 O ATOM 325 OD2 ASP A 22 -5.729 -51.055 6.883 1.00 13.54 O ATOM 0 H ASP A 22 -4.417 -47.694 3.728 1.00 71.22 H new ATOM 0 HA ASP A 22 -3.518 -49.909 5.462 1.00 22.34 H new ATOM 0 HB2 ASP A 22 -6.119 -48.833 4.573 1.00 61.22 H new ATOM 0 HB3 ASP A 22 -5.992 -50.570 4.372 1.00 61.22 H new ATOM 330 N GLU A 23 -3.266 -51.655 3.678 1.00 21.53 N ATOM 331 CA GLU A 23 -2.880 -52.582 2.621 1.00 63.03 C ATOM 332 C GLU A 23 -4.084 -52.962 1.764 1.00 21.41 C ATOM 333 O GLU A 23 -3.960 -53.169 0.558 1.00 71.42 O ATOM 334 CB GLU A 23 -2.248 -53.840 3.220 1.00 73.40 C ATOM 335 CG GLU A 23 -3.147 -54.559 4.212 1.00 11.13 C ATOM 336 CD GLU A 23 -3.662 -55.882 3.681 1.00 71.42 C ATOM 337 OE1 GLU A 23 -3.019 -56.919 3.949 1.00 33.11 O ATOM 338 OE2 GLU A 23 -4.707 -55.882 2.997 1.00 42.21 O ATOM 0 H GLU A 23 -3.145 -52.019 4.623 1.00 21.53 H new ATOM 0 HA GLU A 23 -2.147 -52.084 1.986 1.00 63.03 H new ATOM 0 HB2 GLU A 23 -1.989 -54.526 2.413 1.00 73.40 H new ATOM 0 HB3 GLU A 23 -1.317 -53.567 3.717 1.00 73.40 H new ATOM 0 HG2 GLU A 23 -2.596 -54.733 5.136 1.00 11.13 H new ATOM 0 HG3 GLU A 23 -3.993 -53.918 4.461 1.00 11.13 H new ATOM 345 N ASN A 24 -5.249 -53.053 2.398 1.00 64.00 N ATOM 346 CA ASN A 24 -6.476 -53.410 1.695 1.00 3.30 C ATOM 347 C ASN A 24 -6.970 -52.247 0.839 1.00 20.25 C ATOM 348 O ASN A 24 -7.635 -52.450 -0.176 1.00 52.35 O ATOM 349 CB ASN A 24 -7.560 -53.819 2.694 1.00 23.40 C ATOM 350 CG ASN A 24 -8.242 -55.118 2.307 1.00 5.52 C ATOM 351 OD1 ASN A 24 -8.528 -55.356 1.134 1.00 44.33 O ATOM 352 ND2 ASN A 24 -8.505 -55.964 3.296 1.00 75.35 N ATOM 0 H ASN A 24 -5.369 -52.885 3.397 1.00 64.00 H new ATOM 0 HA ASN A 24 -6.258 -54.254 1.040 1.00 3.30 H new ATOM 0 HB2 ASN A 24 -7.117 -53.925 3.684 1.00 23.40 H new ATOM 0 HB3 ASN A 24 -8.305 -53.027 2.762 1.00 23.40 H new ATOM 0 HD21 ASN A 24 -8.963 -56.854 3.098 1.00 75.35 H new ATOM 0 HD22 ASN A 24 -8.249 -55.724 4.254 1.00 75.35 H new ATOM 359 N ASP A 25 -6.640 -51.030 1.257 1.00 24.22 N ATOM 360 CA ASP A 25 -7.048 -49.835 0.529 1.00 51.32 C ATOM 361 C ASP A 25 -6.155 -49.607 -0.687 1.00 21.23 C ATOM 362 O ASP A 25 -4.979 -49.970 -0.681 1.00 31.22 O ATOM 363 CB ASP A 25 -7.003 -48.612 1.447 1.00 63.05 C ATOM 364 CG ASP A 25 -7.996 -47.543 1.036 1.00 14.03 C ATOM 365 OD1 ASP A 25 -7.609 -46.356 0.996 1.00 63.34 O ATOM 366 OD2 ASP A 25 -9.161 -47.893 0.755 1.00 74.11 O ATOM 0 H ASP A 25 -6.091 -50.845 2.097 1.00 24.22 H new ATOM 0 HA ASP A 25 -8.071 -49.983 0.183 1.00 51.32 H new ATOM 0 HB2 ASP A 25 -7.211 -48.922 2.471 1.00 63.05 H new ATOM 0 HB3 ASP A 25 -5.997 -48.192 1.439 1.00 63.05 H new ATOM 371 N GLU A 26 -6.722 -49.005 -1.727 1.00 72.35 N ATOM 372 CA GLU A 26 -5.977 -48.732 -2.951 1.00 2.25 C ATOM 373 C GLU A 26 -5.001 -47.577 -2.746 1.00 42.30 C ATOM 374 O GLU A 26 -5.194 -46.712 -1.892 1.00 2.54 O ATOM 375 CB GLU A 26 -6.936 -48.406 -4.097 1.00 74.30 C ATOM 376 CG GLU A 26 -7.223 -49.590 -5.005 1.00 73.13 C ATOM 377 CD GLU A 26 -8.707 -49.798 -5.242 1.00 3.40 C ATOM 378 OE1 GLU A 26 -9.211 -50.893 -4.916 1.00 52.33 O ATOM 379 OE2 GLU A 26 -9.363 -48.866 -5.753 1.00 24.02 O ATOM 0 H GLU A 26 -7.694 -48.697 -1.747 1.00 72.35 H new ATOM 0 HA GLU A 26 -5.408 -49.626 -3.207 1.00 2.25 H new ATOM 0 HB2 GLU A 26 -7.875 -48.042 -3.681 1.00 74.30 H new ATOM 0 HB3 GLU A 26 -6.515 -47.596 -4.692 1.00 74.30 H new ATOM 0 HG2 GLU A 26 -6.724 -49.438 -5.962 1.00 73.13 H new ATOM 0 HG3 GLU A 26 -6.799 -50.492 -4.564 1.00 73.13 H new ATOM 386 N PRO A 27 -3.926 -47.562 -3.548 1.00 50.34 N ATOM 387 CA PRO A 27 -2.898 -46.519 -3.475 1.00 71.13 C ATOM 388 C PRO A 27 -3.406 -45.168 -3.968 1.00 33.45 C ATOM 389 O PRO A 27 -3.555 -44.952 -5.171 1.00 1.34 O ATOM 390 CB PRO A 27 -1.795 -47.044 -4.397 1.00 43.35 C ATOM 391 CG PRO A 27 -2.498 -47.941 -5.357 1.00 45.41 C ATOM 392 CD PRO A 27 -3.632 -48.561 -4.589 1.00 41.02 C ATOM 0 HA PRO A 27 -2.569 -46.342 -2.451 1.00 71.13 H new ATOM 0 HB2 PRO A 27 -1.290 -46.228 -4.915 1.00 43.35 H new ATOM 0 HB3 PRO A 27 -1.033 -47.585 -3.835 1.00 43.35 H new ATOM 0 HG2 PRO A 27 -2.868 -47.381 -6.215 1.00 45.41 H new ATOM 0 HG3 PRO A 27 -1.823 -48.706 -5.742 1.00 45.41 H new ATOM 0 HD2 PRO A 27 -4.497 -48.743 -5.227 1.00 41.02 H new ATOM 0 HD3 PRO A 27 -3.347 -49.520 -4.156 1.00 41.02 H new ATOM 400 N ILE A 28 -3.671 -44.264 -3.031 1.00 4.21 N ATOM 401 CA ILE A 28 -4.161 -42.934 -3.371 1.00 4.23 C ATOM 402 C ILE A 28 -3.025 -42.034 -3.846 1.00 23.30 C ATOM 403 O ILE A 28 -1.912 -42.096 -3.325 1.00 22.33 O ATOM 404 CB ILE A 28 -4.860 -42.268 -2.171 1.00 1.11 C ATOM 405 CG1 ILE A 28 -5.401 -40.892 -2.567 1.00 23.41 C ATOM 406 CG2 ILE A 28 -3.899 -42.148 -0.998 1.00 1.53 C ATOM 407 CD1 ILE A 28 -6.461 -40.947 -3.645 1.00 22.35 C ATOM 0 H ILE A 28 -3.555 -44.428 -2.031 1.00 4.21 H new ATOM 0 HA ILE A 28 -4.883 -43.061 -4.178 1.00 4.23 H new ATOM 0 HB ILE A 28 -5.699 -42.893 -1.865 1.00 1.11 H new ATOM 0 HG12 ILE A 28 -5.817 -40.406 -1.684 1.00 23.41 H new ATOM 0 HG13 ILE A 28 -4.574 -40.271 -2.913 1.00 23.41 H new ATOM 0 HG21 ILE A 28 -4.408 -41.675 -0.158 1.00 1.53 H new ATOM 0 HG22 ILE A 28 -3.558 -43.141 -0.704 1.00 1.53 H new ATOM 0 HG23 ILE A 28 -3.042 -41.542 -1.291 1.00 1.53 H new ATOM 0 HD11 ILE A 28 -6.799 -39.936 -3.875 1.00 22.35 H new ATOM 0 HD12 ILE A 28 -6.044 -41.404 -4.543 1.00 22.35 H new ATOM 0 HD13 ILE A 28 -7.306 -41.541 -3.295 1.00 22.35 H new ATOM 419 N GLU A 29 -3.315 -41.198 -4.838 1.00 2.24 N ATOM 420 CA GLU A 29 -2.317 -40.284 -5.382 1.00 60.52 C ATOM 421 C GLU A 29 -2.567 -38.857 -4.903 1.00 61.25 C ATOM 422 O GLU A 29 -3.700 -38.375 -4.920 1.00 60.34 O ATOM 423 CB GLU A 29 -2.332 -40.331 -6.912 1.00 5.14 C ATOM 424 CG GLU A 29 -3.540 -39.649 -7.530 1.00 35.12 C ATOM 425 CD GLU A 29 -3.250 -38.224 -7.959 1.00 15.12 C ATOM 426 OE1 GLU A 29 -4.061 -37.658 -8.722 1.00 72.21 O ATOM 427 OE2 GLU A 29 -2.214 -37.674 -7.532 1.00 64.51 O ATOM 0 H GLU A 29 -4.232 -41.135 -5.281 1.00 2.24 H new ATOM 0 HA GLU A 29 -1.337 -40.601 -5.025 1.00 60.52 H new ATOM 0 HB2 GLU A 29 -1.426 -39.859 -7.290 1.00 5.14 H new ATOM 0 HB3 GLU A 29 -2.308 -41.372 -7.235 1.00 5.14 H new ATOM 0 HG2 GLU A 29 -3.874 -40.224 -8.394 1.00 35.12 H new ATOM 0 HG3 GLU A 29 -4.359 -39.648 -6.811 1.00 35.12 H new ATOM 434 N ILE A 30 -1.502 -38.188 -4.477 1.00 4.42 N ATOM 435 CA ILE A 30 -1.605 -36.816 -3.994 1.00 21.21 C ATOM 436 C ILE A 30 -0.618 -35.904 -4.714 1.00 41.12 C ATOM 437 O ILE A 30 0.467 -36.320 -5.121 1.00 1.00 O ATOM 438 CB ILE A 30 -1.351 -36.733 -2.477 1.00 41.21 C ATOM 439 CG1 ILE A 30 -0.864 -38.082 -1.945 1.00 11.05 C ATOM 440 CG2 ILE A 30 -2.615 -36.296 -1.752 1.00 2.43 C ATOM 441 CD1 ILE A 30 -0.351 -38.021 -0.523 1.00 44.20 C ATOM 0 H ILE A 30 -0.558 -38.573 -4.456 1.00 4.42 H new ATOM 0 HA ILE A 30 -2.622 -36.483 -4.203 1.00 21.21 H new ATOM 0 HB ILE A 30 -0.575 -35.990 -2.293 1.00 41.21 H new ATOM 0 HG12 ILE A 30 -1.682 -38.801 -1.997 1.00 11.05 H new ATOM 0 HG13 ILE A 30 -0.071 -38.454 -2.593 1.00 11.05 H new ATOM 0 HG21 ILE A 30 -2.420 -36.242 -0.681 1.00 2.43 H new ATOM 0 HG22 ILE A 30 -2.922 -35.315 -2.115 1.00 2.43 H new ATOM 0 HG23 ILE A 30 -3.410 -37.017 -1.940 1.00 2.43 H new ATOM 0 HD11 ILE A 30 -0.023 -39.013 -0.212 1.00 44.20 H new ATOM 0 HD12 ILE A 30 0.488 -37.327 -0.468 1.00 44.20 H new ATOM 0 HD13 ILE A 30 -1.148 -37.679 0.137 1.00 44.20 H new ATOM 453 N PRO A 31 -1.000 -34.628 -4.875 1.00 72.41 N ATOM 454 CA PRO A 31 -0.162 -33.629 -5.545 1.00 31.24 C ATOM 455 C PRO A 31 1.068 -33.260 -4.722 1.00 52.55 C ATOM 456 O PRO A 31 0.953 -32.681 -3.642 1.00 40.42 O ATOM 457 CB PRO A 31 -1.093 -32.423 -5.686 1.00 52.51 C ATOM 458 CG PRO A 31 -2.089 -32.582 -4.589 1.00 40.25 C ATOM 459 CD PRO A 31 -2.280 -34.063 -4.415 1.00 61.14 C ATOM 0 HA PRO A 31 0.230 -33.995 -6.494 1.00 31.24 H new ATOM 0 HB2 PRO A 31 -0.544 -31.486 -5.590 1.00 52.51 H new ATOM 0 HB3 PRO A 31 -1.578 -32.409 -6.662 1.00 52.51 H new ATOM 0 HG2 PRO A 31 -1.731 -32.124 -3.667 1.00 40.25 H new ATOM 0 HG3 PRO A 31 -3.030 -32.094 -4.843 1.00 40.25 H new ATOM 0 HD2 PRO A 31 -2.484 -34.323 -3.376 1.00 61.14 H new ATOM 0 HD3 PRO A 31 -3.118 -34.432 -5.006 1.00 61.14 H new ATOM 467 N SER A 32 2.244 -33.597 -5.241 1.00 61.31 N ATOM 468 CA SER A 32 3.496 -33.304 -4.553 1.00 13.51 C ATOM 469 C SER A 32 4.102 -31.999 -5.061 1.00 52.11 C ATOM 470 O SER A 32 3.506 -31.306 -5.885 1.00 44.31 O ATOM 471 CB SER A 32 4.490 -34.450 -4.746 1.00 32.31 C ATOM 472 OG SER A 32 5.288 -34.244 -5.898 1.00 62.54 O ATOM 0 H SER A 32 2.356 -34.073 -6.136 1.00 61.31 H new ATOM 0 HA SER A 32 3.281 -33.195 -3.490 1.00 13.51 H new ATOM 0 HB2 SER A 32 5.129 -34.533 -3.867 1.00 32.31 H new ATOM 0 HB3 SER A 32 3.950 -35.392 -4.838 1.00 32.31 H new ATOM 0 HG SER A 32 4.712 -34.186 -6.689 1.00 62.54 H new ATOM 478 N GLU A 33 5.290 -31.672 -4.563 1.00 21.14 N ATOM 479 CA GLU A 33 5.977 -30.450 -4.965 1.00 72.44 C ATOM 480 C GLU A 33 6.848 -30.696 -6.194 1.00 4.13 C ATOM 481 O GLU A 33 7.054 -31.838 -6.604 1.00 30.31 O ATOM 482 CB GLU A 33 6.835 -29.919 -3.816 1.00 10.44 C ATOM 483 CG GLU A 33 6.380 -28.567 -3.291 1.00 40.02 C ATOM 484 CD GLU A 33 7.064 -27.409 -3.992 1.00 21.12 C ATOM 485 OE1 GLU A 33 8.241 -27.136 -3.674 1.00 14.21 O ATOM 486 OE2 GLU A 33 6.424 -26.776 -4.857 1.00 34.40 O ATOM 0 H GLU A 33 5.797 -32.236 -3.881 1.00 21.14 H new ATOM 0 HA GLU A 33 5.222 -29.705 -5.218 1.00 72.44 H new ATOM 0 HB2 GLU A 33 6.820 -30.640 -2.999 1.00 10.44 H new ATOM 0 HB3 GLU A 33 7.869 -29.840 -4.152 1.00 10.44 H new ATOM 0 HG2 GLU A 33 5.301 -28.477 -3.417 1.00 40.02 H new ATOM 0 HG3 GLU A 33 6.582 -28.510 -2.221 1.00 40.02 H new ATOM 493 N ASP A 34 7.357 -29.616 -6.776 1.00 2.20 N ATOM 494 CA ASP A 34 8.207 -29.712 -7.957 1.00 61.51 C ATOM 495 C ASP A 34 9.561 -30.321 -7.604 1.00 74.23 C ATOM 496 O ASP A 34 10.139 -31.071 -8.391 1.00 44.41 O ATOM 497 CB ASP A 34 8.403 -28.332 -8.585 1.00 50.32 C ATOM 498 CG ASP A 34 9.563 -28.299 -9.560 1.00 42.35 C ATOM 499 OD1 ASP A 34 9.355 -28.642 -10.743 1.00 55.12 O ATOM 500 OD2 ASP A 34 10.680 -27.929 -9.141 1.00 54.23 O ATOM 0 H ASP A 34 7.196 -28.663 -6.449 1.00 2.20 H new ATOM 0 HA ASP A 34 7.712 -30.363 -8.678 1.00 61.51 H new ATOM 0 HB2 ASP A 34 7.489 -28.038 -9.102 1.00 50.32 H new ATOM 0 HB3 ASP A 34 8.574 -27.598 -7.797 1.00 50.32 H new ATOM 505 N ASP A 35 10.060 -29.993 -6.418 1.00 33.23 N ATOM 506 CA ASP A 35 11.345 -30.507 -5.960 1.00 64.44 C ATOM 507 C ASP A 35 11.302 -32.025 -5.812 1.00 30.10 C ATOM 508 O ASP A 35 12.338 -32.689 -5.808 1.00 50.52 O ATOM 509 CB ASP A 35 11.732 -29.863 -4.628 1.00 72.11 C ATOM 510 CG ASP A 35 13.219 -29.589 -4.527 1.00 65.23 C ATOM 511 OD1 ASP A 35 13.857 -30.112 -3.589 1.00 1.31 O ATOM 512 OD2 ASP A 35 13.746 -28.853 -5.387 1.00 63.23 O ATOM 0 H ASP A 35 9.594 -29.373 -5.756 1.00 33.23 H new ATOM 0 HA ASP A 35 12.096 -30.254 -6.708 1.00 64.44 H new ATOM 0 HB2 ASP A 35 11.184 -28.928 -4.507 1.00 72.11 H new ATOM 0 HB3 ASP A 35 11.430 -30.517 -3.810 1.00 72.11 H new ATOM 517 N GLY A 36 10.095 -32.568 -5.689 1.00 34.43 N ATOM 518 CA GLY A 36 9.939 -34.004 -5.540 1.00 53.43 C ATOM 519 C GLY A 36 9.313 -34.385 -4.213 1.00 40.33 C ATOM 520 O GLY A 36 8.619 -35.397 -4.113 1.00 15.32 O ATOM 0 H GLY A 36 9.222 -32.040 -5.690 1.00 34.43 H new ATOM 0 HA2 GLY A 36 9.321 -34.385 -6.353 1.00 53.43 H new ATOM 0 HA3 GLY A 36 10.914 -34.483 -5.629 1.00 53.43 H new ATOM 524 N THR A 37 9.560 -33.573 -3.189 1.00 70.35 N ATOM 525 CA THR A 37 9.018 -33.832 -1.861 1.00 45.14 C ATOM 526 C THR A 37 7.511 -33.608 -1.829 1.00 70.01 C ATOM 527 O THR A 37 6.879 -33.415 -2.868 1.00 44.01 O ATOM 528 CB THR A 37 9.682 -32.935 -0.800 1.00 1.34 C ATOM 529 OG1 THR A 37 9.300 -31.570 -1.004 1.00 4.23 O ATOM 530 CG2 THR A 37 11.197 -33.057 -0.858 1.00 63.12 C ATOM 0 H THR A 37 10.132 -32.731 -3.254 1.00 70.35 H new ATOM 0 HA THR A 37 9.232 -34.875 -1.630 1.00 45.14 H new ATOM 0 HB THR A 37 9.345 -33.263 0.183 1.00 1.34 H new ATOM 0 HG1 THR A 37 10.073 -30.988 -0.851 1.00 4.23 H new ATOM 0 HG21 THR A 37 11.643 -32.414 -0.099 1.00 63.12 H new ATOM 0 HG22 THR A 37 11.486 -34.092 -0.673 1.00 63.12 H new ATOM 0 HG23 THR A 37 11.549 -32.753 -1.844 1.00 63.12 H new ATOM 538 N VAL A 38 6.939 -33.634 -0.630 1.00 31.45 N ATOM 539 CA VAL A 38 5.505 -33.432 -0.462 1.00 33.32 C ATOM 540 C VAL A 38 5.212 -32.538 0.737 1.00 3.35 C ATOM 541 O VAL A 38 5.757 -32.739 1.824 1.00 61.02 O ATOM 542 CB VAL A 38 4.767 -34.772 -0.281 1.00 55.01 C ATOM 543 CG1 VAL A 38 3.313 -34.534 0.098 1.00 53.13 C ATOM 544 CG2 VAL A 38 4.866 -35.610 -1.547 1.00 51.52 C ATOM 0 H VAL A 38 7.447 -33.793 0.240 1.00 31.45 H new ATOM 0 HA VAL A 38 5.146 -32.947 -1.370 1.00 33.32 H new ATOM 0 HB VAL A 38 5.244 -35.323 0.530 1.00 55.01 H new ATOM 0 HG11 VAL A 38 2.808 -35.492 0.222 1.00 53.13 H new ATOM 0 HG12 VAL A 38 3.267 -33.976 1.033 1.00 53.13 H new ATOM 0 HG13 VAL A 38 2.821 -33.963 -0.689 1.00 53.13 H new ATOM 0 HG21 VAL A 38 4.339 -36.553 -1.401 1.00 51.52 H new ATOM 0 HG22 VAL A 38 4.416 -35.068 -2.378 1.00 51.52 H new ATOM 0 HG23 VAL A 38 5.914 -35.811 -1.770 1.00 51.52 H new ATOM 554 N LEU A 39 4.349 -31.549 0.534 1.00 33.03 N ATOM 555 CA LEU A 39 3.982 -30.622 1.600 1.00 62.24 C ATOM 556 C LEU A 39 3.144 -31.321 2.665 1.00 23.33 C ATOM 557 O LEU A 39 2.213 -32.064 2.350 1.00 3.32 O ATOM 558 CB LEU A 39 3.209 -29.434 1.025 1.00 0.10 C ATOM 559 CG LEU A 39 3.782 -28.049 1.330 1.00 64.53 C ATOM 560 CD1 LEU A 39 3.808 -27.801 2.830 1.00 51.32 C ATOM 561 CD2 LEU A 39 5.178 -27.909 0.740 1.00 41.30 C ATOM 0 H LEU A 39 3.890 -31.368 -0.359 1.00 33.03 H new ATOM 0 HA LEU A 39 4.899 -30.260 2.065 1.00 62.24 H new ATOM 0 HB2 LEU A 39 3.153 -29.552 -0.057 1.00 0.10 H new ATOM 0 HB3 LEU A 39 2.187 -29.474 1.403 1.00 0.10 H new ATOM 0 HG LEU A 39 3.137 -27.300 0.870 1.00 64.53 H new ATOM 0 HD11 LEU A 39 4.219 -26.811 3.028 1.00 51.32 H new ATOM 0 HD12 LEU A 39 2.794 -27.859 3.226 1.00 51.32 H new ATOM 0 HD13 LEU A 39 4.430 -28.555 3.313 1.00 51.32 H new ATOM 0 HD21 LEU A 39 5.571 -26.918 0.966 1.00 41.30 H new ATOM 0 HD22 LEU A 39 5.833 -28.666 1.171 1.00 41.30 H new ATOM 0 HD23 LEU A 39 5.131 -28.043 -0.341 1.00 41.30 H new ATOM 573 N LEU A 40 3.479 -31.078 3.928 1.00 43.15 N ATOM 574 CA LEU A 40 2.756 -31.682 5.041 1.00 23.21 C ATOM 575 C LEU A 40 1.252 -31.477 4.890 1.00 45.33 C ATOM 576 O LEU A 40 0.459 -32.361 5.213 1.00 44.10 O ATOM 577 CB LEU A 40 3.233 -31.087 6.367 1.00 31.13 C ATOM 578 CG LEU A 40 2.902 -31.895 7.623 1.00 42.12 C ATOM 579 CD1 LEU A 40 1.411 -31.840 7.915 1.00 32.32 C ATOM 580 CD2 LEU A 40 3.365 -33.336 7.467 1.00 74.32 C ATOM 0 H LEU A 40 4.247 -30.467 4.206 1.00 43.15 H new ATOM 0 HA LEU A 40 2.960 -32.753 5.036 1.00 23.21 H new ATOM 0 HB2 LEU A 40 4.314 -30.958 6.316 1.00 31.13 H new ATOM 0 HB3 LEU A 40 2.798 -30.093 6.474 1.00 31.13 H new ATOM 0 HG LEU A 40 3.433 -31.454 8.467 1.00 42.12 H new ATOM 0 HD11 LEU A 40 1.194 -32.420 8.812 1.00 32.32 H new ATOM 0 HD12 LEU A 40 1.109 -30.804 8.071 1.00 32.32 H new ATOM 0 HD13 LEU A 40 0.860 -32.256 7.072 1.00 32.32 H new ATOM 0 HD21 LEU A 40 3.121 -33.896 8.370 1.00 74.32 H new ATOM 0 HD22 LEU A 40 2.863 -33.789 6.612 1.00 74.32 H new ATOM 0 HD23 LEU A 40 4.443 -33.357 7.307 1.00 74.32 H new ATOM 592 N SER A 41 0.867 -30.305 4.394 1.00 25.00 N ATOM 593 CA SER A 41 -0.541 -29.983 4.201 1.00 54.42 C ATOM 594 C SER A 41 -1.222 -31.026 3.320 1.00 22.33 C ATOM 595 O SER A 41 -2.391 -31.358 3.520 1.00 61.22 O ATOM 596 CB SER A 41 -0.687 -28.595 3.572 1.00 34.34 C ATOM 597 OG SER A 41 -2.047 -28.197 3.525 1.00 24.24 O ATOM 0 H SER A 41 1.511 -29.563 4.119 1.00 25.00 H new ATOM 0 HA SER A 41 -1.025 -29.985 5.177 1.00 54.42 H new ATOM 0 HB2 SER A 41 -0.112 -27.869 4.147 1.00 34.34 H new ATOM 0 HB3 SER A 41 -0.272 -28.604 2.564 1.00 34.34 H new ATOM 0 HG SER A 41 -2.114 -27.307 3.121 1.00 24.24 H new ATOM 603 N THR A 42 -0.481 -31.542 2.344 1.00 50.51 N ATOM 604 CA THR A 42 -1.011 -32.546 1.431 1.00 32.52 C ATOM 605 C THR A 42 -1.152 -33.898 2.123 1.00 43.33 C ATOM 606 O THR A 42 -2.139 -34.607 1.927 1.00 65.24 O ATOM 607 CB THR A 42 -0.113 -32.708 0.191 1.00 63.54 C ATOM 608 OG1 THR A 42 -0.004 -31.460 -0.502 1.00 1.21 O ATOM 609 CG2 THR A 42 -0.672 -33.768 -0.748 1.00 5.53 C ATOM 0 H THR A 42 0.489 -31.280 2.166 1.00 50.51 H new ATOM 0 HA THR A 42 -1.994 -32.198 1.115 1.00 32.52 H new ATOM 0 HB THR A 42 0.875 -33.025 0.525 1.00 63.54 H new ATOM 0 HG1 THR A 42 0.570 -31.572 -1.288 1.00 1.21 H new ATOM 0 HG21 THR A 42 -0.021 -33.865 -1.617 1.00 5.53 H new ATOM 0 HG22 THR A 42 -0.726 -34.724 -0.227 1.00 5.53 H new ATOM 0 HG23 THR A 42 -1.670 -33.476 -1.074 1.00 5.53 H new ATOM 617 N VAL A 43 -0.159 -34.248 2.934 1.00 64.42 N ATOM 618 CA VAL A 43 -0.173 -35.515 3.656 1.00 4.34 C ATOM 619 C VAL A 43 -1.397 -35.619 4.559 1.00 4.54 C ATOM 620 O VAL A 43 -2.119 -36.615 4.533 1.00 75.31 O ATOM 621 CB VAL A 43 1.098 -35.688 4.510 1.00 13.21 C ATOM 622 CG1 VAL A 43 0.875 -36.732 5.594 1.00 51.24 C ATOM 623 CG2 VAL A 43 2.282 -36.063 3.632 1.00 10.02 C ATOM 0 H VAL A 43 0.665 -33.672 3.108 1.00 64.42 H new ATOM 0 HA VAL A 43 -0.209 -36.306 2.907 1.00 4.34 H new ATOM 0 HB VAL A 43 1.321 -34.738 4.995 1.00 13.21 H new ATOM 0 HG11 VAL A 43 1.783 -36.841 6.187 1.00 51.24 H new ATOM 0 HG12 VAL A 43 0.056 -36.417 6.240 1.00 51.24 H new ATOM 0 HG13 VAL A 43 0.626 -37.688 5.133 1.00 51.24 H new ATOM 0 HG21 VAL A 43 3.171 -36.181 4.251 1.00 10.02 H new ATOM 0 HG22 VAL A 43 2.071 -37.000 3.117 1.00 10.02 H new ATOM 0 HG23 VAL A 43 2.454 -35.276 2.897 1.00 10.02 H new ATOM 633 N THR A 44 -1.625 -34.581 5.359 1.00 21.54 N ATOM 634 CA THR A 44 -2.761 -34.556 6.272 1.00 51.53 C ATOM 635 C THR A 44 -4.080 -34.583 5.508 1.00 11.30 C ATOM 636 O THR A 44 -5.101 -35.031 6.029 1.00 23.41 O ATOM 637 CB THR A 44 -2.729 -33.307 7.174 1.00 62.42 C ATOM 638 OG1 THR A 44 -2.692 -32.123 6.370 1.00 3.11 O ATOM 639 CG2 THR A 44 -1.520 -33.338 8.097 1.00 32.10 C ATOM 0 H THR A 44 -1.038 -33.747 5.393 1.00 21.54 H new ATOM 0 HA THR A 44 -2.686 -35.447 6.895 1.00 51.53 H new ATOM 0 HB THR A 44 -3.632 -33.303 7.784 1.00 62.42 H new ATOM 0 HG1 THR A 44 -2.615 -32.371 5.425 1.00 3.11 H new ATOM 0 HG21 THR A 44 -1.518 -32.447 8.724 1.00 32.10 H new ATOM 0 HG22 THR A 44 -1.567 -34.226 8.728 1.00 32.10 H new ATOM 0 HG23 THR A 44 -0.608 -33.364 7.501 1.00 32.10 H new ATOM 647 N ALA A 45 -4.052 -34.100 4.270 1.00 62.30 N ATOM 648 CA ALA A 45 -5.245 -34.072 3.434 1.00 72.14 C ATOM 649 C ALA A 45 -5.945 -35.427 3.430 1.00 14.24 C ATOM 650 O ALA A 45 -7.160 -35.508 3.614 1.00 5.35 O ATOM 651 CB ALA A 45 -4.885 -33.658 2.014 1.00 34.43 C ATOM 0 H ALA A 45 -3.216 -33.723 3.824 1.00 62.30 H new ATOM 0 HA ALA A 45 -5.934 -33.338 3.852 1.00 72.14 H new ATOM 0 HB1 ALA A 45 -5.786 -33.641 1.400 1.00 34.43 H new ATOM 0 HB2 ALA A 45 -4.437 -32.665 2.027 1.00 34.43 H new ATOM 0 HB3 ALA A 45 -4.175 -34.371 1.596 1.00 34.43 H new ATOM 657 N GLN A 46 -5.172 -36.487 3.219 1.00 11.15 N ATOM 658 CA GLN A 46 -5.720 -37.838 3.191 1.00 0.10 C ATOM 659 C GLN A 46 -5.336 -38.608 4.451 1.00 53.45 C ATOM 660 O GLN A 46 -6.103 -39.437 4.942 1.00 42.54 O ATOM 661 CB GLN A 46 -5.225 -38.586 1.952 1.00 53.44 C ATOM 662 CG GLN A 46 -4.955 -37.679 0.762 1.00 55.05 C ATOM 663 CD GLN A 46 -4.406 -38.433 -0.434 1.00 14.33 C ATOM 664 OE1 GLN A 46 -4.882 -38.269 -1.558 1.00 1.44 O ATOM 665 NE2 GLN A 46 -3.399 -39.265 -0.197 1.00 74.32 N ATOM 0 H GLN A 46 -4.165 -36.437 3.065 1.00 11.15 H new ATOM 0 HA GLN A 46 -6.807 -37.761 3.151 1.00 0.10 H new ATOM 0 HB2 GLN A 46 -4.311 -39.124 2.203 1.00 53.44 H new ATOM 0 HB3 GLN A 46 -5.966 -39.333 1.668 1.00 53.44 H new ATOM 0 HG2 GLN A 46 -5.879 -37.176 0.477 1.00 55.05 H new ATOM 0 HG3 GLN A 46 -4.247 -36.904 1.054 1.00 55.05 H new ATOM 0 HE21 GLN A 46 -3.036 -39.370 0.750 1.00 74.32 H new ATOM 0 HE22 GLN A 46 -2.988 -39.800 -0.962 1.00 74.32 H new ATOM 674 N PHE A 47 -4.145 -38.328 4.969 1.00 61.22 N ATOM 675 CA PHE A 47 -3.659 -38.995 6.171 1.00 64.42 C ATOM 676 C PHE A 47 -3.518 -38.005 7.323 1.00 35.45 C ATOM 677 O PHE A 47 -2.420 -37.573 7.673 1.00 13.54 O ATOM 678 CB PHE A 47 -2.313 -39.670 5.896 1.00 2.24 C ATOM 679 CG PHE A 47 -2.200 -40.242 4.512 1.00 34.13 C ATOM 680 CD1 PHE A 47 -1.127 -39.917 3.699 1.00 40.21 C ATOM 681 CD2 PHE A 47 -3.168 -41.105 4.025 1.00 74.25 C ATOM 682 CE1 PHE A 47 -1.020 -40.442 2.425 1.00 72.12 C ATOM 683 CE2 PHE A 47 -3.067 -41.634 2.752 1.00 42.24 C ATOM 684 CZ PHE A 47 -1.992 -41.301 1.950 1.00 11.13 C ATOM 0 H PHE A 47 -3.499 -37.644 4.575 1.00 61.22 H new ATOM 0 HA PHE A 47 -4.388 -39.754 6.455 1.00 64.42 H new ATOM 0 HB2 PHE A 47 -1.514 -38.944 6.047 1.00 2.24 H new ATOM 0 HB3 PHE A 47 -2.160 -40.467 6.623 1.00 2.24 H new ATOM 0 HD1 PHE A 47 -0.365 -39.245 4.065 1.00 40.21 H new ATOM 0 HD2 PHE A 47 -4.011 -41.367 4.647 1.00 74.25 H new ATOM 0 HE1 PHE A 47 -0.178 -40.181 1.802 1.00 72.12 H new ATOM 0 HE2 PHE A 47 -3.828 -42.307 2.384 1.00 42.24 H new ATOM 0 HZ PHE A 47 -1.912 -41.711 0.954 1.00 11.13 H new ATOM 694 N PRO A 48 -4.658 -37.637 7.928 1.00 23.12 N ATOM 695 CA PRO A 48 -4.689 -36.694 9.050 1.00 33.22 C ATOM 696 C PRO A 48 -4.091 -37.286 10.322 1.00 43.03 C ATOM 697 O PRO A 48 -4.512 -38.346 10.783 1.00 41.21 O ATOM 698 CB PRO A 48 -6.183 -36.419 9.240 1.00 0.02 C ATOM 699 CG PRO A 48 -6.863 -37.628 8.697 1.00 31.23 C ATOM 700 CD PRO A 48 -6.003 -38.113 7.564 1.00 65.24 C ATOM 0 HA PRO A 48 -4.099 -35.800 8.848 1.00 33.22 H new ATOM 0 HB2 PRO A 48 -6.427 -36.266 10.291 1.00 0.02 H new ATOM 0 HB3 PRO A 48 -6.491 -35.519 8.708 1.00 0.02 H new ATOM 0 HG2 PRO A 48 -6.967 -38.395 9.464 1.00 31.23 H new ATOM 0 HG3 PRO A 48 -7.868 -37.387 8.349 1.00 31.23 H new ATOM 0 HD2 PRO A 48 -6.034 -39.199 7.473 1.00 65.24 H new ATOM 0 HD3 PRO A 48 -6.329 -37.703 6.608 1.00 65.24 H new ATOM 708 N GLY A 49 -3.105 -36.593 10.885 1.00 72.23 N ATOM 709 CA GLY A 49 -2.465 -37.066 12.098 1.00 31.02 C ATOM 710 C GLY A 49 -1.182 -37.824 11.820 1.00 74.25 C ATOM 711 O GLY A 49 -0.301 -37.902 12.675 1.00 51.11 O ATOM 0 H GLY A 49 -2.739 -35.713 10.522 1.00 72.23 H new ATOM 0 HA2 GLY A 49 -2.248 -36.216 12.746 1.00 31.02 H new ATOM 0 HA3 GLY A 49 -3.155 -37.712 12.641 1.00 31.02 H new ATOM 715 N ALA A 50 -1.078 -38.386 10.620 1.00 61.42 N ATOM 716 CA ALA A 50 0.106 -39.142 10.231 1.00 43.02 C ATOM 717 C ALA A 50 1.358 -38.273 10.297 1.00 71.35 C ATOM 718 O ALA A 50 1.663 -37.536 9.359 1.00 51.34 O ATOM 719 CB ALA A 50 -0.069 -39.714 8.832 1.00 43.02 C ATOM 0 H ALA A 50 -1.799 -38.332 9.901 1.00 61.42 H new ATOM 0 HA ALA A 50 0.229 -39.965 10.935 1.00 43.02 H new ATOM 0 HB1 ALA A 50 0.823 -40.276 8.555 1.00 43.02 H new ATOM 0 HB2 ALA A 50 -0.935 -40.376 8.815 1.00 43.02 H new ATOM 0 HB3 ALA A 50 -0.220 -38.900 8.123 1.00 43.02 H new ATOM 725 N CYS A 51 2.078 -38.365 11.409 1.00 60.01 N ATOM 726 CA CYS A 51 3.297 -37.586 11.597 1.00 15.33 C ATOM 727 C CYS A 51 4.435 -38.144 10.750 1.00 42.42 C ATOM 728 O CYS A 51 5.267 -37.395 10.239 1.00 1.10 O ATOM 729 CB CYS A 51 3.699 -37.578 13.073 1.00 70.33 C ATOM 730 SG CYS A 51 4.530 -36.063 13.604 1.00 55.42 S ATOM 0 H CYS A 51 1.839 -38.971 12.194 1.00 60.01 H new ATOM 0 HA CYS A 51 3.098 -36.563 11.277 1.00 15.33 H new ATOM 0 HB2 CYS A 51 2.807 -37.723 13.682 1.00 70.33 H new ATOM 0 HB3 CYS A 51 4.356 -38.426 13.264 1.00 70.33 H new ATOM 0 HG CYS A 51 4.828 -36.151 14.866 1.00 55.42 H new ATOM 736 N GLY A 52 4.467 -39.465 10.606 1.00 73.11 N ATOM 737 CA GLY A 52 5.509 -40.101 9.821 1.00 35.32 C ATOM 738 C GLY A 52 4.980 -41.237 8.967 1.00 13.34 C ATOM 739 O GLY A 52 4.077 -41.966 9.381 1.00 41.14 O ATOM 0 H GLY A 52 3.790 -40.106 11.019 1.00 73.11 H new ATOM 0 HA2 GLY A 52 5.981 -39.357 9.179 1.00 35.32 H new ATOM 0 HA3 GLY A 52 6.282 -40.482 10.489 1.00 35.32 H new ATOM 743 N LEU A 53 5.541 -41.387 7.773 1.00 73.23 N ATOM 744 CA LEU A 53 5.119 -42.442 6.857 1.00 41.52 C ATOM 745 C LEU A 53 6.241 -43.450 6.634 1.00 22.55 C ATOM 746 O LEU A 53 7.410 -43.080 6.529 1.00 65.03 O ATOM 747 CB LEU A 53 4.687 -41.839 5.519 1.00 71.22 C ATOM 748 CG LEU A 53 3.812 -40.587 5.598 1.00 63.45 C ATOM 749 CD1 LEU A 53 2.803 -40.712 6.728 1.00 10.43 C ATOM 750 CD2 LEU A 53 4.673 -39.346 5.782 1.00 20.24 C ATOM 0 H LEU A 53 6.289 -40.792 7.416 1.00 73.23 H new ATOM 0 HA LEU A 53 4.272 -42.962 7.305 1.00 41.52 H new ATOM 0 HB2 LEU A 53 5.582 -41.597 4.947 1.00 71.22 H new ATOM 0 HB3 LEU A 53 4.146 -42.601 4.958 1.00 71.22 H new ATOM 0 HG LEU A 53 3.265 -40.489 4.660 1.00 63.45 H new ATOM 0 HD11 LEU A 53 2.189 -39.812 6.769 1.00 10.43 H new ATOM 0 HD12 LEU A 53 2.165 -41.578 6.552 1.00 10.43 H new ATOM 0 HD13 LEU A 53 3.330 -40.835 7.674 1.00 10.43 H new ATOM 0 HD21 LEU A 53 4.034 -38.465 5.836 1.00 20.24 H new ATOM 0 HD22 LEU A 53 5.247 -39.435 6.704 1.00 20.24 H new ATOM 0 HD23 LEU A 53 5.355 -39.248 4.938 1.00 20.24 H new ATOM 762 N ARG A 54 5.877 -44.727 6.563 1.00 51.45 N ATOM 763 CA ARG A 54 6.853 -45.789 6.352 1.00 52.05 C ATOM 764 C ARG A 54 6.769 -46.329 4.927 1.00 73.30 C ATOM 765 O ARG A 54 5.791 -46.090 4.218 1.00 41.51 O ATOM 766 CB ARG A 54 6.628 -46.923 7.353 1.00 72.52 C ATOM 767 CG ARG A 54 7.862 -47.269 8.169 1.00 24.20 C ATOM 768 CD ARG A 54 7.913 -48.752 8.502 1.00 71.11 C ATOM 769 NE ARG A 54 7.771 -48.997 9.935 1.00 54.43 N ATOM 770 CZ ARG A 54 8.713 -48.711 10.826 1.00 22.51 C ATOM 771 NH1 ARG A 54 9.860 -48.174 10.434 1.00 23.31 N ATOM 772 NH2 ARG A 54 8.509 -48.963 12.113 1.00 62.31 N ATOM 0 H ARG A 54 4.913 -45.051 6.649 1.00 51.45 H new ATOM 0 HA ARG A 54 7.848 -45.370 6.505 1.00 52.05 H new ATOM 0 HB2 ARG A 54 5.821 -46.643 8.031 1.00 72.52 H new ATOM 0 HB3 ARG A 54 6.298 -47.811 6.814 1.00 72.52 H new ATOM 0 HG2 ARG A 54 8.757 -46.989 7.613 1.00 24.20 H new ATOM 0 HG3 ARG A 54 7.864 -46.688 9.091 1.00 24.20 H new ATOM 0 HD2 ARG A 54 7.119 -49.271 7.965 1.00 71.11 H new ATOM 0 HD3 ARG A 54 8.858 -49.169 8.155 1.00 71.11 H new ATOM 0 HE ARG A 54 6.901 -49.410 10.269 1.00 54.43 H new ATOM 0 HH11 ARG A 54 10.021 -47.979 9.446 1.00 23.31 H new ATOM 0 HH12 ARG A 54 10.582 -47.955 11.121 1.00 23.31 H new ATOM 0 HH21 ARG A 54 7.628 -49.377 12.418 1.00 62.31 H new ATOM 0 HH22 ARG A 54 9.233 -48.743 12.797 1.00 62.31 H new ATOM 786 N TYR A 55 7.800 -47.058 4.515 1.00 74.53 N ATOM 787 CA TYR A 55 7.844 -47.630 3.174 1.00 31.22 C ATOM 788 C TYR A 55 7.535 -49.124 3.208 1.00 14.24 C ATOM 789 O TYR A 55 8.143 -49.878 3.968 1.00 43.23 O ATOM 790 CB TYR A 55 9.217 -47.397 2.543 1.00 43.24 C ATOM 791 CG TYR A 55 9.178 -46.508 1.320 1.00 64.32 C ATOM 792 CD1 TYR A 55 8.471 -46.886 0.185 1.00 63.01 C ATOM 793 CD2 TYR A 55 9.849 -45.292 1.299 1.00 42.22 C ATOM 794 CE1 TYR A 55 8.433 -46.078 -0.935 1.00 44.10 C ATOM 795 CE2 TYR A 55 9.816 -44.477 0.184 1.00 14.31 C ATOM 796 CZ TYR A 55 9.107 -44.874 -0.930 1.00 74.13 C ATOM 797 OH TYR A 55 9.072 -44.066 -2.043 1.00 51.43 O ATOM 0 H TYR A 55 8.616 -47.267 5.090 1.00 74.53 H new ATOM 0 HA TYR A 55 7.084 -47.134 2.570 1.00 31.22 H new ATOM 0 HB2 TYR A 55 9.878 -46.950 3.286 1.00 43.24 H new ATOM 0 HB3 TYR A 55 9.650 -48.359 2.269 1.00 43.24 H new ATOM 0 HD1 TYR A 55 7.942 -47.828 0.178 1.00 63.01 H new ATOM 0 HD2 TYR A 55 10.406 -44.978 2.169 1.00 42.22 H new ATOM 0 HE1 TYR A 55 7.879 -46.387 -1.809 1.00 44.10 H new ATOM 0 HE2 TYR A 55 10.343 -43.534 0.185 1.00 14.31 H new ATOM 0 HH TYR A 55 8.294 -44.299 -2.592 1.00 51.43 H new ATOM 807 N ARG A 56 6.584 -49.544 2.380 1.00 44.34 N ATOM 808 CA ARG A 56 6.193 -50.947 2.314 1.00 13.53 C ATOM 809 C ARG A 56 6.221 -51.452 0.875 1.00 71.40 C ATOM 810 O ARG A 56 5.286 -51.225 0.108 1.00 1.14 O ATOM 811 CB ARG A 56 4.794 -51.136 2.905 1.00 5.24 C ATOM 812 CG ARG A 56 4.117 -52.424 2.466 1.00 11.54 C ATOM 813 CD ARG A 56 4.999 -53.634 2.728 1.00 71.31 C ATOM 814 NE ARG A 56 4.438 -54.854 2.153 1.00 24.20 N ATOM 815 CZ ARG A 56 4.753 -56.075 2.570 1.00 23.43 C ATOM 816 NH1 ARG A 56 5.620 -56.238 3.561 1.00 75.32 N ATOM 817 NH2 ARG A 56 4.201 -57.137 1.997 1.00 51.22 N ATOM 0 H ARG A 56 6.070 -48.933 1.746 1.00 44.34 H new ATOM 0 HA ARG A 56 6.909 -51.526 2.898 1.00 13.53 H new ATOM 0 HB2 ARG A 56 4.864 -51.124 3.993 1.00 5.24 H new ATOM 0 HB3 ARG A 56 4.170 -50.290 2.616 1.00 5.24 H new ATOM 0 HG2 ARG A 56 3.172 -52.539 2.997 1.00 11.54 H new ATOM 0 HG3 ARG A 56 3.880 -52.368 1.403 1.00 11.54 H new ATOM 0 HD2 ARG A 56 5.990 -53.458 2.309 1.00 71.31 H new ATOM 0 HD3 ARG A 56 5.126 -53.765 3.803 1.00 71.31 H new ATOM 0 HE ARG A 56 3.768 -54.763 1.390 1.00 24.20 H new ATOM 0 HH11 ARG A 56 6.046 -55.424 4.005 1.00 75.32 H new ATOM 0 HH12 ARG A 56 5.860 -57.177 3.879 1.00 75.32 H new ATOM 0 HH21 ARG A 56 3.534 -57.016 1.235 1.00 51.22 H new ATOM 0 HH22 ARG A 56 4.444 -58.074 2.318 1.00 51.22 H new ATOM 831 N ASN A 57 7.301 -52.139 0.516 1.00 74.24 N ATOM 832 CA ASN A 57 7.451 -52.676 -0.832 1.00 22.41 C ATOM 833 C ASN A 57 7.551 -54.199 -0.803 1.00 1.54 C ATOM 834 O ASN A 57 8.218 -54.785 0.050 1.00 71.41 O ATOM 835 CB ASN A 57 8.693 -52.085 -1.503 1.00 74.41 C ATOM 836 CG ASN A 57 8.428 -51.658 -2.934 1.00 62.40 C ATOM 837 OD1 ASN A 57 7.314 -51.267 -3.281 1.00 33.01 O ATOM 838 ND2 ASN A 57 9.455 -51.732 -3.773 1.00 22.33 N ATOM 0 H ASN A 57 8.084 -52.337 1.139 1.00 74.24 H new ATOM 0 HA ASN A 57 6.568 -52.398 -1.408 1.00 22.41 H new ATOM 0 HB2 ASN A 57 9.039 -51.226 -0.928 1.00 74.41 H new ATOM 0 HB3 ASN A 57 9.496 -52.822 -1.489 1.00 74.41 H new ATOM 0 HD21 ASN A 57 9.337 -51.459 -4.749 1.00 22.33 H new ATOM 0 HD22 ASN A 57 10.361 -52.062 -3.442 1.00 22.33 H new ATOM 845 N PRO A 58 6.873 -54.854 -1.756 1.00 63.43 N ATOM 846 CA PRO A 58 6.871 -56.316 -1.862 1.00 72.54 C ATOM 847 C PRO A 58 8.222 -56.868 -2.306 1.00 15.11 C ATOM 848 O PRO A 58 8.618 -57.963 -1.906 1.00 1.41 O ATOM 849 CB PRO A 58 5.805 -56.593 -2.926 1.00 20.13 C ATOM 850 CG PRO A 58 5.759 -55.352 -3.748 1.00 1.40 C ATOM 851 CD PRO A 58 6.058 -54.219 -2.805 1.00 33.11 C ATOM 0 HA PRO A 58 6.671 -56.793 -0.903 1.00 72.54 H new ATOM 0 HB2 PRO A 58 6.067 -57.460 -3.532 1.00 20.13 H new ATOM 0 HB3 PRO A 58 4.837 -56.803 -2.471 1.00 20.13 H new ATOM 0 HG2 PRO A 58 6.491 -55.391 -4.555 1.00 1.40 H new ATOM 0 HG3 PRO A 58 4.780 -55.227 -4.211 1.00 1.40 H new ATOM 0 HD2 PRO A 58 6.599 -53.414 -3.303 1.00 33.11 H new ATOM 0 HD3 PRO A 58 5.145 -53.784 -2.397 1.00 33.11 H new ATOM 859 N VAL A 59 8.925 -56.103 -3.134 1.00 51.54 N ATOM 860 CA VAL A 59 10.232 -56.514 -3.631 1.00 65.01 C ATOM 861 C VAL A 59 11.338 -56.126 -2.656 1.00 11.23 C ATOM 862 O VAL A 59 12.367 -56.796 -2.569 1.00 11.21 O ATOM 863 CB VAL A 59 10.533 -55.888 -5.006 1.00 60.30 C ATOM 864 CG1 VAL A 59 9.564 -56.413 -6.055 1.00 24.01 C ATOM 865 CG2 VAL A 59 10.473 -54.370 -4.925 1.00 31.52 C ATOM 0 H VAL A 59 8.611 -55.194 -3.475 1.00 51.54 H new ATOM 0 HA VAL A 59 10.204 -57.599 -3.732 1.00 65.01 H new ATOM 0 HB VAL A 59 11.542 -56.173 -5.303 1.00 60.30 H new ATOM 0 HG11 VAL A 59 9.792 -55.960 -7.020 1.00 24.01 H new ATOM 0 HG12 VAL A 59 9.661 -57.496 -6.131 1.00 24.01 H new ATOM 0 HG13 VAL A 59 8.544 -56.160 -5.767 1.00 24.01 H new ATOM 0 HG21 VAL A 59 10.688 -53.945 -5.905 1.00 31.52 H new ATOM 0 HG22 VAL A 59 9.477 -54.062 -4.606 1.00 31.52 H new ATOM 0 HG23 VAL A 59 11.211 -54.015 -4.205 1.00 31.52 H new ATOM 875 N SER A 60 11.118 -55.039 -1.923 1.00 31.15 N ATOM 876 CA SER A 60 12.097 -54.559 -0.955 1.00 1.14 C ATOM 877 C SER A 60 11.935 -55.274 0.383 1.00 33.21 C ATOM 878 O SER A 60 12.899 -55.445 1.128 1.00 0.54 O ATOM 879 CB SER A 60 11.954 -53.048 -0.759 1.00 33.42 C ATOM 880 OG SER A 60 13.186 -52.465 -0.371 1.00 74.04 O ATOM 0 H SER A 60 10.271 -54.474 -1.981 1.00 31.15 H new ATOM 0 HA SER A 60 13.092 -54.775 -1.345 1.00 1.14 H new ATOM 0 HB2 SER A 60 11.607 -52.589 -1.685 1.00 33.42 H new ATOM 0 HB3 SER A 60 11.198 -52.847 -0.000 1.00 33.42 H new ATOM 0 HG SER A 60 13.068 -51.499 -0.254 1.00 74.04 H new ATOM 886 N GLN A 61 10.708 -55.690 0.679 1.00 34.23 N ATOM 887 CA GLN A 61 10.418 -56.387 1.927 1.00 10.53 C ATOM 888 C GLN A 61 10.672 -55.481 3.128 1.00 41.33 C ATOM 889 O GLN A 61 11.117 -55.939 4.180 1.00 25.44 O ATOM 890 CB GLN A 61 11.270 -57.652 2.039 1.00 35.31 C ATOM 891 CG GLN A 61 11.275 -58.495 0.774 1.00 23.42 C ATOM 892 CD GLN A 61 10.924 -59.946 1.038 1.00 34.22 C ATOM 893 OE1 GLN A 61 9.902 -60.445 0.565 1.00 22.43 O ATOM 894 NE2 GLN A 61 11.770 -60.632 1.797 1.00 23.21 N ATOM 0 H GLN A 61 9.899 -55.557 0.072 1.00 34.23 H new ATOM 0 HA GLN A 61 9.364 -56.666 1.922 1.00 10.53 H new ATOM 0 HB2 GLN A 61 12.294 -57.370 2.282 1.00 35.31 H new ATOM 0 HB3 GLN A 61 10.901 -58.257 2.867 1.00 35.31 H new ATOM 0 HG2 GLN A 61 10.564 -58.077 0.061 1.00 23.42 H new ATOM 0 HG3 GLN A 61 12.260 -58.442 0.311 1.00 23.42 H new ATOM 0 HE21 GLN A 61 12.605 -60.179 2.168 1.00 23.21 H new ATOM 0 HE22 GLN A 61 11.585 -61.612 2.009 1.00 23.21 H new ATOM 903 N CYS A 62 10.387 -54.194 2.962 1.00 31.03 N ATOM 904 CA CYS A 62 10.586 -53.223 4.032 1.00 32.05 C ATOM 905 C CYS A 62 12.069 -53.059 4.349 1.00 33.22 C ATOM 906 O CYS A 62 12.824 -54.031 4.352 1.00 12.13 O ATOM 907 CB CYS A 62 9.828 -53.655 5.289 1.00 62.33 C ATOM 908 SG CYS A 62 9.456 -52.302 6.428 1.00 13.14 S ATOM 0 H CYS A 62 10.018 -53.799 2.097 1.00 31.03 H new ATOM 0 HA CYS A 62 10.197 -52.262 3.694 1.00 32.05 H new ATOM 0 HB2 CYS A 62 8.894 -54.132 4.991 1.00 62.33 H new ATOM 0 HB3 CYS A 62 10.417 -54.407 5.815 1.00 62.33 H new ATOM 0 HG CYS A 62 8.812 -52.766 7.458 1.00 13.14 H new ATOM 914 N MET A 63 12.479 -51.823 4.614 1.00 72.04 N ATOM 915 CA MET A 63 13.872 -51.532 4.931 1.00 21.11 C ATOM 916 C MET A 63 14.069 -50.044 5.202 1.00 14.10 C ATOM 917 O MET A 63 14.690 -49.661 6.193 1.00 2.23 O ATOM 918 CB MET A 63 14.782 -51.978 3.785 1.00 25.34 C ATOM 919 CG MET A 63 15.681 -53.151 4.144 1.00 10.34 C ATOM 920 SD MET A 63 17.433 -52.728 4.082 1.00 13.34 S ATOM 921 CE MET A 63 18.129 -54.258 3.463 1.00 14.44 C ATOM 0 H MET A 63 11.867 -51.007 4.615 1.00 72.04 H new ATOM 0 HA MET A 63 14.136 -52.085 5.832 1.00 21.11 H new ATOM 0 HB2 MET A 63 14.166 -52.252 2.928 1.00 25.34 H new ATOM 0 HB3 MET A 63 15.402 -51.137 3.476 1.00 25.34 H new ATOM 0 HG2 MET A 63 15.431 -53.502 5.145 1.00 10.34 H new ATOM 0 HG3 MET A 63 15.486 -53.976 3.459 1.00 10.34 H new ATOM 0 HE1 MET A 63 19.210 -54.154 3.370 1.00 14.44 H new ATOM 0 HE2 MET A 63 17.901 -55.068 4.156 1.00 14.44 H new ATOM 0 HE3 MET A 63 17.701 -54.484 2.487 1.00 14.44 H new ATOM 931 N ARG A 64 13.535 -49.210 4.315 1.00 5.01 N ATOM 932 CA ARG A 64 13.654 -47.764 4.458 1.00 1.05 C ATOM 933 C ARG A 64 12.296 -47.134 4.753 1.00 1.25 C ATOM 934 O ARG A 64 11.285 -47.829 4.849 1.00 44.40 O ATOM 935 CB ARG A 64 14.248 -47.151 3.189 1.00 73.23 C ATOM 936 CG ARG A 64 13.526 -47.567 1.917 1.00 4.01 C ATOM 937 CD ARG A 64 13.416 -46.411 0.936 1.00 42.44 C ATOM 938 NE ARG A 64 14.478 -46.441 -0.067 1.00 13.51 N ATOM 939 CZ ARG A 64 14.563 -47.362 -1.020 1.00 31.23 C ATOM 940 NH1 ARG A 64 13.654 -48.324 -1.099 1.00 61.23 N ATOM 941 NH2 ARG A 64 15.559 -47.322 -1.896 1.00 33.31 N ATOM 0 H ARG A 64 13.016 -49.511 3.490 1.00 5.01 H new ATOM 0 HA ARG A 64 14.320 -47.561 5.297 1.00 1.05 H new ATOM 0 HB2 ARG A 64 14.221 -46.065 3.273 1.00 73.23 H new ATOM 0 HB3 ARG A 64 15.296 -47.439 3.113 1.00 73.23 H new ATOM 0 HG2 ARG A 64 14.060 -48.394 1.448 1.00 4.01 H new ATOM 0 HG3 ARG A 64 12.529 -47.931 2.166 1.00 4.01 H new ATOM 0 HD2 ARG A 64 12.447 -46.448 0.439 1.00 42.44 H new ATOM 0 HD3 ARG A 64 13.459 -45.468 1.481 1.00 42.44 H new ATOM 0 HE ARG A 64 15.193 -45.715 -0.033 1.00 13.51 H new ATOM 0 HH11 ARG A 64 12.887 -48.358 -0.427 1.00 61.23 H new ATOM 0 HH12 ARG A 64 13.721 -49.030 -1.832 1.00 61.23 H new ATOM 0 HH21 ARG A 64 16.260 -46.583 -1.838 1.00 33.31 H new ATOM 0 HH22 ARG A 64 15.623 -48.030 -2.628 1.00 33.31 H new ATOM 955 N GLY A 65 12.281 -45.812 4.897 1.00 3.13 N ATOM 956 CA GLY A 65 11.043 -45.110 5.181 1.00 70.44 C ATOM 957 C GLY A 65 11.053 -43.685 4.664 1.00 74.42 C ATOM 958 O GLY A 65 12.103 -43.046 4.605 1.00 12.41 O ATOM 0 H GLY A 65 13.104 -45.215 4.822 1.00 3.13 H new ATOM 0 HA2 GLY A 65 10.211 -45.651 4.731 1.00 70.44 H new ATOM 0 HA3 GLY A 65 10.872 -45.102 6.258 1.00 70.44 H new ATOM 962 N VAL A 66 9.880 -43.186 4.286 1.00 32.52 N ATOM 963 CA VAL A 66 9.757 -41.828 3.771 1.00 61.12 C ATOM 964 C VAL A 66 10.415 -40.823 4.709 1.00 1.22 C ATOM 965 O VAL A 66 10.140 -40.806 5.909 1.00 25.41 O ATOM 966 CB VAL A 66 8.281 -41.436 3.569 1.00 44.32 C ATOM 967 CG1 VAL A 66 8.171 -39.988 3.115 1.00 20.02 C ATOM 968 CG2 VAL A 66 7.614 -42.369 2.569 1.00 5.43 C ATOM 0 H VAL A 66 9.001 -43.702 4.327 1.00 32.52 H new ATOM 0 HA VAL A 66 10.266 -41.808 2.807 1.00 61.12 H new ATOM 0 HB VAL A 66 7.763 -41.533 4.523 1.00 44.32 H new ATOM 0 HG11 VAL A 66 7.121 -39.729 2.977 1.00 20.02 H new ATOM 0 HG12 VAL A 66 8.610 -39.336 3.870 1.00 20.02 H new ATOM 0 HG13 VAL A 66 8.703 -39.861 2.172 1.00 20.02 H new ATOM 0 HG21 VAL A 66 6.572 -42.077 2.438 1.00 5.43 H new ATOM 0 HG22 VAL A 66 8.131 -42.306 1.612 1.00 5.43 H new ATOM 0 HG23 VAL A 66 7.661 -43.393 2.940 1.00 5.43 H new ATOM 978 N ARG A 67 11.285 -39.985 4.154 1.00 32.11 N ATOM 979 CA ARG A 67 11.983 -38.976 4.942 1.00 61.23 C ATOM 980 C ARG A 67 11.063 -37.801 5.258 1.00 41.41 C ATOM 981 O ARG A 67 10.257 -37.387 4.423 1.00 2.02 O ATOM 982 CB ARG A 67 13.222 -38.481 4.193 1.00 72.33 C ATOM 983 CG ARG A 67 13.931 -37.328 4.884 1.00 61.22 C ATOM 984 CD ARG A 67 14.527 -37.758 6.215 1.00 33.33 C ATOM 985 NE ARG A 67 14.382 -36.726 7.238 1.00 23.24 N ATOM 986 CZ ARG A 67 15.016 -36.754 8.405 1.00 24.43 C ATOM 987 NH1 ARG A 67 15.834 -37.757 8.695 1.00 21.02 N ATOM 988 NH2 ARG A 67 14.833 -35.778 9.285 1.00 63.00 N ATOM 0 H ARG A 67 11.523 -39.985 3.162 1.00 32.11 H new ATOM 0 HA ARG A 67 12.293 -39.435 5.881 1.00 61.23 H new ATOM 0 HB2 ARG A 67 13.921 -39.309 4.077 1.00 72.33 H new ATOM 0 HB3 ARG A 67 12.929 -38.168 3.191 1.00 72.33 H new ATOM 0 HG2 ARG A 67 14.720 -36.945 4.237 1.00 61.22 H new ATOM 0 HG3 ARG A 67 13.227 -36.511 5.046 1.00 61.22 H new ATOM 0 HD2 ARG A 67 14.040 -38.673 6.552 1.00 33.33 H new ATOM 0 HD3 ARG A 67 15.584 -37.990 6.081 1.00 33.33 H new ATOM 0 HE ARG A 67 13.760 -35.941 7.046 1.00 23.24 H new ATOM 0 HH11 ARG A 67 15.977 -38.509 8.021 1.00 21.02 H new ATOM 0 HH12 ARG A 67 16.320 -37.776 9.592 1.00 21.02 H new ATOM 0 HH21 ARG A 67 14.205 -35.005 9.066 1.00 63.00 H new ATOM 0 HH22 ARG A 67 15.320 -35.801 10.181 1.00 63.00 H new ATOM 1002 N LEU A 68 11.188 -37.267 6.468 1.00 64.01 N ATOM 1003 CA LEU A 68 10.368 -36.139 6.895 1.00 1.13 C ATOM 1004 C LEU A 68 11.235 -35.018 7.459 1.00 42.20 C ATOM 1005 O LEU A 68 11.923 -35.196 8.464 1.00 31.24 O ATOM 1006 CB LEU A 68 9.352 -36.591 7.946 1.00 43.20 C ATOM 1007 CG LEU A 68 8.511 -35.485 8.586 1.00 64.34 C ATOM 1008 CD1 LEU A 68 9.251 -34.864 9.760 1.00 21.02 C ATOM 1009 CD2 LEU A 68 8.154 -34.423 7.556 1.00 63.42 C ATOM 0 H LEU A 68 11.849 -37.597 7.171 1.00 64.01 H new ATOM 0 HA LEU A 68 9.836 -35.758 6.023 1.00 1.13 H new ATOM 0 HB2 LEU A 68 8.677 -37.312 7.484 1.00 43.20 H new ATOM 0 HB3 LEU A 68 9.887 -37.117 8.737 1.00 43.20 H new ATOM 0 HG LEU A 68 7.587 -35.927 8.958 1.00 64.34 H new ATOM 0 HD11 LEU A 68 8.638 -34.079 10.203 1.00 21.02 H new ATOM 0 HD12 LEU A 68 9.455 -35.630 10.508 1.00 21.02 H new ATOM 0 HD13 LEU A 68 10.191 -34.437 9.412 1.00 21.02 H new ATOM 0 HD21 LEU A 68 7.556 -33.644 8.029 1.00 63.42 H new ATOM 0 HD22 LEU A 68 9.067 -33.985 7.154 1.00 63.42 H new ATOM 0 HD23 LEU A 68 7.583 -34.878 6.747 1.00 63.42 H new ATOM 1021 N VAL A 69 11.196 -33.861 6.806 1.00 41.24 N ATOM 1022 CA VAL A 69 11.976 -32.709 7.243 1.00 14.12 C ATOM 1023 C VAL A 69 11.147 -31.430 7.184 1.00 63.40 C ATOM 1024 O VAL A 69 10.590 -31.089 6.142 1.00 52.34 O ATOM 1025 CB VAL A 69 13.241 -32.528 6.384 1.00 71.22 C ATOM 1026 CG1 VAL A 69 12.890 -32.559 4.904 1.00 43.41 C ATOM 1027 CG2 VAL A 69 13.949 -31.232 6.746 1.00 45.33 C ATOM 0 H VAL A 69 10.632 -33.696 5.972 1.00 41.24 H new ATOM 0 HA VAL A 69 12.272 -32.900 8.275 1.00 14.12 H new ATOM 0 HB VAL A 69 13.920 -33.355 6.589 1.00 71.22 H new ATOM 0 HG11 VAL A 69 13.796 -32.430 4.312 1.00 43.41 H new ATOM 0 HG12 VAL A 69 12.430 -33.517 4.659 1.00 43.41 H new ATOM 0 HG13 VAL A 69 12.192 -31.753 4.679 1.00 43.41 H new ATOM 0 HG21 VAL A 69 14.841 -31.120 6.129 1.00 45.33 H new ATOM 0 HG22 VAL A 69 13.279 -30.390 6.571 1.00 45.33 H new ATOM 0 HG23 VAL A 69 14.235 -31.255 7.797 1.00 45.33 H new ATOM 1037 N GLU A 70 11.072 -30.728 8.310 1.00 41.30 N ATOM 1038 CA GLU A 70 10.311 -29.486 8.385 1.00 21.24 C ATOM 1039 C GLU A 70 8.864 -29.708 7.956 1.00 72.23 C ATOM 1040 O GLU A 70 8.202 -28.793 7.467 1.00 24.12 O ATOM 1041 CB GLU A 70 10.956 -28.412 7.507 1.00 24.30 C ATOM 1042 CG GLU A 70 12.443 -28.230 7.762 1.00 62.35 C ATOM 1043 CD GLU A 70 12.787 -26.833 8.239 1.00 14.33 C ATOM 1044 OE1 GLU A 70 13.300 -26.703 9.370 1.00 2.53 O ATOM 1045 OE2 GLU A 70 12.542 -25.870 7.483 1.00 13.32 O ATOM 0 H GLU A 70 11.528 -30.997 9.182 1.00 41.30 H new ATOM 0 HA GLU A 70 10.317 -29.149 9.421 1.00 21.24 H new ATOM 0 HB2 GLU A 70 10.805 -28.672 6.459 1.00 24.30 H new ATOM 0 HB3 GLU A 70 10.448 -27.463 7.676 1.00 24.30 H new ATOM 0 HG2 GLU A 70 12.771 -28.955 8.507 1.00 62.35 H new ATOM 0 HG3 GLU A 70 12.994 -28.443 6.846 1.00 62.35 H new ATOM 1052 N GLY A 71 8.378 -30.932 8.141 1.00 25.23 N ATOM 1053 CA GLY A 71 7.014 -31.254 7.767 1.00 14.44 C ATOM 1054 C GLY A 71 6.905 -31.745 6.338 1.00 74.14 C ATOM 1055 O GLY A 71 5.990 -32.498 6.001 1.00 1.12 O ATOM 0 H GLY A 71 8.906 -31.707 8.544 1.00 25.23 H new ATOM 0 HA2 GLY A 71 6.627 -32.018 8.441 1.00 14.44 H new ATOM 0 HA3 GLY A 71 6.388 -30.371 7.893 1.00 14.44 H new ATOM 1059 N ILE A 72 7.838 -31.318 5.494 1.00 0.21 N ATOM 1060 CA ILE A 72 7.842 -31.719 4.093 1.00 60.12 C ATOM 1061 C ILE A 72 8.437 -33.113 3.922 1.00 42.43 C ATOM 1062 O ILE A 72 9.623 -33.328 4.174 1.00 24.41 O ATOM 1063 CB ILE A 72 8.635 -30.724 3.225 1.00 71.44 C ATOM 1064 CG1 ILE A 72 8.008 -29.331 3.306 1.00 43.22 C ATOM 1065 CG2 ILE A 72 8.686 -31.205 1.782 1.00 45.41 C ATOM 1066 CD1 ILE A 72 8.930 -28.287 3.897 1.00 64.34 C ATOM 0 H ILE A 72 8.601 -30.694 5.756 1.00 0.21 H new ATOM 0 HA ILE A 72 6.803 -31.727 3.764 1.00 60.12 H new ATOM 0 HB ILE A 72 9.655 -30.665 3.605 1.00 71.44 H new ATOM 0 HG12 ILE A 72 7.710 -29.017 2.306 1.00 43.22 H new ATOM 0 HG13 ILE A 72 7.100 -29.384 3.907 1.00 43.22 H new ATOM 0 HG21 ILE A 72 9.250 -30.492 1.180 1.00 45.41 H new ATOM 0 HG22 ILE A 72 9.173 -32.179 1.740 1.00 45.41 H new ATOM 0 HG23 ILE A 72 7.672 -31.289 1.390 1.00 45.41 H new ATOM 0 HD11 ILE A 72 8.420 -27.324 3.924 1.00 64.34 H new ATOM 0 HD12 ILE A 72 9.208 -28.579 4.910 1.00 64.34 H new ATOM 0 HD13 ILE A 72 9.827 -28.205 3.284 1.00 64.34 H new ATOM 1078 N LEU A 73 7.607 -34.055 3.490 1.00 60.43 N ATOM 1079 CA LEU A 73 8.051 -35.429 3.282 1.00 21.43 C ATOM 1080 C LEU A 73 8.938 -35.534 2.046 1.00 24.10 C ATOM 1081 O LEU A 73 8.496 -35.272 0.927 1.00 33.21 O ATOM 1082 CB LEU A 73 6.845 -36.360 3.139 1.00 44.21 C ATOM 1083 CG LEU A 73 6.103 -36.700 4.432 1.00 60.54 C ATOM 1084 CD1 LEU A 73 7.053 -37.320 5.445 1.00 74.41 C ATOM 1085 CD2 LEU A 73 5.440 -35.458 5.009 1.00 24.43 C ATOM 0 H LEU A 73 6.623 -33.893 3.277 1.00 60.43 H new ATOM 0 HA LEU A 73 8.634 -35.731 4.152 1.00 21.43 H new ATOM 0 HB2 LEU A 73 6.138 -35.902 2.447 1.00 44.21 H new ATOM 0 HB3 LEU A 73 7.182 -37.290 2.681 1.00 44.21 H new ATOM 0 HG LEU A 73 5.325 -37.428 4.202 1.00 60.54 H new ATOM 0 HD11 LEU A 73 6.507 -37.555 6.359 1.00 74.41 H new ATOM 0 HD12 LEU A 73 7.480 -38.234 5.032 1.00 74.41 H new ATOM 0 HD13 LEU A 73 7.854 -36.616 5.672 1.00 74.41 H new ATOM 0 HD21 LEU A 73 4.917 -35.719 5.929 1.00 24.43 H new ATOM 0 HD22 LEU A 73 6.200 -34.707 5.224 1.00 24.43 H new ATOM 0 HD23 LEU A 73 4.728 -35.057 4.288 1.00 24.43 H new ATOM 1097 N HIS A 74 10.193 -35.921 2.255 1.00 11.23 N ATOM 1098 CA HIS A 74 11.142 -36.063 1.157 1.00 23.21 C ATOM 1099 C HIS A 74 11.036 -37.447 0.523 1.00 23.04 C ATOM 1100 O HIS A 74 10.684 -38.420 1.190 1.00 65.04 O ATOM 1101 CB HIS A 74 12.568 -35.825 1.654 1.00 45.11 C ATOM 1102 CG HIS A 74 13.331 -34.831 0.832 1.00 33.33 C ATOM 1103 ND1 HIS A 74 13.591 -35.007 -0.510 1.00 41.24 N ATOM 1104 CD2 HIS A 74 13.888 -33.645 1.170 1.00 23.12 C ATOM 1105 CE1 HIS A 74 14.277 -33.972 -0.962 1.00 65.54 C ATOM 1106 NE2 HIS A 74 14.471 -33.131 0.038 1.00 74.54 N ATOM 0 H HIS A 74 10.576 -36.142 3.174 1.00 11.23 H new ATOM 0 HA HIS A 74 10.899 -35.317 0.401 1.00 23.21 H new ATOM 0 HB2 HIS A 74 12.531 -35.478 2.687 1.00 45.11 H new ATOM 0 HB3 HIS A 74 13.106 -36.773 1.655 1.00 45.11 H new ATOM 0 HD2 HIS A 74 13.876 -33.188 2.148 1.00 23.12 H new ATOM 0 HE1 HIS A 74 14.621 -33.837 -1.977 1.00 65.54 H new ATOM 0 HE2 HIS A 74 14.972 -32.245 -0.021 1.00 74.54 H new ATOM 1114 N ALA A 75 11.342 -37.526 -0.767 1.00 62.45 N ATOM 1115 CA ALA A 75 11.283 -38.791 -1.490 1.00 55.34 C ATOM 1116 C ALA A 75 12.657 -39.447 -1.563 1.00 30.22 C ATOM 1117 O ALA A 75 13.692 -38.784 -1.504 1.00 4.42 O ATOM 1118 CB ALA A 75 10.725 -38.573 -2.889 1.00 61.03 C ATOM 0 H ALA A 75 11.633 -36.729 -1.334 1.00 62.45 H new ATOM 0 HA ALA A 75 10.618 -39.462 -0.945 1.00 55.34 H new ATOM 0 HB1 ALA A 75 10.686 -39.525 -3.418 1.00 61.03 H new ATOM 0 HB2 ALA A 75 9.720 -38.156 -2.819 1.00 61.03 H new ATOM 0 HB3 ALA A 75 11.368 -37.881 -3.434 1.00 61.03 H new ATOM 1124 N PRO A 76 12.670 -40.782 -1.693 1.00 70.10 N ATOM 1125 CA PRO A 76 13.911 -41.557 -1.776 1.00 64.30 C ATOM 1126 C PRO A 76 14.654 -41.324 -3.087 1.00 71.13 C ATOM 1127 O PRO A 76 14.262 -40.478 -3.891 1.00 44.13 O ATOM 1128 CB PRO A 76 13.431 -43.008 -1.684 1.00 54.34 C ATOM 1129 CG PRO A 76 12.027 -42.974 -2.182 1.00 12.41 C ATOM 1130 CD PRO A 76 11.474 -41.637 -1.770 1.00 32.42 C ATOM 0 HA PRO A 76 14.618 -41.277 -0.995 1.00 64.30 H new ATOM 0 HB2 PRO A 76 14.050 -43.669 -2.290 1.00 54.34 H new ATOM 0 HB3 PRO A 76 13.479 -43.377 -0.659 1.00 54.34 H new ATOM 0 HG2 PRO A 76 11.994 -43.093 -3.265 1.00 12.41 H new ATOM 0 HG3 PRO A 76 11.441 -43.787 -1.754 1.00 12.41 H new ATOM 0 HD2 PRO A 76 10.755 -41.258 -2.497 1.00 32.42 H new ATOM 0 HD3 PRO A 76 10.958 -41.694 -0.811 1.00 32.42 H new ATOM 1138 N ASP A 77 15.726 -42.079 -3.297 1.00 23.52 N ATOM 1139 CA ASP A 77 16.523 -41.956 -4.512 1.00 50.10 C ATOM 1140 C ASP A 77 15.848 -42.669 -5.679 1.00 55.35 C ATOM 1141 O ASP A 77 16.338 -42.635 -6.808 1.00 12.33 O ATOM 1142 CB ASP A 77 17.923 -42.529 -4.290 1.00 24.22 C ATOM 1143 CG ASP A 77 18.975 -41.447 -4.143 1.00 23.31 C ATOM 1144 OD1 ASP A 77 20.133 -41.686 -4.548 1.00 13.33 O ATOM 1145 OD2 ASP A 77 18.641 -40.362 -3.624 1.00 50.12 O ATOM 0 H ASP A 77 16.064 -42.783 -2.641 1.00 23.52 H new ATOM 0 HA ASP A 77 16.607 -40.897 -4.756 1.00 50.10 H new ATOM 0 HB2 ASP A 77 17.920 -43.152 -3.396 1.00 24.22 H new ATOM 0 HB3 ASP A 77 18.185 -43.175 -5.128 1.00 24.22 H new ATOM 1150 N ALA A 78 14.720 -43.314 -5.400 1.00 21.35 N ATOM 1151 CA ALA A 78 13.977 -44.034 -6.426 1.00 61.42 C ATOM 1152 C ALA A 78 12.663 -43.331 -6.748 1.00 42.53 C ATOM 1153 O ALA A 78 12.115 -43.487 -7.838 1.00 72.24 O ATOM 1154 CB ALA A 78 13.716 -45.466 -5.982 1.00 61.25 C ATOM 0 H ALA A 78 14.301 -43.352 -4.471 1.00 21.35 H new ATOM 0 HA ALA A 78 14.582 -44.050 -7.333 1.00 61.42 H new ATOM 0 HB1 ALA A 78 13.160 -45.992 -6.758 1.00 61.25 H new ATOM 0 HB2 ALA A 78 14.666 -45.972 -5.809 1.00 61.25 H new ATOM 0 HB3 ALA A 78 13.135 -45.461 -5.060 1.00 61.25 H new ATOM 1160 N GLY A 79 12.163 -42.555 -5.792 1.00 14.54 N ATOM 1161 CA GLY A 79 10.916 -41.839 -5.993 1.00 62.02 C ATOM 1162 C GLY A 79 9.806 -42.343 -5.092 1.00 61.25 C ATOM 1163 O GLY A 79 10.002 -43.283 -4.322 1.00 73.22 O ATOM 0 H GLY A 79 12.599 -42.409 -4.881 1.00 14.54 H new ATOM 0 HA2 GLY A 79 11.076 -40.777 -5.807 1.00 62.02 H new ATOM 0 HA3 GLY A 79 10.608 -41.938 -7.034 1.00 62.02 H new ATOM 1167 N TRP A 80 8.639 -41.717 -5.188 1.00 2.55 N ATOM 1168 CA TRP A 80 7.494 -42.107 -4.373 1.00 11.51 C ATOM 1169 C TRP A 80 7.017 -43.508 -4.739 1.00 5.21 C ATOM 1170 O TRP A 80 6.987 -44.403 -3.896 1.00 24.40 O ATOM 1171 CB TRP A 80 6.352 -41.104 -4.549 1.00 30.14 C ATOM 1172 CG TRP A 80 6.641 -39.763 -3.945 1.00 34.13 C ATOM 1173 CD1 TRP A 80 6.716 -38.568 -4.601 1.00 50.20 C ATOM 1174 CD2 TRP A 80 6.894 -39.482 -2.564 1.00 42.30 C ATOM 1175 NE1 TRP A 80 7.001 -37.560 -3.711 1.00 62.24 N ATOM 1176 CE2 TRP A 80 7.114 -38.095 -2.455 1.00 44.42 C ATOM 1177 CE3 TRP A 80 6.955 -40.266 -1.409 1.00 14.21 C ATOM 1178 CZ2 TRP A 80 7.391 -37.478 -1.238 1.00 23.52 C ATOM 1179 CZ3 TRP A 80 7.230 -39.653 -0.201 1.00 52.24 C ATOM 1180 CH2 TRP A 80 7.445 -38.270 -0.123 1.00 34.30 C ATOM 0 H TRP A 80 8.460 -40.938 -5.821 1.00 2.55 H new ATOM 0 HA TRP A 80 7.807 -42.112 -3.329 1.00 11.51 H new ATOM 0 HB2 TRP A 80 6.148 -40.979 -5.612 1.00 30.14 H new ATOM 0 HB3 TRP A 80 5.448 -41.511 -4.097 1.00 30.14 H new ATOM 0 HD1 TRP A 80 6.573 -38.434 -5.663 1.00 50.20 H new ATOM 0 HE1 TRP A 80 7.111 -36.574 -3.947 1.00 62.24 H new ATOM 0 HE3 TRP A 80 6.790 -41.332 -1.459 1.00 14.21 H new ATOM 0 HZ2 TRP A 80 7.557 -36.413 -1.176 1.00 23.52 H new ATOM 0 HZ3 TRP A 80 7.280 -40.250 0.698 1.00 52.24 H new ATOM 0 HH2 TRP A 80 7.657 -37.821 0.836 1.00 34.30 H new ATOM 1191 N GLY A 81 6.646 -43.691 -6.002 1.00 53.04 N ATOM 1192 CA GLY A 81 6.176 -44.987 -6.457 1.00 13.40 C ATOM 1193 C GLY A 81 4.699 -45.196 -6.185 1.00 23.02 C ATOM 1194 O GLY A 81 3.974 -44.245 -5.897 1.00 75.34 O ATOM 0 H GLY A 81 6.662 -42.965 -6.719 1.00 53.04 H new ATOM 0 HA2 GLY A 81 6.362 -45.083 -7.527 1.00 13.40 H new ATOM 0 HA3 GLY A 81 6.748 -45.772 -5.962 1.00 13.40 H new ATOM 1198 N ASN A 82 4.253 -46.445 -6.277 1.00 45.31 N ATOM 1199 CA ASN A 82 2.853 -46.776 -6.041 1.00 11.42 C ATOM 1200 C ASN A 82 2.725 -47.900 -5.017 1.00 52.24 C ATOM 1201 O ASN A 82 1.820 -48.731 -5.102 1.00 61.53 O ATOM 1202 CB ASN A 82 2.176 -47.184 -7.351 1.00 14.53 C ATOM 1203 CG ASN A 82 2.727 -46.430 -8.546 1.00 30.23 C ATOM 1204 OD1 ASN A 82 3.512 -46.970 -9.326 1.00 12.13 O ATOM 1205 ND2 ASN A 82 2.318 -45.176 -8.694 1.00 54.43 N ATOM 0 H ASN A 82 4.841 -47.244 -6.513 1.00 45.31 H new ATOM 0 HA ASN A 82 2.357 -45.890 -5.645 1.00 11.42 H new ATOM 0 HB2 ASN A 82 2.309 -48.254 -7.507 1.00 14.53 H new ATOM 0 HB3 ASN A 82 1.104 -47.004 -7.274 1.00 14.53 H new ATOM 0 HD21 ASN A 82 2.655 -44.619 -9.479 1.00 54.43 H new ATOM 0 HD22 ASN A 82 1.666 -44.770 -8.023 1.00 54.43 H new ATOM 1212 N LEU A 83 3.635 -47.919 -4.050 1.00 44.44 N ATOM 1213 CA LEU A 83 3.625 -48.940 -3.009 1.00 74.10 C ATOM 1214 C LEU A 83 2.778 -48.497 -1.820 1.00 42.20 C ATOM 1215 O LEU A 83 2.151 -47.438 -1.851 1.00 50.04 O ATOM 1216 CB LEU A 83 5.052 -49.243 -2.549 1.00 52.41 C ATOM 1217 CG LEU A 83 5.955 -48.030 -2.322 1.00 0.10 C ATOM 1218 CD1 LEU A 83 6.548 -47.552 -3.638 1.00 63.13 C ATOM 1219 CD2 LEU A 83 5.181 -46.908 -1.645 1.00 43.11 C ATOM 0 H LEU A 83 4.390 -47.238 -3.965 1.00 44.44 H new ATOM 0 HA LEU A 83 3.186 -49.846 -3.427 1.00 74.10 H new ATOM 0 HB2 LEU A 83 5.000 -49.811 -1.620 1.00 52.41 H new ATOM 0 HB3 LEU A 83 5.523 -49.888 -3.291 1.00 52.41 H new ATOM 0 HG LEU A 83 6.773 -48.328 -1.666 1.00 0.10 H new ATOM 0 HD11 LEU A 83 7.188 -46.688 -3.456 1.00 63.13 H new ATOM 0 HD12 LEU A 83 7.138 -48.353 -4.084 1.00 63.13 H new ATOM 0 HD13 LEU A 83 5.744 -47.272 -4.319 1.00 63.13 H new ATOM 0 HD21 LEU A 83 5.839 -46.053 -1.491 1.00 43.11 H new ATOM 0 HD22 LEU A 83 4.343 -46.612 -2.276 1.00 43.11 H new ATOM 0 HD23 LEU A 83 4.806 -47.254 -0.682 1.00 43.11 H new ATOM 1231 N VAL A 84 2.767 -49.313 -0.771 1.00 72.31 N ATOM 1232 CA VAL A 84 2.000 -49.004 0.430 1.00 24.11 C ATOM 1233 C VAL A 84 2.867 -48.302 1.469 1.00 1.13 C ATOM 1234 O VAL A 84 4.094 -48.393 1.434 1.00 64.44 O ATOM 1235 CB VAL A 84 1.398 -50.277 1.055 1.00 44.31 C ATOM 1236 CG1 VAL A 84 0.335 -49.916 2.081 1.00 23.34 C ATOM 1237 CG2 VAL A 84 0.823 -51.180 -0.026 1.00 3.41 C ATOM 0 H VAL A 84 3.281 -50.193 -0.728 1.00 72.31 H new ATOM 0 HA VAL A 84 1.191 -48.340 0.127 1.00 24.11 H new ATOM 0 HB VAL A 84 2.192 -50.821 1.566 1.00 44.31 H new ATOM 0 HG11 VAL A 84 -0.079 -50.828 2.512 1.00 23.34 H new ATOM 0 HG12 VAL A 84 0.782 -49.312 2.871 1.00 23.34 H new ATOM 0 HG13 VAL A 84 -0.461 -49.350 1.597 1.00 23.34 H new ATOM 0 HG21 VAL A 84 0.402 -52.074 0.433 1.00 3.41 H new ATOM 0 HG22 VAL A 84 0.041 -50.647 -0.567 1.00 3.41 H new ATOM 0 HG23 VAL A 84 1.614 -51.466 -0.720 1.00 3.41 H new ATOM 1247 N TYR A 85 2.221 -47.602 2.395 1.00 52.54 N ATOM 1248 CA TYR A 85 2.933 -46.882 3.444 1.00 55.41 C ATOM 1249 C TYR A 85 2.278 -47.112 4.803 1.00 43.02 C ATOM 1250 O TYR A 85 1.063 -47.285 4.899 1.00 42.22 O ATOM 1251 CB TYR A 85 2.969 -45.385 3.130 1.00 12.11 C ATOM 1252 CG TYR A 85 1.924 -44.585 3.875 1.00 41.42 C ATOM 1253 CD1 TYR A 85 0.725 -44.235 3.267 1.00 74.45 C ATOM 1254 CD2 TYR A 85 2.137 -44.177 5.186 1.00 52.23 C ATOM 1255 CE1 TYR A 85 -0.233 -43.504 3.943 1.00 44.24 C ATOM 1256 CE2 TYR A 85 1.185 -43.446 5.870 1.00 72.21 C ATOM 1257 CZ TYR A 85 0.002 -43.112 5.244 1.00 11.01 C ATOM 1258 OH TYR A 85 -0.948 -42.383 5.922 1.00 74.13 O ATOM 0 H TYR A 85 1.205 -47.518 2.440 1.00 52.54 H new ATOM 0 HA TYR A 85 3.953 -47.263 3.483 1.00 55.41 H new ATOM 0 HB2 TYR A 85 3.957 -44.994 3.375 1.00 12.11 H new ATOM 0 HB3 TYR A 85 2.827 -45.243 2.059 1.00 12.11 H new ATOM 0 HD1 TYR A 85 0.538 -44.540 2.248 1.00 74.45 H new ATOM 0 HD2 TYR A 85 3.063 -44.436 5.679 1.00 52.23 H new ATOM 0 HE1 TYR A 85 -1.160 -43.241 3.455 1.00 44.24 H new ATOM 0 HE2 TYR A 85 1.366 -43.138 6.889 1.00 72.21 H new ATOM 0 HH TYR A 85 -1.621 -42.054 5.290 1.00 74.13 H new ATOM 1268 N VAL A 86 3.094 -47.112 5.852 1.00 31.45 N ATOM 1269 CA VAL A 86 2.596 -47.320 7.207 1.00 2.52 C ATOM 1270 C VAL A 86 2.637 -46.025 8.011 1.00 30.05 C ATOM 1271 O VAL A 86 3.663 -45.347 8.066 1.00 24.53 O ATOM 1272 CB VAL A 86 3.413 -48.396 7.946 1.00 35.35 C ATOM 1273 CG1 VAL A 86 2.839 -48.642 9.334 1.00 63.42 C ATOM 1274 CG2 VAL A 86 3.448 -49.685 7.139 1.00 23.01 C ATOM 0 H VAL A 86 4.102 -46.970 5.790 1.00 31.45 H new ATOM 0 HA VAL A 86 1.563 -47.657 7.117 1.00 2.52 H new ATOM 0 HB VAL A 86 4.436 -48.037 8.060 1.00 35.35 H new ATOM 0 HG11 VAL A 86 3.429 -49.405 9.842 1.00 63.42 H new ATOM 0 HG12 VAL A 86 2.870 -47.717 9.910 1.00 63.42 H new ATOM 0 HG13 VAL A 86 1.807 -48.980 9.246 1.00 63.42 H new ATOM 0 HG21 VAL A 86 4.029 -50.435 7.676 1.00 23.01 H new ATOM 0 HG22 VAL A 86 2.432 -50.050 6.993 1.00 23.01 H new ATOM 0 HG23 VAL A 86 3.908 -49.495 6.169 1.00 23.01 H new ATOM 1284 N VAL A 87 1.513 -45.687 8.636 1.00 41.14 N ATOM 1285 CA VAL A 87 1.420 -44.474 9.439 1.00 1.12 C ATOM 1286 C VAL A 87 2.181 -44.625 10.752 1.00 53.31 C ATOM 1287 O VAL A 87 2.204 -45.701 11.347 1.00 13.14 O ATOM 1288 CB VAL A 87 -0.046 -44.115 9.746 1.00 20.14 C ATOM 1289 CG1 VAL A 87 -0.745 -43.607 8.495 1.00 41.42 C ATOM 1290 CG2 VAL A 87 -0.778 -45.317 10.325 1.00 50.40 C ATOM 0 H VAL A 87 0.654 -46.237 8.601 1.00 41.14 H new ATOM 0 HA VAL A 87 1.867 -43.671 8.853 1.00 1.12 H new ATOM 0 HB VAL A 87 -0.059 -43.317 10.489 1.00 20.14 H new ATOM 0 HG11 VAL A 87 -1.780 -43.359 8.732 1.00 41.42 H new ATOM 0 HG12 VAL A 87 -0.233 -42.717 8.128 1.00 41.42 H new ATOM 0 HG13 VAL A 87 -0.724 -44.380 7.727 1.00 41.42 H new ATOM 0 HG21 VAL A 87 -1.812 -45.046 10.536 1.00 50.40 H new ATOM 0 HG22 VAL A 87 -0.757 -46.136 9.607 1.00 50.40 H new ATOM 0 HG23 VAL A 87 -0.290 -45.631 11.248 1.00 50.40 H new ATOM 1300 N ASN A 88 2.802 -43.538 11.198 1.00 41.44 N ATOM 1301 CA ASN A 88 3.564 -43.549 12.441 1.00 45.32 C ATOM 1302 C ASN A 88 3.481 -42.196 13.142 1.00 32.53 C ATOM 1303 O ASN A 88 3.404 -41.153 12.494 1.00 42.42 O ATOM 1304 CB ASN A 88 5.027 -43.902 12.163 1.00 30.33 C ATOM 1305 CG ASN A 88 5.176 -44.895 11.027 1.00 22.51 C ATOM 1306 OD1 ASN A 88 4.913 -46.087 11.191 1.00 42.02 O ATOM 1307 ND2 ASN A 88 5.600 -44.408 9.867 1.00 4.21 N ATOM 0 H ASN A 88 2.792 -42.639 10.717 1.00 41.44 H new ATOM 0 HA ASN A 88 3.132 -44.305 13.096 1.00 45.32 H new ATOM 0 HB2 ASN A 88 5.578 -42.993 11.922 1.00 30.33 H new ATOM 0 HB3 ASN A 88 5.476 -44.317 13.066 1.00 30.33 H new ATOM 0 HD21 ASN A 88 5.720 -45.029 9.066 1.00 4.21 H new ATOM 0 HD22 ASN A 88 5.806 -43.413 9.776 1.00 4.21 H new ATOM 1314 N TYR A 89 3.497 -42.223 14.470 1.00 34.32 N ATOM 1315 CA TYR A 89 3.421 -41.000 15.260 1.00 32.24 C ATOM 1316 C TYR A 89 3.527 -41.307 16.751 1.00 32.20 C ATOM 1317 O TYR A 89 3.315 -42.436 17.195 1.00 15.45 O ATOM 1318 CB TYR A 89 2.112 -40.262 14.972 1.00 23.21 C ATOM 1319 CG TYR A 89 0.962 -41.181 14.628 1.00 60.12 C ATOM 1320 CD1 TYR A 89 0.170 -40.946 13.510 1.00 23.33 C ATOM 1321 CD2 TYR A 89 0.666 -42.283 15.420 1.00 21.32 C ATOM 1322 CE1 TYR A 89 -0.882 -41.783 13.192 1.00 12.30 C ATOM 1323 CE2 TYR A 89 -0.383 -43.126 15.109 1.00 54.22 C ATOM 1324 CZ TYR A 89 -1.155 -42.871 13.994 1.00 23.20 C ATOM 1325 OH TYR A 89 -2.202 -43.707 13.681 1.00 30.33 O ATOM 0 H TYR A 89 3.562 -43.078 15.022 1.00 34.32 H new ATOM 0 HA TYR A 89 4.259 -40.363 14.978 1.00 32.24 H new ATOM 0 HB2 TYR A 89 1.841 -39.666 15.843 1.00 23.21 H new ATOM 0 HB3 TYR A 89 2.270 -39.567 14.147 1.00 23.21 H new ATOM 0 HD1 TYR A 89 0.381 -40.095 12.879 1.00 23.33 H new ATOM 0 HD2 TYR A 89 1.267 -42.484 16.295 1.00 21.32 H new ATOM 0 HE1 TYR A 89 -1.488 -41.586 12.320 1.00 12.30 H new ATOM 0 HE2 TYR A 89 -0.598 -43.980 15.735 1.00 54.22 H new ATOM 0 HH TYR A 89 -2.258 -44.425 14.346 1.00 30.33 H new ATOM 1335 N PRO A 90 3.863 -40.278 17.543 1.00 32.44 N ATOM 1336 CA PRO A 90 4.004 -40.412 18.996 1.00 11.54 C ATOM 1337 C PRO A 90 2.665 -40.636 19.691 1.00 71.14 C ATOM 1338 O PRO A 90 1.619 -40.691 19.043 1.00 63.41 O ATOM 1339 CB PRO A 90 4.607 -39.069 19.419 1.00 73.33 C ATOM 1340 CG PRO A 90 4.182 -38.113 18.358 1.00 11.14 C ATOM 1341 CD PRO A 90 4.130 -38.906 17.082 1.00 45.12 C ATOM 0 HA PRO A 90 4.613 -41.274 19.268 1.00 11.54 H new ATOM 0 HB2 PRO A 90 4.241 -38.762 20.399 1.00 73.33 H new ATOM 0 HB3 PRO A 90 5.693 -39.127 19.488 1.00 73.33 H new ATOM 0 HG2 PRO A 90 3.208 -37.681 18.589 1.00 11.14 H new ATOM 0 HG3 PRO A 90 4.886 -37.285 18.274 1.00 11.14 H new ATOM 0 HD2 PRO A 90 3.345 -38.546 16.417 1.00 45.12 H new ATOM 0 HD3 PRO A 90 5.068 -38.843 16.531 1.00 45.12 H new ATOM 1349 N LYS A 91 2.703 -40.765 21.013 1.00 44.54 N ATOM 1350 CA LYS A 91 1.493 -40.981 21.796 1.00 21.32 C ATOM 1351 C LYS A 91 1.634 -40.382 23.192 1.00 71.12 C ATOM 1352 O LYS A 91 1.745 -41.107 24.181 1.00 61.14 O ATOM 1353 CB LYS A 91 1.190 -42.478 21.900 1.00 15.34 C ATOM 1354 CG LYS A 91 -0.165 -42.782 22.517 1.00 23.03 C ATOM 1355 CD LYS A 91 -0.108 -44.011 23.409 1.00 62.45 C ATOM 1356 CE LYS A 91 -1.032 -45.109 22.903 1.00 24.25 C ATOM 1357 NZ LYS A 91 -1.308 -46.128 23.954 1.00 54.12 N ATOM 0 H LYS A 91 3.560 -40.724 21.565 1.00 44.54 H new ATOM 0 HA LYS A 91 0.667 -40.483 21.288 1.00 21.32 H new ATOM 0 HB2 LYS A 91 1.234 -42.919 20.904 1.00 15.34 H new ATOM 0 HB3 LYS A 91 1.967 -42.957 22.496 1.00 15.34 H new ATOM 0 HG2 LYS A 91 -0.502 -41.924 23.099 1.00 23.03 H new ATOM 0 HG3 LYS A 91 -0.899 -42.939 21.727 1.00 23.03 H new ATOM 0 HD2 LYS A 91 0.915 -44.385 23.450 1.00 62.45 H new ATOM 0 HD3 LYS A 91 -0.389 -43.737 24.426 1.00 62.45 H new ATOM 0 HE2 LYS A 91 -1.971 -44.668 22.569 1.00 24.25 H new ATOM 0 HE3 LYS A 91 -0.581 -45.593 22.037 1.00 24.25 H new ATOM 0 HZ1 LYS A 91 -1.941 -46.859 23.571 1.00 54.12 H new ATOM 0 HZ2 LYS A 91 -0.415 -46.567 24.255 1.00 54.12 H new ATOM 0 HZ3 LYS A 91 -1.762 -45.671 24.770 1.00 54.12 H new ATOM 1371 N ASP A 92 1.627 -39.056 23.264 1.00 11.35 N ATOM 1372 CA ASP A 92 1.751 -38.359 24.540 1.00 62.14 C ATOM 1373 C ASP A 92 1.388 -36.885 24.391 1.00 4.12 C ATOM 1374 O ASP A 92 2.061 -36.139 23.681 1.00 54.32 O ATOM 1375 CB ASP A 92 3.175 -38.495 25.082 1.00 13.44 C ATOM 1376 CG ASP A 92 3.294 -38.024 26.519 1.00 50.24 C ATOM 1377 OD1 ASP A 92 2.978 -38.816 27.431 1.00 13.12 O ATOM 1378 OD2 ASP A 92 3.704 -36.864 26.730 1.00 3.30 O ATOM 0 H ASP A 92 1.537 -38.442 22.455 1.00 11.35 H new ATOM 0 HA ASP A 92 1.057 -38.816 25.245 1.00 62.14 H new ATOM 0 HB2 ASP A 92 3.488 -39.537 25.017 1.00 13.44 H new ATOM 0 HB3 ASP A 92 3.856 -37.918 24.456 1.00 13.44 H new ATOM 1383 N ASN A 93 0.320 -36.473 25.066 1.00 40.21 N ATOM 1384 CA ASN A 93 -0.133 -35.088 25.008 1.00 54.13 C ATOM 1385 C ASN A 93 -0.699 -34.758 23.629 1.00 25.04 C ATOM 1386 O ASN A 93 -1.913 -34.667 23.449 1.00 31.43 O ATOM 1387 CB ASN A 93 1.019 -34.138 25.340 1.00 50.35 C ATOM 1388 CG ASN A 93 0.782 -33.368 26.624 1.00 14.42 C ATOM 1389 OD1 ASN A 93 1.544 -33.488 27.583 1.00 23.01 O ATOM 1390 ND2 ASN A 93 -0.280 -32.571 26.649 1.00 55.24 N ATOM 0 H ASN A 93 -0.248 -37.078 25.659 1.00 40.21 H new ATOM 0 HA ASN A 93 -0.925 -34.960 25.746 1.00 54.13 H new ATOM 0 HB2 ASN A 93 1.943 -34.709 25.427 1.00 50.35 H new ATOM 0 HB3 ASN A 93 1.155 -33.435 24.518 1.00 50.35 H new ATOM 0 HD21 ASN A 93 -0.491 -32.028 27.486 1.00 55.24 H new ATOM 0 HD22 ASN A 93 -0.885 -32.502 25.831 1.00 55.24 H new ATOM 1397 N LYS A 94 0.191 -34.580 22.659 1.00 50.24 N ATOM 1398 CA LYS A 94 -0.217 -34.262 21.295 1.00 10.13 C ATOM 1399 C LYS A 94 -0.998 -32.952 21.252 1.00 21.35 C ATOM 1400 O LYS A 94 -1.206 -32.309 22.281 1.00 2.12 O ATOM 1401 CB LYS A 94 -1.069 -35.395 20.719 1.00 62.04 C ATOM 1402 CG LYS A 94 -0.371 -36.183 19.624 1.00 75.44 C ATOM 1403 CD LYS A 94 -0.652 -35.598 18.250 1.00 51.22 C ATOM 1404 CE LYS A 94 0.546 -34.826 17.718 1.00 55.23 C ATOM 1405 NZ LYS A 94 0.133 -33.717 16.813 1.00 3.13 N ATOM 0 H LYS A 94 1.200 -34.650 22.792 1.00 50.24 H new ATOM 0 HA LYS A 94 0.683 -34.148 20.690 1.00 10.13 H new ATOM 0 HB2 LYS A 94 -1.347 -36.075 21.524 1.00 62.04 H new ATOM 0 HB3 LYS A 94 -1.994 -34.977 20.321 1.00 62.04 H new ATOM 0 HG2 LYS A 94 0.704 -36.187 19.806 1.00 75.44 H new ATOM 0 HG3 LYS A 94 -0.703 -37.221 19.653 1.00 75.44 H new ATOM 0 HD2 LYS A 94 -0.907 -36.400 17.557 1.00 51.22 H new ATOM 0 HD3 LYS A 94 -1.517 -34.937 18.305 1.00 51.22 H new ATOM 0 HE2 LYS A 94 1.117 -34.420 18.553 1.00 55.23 H new ATOM 0 HE3 LYS A 94 1.207 -35.506 17.181 1.00 55.23 H new ATOM 0 HZ1 LYS A 94 0.977 -33.215 16.471 1.00 3.13 H new ATOM 0 HZ2 LYS A 94 -0.390 -34.107 16.003 1.00 3.13 H new ATOM 0 HZ3 LYS A 94 -0.477 -33.054 17.332 1.00 3.13 H new ATOM 1419 N ARG A 95 -1.429 -32.565 20.057 1.00 41.54 N ATOM 1420 CA ARG A 95 -2.187 -31.332 19.881 1.00 51.24 C ATOM 1421 C ARG A 95 -1.449 -30.147 20.497 1.00 14.02 C ATOM 1422 O ARG A 95 -1.739 -29.738 21.622 1.00 61.20 O ATOM 1423 CB ARG A 95 -3.574 -31.467 20.511 1.00 13.23 C ATOM 1424 CG ARG A 95 -4.275 -32.772 20.169 1.00 44.40 C ATOM 1425 CD ARG A 95 -5.785 -32.643 20.296 1.00 64.34 C ATOM 1426 NE ARG A 95 -6.444 -32.635 18.993 1.00 73.23 N ATOM 1427 CZ ARG A 95 -6.650 -33.728 18.266 1.00 31.23 C ATOM 1428 NH1 ARG A 95 -6.250 -34.910 18.713 1.00 30.45 N ATOM 1429 NH2 ARG A 95 -7.258 -33.640 17.090 1.00 42.20 N ATOM 0 H ARG A 95 -1.267 -33.087 19.196 1.00 41.54 H new ATOM 0 HA ARG A 95 -2.297 -31.152 18.812 1.00 51.24 H new ATOM 0 HB2 ARG A 95 -3.481 -31.388 21.594 1.00 13.23 H new ATOM 0 HB3 ARG A 95 -4.195 -30.634 20.183 1.00 13.23 H new ATOM 0 HG2 ARG A 95 -4.018 -33.069 19.152 1.00 44.40 H new ATOM 0 HG3 ARG A 95 -3.919 -33.562 20.831 1.00 44.40 H new ATOM 0 HD2 ARG A 95 -6.171 -33.470 20.892 1.00 64.34 H new ATOM 0 HD3 ARG A 95 -6.027 -31.724 20.830 1.00 64.34 H new ATOM 0 HE ARG A 95 -6.764 -31.741 18.620 1.00 73.23 H new ATOM 0 HH11 ARG A 95 -5.783 -34.982 19.617 1.00 30.45 H new ATOM 0 HH12 ARG A 95 -6.409 -35.748 18.153 1.00 30.45 H new ATOM 0 HH21 ARG A 95 -7.568 -32.732 16.743 1.00 42.20 H new ATOM 0 HH22 ARG A 95 -7.415 -34.480 16.533 1.00 42.20 H new ATOM 1443 N LYS A 96 -0.494 -29.599 19.753 1.00 31.55 N ATOM 1444 CA LYS A 96 0.286 -28.461 20.225 1.00 34.21 C ATOM 1445 C LYS A 96 0.627 -27.521 19.074 1.00 62.14 C ATOM 1446 O LYS A 96 0.747 -27.949 17.926 1.00 50.41 O ATOM 1447 CB LYS A 96 1.571 -28.943 20.903 1.00 54.33 C ATOM 1448 CG LYS A 96 2.168 -27.929 21.864 1.00 73.51 C ATOM 1449 CD LYS A 96 2.111 -28.422 23.300 1.00 33.41 C ATOM 1450 CE LYS A 96 2.142 -27.266 24.288 1.00 74.22 C ATOM 1451 NZ LYS A 96 0.788 -26.682 24.500 1.00 5.14 N ATOM 0 H LYS A 96 -0.242 -29.925 18.820 1.00 31.55 H new ATOM 0 HA LYS A 96 -0.317 -27.915 20.950 1.00 34.21 H new ATOM 0 HB2 LYS A 96 1.362 -29.866 21.445 1.00 54.33 H new ATOM 0 HB3 LYS A 96 2.308 -29.183 20.137 1.00 54.33 H new ATOM 0 HG2 LYS A 96 3.203 -27.730 21.587 1.00 73.51 H new ATOM 0 HG3 LYS A 96 1.629 -26.986 21.780 1.00 73.51 H new ATOM 0 HD2 LYS A 96 1.203 -29.006 23.450 1.00 33.41 H new ATOM 0 HD3 LYS A 96 2.953 -29.088 23.491 1.00 33.41 H new ATOM 0 HE2 LYS A 96 2.541 -27.613 25.241 1.00 74.22 H new ATOM 0 HE3 LYS A 96 2.818 -26.493 23.922 1.00 74.22 H new ATOM 0 HZ1 LYS A 96 0.851 -25.897 25.180 1.00 5.14 H new ATOM 0 HZ2 LYS A 96 0.417 -26.328 23.595 1.00 5.14 H new ATOM 0 HZ3 LYS A 96 0.149 -27.413 24.873 1.00 5.14 H new ATOM 1465 N MET A 97 0.784 -26.240 19.389 1.00 50.54 N ATOM 1466 CA MET A 97 1.115 -25.240 18.380 1.00 53.14 C ATOM 1467 C MET A 97 2.624 -25.036 18.290 1.00 13.15 C ATOM 1468 O MET A 97 3.237 -25.309 17.258 1.00 15.21 O ATOM 1469 CB MET A 97 0.427 -23.912 18.702 1.00 50.11 C ATOM 1470 CG MET A 97 -0.964 -23.786 18.102 1.00 61.33 C ATOM 1471 SD MET A 97 -1.946 -22.495 18.888 1.00 0.14 S ATOM 1472 CE MET A 97 -3.556 -22.809 18.169 1.00 12.34 C ATOM 0 H MET A 97 0.687 -25.870 20.334 1.00 50.54 H new ATOM 0 HA MET A 97 0.758 -25.602 17.416 1.00 53.14 H new ATOM 0 HB2 MET A 97 0.358 -23.801 19.784 1.00 50.11 H new ATOM 0 HB3 MET A 97 1.047 -23.093 18.336 1.00 50.11 H new ATOM 0 HG2 MET A 97 -0.878 -23.573 17.036 1.00 61.33 H new ATOM 0 HG3 MET A 97 -1.483 -24.740 18.196 1.00 61.33 H new ATOM 0 HE1 MET A 97 -4.275 -22.089 18.559 1.00 12.34 H new ATOM 0 HE2 MET A 97 -3.496 -22.712 17.085 1.00 12.34 H new ATOM 0 HE3 MET A 97 -3.878 -23.818 18.425 1.00 12.34 H new ATOM 1482 N ASP A 98 3.216 -24.555 19.378 1.00 43.23 N ATOM 1483 CA ASP A 98 4.654 -24.315 19.422 1.00 21.12 C ATOM 1484 C ASP A 98 5.060 -23.255 18.403 1.00 10.34 C ATOM 1485 O ASP A 98 5.903 -23.500 17.541 1.00 74.10 O ATOM 1486 CB ASP A 98 5.418 -25.614 19.157 1.00 14.41 C ATOM 1487 CG ASP A 98 6.879 -25.515 19.547 1.00 65.54 C ATOM 1488 OD1 ASP A 98 7.740 -25.885 18.720 1.00 2.22 O ATOM 1489 OD2 ASP A 98 7.163 -25.069 20.678 1.00 51.45 O ATOM 0 H ASP A 98 2.723 -24.324 20.240 1.00 43.23 H new ATOM 0 HA ASP A 98 4.906 -23.951 20.418 1.00 21.12 H new ATOM 0 HB2 ASP A 98 4.951 -26.427 19.713 1.00 14.41 H new ATOM 0 HB3 ASP A 98 5.343 -25.867 18.099 1.00 14.41 H new ATOM 1494 N GLU A 99 4.454 -22.076 18.510 1.00 74.44 N ATOM 1495 CA GLU A 99 4.751 -20.980 17.596 1.00 43.23 C ATOM 1496 C GLU A 99 6.156 -20.436 17.838 1.00 2.31 C ATOM 1497 O GLU A 99 6.746 -20.655 18.897 1.00 52.30 O ATOM 1498 CB GLU A 99 3.723 -19.858 17.758 1.00 61.24 C ATOM 1499 CG GLU A 99 3.860 -19.090 19.061 1.00 25.25 C ATOM 1500 CD GLU A 99 4.784 -17.894 18.939 1.00 0.23 C ATOM 1501 OE1 GLU A 99 4.640 -17.132 17.960 1.00 2.43 O ATOM 1502 OE2 GLU A 99 5.650 -17.720 19.822 1.00 42.44 O ATOM 0 H GLU A 99 3.755 -21.856 19.220 1.00 74.44 H new ATOM 0 HA GLU A 99 4.699 -21.366 16.578 1.00 43.23 H new ATOM 0 HB2 GLU A 99 3.822 -19.163 16.924 1.00 61.24 H new ATOM 0 HB3 GLU A 99 2.721 -20.284 17.701 1.00 61.24 H new ATOM 0 HG2 GLU A 99 2.875 -18.752 19.384 1.00 25.25 H new ATOM 0 HG3 GLU A 99 4.238 -19.759 19.835 1.00 25.25 H new ATOM 1509 N THR A 100 6.688 -19.725 16.849 1.00 42.15 N ATOM 1510 CA THR A 100 8.024 -19.151 16.952 1.00 13.31 C ATOM 1511 C THR A 100 8.103 -17.810 16.232 1.00 51.51 C ATOM 1512 O THR A 100 7.773 -17.708 15.050 1.00 33.32 O ATOM 1513 CB THR A 100 9.089 -20.098 16.368 1.00 2.44 C ATOM 1514 OG1 THR A 100 8.841 -21.440 16.801 1.00 4.00 O ATOM 1515 CG2 THR A 100 10.485 -19.671 16.797 1.00 62.04 C ATOM 0 H THR A 100 6.214 -19.533 15.967 1.00 42.15 H new ATOM 0 HA THR A 100 8.223 -19.003 18.013 1.00 13.31 H new ATOM 0 HB THR A 100 9.029 -20.051 15.281 1.00 2.44 H new ATOM 0 HG1 THR A 100 9.521 -22.036 16.424 1.00 4.00 H new ATOM 0 HG21 THR A 100 11.221 -20.354 16.373 1.00 62.04 H new ATOM 0 HG22 THR A 100 10.681 -18.660 16.441 1.00 62.04 H new ATOM 0 HG23 THR A 100 10.554 -19.693 17.885 1.00 62.04 H new ATOM 1523 N ASP A 101 8.543 -16.783 16.951 1.00 51.44 N ATOM 1524 CA ASP A 101 8.667 -15.447 16.379 1.00 43.21 C ATOM 1525 C ASP A 101 9.978 -14.793 16.805 1.00 21.12 C ATOM 1526 O ASP A 101 10.061 -14.182 17.870 1.00 32.44 O ATOM 1527 CB ASP A 101 7.486 -14.574 16.805 1.00 34.33 C ATOM 1528 CG ASP A 101 6.376 -14.558 15.773 1.00 75.41 C ATOM 1529 OD1 ASP A 101 6.657 -14.220 14.604 1.00 72.32 O ATOM 1530 OD2 ASP A 101 5.226 -14.885 16.134 1.00 54.13 O ATOM 0 H ASP A 101 8.820 -16.850 17.930 1.00 51.44 H new ATOM 0 HA ASP A 101 8.665 -15.543 15.293 1.00 43.21 H new ATOM 0 HB2 ASP A 101 7.091 -14.939 17.753 1.00 34.33 H new ATOM 0 HB3 ASP A 101 7.834 -13.555 16.976 1.00 34.33 H new ATOM 1535 N ALA A 102 11.000 -14.927 15.967 1.00 63.04 N ATOM 1536 CA ALA A 102 12.307 -14.349 16.256 1.00 13.12 C ATOM 1537 C ALA A 102 13.167 -14.280 14.999 1.00 1.51 C ATOM 1538 O ALA A 102 13.426 -15.297 14.356 1.00 5.40 O ATOM 1539 CB ALA A 102 13.012 -15.154 17.337 1.00 23.03 C ATOM 0 H ALA A 102 10.948 -15.431 15.082 1.00 63.04 H new ATOM 0 HA ALA A 102 12.155 -13.332 16.617 1.00 13.12 H new ATOM 0 HB1 ALA A 102 13.987 -14.711 17.543 1.00 23.03 H new ATOM 0 HB2 ALA A 102 12.411 -15.147 18.246 1.00 23.03 H new ATOM 0 HB3 ALA A 102 13.144 -16.181 16.998 1.00 23.03 H new ATOM 1545 N SER A 103 13.606 -13.073 14.654 1.00 24.41 N ATOM 1546 CA SER A 103 14.434 -12.871 13.471 1.00 62.02 C ATOM 1547 C SER A 103 15.129 -11.514 13.520 1.00 43.23 C ATOM 1548 O SER A 103 14.481 -10.477 13.664 1.00 24.11 O ATOM 1549 CB SER A 103 13.584 -12.976 12.203 1.00 13.24 C ATOM 1550 OG SER A 103 13.194 -11.693 11.743 1.00 33.45 O ATOM 0 H SER A 103 13.402 -12.221 15.177 1.00 24.41 H new ATOM 0 HA SER A 103 15.196 -13.650 13.454 1.00 62.02 H new ATOM 0 HB2 SER A 103 14.149 -13.489 11.424 1.00 13.24 H new ATOM 0 HB3 SER A 103 12.698 -13.579 12.404 1.00 13.24 H new ATOM 0 HG SER A 103 13.269 -11.046 12.475 1.00 33.45 H new ATOM 1556 N SER A 104 16.453 -11.529 13.398 1.00 32.03 N ATOM 1557 CA SER A 104 17.238 -10.301 13.432 1.00 12.43 C ATOM 1558 C SER A 104 18.661 -10.552 12.944 1.00 41.32 C ATOM 1559 O SER A 104 19.441 -11.242 13.599 1.00 61.22 O ATOM 1560 CB SER A 104 17.267 -9.728 14.851 1.00 71.12 C ATOM 1561 OG SER A 104 16.304 -8.700 15.006 1.00 71.13 O ATOM 0 H SER A 104 17.004 -12.378 13.275 1.00 32.03 H new ATOM 0 HA SER A 104 16.766 -9.579 12.766 1.00 12.43 H new ATOM 0 HB2 SER A 104 17.074 -10.523 15.571 1.00 71.12 H new ATOM 0 HB3 SER A 104 18.261 -9.336 15.068 1.00 71.12 H new ATOM 0 HG SER A 104 15.448 -8.994 14.630 1.00 71.13 H new ATOM 1567 N ALA A 105 18.992 -9.986 11.788 1.00 53.53 N ATOM 1568 CA ALA A 105 20.321 -10.146 11.211 1.00 12.52 C ATOM 1569 C ALA A 105 20.744 -8.893 10.451 1.00 31.10 C ATOM 1570 O ALA A 105 20.823 -8.897 9.223 1.00 62.45 O ATOM 1571 CB ALA A 105 20.356 -11.359 10.294 1.00 53.00 C ATOM 0 H ALA A 105 18.358 -9.412 11.232 1.00 53.53 H new ATOM 0 HA ALA A 105 21.028 -10.301 12.026 1.00 12.52 H new ATOM 0 HB1 ALA A 105 21.355 -11.466 9.870 1.00 53.00 H new ATOM 0 HB2 ALA A 105 20.106 -12.254 10.864 1.00 53.00 H new ATOM 0 HB3 ALA A 105 19.633 -11.228 9.489 1.00 53.00 H new ATOM 1577 N VAL A 106 21.014 -7.821 11.189 1.00 21.24 N ATOM 1578 CA VAL A 106 21.430 -6.561 10.585 1.00 75.34 C ATOM 1579 C VAL A 106 22.897 -6.269 10.877 1.00 50.02 C ATOM 1580 O VAL A 106 23.254 -5.873 11.986 1.00 12.45 O ATOM 1581 CB VAL A 106 20.573 -5.386 11.091 1.00 35.03 C ATOM 1582 CG1 VAL A 106 20.992 -4.089 10.416 1.00 75.23 C ATOM 1583 CG2 VAL A 106 19.095 -5.665 10.858 1.00 24.14 C ATOM 0 H VAL A 106 20.952 -7.800 12.207 1.00 21.24 H new ATOM 0 HA VAL A 106 21.291 -6.665 9.509 1.00 75.34 H new ATOM 0 HB VAL A 106 20.734 -5.277 12.164 1.00 35.03 H new ATOM 0 HG11 VAL A 106 20.375 -3.270 10.786 1.00 75.23 H new ATOM 0 HG12 VAL A 106 22.039 -3.884 10.639 1.00 75.23 H new ATOM 0 HG13 VAL A 106 20.863 -4.182 9.338 1.00 75.23 H new ATOM 0 HG21 VAL A 106 18.504 -4.824 11.222 1.00 24.14 H new ATOM 0 HG22 VAL A 106 18.914 -5.801 9.792 1.00 24.14 H new ATOM 0 HG23 VAL A 106 18.807 -6.570 11.394 1.00 24.14 H new ATOM 1593 N LYS A 107 23.745 -6.467 9.873 1.00 1.33 N ATOM 1594 CA LYS A 107 25.175 -6.223 10.020 1.00 1.11 C ATOM 1595 C LYS A 107 25.465 -4.729 10.119 1.00 41.45 C ATOM 1596 O LYS A 107 24.841 -3.918 9.433 1.00 31.52 O ATOM 1597 CB LYS A 107 25.940 -6.825 8.839 1.00 11.02 C ATOM 1598 CG LYS A 107 27.449 -6.751 8.991 1.00 64.21 C ATOM 1599 CD LYS A 107 28.159 -7.180 7.718 1.00 64.11 C ATOM 1600 CE LYS A 107 29.214 -8.239 7.998 1.00 63.52 C ATOM 1601 NZ LYS A 107 29.956 -8.624 6.765 1.00 54.43 N ATOM 0 H LYS A 107 23.466 -6.796 8.949 1.00 1.33 H new ATOM 0 HA LYS A 107 25.507 -6.701 10.942 1.00 1.11 H new ATOM 0 HB2 LYS A 107 25.646 -7.868 8.720 1.00 11.02 H new ATOM 0 HB3 LYS A 107 25.649 -6.306 7.926 1.00 11.02 H new ATOM 0 HG2 LYS A 107 27.740 -5.732 9.246 1.00 64.21 H new ATOM 0 HG3 LYS A 107 27.764 -7.388 9.817 1.00 64.21 H new ATOM 0 HD2 LYS A 107 27.430 -7.570 7.007 1.00 64.11 H new ATOM 0 HD3 LYS A 107 28.627 -6.313 7.251 1.00 64.11 H new ATOM 0 HE2 LYS A 107 29.917 -7.864 8.742 1.00 63.52 H new ATOM 0 HE3 LYS A 107 28.738 -9.121 8.426 1.00 63.52 H new ATOM 0 HZ1 LYS A 107 30.666 -9.348 6.999 1.00 54.43 H new ATOM 0 HZ2 LYS A 107 29.290 -9.006 6.064 1.00 54.43 H new ATOM 0 HZ3 LYS A 107 30.432 -7.787 6.371 1.00 54.43 H new ATOM 1615 N VAL A 108 26.417 -4.370 10.974 1.00 20.23 N ATOM 1616 CA VAL A 108 26.791 -2.973 11.160 1.00 25.41 C ATOM 1617 C VAL A 108 28.088 -2.853 11.954 1.00 55.22 C ATOM 1618 O VAL A 108 28.243 -3.469 13.009 1.00 54.25 O ATOM 1619 CB VAL A 108 25.683 -2.187 11.885 1.00 3.11 C ATOM 1620 CG1 VAL A 108 25.412 -2.787 13.256 1.00 32.11 C ATOM 1621 CG2 VAL A 108 26.062 -0.718 12.003 1.00 65.34 C ATOM 0 H VAL A 108 26.944 -5.028 11.549 1.00 20.23 H new ATOM 0 HA VAL A 108 26.936 -2.549 10.167 1.00 25.41 H new ATOM 0 HB VAL A 108 24.768 -2.257 11.297 1.00 3.11 H new ATOM 0 HG11 VAL A 108 24.626 -2.218 13.753 1.00 32.11 H new ATOM 0 HG12 VAL A 108 25.094 -3.823 13.143 1.00 32.11 H new ATOM 0 HG13 VAL A 108 26.321 -2.750 13.856 1.00 32.11 H new ATOM 0 HG21 VAL A 108 25.268 -0.178 12.518 1.00 65.34 H new ATOM 0 HG22 VAL A 108 26.989 -0.626 12.568 1.00 65.34 H new ATOM 0 HG23 VAL A 108 26.201 -0.297 11.007 1.00 65.34 H new ATOM 1631 N LYS A 109 29.017 -2.054 11.440 1.00 22.43 N ATOM 1632 CA LYS A 109 30.301 -1.850 12.101 1.00 72.11 C ATOM 1633 C LYS A 109 30.819 -0.437 11.857 1.00 44.51 C ATOM 1634 O LYS A 109 30.568 0.154 10.806 1.00 24.02 O ATOM 1635 CB LYS A 109 31.323 -2.873 11.601 1.00 24.23 C ATOM 1636 CG LYS A 109 31.617 -3.978 12.601 1.00 31.05 C ATOM 1637 CD LYS A 109 32.931 -4.676 12.292 1.00 75.13 C ATOM 1638 CE LYS A 109 33.073 -5.970 13.078 1.00 30.20 C ATOM 1639 NZ LYS A 109 32.842 -5.763 14.534 1.00 3.45 N ATOM 0 H LYS A 109 28.905 -1.537 10.568 1.00 22.43 H new ATOM 0 HA LYS A 109 30.156 -1.985 13.173 1.00 72.11 H new ATOM 0 HB2 LYS A 109 30.956 -3.319 10.677 1.00 24.23 H new ATOM 0 HB3 LYS A 109 32.252 -2.357 11.359 1.00 24.23 H new ATOM 0 HG2 LYS A 109 31.654 -3.559 13.607 1.00 31.05 H new ATOM 0 HG3 LYS A 109 30.806 -4.706 12.589 1.00 31.05 H new ATOM 0 HD2 LYS A 109 32.989 -4.889 11.225 1.00 75.13 H new ATOM 0 HD3 LYS A 109 33.762 -4.012 12.530 1.00 75.13 H new ATOM 0 HE2 LYS A 109 32.363 -6.705 12.699 1.00 30.20 H new ATOM 0 HE3 LYS A 109 34.071 -6.381 12.923 1.00 30.20 H new ATOM 0 HZ1 LYS A 109 33.174 -6.596 15.060 1.00 3.45 H new ATOM 0 HZ2 LYS A 109 33.364 -4.922 14.852 1.00 3.45 H new ATOM 0 HZ3 LYS A 109 31.826 -5.626 14.708 1.00 3.45 H new ATOM 1653 N ARG A 110 31.545 0.100 12.833 1.00 34.41 N ATOM 1654 CA ARG A 110 32.099 1.444 12.723 1.00 34.35 C ATOM 1655 C ARG A 110 30.999 2.464 12.443 1.00 30.22 C ATOM 1656 O ARG A 110 30.657 2.721 11.289 1.00 33.14 O ATOM 1657 CB ARG A 110 33.152 1.495 11.615 1.00 13.50 C ATOM 1658 CG ARG A 110 34.491 0.902 12.019 1.00 22.23 C ATOM 1659 CD ARG A 110 35.580 1.963 12.064 1.00 32.42 C ATOM 1660 NE ARG A 110 36.116 2.253 10.737 1.00 1.12 N ATOM 1661 CZ ARG A 110 37.136 3.076 10.521 1.00 63.22 C ATOM 1662 NH1 ARG A 110 37.728 3.686 11.539 1.00 72.24 N ATOM 1663 NH2 ARG A 110 37.567 3.289 9.284 1.00 3.11 N ATOM 0 H ARG A 110 31.763 -0.376 13.709 1.00 34.41 H new ATOM 0 HA ARG A 110 32.570 1.695 13.673 1.00 34.35 H new ATOM 0 HB2 ARG A 110 32.776 0.960 10.743 1.00 13.50 H new ATOM 0 HB3 ARG A 110 33.300 2.532 11.313 1.00 13.50 H new ATOM 0 HG2 ARG A 110 34.401 0.430 12.997 1.00 22.23 H new ATOM 0 HG3 ARG A 110 34.772 0.121 11.313 1.00 22.23 H new ATOM 0 HD2 ARG A 110 35.178 2.877 12.500 1.00 32.42 H new ATOM 0 HD3 ARG A 110 36.387 1.627 12.715 1.00 32.42 H new ATOM 0 HE ARG A 110 35.684 1.799 9.932 1.00 1.12 H new ATOM 0 HH11 ARG A 110 37.400 3.524 12.491 1.00 72.24 H new ATOM 0 HH12 ARG A 110 38.511 4.317 11.370 1.00 72.24 H new ATOM 0 HH21 ARG A 110 37.115 2.821 8.499 1.00 3.11 H new ATOM 0 HH22 ARG A 110 38.350 3.921 9.119 1.00 3.11 H new ATOM 1677 N ALA A 111 30.449 3.041 13.507 1.00 44.04 N ATOM 1678 CA ALA A 111 29.390 4.034 13.375 1.00 20.51 C ATOM 1679 C ALA A 111 29.372 4.979 14.571 1.00 3.31 C ATOM 1680 O ALA A 111 29.796 4.617 15.669 1.00 63.34 O ATOM 1681 CB ALA A 111 28.040 3.348 13.222 1.00 64.11 C ATOM 0 H ALA A 111 30.719 2.838 14.469 1.00 44.04 H new ATOM 0 HA ALA A 111 29.589 4.625 12.481 1.00 20.51 H new ATOM 0 HB1 ALA A 111 27.258 4.101 13.124 1.00 64.11 H new ATOM 0 HB2 ALA A 111 28.051 2.718 12.332 1.00 64.11 H new ATOM 0 HB3 ALA A 111 27.843 2.732 14.100 1.00 64.11 H new ATOM 1687 N VAL A 112 28.880 6.194 14.352 1.00 54.32 N ATOM 1688 CA VAL A 112 28.806 7.193 15.412 1.00 64.50 C ATOM 1689 C VAL A 112 30.199 7.601 15.879 1.00 51.30 C ATOM 1690 O VAL A 112 31.146 6.820 15.795 1.00 41.24 O ATOM 1691 CB VAL A 112 28.004 6.671 16.619 1.00 5.23 C ATOM 1692 CG1 VAL A 112 27.731 7.797 17.605 1.00 72.10 C ATOM 1693 CG2 VAL A 112 26.706 6.028 16.158 1.00 75.12 C ATOM 0 H VAL A 112 28.526 6.511 13.449 1.00 54.32 H new ATOM 0 HA VAL A 112 28.296 8.062 14.995 1.00 64.50 H new ATOM 0 HB VAL A 112 28.598 5.911 17.127 1.00 5.23 H new ATOM 0 HG11 VAL A 112 27.163 7.410 18.451 1.00 72.10 H new ATOM 0 HG12 VAL A 112 28.677 8.207 17.959 1.00 72.10 H new ATOM 0 HG13 VAL A 112 27.157 8.581 17.112 1.00 72.10 H new ATOM 0 HG21 VAL A 112 26.152 5.665 17.024 1.00 75.12 H new ATOM 0 HG22 VAL A 112 26.104 6.764 15.625 1.00 75.12 H new ATOM 0 HG23 VAL A 112 26.929 5.193 15.494 1.00 75.12 H new ATOM 1703 N GLN A 113 30.315 8.830 16.372 1.00 53.21 N ATOM 1704 CA GLN A 113 31.592 9.343 16.852 1.00 23.24 C ATOM 1705 C GLN A 113 31.385 10.376 17.955 1.00 55.24 C ATOM 1706 O GLN A 113 30.433 11.156 17.918 1.00 52.44 O ATOM 1707 CB GLN A 113 32.384 9.962 15.699 1.00 33.00 C ATOM 1708 CG GLN A 113 31.647 11.088 14.991 1.00 23.13 C ATOM 1709 CD GLN A 113 31.752 12.408 15.729 1.00 11.02 C ATOM 1710 OE1 GLN A 113 32.605 12.580 16.600 1.00 23.21 O ATOM 1711 NE2 GLN A 113 30.882 13.350 15.384 1.00 51.00 N ATOM 0 H GLN A 113 29.540 9.489 16.449 1.00 53.21 H new ATOM 0 HA GLN A 113 32.158 8.507 17.264 1.00 23.24 H new ATOM 0 HB2 GLN A 113 33.331 10.343 16.082 1.00 33.00 H new ATOM 0 HB3 GLN A 113 32.624 9.184 14.975 1.00 33.00 H new ATOM 0 HG2 GLN A 113 32.050 11.205 13.985 1.00 23.13 H new ATOM 0 HG3 GLN A 113 30.596 10.819 14.884 1.00 23.13 H new ATOM 0 HE21 GLN A 113 30.191 13.165 14.656 1.00 51.00 H new ATOM 0 HE22 GLN A 113 30.904 14.259 15.846 1.00 51.00 H new ATOM 1720 N LYS A 114 32.281 10.376 18.935 1.00 12.05 N ATOM 1721 CA LYS A 114 32.197 11.314 20.049 1.00 63.31 C ATOM 1722 C LYS A 114 32.336 12.752 19.560 1.00 14.14 C ATOM 1723 O LYS A 114 31.354 13.380 19.164 1.00 53.41 O ATOM 1724 CB LYS A 114 33.284 11.008 21.082 1.00 11.24 C ATOM 1725 CG LYS A 114 32.897 11.386 22.502 1.00 73.43 C ATOM 1726 CD LYS A 114 33.036 12.880 22.739 1.00 34.01 C ATOM 1727 CE LYS A 114 32.627 13.260 24.154 1.00 20.00 C ATOM 1728 NZ LYS A 114 32.585 14.737 24.341 1.00 34.34 N ATOM 0 H LYS A 114 33.075 9.737 18.981 1.00 12.05 H new ATOM 0 HA LYS A 114 31.218 11.200 20.515 1.00 63.31 H new ATOM 0 HB2 LYS A 114 33.516 9.943 21.049 1.00 11.24 H new ATOM 0 HB3 LYS A 114 34.194 11.541 20.808 1.00 11.24 H new ATOM 0 HG2 LYS A 114 31.868 11.081 22.693 1.00 73.43 H new ATOM 0 HG3 LYS A 114 33.527 10.845 23.208 1.00 73.43 H new ATOM 0 HD2 LYS A 114 34.068 13.183 22.564 1.00 34.01 H new ATOM 0 HD3 LYS A 114 32.419 13.422 22.023 1.00 34.01 H new ATOM 0 HE2 LYS A 114 31.647 12.838 24.374 1.00 20.00 H new ATOM 0 HE3 LYS A 114 33.329 12.824 24.865 1.00 20.00 H new ATOM 0 HZ1 LYS A 114 32.302 14.955 25.318 1.00 34.34 H new ATOM 0 HZ2 LYS A 114 33.527 15.137 24.155 1.00 34.34 H new ATOM 0 HZ3 LYS A 114 31.897 15.151 23.681 1.00 34.34 H new TER 1742 LYS A 114