USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 930 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 TYR OH : rot 180:sc= -0.173 USER MOD Set 1.2: A 107 MET CE :methyl -121:sc= -1.88 (180deg=-3.44!) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.0149 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.0245 K(o=-0.039,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -9:sc= 0.559 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 34:sc= 0.741 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -47:sc= 1.15 USER MOD Single : A 20 SER OG : rot 131:sc= -0.401 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 15:sc= 0.9 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0652) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.16! C(o=-1.2!,f=-6.9!) USER MOD Single : A 42 GLN : amide:sc= -0.0032 X(o=-0.0032,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= -1.49 (180deg=-3.98!) USER MOD Single : A 52 THR OG1 : rot 170:sc= -1.15 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00348 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 64:sc= 0.152 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -3.36! C(o=-6.2!,f=-3.4!) USER MOD Single : A 77 ASN : amide:sc= -0.314 K(o=-0.31,f=-3.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= 0.354 K(o=0.35,f=-1.6!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 71:sc= -0.991 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -8.7! C(o=-8.7!,f=-20!) USER MOD Single : A 100 ASN : amide:sc= -3.66! C(o=-3.7!,f=-13!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00286 USER MOD Single : A 112 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.5) USER MOD Single : A 115 THR OG1 : rot -170:sc= 1.05 USER MOD Single : A 117 LYS NZ :NH3+ -125:sc= -4.19! (180deg=-6.97!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.883 -5.206 -21.072 1.00 0.00 N ATOM 2 CA GLY A 1 -28.645 -5.570 -19.892 1.00 0.00 C ATOM 3 C GLY A 1 -30.072 -5.062 -19.944 1.00 0.00 C ATOM 4 O GLY A 1 -31.014 -5.848 -20.054 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.915 -5.576 -20.988 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.336 -5.610 -21.916 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.851 -4.170 -21.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.652 -6.655 -19.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.152 -5.169 -19.007 1.00 0.00 H new ATOM 8 N SER A 2 -30.234 -3.746 -19.862 1.00 0.00 N ATOM 9 CA SER A 2 -31.558 -3.135 -19.895 1.00 0.00 C ATOM 10 C SER A 2 -32.542 -3.925 -19.038 1.00 0.00 C ATOM 11 O SER A 2 -33.695 -4.125 -19.421 1.00 0.00 O ATOM 12 CB SER A 2 -32.069 -3.052 -21.334 1.00 0.00 C ATOM 13 OG SER A 2 -32.416 -4.334 -21.827 1.00 0.00 O ATOM 0 H SER A 2 -29.465 -3.082 -19.772 1.00 0.00 H new ATOM 0 HA SER A 2 -31.476 -2.127 -19.488 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.938 -2.395 -21.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.303 -2.609 -21.970 1.00 0.00 H new ATOM 0 HG SER A 2 -32.114 -5.020 -21.196 1.00 0.00 H new ATOM 19 N SER A 3 -32.078 -4.373 -17.875 1.00 0.00 N ATOM 20 CA SER A 3 -32.916 -5.145 -16.965 1.00 0.00 C ATOM 21 C SER A 3 -32.360 -5.099 -15.545 1.00 0.00 C ATOM 22 O SER A 3 -31.164 -4.895 -15.340 1.00 0.00 O ATOM 23 CB SER A 3 -33.017 -6.596 -17.438 1.00 0.00 C ATOM 24 OG SER A 3 -31.818 -7.304 -17.172 1.00 0.00 O ATOM 0 H SER A 3 -31.127 -4.215 -17.541 1.00 0.00 H new ATOM 0 HA SER A 3 -33.912 -4.701 -16.962 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.852 -7.087 -16.938 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.227 -6.619 -18.507 1.00 0.00 H new ATOM 0 HG SER A 3 -31.909 -8.229 -17.482 1.00 0.00 H new ATOM 30 N GLY A 4 -33.239 -5.290 -14.565 1.00 0.00 N ATOM 31 CA GLY A 4 -32.818 -5.266 -13.176 1.00 0.00 C ATOM 32 C GLY A 4 -32.749 -3.860 -12.615 1.00 0.00 C ATOM 33 O GLY A 4 -31.732 -3.460 -12.049 1.00 0.00 O ATOM 0 H GLY A 4 -34.234 -5.461 -14.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.512 -5.858 -12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.839 -5.737 -13.088 1.00 0.00 H new ATOM 37 N SER A 5 -33.832 -3.107 -12.774 1.00 0.00 N ATOM 38 CA SER A 5 -33.888 -1.734 -12.284 1.00 0.00 C ATOM 39 C SER A 5 -34.124 -1.705 -10.777 1.00 0.00 C ATOM 40 O SER A 5 -34.721 -2.622 -10.213 1.00 0.00 O ATOM 41 CB SER A 5 -34.996 -0.959 -13.000 1.00 0.00 C ATOM 42 OG SER A 5 -36.272 -1.496 -12.697 1.00 0.00 O ATOM 0 H SER A 5 -34.683 -3.424 -13.238 1.00 0.00 H new ATOM 0 HA SER A 5 -32.929 -1.260 -12.494 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.960 0.090 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.830 -0.993 -14.077 1.00 0.00 H new ATOM 0 HG SER A 5 -36.963 -0.982 -13.165 1.00 0.00 H new ATOM 48 N SER A 6 -33.650 -0.644 -10.131 1.00 0.00 N ATOM 49 CA SER A 6 -33.805 -0.496 -8.689 1.00 0.00 C ATOM 50 C SER A 6 -35.255 -0.726 -8.272 1.00 0.00 C ATOM 51 O SER A 6 -36.104 0.151 -8.426 1.00 0.00 O ATOM 52 CB SER A 6 -33.351 0.896 -8.246 1.00 0.00 C ATOM 53 OG SER A 6 -31.944 1.033 -8.358 1.00 0.00 O ATOM 0 H SER A 6 -33.156 0.125 -10.583 1.00 0.00 H new ATOM 0 HA SER A 6 -33.181 -1.246 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.843 1.654 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.656 1.070 -7.214 1.00 0.00 H new ATOM 0 HG SER A 6 -31.679 1.932 -8.071 1.00 0.00 H new ATOM 59 N GLY A 7 -35.530 -1.914 -7.742 1.00 0.00 N ATOM 60 CA GLY A 7 -36.877 -2.240 -7.311 1.00 0.00 C ATOM 61 C GLY A 7 -36.939 -3.542 -6.536 1.00 0.00 C ATOM 62 O GLY A 7 -36.703 -3.567 -5.328 1.00 0.00 O ATOM 0 H GLY A 7 -34.844 -2.656 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -37.262 -1.432 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -37.528 -2.308 -8.183 1.00 0.00 H new ATOM 66 N THR A 8 -37.258 -4.628 -7.232 1.00 0.00 N ATOM 67 CA THR A 8 -37.353 -5.939 -6.602 1.00 0.00 C ATOM 68 C THR A 8 -35.972 -6.491 -6.270 1.00 0.00 C ATOM 69 O THR A 8 -35.206 -6.851 -7.164 1.00 0.00 O ATOM 70 CB THR A 8 -38.092 -6.945 -7.506 1.00 0.00 C ATOM 71 OG1 THR A 8 -37.409 -7.071 -8.759 1.00 0.00 O ATOM 72 CG2 THR A 8 -39.527 -6.502 -7.747 1.00 0.00 C ATOM 0 H THR A 8 -37.455 -4.626 -8.233 1.00 0.00 H new ATOM 0 HA THR A 8 -37.919 -5.806 -5.680 1.00 0.00 H new ATOM 0 HB THR A 8 -38.106 -7.911 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 8 -36.445 -6.970 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 8 -40.029 -7.227 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 8 -40.052 -6.435 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 8 -39.530 -5.526 -8.232 1.00 0.00 H new ATOM 80 N ALA A 9 -35.660 -6.556 -4.980 1.00 0.00 N ATOM 81 CA ALA A 9 -34.371 -7.067 -4.531 1.00 0.00 C ATOM 82 C ALA A 9 -34.531 -7.955 -3.301 1.00 0.00 C ATOM 83 O ALA A 9 -35.644 -8.172 -2.821 1.00 0.00 O ATOM 84 CB ALA A 9 -33.421 -5.916 -4.234 1.00 0.00 C ATOM 0 H ALA A 9 -36.282 -6.261 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 9 -33.949 -7.674 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -32.462 -6.313 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -33.274 -5.324 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -33.846 -5.286 -3.452 1.00 0.00 H new ATOM 90 N HIS A 10 -33.413 -8.465 -2.795 1.00 0.00 N ATOM 91 CA HIS A 10 -33.429 -9.329 -1.621 1.00 0.00 C ATOM 92 C HIS A 10 -33.257 -8.513 -0.343 1.00 0.00 C ATOM 93 O HIS A 10 -32.354 -8.770 0.453 1.00 0.00 O ATOM 94 CB HIS A 10 -32.325 -10.382 -1.720 1.00 0.00 C ATOM 95 CG HIS A 10 -32.556 -11.392 -2.802 1.00 0.00 C ATOM 96 ND1 HIS A 10 -33.571 -12.324 -2.758 1.00 0.00 N ATOM 97 CD2 HIS A 10 -31.896 -11.611 -3.964 1.00 0.00 C ATOM 98 CE1 HIS A 10 -33.525 -13.074 -3.845 1.00 0.00 C ATOM 99 NE2 HIS A 10 -32.518 -12.661 -4.593 1.00 0.00 N ATOM 0 H HIS A 10 -32.484 -8.295 -3.180 1.00 0.00 H new ATOM 0 HA HIS A 10 -34.396 -9.831 -1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -31.373 -9.882 -1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -32.240 -10.899 -0.764 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -31.040 -11.062 -4.328 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -34.196 -13.886 -4.081 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -32.246 -13.058 -5.492 1.00 0.00 H new ATOM 108 N GLY A 11 -34.129 -7.527 -0.154 1.00 0.00 N ATOM 109 CA GLY A 11 -34.055 -6.688 1.028 1.00 0.00 C ATOM 110 C GLY A 11 -34.141 -5.211 0.697 1.00 0.00 C ATOM 111 O GLY A 11 -34.145 -4.828 -0.474 1.00 0.00 O ATOM 0 H GLY A 11 -34.885 -7.294 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -34.864 -6.952 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -33.120 -6.886 1.552 1.00 0.00 H new ATOM 115 N THR A 12 -34.213 -4.378 1.730 1.00 0.00 N ATOM 116 CA THR A 12 -34.304 -2.935 1.544 1.00 0.00 C ATOM 117 C THR A 12 -32.974 -2.358 1.071 1.00 0.00 C ATOM 118 O THR A 12 -32.903 -1.709 0.027 1.00 0.00 O ATOM 119 CB THR A 12 -34.725 -2.226 2.844 1.00 0.00 C ATOM 120 OG1 THR A 12 -35.935 -2.804 3.348 1.00 0.00 O ATOM 121 CG2 THR A 12 -34.929 -0.737 2.607 1.00 0.00 C ATOM 0 H THR A 12 -34.210 -4.678 2.705 1.00 0.00 H new ATOM 0 HA THR A 12 -35.064 -2.761 0.783 1.00 0.00 H new ATOM 0 HB THR A 12 -33.928 -2.355 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 12 -36.195 -2.349 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 -35.226 -0.257 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 12 -33.999 -0.294 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 12 -35.709 -0.591 1.860 1.00 0.00 H new ATOM 129 N THR A 13 -31.921 -2.598 1.846 1.00 0.00 N ATOM 130 CA THR A 13 -30.594 -2.101 1.507 1.00 0.00 C ATOM 131 C THR A 13 -29.770 -3.171 0.800 1.00 0.00 C ATOM 132 O THR A 13 -29.640 -4.293 1.290 1.00 0.00 O ATOM 133 CB THR A 13 -29.833 -1.630 2.761 1.00 0.00 C ATOM 134 OG1 THR A 13 -30.567 -0.590 3.417 1.00 0.00 O ATOM 135 CG2 THR A 13 -28.446 -1.124 2.394 1.00 0.00 C ATOM 0 H THR A 13 -31.962 -3.134 2.713 1.00 0.00 H new ATOM 0 HA THR A 13 -30.736 -1.253 0.837 1.00 0.00 H new ATOM 0 HB THR A 13 -29.726 -2.480 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 13 -30.078 -0.297 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 13 -27.928 -0.797 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 13 -27.880 -1.926 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 13 -28.536 -0.286 1.703 1.00 0.00 H new ATOM 143 N PHE A 14 -29.215 -2.817 -0.355 1.00 0.00 N ATOM 144 CA PHE A 14 -28.404 -3.749 -1.130 1.00 0.00 C ATOM 145 C PHE A 14 -27.089 -3.101 -1.554 1.00 0.00 C ATOM 146 O PHE A 14 -27.070 -1.971 -2.040 1.00 0.00 O ATOM 147 CB PHE A 14 -29.173 -4.222 -2.365 1.00 0.00 C ATOM 148 CG PHE A 14 -28.763 -5.587 -2.840 1.00 0.00 C ATOM 149 CD1 PHE A 14 -29.299 -6.726 -2.262 1.00 0.00 C ATOM 150 CD2 PHE A 14 -27.841 -5.730 -3.865 1.00 0.00 C ATOM 151 CE1 PHE A 14 -28.922 -7.983 -2.697 1.00 0.00 C ATOM 152 CE2 PHE A 14 -27.461 -6.984 -4.304 1.00 0.00 C ATOM 153 CZ PHE A 14 -28.002 -8.112 -3.720 1.00 0.00 C ATOM 0 H PHE A 14 -29.312 -1.892 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 14 -28.179 -4.609 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -30.239 -4.230 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -29.024 -3.505 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -30.019 -6.631 -1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -27.415 -4.851 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.346 -8.864 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.741 -7.082 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.707 -9.093 -4.062 1.00 0.00 H new ATOM 163 N GLU A 15 -25.991 -3.827 -1.365 1.00 0.00 N ATOM 164 CA GLU A 15 -24.671 -3.323 -1.726 1.00 0.00 C ATOM 165 C GLU A 15 -23.991 -4.249 -2.729 1.00 0.00 C ATOM 166 O GLU A 15 -24.422 -5.385 -2.935 1.00 0.00 O ATOM 167 CB GLU A 15 -23.798 -3.176 -0.478 1.00 0.00 C ATOM 168 CG GLU A 15 -23.950 -1.833 0.216 1.00 0.00 C ATOM 169 CD GLU A 15 -23.264 -1.793 1.568 1.00 0.00 C ATOM 170 OE1 GLU A 15 -22.017 -1.729 1.597 1.00 0.00 O ATOM 171 OE2 GLU A 15 -23.972 -1.827 2.595 1.00 0.00 O ATOM 0 H GLU A 15 -25.990 -4.765 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.798 -2.345 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.048 -3.970 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.754 -3.315 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.536 -1.051 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -25.010 -1.612 0.344 1.00 0.00 H new ATOM 178 N LEU A 16 -22.926 -3.757 -3.352 1.00 0.00 N ATOM 179 CA LEU A 16 -22.185 -4.539 -4.336 1.00 0.00 C ATOM 180 C LEU A 16 -20.699 -4.197 -4.297 1.00 0.00 C ATOM 181 O LEU A 16 -20.297 -3.090 -4.655 1.00 0.00 O ATOM 182 CB LEU A 16 -22.741 -4.290 -5.739 1.00 0.00 C ATOM 183 CG LEU A 16 -24.219 -4.623 -5.944 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.751 -3.942 -7.195 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.419 -6.130 -6.029 1.00 0.00 C ATOM 0 H LEU A 16 -22.556 -2.820 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.303 -5.594 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.588 -3.240 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -22.156 -4.874 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.778 -4.250 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.804 -4.191 -7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.643 -2.862 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.188 -4.285 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.477 -6.349 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.847 -6.526 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.076 -6.595 -5.105 1.00 0.00 H new ATOM 197 N VAL A 17 -19.887 -5.155 -3.861 1.00 0.00 N ATOM 198 CA VAL A 17 -18.445 -4.956 -3.778 1.00 0.00 C ATOM 199 C VAL A 17 -17.887 -4.426 -5.094 1.00 0.00 C ATOM 200 O VAL A 17 -18.391 -4.727 -6.176 1.00 0.00 O ATOM 201 CB VAL A 17 -17.718 -6.264 -3.414 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.062 -6.689 -1.995 1.00 0.00 C ATOM 203 CG2 VAL A 17 -18.068 -7.362 -4.407 1.00 0.00 C ATOM 0 H VAL A 17 -20.203 -6.077 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.271 -4.222 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.643 -6.088 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.539 -7.615 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.757 -5.909 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.137 -6.848 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.546 -8.279 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.143 -7.538 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.766 -7.056 -5.409 1.00 0.00 H new ATOM 213 N PRO A 18 -16.821 -3.618 -5.002 1.00 0.00 N ATOM 214 CA PRO A 18 -16.169 -3.030 -6.176 1.00 0.00 C ATOM 215 C PRO A 18 -15.432 -4.071 -7.012 1.00 0.00 C ATOM 216 O PRO A 18 -14.331 -4.498 -6.661 1.00 0.00 O ATOM 217 CB PRO A 18 -15.180 -2.032 -5.570 1.00 0.00 C ATOM 218 CG PRO A 18 -14.897 -2.559 -4.206 1.00 0.00 C ATOM 219 CD PRO A 18 -16.168 -3.217 -3.744 1.00 0.00 C ATOM 0 HA PRO A 18 -16.889 -2.577 -6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.269 -1.966 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.606 -1.030 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.073 -3.273 -4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.606 -1.755 -3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.966 -4.076 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.790 -2.531 -3.169 1.00 0.00 H new ATOM 227 N THR A 19 -16.044 -4.475 -8.121 1.00 0.00 N ATOM 228 CA THR A 19 -15.445 -5.466 -9.006 1.00 0.00 C ATOM 229 C THR A 19 -14.471 -4.815 -9.981 1.00 0.00 C ATOM 230 O THR A 19 -14.159 -5.378 -11.030 1.00 0.00 O ATOM 231 CB THR A 19 -16.520 -6.228 -9.804 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.909 -7.258 -10.589 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.292 -5.282 -10.713 1.00 0.00 C ATOM 0 H THR A 19 -16.954 -4.131 -8.427 1.00 0.00 H new ATOM 0 HA THR A 19 -14.905 -6.170 -8.373 1.00 0.00 H new ATOM 0 HB THR A 19 -17.217 -6.676 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.133 -6.892 -11.062 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.045 -5.843 -11.266 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.780 -4.516 -10.111 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.604 -4.809 -11.414 1.00 0.00 H new ATOM 241 N SER A 20 -13.992 -3.627 -9.627 1.00 0.00 N ATOM 242 CA SER A 20 -13.054 -2.898 -10.472 1.00 0.00 C ATOM 243 C SER A 20 -11.898 -2.341 -9.647 1.00 0.00 C ATOM 244 O SER A 20 -12.066 -1.912 -8.506 1.00 0.00 O ATOM 245 CB SER A 20 -13.771 -1.758 -11.200 1.00 0.00 C ATOM 246 OG SER A 20 -13.985 -0.656 -10.336 1.00 0.00 O ATOM 0 H SER A 20 -14.238 -3.149 -8.760 1.00 0.00 H new ATOM 0 HA SER A 20 -12.650 -3.594 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.179 -1.441 -12.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.727 -2.113 -11.586 1.00 0.00 H new ATOM 0 HG SER A 20 -13.686 0.167 -10.776 1.00 0.00 H new ATOM 252 N PRO A 21 -10.693 -2.349 -10.238 1.00 0.00 N ATOM 253 CA PRO A 21 -9.485 -1.848 -9.576 1.00 0.00 C ATOM 254 C PRO A 21 -9.501 -0.333 -9.408 1.00 0.00 C ATOM 255 O PRO A 21 -10.277 0.378 -10.046 1.00 0.00 O ATOM 256 CB PRO A 21 -8.361 -2.268 -10.527 1.00 0.00 C ATOM 257 CG PRO A 21 -9.014 -2.379 -11.861 1.00 0.00 C ATOM 258 CD PRO A 21 -10.419 -2.846 -11.596 1.00 0.00 C ATOM 0 HA PRO A 21 -9.380 -2.244 -8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.558 -1.531 -10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.919 -3.217 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.013 -1.419 -12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.482 -3.085 -12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.122 -2.438 -12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.499 -3.932 -11.650 1.00 0.00 H new ATOM 266 N PRO A 22 -8.625 0.175 -8.528 1.00 0.00 N ATOM 267 CA PRO A 22 -8.519 1.612 -8.256 1.00 0.00 C ATOM 268 C PRO A 22 -7.934 2.383 -9.434 1.00 0.00 C ATOM 269 O PRO A 22 -7.651 1.810 -10.487 1.00 0.00 O ATOM 270 CB PRO A 22 -7.576 1.676 -7.053 1.00 0.00 C ATOM 271 CG PRO A 22 -6.764 0.430 -7.141 1.00 0.00 C ATOM 272 CD PRO A 22 -7.670 -0.614 -7.732 1.00 0.00 C ATOM 0 HA PRO A 22 -9.493 2.066 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.944 2.564 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.132 1.721 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.884 0.581 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.408 0.126 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.118 -1.321 -8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.174 -1.194 -6.958 1.00 0.00 H new ATOM 280 N LYS A 23 -7.753 3.687 -9.251 1.00 0.00 N ATOM 281 CA LYS A 23 -7.199 4.538 -10.297 1.00 0.00 C ATOM 282 C LYS A 23 -6.279 5.600 -9.704 1.00 0.00 C ATOM 283 O LYS A 23 -6.106 5.676 -8.488 1.00 0.00 O ATOM 284 CB LYS A 23 -8.325 5.206 -11.089 1.00 0.00 C ATOM 285 CG LYS A 23 -9.559 4.334 -11.247 1.00 0.00 C ATOM 286 CD LYS A 23 -10.541 4.932 -12.240 1.00 0.00 C ATOM 287 CE LYS A 23 -10.069 4.744 -13.673 1.00 0.00 C ATOM 288 NZ LYS A 23 -10.674 5.747 -14.593 1.00 0.00 N ATOM 0 H LYS A 23 -7.982 4.178 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.614 3.911 -10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.607 6.133 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.952 5.476 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.263 3.340 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.047 4.213 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.518 4.465 -12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.667 5.995 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.983 4.825 -13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.326 3.740 -14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.327 5.585 -15.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.710 5.653 -14.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.408 6.704 -14.286 1.00 0.00 H new ATOM 302 N ASP A 24 -5.694 6.420 -10.571 1.00 0.00 N ATOM 303 CA ASP A 24 -4.795 7.480 -10.132 1.00 0.00 C ATOM 304 C ASP A 24 -3.731 6.934 -9.185 1.00 0.00 C ATOM 305 O ASP A 24 -3.424 7.543 -8.161 1.00 0.00 O ATOM 306 CB ASP A 24 -5.583 8.596 -9.444 1.00 0.00 C ATOM 307 CG ASP A 24 -4.887 9.939 -9.536 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.590 10.378 -10.667 1.00 0.00 O ATOM 309 OD2 ASP A 24 -4.639 10.552 -8.477 1.00 0.00 O ATOM 0 H ASP A 24 -5.827 6.371 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.298 7.887 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.572 8.671 -9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.732 8.338 -8.395 1.00 0.00 H new ATOM 314 N VAL A 25 -3.172 5.779 -9.534 1.00 0.00 N ATOM 315 CA VAL A 25 -2.143 5.150 -8.716 1.00 0.00 C ATOM 316 C VAL A 25 -0.797 5.844 -8.895 1.00 0.00 C ATOM 317 O VAL A 25 -0.334 6.045 -10.019 1.00 0.00 O ATOM 318 CB VAL A 25 -1.988 3.656 -9.059 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.783 3.065 -8.342 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.256 2.894 -8.706 1.00 0.00 C ATOM 0 H VAL A 25 -3.415 5.260 -10.378 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.462 5.246 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.823 3.563 -10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.690 2.009 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.119 3.594 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.914 3.168 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.129 1.840 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.455 2.993 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.095 3.301 -9.271 1.00 0.00 H new ATOM 330 N THR A 26 -0.172 6.208 -7.780 1.00 0.00 N ATOM 331 CA THR A 26 1.121 6.880 -7.814 1.00 0.00 C ATOM 332 C THR A 26 1.944 6.551 -6.574 1.00 0.00 C ATOM 333 O THR A 26 1.401 6.388 -5.481 1.00 0.00 O ATOM 334 CB THR A 26 0.957 8.408 -7.916 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.060 8.853 -7.012 1.00 0.00 O ATOM 336 CG2 THR A 26 0.597 8.820 -9.335 1.00 0.00 C ATOM 0 H THR A 26 -0.540 6.049 -6.842 1.00 0.00 H new ATOM 0 HA THR A 26 1.642 6.518 -8.700 1.00 0.00 H new ATOM 0 HB THR A 26 1.907 8.872 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.254 8.145 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.486 9.903 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.387 8.506 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.341 8.347 -9.624 1.00 0.00 H new ATOM 344 N VAL A 27 3.258 6.453 -6.750 1.00 0.00 N ATOM 345 CA VAL A 27 4.157 6.145 -5.644 1.00 0.00 C ATOM 346 C VAL A 27 5.280 7.171 -5.547 1.00 0.00 C ATOM 347 O VAL A 27 6.211 7.168 -6.353 1.00 0.00 O ATOM 348 CB VAL A 27 4.771 4.740 -5.795 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.607 4.389 -4.574 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.681 3.704 -6.021 1.00 0.00 C ATOM 0 H VAL A 27 3.724 6.582 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 27 3.560 6.177 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 27 5.426 4.740 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.033 3.393 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.411 5.116 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.977 4.406 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.133 2.718 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.999 3.702 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.129 3.948 -6.929 1.00 0.00 H new ATOM 360 N VAL A 28 5.188 8.049 -4.553 1.00 0.00 N ATOM 361 CA VAL A 28 6.197 9.081 -4.348 1.00 0.00 C ATOM 362 C VAL A 28 7.074 8.760 -3.142 1.00 0.00 C ATOM 363 O VAL A 28 6.753 7.879 -2.345 1.00 0.00 O ATOM 364 CB VAL A 28 5.552 10.465 -4.146 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.712 10.844 -5.356 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.713 10.481 -2.877 1.00 0.00 C ATOM 0 H VAL A 28 4.424 8.066 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 28 6.814 9.104 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 28 6.345 11.205 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.264 11.825 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.345 10.875 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.924 10.104 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.265 11.466 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.926 9.731 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.347 10.257 -2.019 1.00 0.00 H new ATOM 376 N SER A 29 8.183 9.482 -3.015 1.00 0.00 N ATOM 377 CA SER A 29 9.108 9.273 -1.908 1.00 0.00 C ATOM 378 C SER A 29 9.075 10.453 -0.941 1.00 0.00 C ATOM 379 O SER A 29 8.618 11.542 -1.288 1.00 0.00 O ATOM 380 CB SER A 29 10.530 9.072 -2.436 1.00 0.00 C ATOM 381 OG SER A 29 10.864 10.062 -3.393 1.00 0.00 O ATOM 0 H SER A 29 8.462 10.217 -3.665 1.00 0.00 H new ATOM 0 HA SER A 29 8.796 8.377 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.237 9.109 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.618 8.083 -2.886 1.00 0.00 H new ATOM 0 HG SER A 29 11.778 9.912 -3.713 1.00 0.00 H new ATOM 387 N LYS A 30 9.562 10.227 0.274 1.00 0.00 N ATOM 388 CA LYS A 30 9.590 11.270 1.294 1.00 0.00 C ATOM 389 C LYS A 30 10.965 11.925 1.364 1.00 0.00 C ATOM 390 O LYS A 30 11.989 11.242 1.344 1.00 0.00 O ATOM 391 CB LYS A 30 9.220 10.686 2.659 1.00 0.00 C ATOM 392 CG LYS A 30 9.105 11.731 3.756 1.00 0.00 C ATOM 393 CD LYS A 30 8.400 11.177 4.982 1.00 0.00 C ATOM 394 CE LYS A 30 7.763 12.284 5.808 1.00 0.00 C ATOM 395 NZ LYS A 30 7.193 11.769 7.083 1.00 0.00 N ATOM 0 H LYS A 30 9.943 9.331 0.577 1.00 0.00 H new ATOM 0 HA LYS A 30 8.859 12.031 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.272 10.156 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.972 9.951 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.100 12.079 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.558 12.596 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.634 10.466 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.114 10.628 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.509 13.048 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.976 12.764 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.769 12.555 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.463 11.058 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.948 11.334 7.650 1.00 0.00 H new ATOM 409 N GLU A 31 10.981 13.251 1.448 1.00 0.00 N ATOM 410 CA GLU A 31 12.231 13.997 1.522 1.00 0.00 C ATOM 411 C GLU A 31 12.941 13.738 2.848 1.00 0.00 C ATOM 412 O GLU A 31 14.049 13.203 2.877 1.00 0.00 O ATOM 413 CB GLU A 31 11.968 15.495 1.356 1.00 0.00 C ATOM 414 CG GLU A 31 13.230 16.341 1.385 1.00 0.00 C ATOM 415 CD GLU A 31 12.974 17.784 0.994 1.00 0.00 C ATOM 416 OE1 GLU A 31 12.997 18.082 -0.218 1.00 0.00 O ATOM 417 OE2 GLU A 31 12.751 18.614 1.900 1.00 0.00 O ATOM 0 H GLU A 31 10.142 13.831 1.467 1.00 0.00 H new ATOM 0 HA GLU A 31 12.876 13.657 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.450 15.662 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.299 15.828 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.660 16.311 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.967 15.910 0.708 1.00 0.00 H new ATOM 424 N GLY A 32 12.295 14.123 3.944 1.00 0.00 N ATOM 425 CA GLY A 32 12.879 13.925 5.258 1.00 0.00 C ATOM 426 C GLY A 32 13.560 12.578 5.392 1.00 0.00 C ATOM 427 O GLY A 32 14.621 12.469 6.008 1.00 0.00 O ATOM 0 H GLY A 32 11.377 14.569 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.603 14.716 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.100 14.012 6.015 1.00 0.00 H new ATOM 431 N LYS A 33 12.950 11.548 4.816 1.00 0.00 N ATOM 432 CA LYS A 33 13.504 10.200 4.874 1.00 0.00 C ATOM 433 C LYS A 33 13.359 9.494 3.530 1.00 0.00 C ATOM 434 O LYS A 33 12.284 9.464 2.931 1.00 0.00 O ATOM 435 CB LYS A 33 12.808 9.387 5.968 1.00 0.00 C ATOM 436 CG LYS A 33 13.744 8.466 6.731 1.00 0.00 C ATOM 437 CD LYS A 33 13.708 7.052 6.177 1.00 0.00 C ATOM 438 CE LYS A 33 14.011 6.023 7.256 1.00 0.00 C ATOM 439 NZ LYS A 33 15.463 5.699 7.322 1.00 0.00 N ATOM 0 H LYS A 33 12.071 11.621 4.303 1.00 0.00 H new ATOM 0 HA LYS A 33 14.565 10.280 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.333 10.071 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.014 8.792 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.761 8.853 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.464 8.452 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.726 6.853 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.433 6.958 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.679 6.402 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.444 5.113 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.587 4.736 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.876 5.758 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.942 6.377 7.949 1.00 0.00 H new ATOM 453 N PRO A 34 14.464 8.910 3.045 1.00 0.00 N ATOM 454 CA PRO A 34 14.484 8.191 1.768 1.00 0.00 C ATOM 455 C PRO A 34 13.700 6.884 1.826 1.00 0.00 C ATOM 456 O PRO A 34 12.838 6.627 0.985 1.00 0.00 O ATOM 457 CB PRO A 34 15.972 7.913 1.540 1.00 0.00 C ATOM 458 CG PRO A 34 16.569 7.907 2.905 1.00 0.00 C ATOM 459 CD PRO A 34 15.780 8.905 3.706 1.00 0.00 C ATOM 0 HA PRO A 34 14.017 8.767 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.124 6.958 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.426 8.680 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.511 6.915 3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.624 8.180 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.703 8.609 4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.243 9.892 3.687 1.00 0.00 H new ATOM 467 N LYS A 35 14.005 6.060 2.823 1.00 0.00 N ATOM 468 CA LYS A 35 13.329 4.780 2.992 1.00 0.00 C ATOM 469 C LYS A 35 11.816 4.967 3.050 1.00 0.00 C ATOM 470 O LYS A 35 11.057 4.129 2.563 1.00 0.00 O ATOM 471 CB LYS A 35 13.817 4.087 4.267 1.00 0.00 C ATOM 472 CG LYS A 35 15.290 3.722 4.234 1.00 0.00 C ATOM 473 CD LYS A 35 15.615 2.624 5.233 1.00 0.00 C ATOM 474 CE LYS A 35 17.116 2.468 5.423 1.00 0.00 C ATOM 475 NZ LYS A 35 17.713 1.561 4.404 1.00 0.00 N ATOM 0 H LYS A 35 14.717 6.257 3.527 1.00 0.00 H new ATOM 0 HA LYS A 35 13.567 4.155 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.632 4.741 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.230 3.182 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.562 3.394 3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.890 4.605 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.148 2.853 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.191 1.681 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.593 3.446 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.317 2.076 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.737 1.481 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.276 0.620 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.544 1.948 3.453 1.00 0.00 H new ATOM 489 N THR A 36 11.383 6.073 3.648 1.00 0.00 N ATOM 490 CA THR A 36 9.962 6.371 3.769 1.00 0.00 C ATOM 491 C THR A 36 9.373 6.796 2.429 1.00 0.00 C ATOM 492 O THR A 36 9.990 7.558 1.683 1.00 0.00 O ATOM 493 CB THR A 36 9.706 7.481 4.805 1.00 0.00 C ATOM 494 OG1 THR A 36 10.215 7.085 6.083 1.00 0.00 O ATOM 495 CG2 THR A 36 8.220 7.786 4.916 1.00 0.00 C ATOM 0 H THR A 36 11.997 6.777 4.056 1.00 0.00 H new ATOM 0 HA THR A 36 9.475 5.455 4.102 1.00 0.00 H new ATOM 0 HB THR A 36 10.221 8.383 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.050 7.797 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.064 8.573 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.843 8.116 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.686 6.888 5.226 1.00 0.00 H new ATOM 503 N ILE A 37 8.177 6.301 2.129 1.00 0.00 N ATOM 504 CA ILE A 37 7.506 6.632 0.878 1.00 0.00 C ATOM 505 C ILE A 37 6.015 6.867 1.101 1.00 0.00 C ATOM 506 O ILE A 37 5.447 6.415 2.095 1.00 0.00 O ATOM 507 CB ILE A 37 7.687 5.519 -0.171 1.00 0.00 C ATOM 508 CG1 ILE A 37 6.985 4.239 0.286 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.166 5.260 -0.417 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.602 3.320 -0.853 1.00 0.00 C ATOM 0 H ILE A 37 7.653 5.670 2.735 1.00 0.00 H new ATOM 0 HA ILE A 37 7.966 7.548 0.506 1.00 0.00 H new ATOM 0 HB ILE A 37 7.234 5.844 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.639 3.701 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.088 4.506 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.278 4.471 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.639 6.172 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.641 4.951 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.109 2.433 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.923 3.841 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.498 3.023 -1.398 1.00 0.00 H new ATOM 522 N ILE A 38 5.389 7.577 0.168 1.00 0.00 N ATOM 523 CA ILE A 38 3.964 7.869 0.261 1.00 0.00 C ATOM 524 C ILE A 38 3.230 7.434 -1.003 1.00 0.00 C ATOM 525 O ILE A 38 3.502 7.933 -2.095 1.00 0.00 O ATOM 526 CB ILE A 38 3.711 9.370 0.497 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.388 9.826 1.791 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.218 9.655 0.545 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.841 10.206 1.612 1.00 0.00 C ATOM 0 H ILE A 38 5.846 7.960 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 38 3.582 7.306 1.112 1.00 0.00 H new ATOM 0 HB ILE A 38 4.141 9.931 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.845 10.681 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.318 9.027 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.056 10.720 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.761 9.363 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.765 9.087 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.256 10.519 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.398 9.347 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.917 11.026 0.898 1.00 0.00 H new ATOM 541 N VAL A 39 2.295 6.502 -0.847 1.00 0.00 N ATOM 542 CA VAL A 39 1.519 6.002 -1.975 1.00 0.00 C ATOM 543 C VAL A 39 0.190 6.738 -2.097 1.00 0.00 C ATOM 544 O VAL A 39 -0.687 6.604 -1.245 1.00 0.00 O ATOM 545 CB VAL A 39 1.246 4.491 -1.843 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.336 4.013 -2.964 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.553 3.713 -1.835 1.00 0.00 C ATOM 0 H VAL A 39 2.057 6.078 0.050 1.00 0.00 H new ATOM 0 HA VAL A 39 2.113 6.180 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 39 0.738 4.312 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.154 2.944 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.612 4.549 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.813 4.203 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.342 2.648 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.091 3.896 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.164 4.037 -0.993 1.00 0.00 H new ATOM 557 N ASN A 40 0.047 7.517 -3.165 1.00 0.00 N ATOM 558 CA ASN A 40 -1.176 8.277 -3.399 1.00 0.00 C ATOM 559 C ASN A 40 -2.030 7.613 -4.476 1.00 0.00 C ATOM 560 O ASN A 40 -1.565 7.371 -5.589 1.00 0.00 O ATOM 561 CB ASN A 40 -0.839 9.711 -3.812 1.00 0.00 C ATOM 562 CG ASN A 40 0.441 10.212 -3.171 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.497 9.592 -3.302 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.352 11.338 -2.474 1.00 0.00 N ATOM 0 H ASN A 40 0.763 7.638 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.745 8.298 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.742 9.761 -4.897 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.663 10.369 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.180 11.724 -2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.544 11.818 -2.392 1.00 0.00 H new ATOM 571 N TRP A 41 -3.280 7.322 -4.135 1.00 0.00 N ATOM 572 CA TRP A 41 -4.199 6.687 -5.072 1.00 0.00 C ATOM 573 C TRP A 41 -5.609 7.248 -4.917 1.00 0.00 C ATOM 574 O TRP A 41 -5.833 8.179 -4.144 1.00 0.00 O ATOM 575 CB TRP A 41 -4.213 5.173 -4.858 1.00 0.00 C ATOM 576 CG TRP A 41 -4.901 4.758 -3.592 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.222 4.451 -3.440 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.300 4.608 -2.301 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.480 4.119 -2.132 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.318 4.206 -1.413 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.003 4.771 -1.809 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.075 3.968 -0.063 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.764 4.535 -0.468 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.796 4.136 0.392 1.00 0.00 C ATOM 0 H TRP A 41 -3.680 7.516 -3.217 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.852 6.901 -6.083 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.709 4.698 -5.705 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.187 4.806 -4.842 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.957 4.467 -4.232 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.390 3.851 -1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.201 5.076 -2.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.869 3.661 0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.765 4.660 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.577 3.958 1.434 1.00 0.00 H new ATOM 595 N GLN A 42 -6.554 6.675 -5.655 1.00 0.00 N ATOM 596 CA GLN A 42 -7.941 7.120 -5.598 1.00 0.00 C ATOM 597 C GLN A 42 -8.897 5.944 -5.772 1.00 0.00 C ATOM 598 O GLN A 42 -8.525 4.878 -6.262 1.00 0.00 O ATOM 599 CB GLN A 42 -8.206 8.172 -6.676 1.00 0.00 C ATOM 600 CG GLN A 42 -7.950 9.597 -6.212 1.00 0.00 C ATOM 601 CD GLN A 42 -8.776 10.615 -6.972 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.330 11.168 -7.978 1.00 0.00 O ATOM 603 NE2 GLN A 42 -9.989 10.870 -6.495 1.00 0.00 N ATOM 0 H GLN A 42 -6.385 5.902 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.114 7.564 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.576 7.961 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.241 8.087 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.174 9.674 -5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.892 9.830 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.319 10.389 -5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.590 11.547 -6.965 1.00 0.00 H new ATOM 612 N PRO A 43 -10.159 6.141 -5.361 1.00 0.00 N ATOM 613 CA PRO A 43 -11.194 5.108 -5.462 1.00 0.00 C ATOM 614 C PRO A 43 -11.603 4.835 -6.905 1.00 0.00 C ATOM 615 O PRO A 43 -11.513 5.702 -7.775 1.00 0.00 O ATOM 616 CB PRO A 43 -12.366 5.703 -4.677 1.00 0.00 C ATOM 617 CG PRO A 43 -12.161 7.177 -4.749 1.00 0.00 C ATOM 618 CD PRO A 43 -10.672 7.387 -4.767 1.00 0.00 C ATOM 0 HA PRO A 43 -10.850 4.147 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.322 5.415 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.369 5.354 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.625 7.592 -5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.615 7.677 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.396 8.259 -5.361 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.277 7.547 -3.764 1.00 0.00 H new ATOM 626 N PRO A 44 -12.064 3.604 -7.168 1.00 0.00 N ATOM 627 CA PRO A 44 -12.497 3.189 -8.506 1.00 0.00 C ATOM 628 C PRO A 44 -13.792 3.871 -8.933 1.00 0.00 C ATOM 629 O PRO A 44 -14.723 4.009 -8.140 1.00 0.00 O ATOM 630 CB PRO A 44 -12.710 1.681 -8.358 1.00 0.00 C ATOM 631 CG PRO A 44 -12.999 1.479 -6.911 1.00 0.00 C ATOM 632 CD PRO A 44 -12.198 2.521 -6.179 1.00 0.00 C ATOM 0 HA PRO A 44 -11.769 3.457 -9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.537 1.335 -8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.825 1.124 -8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.064 1.591 -6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.717 0.475 -6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.708 2.861 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.226 2.137 -5.869 1.00 0.00 H new ATOM 640 N SER A 45 -13.844 4.295 -10.192 1.00 0.00 N ATOM 641 CA SER A 45 -15.025 4.966 -10.724 1.00 0.00 C ATOM 642 C SER A 45 -16.293 4.196 -10.369 1.00 0.00 C ATOM 643 O SER A 45 -17.346 4.788 -10.134 1.00 0.00 O ATOM 644 CB SER A 45 -14.913 5.115 -12.242 1.00 0.00 C ATOM 645 OG SER A 45 -14.201 6.290 -12.588 1.00 0.00 O ATOM 0 H SER A 45 -13.083 4.186 -10.862 1.00 0.00 H new ATOM 0 HA SER A 45 -15.084 5.956 -10.273 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.408 4.244 -12.660 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.910 5.147 -12.682 1.00 0.00 H new ATOM 0 HG SER A 45 -14.142 6.361 -13.564 1.00 0.00 H new ATOM 651 N GLU A 46 -16.183 2.872 -10.333 1.00 0.00 N ATOM 652 CA GLU A 46 -17.321 2.020 -10.008 1.00 0.00 C ATOM 653 C GLU A 46 -17.467 1.859 -8.497 1.00 0.00 C ATOM 654 O GLU A 46 -16.955 0.906 -7.911 1.00 0.00 O ATOM 655 CB GLU A 46 -17.163 0.647 -10.665 1.00 0.00 C ATOM 656 CG GLU A 46 -17.190 0.692 -12.183 1.00 0.00 C ATOM 657 CD GLU A 46 -18.597 0.785 -12.740 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.516 0.202 -12.127 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.779 1.440 -13.787 1.00 0.00 O ATOM 0 H GLU A 46 -15.318 2.366 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.221 2.498 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.222 0.204 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.961 -0.008 -10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.610 1.548 -12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.706 -0.201 -12.578 1.00 0.00 H new ATOM 666 N ALA A 47 -18.169 2.800 -7.873 1.00 0.00 N ATOM 667 CA ALA A 47 -18.384 2.762 -6.432 1.00 0.00 C ATOM 668 C ALA A 47 -19.765 2.208 -6.097 1.00 0.00 C ATOM 669 O ALA A 47 -20.626 2.926 -5.590 1.00 0.00 O ATOM 670 CB ALA A 47 -18.213 4.152 -5.837 1.00 0.00 C ATOM 0 H ALA A 47 -18.598 3.597 -8.343 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.639 2.097 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.376 4.109 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.204 4.512 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.936 4.832 -6.287 1.00 0.00 H new ATOM 676 N ASN A 48 -19.968 0.926 -6.383 1.00 0.00 N ATOM 677 CA ASN A 48 -21.245 0.276 -6.113 1.00 0.00 C ATOM 678 C ASN A 48 -21.401 -0.020 -4.625 1.00 0.00 C ATOM 679 O ASN A 48 -21.741 -1.136 -4.235 1.00 0.00 O ATOM 680 CB ASN A 48 -21.361 -1.021 -6.917 1.00 0.00 C ATOM 681 CG ASN A 48 -20.772 -0.893 -8.308 1.00 0.00 C ATOM 682 OD1 ASN A 48 -21.199 -0.054 -9.101 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.785 -1.729 -8.612 1.00 0.00 N ATOM 0 H ASN A 48 -19.265 0.317 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.041 0.956 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.853 -1.823 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.411 -1.305 -6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.350 -1.691 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.462 -2.409 -7.924 1.00 0.00 H new ATOM 690 N GLY A 49 -21.150 0.990 -3.797 1.00 0.00 N ATOM 691 CA GLY A 49 -21.268 0.819 -2.361 1.00 0.00 C ATOM 692 C GLY A 49 -20.418 1.807 -1.587 1.00 0.00 C ATOM 693 O GLY A 49 -19.682 2.600 -2.176 1.00 0.00 O ATOM 0 H GLY A 49 -20.867 1.923 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.312 0.936 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.974 -0.196 -2.094 1.00 0.00 H new ATOM 697 N LYS A 50 -20.520 1.763 -0.263 1.00 0.00 N ATOM 698 CA LYS A 50 -19.755 2.662 0.594 1.00 0.00 C ATOM 699 C LYS A 50 -18.407 2.049 0.959 1.00 0.00 C ATOM 700 O LYS A 50 -18.345 0.995 1.593 1.00 0.00 O ATOM 701 CB LYS A 50 -20.544 2.981 1.866 1.00 0.00 C ATOM 702 CG LYS A 50 -20.157 4.303 2.506 1.00 0.00 C ATOM 703 CD LYS A 50 -20.984 5.452 1.954 1.00 0.00 C ATOM 704 CE LYS A 50 -20.575 5.801 0.532 1.00 0.00 C ATOM 705 NZ LYS A 50 -21.344 5.016 -0.474 1.00 0.00 N ATOM 0 H LYS A 50 -21.125 1.114 0.240 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.577 3.586 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.608 2.999 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.392 2.179 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.295 4.240 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.099 4.498 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.040 5.184 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.865 6.327 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.732 6.866 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.509 5.611 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.691 4.626 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.844 4.238 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.035 5.636 -0.943 1.00 0.00 H new ATOM 719 N ILE A 51 -17.330 2.717 0.557 1.00 0.00 N ATOM 720 CA ILE A 51 -15.984 2.238 0.845 1.00 0.00 C ATOM 721 C ILE A 51 -15.689 2.294 2.340 1.00 0.00 C ATOM 722 O ILE A 51 -15.824 3.342 2.973 1.00 0.00 O ATOM 723 CB ILE A 51 -14.921 3.061 0.093 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.271 3.147 -1.394 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.543 2.446 0.283 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.234 1.811 -2.103 1.00 0.00 C ATOM 0 H ILE A 51 -17.364 3.591 0.031 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.938 1.203 0.506 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.906 4.071 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.267 3.578 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.575 3.828 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.803 3.039 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.295 2.431 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.543 1.427 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.493 1.949 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.233 1.387 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.950 1.133 -1.639 1.00 0.00 H new ATOM 738 N THR A 52 -15.283 1.159 2.901 1.00 0.00 N ATOM 739 CA THR A 52 -14.968 1.078 4.321 1.00 0.00 C ATOM 740 C THR A 52 -13.477 1.285 4.566 1.00 0.00 C ATOM 741 O THR A 52 -13.076 1.804 5.607 1.00 0.00 O ATOM 742 CB THR A 52 -15.390 -0.280 4.914 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.930 -1.345 4.075 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.902 -0.360 5.061 1.00 0.00 C ATOM 0 H THR A 52 -15.165 0.283 2.392 1.00 0.00 H new ATOM 0 HA THR A 52 -15.529 1.872 4.815 1.00 0.00 H new ATOM 0 HB THR A 52 -14.939 -0.376 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.058 -2.201 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.176 -1.328 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.246 0.434 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.369 -0.244 4.083 1.00 0.00 H new ATOM 752 N GLY A 53 -12.661 0.877 3.600 1.00 0.00 N ATOM 753 CA GLY A 53 -11.223 1.028 3.730 1.00 0.00 C ATOM 754 C GLY A 53 -10.476 0.545 2.503 1.00 0.00 C ATOM 755 O GLY A 53 -11.079 0.296 1.458 1.00 0.00 O ATOM 0 H GLY A 53 -12.969 0.444 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.985 2.077 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.880 0.472 4.603 1.00 0.00 H new ATOM 759 N TYR A 54 -9.160 0.414 2.627 1.00 0.00 N ATOM 760 CA TYR A 54 -8.329 -0.039 1.518 1.00 0.00 C ATOM 761 C TYR A 54 -7.113 -0.808 2.027 1.00 0.00 C ATOM 762 O TYR A 54 -6.619 -0.553 3.125 1.00 0.00 O ATOM 763 CB TYR A 54 -7.875 1.153 0.674 1.00 0.00 C ATOM 764 CG TYR A 54 -8.916 2.244 0.558 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.350 2.940 1.680 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.465 2.579 -0.674 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.301 3.936 1.578 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.415 3.576 -0.785 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.830 4.251 0.344 1.00 0.00 C ATOM 770 OH TYR A 54 -11.777 5.244 0.239 1.00 0.00 O ATOM 0 H TYR A 54 -8.646 0.615 3.485 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.927 -0.708 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.968 1.572 1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.615 0.802 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.937 2.698 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.144 2.051 -1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.629 4.466 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.830 3.825 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.046 5.342 -0.698 1.00 0.00 H new ATOM 780 N ILE A 55 -6.637 -1.750 1.219 1.00 0.00 N ATOM 781 CA ILE A 55 -5.479 -2.555 1.585 1.00 0.00 C ATOM 782 C ILE A 55 -4.376 -2.439 0.539 1.00 0.00 C ATOM 783 O ILE A 55 -4.648 -2.382 -0.661 1.00 0.00 O ATOM 784 CB ILE A 55 -5.856 -4.039 1.755 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.928 -4.195 2.836 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.624 -4.862 2.100 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.606 -5.547 2.823 1.00 0.00 C ATOM 0 H ILE A 55 -7.036 -1.974 0.307 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.115 -2.170 2.537 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.262 -4.406 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.473 -4.035 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.681 -3.418 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.906 -5.908 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.890 -4.772 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.191 -4.497 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.354 -5.587 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.090 -5.702 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.863 -6.328 2.985 1.00 0.00 H new ATOM 799 N ILE A 56 -3.131 -2.407 1.001 1.00 0.00 N ATOM 800 CA ILE A 56 -1.986 -2.301 0.105 1.00 0.00 C ATOM 801 C ILE A 56 -1.037 -3.482 0.283 1.00 0.00 C ATOM 802 O ILE A 56 -0.752 -3.899 1.406 1.00 0.00 O ATOM 803 CB ILE A 56 -1.208 -0.993 0.338 1.00 0.00 C ATOM 804 CG1 ILE A 56 -2.085 0.215 -0.001 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.066 -0.979 -0.494 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.692 1.474 0.740 1.00 0.00 C ATOM 0 H ILE A 56 -2.889 -2.453 1.991 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.380 -2.304 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.932 -0.934 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.032 0.403 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.123 -0.024 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.605 -0.048 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.696 -1.822 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.189 -1.057 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.356 2.289 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.772 1.304 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.664 1.737 0.490 1.00 0.00 H new ATOM 818 N TYR A 57 -0.551 -4.016 -0.832 1.00 0.00 N ATOM 819 CA TYR A 57 0.366 -5.149 -0.800 1.00 0.00 C ATOM 820 C TYR A 57 1.683 -4.804 -1.488 1.00 0.00 C ATOM 821 O TYR A 57 1.696 -4.305 -2.614 1.00 0.00 O ATOM 822 CB TYR A 57 -0.271 -6.366 -1.473 1.00 0.00 C ATOM 823 CG TYR A 57 -1.736 -6.544 -1.142 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.703 -5.737 -1.729 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.152 -7.517 -0.242 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.043 -5.895 -1.429 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.489 -7.683 0.063 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.431 -6.870 -0.533 1.00 0.00 C ATOM 829 OH TYR A 57 -5.764 -7.031 -0.231 1.00 0.00 O ATOM 0 H TYR A 57 -0.777 -3.682 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 57 0.574 -5.386 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.160 -6.273 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.272 -7.262 -1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.403 -4.974 -2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.417 -8.155 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.782 -5.259 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.795 -8.445 0.764 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.867 -7.760 0.415 1.00 0.00 H new ATOM 839 N TYR A 58 2.789 -5.075 -0.804 1.00 0.00 N ATOM 840 CA TYR A 58 4.112 -4.793 -1.348 1.00 0.00 C ATOM 841 C TYR A 58 5.111 -5.869 -0.935 1.00 0.00 C ATOM 842 O TYR A 58 4.975 -6.486 0.121 1.00 0.00 O ATOM 843 CB TYR A 58 4.598 -3.421 -0.876 1.00 0.00 C ATOM 844 CG TYR A 58 5.071 -3.408 0.560 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.250 -4.044 0.930 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.340 -2.758 1.547 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.685 -4.035 2.241 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.768 -2.742 2.860 1.00 0.00 C ATOM 849 CZ TYR A 58 5.941 -3.383 3.203 1.00 0.00 C ATOM 850 OH TYR A 58 6.372 -3.370 4.509 1.00 0.00 O ATOM 0 H TYR A 58 2.796 -5.490 0.128 1.00 0.00 H new ATOM 0 HA TYR A 58 4.038 -4.790 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.412 -3.092 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.789 -2.699 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.836 -4.554 0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.421 -2.256 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.603 -4.536 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.188 -2.231 3.614 1.00 0.00 H new ATOM 0 HH TYR A 58 5.735 -2.868 5.059 1.00 0.00 H new ATOM 860 N SER A 59 6.117 -6.087 -1.776 1.00 0.00 N ATOM 861 CA SER A 59 7.139 -7.091 -1.502 1.00 0.00 C ATOM 862 C SER A 59 8.246 -7.039 -2.550 1.00 0.00 C ATOM 863 O SER A 59 8.067 -6.482 -3.634 1.00 0.00 O ATOM 864 CB SER A 59 6.516 -8.488 -1.469 1.00 0.00 C ATOM 865 OG SER A 59 7.395 -9.424 -0.868 1.00 0.00 O ATOM 0 H SER A 59 6.246 -5.582 -2.653 1.00 0.00 H new ATOM 0 HA SER A 59 7.575 -6.873 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.578 -8.458 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.278 -8.808 -2.484 1.00 0.00 H new ATOM 0 HG SER A 59 6.973 -10.309 -0.857 1.00 0.00 H new ATOM 871 N THR A 60 9.393 -7.625 -2.220 1.00 0.00 N ATOM 872 CA THR A 60 10.531 -7.646 -3.131 1.00 0.00 C ATOM 873 C THR A 60 10.401 -8.775 -4.147 1.00 0.00 C ATOM 874 O THR A 60 11.351 -9.521 -4.384 1.00 0.00 O ATOM 875 CB THR A 60 11.859 -7.807 -2.368 1.00 0.00 C ATOM 876 OG1 THR A 60 11.897 -9.081 -1.714 1.00 0.00 O ATOM 877 CG2 THR A 60 12.030 -6.699 -1.340 1.00 0.00 C ATOM 0 H THR A 60 9.558 -8.092 -1.328 1.00 0.00 H new ATOM 0 HA THR A 60 10.535 -6.689 -3.654 1.00 0.00 H new ATOM 0 HB THR A 60 12.676 -7.743 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.880 -9.794 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.975 -6.834 -0.814 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.030 -5.732 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.208 -6.736 -0.625 1.00 0.00 H new ATOM 885 N ASP A 61 9.220 -8.895 -4.744 1.00 0.00 N ATOM 886 CA ASP A 61 8.967 -9.934 -5.736 1.00 0.00 C ATOM 887 C ASP A 61 7.683 -9.647 -6.507 1.00 0.00 C ATOM 888 O ASP A 61 6.675 -9.241 -5.927 1.00 0.00 O ATOM 889 CB ASP A 61 8.876 -11.303 -5.061 1.00 0.00 C ATOM 890 CG ASP A 61 10.228 -11.977 -4.933 1.00 0.00 C ATOM 891 OD1 ASP A 61 10.744 -12.469 -5.958 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.770 -12.013 -3.809 1.00 0.00 O ATOM 0 H ASP A 61 8.423 -8.286 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 61 9.799 -9.940 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.436 -11.188 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.207 -11.944 -5.635 1.00 0.00 H new ATOM 897 N VAL A 62 7.726 -9.858 -7.819 1.00 0.00 N ATOM 898 CA VAL A 62 6.566 -9.623 -8.670 1.00 0.00 C ATOM 899 C VAL A 62 5.808 -10.918 -8.937 1.00 0.00 C ATOM 900 O VAL A 62 4.620 -10.900 -9.255 1.00 0.00 O ATOM 901 CB VAL A 62 6.975 -8.993 -10.015 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.708 -10.009 -10.878 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.755 -8.446 -10.740 1.00 0.00 C ATOM 0 H VAL A 62 8.552 -10.191 -8.315 1.00 0.00 H new ATOM 0 HA VAL A 62 5.917 -8.930 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 62 7.653 -8.163 -9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.989 -9.547 -11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.604 -10.348 -10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.056 -10.861 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.063 -8.005 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.050 -9.256 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.277 -7.685 -10.124 1.00 0.00 H new ATOM 913 N ASN A 63 6.504 -12.043 -8.806 1.00 0.00 N ATOM 914 CA ASN A 63 5.897 -13.349 -9.033 1.00 0.00 C ATOM 915 C ASN A 63 5.487 -13.995 -7.713 1.00 0.00 C ATOM 916 O ASN A 63 4.747 -14.978 -7.696 1.00 0.00 O ATOM 917 CB ASN A 63 6.869 -14.263 -9.781 1.00 0.00 C ATOM 918 CG ASN A 63 7.213 -13.736 -11.161 1.00 0.00 C ATOM 919 OD1 ASN A 63 6.328 -13.424 -11.957 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.506 -13.634 -11.449 1.00 0.00 N ATOM 0 H ASN A 63 7.489 -12.076 -8.544 1.00 0.00 H new ATOM 0 HA ASN A 63 5.003 -13.206 -9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.784 -14.371 -9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.431 -15.257 -9.873 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.799 -13.285 -12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.205 -13.905 -10.758 1.00 0.00 H new ATOM 927 N ALA A 64 5.972 -13.435 -6.610 1.00 0.00 N ATOM 928 CA ALA A 64 5.655 -13.955 -5.286 1.00 0.00 C ATOM 929 C ALA A 64 4.147 -14.071 -5.089 1.00 0.00 C ATOM 930 O ALA A 64 3.401 -13.136 -5.378 1.00 0.00 O ATOM 931 CB ALA A 64 6.262 -13.066 -4.211 1.00 0.00 C ATOM 0 H ALA A 64 6.586 -12.621 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 64 6.084 -14.953 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.017 -13.466 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.345 -13.037 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.859 -12.057 -4.303 1.00 0.00 H new ATOM 937 N GLU A 65 3.706 -15.225 -4.597 1.00 0.00 N ATOM 938 CA GLU A 65 2.287 -15.462 -4.364 1.00 0.00 C ATOM 939 C GLU A 65 1.646 -14.275 -3.651 1.00 0.00 C ATOM 940 O GLU A 65 2.201 -13.742 -2.689 1.00 0.00 O ATOM 941 CB GLU A 65 2.089 -16.735 -3.537 1.00 0.00 C ATOM 942 CG GLU A 65 2.059 -18.004 -4.372 1.00 0.00 C ATOM 943 CD GLU A 65 3.439 -18.593 -4.589 1.00 0.00 C ATOM 944 OE1 GLU A 65 4.272 -17.930 -5.241 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.687 -19.717 -4.104 1.00 0.00 O ATOM 0 H GLU A 65 4.311 -16.009 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 65 1.802 -15.587 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.892 -16.811 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.156 -16.655 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.426 -18.743 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.604 -17.788 -5.339 1.00 0.00 H new ATOM 952 N ILE A 66 0.476 -13.866 -4.130 1.00 0.00 N ATOM 953 CA ILE A 66 -0.240 -12.742 -3.538 1.00 0.00 C ATOM 954 C ILE A 66 -0.176 -12.790 -2.016 1.00 0.00 C ATOM 955 O ILE A 66 -0.008 -11.763 -1.358 1.00 0.00 O ATOM 956 CB ILE A 66 -1.716 -12.721 -3.979 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.381 -11.413 -3.544 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.458 -13.917 -3.402 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.666 -10.177 -4.041 1.00 0.00 C ATOM 0 H ILE A 66 0.004 -14.296 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 66 0.249 -11.834 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.757 -12.784 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.409 -11.399 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.427 -11.383 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.499 -13.888 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.995 -14.838 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.412 -13.883 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.193 -9.288 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.646 -10.167 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.643 -10.184 -5.131 1.00 0.00 H new ATOM 971 N HIS A 67 -0.310 -13.991 -1.461 1.00 0.00 N ATOM 972 CA HIS A 67 -0.265 -14.173 -0.014 1.00 0.00 C ATOM 973 C HIS A 67 1.094 -13.762 0.544 1.00 0.00 C ATOM 974 O HIS A 67 1.182 -13.186 1.628 1.00 0.00 O ATOM 975 CB HIS A 67 -0.558 -15.630 0.346 1.00 0.00 C ATOM 976 CG HIS A 67 0.652 -16.512 0.308 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.841 -16.411 0.947 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 0.726 -17.655 -0.460 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 2.603 -17.485 0.559 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 1.908 -18.220 -0.290 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.450 -14.851 -1.991 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.028 -13.535 0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.994 -15.668 1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.305 -16.023 -0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.059 -18.030 -1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.608 -17.695 0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.229 -19.078 -0.738 1.00 0.00 H new ATOM 989 N ASP A 68 2.150 -14.063 -0.204 1.00 0.00 N ATOM 990 CA ASP A 68 3.505 -13.725 0.216 1.00 0.00 C ATOM 991 C ASP A 68 3.652 -12.219 0.415 1.00 0.00 C ATOM 992 O ASP A 68 4.471 -11.767 1.215 1.00 0.00 O ATOM 993 CB ASP A 68 4.520 -14.217 -0.818 1.00 0.00 C ATOM 994 CG ASP A 68 5.951 -13.950 -0.396 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.210 -13.896 0.825 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.813 -13.796 -1.287 1.00 0.00 O ATOM 0 H ASP A 68 2.094 -14.540 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 68 3.699 -14.220 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.384 -15.287 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.328 -13.727 -1.773 1.00 0.00 H new ATOM 1001 N TRP A 69 2.856 -11.450 -0.319 1.00 0.00 N ATOM 1002 CA TRP A 69 2.899 -9.996 -0.223 1.00 0.00 C ATOM 1003 C TRP A 69 2.324 -9.520 1.106 1.00 0.00 C ATOM 1004 O TRP A 69 1.245 -9.949 1.516 1.00 0.00 O ATOM 1005 CB TRP A 69 2.125 -9.365 -1.383 1.00 0.00 C ATOM 1006 CG TRP A 69 2.753 -9.614 -2.721 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.186 -10.812 -3.213 1.00 0.00 C ATOM 1008 CD2 TRP A 69 3.020 -8.641 -3.736 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.705 -10.642 -4.474 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.614 -9.320 -4.818 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.812 -7.263 -3.839 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 4.003 -8.666 -5.984 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.199 -6.615 -4.996 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.788 -7.316 -6.057 1.00 0.00 C ATOM 0 H TRP A 69 2.174 -11.809 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 69 3.942 -9.684 -0.278 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.108 -9.758 -1.388 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.051 -8.290 -1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.129 -11.754 -2.688 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.095 -11.381 -5.059 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.357 -6.714 -3.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.458 -9.205 -6.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.045 -5.550 -5.084 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.078 -6.781 -6.949 1.00 0.00 H new ATOM 1025 N VAL A 70 3.050 -8.631 1.776 1.00 0.00 N ATOM 1026 CA VAL A 70 2.611 -8.096 3.060 1.00 0.00 C ATOM 1027 C VAL A 70 1.250 -7.420 2.936 1.00 0.00 C ATOM 1028 O VAL A 70 0.907 -6.881 1.884 1.00 0.00 O ATOM 1029 CB VAL A 70 3.626 -7.084 3.623 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.472 -5.735 2.936 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.462 -6.947 5.129 1.00 0.00 C ATOM 0 H VAL A 70 3.945 -8.266 1.451 1.00 0.00 H new ATOM 0 HA VAL A 70 2.533 -8.940 3.745 1.00 0.00 H new ATOM 0 HB VAL A 70 4.632 -7.454 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.197 -5.033 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.644 -5.850 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.464 -5.355 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.187 -6.228 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.454 -6.600 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.627 -7.915 5.603 1.00 0.00 H new ATOM 1041 N ILE A 71 0.480 -7.452 4.018 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.843 -6.840 4.032 1.00 0.00 C ATOM 1043 C ILE A 71 -0.841 -5.542 4.832 1.00 0.00 C ATOM 1044 O ILE A 71 -0.750 -5.558 6.059 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.898 -7.793 4.625 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.069 -9.021 3.728 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.225 -7.071 4.801 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.818 -10.155 4.392 1.00 0.00 C ATOM 0 H ILE A 71 0.749 -7.895 4.896 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.101 -6.624 2.995 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.555 -8.126 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.599 -8.728 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.085 -9.377 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.960 -7.758 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.092 -6.225 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.575 -6.712 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.902 -10.991 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.278 -10.475 5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.815 -9.817 4.674 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.943 -4.419 4.128 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.953 -3.111 4.773 1.00 0.00 C ATOM 1062 C GLU A 72 -2.350 -2.498 4.738 1.00 0.00 C ATOM 1063 O GLU A 72 -2.685 -1.704 3.859 1.00 0.00 O ATOM 1064 CB GLU A 72 0.045 -2.173 4.091 1.00 0.00 C ATOM 1065 CG GLU A 72 1.440 -2.229 4.691 1.00 0.00 C ATOM 1066 CD GLU A 72 1.428 -2.142 6.205 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.243 -1.026 6.733 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.604 -3.190 6.861 1.00 0.00 O ATOM 0 H GLU A 72 -1.020 -4.389 3.111 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.660 -3.246 5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.103 -2.426 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.328 -1.151 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.925 -3.157 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.038 -1.411 4.289 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.187 -2.876 5.716 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.561 -2.377 5.819 1.00 0.00 C ATOM 1077 C PRO A 73 -4.614 -0.903 6.209 1.00 0.00 C ATOM 1078 O PRO A 73 -3.899 -0.463 7.109 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.172 -3.244 6.923 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.010 -3.680 7.748 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.855 -3.820 6.796 1.00 0.00 C ATOM 0 HA PRO A 73 -5.090 -2.439 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.890 -2.680 7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.705 -4.099 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.788 -2.950 8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.220 -4.625 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.908 -3.568 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.762 -4.840 6.424 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.466 -0.146 5.526 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.614 1.278 5.803 1.00 0.00 C ATOM 1091 C VAL A 74 -6.926 1.565 6.525 1.00 0.00 C ATOM 1092 O VAL A 74 -8.007 1.394 5.962 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.561 2.110 4.507 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.699 3.593 4.818 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.271 1.833 3.749 1.00 0.00 C ATOM 0 H VAL A 74 -6.064 -0.495 4.777 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.780 1.564 6.444 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.398 1.817 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.659 4.164 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.652 3.773 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.884 3.905 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.250 2.429 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.418 2.097 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.220 0.775 3.493 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.823 2.003 7.775 1.00 0.00 N ATOM 1106 CA VAL A 75 -8.001 2.316 8.575 1.00 0.00 C ATOM 1107 C VAL A 75 -8.685 3.583 8.075 1.00 0.00 C ATOM 1108 O VAL A 75 -8.056 4.432 7.444 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.640 2.494 10.062 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -7.107 1.192 10.641 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.628 3.616 10.233 1.00 0.00 C ATOM 0 H VAL A 75 -5.936 2.149 8.256 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.684 1.473 8.473 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.544 2.764 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.857 1.337 11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.867 0.416 10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.214 0.889 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.384 3.728 11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.723 3.378 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.051 4.548 9.857 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.977 3.705 8.361 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.726 4.873 7.933 1.00 0.00 C ATOM 1123 C GLY A 76 -10.708 5.052 6.428 1.00 0.00 C ATOM 1124 O GLY A 76 -10.052 4.296 5.713 1.00 0.00 O ATOM 0 H GLY A 76 -10.519 3.016 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.758 4.784 8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.310 5.762 8.407 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.434 6.056 5.945 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.501 6.331 4.514 1.00 0.00 C ATOM 1130 C ASN A 77 -10.279 7.120 4.054 1.00 0.00 C ATOM 1131 O ASN A 77 -10.352 8.332 3.849 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.777 7.106 4.183 1.00 0.00 C ATOM 1133 CG ASN A 77 -14.033 6.327 4.524 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -13.993 5.375 5.304 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -15.155 6.727 3.939 1.00 0.00 N ATOM 0 H ASN A 77 -11.984 6.692 6.523 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.515 5.378 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.778 8.049 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.783 7.353 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.031 6.240 4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.141 7.521 3.299 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.158 6.425 3.894 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.920 7.061 3.459 1.00 0.00 C ATOM 1144 C ARG A 78 -7.520 6.577 2.068 1.00 0.00 C ATOM 1145 O ARG A 78 -7.799 5.437 1.692 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.795 6.770 4.454 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.761 7.880 4.546 1.00 0.00 C ATOM 1148 CD ARG A 78 -6.132 8.900 5.612 1.00 0.00 C ATOM 1149 NE ARG A 78 -5.113 9.937 5.754 1.00 0.00 N ATOM 1150 CZ ARG A 78 -5.186 10.921 6.644 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -6.222 11.000 7.467 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -4.219 11.827 6.713 1.00 0.00 N ATOM 0 H ARG A 78 -9.081 5.421 4.059 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.089 8.137 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.228 6.605 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.297 5.844 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.785 7.452 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.672 8.377 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.086 9.361 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.269 8.393 6.567 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.302 9.904 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.966 10.304 7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.275 11.757 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.419 11.768 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.275 12.582 7.396 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.867 7.450 1.309 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.429 7.112 -0.041 1.00 0.00 C ATOM 1168 C LEU A 79 -4.909 7.168 -0.150 1.00 0.00 C ATOM 1169 O LEU A 79 -4.346 6.995 -1.232 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.061 8.066 -1.057 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.588 8.050 -1.133 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.088 9.152 -2.054 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.085 6.692 -1.606 1.00 0.00 C ATOM 0 H LEU A 79 -6.629 8.397 1.605 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.753 6.094 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.740 9.081 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.666 7.827 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.984 8.232 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.177 9.125 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.763 10.120 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.683 9.002 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.174 6.700 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.680 6.481 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.758 5.921 -0.908 1.00 0.00 H new ATOM 1185 N THR A 80 -4.248 7.410 0.978 1.00 0.00 N ATOM 1186 CA THR A 80 -2.793 7.488 1.009 1.00 0.00 C ATOM 1187 C THR A 80 -2.230 6.762 2.226 1.00 0.00 C ATOM 1188 O THR A 80 -2.848 6.742 3.291 1.00 0.00 O ATOM 1189 CB THR A 80 -2.309 8.950 1.029 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.937 9.006 1.433 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.156 9.787 1.976 1.00 0.00 C ATOM 0 H THR A 80 -4.698 7.555 1.882 1.00 0.00 H new ATOM 0 HA THR A 80 -2.431 7.006 0.101 1.00 0.00 H new ATOM 0 HB THR A 80 -2.408 9.356 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.636 9.939 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.796 10.816 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.196 9.766 1.649 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.084 9.380 2.985 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.053 6.166 2.061 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.406 5.439 3.147 1.00 0.00 C ATOM 1201 C HIS A 81 1.076 5.795 3.232 1.00 0.00 C ATOM 1202 O HIS A 81 1.683 6.201 2.241 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.570 3.932 2.950 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.312 3.134 4.190 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.821 3.476 5.425 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.406 2.002 4.381 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.427 2.590 6.322 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.319 1.685 5.715 1.00 0.00 N ATOM 0 H HIS A 81 -0.529 6.172 1.186 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.886 5.729 4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.582 3.728 2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.111 3.600 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.946 1.451 3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.673 2.603 7.373 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.759 0.881 6.164 1.00 0.00 H new ATOM 1217 N GLN A 82 1.649 5.640 4.421 1.00 0.00 N ATOM 1218 CA GLN A 82 3.059 5.947 4.634 1.00 0.00 C ATOM 1219 C GLN A 82 3.816 4.717 5.123 1.00 0.00 C ATOM 1220 O GLN A 82 3.572 4.223 6.224 1.00 0.00 O ATOM 1221 CB GLN A 82 3.208 7.086 5.643 1.00 0.00 C ATOM 1222 CG GLN A 82 3.208 8.467 5.007 1.00 0.00 C ATOM 1223 CD GLN A 82 3.096 9.581 6.029 1.00 0.00 C ATOM 1224 OE1 GLN A 82 2.861 9.332 7.212 1.00 0.00 O ATOM 1225 NE2 GLN A 82 3.264 10.818 5.578 1.00 0.00 N ATOM 0 H GLN A 82 1.160 5.304 5.251 1.00 0.00 H new ATOM 0 HA GLN A 82 3.485 6.258 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.394 7.028 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.137 6.950 6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.125 8.598 4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.378 8.539 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.457 10.979 4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.200 11.608 6.220 1.00 0.00 H new ATOM 1234 N ILE A 83 4.734 4.226 4.297 1.00 0.00 N ATOM 1235 CA ILE A 83 5.527 3.054 4.646 1.00 0.00 C ATOM 1236 C ILE A 83 6.989 3.425 4.869 1.00 0.00 C ATOM 1237 O ILE A 83 7.530 4.293 4.185 1.00 0.00 O ATOM 1238 CB ILE A 83 5.445 1.972 3.553 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.984 1.662 3.220 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.171 0.712 3.998 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.810 0.857 1.951 1.00 0.00 C ATOM 0 H ILE A 83 4.947 4.622 3.381 1.00 0.00 H new ATOM 0 HA ILE A 83 5.110 2.656 5.571 1.00 0.00 H new ATOM 0 HB ILE A 83 5.931 2.349 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.539 1.115 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.435 2.599 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.104 -0.043 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.219 0.944 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.712 0.330 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.749 0.675 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.225 1.411 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.330 -0.096 2.050 1.00 0.00 H new ATOM 1253 N GLN A 84 7.623 2.760 5.830 1.00 0.00 N ATOM 1254 CA GLN A 84 9.023 3.020 6.142 1.00 0.00 C ATOM 1255 C GLN A 84 9.797 1.716 6.301 1.00 0.00 C ATOM 1256 O GLN A 84 9.259 0.633 6.070 1.00 0.00 O ATOM 1257 CB GLN A 84 9.137 3.854 7.420 1.00 0.00 C ATOM 1258 CG GLN A 84 8.013 4.863 7.590 1.00 0.00 C ATOM 1259 CD GLN A 84 8.328 5.918 8.632 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.471 6.356 8.762 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.313 6.332 9.382 1.00 0.00 N ATOM 0 H GLN A 84 7.189 2.038 6.405 1.00 0.00 H new ATOM 0 HA GLN A 84 9.456 3.579 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.147 3.185 8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.091 4.382 7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.819 5.349 6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.100 4.340 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.381 5.942 9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.465 7.040 10.100 1.00 0.00 H new ATOM 1270 N GLU A 85 11.061 1.827 6.697 1.00 0.00 N ATOM 1271 CA GLU A 85 11.908 0.656 6.886 1.00 0.00 C ATOM 1272 C GLU A 85 12.124 -0.078 5.565 1.00 0.00 C ATOM 1273 O GLU A 85 12.218 -1.306 5.532 1.00 0.00 O ATOM 1274 CB GLU A 85 11.284 -0.292 7.912 1.00 0.00 C ATOM 1275 CG GLU A 85 11.729 -0.022 9.340 1.00 0.00 C ATOM 1276 CD GLU A 85 11.350 -1.141 10.291 1.00 0.00 C ATOM 1277 OE1 GLU A 85 12.005 -2.204 10.246 1.00 0.00 O ATOM 1278 OE2 GLU A 85 10.400 -0.954 11.079 1.00 0.00 O ATOM 0 H GLU A 85 11.521 2.716 6.893 1.00 0.00 H new ATOM 0 HA GLU A 85 12.875 0.995 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.198 -0.210 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.540 -1.318 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.810 0.116 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.282 0.910 9.686 1.00 0.00 H new ATOM 1285 N LEU A 86 12.201 0.683 4.479 1.00 0.00 N ATOM 1286 CA LEU A 86 12.405 0.106 3.154 1.00 0.00 C ATOM 1287 C LEU A 86 13.818 0.385 2.651 1.00 0.00 C ATOM 1288 O LEU A 86 14.358 1.472 2.855 1.00 0.00 O ATOM 1289 CB LEU A 86 11.380 0.669 2.168 1.00 0.00 C ATOM 1290 CG LEU A 86 9.930 0.233 2.385 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.010 0.925 1.392 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.804 -1.279 2.268 1.00 0.00 C ATOM 0 H LEU A 86 12.125 1.700 4.489 1.00 0.00 H new ATOM 0 HA LEU A 86 12.272 -0.973 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.422 1.757 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.678 0.380 1.160 1.00 0.00 H new ATOM 0 HG LEU A 86 9.630 0.525 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.983 0.602 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.078 2.005 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.309 0.665 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.766 -1.571 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.123 -1.595 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.433 -1.756 3.020 1.00 0.00 H new ATOM 1304 N THR A 87 14.411 -0.605 1.991 1.00 0.00 N ATOM 1305 CA THR A 87 15.760 -0.466 1.457 1.00 0.00 C ATOM 1306 C THR A 87 15.812 0.593 0.362 1.00 0.00 C ATOM 1307 O THR A 87 14.777 1.077 -0.097 1.00 0.00 O ATOM 1308 CB THR A 87 16.280 -1.801 0.890 1.00 0.00 C ATOM 1309 OG1 THR A 87 17.694 -1.901 1.091 1.00 0.00 O ATOM 1310 CG2 THR A 87 15.964 -1.917 -0.594 1.00 0.00 C ATOM 0 H THR A 87 13.978 -1.511 1.814 1.00 0.00 H new ATOM 0 HA THR A 87 16.398 -0.159 2.286 1.00 0.00 H new ATOM 0 HB THR A 87 15.781 -2.614 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.016 -2.753 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.340 -2.867 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 87 14.885 -1.869 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.440 -1.098 -1.133 1.00 0.00 H new ATOM 1318 N LEU A 88 17.023 0.950 -0.052 1.00 0.00 N ATOM 1319 CA LEU A 88 17.210 1.952 -1.095 1.00 0.00 C ATOM 1320 C LEU A 88 17.603 1.298 -2.416 1.00 0.00 C ATOM 1321 O LEU A 88 17.877 0.099 -2.468 1.00 0.00 O ATOM 1322 CB LEU A 88 18.281 2.961 -0.674 1.00 0.00 C ATOM 1323 CG LEU A 88 18.096 3.601 0.702 1.00 0.00 C ATOM 1324 CD1 LEU A 88 19.370 4.308 1.138 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.924 4.572 0.685 1.00 0.00 C ATOM 0 H LEU A 88 17.890 0.560 0.319 1.00 0.00 H new ATOM 0 HA LEU A 88 16.263 2.473 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.250 2.462 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.317 3.755 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 88 17.878 2.812 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 88 19.219 4.757 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.186 3.588 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.619 5.087 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.807 5.018 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.112 5.357 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 88 16.012 4.037 0.418 1.00 0.00 H new ATOM 1337 N ASP A 89 17.631 2.093 -3.479 1.00 0.00 N ATOM 1338 CA ASP A 89 17.994 1.592 -4.800 1.00 0.00 C ATOM 1339 C ASP A 89 17.549 0.144 -4.973 1.00 0.00 C ATOM 1340 O ASP A 89 18.351 -0.729 -5.305 1.00 0.00 O ATOM 1341 CB ASP A 89 19.504 1.704 -5.013 1.00 0.00 C ATOM 1342 CG ASP A 89 19.937 1.185 -6.371 1.00 0.00 C ATOM 1343 OD1 ASP A 89 19.475 1.737 -7.392 1.00 0.00 O ATOM 1344 OD2 ASP A 89 20.737 0.228 -6.412 1.00 0.00 O ATOM 0 H ASP A 89 17.407 3.088 -3.452 1.00 0.00 H new ATOM 0 HA ASP A 89 17.483 2.201 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.806 2.747 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.021 1.146 -4.232 1.00 0.00 H new ATOM 1349 N THR A 90 16.263 -0.106 -4.743 1.00 0.00 N ATOM 1350 CA THR A 90 15.711 -1.449 -4.871 1.00 0.00 C ATOM 1351 C THR A 90 14.323 -1.415 -5.501 1.00 0.00 C ATOM 1352 O THR A 90 13.458 -0.630 -5.113 1.00 0.00 O ATOM 1353 CB THR A 90 15.625 -2.154 -3.504 1.00 0.00 C ATOM 1354 OG1 THR A 90 16.923 -2.609 -3.106 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.664 -3.332 -3.562 1.00 0.00 C ATOM 0 H THR A 90 15.585 0.604 -4.467 1.00 0.00 H new ATOM 0 HA THR A 90 16.387 -2.008 -5.518 1.00 0.00 H new ATOM 0 HB THR A 90 15.251 -1.437 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.479 -1.840 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.620 -3.814 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.671 -2.978 -3.837 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.012 -4.049 -4.305 1.00 0.00 H new ATOM 1363 N PRO A 91 14.103 -2.287 -6.496 1.00 0.00 N ATOM 1364 CA PRO A 91 12.820 -2.377 -7.200 1.00 0.00 C ATOM 1365 C PRO A 91 11.715 -2.952 -6.320 1.00 0.00 C ATOM 1366 O PRO A 91 11.745 -4.128 -5.957 1.00 0.00 O ATOM 1367 CB PRO A 91 13.120 -3.322 -8.366 1.00 0.00 C ATOM 1368 CG PRO A 91 14.268 -4.148 -7.897 1.00 0.00 C ATOM 1369 CD PRO A 91 15.088 -3.253 -7.010 1.00 0.00 C ATOM 0 HA PRO A 91 12.456 -1.397 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.257 -3.943 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.374 -2.768 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.920 -5.025 -7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.858 -4.510 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.562 -3.812 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.885 -2.758 -7.565 1.00 0.00 H new ATOM 1377 N TYR A 92 10.740 -2.115 -5.981 1.00 0.00 N ATOM 1378 CA TYR A 92 9.626 -2.540 -5.141 1.00 0.00 C ATOM 1379 C TYR A 92 8.306 -2.445 -5.900 1.00 0.00 C ATOM 1380 O TYR A 92 8.086 -1.512 -6.672 1.00 0.00 O ATOM 1381 CB TYR A 92 9.561 -1.687 -3.874 1.00 0.00 C ATOM 1382 CG TYR A 92 10.345 -2.262 -2.716 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.716 -2.062 -2.611 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.714 -3.006 -1.726 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.436 -2.587 -1.555 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.426 -3.533 -0.665 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.787 -3.321 -0.585 1.00 0.00 C ATOM 1388 OH TYR A 92 12.500 -3.844 0.469 1.00 0.00 O ATOM 0 H TYR A 92 10.699 -1.139 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 92 9.790 -3.581 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.939 -0.689 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.519 -1.574 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.228 -1.486 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.649 -3.175 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.502 -2.423 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.920 -4.107 0.097 1.00 0.00 H new ATOM 0 HH TYR A 92 11.894 -4.333 1.064 1.00 0.00 H new ATOM 1398 N TYR A 93 7.430 -3.418 -5.673 1.00 0.00 N ATOM 1399 CA TYR A 93 6.131 -3.447 -6.335 1.00 0.00 C ATOM 1400 C TYR A 93 5.003 -3.239 -5.330 1.00 0.00 C ATOM 1401 O TYR A 93 4.901 -3.957 -4.335 1.00 0.00 O ATOM 1402 CB TYR A 93 5.939 -4.775 -7.068 1.00 0.00 C ATOM 1403 CG TYR A 93 7.183 -5.264 -7.773 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.140 -6.012 -7.098 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.402 -4.978 -9.115 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.279 -6.460 -7.739 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.538 -5.423 -9.764 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.473 -6.163 -9.072 1.00 0.00 C ATOM 1409 OH TYR A 93 10.606 -6.609 -9.714 1.00 0.00 O ATOM 0 H TYR A 93 7.596 -4.197 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 93 6.102 -2.633 -7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.616 -5.531 -6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.138 -4.664 -7.798 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.991 -6.247 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.672 -4.398 -9.660 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.013 -7.040 -7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.693 -5.192 -10.808 1.00 0.00 H new ATOM 0 HH TYR A 93 10.589 -6.316 -10.649 1.00 0.00 H new ATOM 1419 N PHE A 94 4.156 -2.250 -5.597 1.00 0.00 N ATOM 1420 CA PHE A 94 3.033 -1.946 -4.717 1.00 0.00 C ATOM 1421 C PHE A 94 1.708 -2.302 -5.384 1.00 0.00 C ATOM 1422 O PHE A 94 1.575 -2.234 -6.606 1.00 0.00 O ATOM 1423 CB PHE A 94 3.044 -0.464 -4.336 1.00 0.00 C ATOM 1424 CG PHE A 94 4.275 -0.048 -3.583 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.462 0.200 -4.253 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.245 0.095 -2.205 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.596 0.584 -3.563 1.00 0.00 C ATOM 1428 CE2 PHE A 94 5.376 0.479 -1.510 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.553 0.723 -2.189 1.00 0.00 C ATOM 0 H PHE A 94 4.226 -1.645 -6.416 1.00 0.00 H new ATOM 0 HA PHE A 94 3.137 -2.547 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.962 0.136 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.165 -0.247 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.501 0.092 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.327 -0.096 -1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.515 0.775 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.339 0.588 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.438 1.022 -1.647 1.00 0.00 H new ATOM 1439 N LYS A 95 0.728 -2.684 -4.571 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.589 -3.050 -5.079 1.00 0.00 C ATOM 1441 C LYS A 95 -1.692 -2.413 -4.241 1.00 0.00 C ATOM 1442 O LYS A 95 -1.626 -2.408 -3.012 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.751 -4.572 -5.083 1.00 0.00 C ATOM 1444 CG LYS A 95 -0.168 -5.243 -6.314 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.159 -6.756 -6.173 1.00 0.00 C ATOM 1446 CE LYS A 95 0.200 -7.436 -7.485 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.333 -8.911 -7.327 1.00 0.00 N ATOM 0 H LYS A 95 0.821 -2.748 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.673 -2.679 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.271 -4.982 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.811 -4.816 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.749 -4.962 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.849 -4.886 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.557 -7.046 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.140 -7.097 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.567 -7.218 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.136 -7.025 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.578 -9.338 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.082 -9.120 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.568 -9.307 -6.991 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.705 -1.877 -4.914 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.824 -1.240 -4.231 1.00 0.00 C ATOM 1463 C ILE A 96 -5.129 -1.980 -4.503 1.00 0.00 C ATOM 1464 O ILE A 96 -5.271 -2.651 -5.525 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.981 0.231 -4.660 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.664 0.985 -4.468 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.099 0.896 -3.871 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.527 2.199 -5.361 1.00 0.00 C ATOM 0 H ILE A 96 -2.774 -1.871 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.605 -1.278 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.242 0.260 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.583 1.298 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.834 0.306 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.198 1.935 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.036 0.371 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.865 0.859 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.570 2.684 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.576 1.890 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.336 2.898 -5.151 1.00 0.00 H new ATOM 1480 N GLN A 97 -6.079 -1.851 -3.583 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.373 -2.507 -3.725 1.00 0.00 C ATOM 1482 C GLN A 97 -8.417 -1.854 -2.824 1.00 0.00 C ATOM 1483 O GLN A 97 -8.115 -1.448 -1.703 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.254 -3.995 -3.391 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.495 -4.799 -3.741 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.247 -6.295 -3.722 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -7.838 -6.881 -4.724 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.495 -6.921 -2.577 1.00 0.00 N ATOM 0 H GLN A 97 -5.977 -1.298 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.694 -2.399 -4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.399 -4.411 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.049 -4.104 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.290 -4.558 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.846 -4.505 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.833 -6.395 -1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.347 -7.928 -2.504 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.644 -1.757 -3.324 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.732 -1.155 -2.564 1.00 0.00 C ATOM 1499 C ALA A 98 -11.637 -2.223 -1.960 1.00 0.00 C ATOM 1500 O ALA A 98 -12.068 -3.147 -2.650 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.539 -0.216 -3.450 1.00 0.00 C ATOM 0 H ALA A 98 -9.909 -2.087 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.296 -0.581 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.348 0.226 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.890 0.574 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.957 -0.775 -4.287 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.921 -2.091 -0.668 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.773 -3.046 0.029 1.00 0.00 C ATOM 1509 C ARG A 99 -13.858 -2.327 0.825 1.00 0.00 C ATOM 1510 O ARG A 99 -13.611 -1.284 1.428 1.00 0.00 O ATOM 1511 CB ARG A 99 -11.936 -3.922 0.962 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.554 -3.235 2.263 1.00 0.00 C ATOM 1513 CD ARG A 99 -10.698 -4.136 3.139 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.727 -3.725 4.540 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.157 -2.614 4.992 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -9.518 -1.807 4.158 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -10.227 -2.308 6.282 1.00 0.00 N ATOM 0 H ARG A 99 -11.573 -1.331 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.254 -3.678 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.493 -4.830 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.028 -4.228 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.011 -2.316 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.456 -2.951 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.051 -5.164 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.670 -4.121 2.778 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.212 -4.324 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.463 -2.038 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.081 -0.954 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.719 -2.926 6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.789 -1.454 6.628 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.060 -2.894 0.823 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.183 -2.306 1.544 1.00 0.00 C ATOM 1533 C ASN A 100 -16.697 -3.259 2.620 1.00 0.00 C ATOM 1534 O ASN A 100 -16.200 -4.376 2.763 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.314 -1.958 0.574 1.00 0.00 C ATOM 1536 CG ASN A 100 -16.799 -1.370 -0.726 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -15.591 -1.249 -0.930 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -17.717 -1.001 -1.612 1.00 0.00 N ATOM 0 H ASN A 100 -15.281 -3.759 0.330 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.834 -1.393 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -17.894 -2.855 0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.990 -1.247 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.431 -0.599 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.708 -1.120 -1.400 1.00 0.00 H new ATOM 1545 N SER A 101 -17.694 -2.808 3.374 1.00 0.00 N ATOM 1546 CA SER A 101 -18.274 -3.619 4.439 1.00 0.00 C ATOM 1547 C SER A 101 -18.531 -5.044 3.959 1.00 0.00 C ATOM 1548 O SER A 101 -18.357 -6.005 4.708 1.00 0.00 O ATOM 1549 CB SER A 101 -19.578 -2.991 4.934 1.00 0.00 C ATOM 1550 OG SER A 101 -20.010 -3.597 6.140 1.00 0.00 O ATOM 0 H SER A 101 -18.117 -1.886 3.268 1.00 0.00 H new ATOM 0 HA SER A 101 -17.562 -3.656 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.434 -1.922 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.350 -3.099 4.172 1.00 0.00 H new ATOM 0 HG SER A 101 -20.844 -3.177 6.437 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.947 -5.172 2.704 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.228 -6.478 2.120 1.00 0.00 C ATOM 1558 C LYS A 102 -17.967 -7.335 2.071 1.00 0.00 C ATOM 1559 O LYS A 102 -17.822 -8.288 2.836 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.804 -6.317 0.711 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.319 -6.223 0.680 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.822 -5.045 1.498 1.00 0.00 C ATOM 1563 CE LYS A 102 -23.216 -5.303 2.049 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.175 -6.089 3.314 1.00 0.00 N ATOM 0 H LYS A 102 -19.097 -4.386 2.071 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.962 -6.979 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.383 -5.420 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.488 -7.163 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.657 -6.122 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.750 -7.146 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.134 -4.852 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.835 -4.149 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.718 -4.352 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.807 -5.840 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -24.144 -6.244 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.719 -7.007 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.633 -5.565 4.031 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.056 -6.988 1.167 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.819 -7.735 1.036 1.00 0.00 C ATOM 1580 C GLY A 103 -14.736 -6.943 0.330 1.00 0.00 C ATOM 1581 O GLY A 103 -14.669 -5.721 0.456 1.00 0.00 O ATOM 0 H GLY A 103 -17.153 -6.203 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.466 -8.025 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.010 -8.655 0.484 1.00 0.00 H new ATOM 1585 N MET A 104 -13.884 -7.642 -0.414 1.00 0.00 N ATOM 1586 CA MET A 104 -12.799 -6.996 -1.142 1.00 0.00 C ATOM 1587 C MET A 104 -12.959 -7.195 -2.646 1.00 0.00 C ATOM 1588 O MET A 104 -13.651 -8.110 -3.090 1.00 0.00 O ATOM 1589 CB MET A 104 -11.448 -7.550 -0.683 1.00 0.00 C ATOM 1590 CG MET A 104 -11.275 -7.556 0.827 1.00 0.00 C ATOM 1591 SD MET A 104 -9.557 -7.772 1.329 1.00 0.00 S ATOM 1592 CE MET A 104 -9.468 -9.554 1.476 1.00 0.00 C ATOM 0 H MET A 104 -13.925 -8.655 -0.528 1.00 0.00 H new ATOM 0 HA MET A 104 -12.837 -5.928 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.336 -8.568 -1.057 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.650 -6.956 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.654 -6.619 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.878 -8.357 1.255 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.463 -9.844 1.781 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.186 -9.894 2.222 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.701 -10.011 0.514 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.313 -6.333 -3.425 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.398 -6.431 -4.870 1.00 0.00 C ATOM 1604 C GLY A 105 -11.138 -7.005 -5.487 1.00 0.00 C ATOM 1605 O GLY A 105 -10.272 -7.543 -4.796 1.00 0.00 O ATOM 0 H GLY A 105 -11.732 -5.568 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.249 -7.057 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.585 -5.442 -5.288 1.00 0.00 H new ATOM 1609 N PRO A 106 -11.023 -6.895 -6.819 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.863 -7.402 -7.558 1.00 0.00 C ATOM 1611 C PRO A 106 -8.600 -6.592 -7.283 1.00 0.00 C ATOM 1612 O PRO A 106 -8.668 -5.393 -7.016 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.284 -7.256 -9.022 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.291 -6.159 -9.019 1.00 0.00 C ATOM 1615 CD PRO A 106 -12.015 -6.265 -7.705 1.00 0.00 C ATOM 0 HA PRO A 106 -9.612 -8.424 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.432 -7.010 -9.656 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.710 -8.183 -9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.809 -5.187 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.983 -6.262 -9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.321 -5.287 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.918 -6.869 -7.791 1.00 0.00 H new ATOM 1623 N MET A 107 -7.451 -7.255 -7.351 1.00 0.00 N ATOM 1624 CA MET A 107 -6.173 -6.595 -7.111 1.00 0.00 C ATOM 1625 C MET A 107 -5.693 -5.869 -8.363 1.00 0.00 C ATOM 1626 O MET A 107 -5.777 -6.399 -9.471 1.00 0.00 O ATOM 1627 CB MET A 107 -5.123 -7.615 -6.665 1.00 0.00 C ATOM 1628 CG MET A 107 -5.538 -8.420 -5.444 1.00 0.00 C ATOM 1629 SD MET A 107 -5.224 -7.546 -3.898 1.00 0.00 S ATOM 1630 CE MET A 107 -5.393 -8.881 -2.715 1.00 0.00 C ATOM 0 H MET A 107 -7.378 -8.249 -7.570 1.00 0.00 H new ATOM 0 HA MET A 107 -6.315 -5.861 -6.318 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.920 -8.299 -7.489 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.191 -7.093 -6.447 1.00 0.00 H new ATOM 0 HG2 MET A 107 -6.599 -8.658 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 107 -4.999 -9.367 -5.438 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.184 -8.640 -2.005 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.645 -9.802 -3.240 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.453 -9.014 -2.180 1.00 0.00 H new ATOM 1640 N SER A 108 -5.190 -4.652 -8.180 1.00 0.00 N ATOM 1641 CA SER A 108 -4.701 -3.851 -9.296 1.00 0.00 C ATOM 1642 C SER A 108 -3.387 -4.412 -9.832 1.00 0.00 C ATOM 1643 O SER A 108 -2.815 -5.337 -9.257 1.00 0.00 O ATOM 1644 CB SER A 108 -4.508 -2.397 -8.862 1.00 0.00 C ATOM 1645 OG SER A 108 -3.255 -2.217 -8.224 1.00 0.00 O ATOM 0 H SER A 108 -5.111 -4.199 -7.269 1.00 0.00 H new ATOM 0 HA SER A 108 -5.445 -3.889 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.574 -1.743 -9.731 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.310 -2.107 -8.183 1.00 0.00 H new ATOM 0 HG SER A 108 -3.155 -1.279 -7.958 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.916 -3.845 -10.939 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.671 -4.289 -11.553 1.00 0.00 C ATOM 1653 C GLU A 109 -0.466 -3.817 -10.744 1.00 0.00 C ATOM 1654 O GLU A 109 -0.384 -2.653 -10.354 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.570 -3.767 -12.988 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.485 -2.253 -13.081 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.835 -1.732 -14.461 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -3.037 -1.710 -14.801 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -0.907 -1.346 -15.202 1.00 0.00 O ATOM 0 H GLU A 109 -3.378 -3.078 -11.428 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.672 -5.379 -11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.690 -4.202 -13.463 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.438 -4.109 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.159 -1.809 -12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.476 -1.933 -12.821 1.00 0.00 H new ATOM 1666 N ALA A 110 0.465 -4.732 -10.494 1.00 0.00 N ATOM 1667 CA ALA A 110 1.666 -4.410 -9.732 1.00 0.00 C ATOM 1668 C ALA A 110 2.247 -3.068 -10.163 1.00 0.00 C ATOM 1669 O ALA A 110 2.267 -2.741 -11.350 1.00 0.00 O ATOM 1670 CB ALA A 110 2.703 -5.512 -9.892 1.00 0.00 C ATOM 0 H ALA A 110 0.411 -5.701 -10.808 1.00 0.00 H new ATOM 0 HA ALA A 110 1.390 -4.335 -8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.594 -5.259 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.292 -6.454 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.966 -5.614 -10.945 1.00 0.00 H new ATOM 1676 N VAL A 111 2.719 -2.293 -9.192 1.00 0.00 N ATOM 1677 CA VAL A 111 3.301 -0.986 -9.472 1.00 0.00 C ATOM 1678 C VAL A 111 4.785 -0.959 -9.124 1.00 0.00 C ATOM 1679 O VAL A 111 5.157 -0.856 -7.956 1.00 0.00 O ATOM 1680 CB VAL A 111 2.582 0.128 -8.688 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.261 1.469 -8.920 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.113 0.191 -9.078 1.00 0.00 C ATOM 0 H VAL A 111 2.710 -2.548 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 111 3.178 -0.807 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 111 2.643 -0.104 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.739 2.243 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.297 1.415 -8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.234 1.711 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.621 0.983 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.028 0.398 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.636 -0.763 -8.855 1.00 0.00 H new ATOM 1692 N GLN A 112 5.628 -1.053 -10.147 1.00 0.00 N ATOM 1693 CA GLN A 112 7.073 -1.040 -9.950 1.00 0.00 C ATOM 1694 C GLN A 112 7.571 0.374 -9.666 1.00 0.00 C ATOM 1695 O GLN A 112 7.375 1.285 -10.471 1.00 0.00 O ATOM 1696 CB GLN A 112 7.783 -1.606 -11.181 1.00 0.00 C ATOM 1697 CG GLN A 112 9.277 -1.805 -10.984 1.00 0.00 C ATOM 1698 CD GLN A 112 9.903 -2.643 -12.082 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.202 -3.240 -12.900 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.230 -2.691 -12.105 1.00 0.00 N ATOM 0 H GLN A 112 5.336 -1.139 -11.120 1.00 0.00 H new ATOM 0 HA GLN A 112 7.302 -1.667 -9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.329 -2.561 -11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.622 -0.934 -12.024 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.768 -0.832 -10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.452 -2.285 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.771 -2.180 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.708 -3.238 -12.821 1.00 0.00 H new ATOM 1709 N PHE A 113 8.215 0.549 -8.518 1.00 0.00 N ATOM 1710 CA PHE A 113 8.740 1.853 -8.127 1.00 0.00 C ATOM 1711 C PHE A 113 10.097 1.710 -7.443 1.00 0.00 C ATOM 1712 O PHE A 113 10.206 1.100 -6.379 1.00 0.00 O ATOM 1713 CB PHE A 113 7.758 2.563 -7.194 1.00 0.00 C ATOM 1714 CG PHE A 113 8.362 3.727 -6.461 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.009 3.539 -5.250 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.282 5.008 -6.982 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.567 4.608 -4.573 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.838 6.080 -6.310 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.480 5.880 -5.104 1.00 0.00 C ATOM 0 H PHE A 113 8.386 -0.195 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 113 8.869 2.450 -9.029 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.905 2.913 -7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.376 1.846 -6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.078 2.546 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.779 5.171 -7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.070 4.448 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.770 7.074 -6.728 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.913 6.717 -4.577 1.00 0.00 H new ATOM 1729 N ARG A 114 11.127 2.276 -8.062 1.00 0.00 N ATOM 1730 CA ARG A 114 12.477 2.211 -7.514 1.00 0.00 C ATOM 1731 C ARG A 114 12.631 3.164 -6.333 1.00 0.00 C ATOM 1732 O ARG A 114 12.338 4.355 -6.439 1.00 0.00 O ATOM 1733 CB ARG A 114 13.505 2.551 -8.595 1.00 0.00 C ATOM 1734 CG ARG A 114 14.865 1.911 -8.364 1.00 0.00 C ATOM 1735 CD ARG A 114 15.755 2.038 -9.590 1.00 0.00 C ATOM 1736 NE ARG A 114 15.960 3.431 -9.976 1.00 0.00 N ATOM 1737 CZ ARG A 114 16.377 3.806 -11.181 1.00 0.00 C ATOM 1738 NH1 ARG A 114 16.632 2.897 -12.111 1.00 0.00 N ATOM 1739 NH2 ARG A 114 16.539 5.094 -11.456 1.00 0.00 N ATOM 0 H ARG A 114 11.053 2.785 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 114 12.651 1.194 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.121 2.230 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.625 3.633 -8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.350 2.383 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.735 0.858 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.720 1.572 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.307 1.494 -10.421 1.00 0.00 H new ATOM 0 HE ARG A 114 15.773 4.156 -9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.508 1.906 -11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 114 16.952 3.188 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.344 5.796 -10.743 1.00 0.00 H new ATOM 0 HH22 ARG A 114 16.859 5.382 -12.381 1.00 0.00 H new ATOM 1753 N THR A 115 13.092 2.631 -5.205 1.00 0.00 N ATOM 1754 CA THR A 115 13.283 3.432 -4.003 1.00 0.00 C ATOM 1755 C THR A 115 14.274 4.564 -4.249 1.00 0.00 C ATOM 1756 O THR A 115 15.171 4.465 -5.087 1.00 0.00 O ATOM 1757 CB THR A 115 13.785 2.572 -2.828 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.674 1.557 -3.309 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.620 1.926 -2.094 1.00 0.00 C ATOM 0 H THR A 115 13.340 1.647 -5.100 1.00 0.00 H new ATOM 0 HA THR A 115 12.311 3.853 -3.746 1.00 0.00 H new ATOM 0 HB THR A 115 14.317 3.221 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.864 0.920 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.999 1.324 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.960 2.701 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.064 1.289 -2.782 1.00 0.00 H new ATOM 1767 N PRO A 116 14.112 5.667 -3.503 1.00 0.00 N ATOM 1768 CA PRO A 116 14.984 6.839 -3.621 1.00 0.00 C ATOM 1769 C PRO A 116 16.390 6.571 -3.095 1.00 0.00 C ATOM 1770 O PRO A 116 16.787 5.420 -2.911 1.00 0.00 O ATOM 1771 CB PRO A 116 14.282 7.892 -2.761 1.00 0.00 C ATOM 1772 CG PRO A 116 13.491 7.107 -1.772 1.00 0.00 C ATOM 1773 CD PRO A 116 13.064 5.854 -2.485 1.00 0.00 C ATOM 0 HA PRO A 116 15.123 7.141 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.002 8.542 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.638 8.531 -3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.090 6.871 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.626 7.673 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.008 5.004 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.079 5.965 -2.938 1.00 0.00 H new ATOM 1781 N LYS A 117 17.140 7.640 -2.852 1.00 0.00 N ATOM 1782 CA LYS A 117 18.501 7.522 -2.344 1.00 0.00 C ATOM 1783 C LYS A 117 18.758 8.534 -1.232 1.00 0.00 C ATOM 1784 O LYS A 117 18.099 9.571 -1.160 1.00 0.00 O ATOM 1785 CB LYS A 117 19.510 7.727 -3.477 1.00 0.00 C ATOM 1786 CG LYS A 117 19.439 6.659 -4.555 1.00 0.00 C ATOM 1787 CD LYS A 117 20.429 5.536 -4.293 1.00 0.00 C ATOM 1788 CE LYS A 117 19.993 4.670 -3.121 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.494 5.201 -1.823 1.00 0.00 N ATOM 0 H LYS A 117 16.827 8.600 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 117 18.622 6.520 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.339 8.703 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.516 7.742 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.429 6.252 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 117 19.645 7.107 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.526 4.919 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.413 5.958 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 117 18.905 4.615 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.360 3.654 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.028 4.459 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.115 6.017 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 19.689 5.499 -1.236 1.00 0.00 H new ATOM 1803 N ALA A 118 19.719 8.226 -0.368 1.00 0.00 N ATOM 1804 CA ALA A 118 20.064 9.111 0.738 1.00 0.00 C ATOM 1805 C ALA A 118 20.901 10.291 0.256 1.00 0.00 C ATOM 1806 O ALA A 118 21.967 10.573 0.804 1.00 0.00 O ATOM 1807 CB ALA A 118 20.808 8.340 1.818 1.00 0.00 C ATOM 0 H ALA A 118 20.273 7.370 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 118 19.139 9.504 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.059 9.013 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.176 7.534 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.723 7.920 1.400 1.00 0.00 H new ATOM 1813 N SER A 119 20.412 10.977 -0.772 1.00 0.00 N ATOM 1814 CA SER A 119 21.118 12.125 -1.330 1.00 0.00 C ATOM 1815 C SER A 119 20.149 13.263 -1.634 1.00 0.00 C ATOM 1816 O SER A 119 19.285 13.143 -2.502 1.00 0.00 O ATOM 1817 CB SER A 119 21.864 11.721 -2.604 1.00 0.00 C ATOM 1818 OG SER A 119 22.920 10.822 -2.313 1.00 0.00 O ATOM 0 H SER A 119 19.530 10.758 -1.235 1.00 0.00 H new ATOM 0 HA SER A 119 21.839 12.473 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.169 11.257 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.263 12.610 -3.093 1.00 0.00 H new ATOM 0 HG SER A 119 23.380 10.578 -3.143 1.00 0.00 H new ATOM 1824 N GLY A 120 20.300 14.369 -0.912 1.00 0.00 N ATOM 1825 CA GLY A 120 19.432 15.514 -1.118 1.00 0.00 C ATOM 1826 C GLY A 120 20.196 16.823 -1.146 1.00 0.00 C ATOM 1827 O GLY A 120 20.023 17.686 -0.285 1.00 0.00 O ATOM 0 H GLY A 120 21.008 14.493 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 120 18.892 15.392 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 120 18.687 15.549 -0.323 1.00 0.00 H new ATOM 1831 N PRO A 121 21.065 16.984 -2.156 1.00 0.00 N ATOM 1832 CA PRO A 121 21.876 18.194 -2.316 1.00 0.00 C ATOM 1833 C PRO A 121 21.039 19.405 -2.714 1.00 0.00 C ATOM 1834 O PRO A 121 19.828 19.298 -2.908 1.00 0.00 O ATOM 1835 CB PRO A 121 22.847 17.823 -3.440 1.00 0.00 C ATOM 1836 CG PRO A 121 22.143 16.765 -4.216 1.00 0.00 C ATOM 1837 CD PRO A 121 21.321 15.997 -3.218 1.00 0.00 C ATOM 0 HA PRO A 121 22.367 18.481 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 121 23.077 18.686 -4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 121 23.793 17.458 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.510 17.203 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 121 22.855 16.112 -4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 121 20.394 15.631 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 121 21.859 15.128 -2.838 1.00 0.00 H new ATOM 1845 N SER A 122 21.692 20.556 -2.835 1.00 0.00 N ATOM 1846 CA SER A 122 21.006 21.788 -3.207 1.00 0.00 C ATOM 1847 C SER A 122 20.078 21.556 -4.396 1.00 0.00 C ATOM 1848 O SER A 122 20.423 20.840 -5.336 1.00 0.00 O ATOM 1849 CB SER A 122 22.023 22.881 -3.545 1.00 0.00 C ATOM 1850 OG SER A 122 22.769 23.254 -2.400 1.00 0.00 O ATOM 0 H SER A 122 22.695 20.661 -2.681 1.00 0.00 H new ATOM 0 HA SER A 122 20.405 22.111 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 122 22.698 22.526 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 122 21.505 23.753 -3.946 1.00 0.00 H new ATOM 0 HG SER A 122 23.413 23.952 -2.642 1.00 0.00 H new ATOM 1856 N SER A 123 18.899 22.168 -4.347 1.00 0.00 N ATOM 1857 CA SER A 123 17.919 22.026 -5.417 1.00 0.00 C ATOM 1858 C SER A 123 18.029 23.178 -6.411 1.00 0.00 C ATOM 1859 O SER A 123 18.306 22.970 -7.591 1.00 0.00 O ATOM 1860 CB SER A 123 16.504 21.971 -4.837 1.00 0.00 C ATOM 1861 OG SER A 123 15.595 21.405 -5.765 1.00 0.00 O ATOM 0 H SER A 123 18.599 22.767 -3.578 1.00 0.00 H new ATOM 0 HA SER A 123 18.125 21.094 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 123 16.506 21.382 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 123 16.178 22.976 -4.570 1.00 0.00 H new ATOM 0 HG SER A 123 14.698 21.379 -5.370 1.00 0.00 H new ATOM 1867 N GLY A 124 17.810 24.396 -5.923 1.00 0.00 N ATOM 1868 CA GLY A 124 17.888 25.564 -6.781 1.00 0.00 C ATOM 1869 C GLY A 124 18.993 26.514 -6.366 1.00 0.00 C ATOM 1870 O GLY A 124 19.116 27.610 -6.912 1.00 0.00 O ATOM 0 H GLY A 124 17.580 24.594 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.055 25.245 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.934 26.090 -6.761 1.00 0.00 H new TER 1874 GLY A 124