USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 67 THR OG1 : rot 99:sc= 1.52! USER MOD Set 1.2: A 70 SER OG : rot 148:sc= 1.57! USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 41:sc= 0.186 USER MOD Single : A 8 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 9 GLN : amide:sc=-0.00889 K(o=-0.0089,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -0.0467 K(o=-0.047,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.82) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 144:sc= -0.626 (180deg=-3.8!) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.716 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 162:sc= -4.1! (180deg=-6.01!) USER MOD Single : A 36 GLN : amide:sc= -0.352 K(o=-0.35,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.226 F(o=-0.92,f=-0.23) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -66:sc= -3.13! USER MOD Single : A 46 CYS SG : rot -110:sc= -1.63 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -169:sc= 0.82 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 56:sc= -3.08! USER MOD Single : A 63 MET CE :methyl 158:sc= -0.278 (180deg=-0.969) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 116:sc= 0.97 USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= -1.66 (180deg=-4.33!) USER MOD Single : A 80 GLN : amide:sc= -0.348 K(o=-0.35,f=-3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.076 -31.044 -15.836 1.00 0.00 N ATOM 2 CA GLY A 1 12.946 -30.261 -16.308 1.00 0.00 C ATOM 3 C GLY A 1 12.281 -30.930 -17.513 1.00 0.00 C ATOM 4 O GLY A 1 11.866 -32.085 -17.436 1.00 0.00 O ATOM 0 H1 GLY A 1 14.510 -30.570 -15.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.749 -31.990 -15.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.779 -31.133 -16.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.219 -30.145 -15.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.281 -29.261 -16.582 1.00 0.00 H new ATOM 8 N SER A 2 12.201 -30.174 -18.599 1.00 0.00 N ATOM 9 CA SER A 2 11.594 -30.679 -19.818 1.00 0.00 C ATOM 10 C SER A 2 10.077 -30.783 -19.643 1.00 0.00 C ATOM 11 O SER A 2 9.319 -30.153 -20.380 1.00 0.00 O ATOM 12 CB SER A 2 12.178 -32.040 -20.203 1.00 0.00 C ATOM 13 OG SER A 2 11.933 -32.359 -21.570 1.00 0.00 O ATOM 0 H SER A 2 12.546 -29.216 -18.659 1.00 0.00 H new ATOM 0 HA SER A 2 11.814 -29.979 -20.624 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.252 -32.039 -20.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.746 -32.813 -19.567 1.00 0.00 H new ATOM 0 HG SER A 2 12.323 -33.234 -21.777 1.00 0.00 H new ATOM 19 N SER A 3 9.680 -31.582 -18.664 1.00 0.00 N ATOM 20 CA SER A 3 8.268 -31.776 -18.383 1.00 0.00 C ATOM 21 C SER A 3 8.014 -31.668 -16.879 1.00 0.00 C ATOM 22 O SER A 3 8.411 -32.546 -16.114 1.00 0.00 O ATOM 23 CB SER A 3 7.783 -33.130 -18.908 1.00 0.00 C ATOM 24 OG SER A 3 6.365 -33.254 -18.835 1.00 0.00 O ATOM 0 H SER A 3 10.312 -32.103 -18.055 1.00 0.00 H new ATOM 0 HA SER A 3 7.707 -30.995 -18.896 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.105 -33.254 -19.942 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.247 -33.930 -18.331 1.00 0.00 H new ATOM 0 HG SER A 3 6.095 -34.130 -19.181 1.00 0.00 H new ATOM 30 N GLY A 4 7.353 -30.585 -16.498 1.00 0.00 N ATOM 31 CA GLY A 4 7.042 -30.351 -15.099 1.00 0.00 C ATOM 32 C GLY A 4 6.506 -28.933 -14.886 1.00 0.00 C ATOM 33 O GLY A 4 7.032 -27.975 -15.450 1.00 0.00 O ATOM 0 H GLY A 4 7.024 -29.859 -17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.303 -31.078 -14.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.936 -30.500 -14.494 1.00 0.00 H new ATOM 37 N SER A 5 5.465 -28.845 -14.071 1.00 0.00 N ATOM 38 CA SER A 5 4.852 -27.561 -13.776 1.00 0.00 C ATOM 39 C SER A 5 3.831 -27.715 -12.648 1.00 0.00 C ATOM 40 O SER A 5 2.688 -28.100 -12.888 1.00 0.00 O ATOM 41 CB SER A 5 4.183 -26.972 -15.020 1.00 0.00 C ATOM 42 OG SER A 5 4.121 -25.549 -14.970 1.00 0.00 O ATOM 0 H SER A 5 5.031 -29.642 -13.606 1.00 0.00 H new ATOM 0 HA SER A 5 5.635 -26.873 -13.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.735 -27.280 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.175 -27.376 -15.115 1.00 0.00 H new ATOM 0 HG SER A 5 3.689 -25.212 -15.782 1.00 0.00 H new ATOM 48 N SER A 6 4.280 -27.407 -11.440 1.00 0.00 N ATOM 49 CA SER A 6 3.420 -27.506 -10.273 1.00 0.00 C ATOM 50 C SER A 6 3.882 -26.522 -9.197 1.00 0.00 C ATOM 51 O SER A 6 4.960 -26.680 -8.627 1.00 0.00 O ATOM 52 CB SER A 6 3.407 -28.932 -9.718 1.00 0.00 C ATOM 53 OG SER A 6 4.723 -29.448 -9.542 1.00 0.00 O ATOM 0 H SER A 6 5.229 -27.089 -11.244 1.00 0.00 H new ATOM 0 HA SER A 6 2.404 -27.253 -10.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.882 -28.945 -8.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.851 -29.580 -10.396 1.00 0.00 H new ATOM 0 HG SER A 6 5.304 -28.747 -9.179 1.00 0.00 H new ATOM 59 N GLY A 7 3.042 -25.526 -8.951 1.00 0.00 N ATOM 60 CA GLY A 7 3.351 -24.516 -7.953 1.00 0.00 C ATOM 61 C GLY A 7 3.391 -25.126 -6.550 1.00 0.00 C ATOM 62 O GLY A 7 2.509 -25.898 -6.180 1.00 0.00 O ATOM 0 H GLY A 7 2.148 -25.397 -9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.313 -24.056 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.603 -23.724 -7.988 1.00 0.00 H new ATOM 66 N HIS A 8 4.425 -24.755 -5.808 1.00 0.00 N ATOM 67 CA HIS A 8 4.592 -25.256 -4.455 1.00 0.00 C ATOM 68 C HIS A 8 5.487 -24.302 -3.662 1.00 0.00 C ATOM 69 O HIS A 8 6.643 -24.616 -3.384 1.00 0.00 O ATOM 70 CB HIS A 8 5.120 -26.692 -4.468 1.00 0.00 C ATOM 71 CG HIS A 8 4.990 -27.406 -3.143 1.00 0.00 C ATOM 72 ND1 HIS A 8 5.065 -28.782 -3.023 1.00 0.00 N ATOM 73 CD2 HIS A 8 4.792 -26.920 -1.884 1.00 0.00 C ATOM 74 CE1 HIS A 8 4.916 -29.100 -1.746 1.00 0.00 C ATOM 75 NE2 HIS A 8 4.746 -27.944 -1.042 1.00 0.00 N ATOM 0 H HIS A 8 5.155 -24.114 -6.119 1.00 0.00 H new ATOM 0 HA HIS A 8 3.624 -25.292 -3.954 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.583 -27.259 -5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.170 -26.680 -4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.690 -25.878 -1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.927 -30.098 -1.335 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.606 -27.878 -0.034 1.00 0.00 H new ATOM 83 N GLN A 9 4.918 -23.155 -3.319 1.00 0.00 N ATOM 84 CA GLN A 9 5.650 -22.153 -2.563 1.00 0.00 C ATOM 85 C GLN A 9 5.232 -22.188 -1.091 1.00 0.00 C ATOM 86 O GLN A 9 4.067 -22.429 -0.779 1.00 0.00 O ATOM 87 CB GLN A 9 5.444 -20.759 -3.158 1.00 0.00 C ATOM 88 CG GLN A 9 3.988 -20.312 -3.019 1.00 0.00 C ATOM 89 CD GLN A 9 3.846 -18.812 -3.284 1.00 0.00 C ATOM 90 OE1 GLN A 9 4.801 -18.117 -3.590 1.00 0.00 O ATOM 91 NE2 GLN A 9 2.605 -18.354 -3.150 1.00 0.00 N ATOM 0 H GLN A 9 3.959 -22.898 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 9 6.713 -22.385 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.097 -20.045 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.728 -20.764 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.365 -20.869 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.627 -20.543 -2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.851 -18.991 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.407 -17.366 -3.306 1.00 0.00 H new ATOM 100 N GLN A 10 6.205 -21.943 -0.227 1.00 0.00 N ATOM 101 CA GLN A 10 5.953 -21.943 1.204 1.00 0.00 C ATOM 102 C GLN A 10 6.891 -20.961 1.909 1.00 0.00 C ATOM 103 O GLN A 10 8.075 -21.244 2.082 1.00 0.00 O ATOM 104 CB GLN A 10 6.096 -23.351 1.786 1.00 0.00 C ATOM 105 CG GLN A 10 4.870 -23.726 2.622 1.00 0.00 C ATOM 106 CD GLN A 10 5.018 -23.232 4.063 1.00 0.00 C ATOM 107 OE1 GLN A 10 6.014 -22.640 4.444 1.00 0.00 O ATOM 108 NE2 GLN A 10 3.974 -23.509 4.839 1.00 0.00 N ATOM 0 H GLN A 10 7.170 -21.743 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 10 4.926 -21.618 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.224 -24.071 0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.992 -23.404 2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.975 -23.294 2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.738 -24.808 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.172 -24.008 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.976 -23.222 5.818 1.00 0.00 H new ATOM 117 N GLN A 11 6.326 -19.827 2.296 1.00 0.00 N ATOM 118 CA GLN A 11 7.097 -18.802 2.978 1.00 0.00 C ATOM 119 C GLN A 11 6.668 -18.701 4.443 1.00 0.00 C ATOM 120 O GLN A 11 5.901 -19.532 4.928 1.00 0.00 O ATOM 121 CB GLN A 11 6.959 -17.451 2.272 1.00 0.00 C ATOM 122 CG GLN A 11 8.331 -16.860 1.945 1.00 0.00 C ATOM 123 CD GLN A 11 9.083 -17.740 0.944 1.00 0.00 C ATOM 124 OE1 GLN A 11 9.840 -18.626 1.304 1.00 0.00 O ATOM 125 NE2 GLN A 11 8.832 -17.447 -0.329 1.00 0.00 N ATOM 0 H GLN A 11 5.343 -19.596 2.150 1.00 0.00 H new ATOM 0 HA GLN A 11 8.149 -19.086 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.384 -17.574 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.404 -16.760 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.211 -15.857 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.916 -16.762 2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.187 -16.692 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.285 -17.978 -1.073 1.00 0.00 H new ATOM 134 N ARG A 12 7.180 -17.676 5.108 1.00 0.00 N ATOM 135 CA ARG A 12 6.860 -17.456 6.508 1.00 0.00 C ATOM 136 C ARG A 12 7.491 -16.151 6.998 1.00 0.00 C ATOM 137 O ARG A 12 8.105 -15.423 6.219 1.00 0.00 O ATOM 138 CB ARG A 12 7.358 -18.613 7.376 1.00 0.00 C ATOM 139 CG ARG A 12 8.881 -18.738 7.301 1.00 0.00 C ATOM 140 CD ARG A 12 9.293 -20.116 6.778 1.00 0.00 C ATOM 141 NE ARG A 12 10.697 -20.080 6.310 1.00 0.00 N ATOM 142 CZ ARG A 12 11.761 -20.100 7.124 1.00 0.00 C ATOM 143 NH1 ARG A 12 11.588 -20.155 8.452 1.00 0.00 N ATOM 144 NH2 ARG A 12 12.998 -20.065 6.611 1.00 0.00 N ATOM 0 H ARG A 12 7.815 -16.988 4.703 1.00 0.00 H new ATOM 0 HA ARG A 12 5.775 -17.394 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.053 -18.454 8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.896 -19.544 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.281 -17.963 6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.312 -18.576 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.182 -20.861 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.636 -20.416 5.961 1.00 0.00 H new ATOM 0 HE ARG A 12 10.865 -20.037 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.646 -20.182 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.398 -20.170 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.130 -20.023 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.808 -20.080 7.231 1.00 0.00 H new ATOM 158 N SER A 13 7.318 -15.895 8.286 1.00 0.00 N ATOM 159 CA SER A 13 7.863 -14.691 8.890 1.00 0.00 C ATOM 160 C SER A 13 7.173 -13.456 8.308 1.00 0.00 C ATOM 161 O SER A 13 6.715 -13.476 7.166 1.00 0.00 O ATOM 162 CB SER A 13 9.376 -14.604 8.677 1.00 0.00 C ATOM 163 OG SER A 13 10.098 -14.805 9.888 1.00 0.00 O ATOM 0 H SER A 13 6.808 -16.501 8.929 1.00 0.00 H new ATOM 0 HA SER A 13 7.677 -14.732 9.963 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.682 -15.350 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.628 -13.628 8.262 1.00 0.00 H new ATOM 0 HG SER A 13 11.060 -14.744 9.710 1.00 0.00 H new ATOM 169 N VAL A 14 7.121 -12.409 9.119 1.00 0.00 N ATOM 170 CA VAL A 14 6.494 -11.167 8.699 1.00 0.00 C ATOM 171 C VAL A 14 7.412 -9.994 9.049 1.00 0.00 C ATOM 172 O VAL A 14 8.129 -10.039 10.047 1.00 0.00 O ATOM 173 CB VAL A 14 5.103 -11.045 9.324 1.00 0.00 C ATOM 174 CG1 VAL A 14 4.324 -9.883 8.705 1.00 0.00 C ATOM 175 CG2 VAL A 14 4.326 -12.357 9.193 1.00 0.00 C ATOM 0 H VAL A 14 7.503 -12.395 10.065 1.00 0.00 H new ATOM 0 HA VAL A 14 6.352 -11.157 7.618 1.00 0.00 H new ATOM 0 HB VAL A 14 5.230 -10.835 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.339 -9.818 9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.865 -8.952 8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.212 -10.050 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.341 -12.243 9.645 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.214 -12.610 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.869 -13.154 9.702 1.00 0.00 H new ATOM 185 N MET A 15 7.359 -8.972 8.208 1.00 0.00 N ATOM 186 CA MET A 15 8.177 -7.789 8.417 1.00 0.00 C ATOM 187 C MET A 15 7.365 -6.513 8.184 1.00 0.00 C ATOM 188 O MET A 15 6.277 -6.561 7.611 1.00 0.00 O ATOM 189 CB MET A 15 9.369 -7.817 7.459 1.00 0.00 C ATOM 190 CG MET A 15 8.902 -7.897 6.004 1.00 0.00 C ATOM 191 SD MET A 15 8.798 -6.257 5.306 1.00 0.00 S ATOM 192 CE MET A 15 10.462 -5.685 5.608 1.00 0.00 C ATOM 0 H MET A 15 6.763 -8.938 7.381 1.00 0.00 H new ATOM 0 HA MET A 15 8.528 -7.791 9.449 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.975 -6.923 7.601 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.004 -8.673 7.688 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.596 -8.505 5.424 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.929 -8.386 5.952 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.787 -5.058 4.778 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.486 -5.107 6.532 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.130 -6.541 5.699 1.00 0.00 H new ATOM 202 N THR A 16 7.924 -5.402 8.640 1.00 0.00 N ATOM 203 CA THR A 16 7.266 -4.116 8.488 1.00 0.00 C ATOM 204 C THR A 16 8.159 -3.148 7.709 1.00 0.00 C ATOM 205 O THR A 16 9.343 -3.011 8.011 1.00 0.00 O ATOM 206 CB THR A 16 6.892 -3.609 9.883 1.00 0.00 C ATOM 207 OG1 THR A 16 5.971 -4.581 10.370 1.00 0.00 O ATOM 208 CG2 THR A 16 6.077 -2.315 9.836 1.00 0.00 C ATOM 0 H THR A 16 8.826 -5.366 9.115 1.00 0.00 H new ATOM 0 HA THR A 16 6.351 -4.207 7.903 1.00 0.00 H new ATOM 0 HB THR A 16 7.799 -3.446 10.465 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.678 -4.331 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.838 -1.999 10.851 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.658 -1.537 9.341 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.154 -2.486 9.283 1.00 0.00 H new ATOM 216 N GLU A 17 7.556 -2.501 6.723 1.00 0.00 N ATOM 217 CA GLU A 17 8.282 -1.550 5.898 1.00 0.00 C ATOM 218 C GLU A 17 7.500 -0.239 5.787 1.00 0.00 C ATOM 219 O GLU A 17 6.270 -0.243 5.797 1.00 0.00 O ATOM 220 CB GLU A 17 8.573 -2.134 4.514 1.00 0.00 C ATOM 221 CG GLU A 17 10.069 -2.079 4.199 1.00 0.00 C ATOM 222 CD GLU A 17 10.342 -2.518 2.759 1.00 0.00 C ATOM 223 OE1 GLU A 17 10.414 -3.747 2.545 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.474 -1.614 1.906 1.00 0.00 O ATOM 0 H GLU A 17 6.573 -2.616 6.477 1.00 0.00 H new ATOM 0 HA GLU A 17 9.239 -1.341 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.226 -3.167 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.018 -1.580 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.439 -1.065 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.614 -2.723 4.889 1.00 0.00 H new ATOM 231 N GLU A 18 8.247 0.851 5.683 1.00 0.00 N ATOM 232 CA GLU A 18 7.639 2.166 5.570 1.00 0.00 C ATOM 233 C GLU A 18 7.755 2.683 4.135 1.00 0.00 C ATOM 234 O GLU A 18 8.804 3.187 3.736 1.00 0.00 O ATOM 235 CB GLU A 18 8.270 3.148 6.559 1.00 0.00 C ATOM 236 CG GLU A 18 7.597 4.519 6.476 1.00 0.00 C ATOM 237 CD GLU A 18 7.753 5.288 7.789 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.227 4.788 8.806 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.396 6.359 7.746 1.00 0.00 O ATOM 0 H GLU A 18 9.267 0.850 5.675 1.00 0.00 H new ATOM 0 HA GLU A 18 6.582 2.079 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.181 2.756 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.335 3.248 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.035 5.094 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.539 4.395 6.247 1.00 0.00 H new ATOM 246 N TYR A 19 6.663 2.539 3.398 1.00 0.00 N ATOM 247 CA TYR A 19 6.629 2.985 2.016 1.00 0.00 C ATOM 248 C TYR A 19 5.810 4.270 1.874 1.00 0.00 C ATOM 249 O TYR A 19 4.608 4.276 2.138 1.00 0.00 O ATOM 250 CB TYR A 19 5.943 1.867 1.229 1.00 0.00 C ATOM 251 CG TYR A 19 6.108 1.982 -0.288 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.339 1.755 -0.867 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.025 2.314 -1.077 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.495 1.863 -2.295 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.180 2.422 -2.504 1.00 0.00 C ATOM 256 CZ TYR A 19 6.407 2.191 -3.043 1.00 0.00 C ATOM 257 OH TYR A 19 6.554 2.293 -4.391 1.00 0.00 O ATOM 0 H TYR A 19 5.795 2.120 3.732 1.00 0.00 H new ATOM 0 HA TYR A 19 7.636 3.193 1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.344 0.908 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.880 1.867 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.186 1.496 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.061 2.493 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.453 1.688 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.341 2.681 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 19 7.261 1.684 -4.690 1.00 0.00 H new ATOM 267 N LYS A 20 6.492 5.326 1.458 1.00 0.00 N ATOM 268 CA LYS A 20 5.843 6.614 1.278 1.00 0.00 C ATOM 269 C LYS A 20 5.367 6.741 -0.170 1.00 0.00 C ATOM 270 O LYS A 20 6.057 6.314 -1.094 1.00 0.00 O ATOM 271 CB LYS A 20 6.768 7.748 1.724 1.00 0.00 C ATOM 272 CG LYS A 20 6.677 7.968 3.235 1.00 0.00 C ATOM 273 CD LYS A 20 6.724 9.458 3.576 1.00 0.00 C ATOM 274 CE LYS A 20 7.865 9.763 4.548 1.00 0.00 C ATOM 275 NZ LYS A 20 7.585 11.004 5.304 1.00 0.00 N ATOM 0 H LYS A 20 7.488 5.317 1.240 1.00 0.00 H new ATOM 0 HA LYS A 20 4.960 6.688 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.796 7.513 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.500 8.667 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.752 7.534 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.499 7.452 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.854 10.039 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.775 9.764 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.994 8.930 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.800 9.868 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.370 11.196 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.485 11.799 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.703 10.890 5.844 1.00 0.00 H new ATOM 289 N VAL A 21 4.190 7.332 -0.323 1.00 0.00 N ATOM 290 CA VAL A 21 3.614 7.522 -1.643 1.00 0.00 C ATOM 291 C VAL A 21 3.112 8.961 -1.774 1.00 0.00 C ATOM 292 O VAL A 21 2.935 9.654 -0.773 1.00 0.00 O ATOM 293 CB VAL A 21 2.519 6.482 -1.890 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.099 5.214 -2.520 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.769 6.158 -0.597 1.00 0.00 C ATOM 0 H VAL A 21 3.620 7.685 0.446 1.00 0.00 H new ATOM 0 HA VAL A 21 4.369 7.370 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 21 1.804 6.909 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.300 4.491 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.566 5.462 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.845 4.784 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.996 5.417 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.468 5.761 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.307 7.065 -0.207 1.00 0.00 H new ATOM 305 N PRO A 22 2.891 9.379 -3.049 1.00 0.00 N ATOM 306 CA PRO A 22 2.413 10.724 -3.324 1.00 0.00 C ATOM 307 C PRO A 22 0.927 10.857 -2.986 1.00 0.00 C ATOM 308 O PRO A 22 0.086 10.201 -3.599 1.00 0.00 O ATOM 309 CB PRO A 22 2.710 10.954 -4.796 1.00 0.00 C ATOM 310 CG PRO A 22 2.916 9.574 -5.401 1.00 0.00 C ATOM 311 CD PRO A 22 3.090 8.586 -4.259 1.00 0.00 C ATOM 0 HA PRO A 22 2.904 11.479 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.886 11.475 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.598 11.573 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.062 9.297 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.793 9.568 -6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.366 7.774 -4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.081 8.131 -4.276 1.00 0.00 H new ATOM 319 N ASP A 23 0.648 11.710 -2.011 1.00 0.00 N ATOM 320 CA ASP A 23 -0.722 11.938 -1.585 1.00 0.00 C ATOM 321 C ASP A 23 -1.576 12.303 -2.800 1.00 0.00 C ATOM 322 O ASP A 23 -2.777 12.038 -2.821 1.00 0.00 O ATOM 323 CB ASP A 23 -0.803 13.094 -0.586 1.00 0.00 C ATOM 324 CG ASP A 23 -2.107 13.170 0.211 1.00 0.00 C ATOM 325 OD1 ASP A 23 -3.021 12.385 -0.121 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.160 14.011 1.134 1.00 0.00 O ATOM 0 H ASP A 23 1.348 12.252 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.084 11.025 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.028 13.009 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.670 14.031 -1.126 1.00 0.00 H new ATOM 331 N GLY A 24 -0.923 12.905 -3.783 1.00 0.00 N ATOM 332 CA GLY A 24 -1.607 13.309 -5.000 1.00 0.00 C ATOM 333 C GLY A 24 -2.032 12.090 -5.820 1.00 0.00 C ATOM 334 O GLY A 24 -2.727 12.225 -6.826 1.00 0.00 O ATOM 0 H GLY A 24 0.073 13.123 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.484 13.906 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.951 13.943 -5.597 1.00 0.00 H new ATOM 338 N MET A 25 -1.597 10.926 -5.361 1.00 0.00 N ATOM 339 CA MET A 25 -1.924 9.683 -6.040 1.00 0.00 C ATOM 340 C MET A 25 -2.658 8.723 -5.102 1.00 0.00 C ATOM 341 O MET A 25 -3.605 8.052 -5.512 1.00 0.00 O ATOM 342 CB MET A 25 -0.638 9.023 -6.543 1.00 0.00 C ATOM 343 CG MET A 25 -0.054 9.794 -7.728 1.00 0.00 C ATOM 344 SD MET A 25 -1.221 9.816 -9.078 1.00 0.00 S ATOM 345 CE MET A 25 -0.982 8.169 -9.722 1.00 0.00 C ATOM 0 H MET A 25 -1.020 10.817 -4.527 1.00 0.00 H new ATOM 0 HA MET A 25 -2.579 9.911 -6.881 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.093 8.981 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.845 7.995 -6.840 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.185 10.814 -7.427 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.878 9.330 -8.050 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.832 7.896 -10.348 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.069 8.140 -10.317 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.899 7.464 -8.895 1.00 0.00 H new ATOM 355 N VAL A 26 -2.195 8.688 -3.862 1.00 0.00 N ATOM 356 CA VAL A 26 -2.796 7.820 -2.863 1.00 0.00 C ATOM 357 C VAL A 26 -4.320 7.908 -2.968 1.00 0.00 C ATOM 358 O VAL A 26 -5.004 6.886 -3.002 1.00 0.00 O ATOM 359 CB VAL A 26 -2.272 8.182 -1.472 1.00 0.00 C ATOM 360 CG1 VAL A 26 -3.064 9.345 -0.872 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.295 6.966 -0.543 1.00 0.00 C ATOM 0 H VAL A 26 -1.411 9.246 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.516 6.782 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.236 8.503 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.671 9.581 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.973 10.219 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.114 9.065 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.917 7.251 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.318 6.601 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.666 6.179 -0.959 1.00 0.00 H new ATOM 371 N GLY A 27 -4.808 9.139 -3.017 1.00 0.00 N ATOM 372 CA GLY A 27 -6.239 9.373 -3.119 1.00 0.00 C ATOM 373 C GLY A 27 -6.866 8.481 -4.191 1.00 0.00 C ATOM 374 O GLY A 27 -8.027 8.092 -4.079 1.00 0.00 O ATOM 0 H GLY A 27 -4.238 9.985 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.712 9.178 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.424 10.420 -3.359 1.00 0.00 H new ATOM 378 N PHE A 28 -6.070 8.183 -5.208 1.00 0.00 N ATOM 379 CA PHE A 28 -6.533 7.344 -6.300 1.00 0.00 C ATOM 380 C PHE A 28 -6.155 5.881 -6.065 1.00 0.00 C ATOM 381 O PHE A 28 -6.797 4.977 -6.598 1.00 0.00 O ATOM 382 CB PHE A 28 -5.839 7.841 -7.570 1.00 0.00 C ATOM 383 CG PHE A 28 -5.680 6.770 -8.651 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.733 5.975 -8.981 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.486 6.613 -9.283 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.586 4.981 -9.985 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.338 5.619 -10.286 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.391 4.824 -10.616 1.00 0.00 C ATOM 0 H PHE A 28 -5.107 8.508 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.618 7.402 -6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.408 8.675 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.854 8.226 -7.307 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.681 6.100 -8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.650 7.245 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.422 4.350 -10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.389 5.494 -10.787 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.279 4.068 -11.379 1.00 0.00 H new ATOM 398 N ILE A 29 -5.114 5.692 -5.267 1.00 0.00 N ATOM 399 CA ILE A 29 -4.642 4.354 -4.956 1.00 0.00 C ATOM 400 C ILE A 29 -5.728 3.603 -4.182 1.00 0.00 C ATOM 401 O ILE A 29 -5.871 2.389 -4.326 1.00 0.00 O ATOM 402 CB ILE A 29 -3.298 4.415 -4.226 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.243 5.121 -5.080 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.845 3.020 -3.793 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.871 5.076 -4.405 1.00 0.00 C ATOM 0 H ILE A 29 -4.584 6.444 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.455 3.793 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.428 5.006 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.186 4.646 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.537 6.158 -5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.888 3.092 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.587 2.588 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.737 2.384 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.140 5.585 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.926 5.573 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.569 4.038 -4.264 1.00 0.00 H new ATOM 417 N ILE A 30 -6.465 4.355 -3.378 1.00 0.00 N ATOM 418 CA ILE A 30 -7.533 3.775 -2.582 1.00 0.00 C ATOM 419 C ILE A 30 -8.575 3.151 -3.512 1.00 0.00 C ATOM 420 O ILE A 30 -8.828 1.948 -3.448 1.00 0.00 O ATOM 421 CB ILE A 30 -8.112 4.817 -1.622 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.997 5.558 -0.881 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.115 4.178 -0.660 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.060 7.061 -1.157 1.00 0.00 C ATOM 0 H ILE A 30 -6.344 5.361 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.146 2.974 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.656 5.558 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.085 5.377 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.028 5.168 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.511 4.940 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.932 3.734 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.617 3.404 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.257 7.564 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.947 7.240 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.021 7.452 -0.823 1.00 0.00 H new ATOM 436 N GLY A 31 -9.152 3.995 -4.355 1.00 0.00 N ATOM 437 CA GLY A 31 -10.161 3.540 -5.296 1.00 0.00 C ATOM 438 C GLY A 31 -11.564 3.668 -4.701 1.00 0.00 C ATOM 439 O GLY A 31 -12.278 2.676 -4.567 1.00 0.00 O ATOM 0 H GLY A 31 -8.940 4.991 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.097 4.124 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.970 2.501 -5.565 1.00 0.00 H new ATOM 443 N ARG A 32 -11.918 4.899 -4.359 1.00 0.00 N ATOM 444 CA ARG A 32 -13.223 5.169 -3.780 1.00 0.00 C ATOM 445 C ARG A 32 -13.612 4.056 -2.805 1.00 0.00 C ATOM 446 O ARG A 32 -14.218 3.062 -3.202 1.00 0.00 O ATOM 447 CB ARG A 32 -14.294 5.283 -4.867 1.00 0.00 C ATOM 448 CG ARG A 32 -14.758 6.732 -5.029 1.00 0.00 C ATOM 449 CD ARG A 32 -16.228 6.884 -4.636 1.00 0.00 C ATOM 450 NE ARG A 32 -16.410 8.105 -3.818 1.00 0.00 N ATOM 451 CZ ARG A 32 -15.857 8.290 -2.612 1.00 0.00 C ATOM 452 NH1 ARG A 32 -15.086 7.335 -2.074 1.00 0.00 N ATOM 453 NH2 ARG A 32 -16.077 9.430 -1.942 1.00 0.00 N ATOM 0 H ARG A 32 -11.323 5.720 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.160 6.118 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.897 4.916 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.145 4.651 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.143 7.386 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.620 7.048 -6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.848 6.940 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.555 6.009 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.993 8.852 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.920 6.467 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.665 7.476 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.665 10.156 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.656 9.571 -1.024 1.00 0.00 H new ATOM 467 N GLY A 33 -13.248 4.261 -1.548 1.00 0.00 N ATOM 468 CA GLY A 33 -13.552 3.287 -0.513 1.00 0.00 C ATOM 469 C GLY A 33 -12.315 2.457 -0.161 1.00 0.00 C ATOM 470 O GLY A 33 -12.083 2.147 1.007 1.00 0.00 O ATOM 0 H GLY A 33 -12.746 5.087 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.916 3.799 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.352 2.629 -0.852 1.00 0.00 H new ATOM 474 N GLY A 34 -11.554 2.122 -1.192 1.00 0.00 N ATOM 475 CA GLY A 34 -10.347 1.335 -1.006 1.00 0.00 C ATOM 476 C GLY A 34 -10.433 0.011 -1.769 1.00 0.00 C ATOM 477 O GLY A 34 -9.950 -1.016 -1.294 1.00 0.00 O ATOM 0 H GLY A 34 -11.750 2.381 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.482 1.902 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.197 1.138 0.056 1.00 0.00 H new ATOM 481 N GLU A 35 -11.053 0.078 -2.938 1.00 0.00 N ATOM 482 CA GLU A 35 -11.209 -1.103 -3.771 1.00 0.00 C ATOM 483 C GLU A 35 -10.009 -1.253 -4.709 1.00 0.00 C ATOM 484 O GLU A 35 -9.667 -2.364 -5.111 1.00 0.00 O ATOM 485 CB GLU A 35 -12.519 -1.048 -4.560 1.00 0.00 C ATOM 486 CG GLU A 35 -12.608 -2.206 -5.556 1.00 0.00 C ATOM 487 CD GLU A 35 -14.041 -2.732 -5.658 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.715 -2.750 -4.606 1.00 0.00 O ATOM 489 OE2 GLU A 35 -14.429 -3.104 -6.786 1.00 0.00 O ATOM 0 H GLU A 35 -11.453 0.931 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.250 -1.978 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.364 -1.089 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.587 -0.099 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.268 -1.874 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.943 -3.011 -5.244 1.00 0.00 H new ATOM 496 N GLN A 36 -9.404 -0.119 -5.030 1.00 0.00 N ATOM 497 CA GLN A 36 -8.250 -0.110 -5.913 1.00 0.00 C ATOM 498 C GLN A 36 -7.018 -0.645 -5.181 1.00 0.00 C ATOM 499 O GLN A 36 -6.172 -1.305 -5.782 1.00 0.00 O ATOM 500 CB GLN A 36 -7.994 1.293 -6.466 1.00 0.00 C ATOM 501 CG GLN A 36 -6.729 1.320 -7.326 1.00 0.00 C ATOM 502 CD GLN A 36 -7.067 1.611 -8.790 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.218 1.704 -9.181 1.00 0.00 O ATOM 504 NE2 GLN A 36 -6.001 1.748 -9.574 1.00 0.00 N ATOM 0 H GLN A 36 -9.691 0.800 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.458 -0.765 -6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.849 1.615 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.893 2.000 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.045 2.080 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.214 0.362 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.064 1.658 -9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.121 1.943 -10.568 1.00 0.00 H new ATOM 513 N ILE A 37 -6.955 -0.339 -3.893 1.00 0.00 N ATOM 514 CA ILE A 37 -5.840 -0.781 -3.073 1.00 0.00 C ATOM 515 C ILE A 37 -6.019 -2.261 -2.731 1.00 0.00 C ATOM 516 O ILE A 37 -5.088 -3.052 -2.876 1.00 0.00 O ATOM 517 CB ILE A 37 -5.688 0.120 -1.845 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.338 -0.108 -1.162 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.859 -0.069 -0.879 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.257 0.785 -1.773 1.00 0.00 C ATOM 0 H ILE A 37 -7.658 0.210 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.903 -0.692 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.709 1.158 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.426 0.100 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.049 -1.154 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.727 0.582 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.792 0.183 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.894 -1.107 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.307 0.603 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.154 0.558 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.538 1.831 -1.651 1.00 0.00 H new ATOM 532 N SER A 38 -7.222 -2.592 -2.284 1.00 0.00 N ATOM 533 CA SER A 38 -7.534 -3.963 -1.920 1.00 0.00 C ATOM 534 C SER A 38 -6.984 -4.923 -2.977 1.00 0.00 C ATOM 535 O SER A 38 -6.304 -5.893 -2.646 1.00 0.00 O ATOM 536 CB SER A 38 -9.043 -4.160 -1.759 1.00 0.00 C ATOM 537 OG SER A 38 -9.361 -5.452 -1.250 1.00 0.00 O ATOM 0 H SER A 38 -7.992 -1.934 -2.166 1.00 0.00 H new ATOM 0 HA SER A 38 -7.062 -4.178 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.438 -3.398 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.532 -4.020 -2.723 1.00 0.00 H new ATOM 0 HG SER A 38 -10.333 -5.538 -1.160 1.00 0.00 H new ATOM 543 N ARG A 39 -7.299 -4.619 -4.228 1.00 0.00 N ATOM 544 CA ARG A 39 -6.844 -5.443 -5.335 1.00 0.00 C ATOM 545 C ARG A 39 -5.327 -5.631 -5.269 1.00 0.00 C ATOM 546 O ARG A 39 -4.812 -6.684 -5.643 1.00 0.00 O ATOM 547 CB ARG A 39 -7.215 -4.813 -6.679 1.00 0.00 C ATOM 548 CG ARG A 39 -7.881 -5.837 -7.600 1.00 0.00 C ATOM 549 CD ARG A 39 -9.164 -5.271 -8.212 1.00 0.00 C ATOM 550 NE ARG A 39 -9.165 -5.488 -9.676 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.261 -5.420 -10.444 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.450 -5.141 -9.893 1.00 0.00 N ATOM 553 NH2 ARG A 39 -10.167 -5.631 -11.764 1.00 0.00 N ATOM 0 H ARG A 39 -7.864 -3.814 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.337 -6.411 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.889 -3.972 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.320 -4.416 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.190 -6.121 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.111 -6.742 -7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.033 -5.752 -7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.242 -4.206 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.276 -5.703 -10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.521 -4.980 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.284 -5.089 -10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.262 -5.843 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.001 -5.579 -12.349 1.00 0.00 H new ATOM 567 N ILE A 40 -4.655 -4.595 -4.791 1.00 0.00 N ATOM 568 CA ILE A 40 -3.207 -4.633 -4.671 1.00 0.00 C ATOM 569 C ILE A 40 -2.823 -5.478 -3.454 1.00 0.00 C ATOM 570 O ILE A 40 -1.838 -6.214 -3.492 1.00 0.00 O ATOM 571 CB ILE A 40 -2.634 -3.215 -4.640 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.241 -2.355 -5.751 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.106 -3.239 -4.703 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.901 -0.877 -5.547 1.00 0.00 C ATOM 0 H ILE A 40 -5.086 -3.724 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.765 -5.111 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.909 -2.756 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.867 -2.688 -6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.323 -2.484 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.725 -2.218 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.715 -3.792 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.787 -3.724 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.344 -0.288 -6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.298 -0.541 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.819 -0.748 -5.557 1.00 0.00 H new ATOM 586 N GLN A 41 -3.620 -5.344 -2.405 1.00 0.00 N ATOM 587 CA GLN A 41 -3.375 -6.086 -1.180 1.00 0.00 C ATOM 588 C GLN A 41 -3.656 -7.574 -1.396 1.00 0.00 C ATOM 589 O GLN A 41 -3.019 -8.426 -0.777 1.00 0.00 O ATOM 590 CB GLN A 41 -4.214 -5.531 -0.026 1.00 0.00 C ATOM 591 CG GLN A 41 -3.622 -4.223 0.502 1.00 0.00 C ATOM 592 CD GLN A 41 -4.481 -3.650 1.631 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.807 -2.371 1.466 1.00 0.00 O flip ATOM 594 NE2 GLN A 41 -4.824 -4.323 2.589 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.436 -4.733 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.325 -5.970 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.236 -5.362 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.262 -6.264 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.609 -4.398 0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.550 -3.498 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.539 -5.300 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.396 -3.908 3.325 1.00 0.00 H new ATOM 603 N GLN A 42 -4.610 -7.843 -2.275 1.00 0.00 N ATOM 604 CA GLN A 42 -4.983 -9.213 -2.580 1.00 0.00 C ATOM 605 C GLN A 42 -4.071 -9.782 -3.669 1.00 0.00 C ATOM 606 O GLN A 42 -3.757 -10.971 -3.663 1.00 0.00 O ATOM 607 CB GLN A 42 -6.453 -9.303 -2.994 1.00 0.00 C ATOM 608 CG GLN A 42 -7.374 -9.158 -1.781 1.00 0.00 C ATOM 609 CD GLN A 42 -8.192 -10.431 -1.559 1.00 0.00 C ATOM 610 OE1 GLN A 42 -7.807 -11.328 -0.827 1.00 0.00 O ATOM 611 NE2 GLN A 42 -9.341 -10.461 -2.229 1.00 0.00 N ATOM 0 H GLN A 42 -5.136 -7.134 -2.786 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.857 -9.812 -1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.678 -8.523 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.639 -10.259 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.780 -8.943 -0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.045 -8.311 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.604 -9.676 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.959 -11.269 -2.146 1.00 0.00 H new ATOM 620 N GLU A 43 -3.672 -8.905 -4.579 1.00 0.00 N ATOM 621 CA GLU A 43 -2.802 -9.304 -5.672 1.00 0.00 C ATOM 622 C GLU A 43 -1.453 -9.780 -5.130 1.00 0.00 C ATOM 623 O GLU A 43 -0.988 -10.865 -5.477 1.00 0.00 O ATOM 624 CB GLU A 43 -2.620 -8.162 -6.673 1.00 0.00 C ATOM 625 CG GLU A 43 -3.623 -8.274 -7.822 1.00 0.00 C ATOM 626 CD GLU A 43 -3.158 -9.298 -8.859 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.966 -9.228 -9.231 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.003 -10.128 -9.256 1.00 0.00 O ATOM 0 H GLU A 43 -3.935 -7.920 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.272 -10.134 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.748 -7.206 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.605 -8.179 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.598 -8.564 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.747 -7.301 -8.297 1.00 0.00 H new ATOM 635 N SER A 44 -0.861 -8.944 -4.290 1.00 0.00 N ATOM 636 CA SER A 44 0.426 -9.266 -3.697 1.00 0.00 C ATOM 637 C SER A 44 0.223 -10.020 -2.381 1.00 0.00 C ATOM 638 O SER A 44 1.148 -10.652 -1.874 1.00 0.00 O ATOM 639 CB SER A 44 1.255 -8.002 -3.461 1.00 0.00 C ATOM 640 OG SER A 44 0.580 -7.069 -2.621 1.00 0.00 O ATOM 0 H SER A 44 -1.249 -8.044 -4.006 1.00 0.00 H new ATOM 0 HA SER A 44 0.973 -9.903 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.209 -8.273 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.479 -7.532 -4.418 1.00 0.00 H new ATOM 0 HG SER A 44 -0.214 -6.728 -3.083 1.00 0.00 H new ATOM 646 N GLY A 45 -0.995 -9.928 -1.866 1.00 0.00 N ATOM 647 CA GLY A 45 -1.331 -10.594 -0.619 1.00 0.00 C ATOM 648 C GLY A 45 -0.574 -9.973 0.556 1.00 0.00 C ATOM 649 O GLY A 45 -0.340 -10.633 1.568 1.00 0.00 O ATOM 0 H GLY A 45 -1.760 -9.403 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.404 -10.523 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.089 -11.654 -0.692 1.00 0.00 H new ATOM 653 N CYS A 46 -0.211 -8.710 0.384 1.00 0.00 N ATOM 654 CA CYS A 46 0.516 -7.993 1.418 1.00 0.00 C ATOM 655 C CYS A 46 -0.439 -6.988 2.066 1.00 0.00 C ATOM 656 O CYS A 46 -1.437 -6.597 1.463 1.00 0.00 O ATOM 657 CB CYS A 46 1.768 -7.313 0.861 1.00 0.00 C ATOM 658 SG CYS A 46 3.175 -7.559 2.005 1.00 0.00 S ATOM 0 H CYS A 46 -0.407 -8.165 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 46 0.870 -8.696 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.009 -7.724 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.583 -6.248 0.723 1.00 0.00 H new ATOM 0 HG CYS A 46 3.477 -6.428 2.570 1.00 0.00 H new ATOM 664 N LYS A 47 -0.098 -6.598 3.285 1.00 0.00 N ATOM 665 CA LYS A 47 -0.912 -5.647 4.022 1.00 0.00 C ATOM 666 C LYS A 47 -0.439 -4.226 3.707 1.00 0.00 C ATOM 667 O LYS A 47 0.758 -3.987 3.552 1.00 0.00 O ATOM 668 CB LYS A 47 -0.907 -5.980 5.515 1.00 0.00 C ATOM 669 CG LYS A 47 -2.169 -5.450 6.199 1.00 0.00 C ATOM 670 CD LYS A 47 -2.822 -6.534 7.060 1.00 0.00 C ATOM 671 CE LYS A 47 -4.234 -6.122 7.482 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.382 -6.212 8.952 1.00 0.00 N ATOM 0 H LYS A 47 0.732 -6.924 3.781 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.954 -5.714 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.842 -7.060 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.025 -5.546 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.917 -4.590 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.877 -5.103 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.864 -7.470 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.213 -6.717 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.436 -5.103 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.968 -6.766 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.346 -5.929 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.210 -7.191 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.695 -5.580 9.409 1.00 0.00 H new ATOM 686 N ILE A 48 -1.402 -3.321 3.622 1.00 0.00 N ATOM 687 CA ILE A 48 -1.099 -1.930 3.328 1.00 0.00 C ATOM 688 C ILE A 48 -1.904 -1.028 4.266 1.00 0.00 C ATOM 689 O ILE A 48 -3.098 -0.817 4.056 1.00 0.00 O ATOM 690 CB ILE A 48 -1.326 -1.634 1.845 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.350 -2.426 0.972 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.251 -0.131 1.568 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.939 -2.681 -0.417 1.00 0.00 C ATOM 0 H ILE A 48 -2.393 -3.523 3.752 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.045 -1.722 3.512 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.332 -1.961 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.587 -1.877 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.116 -3.376 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.416 0.052 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.016 0.385 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.267 0.243 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.225 -3.245 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.863 -3.251 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.149 -1.729 -0.904 1.00 0.00 H new ATOM 705 N GLN A 49 -1.219 -0.521 5.280 1.00 0.00 N ATOM 706 CA GLN A 49 -1.856 0.354 6.250 1.00 0.00 C ATOM 707 C GLN A 49 -1.600 1.819 5.892 1.00 0.00 C ATOM 708 O GLN A 49 -0.530 2.354 6.176 1.00 0.00 O ATOM 709 CB GLN A 49 -1.372 0.044 7.668 1.00 0.00 C ATOM 710 CG GLN A 49 -2.148 -1.131 8.267 1.00 0.00 C ATOM 711 CD GLN A 49 -1.443 -1.675 9.512 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.545 -1.135 10.601 1.00 0.00 O ATOM 713 NE2 GLN A 49 -0.725 -2.773 9.290 1.00 0.00 N ATOM 0 H GLN A 49 -0.229 -0.699 5.451 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.931 0.176 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.308 -0.190 7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.494 0.925 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.157 -0.811 8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.246 -1.923 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.682 -3.174 8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.217 -3.214 10.057 1.00 0.00 H new ATOM 722 N ILE A 50 -2.602 2.427 5.273 1.00 0.00 N ATOM 723 CA ILE A 50 -2.499 3.820 4.873 1.00 0.00 C ATOM 724 C ILE A 50 -3.241 4.694 5.887 1.00 0.00 C ATOM 725 O ILE A 50 -4.441 4.524 6.097 1.00 0.00 O ATOM 726 CB ILE A 50 -2.985 4.001 3.434 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.502 2.854 2.544 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.570 5.367 2.883 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.882 3.097 1.082 1.00 0.00 C ATOM 0 H ILE A 50 -3.489 1.980 5.039 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.457 4.141 4.877 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.075 3.971 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.420 2.753 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.938 1.915 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.928 5.470 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.003 6.155 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.483 5.450 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.527 2.267 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.966 3.173 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.424 4.024 0.736 1.00 0.00 H new ATOM 741 N ALA A 51 -2.496 5.609 6.488 1.00 0.00 N ATOM 742 CA ALA A 51 -3.068 6.509 7.475 1.00 0.00 C ATOM 743 C ALA A 51 -4.078 7.434 6.791 1.00 0.00 C ATOM 744 O ALA A 51 -4.043 7.604 5.573 1.00 0.00 O ATOM 745 CB ALA A 51 -1.947 7.283 8.171 1.00 0.00 C ATOM 0 H ALA A 51 -1.501 5.747 6.311 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.602 5.948 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.376 7.958 8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.274 6.583 8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.391 7.861 7.433 1.00 0.00 H new ATOM 751 N PRO A 52 -4.976 8.022 7.626 1.00 0.00 N ATOM 752 CA PRO A 52 -5.993 8.925 7.114 1.00 0.00 C ATOM 753 C PRO A 52 -5.389 10.283 6.752 1.00 0.00 C ATOM 754 O PRO A 52 -5.194 10.586 5.576 1.00 0.00 O ATOM 755 CB PRO A 52 -7.033 9.013 8.220 1.00 0.00 C ATOM 756 CG PRO A 52 -6.339 8.531 9.484 1.00 0.00 C ATOM 757 CD PRO A 52 -5.047 7.844 9.073 1.00 0.00 C ATOM 0 HA PRO A 52 -6.444 8.569 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.393 10.035 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.901 8.394 7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.131 9.369 10.149 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.980 7.841 10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.186 8.291 9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.057 6.788 9.342 1.00 0.00 H new ATOM 765 N ASP A 53 -5.109 11.065 7.784 1.00 0.00 N ATOM 766 CA ASP A 53 -4.531 12.383 7.589 1.00 0.00 C ATOM 767 C ASP A 53 -3.016 12.251 7.418 1.00 0.00 C ATOM 768 O ASP A 53 -2.354 11.585 8.213 1.00 0.00 O ATOM 769 CB ASP A 53 -4.793 13.284 8.798 1.00 0.00 C ATOM 770 CG ASP A 53 -6.019 14.192 8.674 1.00 0.00 C ATOM 771 OD1 ASP A 53 -6.869 13.882 7.812 1.00 0.00 O ATOM 772 OD2 ASP A 53 -6.077 15.175 9.444 1.00 0.00 O ATOM 0 H ASP A 53 -5.272 10.811 8.758 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.989 12.824 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.912 12.656 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.914 13.906 8.966 1.00 0.00 H new ATOM 777 N SER A 54 -2.512 12.896 6.377 1.00 0.00 N ATOM 778 CA SER A 54 -1.088 12.859 6.091 1.00 0.00 C ATOM 779 C SER A 54 -0.373 13.979 6.849 1.00 0.00 C ATOM 780 O SER A 54 0.488 14.659 6.293 1.00 0.00 O ATOM 781 CB SER A 54 -0.824 12.982 4.589 1.00 0.00 C ATOM 782 OG SER A 54 -1.824 13.756 3.933 1.00 0.00 O ATOM 0 H SER A 54 -3.065 13.448 5.721 1.00 0.00 H new ATOM 0 HA SER A 54 -0.698 11.897 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.152 13.440 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.786 11.987 4.145 1.00 0.00 H new ATOM 0 HG SER A 54 -1.717 13.673 2.962 1.00 0.00 H new ATOM 788 N GLY A 55 -0.756 14.136 8.108 1.00 0.00 N ATOM 789 CA GLY A 55 -0.162 15.162 8.948 1.00 0.00 C ATOM 790 C GLY A 55 0.123 16.432 8.144 1.00 0.00 C ATOM 791 O GLY A 55 -0.759 17.271 7.969 1.00 0.00 O ATOM 0 H GLY A 55 -1.470 13.570 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.833 15.394 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.764 14.788 9.385 1.00 0.00 H new ATOM 795 N GLY A 56 1.359 16.533 7.677 1.00 0.00 N ATOM 796 CA GLY A 56 1.771 17.687 6.895 1.00 0.00 C ATOM 797 C GLY A 56 2.883 17.314 5.912 1.00 0.00 C ATOM 798 O GLY A 56 3.638 18.177 5.467 1.00 0.00 O ATOM 0 H GLY A 56 2.088 15.835 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.916 18.085 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.119 18.477 7.561 1.00 0.00 H new ATOM 802 N LEU A 57 2.948 16.028 5.602 1.00 0.00 N ATOM 803 CA LEU A 57 3.955 15.530 4.680 1.00 0.00 C ATOM 804 C LEU A 57 3.359 15.459 3.272 1.00 0.00 C ATOM 805 O LEU A 57 2.147 15.327 3.112 1.00 0.00 O ATOM 806 CB LEU A 57 4.524 14.199 5.175 1.00 0.00 C ATOM 807 CG LEU A 57 5.705 14.293 6.142 1.00 0.00 C ATOM 808 CD1 LEU A 57 6.937 14.877 5.448 1.00 0.00 C ATOM 809 CD2 LEU A 57 5.326 15.084 7.396 1.00 0.00 C ATOM 0 H LEU A 57 2.320 15.315 5.973 1.00 0.00 H new ATOM 0 HA LEU A 57 4.802 16.214 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.723 13.644 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.835 13.615 4.309 1.00 0.00 H new ATOM 0 HG LEU A 57 5.964 13.284 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.762 14.933 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.221 14.238 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.707 15.877 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.184 15.136 8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.025 16.093 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.498 14.588 7.903 1.00 0.00 H new ATOM 821 N PRO A 58 4.264 15.552 2.260 1.00 0.00 N ATOM 822 CA PRO A 58 3.841 15.499 0.871 1.00 0.00 C ATOM 823 C PRO A 58 3.478 14.070 0.462 1.00 0.00 C ATOM 824 O PRO A 58 2.628 13.865 -0.403 1.00 0.00 O ATOM 825 CB PRO A 58 5.011 16.064 0.082 1.00 0.00 C ATOM 826 CG PRO A 58 6.216 15.979 1.005 1.00 0.00 C ATOM 827 CD PRO A 58 5.707 15.709 2.411 1.00 0.00 C ATOM 0 HA PRO A 58 2.936 16.077 0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.178 15.493 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.819 17.095 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.888 15.184 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.785 16.908 0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.161 14.811 2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.947 16.532 3.084 1.00 0.00 H new ATOM 835 N GLU A 59 4.141 13.119 1.104 1.00 0.00 N ATOM 836 CA GLU A 59 3.899 11.715 0.818 1.00 0.00 C ATOM 837 C GLU A 59 3.174 11.051 1.990 1.00 0.00 C ATOM 838 O GLU A 59 3.449 11.360 3.149 1.00 0.00 O ATOM 839 CB GLU A 59 5.206 10.987 0.498 1.00 0.00 C ATOM 840 CG GLU A 59 5.775 11.446 -0.846 1.00 0.00 C ATOM 841 CD GLU A 59 7.006 12.332 -0.647 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.110 12.922 0.450 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.817 12.398 -1.597 1.00 0.00 O ATOM 0 H GLU A 59 4.845 13.293 1.821 1.00 0.00 H new ATOM 0 HA GLU A 59 3.260 11.649 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.933 11.174 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.031 9.911 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.041 10.577 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.013 11.995 -1.399 1.00 0.00 H new ATOM 850 N ARG A 60 2.263 10.152 1.649 1.00 0.00 N ATOM 851 CA ARG A 60 1.497 9.443 2.660 1.00 0.00 C ATOM 852 C ARG A 60 2.213 8.150 3.058 1.00 0.00 C ATOM 853 O ARG A 60 2.520 7.319 2.206 1.00 0.00 O ATOM 854 CB ARG A 60 0.094 9.104 2.151 1.00 0.00 C ATOM 855 CG ARG A 60 -0.629 8.166 3.119 1.00 0.00 C ATOM 856 CD ARG A 60 -1.479 8.955 4.116 1.00 0.00 C ATOM 857 NE ARG A 60 -0.702 9.219 5.347 1.00 0.00 N ATOM 858 CZ ARG A 60 -1.249 9.551 6.524 1.00 0.00 C ATOM 859 NH1 ARG A 60 -2.579 9.663 6.637 1.00 0.00 N ATOM 860 NH2 ARG A 60 -0.465 9.772 7.589 1.00 0.00 N ATOM 0 H ARG A 60 2.038 9.898 0.687 1.00 0.00 H new ATOM 0 HA ARG A 60 1.409 10.096 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.483 10.020 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.163 8.636 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.263 7.479 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.100 7.560 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.798 9.896 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.382 8.395 4.359 1.00 0.00 H new ATOM 0 HE ARG A 60 0.314 9.143 5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.176 9.495 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.995 9.916 7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.548 9.687 7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.881 10.025 8.485 1.00 0.00 H new ATOM 874 N SER A 61 2.458 8.023 4.354 1.00 0.00 N ATOM 875 CA SER A 61 3.132 6.846 4.875 1.00 0.00 C ATOM 876 C SER A 61 2.187 5.643 4.841 1.00 0.00 C ATOM 877 O SER A 61 1.064 5.717 5.336 1.00 0.00 O ATOM 878 CB SER A 61 3.634 7.085 6.301 1.00 0.00 C ATOM 879 OG SER A 61 4.307 5.945 6.828 1.00 0.00 O ATOM 0 H SER A 61 2.202 8.715 5.058 1.00 0.00 H new ATOM 0 HA SER A 61 3.996 6.640 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.309 7.941 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.791 7.338 6.944 1.00 0.00 H new ATOM 0 HG SER A 61 4.614 6.138 7.739 1.00 0.00 H new ATOM 885 N CYS A 62 2.677 4.563 4.250 1.00 0.00 N ATOM 886 CA CYS A 62 1.890 3.346 4.144 1.00 0.00 C ATOM 887 C CYS A 62 2.704 2.195 4.738 1.00 0.00 C ATOM 888 O CYS A 62 3.700 1.768 4.155 1.00 0.00 O ATOM 889 CB CYS A 62 1.474 3.065 2.699 1.00 0.00 C ATOM 890 SG CYS A 62 0.617 4.523 1.999 1.00 0.00 S ATOM 0 H CYS A 62 3.609 4.505 3.840 1.00 0.00 H new ATOM 0 HA CYS A 62 0.962 3.460 4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.352 2.826 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.818 2.195 2.663 1.00 0.00 H new ATOM 0 HG CYS A 62 1.383 5.568 2.103 1.00 0.00 H new ATOM 896 N MET A 63 2.250 1.724 5.890 1.00 0.00 N ATOM 897 CA MET A 63 2.923 0.630 6.569 1.00 0.00 C ATOM 898 C MET A 63 2.522 -0.718 5.968 1.00 0.00 C ATOM 899 O MET A 63 1.340 -1.055 5.923 1.00 0.00 O ATOM 900 CB MET A 63 2.564 0.654 8.056 1.00 0.00 C ATOM 901 CG MET A 63 3.060 1.940 8.720 1.00 0.00 C ATOM 902 SD MET A 63 4.827 2.088 8.519 1.00 0.00 S ATOM 903 CE MET A 63 5.380 1.009 9.829 1.00 0.00 C ATOM 0 H MET A 63 1.424 2.080 6.371 1.00 0.00 H new ATOM 0 HA MET A 63 3.998 0.756 6.444 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.483 0.573 8.174 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.005 -0.210 8.554 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.562 2.803 8.278 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.805 1.933 9.780 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.396 0.673 9.620 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.364 1.549 10.776 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.718 0.145 9.893 1.00 0.00 H new ATOM 913 N LEU A 64 3.530 -1.454 5.522 1.00 0.00 N ATOM 914 CA LEU A 64 3.297 -2.759 4.926 1.00 0.00 C ATOM 915 C LEU A 64 3.666 -3.849 5.934 1.00 0.00 C ATOM 916 O LEU A 64 4.591 -3.679 6.726 1.00 0.00 O ATOM 917 CB LEU A 64 4.037 -2.878 3.592 1.00 0.00 C ATOM 918 CG LEU A 64 3.710 -1.810 2.546 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.901 -0.875 2.327 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.237 -2.450 1.239 1.00 0.00 C ATOM 0 H LEU A 64 4.509 -1.172 5.561 1.00 0.00 H new ATOM 0 HA LEU A 64 2.240 -2.887 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.109 -2.849 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.819 -3.856 3.164 1.00 0.00 H new ATOM 0 HG LEU A 64 2.888 -1.202 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.642 -0.125 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.152 -0.380 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.758 -1.453 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.011 -1.669 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.022 -3.096 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.341 -3.041 1.427 1.00 0.00 H new ATOM 932 N THR A 65 2.924 -4.944 5.871 1.00 0.00 N ATOM 933 CA THR A 65 3.162 -6.062 6.768 1.00 0.00 C ATOM 934 C THR A 65 2.908 -7.388 6.048 1.00 0.00 C ATOM 935 O THR A 65 1.836 -7.596 5.483 1.00 0.00 O ATOM 936 CB THR A 65 2.286 -5.868 8.008 1.00 0.00 C ATOM 937 OG1 THR A 65 2.649 -4.577 8.490 1.00 0.00 O ATOM 938 CG2 THR A 65 2.669 -6.812 9.149 1.00 0.00 C ATOM 0 H THR A 65 2.157 -5.081 5.213 1.00 0.00 H new ATOM 0 HA THR A 65 4.203 -6.096 7.089 1.00 0.00 H new ATOM 0 HB THR A 65 1.241 -6.025 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.127 -4.369 9.293 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.017 -6.633 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.559 -7.845 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.704 -6.632 9.438 1.00 0.00 H new ATOM 946 N GLY A 66 3.914 -8.250 6.091 1.00 0.00 N ATOM 947 CA GLY A 66 3.814 -9.549 5.450 1.00 0.00 C ATOM 948 C GLY A 66 5.188 -10.044 4.995 1.00 0.00 C ATOM 949 O GLY A 66 6.206 -9.696 5.593 1.00 0.00 O ATOM 0 H GLY A 66 4.802 -8.073 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.376 -10.267 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.145 -9.484 4.592 1.00 0.00 H new ATOM 953 N THR A 67 5.174 -10.847 3.942 1.00 0.00 N ATOM 954 CA THR A 67 6.407 -11.393 3.400 1.00 0.00 C ATOM 955 C THR A 67 7.169 -10.319 2.621 1.00 0.00 C ATOM 956 O THR A 67 6.602 -9.288 2.262 1.00 0.00 O ATOM 957 CB THR A 67 6.051 -12.619 2.556 1.00 0.00 C ATOM 958 OG1 THR A 67 4.840 -12.250 1.903 1.00 0.00 O ATOM 959 CG2 THR A 67 5.661 -13.826 3.411 1.00 0.00 C ATOM 0 H THR A 67 4.328 -11.133 3.449 1.00 0.00 H new ATOM 0 HA THR A 67 7.081 -11.713 4.195 1.00 0.00 H new ATOM 0 HB THR A 67 6.898 -12.882 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.039 -11.947 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.418 -14.668 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.494 -14.096 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.793 -13.575 4.020 1.00 0.00 H new ATOM 967 N PRO A 68 8.476 -10.605 2.376 1.00 0.00 N ATOM 968 CA PRO A 68 9.321 -9.676 1.646 1.00 0.00 C ATOM 969 C PRO A 68 8.999 -9.701 0.151 1.00 0.00 C ATOM 970 O PRO A 68 9.155 -8.693 -0.538 1.00 0.00 O ATOM 971 CB PRO A 68 10.744 -10.113 1.955 1.00 0.00 C ATOM 972 CG PRO A 68 10.640 -11.541 2.464 1.00 0.00 C ATOM 973 CD PRO A 68 9.180 -11.816 2.786 1.00 0.00 C ATOM 0 HA PRO A 68 9.163 -8.640 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.371 -10.060 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.198 -9.464 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.004 -12.242 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.259 -11.676 3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.813 -12.689 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.039 -12.015 3.848 1.00 0.00 H new ATOM 981 N GLU A 69 8.556 -10.862 -0.308 1.00 0.00 N ATOM 982 CA GLU A 69 8.211 -11.031 -1.709 1.00 0.00 C ATOM 983 C GLU A 69 6.874 -10.353 -2.012 1.00 0.00 C ATOM 984 O GLU A 69 6.563 -10.073 -3.169 1.00 0.00 O ATOM 985 CB GLU A 69 8.174 -12.513 -2.089 1.00 0.00 C ATOM 986 CG GLU A 69 9.408 -12.901 -2.906 1.00 0.00 C ATOM 987 CD GLU A 69 9.301 -14.341 -3.410 1.00 0.00 C ATOM 988 OE1 GLU A 69 8.232 -14.669 -3.968 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.291 -15.082 -3.226 1.00 0.00 O ATOM 0 H GLU A 69 8.428 -11.695 0.266 1.00 0.00 H new ATOM 0 HA GLU A 69 8.982 -10.554 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.125 -13.122 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.272 -12.722 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.516 -12.223 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.303 -12.792 -2.294 1.00 0.00 H new ATOM 996 N SER A 70 6.117 -10.109 -0.952 1.00 0.00 N ATOM 997 CA SER A 70 4.820 -9.469 -1.090 1.00 0.00 C ATOM 998 C SER A 70 4.967 -7.952 -0.951 1.00 0.00 C ATOM 999 O SER A 70 4.274 -7.193 -1.626 1.00 0.00 O ATOM 1000 CB SER A 70 3.829 -10.003 -0.054 1.00 0.00 C ATOM 1001 OG SER A 70 3.682 -11.418 -0.136 1.00 0.00 O ATOM 0 H SER A 70 6.377 -10.343 0.006 1.00 0.00 H new ATOM 0 HA SER A 70 4.429 -9.700 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.168 -9.731 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.859 -9.528 -0.202 1.00 0.00 H new ATOM 0 HG SER A 70 3.498 -11.780 0.756 1.00 0.00 H new ATOM 1007 N VAL A 71 5.874 -7.556 -0.070 1.00 0.00 N ATOM 1008 CA VAL A 71 6.121 -6.144 0.166 1.00 0.00 C ATOM 1009 C VAL A 71 6.601 -5.490 -1.131 1.00 0.00 C ATOM 1010 O VAL A 71 6.218 -4.363 -1.441 1.00 0.00 O ATOM 1011 CB VAL A 71 7.108 -5.972 1.323 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.573 -4.518 1.435 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.499 -6.455 2.640 1.00 0.00 C ATOM 0 H VAL A 71 6.447 -8.188 0.489 1.00 0.00 H new ATOM 0 HA VAL A 71 5.201 -5.640 0.463 1.00 0.00 H new ATOM 0 HB VAL A 71 7.982 -6.589 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.273 -4.423 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.065 -4.221 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.712 -3.873 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.221 -6.322 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.601 -5.878 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.240 -7.511 2.556 1.00 0.00 H new ATOM 1023 N GLN A 72 7.432 -6.226 -1.855 1.00 0.00 N ATOM 1024 CA GLN A 72 7.968 -5.732 -3.112 1.00 0.00 C ATOM 1025 C GLN A 72 6.880 -5.727 -4.187 1.00 0.00 C ATOM 1026 O GLN A 72 6.572 -4.683 -4.759 1.00 0.00 O ATOM 1027 CB GLN A 72 9.175 -6.560 -3.557 1.00 0.00 C ATOM 1028 CG GLN A 72 10.484 -5.824 -3.264 1.00 0.00 C ATOM 1029 CD GLN A 72 10.982 -6.131 -1.850 1.00 0.00 C ATOM 1030 OE1 GLN A 72 10.705 -5.419 -0.899 1.00 0.00 O ATOM 1031 NE2 GLN A 72 11.730 -7.227 -1.767 1.00 0.00 N ATOM 0 H GLN A 72 7.747 -7.161 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 72 8.308 -4.707 -2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.171 -7.521 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.103 -6.770 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.241 -6.117 -3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.334 -4.750 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.923 -7.777 -2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.111 -7.518 -0.866 1.00 0.00 H new ATOM 1040 N SER A 73 6.328 -6.907 -4.431 1.00 0.00 N ATOM 1041 CA SER A 73 5.281 -7.052 -5.428 1.00 0.00 C ATOM 1042 C SER A 73 4.222 -5.964 -5.236 1.00 0.00 C ATOM 1043 O SER A 73 3.869 -5.263 -6.183 1.00 0.00 O ATOM 1044 CB SER A 73 4.637 -8.438 -5.353 1.00 0.00 C ATOM 1045 OG SER A 73 5.612 -9.477 -5.312 1.00 0.00 O ATOM 0 H SER A 73 6.586 -7.771 -3.955 1.00 0.00 H new ATOM 0 HA SER A 73 5.731 -6.943 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.006 -8.497 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.988 -8.584 -6.216 1.00 0.00 H new ATOM 0 HG SER A 73 5.554 -9.947 -4.454 1.00 0.00 H new ATOM 1051 N ALA A 74 3.745 -5.857 -4.005 1.00 0.00 N ATOM 1052 CA ALA A 74 2.734 -4.867 -3.677 1.00 0.00 C ATOM 1053 C ALA A 74 3.272 -3.470 -3.995 1.00 0.00 C ATOM 1054 O ALA A 74 2.630 -2.701 -4.709 1.00 0.00 O ATOM 1055 CB ALA A 74 2.330 -5.015 -2.209 1.00 0.00 C ATOM 0 H ALA A 74 4.040 -6.440 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 74 1.838 -5.021 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.571 -4.272 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.927 -6.014 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.203 -4.865 -1.574 1.00 0.00 H new ATOM 1061 N LYS A 75 4.446 -3.185 -3.450 1.00 0.00 N ATOM 1062 CA LYS A 75 5.077 -1.894 -3.666 1.00 0.00 C ATOM 1063 C LYS A 75 4.987 -1.530 -5.149 1.00 0.00 C ATOM 1064 O LYS A 75 4.601 -0.414 -5.496 1.00 0.00 O ATOM 1065 CB LYS A 75 6.507 -1.899 -3.120 1.00 0.00 C ATOM 1066 CG LYS A 75 6.532 -1.488 -1.646 1.00 0.00 C ATOM 1067 CD LYS A 75 7.822 -1.953 -0.969 1.00 0.00 C ATOM 1068 CE LYS A 75 9.020 -1.130 -1.449 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.384 -1.503 -2.834 1.00 0.00 N ATOM 0 H LYS A 75 4.976 -3.826 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 75 4.552 -1.115 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.939 -2.893 -3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.125 -1.216 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.445 -0.404 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.672 -1.916 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.723 -1.861 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.991 -3.008 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.781 -0.068 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.870 -1.294 -0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.417 -1.596 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.936 -2.409 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.054 -0.766 -3.490 1.00 0.00 H new ATOM 1083 N ARG A 76 5.350 -2.491 -5.986 1.00 0.00 N ATOM 1084 CA ARG A 76 5.315 -2.285 -7.423 1.00 0.00 C ATOM 1085 C ARG A 76 3.920 -1.836 -7.862 1.00 0.00 C ATOM 1086 O ARG A 76 3.776 -0.818 -8.538 1.00 0.00 O ATOM 1087 CB ARG A 76 5.689 -3.566 -8.173 1.00 0.00 C ATOM 1088 CG ARG A 76 7.118 -4.000 -7.837 1.00 0.00 C ATOM 1089 CD ARG A 76 8.122 -3.385 -8.814 1.00 0.00 C ATOM 1090 NE ARG A 76 9.271 -4.299 -9.001 1.00 0.00 N ATOM 1091 CZ ARG A 76 10.273 -4.079 -9.863 1.00 0.00 C ATOM 1092 NH1 ARG A 76 10.274 -2.975 -10.621 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.275 -4.963 -9.965 1.00 0.00 N ATOM 0 H ARG A 76 5.670 -3.415 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 76 6.043 -1.510 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.992 -4.362 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.597 -3.403 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.364 -3.698 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.190 -5.087 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.639 -3.194 -9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.469 -2.424 -8.435 1.00 0.00 H new ATOM 0 HE ARG A 76 9.302 -5.149 -8.439 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.512 -2.302 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.037 -2.808 -11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.275 -5.803 -9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.038 -4.796 -10.621 1.00 0.00 H new ATOM 1107 N LEU A 77 2.928 -2.616 -7.458 1.00 0.00 N ATOM 1108 CA LEU A 77 1.549 -2.311 -7.801 1.00 0.00 C ATOM 1109 C LEU A 77 1.225 -0.880 -7.367 1.00 0.00 C ATOM 1110 O LEU A 77 0.417 -0.203 -8.000 1.00 0.00 O ATOM 1111 CB LEU A 77 0.606 -3.361 -7.211 1.00 0.00 C ATOM 1112 CG LEU A 77 0.564 -4.708 -7.935 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.104 -5.822 -6.994 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.301 -4.627 -9.194 1.00 0.00 C ATOM 0 H LEU A 77 3.052 -3.459 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 77 1.405 -2.357 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.894 -3.537 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.402 -2.947 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 77 1.576 -4.955 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.083 -6.769 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.795 -5.898 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.895 -5.594 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.314 -5.598 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.318 -4.346 -8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.111 -3.879 -9.871 1.00 0.00 H new ATOM 1126 N LEU A 78 1.873 -0.461 -6.289 1.00 0.00 N ATOM 1127 CA LEU A 78 1.663 0.877 -5.763 1.00 0.00 C ATOM 1128 C LEU A 78 2.374 1.891 -6.662 1.00 0.00 C ATOM 1129 O LEU A 78 1.726 2.708 -7.314 1.00 0.00 O ATOM 1130 CB LEU A 78 2.093 0.949 -4.296 1.00 0.00 C ATOM 1131 CG LEU A 78 1.253 0.134 -3.310 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.764 0.308 -1.879 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.232 0.483 -3.435 1.00 0.00 C ATOM 0 H LEU A 78 2.543 -1.025 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 78 0.603 1.129 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.128 0.614 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.073 1.993 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 78 1.358 -0.921 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.149 -0.282 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.799 -0.030 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.709 1.360 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.806 -0.110 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.376 1.543 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.573 0.265 -4.447 1.00 0.00 H new ATOM 1145 N ASP A 79 3.696 1.804 -6.667 1.00 0.00 N ATOM 1146 CA ASP A 79 4.501 2.704 -7.476 1.00 0.00 C ATOM 1147 C ASP A 79 3.884 2.819 -8.871 1.00 0.00 C ATOM 1148 O ASP A 79 3.692 3.922 -9.379 1.00 0.00 O ATOM 1149 CB ASP A 79 5.929 2.175 -7.632 1.00 0.00 C ATOM 1150 CG ASP A 79 6.895 3.123 -8.346 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.604 3.454 -9.515 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.902 3.494 -7.706 1.00 0.00 O ATOM 0 H ASP A 79 4.230 1.125 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 79 4.528 3.673 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.328 1.951 -6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.894 1.234 -8.182 1.00 0.00 H new ATOM 1157 N GLN A 80 3.591 1.664 -9.451 1.00 0.00 N ATOM 1158 CA GLN A 80 3.000 1.622 -10.777 1.00 0.00 C ATOM 1159 C GLN A 80 1.925 2.703 -10.914 1.00 0.00 C ATOM 1160 O GLN A 80 1.993 3.540 -11.813 1.00 0.00 O ATOM 1161 CB GLN A 80 2.425 0.236 -11.077 1.00 0.00 C ATOM 1162 CG GLN A 80 3.363 -0.562 -11.985 1.00 0.00 C ATOM 1163 CD GLN A 80 2.577 -1.304 -13.068 1.00 0.00 C ATOM 1164 OE1 GLN A 80 1.384 -1.122 -13.241 1.00 0.00 O ATOM 1165 NE2 GLN A 80 3.312 -2.149 -13.786 1.00 0.00 N ATOM 0 H GLN A 80 3.752 0.751 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 80 3.783 1.821 -11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.268 -0.306 -10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.451 0.338 -11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.084 0.110 -12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.931 -1.276 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.307 -2.254 -13.589 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.880 -2.692 -14.534 1.00 0.00 H new ATOM 1174 N ILE A 81 0.959 2.649 -10.010 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.128 3.613 -10.019 1.00 0.00 C ATOM 1176 C ILE A 81 0.448 5.024 -10.161 1.00 0.00 C ATOM 1177 O ILE A 81 -0.008 5.802 -10.997 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.015 3.432 -8.785 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.978 2.258 -8.969 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.751 4.730 -8.444 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.825 2.041 -7.713 1.00 0.00 C ATOM 0 H ILE A 81 0.906 1.953 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.778 3.446 -10.878 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.375 3.192 -7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.629 2.447 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.414 1.352 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.374 4.574 -7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.025 5.517 -8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.379 5.024 -9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.501 1.201 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.172 1.828 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.406 2.940 -7.506 1.00 0.00 H new ATOM 1193 N VAL A 82 1.440 5.309 -9.331 1.00 0.00 N ATOM 1194 CA VAL A 82 2.083 6.612 -9.354 1.00 0.00 C ATOM 1195 C VAL A 82 2.763 6.817 -10.709 1.00 0.00 C ATOM 1196 O VAL A 82 2.469 7.780 -11.416 1.00 0.00 O ATOM 1197 CB VAL A 82 3.049 6.740 -8.175 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.709 8.120 -8.153 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.340 6.450 -6.851 1.00 0.00 C ATOM 0 H VAL A 82 1.814 4.660 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 82 1.344 7.404 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 82 3.835 5.996 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.391 8.184 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.265 8.272 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.942 8.889 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.049 6.548 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.524 7.159 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.941 5.436 -6.867 1.00 0.00 H new ATOM 1209 N GLU A 83 3.659 5.896 -11.031 1.00 0.00 N ATOM 1210 CA GLU A 83 4.383 5.963 -12.289 1.00 0.00 C ATOM 1211 C GLU A 83 3.410 6.171 -13.451 1.00 0.00 C ATOM 1212 O GLU A 83 3.668 6.976 -14.345 1.00 0.00 O ATOM 1213 CB GLU A 83 5.230 4.707 -12.502 1.00 0.00 C ATOM 1214 CG GLU A 83 6.363 4.972 -13.495 1.00 0.00 C ATOM 1215 CD GLU A 83 7.062 3.669 -13.890 1.00 0.00 C ATOM 1216 OE1 GLU A 83 7.199 2.805 -12.996 1.00 0.00 O ATOM 1217 OE2 GLU A 83 7.444 3.566 -15.075 1.00 0.00 O ATOM 0 H GLU A 83 3.900 5.099 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 83 5.060 6.816 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.646 4.379 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.600 3.897 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.965 5.459 -14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.086 5.657 -13.053 1.00 0.00 H new ATOM 1224 N LYS A 84 2.312 5.432 -13.401 1.00 0.00 N ATOM 1225 CA LYS A 84 1.299 5.525 -14.439 1.00 0.00 C ATOM 1226 C LYS A 84 0.675 6.922 -14.412 1.00 0.00 C ATOM 1227 O LYS A 84 0.400 7.503 -15.461 1.00 0.00 O ATOM 1228 CB LYS A 84 0.279 4.394 -14.295 1.00 0.00 C ATOM 1229 CG LYS A 84 0.475 3.338 -15.385 1.00 0.00 C ATOM 1230 CD LYS A 84 0.289 1.927 -14.821 1.00 0.00 C ATOM 1231 CE LYS A 84 -1.180 1.662 -14.485 1.00 0.00 C ATOM 1232 NZ LYS A 84 -1.771 0.714 -15.456 1.00 0.00 N ATOM 0 H LYS A 84 2.101 4.766 -12.658 1.00 0.00 H new ATOM 0 HA LYS A 84 1.749 5.394 -15.423 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.379 3.932 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.731 4.800 -14.354 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.237 3.507 -16.193 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.472 3.434 -15.814 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.638 1.192 -15.546 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.899 1.806 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.261 1.257 -13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.737 2.599 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.768 0.545 -15.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.711 1.115 -16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.250 -0.185 -15.424 1.00 0.00 H new ATOM 1246 N GLY A 85 0.470 7.421 -13.202 1.00 0.00 N ATOM 1247 CA GLY A 85 -0.116 8.739 -13.025 1.00 0.00 C ATOM 1248 C GLY A 85 0.896 9.711 -12.415 1.00 0.00 C ATOM 1249 O GLY A 85 0.659 10.267 -11.343 1.00 0.00 O ATOM 0 H GLY A 85 0.699 6.936 -12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.458 9.121 -13.987 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.992 8.668 -12.380 1.00 0.00 H new ATOM 1253 N ARG A 86 2.001 9.887 -13.123 1.00 0.00 N ATOM 1254 CA ARG A 86 3.049 10.783 -12.665 1.00 0.00 C ATOM 1255 C ARG A 86 2.897 12.158 -13.319 1.00 0.00 C ATOM 1256 O ARG A 86 3.021 13.184 -12.653 1.00 0.00 O ATOM 1257 CB ARG A 86 4.435 10.222 -12.990 1.00 0.00 C ATOM 1258 CG ARG A 86 5.178 9.821 -11.714 1.00 0.00 C ATOM 1259 CD ARG A 86 6.634 10.287 -11.758 1.00 0.00 C ATOM 1260 NE ARG A 86 7.519 9.236 -11.207 1.00 0.00 N ATOM 1261 CZ ARG A 86 8.842 9.374 -11.051 1.00 0.00 C ATOM 1262 NH1 ARG A 86 9.443 10.519 -11.404 1.00 0.00 N ATOM 1263 NH2 ARG A 86 9.566 8.367 -10.542 1.00 0.00 N ATOM 0 H ARG A 86 2.194 9.424 -14.011 1.00 0.00 H new ATOM 0 HA ARG A 86 2.953 10.879 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.336 9.356 -13.645 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.015 10.968 -13.533 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.680 10.255 -10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.142 8.738 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.921 10.514 -12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.747 11.207 -11.185 1.00 0.00 H new ATOM 0 HE ARG A 86 7.095 8.351 -10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.893 11.285 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.451 10.624 -11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.109 7.495 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.574 8.472 -10.423 1.00 0.00 H new ATOM 1277 N SER A 87 2.630 12.133 -14.617 1.00 0.00 N ATOM 1278 CA SER A 87 2.459 13.365 -15.369 1.00 0.00 C ATOM 1279 C SER A 87 1.382 13.179 -16.439 1.00 0.00 C ATOM 1280 O SER A 87 1.497 12.305 -17.296 1.00 0.00 O ATOM 1281 CB SER A 87 3.776 13.805 -16.012 1.00 0.00 C ATOM 1282 OG SER A 87 3.851 15.220 -16.159 1.00 0.00 O ATOM 0 H SER A 87 2.528 11.280 -15.167 1.00 0.00 H new ATOM 0 HA SER A 87 2.144 14.147 -14.678 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.611 13.459 -15.402 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.878 13.333 -16.989 1.00 0.00 H new ATOM 0 HG SER A 87 4.707 15.461 -16.571 1.00 0.00 H new ATOM 1288 N GLY A 88 0.358 14.017 -16.355 1.00 0.00 N ATOM 1289 CA GLY A 88 -0.739 13.956 -17.306 1.00 0.00 C ATOM 1290 C GLY A 88 -2.065 13.677 -16.596 1.00 0.00 C ATOM 1291 O GLY A 88 -2.365 12.532 -16.260 1.00 0.00 O ATOM 0 H GLY A 88 0.265 14.741 -15.643 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.805 14.898 -17.851 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.545 13.175 -18.041 1.00 0.00 H new ATOM 1295 N PRO A 89 -2.844 14.771 -16.382 1.00 0.00 N ATOM 1296 CA PRO A 89 -4.131 14.655 -15.718 1.00 0.00 C ATOM 1297 C PRO A 89 -5.179 14.049 -16.654 1.00 0.00 C ATOM 1298 O PRO A 89 -5.702 14.734 -17.532 1.00 0.00 O ATOM 1299 CB PRO A 89 -4.475 16.069 -15.277 1.00 0.00 C ATOM 1300 CG PRO A 89 -3.600 16.990 -16.112 1.00 0.00 C ATOM 1301 CD PRO A 89 -2.521 16.142 -16.766 1.00 0.00 C ATOM 0 HA PRO A 89 -4.103 13.981 -14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.532 16.282 -15.438 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.281 16.204 -14.213 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.196 17.500 -16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.152 17.762 -15.486 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.526 16.261 -17.849 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.528 16.427 -16.418 1.00 0.00 H new ATOM 1309 N SER A 90 -5.454 12.772 -16.436 1.00 0.00 N ATOM 1310 CA SER A 90 -6.429 12.066 -17.249 1.00 0.00 C ATOM 1311 C SER A 90 -6.080 12.215 -18.731 1.00 0.00 C ATOM 1312 O SER A 90 -6.447 13.204 -19.363 1.00 0.00 O ATOM 1313 CB SER A 90 -7.845 12.583 -16.983 1.00 0.00 C ATOM 1314 OG SER A 90 -8.828 11.832 -17.689 1.00 0.00 O ATOM 0 H SER A 90 -5.018 12.207 -15.707 1.00 0.00 H new ATOM 0 HA SER A 90 -6.400 11.010 -16.979 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.053 12.538 -15.914 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.910 13.631 -17.276 1.00 0.00 H new ATOM 0 HG SER A 90 -9.718 12.192 -17.492 1.00 0.00 H new ATOM 1320 N SER A 91 -5.375 11.217 -19.243 1.00 0.00 N ATOM 1321 CA SER A 91 -4.972 11.224 -20.639 1.00 0.00 C ATOM 1322 C SER A 91 -6.205 11.115 -21.540 1.00 0.00 C ATOM 1323 O SER A 91 -6.436 11.976 -22.387 1.00 0.00 O ATOM 1324 CB SER A 91 -3.996 10.084 -20.936 1.00 0.00 C ATOM 1325 OG SER A 91 -3.543 10.108 -22.287 1.00 0.00 O ATOM 0 H SER A 91 -5.072 10.398 -18.716 1.00 0.00 H new ATOM 0 HA SER A 91 -4.462 12.165 -20.843 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.140 10.156 -20.265 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.481 9.129 -20.733 1.00 0.00 H new ATOM 0 HG SER A 91 -2.921 9.366 -22.437 1.00 0.00 H new ATOM 1331 N GLY A 92 -6.963 10.050 -21.325 1.00 0.00 N ATOM 1332 CA GLY A 92 -8.165 9.817 -22.107 1.00 0.00 C ATOM 1333 C GLY A 92 -9.421 10.051 -21.264 1.00 0.00 C ATOM 1334 O GLY A 92 -9.967 11.153 -21.250 1.00 0.00 O ATOM 0 H GLY A 92 -6.768 9.339 -20.620 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.175 10.480 -22.972 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.163 8.796 -22.488 1.00 0.00 H new TER 1338 GLY A 92