USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot 144:sc= 1.36 USER MOD Set 1.2: A 38 CYS SG : rot 180:sc= 0.187 USER MOD Set 1.3: A 41 CYS SG : rot -150:sc= -0.12 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 160:sc= 0.00631 (180deg=0) USER MOD Set 2.2: A 59 THR OG1 : rot -43:sc= 0.00721 USER MOD Set 3.1: A 9 CYS SG : rot 75:sc= -1.93! USER MOD Set 3.2: A 14 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0148 K(o=-0.015,f=-0.62) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.721) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc=-0.00795 (180deg=-0.0239) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 166:sc= -0.816 (180deg=-2.1) USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.441 USER MOD Single : A 87 LYS NZ :NH3+ -127:sc= -0.261 (180deg=-0.39) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 30:sc= 0.761 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.61) USER MOD Single : A 112 THR OG1 : rot 112:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.768 10.145 17.149 1.00 0.00 N ATOM 2 CA ALA A 1 -10.841 9.010 16.778 1.00 0.00 C ATOM 3 C ALA A 1 -11.231 8.332 15.422 1.00 0.00 C ATOM 4 O ALA A 1 -12.085 7.486 15.309 1.00 0.00 O ATOM 5 CB ALA A 1 -10.825 7.999 17.932 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.465 10.559 18.054 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.738 10.874 16.408 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.739 9.784 17.241 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.839 9.411 16.624 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.161 7.172 17.682 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.470 8.488 18.839 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.833 7.618 18.096 1.00 0.00 H new ATOM 12 N GLU A 2 -10.614 8.852 14.405 1.00 0.00 N ATOM 13 CA GLU A 2 -10.987 8.634 12.988 1.00 0.00 C ATOM 14 C GLU A 2 -9.636 8.474 12.262 1.00 0.00 C ATOM 15 O GLU A 2 -8.825 9.389 12.106 1.00 0.00 O ATOM 16 CB GLU A 2 -11.861 9.766 12.398 1.00 0.00 C ATOM 17 CG GLU A 2 -12.434 9.443 10.986 1.00 0.00 C ATOM 18 CD GLU A 2 -13.594 10.412 10.625 1.00 0.00 C ATOM 19 OE1 GLU A 2 -13.419 11.548 10.156 1.00 0.00 O ATOM 20 OE2 GLU A 2 -14.802 9.820 10.854 1.00 0.00 O ATOM 0 H GLU A 2 -9.806 9.465 14.513 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.624 7.757 12.870 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.688 9.967 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.268 10.678 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.643 9.523 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.793 8.414 10.961 1.00 0.00 H new ATOM 28 N GLU A 3 -9.411 7.256 11.739 1.00 0.00 N ATOM 29 CA GLU A 3 -8.090 6.778 11.236 1.00 0.00 C ATOM 30 C GLU A 3 -8.140 5.722 10.109 1.00 0.00 C ATOM 31 O GLU A 3 -8.977 4.867 10.029 1.00 0.00 O ATOM 32 CB GLU A 3 -7.053 6.567 12.353 1.00 0.00 C ATOM 33 CG GLU A 3 -7.145 5.303 13.173 1.00 0.00 C ATOM 34 CD GLU A 3 -5.969 5.183 14.159 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.962 5.807 15.225 1.00 0.00 O ATOM 36 OE2 GLU A 3 -4.952 4.371 13.708 1.00 0.00 O ATOM 0 H GLU A 3 -10.148 6.557 11.648 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.681 7.618 10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.062 6.600 11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.120 7.414 13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.085 5.293 13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.155 4.438 12.510 1.00 0.00 H new ATOM 44 N GLY A 4 -7.010 5.759 9.358 1.00 0.00 N ATOM 45 CA GLY A 4 -6.582 4.565 8.544 1.00 0.00 C ATOM 46 C GLY A 4 -6.239 3.253 9.324 1.00 0.00 C ATOM 47 O GLY A 4 -6.147 3.248 10.563 1.00 0.00 O ATOM 0 H GLY A 4 -6.390 6.566 9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.377 4.338 7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.706 4.850 7.961 1.00 0.00 H new ATOM 51 N GLN A 5 -6.060 2.162 8.553 1.00 0.00 N ATOM 52 CA GLN A 5 -6.042 0.802 9.110 1.00 0.00 C ATOM 53 C GLN A 5 -5.113 -0.086 8.214 1.00 0.00 C ATOM 54 O GLN A 5 -5.463 -0.543 7.109 1.00 0.00 O ATOM 55 CB GLN A 5 -7.544 0.359 9.247 1.00 0.00 C ATOM 56 CG GLN A 5 -8.278 0.141 7.845 1.00 0.00 C ATOM 57 CD GLN A 5 -9.833 0.514 7.683 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.744 -0.261 7.605 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.075 1.812 7.639 1.00 0.00 N ATOM 0 H GLN A 5 -5.926 2.200 7.543 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.610 0.714 10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.590 -0.568 9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.086 1.113 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.728 0.715 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.168 -0.911 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.304 2.477 7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.032 2.149 7.539 1.00 0.00 H new ATOM 68 N VAL A 6 -3.967 -0.398 8.822 1.00 0.00 N ATOM 69 CA VAL A 6 -2.905 -1.337 8.326 1.00 0.00 C ATOM 70 C VAL A 6 -3.353 -2.798 8.694 1.00 0.00 C ATOM 71 O VAL A 6 -3.625 -3.143 9.884 1.00 0.00 O ATOM 72 CB VAL A 6 -1.531 -0.981 8.998 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.376 -1.916 8.590 1.00 0.00 C ATOM 74 CG2 VAL A 6 -1.122 0.472 8.591 1.00 0.00 C ATOM 0 H VAL A 6 -3.721 0.009 9.725 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.778 -1.253 7.247 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.684 -1.089 10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.539 -1.606 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.619 -2.940 8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.230 -1.865 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.169 0.725 9.055 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.026 0.533 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.886 1.173 8.927 1.00 0.00 H new ATOM 84 N ILE A 7 -3.372 -3.643 7.630 1.00 0.00 N ATOM 85 CA ILE A 7 -3.777 -5.040 7.588 1.00 0.00 C ATOM 86 C ILE A 7 -2.579 -5.773 6.778 1.00 0.00 C ATOM 87 O ILE A 7 -2.281 -5.499 5.539 1.00 0.00 O ATOM 88 CB ILE A 7 -5.255 -5.247 7.108 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.936 -6.507 7.758 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.562 -5.088 5.610 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.502 -7.922 7.420 1.00 0.00 C ATOM 0 H ILE A 7 -3.076 -3.319 6.709 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.871 -5.513 8.566 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.742 -4.358 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.834 -6.397 8.838 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.000 -6.442 7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.624 -5.261 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.302 -4.079 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.978 -5.811 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.107 -8.632 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.635 -8.098 6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.452 -8.053 7.681 1.00 0.00 H new ATOM 103 N ALA A 8 -2.059 -6.884 7.361 1.00 0.00 N ATOM 104 CA ALA A 8 -1.285 -7.960 6.660 1.00 0.00 C ATOM 105 C ALA A 8 -2.091 -8.808 5.670 1.00 0.00 C ATOM 106 O ALA A 8 -3.248 -9.180 5.937 1.00 0.00 O ATOM 107 CB ALA A 8 -0.743 -8.740 7.809 1.00 0.00 C ATOM 0 H ALA A 8 -2.165 -7.068 8.359 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.522 -7.556 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.146 -9.572 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.118 -8.094 8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.568 -9.126 8.408 1.00 0.00 H new ATOM 113 N CYS A 9 -1.343 -9.274 4.642 1.00 0.00 N ATOM 114 CA CYS A 9 -1.939 -9.834 3.401 1.00 0.00 C ATOM 115 C CYS A 9 -0.927 -10.904 2.877 1.00 0.00 C ATOM 116 O CYS A 9 0.251 -10.691 2.615 1.00 0.00 O ATOM 117 CB CYS A 9 -2.037 -8.702 2.334 1.00 0.00 C ATOM 118 SG CYS A 9 -3.374 -7.559 2.831 1.00 0.00 S ATOM 0 H CYS A 9 -0.323 -9.274 4.646 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.928 -10.254 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.090 -8.168 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.244 -9.124 1.351 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.966 -6.817 3.817 1.00 0.00 H new ATOM 124 N HIS A 10 -1.493 -12.085 2.696 1.00 0.00 N ATOM 125 CA HIS A 10 -0.898 -13.442 2.590 1.00 0.00 C ATOM 126 C HIS A 10 -1.283 -14.216 1.222 1.00 0.00 C ATOM 127 O HIS A 10 -0.423 -14.896 0.753 1.00 0.00 O ATOM 128 CB HIS A 10 -1.243 -14.343 3.821 1.00 0.00 C ATOM 129 CG HIS A 10 -1.086 -13.611 5.207 1.00 0.00 C ATOM 130 ND1 HIS A 10 -2.137 -13.103 5.915 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.090 -13.420 5.980 1.00 0.00 C ATOM 132 CE1 HIS A 10 -1.526 -12.676 7.058 1.00 0.00 C ATOM 133 NE2 HIS A 10 -0.183 -12.834 7.265 1.00 0.00 N ATOM 0 H HIS A 10 -2.508 -12.141 2.607 1.00 0.00 H new ATOM 0 HA HIS A 10 0.178 -13.266 2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.268 -14.699 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.598 -15.221 3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.080 -13.685 5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.121 -12.199 7.823 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.418 -12.612 8.058 1.00 0.00 H new ATOM 141 N THR A 11 -2.527 -14.161 0.712 1.00 0.00 N ATOM 142 CA THR A 11 -3.078 -15.008 -0.354 1.00 0.00 C ATOM 143 C THR A 11 -4.169 -14.174 -1.160 1.00 0.00 C ATOM 144 O THR A 11 -4.266 -12.957 -1.004 1.00 0.00 O ATOM 145 CB THR A 11 -3.582 -16.366 0.240 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.791 -16.208 0.967 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.587 -17.268 1.000 1.00 0.00 C ATOM 0 H THR A 11 -3.210 -13.485 1.054 1.00 0.00 H new ATOM 0 HA THR A 11 -2.314 -15.290 -1.078 1.00 0.00 H new ATOM 0 HB THR A 11 -3.750 -16.940 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.076 -17.076 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.100 -18.166 1.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.770 -17.548 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.188 -16.727 1.858 1.00 0.00 H new ATOM 155 N VAL A 12 -4.918 -14.859 -2.062 1.00 0.00 N ATOM 156 CA VAL A 12 -6.086 -14.308 -2.799 1.00 0.00 C ATOM 157 C VAL A 12 -7.280 -13.789 -1.910 1.00 0.00 C ATOM 158 O VAL A 12 -8.116 -13.029 -2.417 1.00 0.00 O ATOM 159 CB VAL A 12 -6.508 -15.474 -3.858 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.032 -16.781 -3.254 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.636 -14.933 -4.810 1.00 0.00 C ATOM 0 H VAL A 12 -4.723 -15.831 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.804 -13.382 -3.301 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.575 -15.714 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.280 -17.478 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.266 -17.220 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.924 -16.576 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.919 -15.712 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.506 -14.648 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.267 -14.064 -5.355 1.00 0.00 H new ATOM 171 N ASP A 13 -7.320 -14.050 -0.600 1.00 0.00 N ATOM 172 CA ASP A 13 -8.007 -13.220 0.351 1.00 0.00 C ATOM 173 C ASP A 13 -7.569 -11.696 0.385 1.00 0.00 C ATOM 174 O ASP A 13 -8.584 -10.947 0.488 1.00 0.00 O ATOM 175 CB ASP A 13 -7.674 -13.830 1.764 1.00 0.00 C ATOM 176 CG ASP A 13 -8.505 -15.014 2.272 1.00 0.00 C ATOM 177 OD1 ASP A 13 -8.211 -16.202 2.155 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.690 -14.664 2.836 1.00 0.00 O ATOM 0 H ASP A 13 -6.864 -14.860 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.060 -13.216 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.629 -14.141 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.759 -13.028 2.498 1.00 0.00 H new ATOM 184 N THR A 14 -6.312 -11.262 0.257 1.00 0.00 N ATOM 185 CA THR A 14 -5.974 -9.860 -0.174 1.00 0.00 C ATOM 186 C THR A 14 -6.672 -9.351 -1.541 1.00 0.00 C ATOM 187 O THR A 14 -7.182 -8.230 -1.560 1.00 0.00 O ATOM 188 CB THR A 14 -4.482 -9.626 -0.281 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.311 -8.318 0.112 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.747 -9.817 -1.632 1.00 0.00 C ATOM 0 H THR A 14 -5.496 -11.845 0.441 1.00 0.00 H new ATOM 0 HA THR A 14 -6.397 -9.266 0.636 1.00 0.00 H new ATOM 0 HB THR A 14 -4.029 -10.413 0.322 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.267 -8.273 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.686 -9.602 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.870 -10.846 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.167 -9.138 -2.374 1.00 0.00 H new ATOM 198 N TRP A 15 -6.833 -10.202 -2.615 1.00 0.00 N ATOM 199 CA TRP A 15 -7.743 -9.902 -3.774 1.00 0.00 C ATOM 200 C TRP A 15 -9.209 -9.506 -3.390 1.00 0.00 C ATOM 201 O TRP A 15 -9.774 -8.571 -3.966 1.00 0.00 O ATOM 202 CB TRP A 15 -7.843 -11.030 -4.877 1.00 0.00 C ATOM 203 CG TRP A 15 -6.787 -10.953 -6.015 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.681 -11.833 -6.261 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.931 -10.157 -7.164 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.962 -11.468 -7.401 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.744 -10.371 -7.962 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.846 -9.194 -7.598 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.587 -9.773 -9.250 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.637 -8.602 -8.819 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.565 -8.929 -9.699 1.00 0.00 C ATOM 0 H TRP A 15 -6.346 -11.094 -2.697 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.227 -9.037 -4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.754 -12.000 -4.388 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.836 -10.989 -5.324 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.433 -12.679 -5.637 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -4.096 -11.872 -7.757 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.695 -8.923 -6.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.717 -9.982 -9.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.332 -7.837 -9.134 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.526 -8.520 -10.698 1.00 0.00 H new ATOM 222 N LYS A 16 -9.897 -10.318 -2.565 1.00 0.00 N ATOM 223 CA LYS A 16 -11.149 -9.852 -1.868 1.00 0.00 C ATOM 224 C LYS A 16 -11.185 -8.495 -1.010 1.00 0.00 C ATOM 225 O LYS A 16 -12.114 -7.696 -1.133 1.00 0.00 O ATOM 226 CB LYS A 16 -11.930 -10.938 -1.097 1.00 0.00 C ATOM 227 CG LYS A 16 -12.119 -12.273 -1.836 1.00 0.00 C ATOM 228 CD LYS A 16 -12.866 -13.405 -1.090 1.00 0.00 C ATOM 229 CE LYS A 16 -12.176 -13.946 0.138 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.872 -15.150 0.647 1.00 0.00 N ATOM 0 H LYS A 16 -9.630 -11.280 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.643 -9.578 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.413 -11.134 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.913 -10.542 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.655 -12.071 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.133 -12.646 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.849 -13.036 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.028 -14.228 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.141 -14.192 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.151 -13.180 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.380 -15.504 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.852 -14.906 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.874 -15.886 -0.087 1.00 0.00 H new ATOM 243 N GLU A 17 -10.055 -8.210 -0.357 1.00 0.00 N ATOM 244 CA GLU A 17 -9.798 -6.934 0.397 1.00 0.00 C ATOM 245 C GLU A 17 -9.556 -5.688 -0.473 1.00 0.00 C ATOM 246 O GLU A 17 -10.298 -4.719 -0.348 1.00 0.00 O ATOM 247 CB GLU A 17 -8.680 -7.105 1.447 1.00 0.00 C ATOM 248 CG GLU A 17 -9.174 -7.740 2.819 1.00 0.00 C ATOM 249 CD GLU A 17 -7.993 -8.118 3.744 1.00 0.00 C ATOM 250 OE1 GLU A 17 -6.893 -8.611 3.418 1.00 0.00 O ATOM 251 OE2 GLU A 17 -8.283 -7.749 5.026 1.00 0.00 O ATOM 0 H GLU A 17 -9.267 -8.856 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.740 -6.736 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.895 -7.735 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.233 -6.132 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.824 -7.031 3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.771 -8.628 2.613 1.00 0.00 H new ATOM 259 N HIS A 18 -8.480 -5.617 -1.302 1.00 0.00 N ATOM 260 CA HIS A 18 -7.879 -4.536 -2.161 1.00 0.00 C ATOM 261 C HIS A 18 -8.752 -3.892 -3.304 1.00 0.00 C ATOM 262 O HIS A 18 -9.048 -2.696 -3.331 1.00 0.00 O ATOM 263 CB HIS A 18 -6.543 -5.117 -2.635 1.00 0.00 C ATOM 264 CG HIS A 18 -5.767 -4.642 -3.856 1.00 0.00 C ATOM 265 ND1 HIS A 18 -6.245 -4.690 -5.159 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.535 -3.990 -3.851 1.00 0.00 C ATOM 267 CE1 HIS A 18 -5.210 -4.098 -5.834 1.00 0.00 C ATOM 268 NE2 HIS A 18 -4.140 -3.628 -5.154 1.00 0.00 N ATOM 0 H HIS A 18 -7.913 -6.459 -1.405 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.773 -3.637 -1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.860 -5.023 -1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.717 -6.182 -2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.957 -3.788 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.249 -4.007 -6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.300 -3.154 -5.485 1.00 0.00 H new ATOM 276 N PHE A 19 -9.203 -4.734 -4.201 1.00 0.00 N ATOM 277 CA PHE A 19 -10.144 -4.463 -5.321 1.00 0.00 C ATOM 278 C PHE A 19 -11.558 -4.049 -4.940 1.00 0.00 C ATOM 279 O PHE A 19 -11.976 -2.964 -5.365 1.00 0.00 O ATOM 280 CB PHE A 19 -10.190 -5.490 -6.428 1.00 0.00 C ATOM 281 CG PHE A 19 -9.899 -4.905 -7.788 1.00 0.00 C ATOM 282 CD1 PHE A 19 -8.542 -4.900 -8.224 1.00 0.00 C ATOM 283 CD2 PHE A 19 -10.932 -4.499 -8.691 1.00 0.00 C ATOM 284 CE1 PHE A 19 -8.238 -4.431 -9.495 1.00 0.00 C ATOM 285 CE2 PHE A 19 -10.594 -4.063 -9.952 1.00 0.00 C ATOM 286 CZ PHE A 19 -9.272 -4.062 -10.383 1.00 0.00 C ATOM 0 H PHE A 19 -8.913 -5.712 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.653 -3.578 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.467 -6.278 -6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.175 -5.956 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.758 -5.257 -7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.967 -4.534 -8.386 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.207 -4.348 -9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.369 -3.715 -10.619 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.036 -3.779 -11.398 1.00 0.00 H new ATOM 296 N GLU A 20 -12.254 -4.807 -4.116 1.00 0.00 N ATOM 297 CA GLU A 20 -13.520 -4.430 -3.422 1.00 0.00 C ATOM 298 C GLU A 20 -13.581 -3.081 -2.670 1.00 0.00 C ATOM 299 O GLU A 20 -14.403 -2.212 -3.092 1.00 0.00 O ATOM 300 CB GLU A 20 -13.978 -5.523 -2.476 1.00 0.00 C ATOM 301 CG GLU A 20 -14.280 -6.931 -3.017 1.00 0.00 C ATOM 302 CD GLU A 20 -15.460 -7.230 -3.867 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.391 -7.483 -5.032 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.607 -7.161 -3.141 1.00 0.00 O ATOM 0 H GLU A 20 -11.957 -5.755 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.188 -4.297 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.212 -5.628 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.881 -5.166 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.402 -7.240 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.347 -7.589 -2.150 1.00 0.00 H new ATOM 312 N LYS A 21 -12.610 -2.853 -1.763 1.00 0.00 N ATOM 313 CA LYS A 21 -12.375 -1.517 -1.092 1.00 0.00 C ATOM 314 C LYS A 21 -12.096 -0.305 -2.121 1.00 0.00 C ATOM 315 O LYS A 21 -12.881 0.631 -2.299 1.00 0.00 O ATOM 316 CB LYS A 21 -11.295 -1.572 0.055 1.00 0.00 C ATOM 317 CG LYS A 21 -11.606 -2.490 1.240 1.00 0.00 C ATOM 318 CD LYS A 21 -12.498 -1.786 2.237 1.00 0.00 C ATOM 319 CE LYS A 21 -12.784 -2.602 3.493 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.735 -2.406 4.547 1.00 0.00 N ATOM 0 H LYS A 21 -11.957 -3.576 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.328 -1.291 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.348 -1.888 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.149 -0.561 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.093 -3.398 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.678 -2.794 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.031 -0.844 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.443 -1.538 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.757 -2.319 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.842 -3.659 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.970 -2.979 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.810 -2.700 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.697 -1.402 4.816 1.00 0.00 H new ATOM 333 N GLY A 22 -11.031 -0.498 -2.904 1.00 0.00 N ATOM 334 CA GLY A 22 -10.584 0.397 -3.958 1.00 0.00 C ATOM 335 C GLY A 22 -11.649 0.883 -4.941 1.00 0.00 C ATOM 336 O GLY A 22 -12.277 1.962 -4.807 1.00 0.00 O ATOM 0 H GLY A 22 -10.435 -1.321 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.127 1.270 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.802 -0.108 -4.525 1.00 0.00 H new ATOM 340 N LYS A 23 -11.895 0.071 -5.910 1.00 0.00 N ATOM 341 CA LYS A 23 -13.070 0.091 -6.770 1.00 0.00 C ATOM 342 C LYS A 23 -14.260 -0.597 -6.042 1.00 0.00 C ATOM 343 O LYS A 23 -14.461 -1.815 -6.080 1.00 0.00 O ATOM 344 CB LYS A 23 -12.767 -0.392 -8.202 1.00 0.00 C ATOM 345 CG LYS A 23 -13.793 0.207 -9.253 1.00 0.00 C ATOM 346 CD LYS A 23 -14.087 -0.611 -10.523 1.00 0.00 C ATOM 347 CE LYS A 23 -12.912 -0.626 -11.511 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.988 0.530 -12.427 1.00 0.00 N ATOM 0 H LYS A 23 -11.250 -0.681 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.389 1.119 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.753 -0.101 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.807 -1.481 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.739 0.375 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.421 1.183 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.331 -1.635 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.966 -0.199 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.970 -0.602 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.924 -1.553 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.939 0.197 -13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.885 1.034 -12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.194 1.174 -12.239 1.00 0.00 H new ATOM 361 N GLY A 24 -14.993 0.273 -5.382 1.00 0.00 N ATOM 362 CA GLY A 24 -16.290 0.055 -4.797 1.00 0.00 C ATOM 363 C GLY A 24 -16.760 1.134 -3.789 1.00 0.00 C ATOM 364 O GLY A 24 -17.970 1.318 -3.663 1.00 0.00 O ATOM 0 H GLY A 24 -14.667 1.228 -5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.024 -0.011 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.283 -0.911 -4.291 1.00 0.00 H new ATOM 368 N SER A 25 -15.801 1.701 -3.110 1.00 0.00 N ATOM 369 CA SER A 25 -15.827 2.537 -1.974 1.00 0.00 C ATOM 370 C SER A 25 -15.138 3.873 -2.528 1.00 0.00 C ATOM 371 O SER A 25 -14.027 3.877 -3.070 1.00 0.00 O ATOM 372 CB SER A 25 -15.250 1.956 -0.700 1.00 0.00 C ATOM 373 OG SER A 25 -15.885 0.737 -0.314 1.00 0.00 O ATOM 0 H SER A 25 -14.836 1.551 -3.404 1.00 0.00 H new ATOM 0 HA SER A 25 -16.835 2.710 -1.597 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.183 1.778 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.351 2.684 0.105 1.00 0.00 H new ATOM 0 HG SER A 25 -15.476 0.402 0.511 1.00 0.00 H new ATOM 379 N GLN A 26 -15.719 4.979 -2.183 1.00 0.00 N ATOM 380 CA GLN A 26 -15.146 6.348 -2.239 1.00 0.00 C ATOM 381 C GLN A 26 -13.992 6.622 -1.169 1.00 0.00 C ATOM 382 O GLN A 26 -14.183 7.378 -0.210 1.00 0.00 O ATOM 383 CB GLN A 26 -16.320 7.391 -2.032 1.00 0.00 C ATOM 384 CG GLN A 26 -17.325 7.434 -3.234 1.00 0.00 C ATOM 385 CD GLN A 26 -18.338 6.319 -3.352 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.933 5.813 -2.368 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.207 5.598 -4.451 1.00 0.00 N ATOM 0 H GLN A 26 -16.674 4.983 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.674 6.455 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.863 7.141 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.894 8.384 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.870 8.376 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.743 7.455 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.728 5.988 -5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.585 4.651 -4.488 1.00 0.00 H new ATOM 396 N LYS A 27 -12.848 6.055 -1.459 1.00 0.00 N ATOM 397 CA LYS A 27 -11.624 6.084 -0.698 1.00 0.00 C ATOM 398 C LYS A 27 -10.415 5.821 -1.689 1.00 0.00 C ATOM 399 O LYS A 27 -10.464 5.151 -2.721 1.00 0.00 O ATOM 400 CB LYS A 27 -11.613 5.100 0.565 1.00 0.00 C ATOM 401 CG LYS A 27 -11.944 3.635 0.273 1.00 0.00 C ATOM 402 CD LYS A 27 -11.846 2.681 1.469 1.00 0.00 C ATOM 403 CE LYS A 27 -12.967 3.000 2.481 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.936 1.966 3.478 1.00 0.00 N ATOM 0 H LYS A 27 -12.740 5.510 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.526 7.072 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.627 5.144 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.326 5.474 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.956 3.583 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.273 3.279 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.931 1.648 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.872 2.781 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.811 3.979 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.937 3.030 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.418 2.298 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.419 1.119 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.948 1.731 3.704 1.00 0.00 H new ATOM 417 N LEU A 28 -9.269 6.320 -1.209 1.00 0.00 N ATOM 418 CA LEU A 28 -7.895 5.801 -1.531 1.00 0.00 C ATOM 419 C LEU A 28 -7.441 4.464 -0.723 1.00 0.00 C ATOM 420 O LEU A 28 -7.734 4.332 0.449 1.00 0.00 O ATOM 421 CB LEU A 28 -7.028 7.032 -1.272 1.00 0.00 C ATOM 422 CG LEU A 28 -5.634 7.191 -1.923 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.778 7.562 -3.440 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.808 8.453 -1.359 1.00 0.00 C ATOM 0 H LEU A 28 -9.250 7.114 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.817 5.420 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.616 7.901 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.883 7.096 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.137 6.242 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.788 7.670 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.323 6.773 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.323 8.501 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.840 8.506 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.366 9.369 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.658 8.339 -0.285 1.00 0.00 H new ATOM 436 N ILE A 29 -6.816 3.524 -1.352 1.00 0.00 N ATOM 437 CA ILE A 29 -6.327 2.184 -0.894 1.00 0.00 C ATOM 438 C ILE A 29 -4.803 2.020 -1.441 1.00 0.00 C ATOM 439 O ILE A 29 -4.435 2.089 -2.622 1.00 0.00 O ATOM 440 CB ILE A 29 -7.254 0.887 -1.001 1.00 0.00 C ATOM 441 CG1 ILE A 29 -7.232 0.167 -2.400 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.672 1.242 -0.538 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.231 -0.983 -2.495 1.00 0.00 C ATOM 0 H ILE A 29 -6.586 3.657 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.373 2.212 0.195 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.830 0.136 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.230 -0.216 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.999 0.902 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.309 0.361 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.642 1.586 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.074 2.032 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.279 -1.426 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.225 -0.605 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.474 -1.740 -1.749 1.00 0.00 H new ATOM 455 N VAL A 30 -3.931 1.816 -0.440 1.00 0.00 N ATOM 456 CA VAL A 30 -2.442 2.009 -0.474 1.00 0.00 C ATOM 457 C VAL A 30 -1.840 0.692 0.090 1.00 0.00 C ATOM 458 O VAL A 30 -2.147 0.396 1.264 1.00 0.00 O ATOM 459 CB VAL A 30 -1.895 3.331 0.161 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.354 3.500 0.247 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.360 4.563 -0.586 1.00 0.00 C ATOM 0 H VAL A 30 -4.248 1.493 0.474 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.112 2.179 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.297 3.238 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.118 4.460 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.067 2.695 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.072 3.464 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.954 5.454 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.012 4.516 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.449 4.608 -0.572 1.00 0.00 H new ATOM 471 N VAL A 31 -0.866 0.207 -0.689 1.00 0.00 N ATOM 472 CA VAL A 31 -0.310 -1.146 -0.626 1.00 0.00 C ATOM 473 C VAL A 31 1.238 -1.248 -0.783 1.00 0.00 C ATOM 474 O VAL A 31 1.639 -1.048 -1.935 1.00 0.00 O ATOM 475 CB VAL A 31 -1.200 -2.074 -1.576 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.536 -1.633 -2.996 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.742 -3.617 -1.520 1.00 0.00 C ATOM 0 H VAL A 31 -0.425 0.775 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.388 -1.530 0.391 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.172 -1.936 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.147 -2.396 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.087 -0.693 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.615 -1.494 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.375 -4.209 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.296 -3.700 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.837 -3.988 -0.499 1.00 0.00 H new ATOM 487 N ASP A 32 2.060 -1.498 0.318 1.00 0.00 N ATOM 488 CA ASP A 32 3.470 -2.069 0.290 1.00 0.00 C ATOM 489 C ASP A 32 3.454 -3.471 -0.279 1.00 0.00 C ATOM 490 O ASP A 32 2.536 -4.273 -0.129 1.00 0.00 O ATOM 491 CB ASP A 32 4.233 -1.929 1.639 1.00 0.00 C ATOM 492 CG ASP A 32 5.706 -1.750 1.739 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.235 -1.413 2.811 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.364 -1.718 0.589 1.00 0.00 O ATOM 0 H ASP A 32 1.747 -1.301 1.269 1.00 0.00 H new ATOM 0 HA ASP A 32 4.064 -1.456 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.786 -1.080 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.993 -2.819 2.220 1.00 0.00 H new ATOM 500 N PHE A 33 4.640 -3.775 -0.971 1.00 0.00 N ATOM 501 CA PHE A 33 4.988 -5.008 -1.691 1.00 0.00 C ATOM 502 C PHE A 33 6.500 -5.036 -1.353 1.00 0.00 C ATOM 503 O PHE A 33 7.287 -4.298 -1.997 1.00 0.00 O ATOM 504 CB PHE A 33 4.731 -4.864 -3.224 1.00 0.00 C ATOM 505 CG PHE A 33 3.252 -5.042 -3.548 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.687 -6.273 -3.782 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.498 -3.851 -3.849 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.324 -6.402 -4.092 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.123 -3.991 -4.232 1.00 0.00 C ATOM 510 CZ PHE A 33 0.553 -5.261 -4.350 1.00 0.00 C ATOM 0 H PHE A 33 5.399 -3.095 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 33 4.426 -5.902 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.066 -3.883 -3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.318 -5.606 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.304 -7.158 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.958 -2.876 -3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.870 -7.381 -4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.527 -3.112 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.482 -5.363 -4.640 1.00 0.00 H new ATOM 520 N THR A 34 6.849 -5.815 -0.351 1.00 0.00 N ATOM 521 CA THR A 34 8.196 -5.901 0.270 1.00 0.00 C ATOM 522 C THR A 34 8.233 -7.368 0.869 1.00 0.00 C ATOM 523 O THR A 34 7.285 -8.054 1.271 1.00 0.00 O ATOM 524 CB THR A 34 8.371 -4.843 1.399 1.00 0.00 C ATOM 525 OG1 THR A 34 9.784 -4.806 1.701 1.00 0.00 O ATOM 526 CG2 THR A 34 7.582 -5.058 2.673 1.00 0.00 C ATOM 0 H THR A 34 6.181 -6.447 0.091 1.00 0.00 H new ATOM 0 HA THR A 34 8.998 -5.705 -0.442 1.00 0.00 H new ATOM 0 HB THR A 34 7.966 -3.906 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.049 -3.887 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.796 -4.251 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.516 -5.067 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.865 -6.011 3.120 1.00 0.00 H new ATOM 534 N ALA A 35 9.482 -7.775 0.888 1.00 0.00 N ATOM 535 CA ALA A 35 9.881 -8.852 1.717 1.00 0.00 C ATOM 536 C ALA A 35 10.061 -8.542 3.226 1.00 0.00 C ATOM 537 O ALA A 35 10.341 -7.359 3.674 1.00 0.00 O ATOM 538 CB ALA A 35 11.269 -9.142 1.055 1.00 0.00 C ATOM 0 H ALA A 35 10.231 -7.364 0.330 1.00 0.00 H new ATOM 0 HA ALA A 35 9.139 -9.649 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.752 -9.971 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.125 -9.402 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.898 -8.255 1.125 1.00 0.00 H new ATOM 544 N SER A 36 9.491 -9.468 4.036 1.00 0.00 N ATOM 545 CA SER A 36 9.694 -9.561 5.490 1.00 0.00 C ATOM 546 C SER A 36 11.161 -9.499 6.038 1.00 0.00 C ATOM 547 O SER A 36 11.374 -8.762 7.009 1.00 0.00 O ATOM 548 CB SER A 36 8.885 -10.761 6.065 1.00 0.00 C ATOM 549 OG SER A 36 8.983 -10.814 7.466 1.00 0.00 O ATOM 0 H SER A 36 8.862 -10.187 3.679 1.00 0.00 H new ATOM 0 HA SER A 36 9.301 -8.618 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.838 -10.670 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.256 -11.692 5.636 1.00 0.00 H new ATOM 0 HG SER A 36 8.465 -11.575 7.802 1.00 0.00 H new ATOM 555 N TRP A 37 12.059 -10.173 5.317 1.00 0.00 N ATOM 556 CA TRP A 37 13.531 -9.894 5.184 1.00 0.00 C ATOM 557 C TRP A 37 13.784 -8.591 4.411 1.00 0.00 C ATOM 558 O TRP A 37 14.028 -8.499 3.181 1.00 0.00 O ATOM 559 CB TRP A 37 14.307 -11.091 4.523 1.00 0.00 C ATOM 560 CG TRP A 37 13.859 -11.556 3.119 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.579 -12.015 2.768 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.577 -11.725 1.936 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.466 -12.512 1.464 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.712 -12.314 0.958 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.880 -11.289 1.574 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.122 -12.454 -0.358 1.00 0.00 C ATOM 567 CZ3 TRP A 37 16.308 -11.472 0.232 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.421 -12.016 -0.713 1.00 0.00 C ATOM 0 H TRP A 37 11.782 -10.985 4.766 1.00 0.00 H new ATOM 0 HA TRP A 37 13.919 -9.775 6.196 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.360 -10.815 4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.239 -11.946 5.196 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.744 -11.987 3.453 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.651 -12.921 1.007 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.530 -10.829 2.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.465 -12.888 -1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 17.310 -11.195 -0.061 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.740 -12.103 -1.741 1.00 0.00 H new ATOM 579 N CYS A 38 13.831 -7.438 5.146 1.00 0.00 N ATOM 580 CA CYS A 38 14.124 -6.084 4.621 1.00 0.00 C ATOM 581 C CYS A 38 14.133 -5.128 5.864 1.00 0.00 C ATOM 582 O CYS A 38 13.119 -4.618 6.193 1.00 0.00 O ATOM 583 CB CYS A 38 13.122 -5.559 3.520 1.00 0.00 C ATOM 584 SG CYS A 38 13.364 -3.827 3.089 1.00 0.00 S ATOM 0 H CYS A 38 13.659 -7.435 6.151 1.00 0.00 H new ATOM 0 HA CYS A 38 15.081 -6.117 4.101 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.232 -6.167 2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.101 -5.697 3.875 1.00 0.00 H new ATOM 0 HG CYS A 38 12.502 -3.482 2.179 1.00 0.00 H new ATOM 590 N PRO A 39 15.266 -4.767 6.492 1.00 0.00 N ATOM 591 CA PRO A 39 15.421 -3.678 7.519 1.00 0.00 C ATOM 592 C PRO A 39 14.868 -2.302 7.103 1.00 0.00 C ATOM 593 O PRO A 39 14.243 -1.731 7.996 1.00 0.00 O ATOM 594 CB PRO A 39 16.870 -3.730 7.856 1.00 0.00 C ATOM 595 CG PRO A 39 17.381 -5.114 7.509 1.00 0.00 C ATOM 596 CD PRO A 39 16.535 -5.482 6.314 1.00 0.00 C ATOM 0 HA PRO A 39 14.801 -3.842 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.418 -2.970 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.023 -3.521 8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.444 -5.106 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.247 -5.815 8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.022 -5.189 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.374 -6.559 6.265 1.00 0.00 H new ATOM 604 N PRO A 40 15.108 -1.653 5.923 1.00 0.00 N ATOM 605 CA PRO A 40 14.356 -0.447 5.445 1.00 0.00 C ATOM 606 C PRO A 40 12.802 -0.449 5.573 1.00 0.00 C ATOM 607 O PRO A 40 12.175 0.468 6.128 1.00 0.00 O ATOM 608 CB PRO A 40 14.916 -0.105 4.024 1.00 0.00 C ATOM 609 CG PRO A 40 16.268 -0.818 3.854 1.00 0.00 C ATOM 610 CD PRO A 40 16.060 -2.052 4.837 1.00 0.00 C ATOM 0 HA PRO A 40 14.546 0.365 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.217 -0.428 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.038 0.972 3.913 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.447 -1.131 2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.109 -0.190 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.668 -2.909 4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.014 -2.357 5.266 1.00 0.00 H new ATOM 618 N CYS A 41 12.208 -1.566 5.185 1.00 0.00 N ATOM 619 CA CYS A 41 10.831 -2.004 5.435 1.00 0.00 C ATOM 620 C CYS A 41 10.310 -2.430 6.835 1.00 0.00 C ATOM 621 O CYS A 41 9.160 -2.223 7.128 1.00 0.00 O ATOM 622 CB CYS A 41 10.140 -2.786 4.288 1.00 0.00 C ATOM 623 SG CYS A 41 9.986 -1.863 2.757 1.00 0.00 S ATOM 0 H CYS A 41 12.719 -2.257 4.636 1.00 0.00 H new ATOM 0 HA CYS A 41 10.490 -0.969 5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.704 -3.698 4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.146 -3.090 4.618 1.00 0.00 H new ATOM 0 HG CYS A 41 8.928 -2.261 2.115 1.00 0.00 H new ATOM 629 N LYS A 42 11.271 -3.010 7.611 1.00 0.00 N ATOM 630 CA LYS A 42 11.122 -3.085 9.107 1.00 0.00 C ATOM 631 C LYS A 42 10.932 -1.803 9.910 1.00 0.00 C ATOM 632 O LYS A 42 10.161 -1.819 10.858 1.00 0.00 O ATOM 633 CB LYS A 42 12.209 -3.949 9.670 1.00 0.00 C ATOM 634 CG LYS A 42 11.964 -4.573 11.086 1.00 0.00 C ATOM 635 CD LYS A 42 12.866 -5.736 11.547 1.00 0.00 C ATOM 636 CE LYS A 42 12.668 -6.418 12.920 1.00 0.00 C ATOM 637 NZ LYS A 42 11.254 -6.662 13.130 1.00 0.00 N ATOM 0 H LYS A 42 12.131 -3.421 7.248 1.00 0.00 H new ATOM 0 HA LYS A 42 10.135 -3.528 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.391 -4.763 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.123 -3.356 9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.055 -3.773 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.932 -4.921 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.786 -6.517 10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.892 -5.370 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.221 -7.357 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.062 -5.785 13.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.120 -7.181 14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.749 -5.754 13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.878 -7.226 12.341 1.00 0.00 H new ATOM 650 N MET A 43 11.723 -0.671 9.685 1.00 0.00 N ATOM 651 CA MET A 43 11.377 0.720 10.078 1.00 0.00 C ATOM 652 C MET A 43 10.095 1.284 9.333 1.00 0.00 C ATOM 653 O MET A 43 9.226 1.844 10.033 1.00 0.00 O ATOM 654 CB MET A 43 12.633 1.683 10.019 1.00 0.00 C ATOM 655 CG MET A 43 13.368 2.029 8.700 1.00 0.00 C ATOM 656 SD MET A 43 14.808 2.936 9.163 1.00 0.00 S ATOM 657 CE MET A 43 14.123 4.574 9.022 1.00 0.00 C ATOM 0 H MET A 43 12.627 -0.730 9.216 1.00 0.00 H new ATOM 0 HA MET A 43 11.081 0.682 11.126 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.317 2.631 10.455 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.381 1.258 10.688 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.636 1.124 8.155 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.730 2.620 8.042 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.885 5.310 9.277 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.785 4.740 7.999 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.279 4.675 9.704 1.00 0.00 H new ATOM 667 N ILE A 44 9.992 1.151 7.993 1.00 0.00 N ATOM 668 CA ILE A 44 8.709 1.447 7.250 1.00 0.00 C ATOM 669 C ILE A 44 7.277 0.933 7.733 1.00 0.00 C ATOM 670 O ILE A 44 6.311 1.643 7.582 1.00 0.00 O ATOM 671 CB ILE A 44 8.938 1.512 5.682 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.523 2.852 4.918 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.266 0.324 4.914 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.391 4.019 5.341 1.00 0.00 C ATOM 0 H ILE A 44 10.760 0.846 7.395 1.00 0.00 H new ATOM 0 HA ILE A 44 8.509 2.439 7.655 1.00 0.00 H new ATOM 0 HB ILE A 44 10.026 1.461 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.611 2.702 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.477 3.081 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.459 0.426 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.680 -0.620 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.191 0.338 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.083 4.915 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.282 4.184 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.434 3.799 5.112 1.00 0.00 H new ATOM 686 N ALA A 45 7.130 -0.277 8.263 1.00 0.00 N ATOM 687 CA ALA A 45 5.923 -0.687 8.901 1.00 0.00 C ATOM 688 C ALA A 45 5.355 0.230 10.101 1.00 0.00 C ATOM 689 O ALA A 45 4.160 0.581 9.954 1.00 0.00 O ATOM 690 CB ALA A 45 5.988 -2.097 9.458 1.00 0.00 C ATOM 0 H ALA A 45 7.859 -0.991 8.252 1.00 0.00 H new ATOM 0 HA ALA A 45 5.239 -0.594 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.038 -2.346 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.186 -2.799 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.787 -2.160 10.197 1.00 0.00 H new ATOM 696 N PRO A 46 6.039 0.613 11.226 1.00 0.00 N ATOM 697 CA PRO A 46 5.764 1.819 11.999 1.00 0.00 C ATOM 698 C PRO A 46 5.545 3.208 11.272 1.00 0.00 C ATOM 699 O PRO A 46 4.591 3.903 11.646 1.00 0.00 O ATOM 700 CB PRO A 46 6.858 1.864 13.084 1.00 0.00 C ATOM 701 CG PRO A 46 7.402 0.394 13.102 1.00 0.00 C ATOM 702 CD PRO A 46 7.143 -0.180 11.746 1.00 0.00 C ATOM 0 HA PRO A 46 4.748 1.712 12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.641 2.581 12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.453 2.156 14.053 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.468 0.379 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.902 -0.194 13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.023 -0.104 11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.881 -1.237 11.804 1.00 0.00 H new ATOM 710 N ILE A 47 6.349 3.626 10.255 1.00 0.00 N ATOM 711 CA ILE A 47 5.892 4.774 9.319 1.00 0.00 C ATOM 712 C ILE A 47 4.456 4.552 8.689 1.00 0.00 C ATOM 713 O ILE A 47 3.594 5.363 8.886 1.00 0.00 O ATOM 714 CB ILE A 47 7.009 5.244 8.281 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.343 5.706 8.990 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.557 6.386 7.322 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.207 6.950 9.745 1.00 0.00 C ATOM 0 H ILE A 47 7.267 3.235 10.043 1.00 0.00 H new ATOM 0 HA ILE A 47 5.762 5.636 9.973 1.00 0.00 H new ATOM 0 HB ILE A 47 7.188 4.347 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.678 4.917 9.664 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.120 5.832 8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.377 6.643 6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.700 6.052 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.278 7.263 7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.163 7.204 10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.903 7.752 9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.454 6.823 10.523 1.00 0.00 H new ATOM 729 N PHE A 48 4.198 3.417 7.948 1.00 0.00 N ATOM 730 CA PHE A 48 2.809 3.025 7.475 1.00 0.00 C ATOM 731 C PHE A 48 1.603 3.141 8.483 1.00 0.00 C ATOM 732 O PHE A 48 0.558 3.711 8.120 1.00 0.00 O ATOM 733 CB PHE A 48 3.013 1.519 6.968 1.00 0.00 C ATOM 734 CG PHE A 48 2.230 1.121 5.711 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.363 1.844 4.484 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.365 0.022 5.765 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.633 1.428 3.393 1.00 0.00 C ATOM 738 CE2 PHE A 48 0.791 -0.466 4.594 1.00 0.00 C ATOM 739 CZ PHE A 48 0.838 0.292 3.461 1.00 0.00 C ATOM 0 H PHE A 48 4.925 2.760 7.666 1.00 0.00 H new ATOM 0 HA PHE A 48 2.482 3.745 6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.074 1.362 6.776 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.732 0.843 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.021 2.697 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.143 -0.446 6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.680 1.992 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.314 -1.435 4.583 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.248 0.004 2.604 1.00 0.00 H new ATOM 749 N ALA A 49 1.793 2.684 9.738 1.00 0.00 N ATOM 750 CA ALA A 49 0.896 2.896 10.899 1.00 0.00 C ATOM 751 C ALA A 49 0.772 4.416 11.445 1.00 0.00 C ATOM 752 O ALA A 49 -0.366 4.859 11.590 1.00 0.00 O ATOM 753 CB ALA A 49 1.331 1.873 11.899 1.00 0.00 C ATOM 0 H ALA A 49 2.614 2.131 9.984 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.147 2.754 10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.718 1.957 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.216 0.876 11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.377 2.039 12.158 1.00 0.00 H new ATOM 759 N GLU A 50 1.922 5.185 11.620 1.00 0.00 N ATOM 760 CA GLU A 50 1.915 6.631 11.873 1.00 0.00 C ATOM 761 C GLU A 50 1.114 7.550 10.839 1.00 0.00 C ATOM 762 O GLU A 50 0.326 8.451 11.160 1.00 0.00 O ATOM 763 CB GLU A 50 3.376 7.035 12.069 1.00 0.00 C ATOM 764 CG GLU A 50 3.510 8.374 12.847 1.00 0.00 C ATOM 765 CD GLU A 50 5.024 8.849 12.832 1.00 0.00 C ATOM 766 OE1 GLU A 50 5.681 8.984 13.875 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.517 8.990 11.578 1.00 0.00 O ATOM 0 H GLU A 50 2.861 4.788 11.583 1.00 0.00 H new ATOM 0 HA GLU A 50 1.320 6.820 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.901 6.247 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.859 7.131 11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.875 9.135 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.169 8.245 13.874 1.00 0.00 H new ATOM 775 N LEU A 51 1.445 7.367 9.595 1.00 0.00 N ATOM 776 CA LEU A 51 0.797 7.992 8.413 1.00 0.00 C ATOM 777 C LEU A 51 -0.687 7.590 8.245 1.00 0.00 C ATOM 778 O LEU A 51 -1.451 8.331 7.709 1.00 0.00 O ATOM 779 CB LEU A 51 1.880 7.653 7.353 1.00 0.00 C ATOM 780 CG LEU A 51 1.532 7.995 5.874 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.754 6.805 5.239 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.864 9.320 5.660 1.00 0.00 C ATOM 0 H LEU A 51 2.213 6.749 9.332 1.00 0.00 H new ATOM 0 HA LEU A 51 0.590 9.062 8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.796 8.181 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.097 6.587 7.415 1.00 0.00 H new ATOM 0 HG LEU A 51 2.479 8.126 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.509 7.042 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.373 5.908 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.165 6.631 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.665 9.460 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.076 9.347 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.516 10.118 6.015 1.00 0.00 H new ATOM 794 N ALA A 52 -1.111 6.318 8.562 1.00 0.00 N ATOM 795 CA ALA A 52 -2.530 6.022 8.821 1.00 0.00 C ATOM 796 C ALA A 52 -3.229 6.845 9.922 1.00 0.00 C ATOM 797 O ALA A 52 -4.334 7.320 9.691 1.00 0.00 O ATOM 798 CB ALA A 52 -2.662 4.512 9.168 1.00 0.00 C ATOM 0 H ALA A 52 -0.490 5.512 8.638 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.043 6.307 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.708 4.274 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.304 3.914 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.067 4.289 10.054 1.00 0.00 H new ATOM 804 N LYS A 53 -2.588 7.050 11.083 1.00 0.00 N ATOM 805 CA LYS A 53 -2.987 8.047 12.075 1.00 0.00 C ATOM 806 C LYS A 53 -3.004 9.586 11.620 1.00 0.00 C ATOM 807 O LYS A 53 -3.825 10.296 12.240 1.00 0.00 O ATOM 808 CB LYS A 53 -2.100 7.844 13.307 1.00 0.00 C ATOM 809 CG LYS A 53 -2.321 6.466 14.001 1.00 0.00 C ATOM 810 CD LYS A 53 -1.315 6.155 15.145 1.00 0.00 C ATOM 811 CE LYS A 53 -1.518 4.703 15.618 1.00 0.00 C ATOM 812 NZ LYS A 53 -0.682 4.329 16.804 1.00 0.00 N ATOM 0 H LYS A 53 -1.764 6.516 11.359 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.043 7.866 12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.054 7.932 13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.297 8.641 14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.333 6.434 14.405 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.253 5.679 13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.293 6.296 14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.466 6.845 15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.569 4.555 15.866 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.286 4.027 14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.872 3.340 17.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.325 4.438 16.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.918 4.949 17.605 1.00 0.00 H new ATOM 825 N LYS A 54 -2.098 10.066 10.697 1.00 0.00 N ATOM 826 CA LYS A 54 -2.134 11.357 9.985 1.00 0.00 C ATOM 827 C LYS A 54 -3.295 11.576 8.991 1.00 0.00 C ATOM 828 O LYS A 54 -3.761 12.737 8.719 1.00 0.00 O ATOM 829 CB LYS A 54 -0.709 11.665 9.446 1.00 0.00 C ATOM 830 CG LYS A 54 -0.442 13.001 8.900 1.00 0.00 C ATOM 831 CD LYS A 54 1.026 13.302 8.503 1.00 0.00 C ATOM 832 CE LYS A 54 2.038 13.382 9.647 1.00 0.00 C ATOM 833 NZ LYS A 54 3.333 13.833 9.062 1.00 0.00 N ATOM 0 H LYS A 54 -1.283 9.514 10.429 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.405 12.123 10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.002 11.491 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.485 10.937 8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.070 13.142 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.755 13.740 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.357 12.530 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.046 14.248 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.698 14.080 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.151 12.411 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.049 13.899 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.647 13.149 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.208 14.766 8.620 1.00 0.00 H new ATOM 846 N PHE A 55 -3.798 10.464 8.342 1.00 0.00 N ATOM 847 CA PHE A 55 -4.532 10.431 7.089 1.00 0.00 C ATOM 848 C PHE A 55 -5.714 9.326 7.241 1.00 0.00 C ATOM 849 O PHE A 55 -5.496 8.163 6.962 1.00 0.00 O ATOM 850 CB PHE A 55 -3.497 10.171 5.942 1.00 0.00 C ATOM 851 CG PHE A 55 -3.023 11.544 5.301 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.919 12.311 4.615 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.698 12.009 5.503 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.560 13.565 4.081 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.348 13.266 4.996 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.253 14.021 4.305 1.00 0.00 C ATOM 0 H PHE A 55 -3.676 9.529 8.731 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.030 11.366 6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.636 9.630 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.946 9.540 5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.927 11.949 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.976 11.407 6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.268 14.155 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.349 13.644 5.153 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.956 14.987 3.924 1.00 0.00 H new ATOM 866 N PRO A 56 -6.968 9.703 7.557 1.00 0.00 N ATOM 867 CA PRO A 56 -8.269 8.962 7.575 1.00 0.00 C ATOM 868 C PRO A 56 -9.277 8.717 6.425 1.00 0.00 C ATOM 869 O PRO A 56 -10.366 8.111 6.574 1.00 0.00 O ATOM 870 CB PRO A 56 -9.002 9.597 8.785 1.00 0.00 C ATOM 871 CG PRO A 56 -8.626 11.072 8.613 1.00 0.00 C ATOM 872 CD PRO A 56 -7.208 11.032 8.097 1.00 0.00 C ATOM 0 HA PRO A 56 -7.917 7.931 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.080 9.439 8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.656 9.191 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.292 11.574 7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.692 11.613 9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.060 11.789 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.503 11.251 8.899 1.00 0.00 H new ATOM 880 N ASN A 57 -9.087 9.318 5.215 1.00 0.00 N ATOM 881 CA ASN A 57 -9.747 8.982 3.895 1.00 0.00 C ATOM 882 C ASN A 57 -9.219 7.709 3.129 1.00 0.00 C ATOM 883 O ASN A 57 -9.503 7.554 1.925 1.00 0.00 O ATOM 884 CB ASN A 57 -9.723 10.248 2.949 1.00 0.00 C ATOM 885 CG ASN A 57 -8.343 10.622 2.297 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.400 11.255 2.911 1.00 0.00 O flip ATOM 887 ND2 ASN A 57 -8.171 10.446 1.074 1.00 0.00 N flip ATOM 0 H ASN A 57 -8.434 10.096 5.117 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.764 8.703 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.444 10.087 2.148 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.071 11.107 3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.876 9.953 0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.325 10.795 0.623 1.00 0.00 H new ATOM 894 N VAL A 58 -8.365 6.841 3.814 1.00 0.00 N ATOM 895 CA VAL A 58 -7.348 6.023 3.061 1.00 0.00 C ATOM 896 C VAL A 58 -7.123 4.631 3.873 1.00 0.00 C ATOM 897 O VAL A 58 -6.444 4.687 4.927 1.00 0.00 O ATOM 898 CB VAL A 58 -6.148 6.969 2.625 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.501 7.833 3.783 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.100 6.049 1.970 1.00 0.00 C ATOM 0 H VAL A 58 -8.367 6.704 4.825 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.643 5.641 2.083 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.539 7.726 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.693 8.441 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.260 8.483 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.104 7.171 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.245 6.643 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.770 5.302 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.542 5.550 1.107 1.00 0.00 H new ATOM 910 N THR A 59 -7.713 3.540 3.492 1.00 0.00 N ATOM 911 CA THR A 59 -7.278 2.124 3.886 1.00 0.00 C ATOM 912 C THR A 59 -5.820 1.769 3.399 1.00 0.00 C ATOM 913 O THR A 59 -5.271 2.223 2.406 1.00 0.00 O ATOM 914 CB THR A 59 -8.405 1.116 3.433 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.678 1.281 4.153 1.00 0.00 O ATOM 916 CG2 THR A 59 -8.017 -0.385 3.349 1.00 0.00 C ATOM 0 H THR A 59 -8.533 3.548 2.885 1.00 0.00 H new ATOM 0 HA THR A 59 -7.184 2.048 4.969 1.00 0.00 H new ATOM 0 HB THR A 59 -8.547 1.426 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.499 1.412 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.881 -0.967 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.206 -0.512 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.691 -0.732 4.330 1.00 0.00 H new ATOM 924 N PHE A 60 -5.174 0.857 4.178 1.00 0.00 N ATOM 925 CA PHE A 60 -3.779 0.444 4.077 1.00 0.00 C ATOM 926 C PHE A 60 -3.638 -1.077 4.272 1.00 0.00 C ATOM 927 O PHE A 60 -4.297 -1.714 5.048 1.00 0.00 O ATOM 928 CB PHE A 60 -2.871 1.194 5.150 1.00 0.00 C ATOM 929 CG PHE A 60 -2.714 2.705 4.919 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.709 3.168 4.054 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.503 3.614 5.679 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.504 4.543 3.908 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.284 4.992 5.461 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.322 5.485 4.575 1.00 0.00 C ATOM 0 H PHE A 60 -5.659 0.372 4.933 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.440 0.713 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.297 1.035 6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.882 0.736 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.099 2.466 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.237 3.265 6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.704 4.894 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.890 5.700 6.006 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.207 6.546 4.406 1.00 0.00 H new ATOM 944 N LEU A 61 -2.681 -1.662 3.510 1.00 0.00 N ATOM 945 CA LEU A 61 -2.433 -3.098 3.429 1.00 0.00 C ATOM 946 C LEU A 61 -0.884 -3.332 2.987 1.00 0.00 C ATOM 947 O LEU A 61 -0.134 -2.459 2.597 1.00 0.00 O ATOM 948 CB LEU A 61 -3.582 -3.835 2.667 1.00 0.00 C ATOM 949 CG LEU A 61 -3.680 -3.837 1.093 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.059 -5.172 0.477 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.098 -3.712 0.528 1.00 0.00 C ATOM 0 H LEU A 61 -2.049 -1.119 2.922 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.497 -3.603 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.547 -4.878 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.520 -3.422 3.039 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.120 -2.947 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.141 -5.144 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.009 -5.249 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.602 -6.036 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.058 -3.723 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.704 -4.548 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.543 -2.776 0.865 1.00 0.00 H new ATOM 963 N LYS A 62 -0.519 -4.587 3.211 1.00 0.00 N ATOM 964 CA LYS A 62 0.905 -5.007 3.133 1.00 0.00 C ATOM 965 C LYS A 62 1.192 -6.552 2.752 1.00 0.00 C ATOM 966 O LYS A 62 1.135 -7.450 3.550 1.00 0.00 O ATOM 967 CB LYS A 62 1.858 -4.581 4.314 1.00 0.00 C ATOM 968 CG LYS A 62 1.526 -5.171 5.740 1.00 0.00 C ATOM 969 CD LYS A 62 2.318 -4.370 6.786 1.00 0.00 C ATOM 970 CE LYS A 62 3.841 -4.428 6.925 1.00 0.00 C ATOM 971 NZ LYS A 62 4.386 -5.846 6.818 1.00 0.00 N ATOM 0 H LYS A 62 -1.169 -5.337 3.447 1.00 0.00 H new ATOM 0 HA LYS A 62 1.172 -4.394 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.875 -4.873 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.847 -3.493 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.457 -5.104 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.794 -6.227 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.065 -3.322 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.911 -4.650 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.296 -3.809 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.131 -4.003 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.421 -5.829 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.975 -6.434 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.135 -6.245 5.891 1.00 0.00 H new ATOM 984 N VAL A 63 1.658 -6.749 1.564 1.00 0.00 N ATOM 985 CA VAL A 63 1.844 -8.010 0.785 1.00 0.00 C ATOM 986 C VAL A 63 3.315 -8.500 1.080 1.00 0.00 C ATOM 987 O VAL A 63 4.349 -7.880 0.790 1.00 0.00 O ATOM 988 CB VAL A 63 1.453 -7.915 -0.770 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.925 -9.155 -1.561 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.053 -7.769 -0.875 1.00 0.00 C ATOM 0 H VAL A 63 1.968 -5.949 1.013 1.00 0.00 H new ATOM 0 HA VAL A 63 1.128 -8.763 1.115 1.00 0.00 H new ATOM 0 HB VAL A 63 1.954 -7.051 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.640 -9.049 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.009 -9.243 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.460 -10.049 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.340 -7.703 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.535 -8.635 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.368 -6.864 -0.355 1.00 0.00 H new ATOM 1000 N ASP A 64 3.313 -9.711 1.648 1.00 0.00 N ATOM 1001 CA ASP A 64 4.534 -10.535 1.682 1.00 0.00 C ATOM 1002 C ASP A 64 4.729 -10.932 0.196 1.00 0.00 C ATOM 1003 O ASP A 64 4.044 -11.823 -0.214 1.00 0.00 O ATOM 1004 CB ASP A 64 4.298 -11.752 2.623 1.00 0.00 C ATOM 1005 CG ASP A 64 5.369 -12.846 2.679 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.229 -13.894 2.051 1.00 0.00 O ATOM 1007 OD2 ASP A 64 6.347 -12.622 3.643 1.00 0.00 O ATOM 0 H ASP A 64 2.497 -10.140 2.084 1.00 0.00 H new ATOM 0 HA ASP A 64 5.421 -10.038 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.161 -11.369 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.359 -12.221 2.330 1.00 0.00 H new ATOM 1013 N VAL A 65 5.673 -10.348 -0.492 1.00 0.00 N ATOM 1014 CA VAL A 65 5.996 -10.656 -1.898 1.00 0.00 C ATOM 1015 C VAL A 65 6.271 -12.151 -2.343 1.00 0.00 C ATOM 1016 O VAL A 65 6.081 -12.533 -3.503 1.00 0.00 O ATOM 1017 CB VAL A 65 6.982 -9.569 -2.479 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.435 -9.931 -2.169 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.688 -9.285 -3.993 1.00 0.00 C ATOM 0 H VAL A 65 6.268 -9.620 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 65 5.033 -10.579 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 65 6.806 -8.619 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.096 -9.167 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.573 -9.988 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.673 -10.896 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.384 -8.532 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.809 -10.204 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.667 -8.921 -4.103 1.00 0.00 H new ATOM 1029 N ASP A 66 6.982 -12.843 -1.429 1.00 0.00 N ATOM 1030 CA ASP A 66 7.326 -14.337 -1.517 1.00 0.00 C ATOM 1031 C ASP A 66 6.050 -15.201 -1.781 1.00 0.00 C ATOM 1032 O ASP A 66 5.997 -15.908 -2.779 1.00 0.00 O ATOM 1033 CB ASP A 66 8.263 -14.900 -0.450 1.00 0.00 C ATOM 1034 CG ASP A 66 9.668 -14.363 -0.419 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.006 -13.501 0.405 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.558 -15.017 -1.272 1.00 0.00 O ATOM 0 H ASP A 66 7.353 -12.404 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 66 7.965 -14.414 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.811 -14.721 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.317 -15.981 -0.583 1.00 0.00 H new ATOM 1042 N GLU A 67 4.974 -15.123 -0.980 1.00 0.00 N ATOM 1043 CA GLU A 67 3.594 -15.509 -1.295 1.00 0.00 C ATOM 1044 C GLU A 67 2.902 -14.931 -2.600 1.00 0.00 C ATOM 1045 O GLU A 67 1.928 -15.635 -3.053 1.00 0.00 O ATOM 1046 CB GLU A 67 2.725 -15.296 0.026 1.00 0.00 C ATOM 1047 CG GLU A 67 2.899 -16.450 1.069 1.00 0.00 C ATOM 1048 CD GLU A 67 1.888 -16.289 2.175 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.823 -15.266 2.921 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.150 -17.361 2.305 1.00 0.00 O ATOM 0 H GLU A 67 5.055 -14.763 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 67 3.649 -16.555 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.006 -14.350 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.673 -15.217 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.769 -17.416 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.908 -16.433 1.480 1.00 0.00 H new ATOM 1058 N LEU A 68 3.224 -13.725 -3.213 1.00 0.00 N ATOM 1059 CA LEU A 68 2.270 -13.043 -4.160 1.00 0.00 C ATOM 1060 C LEU A 68 3.111 -12.049 -5.066 1.00 0.00 C ATOM 1061 O LEU A 68 2.815 -10.871 -5.356 1.00 0.00 O ATOM 1062 CB LEU A 68 1.068 -12.207 -3.517 1.00 0.00 C ATOM 1063 CG LEU A 68 0.010 -12.931 -2.568 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.802 -11.898 -1.756 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.952 -13.813 -3.429 1.00 0.00 C ATOM 0 H LEU A 68 4.104 -13.229 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 68 1.788 -13.859 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.510 -11.391 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.511 -11.756 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 68 0.551 -13.564 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.516 -12.418 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.125 -11.307 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.338 -11.239 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.674 -14.306 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.480 -13.183 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.374 -14.565 -3.965 1.00 0.00 H new ATOM 1077 N LYS A 69 4.164 -12.705 -5.685 1.00 0.00 N ATOM 1078 CA LYS A 69 5.059 -12.185 -6.722 1.00 0.00 C ATOM 1079 C LYS A 69 4.460 -11.941 -8.122 1.00 0.00 C ATOM 1080 O LYS A 69 4.742 -10.952 -8.755 1.00 0.00 O ATOM 1081 CB LYS A 69 6.375 -12.965 -6.919 1.00 0.00 C ATOM 1082 CG LYS A 69 6.202 -14.467 -6.924 1.00 0.00 C ATOM 1083 CD LYS A 69 7.455 -15.176 -7.281 1.00 0.00 C ATOM 1084 CE LYS A 69 8.343 -15.603 -6.073 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.469 -16.304 -6.513 1.00 0.00 N ATOM 0 H LYS A 69 4.399 -13.666 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 69 5.261 -11.214 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.830 -12.658 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.070 -12.692 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.869 -14.796 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.419 -14.738 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.199 -16.066 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.044 -14.533 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.653 -14.721 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.764 -16.226 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.048 -16.580 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.168 -17.156 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.030 -15.698 -7.145 1.00 0.00 H new ATOM 1098 N ALA A 70 3.731 -12.903 -8.763 1.00 0.00 N ATOM 1099 CA ALA A 70 3.030 -12.670 -10.070 1.00 0.00 C ATOM 1100 C ALA A 70 2.075 -11.457 -10.213 1.00 0.00 C ATOM 1101 O ALA A 70 2.220 -10.605 -11.090 1.00 0.00 O ATOM 1102 CB ALA A 70 2.371 -14.008 -10.430 1.00 0.00 C ATOM 0 H ALA A 70 3.612 -13.848 -8.398 1.00 0.00 H new ATOM 0 HA ALA A 70 3.789 -12.349 -10.783 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.840 -13.909 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.137 -14.778 -10.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.667 -14.289 -9.647 1.00 0.00 H new ATOM 1108 N VAL A 71 0.999 -11.447 -9.345 1.00 0.00 N ATOM 1109 CA VAL A 71 0.192 -10.184 -9.132 1.00 0.00 C ATOM 1110 C VAL A 71 0.987 -8.832 -8.796 1.00 0.00 C ATOM 1111 O VAL A 71 0.708 -7.696 -9.351 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.973 -10.478 -8.049 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.514 -10.887 -6.676 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.971 -9.329 -7.917 1.00 0.00 C ATOM 0 H VAL A 71 0.683 -12.254 -8.808 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.219 -9.953 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.463 -11.350 -8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.381 -11.057 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.070 -11.805 -6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.102 -10.096 -6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.727 -9.587 -7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.447 -8.427 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.452 -9.152 -8.879 1.00 0.00 H new ATOM 1124 N ALA A 72 1.891 -8.963 -7.749 1.00 0.00 N ATOM 1125 CA ALA A 72 2.815 -7.854 -7.458 1.00 0.00 C ATOM 1126 C ALA A 72 3.475 -7.257 -8.760 1.00 0.00 C ATOM 1127 O ALA A 72 3.115 -6.126 -9.065 1.00 0.00 O ATOM 1128 CB ALA A 72 3.882 -8.201 -6.387 1.00 0.00 C ATOM 0 H ALA A 72 1.978 -9.780 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 72 2.190 -7.073 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.528 -7.338 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.387 -8.466 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.482 -9.043 -6.731 1.00 0.00 H new ATOM 1134 N GLU A 73 4.192 -8.149 -9.487 1.00 0.00 N ATOM 1135 CA GLU A 73 4.756 -7.855 -10.762 1.00 0.00 C ATOM 1136 C GLU A 73 3.665 -7.293 -11.784 1.00 0.00 C ATOM 1137 O GLU A 73 4.088 -6.322 -12.316 1.00 0.00 O ATOM 1138 CB GLU A 73 5.501 -9.051 -11.300 1.00 0.00 C ATOM 1139 CG GLU A 73 6.685 -9.573 -10.518 1.00 0.00 C ATOM 1140 CD GLU A 73 7.160 -10.874 -11.057 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.897 -11.947 -10.515 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.823 -10.721 -12.240 1.00 0.00 O ATOM 0 H GLU A 73 4.379 -9.100 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 73 5.482 -7.052 -10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.786 -9.867 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.849 -8.802 -12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.496 -8.845 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.408 -9.691 -9.470 1.00 0.00 H new ATOM 1150 N GLU A 74 2.485 -7.836 -11.946 1.00 0.00 N ATOM 1151 CA GLU A 74 1.409 -7.261 -12.738 1.00 0.00 C ATOM 1152 C GLU A 74 0.906 -5.838 -12.582 1.00 0.00 C ATOM 1153 O GLU A 74 1.191 -5.064 -13.461 1.00 0.00 O ATOM 1154 CB GLU A 74 0.339 -8.387 -13.018 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.099 -8.267 -12.349 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.192 -7.692 -13.179 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.646 -6.573 -13.086 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -2.534 -8.513 -14.190 1.00 0.00 O ATOM 0 H GLU A 74 2.230 -8.725 -11.516 1.00 0.00 H new ATOM 0 HA GLU A 74 1.926 -6.933 -13.640 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.196 -8.444 -14.097 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.771 -9.337 -12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.406 -9.263 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.003 -7.659 -11.450 1.00 0.00 H new ATOM 1166 N TRP A 75 0.591 -5.458 -11.340 1.00 0.00 N ATOM 1167 CA TRP A 75 0.457 -3.982 -10.974 1.00 0.00 C ATOM 1168 C TRP A 75 1.620 -3.085 -11.372 1.00 0.00 C ATOM 1169 O TRP A 75 1.308 -2.261 -12.159 1.00 0.00 O ATOM 1170 CB TRP A 75 0.266 -3.541 -9.507 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.751 -4.401 -8.786 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.407 -5.238 -7.627 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.096 -4.621 -9.031 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.444 -6.076 -7.337 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.527 -5.668 -8.139 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.996 -4.148 -10.026 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.854 -6.221 -8.289 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.255 -4.682 -10.105 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.664 -5.753 -9.353 1.00 0.00 C ATOM 0 H TRP A 75 0.422 -6.104 -10.569 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.466 -3.866 -11.543 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.221 -3.594 -8.985 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.055 -2.500 -9.480 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.527 -5.196 -7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.436 -6.847 -6.670 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.689 -3.374 -10.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.220 -6.973 -7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.959 -4.238 -10.793 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.603 -6.240 -9.572 1.00 0.00 H new ATOM 1190 N ASN A 76 2.844 -3.480 -10.959 1.00 0.00 N ATOM 1191 CA ASN A 76 4.122 -3.195 -11.672 1.00 0.00 C ATOM 1192 C ASN A 76 5.226 -3.107 -10.547 1.00 0.00 C ATOM 1193 O ASN A 76 5.409 -2.009 -9.951 1.00 0.00 O ATOM 1194 CB ASN A 76 4.139 -1.968 -12.618 1.00 0.00 C ATOM 1195 CG ASN A 76 5.457 -1.729 -13.412 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.913 -0.584 -13.515 1.00 0.00 O ATOM 1197 ND2 ASN A 76 6.005 -2.626 -14.227 1.00 0.00 N ATOM 0 H ASN A 76 2.981 -4.018 -10.103 1.00 0.00 H new ATOM 0 HA ASN A 76 4.302 -4.000 -12.384 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.323 -2.076 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.929 -1.077 -12.027 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.743 -2.345 -14.872 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.687 -3.595 -14.207 1.00 0.00 H new ATOM 1204 N VAL A 77 5.674 -4.291 -10.169 1.00 0.00 N ATOM 1205 CA VAL A 77 6.638 -4.573 -9.059 1.00 0.00 C ATOM 1206 C VAL A 77 7.776 -5.507 -9.582 1.00 0.00 C ATOM 1207 O VAL A 77 7.737 -6.718 -9.447 1.00 0.00 O ATOM 1208 CB VAL A 77 6.087 -5.157 -7.639 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.053 -5.431 -6.455 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.945 -4.347 -7.185 1.00 0.00 C ATOM 0 H VAL A 77 5.373 -5.145 -10.639 1.00 0.00 H new ATOM 0 HA VAL A 77 6.969 -3.570 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 77 5.830 -6.179 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.488 -5.815 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.799 -6.166 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.551 -4.504 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.577 -4.737 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.262 -3.312 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.149 -4.391 -7.929 1.00 0.00 H new ATOM 1220 N GLU A 78 8.748 -4.917 -10.308 1.00 0.00 N ATOM 1221 CA GLU A 78 10.126 -5.527 -10.475 1.00 0.00 C ATOM 1222 C GLU A 78 11.143 -5.555 -9.286 1.00 0.00 C ATOM 1223 O GLU A 78 12.249 -6.092 -9.392 1.00 0.00 O ATOM 1224 CB GLU A 78 10.815 -5.104 -11.775 1.00 0.00 C ATOM 1225 CG GLU A 78 11.366 -3.611 -11.550 1.00 0.00 C ATOM 1226 CD GLU A 78 11.793 -2.937 -12.899 1.00 0.00 C ATOM 1227 OE1 GLU A 78 10.948 -2.656 -13.736 1.00 0.00 O ATOM 1228 OE2 GLU A 78 13.111 -2.588 -12.981 1.00 0.00 O ATOM 0 H GLU A 78 8.627 -4.027 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 78 9.823 -6.574 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.632 -5.784 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.115 -5.135 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.595 -3.008 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.218 -3.637 -10.871 1.00 0.00 H new ATOM 1236 N ALA A 79 10.802 -4.790 -8.249 1.00 0.00 N ATOM 1237 CA ALA A 79 11.800 -4.416 -7.221 1.00 0.00 C ATOM 1238 C ALA A 79 11.188 -4.191 -5.786 1.00 0.00 C ATOM 1239 O ALA A 79 10.121 -3.537 -5.640 1.00 0.00 O ATOM 1240 CB ALA A 79 12.527 -3.144 -7.659 1.00 0.00 C ATOM 0 H ALA A 79 9.865 -4.419 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 79 12.486 -5.259 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.262 -2.867 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.032 -3.322 -8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.806 -2.335 -7.777 1.00 0.00 H new ATOM 1246 N MET A 80 11.963 -4.556 -4.757 1.00 0.00 N ATOM 1247 CA MET A 80 11.798 -4.257 -3.305 1.00 0.00 C ATOM 1248 C MET A 80 12.167 -2.815 -3.162 1.00 0.00 C ATOM 1249 O MET A 80 13.433 -2.587 -3.381 1.00 0.00 O ATOM 1250 CB MET A 80 12.340 -5.357 -2.347 1.00 0.00 C ATOM 1251 CG MET A 80 11.969 -6.861 -2.726 1.00 0.00 C ATOM 1252 SD MET A 80 10.232 -6.938 -2.132 1.00 0.00 S ATOM 1253 CE MET A 80 8.899 -6.523 -3.241 1.00 0.00 C ATOM 0 H MET A 80 12.799 -5.118 -4.920 1.00 0.00 H new ATOM 0 HA MET A 80 10.779 -4.339 -2.926 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.426 -5.271 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.966 -5.153 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.050 -7.051 -3.796 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.611 -7.585 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.953 -6.856 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.870 -5.443 -3.388 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.057 -7.015 -4.201 1.00 0.00 H new ATOM 1263 N PRO A 81 11.352 -1.855 -2.662 1.00 0.00 N ATOM 1264 CA PRO A 81 9.942 -2.098 -2.588 1.00 0.00 C ATOM 1265 C PRO A 81 8.942 -0.847 -2.665 1.00 0.00 C ATOM 1266 O PRO A 81 9.148 0.415 -2.549 1.00 0.00 O ATOM 1267 CB PRO A 81 9.981 -2.587 -1.074 1.00 0.00 C ATOM 1268 CG PRO A 81 11.178 -1.875 -0.435 1.00 0.00 C ATOM 1269 CD PRO A 81 11.897 -1.084 -1.460 1.00 0.00 C ATOM 0 HA PRO A 81 9.572 -2.716 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.055 -2.334 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.093 -3.670 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.838 -1.222 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.852 -2.606 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.627 -0.028 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.982 -1.135 -1.366 1.00 0.00 H new ATOM 1277 N THR A 82 7.732 -1.254 -3.226 1.00 0.00 N ATOM 1278 CA THR A 82 6.855 -0.608 -4.228 1.00 0.00 C ATOM 1279 C THR A 82 5.432 -0.408 -3.478 1.00 0.00 C ATOM 1280 O THR A 82 4.762 -1.184 -2.856 1.00 0.00 O ATOM 1281 CB THR A 82 6.748 -1.466 -5.564 1.00 0.00 C ATOM 1282 OG1 THR A 82 7.990 -1.601 -6.160 1.00 0.00 O ATOM 1283 CG2 THR A 82 5.844 -0.635 -6.544 1.00 0.00 C ATOM 0 H THR A 82 7.328 -2.144 -2.936 1.00 0.00 H new ATOM 0 HA THR A 82 7.251 0.350 -4.565 1.00 0.00 H new ATOM 0 HB THR A 82 6.351 -2.457 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.468 -2.353 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.733 -1.176 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.863 -0.484 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.308 0.333 -6.735 1.00 0.00 H new ATOM 1291 N PHE A 83 4.988 0.883 -3.638 1.00 0.00 N ATOM 1292 CA PHE A 83 3.854 1.550 -3.086 1.00 0.00 C ATOM 1293 C PHE A 83 2.971 1.999 -4.355 1.00 0.00 C ATOM 1294 O PHE A 83 3.393 2.751 -5.209 1.00 0.00 O ATOM 1295 CB PHE A 83 4.125 2.704 -2.073 1.00 0.00 C ATOM 1296 CG PHE A 83 5.076 2.385 -0.944 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.508 2.553 -1.121 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.579 2.001 0.301 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.322 2.391 0.035 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.480 1.640 1.365 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.811 1.880 1.204 1.00 0.00 C ATOM 0 H PHE A 83 5.512 1.520 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 83 3.328 0.859 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.519 3.558 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.173 3.014 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.935 2.790 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.512 1.974 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.363 2.676 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.108 1.188 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.485 1.662 2.019 1.00 0.00 H new ATOM 1311 N ILE A 84 1.839 1.258 -4.407 1.00 0.00 N ATOM 1312 CA ILE A 84 0.836 1.188 -5.411 1.00 0.00 C ATOM 1313 C ILE A 84 -0.472 1.980 -4.817 1.00 0.00 C ATOM 1314 O ILE A 84 -0.837 1.914 -3.679 1.00 0.00 O ATOM 1315 CB ILE A 84 0.788 -0.318 -5.955 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.862 -0.556 -7.050 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.479 -0.936 -6.525 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.638 -1.844 -6.957 1.00 0.00 C ATOM 0 H ILE A 84 1.613 0.631 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 84 0.993 1.715 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 84 0.932 -0.811 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.372 -0.522 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.570 0.272 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.277 -1.963 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.260 -0.931 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.809 -0.358 -7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.357 -1.896 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.168 -1.882 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.951 -2.688 -7.023 1.00 0.00 H new ATOM 1330 N PHE A 85 -1.070 2.750 -5.677 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.948 3.870 -5.366 1.00 0.00 C ATOM 1332 C PHE A 85 -3.199 3.572 -6.286 1.00 0.00 C ATOM 1333 O PHE A 85 -3.181 3.575 -7.492 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.381 5.269 -5.505 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.450 5.716 -4.405 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.826 5.277 -4.406 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.978 6.499 -3.325 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.681 5.764 -3.392 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.159 6.968 -2.319 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.205 6.561 -2.325 1.00 0.00 C ATOM 0 H PHE A 85 -0.959 2.615 -6.682 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.171 3.911 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.847 5.331 -6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.212 5.973 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.180 4.581 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.034 6.725 -3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.732 5.520 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.541 7.624 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.868 6.857 -1.525 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.277 3.124 -5.675 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.468 2.538 -6.270 1.00 0.00 C ATOM 1352 C LEU A 86 -6.663 3.154 -5.458 1.00 0.00 C ATOM 1353 O LEU A 86 -6.665 3.278 -4.214 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.308 0.968 -6.086 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.238 -0.155 -6.668 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.724 0.292 -6.777 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.792 -0.645 -8.087 1.00 0.00 C ATOM 0 H LEU A 86 -4.351 3.163 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.629 2.734 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.309 0.735 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.297 0.804 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.146 -0.971 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.320 -0.524 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.098 0.555 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.796 1.158 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.474 -1.421 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.810 0.193 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.781 -1.049 -8.031 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.598 3.694 -6.170 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.778 4.483 -5.834 1.00 0.00 C ATOM 1371 C LYS A 87 -10.112 3.972 -6.420 1.00 0.00 C ATOM 1372 O LYS A 87 -10.229 3.007 -7.146 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.475 5.925 -6.196 1.00 0.00 C ATOM 1374 CG LYS A 87 -9.314 7.112 -5.572 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.909 8.396 -6.211 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.300 9.701 -5.470 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.778 9.788 -4.093 1.00 0.00 N ATOM 0 H LYS A 87 -7.555 3.578 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.960 4.384 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.430 6.105 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.561 6.008 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.379 6.938 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.150 7.161 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.826 8.387 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.343 8.430 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.934 10.554 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.387 9.779 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.560 9.990 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.332 8.885 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.073 10.551 -4.036 1.00 0.00 H new ATOM 1390 N ASP A 88 -11.191 4.644 -6.026 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.467 4.777 -6.915 1.00 0.00 C ATOM 1392 C ASP A 88 -12.188 5.337 -8.376 1.00 0.00 C ATOM 1393 O ASP A 88 -12.818 6.285 -8.766 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.502 5.676 -6.141 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.125 7.035 -5.662 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.493 8.009 -6.289 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.308 7.078 -4.598 1.00 0.00 O ATOM 0 H ASP A 88 -11.262 5.116 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.867 3.777 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.370 5.795 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.830 5.109 -5.270 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.293 4.712 -9.171 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.995 5.097 -10.562 1.00 0.00 C ATOM 1405 C GLY A 89 -9.964 4.075 -11.237 1.00 0.00 C ATOM 1406 O GLY A 89 -9.273 4.529 -12.174 1.00 0.00 O ATOM 0 H GLY A 89 -10.748 3.910 -8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.918 5.122 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.579 6.104 -10.582 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.804 2.798 -10.786 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.602 1.959 -11.085 1.00 0.00 C ATOM 1412 C LYS A 90 -7.212 2.438 -10.475 1.00 0.00 C ATOM 1413 O LYS A 90 -7.123 3.279 -9.563 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.696 1.340 -12.580 1.00 0.00 C ATOM 1415 CG LYS A 90 -8.158 -0.167 -12.673 1.00 0.00 C ATOM 1416 CD LYS A 90 -8.565 -0.829 -13.962 1.00 0.00 C ATOM 1417 CE LYS A 90 -10.070 -1.180 -14.079 1.00 0.00 C ATOM 1418 NZ LYS A 90 -10.524 -1.598 -15.475 1.00 0.00 N ATOM 0 H LYS A 90 -10.498 2.323 -10.209 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.624 1.069 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.733 1.370 -12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.122 1.967 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.071 -0.170 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.543 -0.743 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.296 -0.172 -14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.985 -1.744 -14.080 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.295 -1.987 -13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.656 -0.316 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.541 -1.813 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.345 -0.823 -16.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.996 -2.443 -15.773 1.00 0.00 H new ATOM 1431 N LEU A 91 -6.126 1.809 -10.995 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.710 2.140 -10.740 1.00 0.00 C ATOM 1433 C LEU A 91 -4.343 3.585 -11.149 1.00 0.00 C ATOM 1434 O LEU A 91 -4.065 4.003 -12.343 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.814 0.999 -11.384 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.253 1.118 -11.320 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.689 1.244 -9.883 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.566 -0.036 -12.018 1.00 0.00 C ATOM 0 H LEU A 91 -6.225 1.020 -11.634 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.510 2.151 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.090 0.058 -10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.093 0.918 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.034 2.049 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.603 1.322 -9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.099 2.135 -9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.968 0.364 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.485 0.088 -11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.855 -0.973 -11.542 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.862 -0.055 -13.067 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.270 4.474 -10.097 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.786 5.866 -10.115 1.00 0.00 C ATOM 1452 C VAL A 92 -2.231 6.158 -10.201 1.00 0.00 C ATOM 1453 O VAL A 92 -1.884 7.137 -10.885 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.464 6.842 -9.112 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -6.027 6.772 -9.272 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.201 6.781 -7.610 1.00 0.00 C ATOM 0 H VAL A 92 -4.572 4.199 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.147 6.087 -11.119 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.966 7.762 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.496 7.458 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.302 7.053 -10.289 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.368 5.756 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.780 7.556 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.495 5.803 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.140 6.941 -7.420 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.372 5.383 -9.486 1.00 0.00 N ATOM 1467 CA ASP A 93 0.114 5.713 -9.364 1.00 0.00 C ATOM 1468 C ASP A 93 1.032 4.508 -8.803 1.00 0.00 C ATOM 1469 O ASP A 93 0.536 3.597 -8.159 1.00 0.00 O ATOM 1470 CB ASP A 93 0.368 6.948 -8.488 1.00 0.00 C ATOM 1471 CG ASP A 93 1.788 7.554 -8.325 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.391 8.054 -9.296 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.277 7.549 -7.095 1.00 0.00 O ATOM 0 H ASP A 93 -1.654 4.539 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 93 0.409 5.907 -10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.273 7.743 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.012 6.704 -7.487 1.00 0.00 H new ATOM 1479 N LYS A 94 2.375 4.756 -8.882 1.00 0.00 N ATOM 1480 CA LYS A 94 3.420 3.751 -8.564 1.00 0.00 C ATOM 1481 C LYS A 94 4.729 4.460 -8.223 1.00 0.00 C ATOM 1482 O LYS A 94 5.132 5.390 -8.961 1.00 0.00 O ATOM 1483 CB LYS A 94 3.597 2.777 -9.779 1.00 0.00 C ATOM 1484 CG LYS A 94 4.050 3.277 -11.199 1.00 0.00 C ATOM 1485 CD LYS A 94 2.904 3.893 -12.062 1.00 0.00 C ATOM 1486 CE LYS A 94 1.864 2.837 -12.510 1.00 0.00 C ATOM 1487 NZ LYS A 94 1.120 3.442 -13.610 1.00 0.00 N ATOM 0 H LYS A 94 2.755 5.658 -9.168 1.00 0.00 H new ATOM 0 HA LYS A 94 3.119 3.163 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.317 2.019 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.641 2.271 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.835 4.022 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.488 2.440 -11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.402 4.673 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.334 4.371 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.355 1.918 -12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.198 2.573 -11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.402 2.772 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.653 4.310 -13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.774 3.676 -14.384 1.00 0.00 H new ATOM 1500 N THR A 95 5.460 4.040 -7.212 1.00 0.00 N ATOM 1501 CA THR A 95 6.769 4.613 -6.819 1.00 0.00 C ATOM 1502 C THR A 95 7.278 3.516 -5.827 1.00 0.00 C ATOM 1503 O THR A 95 6.668 3.051 -4.825 1.00 0.00 O ATOM 1504 CB THR A 95 6.741 6.048 -6.226 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.634 7.069 -7.236 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.934 6.507 -5.365 1.00 0.00 C ATOM 0 H THR A 95 5.168 3.269 -6.612 1.00 0.00 H new ATOM 0 HA THR A 95 7.423 4.799 -7.671 1.00 0.00 H new ATOM 0 HB THR A 95 5.865 5.947 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.139 6.718 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.766 7.529 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.034 5.850 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.847 6.468 -5.958 1.00 0.00 H new ATOM 1514 N VAL A 96 8.584 3.369 -6.009 1.00 0.00 N ATOM 1515 CA VAL A 96 9.460 2.283 -5.400 1.00 0.00 C ATOM 1516 C VAL A 96 10.725 2.955 -4.682 1.00 0.00 C ATOM 1517 O VAL A 96 11.791 3.266 -5.234 1.00 0.00 O ATOM 1518 CB VAL A 96 9.780 1.231 -6.563 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.060 1.810 -8.005 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.781 0.043 -6.201 1.00 0.00 C ATOM 0 H VAL A 96 9.116 4.007 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 96 8.973 1.723 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 96 8.792 0.775 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.262 0.990 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.188 2.367 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.924 2.474 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.914 -0.599 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.745 0.457 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.369 -0.542 -5.379 1.00 0.00 H new ATOM 1530 N GLY A 97 10.505 3.111 -3.344 1.00 0.00 N ATOM 1531 CA GLY A 97 11.531 3.523 -2.405 1.00 0.00 C ATOM 1532 C GLY A 97 11.049 3.894 -0.977 1.00 0.00 C ATOM 1533 O GLY A 97 10.439 4.928 -0.734 1.00 0.00 O ATOM 0 H GLY A 97 9.597 2.948 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.261 2.718 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.052 4.383 -2.824 1.00 0.00 H new ATOM 1537 N ALA A 98 11.357 2.968 -0.008 1.00 0.00 N ATOM 1538 CA ALA A 98 11.233 3.183 1.476 1.00 0.00 C ATOM 1539 C ALA A 98 12.165 4.304 2.018 1.00 0.00 C ATOM 1540 O ALA A 98 13.383 4.222 1.906 1.00 0.00 O ATOM 1541 CB ALA A 98 11.411 1.784 2.132 1.00 0.00 C ATOM 0 H ALA A 98 11.704 2.037 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 98 10.253 3.579 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.330 1.877 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.636 1.110 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.391 1.383 1.874 1.00 0.00 H new ATOM 1547 N ASP A 99 11.534 5.380 2.641 1.00 0.00 N ATOM 1548 CA ASP A 99 12.180 6.528 3.215 1.00 0.00 C ATOM 1549 C ASP A 99 11.128 7.129 4.060 1.00 0.00 C ATOM 1550 O ASP A 99 10.076 7.595 3.526 1.00 0.00 O ATOM 1551 CB ASP A 99 12.689 7.470 2.087 1.00 0.00 C ATOM 1552 CG ASP A 99 13.602 8.627 2.370 1.00 0.00 C ATOM 1553 OD1 ASP A 99 13.197 9.680 2.836 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.922 8.430 2.000 1.00 0.00 O ATOM 0 H ASP A 99 10.519 5.423 2.734 1.00 0.00 H new ATOM 0 HA ASP A 99 13.069 6.300 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.197 6.840 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.806 7.879 1.596 1.00 0.00 H new ATOM 1560 N LYS A 100 11.500 7.323 5.357 1.00 0.00 N ATOM 1561 CA LYS A 100 10.597 7.907 6.410 1.00 0.00 C ATOM 1562 C LYS A 100 9.672 9.176 6.124 1.00 0.00 C ATOM 1563 O LYS A 100 8.454 9.195 6.458 1.00 0.00 O ATOM 1564 CB LYS A 100 11.249 8.078 7.864 1.00 0.00 C ATOM 1565 CG LYS A 100 12.469 9.027 8.017 1.00 0.00 C ATOM 1566 CD LYS A 100 12.866 9.338 9.482 1.00 0.00 C ATOM 1567 CE LYS A 100 14.000 10.447 9.675 1.00 0.00 C ATOM 1568 NZ LYS A 100 14.291 10.622 11.157 1.00 0.00 N ATOM 0 H LYS A 100 12.427 7.083 5.708 1.00 0.00 H new ATOM 0 HA LYS A 100 9.901 7.070 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.468 8.429 8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.551 7.090 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.325 8.582 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.249 9.965 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.974 9.660 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.204 8.414 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.907 10.151 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.675 11.394 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.029 11.344 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.425 10.923 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.618 9.719 11.556 1.00 0.00 H new ATOM 1581 N ASP A 101 10.339 10.183 5.599 1.00 0.00 N ATOM 1582 CA ASP A 101 9.794 11.431 5.088 1.00 0.00 C ATOM 1583 C ASP A 101 9.092 11.361 3.741 1.00 0.00 C ATOM 1584 O ASP A 101 7.993 11.979 3.578 1.00 0.00 O ATOM 1585 CB ASP A 101 10.707 12.637 5.252 1.00 0.00 C ATOM 1586 CG ASP A 101 12.128 12.556 4.628 1.00 0.00 C ATOM 1587 OD1 ASP A 101 13.176 12.475 5.297 1.00 0.00 O ATOM 1588 OD2 ASP A 101 12.088 12.725 3.240 1.00 0.00 O ATOM 0 H ASP A 101 11.355 10.151 5.510 1.00 0.00 H new ATOM 0 HA ASP A 101 8.967 11.610 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.201 13.502 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.819 12.830 6.319 1.00 0.00 H new ATOM 1594 N GLY A 102 9.769 10.780 2.708 1.00 0.00 N ATOM 1595 CA GLY A 102 9.226 10.642 1.356 1.00 0.00 C ATOM 1596 C GLY A 102 7.846 10.027 1.187 1.00 0.00 C ATOM 1597 O GLY A 102 7.016 10.689 0.549 1.00 0.00 O ATOM 0 H GLY A 102 10.709 10.398 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.204 11.634 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.929 10.044 0.776 1.00 0.00 H new ATOM 1601 N LEU A 103 7.577 8.896 1.810 1.00 0.00 N ATOM 1602 CA LEU A 103 6.282 8.200 1.833 1.00 0.00 C ATOM 1603 C LEU A 103 5.043 9.091 2.335 1.00 0.00 C ATOM 1604 O LEU A 103 4.091 9.223 1.544 1.00 0.00 O ATOM 1605 CB LEU A 103 6.549 6.862 2.490 1.00 0.00 C ATOM 1606 CG LEU A 103 5.338 5.917 2.715 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.849 5.395 1.353 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.579 4.833 3.715 1.00 0.00 C ATOM 0 H LEU A 103 8.289 8.401 2.347 1.00 0.00 H new ATOM 0 HA LEU A 103 5.891 8.003 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.282 6.330 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.013 7.050 3.458 1.00 0.00 H new ATOM 0 HG LEU A 103 4.541 6.500 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.998 4.730 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.547 6.236 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.654 4.849 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.683 4.220 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.410 4.211 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.820 5.276 4.681 1.00 0.00 H new ATOM 1620 N PRO A 104 5.099 9.778 3.569 1.00 0.00 N ATOM 1621 CA PRO A 104 4.241 10.952 3.859 1.00 0.00 C ATOM 1622 C PRO A 104 4.071 12.084 2.808 1.00 0.00 C ATOM 1623 O PRO A 104 2.938 12.443 2.481 1.00 0.00 O ATOM 1624 CB PRO A 104 4.775 11.422 5.248 1.00 0.00 C ATOM 1625 CG PRO A 104 5.392 10.215 5.831 1.00 0.00 C ATOM 1626 CD PRO A 104 5.953 9.348 4.687 1.00 0.00 C ATOM 0 HA PRO A 104 3.195 10.645 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.501 12.228 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.969 11.799 5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.189 10.493 6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.655 9.653 6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.009 9.544 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.859 8.282 4.892 1.00 0.00 H new ATOM 1634 N THR A 105 5.172 12.640 2.259 1.00 0.00 N ATOM 1635 CA THR A 105 5.156 13.486 1.019 1.00 0.00 C ATOM 1636 C THR A 105 4.384 12.900 -0.282 1.00 0.00 C ATOM 1637 O THR A 105 3.490 13.657 -0.718 1.00 0.00 O ATOM 1638 CB THR A 105 6.605 14.030 0.711 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.988 14.793 1.865 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.733 14.964 -0.505 1.00 0.00 C ATOM 0 H THR A 105 6.105 12.522 2.654 1.00 0.00 H new ATOM 0 HA THR A 105 4.503 14.323 1.266 1.00 0.00 H new ATOM 0 HB THR A 105 7.225 13.163 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.888 15.158 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.772 15.274 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.411 14.438 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.106 15.843 -0.356 1.00 0.00 H new ATOM 1648 N LEU A 106 4.652 11.664 -0.724 1.00 0.00 N ATOM 1649 CA LEU A 106 3.878 10.894 -1.751 1.00 0.00 C ATOM 1650 C LEU A 106 2.367 10.750 -1.541 1.00 0.00 C ATOM 1651 O LEU A 106 1.565 11.144 -2.392 1.00 0.00 O ATOM 1652 CB LEU A 106 4.713 9.569 -1.951 1.00 0.00 C ATOM 1653 CG LEU A 106 4.180 8.621 -3.080 1.00 0.00 C ATOM 1654 CD1 LEU A 106 4.283 9.156 -4.520 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.880 7.263 -3.036 1.00 0.00 C ATOM 0 H LEU A 106 5.448 11.134 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 106 3.799 11.455 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.745 9.837 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.726 9.019 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 106 3.117 8.543 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.884 8.415 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.710 10.079 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.328 9.353 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.490 6.627 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.952 7.402 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.698 6.791 -2.071 1.00 0.00 H new ATOM 1667 N VAL A 107 1.952 10.117 -0.416 1.00 0.00 N ATOM 1668 CA VAL A 107 0.561 10.094 0.105 1.00 0.00 C ATOM 1669 C VAL A 107 -0.291 11.450 0.272 1.00 0.00 C ATOM 1670 O VAL A 107 -1.455 11.552 -0.137 1.00 0.00 O ATOM 1671 CB VAL A 107 0.528 9.216 1.407 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -0.814 9.154 2.128 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.958 7.826 1.138 1.00 0.00 C ATOM 0 H VAL A 107 2.597 9.591 0.174 1.00 0.00 H new ATOM 0 HA VAL A 107 0.007 9.665 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 107 1.225 9.732 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.724 8.522 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.112 10.158 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.567 8.737 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.922 7.249 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.292 7.375 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.977 7.829 0.751 1.00 0.00 H new ATOM 1683 N ALA A 108 0.273 12.513 0.942 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.289 13.895 0.974 1.00 0.00 C ATOM 1685 C ALA A 108 -0.630 14.479 -0.429 1.00 0.00 C ATOM 1686 O ALA A 108 -1.749 14.785 -0.714 1.00 0.00 O ATOM 1687 CB ALA A 108 0.755 14.759 1.763 1.00 0.00 C ATOM 0 H ALA A 108 1.137 12.424 1.476 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.260 13.895 1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.403 15.789 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.875 14.356 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.714 14.733 1.246 1.00 0.00 H new ATOM 1693 N LYS A 109 0.366 14.485 -1.424 1.00 0.00 N ATOM 1694 CA LYS A 109 0.114 14.652 -2.911 1.00 0.00 C ATOM 1695 C LYS A 109 -1.057 13.728 -3.449 1.00 0.00 C ATOM 1696 O LYS A 109 -1.959 14.247 -4.131 1.00 0.00 O ATOM 1697 CB LYS A 109 1.442 14.332 -3.665 1.00 0.00 C ATOM 1698 CG LYS A 109 2.569 15.334 -3.478 1.00 0.00 C ATOM 1699 CD LYS A 109 3.890 14.715 -3.957 1.00 0.00 C ATOM 1700 CE LYS A 109 5.003 15.801 -3.975 1.00 0.00 C ATOM 1701 NZ LYS A 109 6.292 15.161 -4.307 1.00 0.00 N ATOM 0 H LYS A 109 1.355 14.374 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.205 15.679 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.795 13.353 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.223 14.255 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.357 16.244 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.647 15.617 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.179 13.896 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.764 14.293 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.765 16.572 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.065 16.293 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.043 15.880 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.516 14.440 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.226 14.711 -5.242 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.129 12.377 -3.166 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.209 11.445 -3.509 1.00 0.00 C ATOM 1716 C HIS A 110 -3.652 11.738 -3.031 1.00 0.00 C ATOM 1717 O HIS A 110 -4.533 11.953 -3.901 1.00 0.00 O ATOM 1718 CB HIS A 110 -1.805 9.947 -3.499 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.343 9.381 -4.805 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.156 9.101 -5.932 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.073 9.742 -5.284 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.281 9.423 -6.907 1.00 0.00 C ATOM 1723 NE2 HIS A 110 0.027 9.780 -6.629 1.00 0.00 N ATOM 0 H HIS A 110 -0.377 11.908 -2.662 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.332 11.714 -4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.010 9.811 -2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.659 9.364 -3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.755 9.970 -4.630 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.611 9.402 -7.935 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.812 10.000 -7.242 1.00 0.00 H new ATOM 1731 N ALA A 111 -3.776 11.719 -1.688 1.00 0.00 N ATOM 1732 CA ALA A 111 -4.934 12.163 -0.941 1.00 0.00 C ATOM 1733 C ALA A 111 -5.509 13.571 -1.224 1.00 0.00 C ATOM 1734 O ALA A 111 -6.723 13.766 -1.159 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.657 11.902 0.595 1.00 0.00 C ATOM 0 H ALA A 111 -3.030 11.376 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.762 11.561 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.516 12.229 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.490 10.837 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.773 12.460 0.905 1.00 0.00 H new ATOM 1741 N THR A 112 -4.660 14.619 -1.418 1.00 0.00 N ATOM 1742 CA THR A 112 -5.053 15.970 -2.002 1.00 0.00 C ATOM 1743 C THR A 112 -5.729 15.832 -3.386 1.00 0.00 C ATOM 1744 O THR A 112 -6.819 16.380 -3.472 1.00 0.00 O ATOM 1745 CB THR A 112 -3.811 16.902 -1.950 1.00 0.00 C ATOM 1746 OG1 THR A 112 -3.299 16.805 -0.615 1.00 0.00 O ATOM 1747 CG2 THR A 112 -4.001 18.369 -2.363 1.00 0.00 C ATOM 0 H THR A 112 -3.670 14.567 -1.177 1.00 0.00 H new ATOM 0 HA THR A 112 -5.831 16.442 -1.402 1.00 0.00 H new ATOM 0 HB THR A 112 -3.121 16.551 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.434 16.345 -0.629 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.051 18.897 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.349 18.414 -3.395 1.00 0.00 H new ATOM 0 HG23 THR A 112 -4.738 18.838 -1.711 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.157 15.185 -4.426 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.798 14.753 -5.701 1.00 0.00 C ATOM 1757 C ALA A 113 -6.964 13.767 -5.629 1.00 0.00 C ATOM 1758 O ALA A 113 -6.924 12.619 -5.136 1.00 0.00 O ATOM 1759 CB ALA A 113 -4.603 14.327 -6.589 1.00 0.00 C ATOM 1760 OXT ALA A 113 -8.133 14.336 -6.115 1.00 0.00 O ATOM 0 H ALA A 113 -4.169 14.931 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.371 15.575 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.972 13.990 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.934 15.176 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.061 13.515 -6.104 1.00 0.00 H new TER 1767 ALA A 113