USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 28:sc= 0.473 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 22 SER OG : rot -136:sc= -2.24 USER MOD Single : A 24 SER OG : rot 8:sc= 1.13 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : A 30 GLN :FLIP amide:sc= 1.17 F(o=-0.00072,f=1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -139:sc= 0.0152 USER MOD Single : A 38 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.69) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 27:sc= 0.0243 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -112:sc= -3.13! (180deg=-5.77!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00967 USER MOD Single : A 58 ASN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -15:sc= -2.08 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.101 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.717 31.822 17.742 1.00 0.00 N ATOM 2 CA GLY A 1 -18.805 30.692 17.776 1.00 0.00 C ATOM 3 C GLY A 1 -17.454 31.058 17.159 1.00 0.00 C ATOM 4 O GLY A 1 -17.188 32.228 16.890 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.987 32.080 18.713 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.250 32.632 17.286 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.568 31.565 17.203 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.662 30.367 18.806 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.241 29.852 17.234 1.00 0.00 H new ATOM 8 N SER A 2 -16.636 30.036 16.954 1.00 0.00 N ATOM 9 CA SER A 2 -15.319 30.237 16.375 1.00 0.00 C ATOM 10 C SER A 2 -14.878 28.975 15.630 1.00 0.00 C ATOM 11 O SER A 2 -14.615 29.018 14.429 1.00 0.00 O ATOM 12 CB SER A 2 -14.294 30.604 17.449 1.00 0.00 C ATOM 13 OG SER A 2 -13.456 31.682 17.041 1.00 0.00 O ATOM 0 H SER A 2 -16.860 29.067 17.179 1.00 0.00 H new ATOM 0 HA SER A 2 -15.378 31.067 15.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.813 30.876 18.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.679 29.733 17.676 1.00 0.00 H new ATOM 0 HG SER A 2 -12.816 31.887 17.755 1.00 0.00 H new ATOM 18 N SER A 3 -14.810 27.880 16.374 1.00 0.00 N ATOM 19 CA SER A 3 -14.406 26.608 15.798 1.00 0.00 C ATOM 20 C SER A 3 -14.428 25.519 16.872 1.00 0.00 C ATOM 21 O SER A 3 -14.197 25.796 18.048 1.00 0.00 O ATOM 22 CB SER A 3 -13.015 26.706 15.169 1.00 0.00 C ATOM 23 OG SER A 3 -12.995 26.204 13.836 1.00 0.00 O ATOM 0 H SER A 3 -15.028 27.847 17.370 1.00 0.00 H new ATOM 0 HA SER A 3 -15.113 26.348 15.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.690 27.746 15.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.302 26.149 15.777 1.00 0.00 H new ATOM 0 HG SER A 3 -12.090 26.286 13.469 1.00 0.00 H new ATOM 28 N GLY A 4 -14.708 24.301 16.428 1.00 0.00 N ATOM 29 CA GLY A 4 -14.762 23.169 17.337 1.00 0.00 C ATOM 30 C GLY A 4 -14.975 21.862 16.570 1.00 0.00 C ATOM 31 O GLY A 4 -14.011 21.196 16.192 1.00 0.00 O ATOM 0 H GLY A 4 -14.899 24.075 15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.836 23.113 17.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.571 23.311 18.053 1.00 0.00 H new ATOM 35 N SER A 5 -16.240 21.532 16.364 1.00 0.00 N ATOM 36 CA SER A 5 -16.591 20.316 15.650 1.00 0.00 C ATOM 37 C SER A 5 -17.555 20.641 14.506 1.00 0.00 C ATOM 38 O SER A 5 -18.768 20.504 14.655 1.00 0.00 O ATOM 39 CB SER A 5 -17.213 19.283 16.591 1.00 0.00 C ATOM 40 OG SER A 5 -16.225 18.581 17.340 1.00 0.00 O ATOM 0 H SER A 5 -17.036 22.086 16.679 1.00 0.00 H new ATOM 0 HA SER A 5 -15.678 19.887 15.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.900 19.782 17.275 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.801 18.572 16.011 1.00 0.00 H new ATOM 0 HG SER A 5 -16.662 17.932 17.930 1.00 0.00 H new ATOM 45 N SER A 6 -16.979 21.063 13.391 1.00 0.00 N ATOM 46 CA SER A 6 -17.771 21.407 12.223 1.00 0.00 C ATOM 47 C SER A 6 -17.541 20.381 11.112 1.00 0.00 C ATOM 48 O SER A 6 -16.401 20.017 10.824 1.00 0.00 O ATOM 49 CB SER A 6 -17.435 22.814 11.723 1.00 0.00 C ATOM 50 OG SER A 6 -18.528 23.713 11.885 1.00 0.00 O ATOM 0 H SER A 6 -15.972 21.175 13.271 1.00 0.00 H new ATOM 0 HA SER A 6 -18.823 21.394 12.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.569 23.194 12.265 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.157 22.768 10.670 1.00 0.00 H new ATOM 0 HG SER A 6 -18.273 24.600 11.556 1.00 0.00 H new ATOM 55 N GLY A 7 -18.640 19.941 10.517 1.00 0.00 N ATOM 56 CA GLY A 7 -18.572 18.964 9.444 1.00 0.00 C ATOM 57 C GLY A 7 -19.167 19.526 8.153 1.00 0.00 C ATOM 58 O GLY A 7 -20.300 19.206 7.796 1.00 0.00 O ATOM 0 H GLY A 7 -19.584 20.244 10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.534 18.676 9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.110 18.062 9.734 1.00 0.00 H new ATOM 62 N THR A 8 -18.377 20.355 7.486 1.00 0.00 N ATOM 63 CA THR A 8 -18.811 20.964 6.240 1.00 0.00 C ATOM 64 C THR A 8 -18.585 20.006 5.069 1.00 0.00 C ATOM 65 O THR A 8 -17.576 19.304 5.025 1.00 0.00 O ATOM 66 CB THR A 8 -18.077 22.297 6.085 1.00 0.00 C ATOM 67 OG1 THR A 8 -16.775 21.928 5.642 1.00 0.00 O ATOM 68 CG2 THR A 8 -17.831 22.991 7.427 1.00 0.00 C ATOM 0 H THR A 8 -17.438 20.619 7.785 1.00 0.00 H new ATOM 0 HA THR A 8 -19.882 21.165 6.251 1.00 0.00 H new ATOM 0 HB THR A 8 -18.655 22.955 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.232 22.734 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.307 23.932 7.259 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.786 23.189 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.225 22.347 8.064 1.00 0.00 H new ATOM 76 N CYS A 9 -19.539 20.008 4.152 1.00 0.00 N ATOM 77 CA CYS A 9 -19.457 19.148 2.984 1.00 0.00 C ATOM 78 C CYS A 9 -18.257 19.592 2.144 1.00 0.00 C ATOM 79 O CYS A 9 -18.123 20.771 1.822 1.00 0.00 O ATOM 80 CB CYS A 9 -20.756 19.163 2.176 1.00 0.00 C ATOM 81 SG CYS A 9 -21.078 20.849 1.542 1.00 0.00 S ATOM 0 H CYS A 9 -20.374 20.592 4.194 1.00 0.00 H new ATOM 0 HA CYS A 9 -19.316 18.114 3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -20.686 18.460 1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -21.587 18.836 2.801 1.00 0.00 H new ATOM 0 HG CYS A 9 -19.951 21.479 1.391 1.00 0.00 H new ATOM 86 N VAL A 10 -17.416 18.623 1.814 1.00 0.00 N ATOM 87 CA VAL A 10 -16.231 18.898 1.018 1.00 0.00 C ATOM 88 C VAL A 10 -16.254 18.028 -0.240 1.00 0.00 C ATOM 89 O VAL A 10 -16.810 16.930 -0.230 1.00 0.00 O ATOM 90 CB VAL A 10 -14.974 18.695 1.864 1.00 0.00 C ATOM 91 CG1 VAL A 10 -13.712 18.818 1.007 1.00 0.00 C ATOM 92 CG2 VAL A 10 -14.938 19.674 3.038 1.00 0.00 C ATOM 0 H VAL A 10 -17.531 17.646 2.083 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.222 19.938 0.693 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.005 17.685 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.832 18.670 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.731 18.063 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.674 19.810 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.033 19.508 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.942 20.696 2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.812 19.517 3.670 1.00 0.00 H new ATOM 102 N PHE A 11 -15.644 18.551 -1.293 1.00 0.00 N ATOM 103 CA PHE A 11 -15.586 17.835 -2.557 1.00 0.00 C ATOM 104 C PHE A 11 -14.690 18.564 -3.560 1.00 0.00 C ATOM 105 O PHE A 11 -14.712 19.791 -3.641 1.00 0.00 O ATOM 106 CB PHE A 11 -17.012 17.785 -3.108 1.00 0.00 C ATOM 107 CG PHE A 11 -17.241 18.684 -4.324 1.00 0.00 C ATOM 108 CD1 PHE A 11 -16.851 18.268 -5.560 1.00 0.00 C ATOM 109 CD2 PHE A 11 -17.833 19.898 -4.171 1.00 0.00 C ATOM 110 CE1 PHE A 11 -17.064 19.103 -6.688 1.00 0.00 C ATOM 111 CE2 PHE A 11 -18.046 20.733 -5.300 1.00 0.00 C ATOM 112 CZ PHE A 11 -17.657 20.318 -6.536 1.00 0.00 C ATOM 0 H PHE A 11 -15.185 19.462 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 11 -15.174 16.838 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -17.250 16.756 -3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -17.706 18.075 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -16.380 17.304 -5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.142 20.228 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.755 18.773 -7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.517 21.697 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.819 20.952 -7.395 1.00 0.00 H new ATOM 121 N GLU A 12 -13.922 17.777 -4.299 1.00 0.00 N ATOM 122 CA GLU A 12 -13.019 18.332 -5.294 1.00 0.00 C ATOM 123 C GLU A 12 -12.453 17.219 -6.178 1.00 0.00 C ATOM 124 O GLU A 12 -12.501 16.046 -5.810 1.00 0.00 O ATOM 125 CB GLU A 12 -11.895 19.130 -4.629 1.00 0.00 C ATOM 126 CG GLU A 12 -11.899 20.583 -5.108 1.00 0.00 C ATOM 127 CD GLU A 12 -10.484 21.167 -5.097 1.00 0.00 C ATOM 128 OE1 GLU A 12 -10.067 21.626 -4.012 1.00 0.00 O ATOM 129 OE2 GLU A 12 -9.852 21.141 -6.176 1.00 0.00 O ATOM 0 H GLU A 12 -13.906 16.760 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.583 19.018 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.014 19.100 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.933 18.670 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.311 20.636 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.548 21.180 -4.467 1.00 0.00 H new ATOM 134 N LYS A 13 -11.931 17.626 -7.325 1.00 0.00 N ATOM 135 CA LYS A 13 -11.357 16.677 -8.263 1.00 0.00 C ATOM 136 C LYS A 13 -9.991 16.219 -7.749 1.00 0.00 C ATOM 137 O LYS A 13 -8.978 16.394 -8.424 1.00 0.00 O ATOM 138 CB LYS A 13 -11.313 17.275 -9.672 1.00 0.00 C ATOM 139 CG LYS A 13 -11.178 16.178 -10.729 1.00 0.00 C ATOM 140 CD LYS A 13 -12.525 15.503 -10.995 1.00 0.00 C ATOM 141 CE LYS A 13 -12.339 14.022 -11.334 1.00 0.00 C ATOM 142 NZ LYS A 13 -12.727 13.759 -12.737 1.00 0.00 N ATOM 0 H LYS A 13 -11.893 18.600 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.985 15.789 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.220 17.851 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.474 17.967 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.793 16.606 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.454 15.434 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.165 15.601 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.032 16.007 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.299 13.735 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.942 13.411 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.595 12.750 -12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.726 14.014 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.134 14.328 -13.374 1.00 0.00 H new ATOM 152 N GLU A 14 -10.008 15.642 -6.556 1.00 0.00 N ATOM 153 CA GLU A 14 -8.783 15.157 -5.942 1.00 0.00 C ATOM 154 C GLU A 14 -9.048 13.855 -5.184 1.00 0.00 C ATOM 155 O GLU A 14 -10.192 13.545 -4.854 1.00 0.00 O ATOM 156 CB GLU A 14 -8.177 16.216 -5.018 1.00 0.00 C ATOM 157 CG GLU A 14 -7.097 17.022 -5.741 1.00 0.00 C ATOM 158 CD GLU A 14 -6.610 18.187 -4.876 1.00 0.00 C ATOM 159 OE1 GLU A 14 -6.539 17.987 -3.645 1.00 0.00 O ATOM 160 OE2 GLU A 14 -6.319 19.249 -5.467 1.00 0.00 O ATOM 0 H GLU A 14 -10.850 15.499 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.060 14.953 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.960 16.886 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.749 15.734 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.257 16.372 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.492 17.404 -6.682 1.00 0.00 H new ATOM 165 N ASN A 15 -7.971 13.126 -4.930 1.00 0.00 N ATOM 166 CA ASN A 15 -8.073 11.864 -4.217 1.00 0.00 C ATOM 167 C ASN A 15 -7.159 11.901 -2.991 1.00 0.00 C ATOM 168 O ASN A 15 -6.325 12.795 -2.859 1.00 0.00 O ATOM 169 CB ASN A 15 -7.632 10.695 -5.100 1.00 0.00 C ATOM 170 CG ASN A 15 -8.637 10.451 -6.228 1.00 0.00 C ATOM 171 OD1 ASN A 15 -8.667 11.148 -7.229 1.00 0.00 O ATOM 172 ND2 ASN A 15 -9.456 9.427 -6.011 1.00 0.00 N ATOM 0 H ASN A 15 -7.024 13.385 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.114 11.724 -3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.649 10.904 -5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.533 9.794 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.163 9.184 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.377 8.884 -5.151 1.00 0.00 H new ATOM 178 N ASP A 16 -7.346 10.917 -2.123 1.00 0.00 N ATOM 179 CA ASP A 16 -6.548 10.825 -0.912 1.00 0.00 C ATOM 180 C ASP A 16 -5.646 9.592 -0.993 1.00 0.00 C ATOM 181 O ASP A 16 -6.133 8.470 -1.118 1.00 0.00 O ATOM 182 CB ASP A 16 -7.438 10.679 0.324 1.00 0.00 C ATOM 183 CG ASP A 16 -6.865 11.283 1.608 1.00 0.00 C ATOM 184 OD1 ASP A 16 -5.757 11.854 1.522 1.00 0.00 O ATOM 185 OD2 ASP A 16 -7.549 11.160 2.647 1.00 0.00 O ATOM 0 H ASP A 16 -8.039 10.177 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.959 11.738 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.400 11.148 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.629 9.619 0.493 1.00 0.00 H new ATOM 189 N PRO A 17 -4.313 9.849 -0.915 1.00 0.00 N ATOM 190 CA PRO A 17 -3.338 8.773 -0.978 1.00 0.00 C ATOM 191 C PRO A 17 -3.299 7.991 0.337 1.00 0.00 C ATOM 192 O PRO A 17 -2.238 7.836 0.939 1.00 0.00 O ATOM 193 CB PRO A 17 -2.019 9.456 -1.302 1.00 0.00 C ATOM 194 CG PRO A 17 -2.211 10.921 -0.951 1.00 0.00 C ATOM 195 CD PRO A 17 -3.700 11.165 -0.766 1.00 0.00 C ATOM 0 HA PRO A 17 -3.582 8.028 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.202 9.020 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.766 9.337 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.667 11.170 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.815 11.558 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.912 11.592 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.082 11.866 -1.508 1.00 0.00 H new ATOM 200 N THR A 18 -4.469 7.520 0.742 1.00 0.00 N ATOM 201 CA THR A 18 -4.582 6.757 1.974 1.00 0.00 C ATOM 202 C THR A 18 -4.980 5.311 1.672 1.00 0.00 C ATOM 203 O THR A 18 -4.319 4.375 2.119 1.00 0.00 O ATOM 204 CB THR A 18 -5.570 7.482 2.889 1.00 0.00 C ATOM 205 OG1 THR A 18 -6.710 7.702 2.063 1.00 0.00 O ATOM 206 CG2 THR A 18 -5.102 8.890 3.261 1.00 0.00 C ATOM 0 H THR A 18 -5.347 7.652 0.239 1.00 0.00 H new ATOM 0 HA THR A 18 -3.624 6.695 2.490 1.00 0.00 H new ATOM 0 HB THR A 18 -5.718 6.898 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.402 8.167 2.578 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.840 9.359 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.146 8.830 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.985 9.486 2.356 1.00 0.00 H new ATOM 214 N VAL A 19 -6.060 5.174 0.916 1.00 0.00 N ATOM 215 CA VAL A 19 -6.554 3.859 0.549 1.00 0.00 C ATOM 216 C VAL A 19 -5.791 3.356 -0.678 1.00 0.00 C ATOM 217 O VAL A 19 -5.971 3.873 -1.780 1.00 0.00 O ATOM 218 CB VAL A 19 -8.068 3.909 0.333 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.432 4.919 -0.756 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.622 2.523 0.002 1.00 0.00 C ATOM 0 H VAL A 19 -6.606 5.953 0.548 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.378 3.147 1.355 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.528 4.239 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.514 4.935 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.088 5.911 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.954 4.632 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.700 2.588 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.152 2.151 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.410 1.840 0.825 1.00 0.00 H new ATOM 230 N LEU A 20 -4.956 2.353 -0.447 1.00 0.00 N ATOM 231 CA LEU A 20 -4.166 1.775 -1.520 1.00 0.00 C ATOM 232 C LEU A 20 -5.071 0.917 -2.408 1.00 0.00 C ATOM 233 O LEU A 20 -5.205 -0.285 -2.186 1.00 0.00 O ATOM 234 CB LEU A 20 -2.964 1.018 -0.952 1.00 0.00 C ATOM 235 CG LEU A 20 -1.653 1.802 -0.875 1.00 0.00 C ATOM 236 CD1 LEU A 20 -0.795 1.322 0.298 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.896 1.736 -2.203 1.00 0.00 C ATOM 0 H LEU A 20 -4.810 1.926 0.468 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.749 2.559 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.218 0.673 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.798 0.130 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.892 2.850 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.131 1.896 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.342 1.463 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.563 0.265 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.032 2.301 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.668 0.697 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.512 2.163 -2.995 1.00 0.00 H new ATOM 248 N ARG A 21 -5.666 1.568 -3.396 1.00 0.00 N ATOM 249 CA ARG A 21 -6.552 0.880 -4.318 1.00 0.00 C ATOM 250 C ARG A 21 -5.741 0.073 -5.333 1.00 0.00 C ATOM 251 O ARG A 21 -4.622 0.451 -5.680 1.00 0.00 O ATOM 252 CB ARG A 21 -7.449 1.872 -5.064 1.00 0.00 C ATOM 253 CG ARG A 21 -8.535 2.428 -4.143 1.00 0.00 C ATOM 254 CD ARG A 21 -9.576 3.219 -4.939 1.00 0.00 C ATOM 255 NE ARG A 21 -10.720 3.570 -4.067 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.686 2.712 -3.713 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.652 1.447 -4.154 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.685 3.118 -2.919 1.00 0.00 N ATOM 0 H ARG A 21 -5.552 2.565 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.180 0.207 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.845 2.691 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.910 1.379 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.022 1.609 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.083 3.072 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.125 4.125 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.922 2.629 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.776 4.525 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.891 1.138 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.387 0.793 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.711 4.081 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.420 2.464 -2.650 1.00 0.00 H new ATOM 269 N SER A 22 -6.335 -1.022 -5.783 1.00 0.00 N ATOM 270 CA SER A 22 -5.681 -1.885 -6.751 1.00 0.00 C ATOM 271 C SER A 22 -5.643 -1.201 -8.120 1.00 0.00 C ATOM 272 O SER A 22 -6.687 -0.942 -8.717 1.00 0.00 O ATOM 273 CB SER A 22 -6.391 -3.237 -6.853 1.00 0.00 C ATOM 274 OG SER A 22 -5.852 -4.047 -7.894 1.00 0.00 O ATOM 0 H SER A 22 -7.263 -1.332 -5.495 1.00 0.00 H new ATOM 0 HA SER A 22 -4.661 -2.066 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.305 -3.764 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.454 -3.075 -7.033 1.00 0.00 H new ATOM 0 HG SER A 22 -6.583 -4.465 -8.395 1.00 0.00 H new ATOM 279 N PRO A 23 -4.398 -0.923 -8.588 1.00 0.00 N ATOM 280 CA PRO A 23 -4.210 -0.274 -9.876 1.00 0.00 C ATOM 281 C PRO A 23 -4.461 -1.253 -11.024 1.00 0.00 C ATOM 282 O PRO A 23 -4.649 -0.839 -12.168 1.00 0.00 O ATOM 283 CB PRO A 23 -2.785 0.254 -9.846 1.00 0.00 C ATOM 284 CG PRO A 23 -2.078 -0.515 -8.741 1.00 0.00 C ATOM 285 CD PRO A 23 -3.139 -1.216 -7.908 1.00 0.00 C ATOM 0 HA PRO A 23 -4.918 0.538 -10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.292 0.101 -10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.770 1.326 -9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.384 -1.241 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.491 0.162 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.957 -2.289 -7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.147 -0.845 -6.883 1.00 0.00 H new ATOM 290 N SER A 24 -4.455 -2.533 -10.681 1.00 0.00 N ATOM 291 CA SER A 24 -4.679 -3.574 -11.669 1.00 0.00 C ATOM 292 C SER A 24 -5.029 -4.891 -10.973 1.00 0.00 C ATOM 293 O SER A 24 -4.630 -5.117 -9.831 1.00 0.00 O ATOM 294 CB SER A 24 -3.453 -3.756 -12.565 1.00 0.00 C ATOM 295 OG SER A 24 -3.346 -2.724 -13.541 1.00 0.00 O ATOM 0 H SER A 24 -4.298 -2.873 -9.732 1.00 0.00 H new ATOM 0 HA SER A 24 -5.515 -3.272 -12.300 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.553 -3.768 -11.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.510 -4.723 -13.065 1.00 0.00 H new ATOM 0 HG SER A 24 -4.019 -2.034 -13.363 1.00 0.00 H new ATOM 300 N ALA A 25 -5.768 -5.724 -11.689 1.00 0.00 N ATOM 301 CA ALA A 25 -6.175 -7.013 -11.154 1.00 0.00 C ATOM 302 C ALA A 25 -4.933 -7.865 -10.890 1.00 0.00 C ATOM 303 O ALA A 25 -3.810 -7.420 -11.118 1.00 0.00 O ATOM 304 CB ALA A 25 -7.148 -7.684 -12.124 1.00 0.00 C ATOM 0 H ALA A 25 -6.096 -5.532 -12.636 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.696 -6.888 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.453 -8.650 -11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.026 -7.052 -12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.659 -7.829 -13.087 1.00 0.00 H new ATOM 310 N GLY A 26 -5.177 -9.077 -10.411 1.00 0.00 N ATOM 311 CA GLY A 26 -4.092 -9.997 -10.114 1.00 0.00 C ATOM 312 C GLY A 26 -4.510 -11.011 -9.047 1.00 0.00 C ATOM 313 O GLY A 26 -5.593 -11.588 -9.124 1.00 0.00 O ATOM 0 H GLY A 26 -6.110 -9.443 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.796 -10.521 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.221 -9.439 -9.769 1.00 0.00 H new ATOM 317 N LYS A 27 -3.628 -11.195 -8.074 1.00 0.00 N ATOM 318 CA LYS A 27 -3.893 -12.129 -6.993 1.00 0.00 C ATOM 319 C LYS A 27 -2.914 -11.865 -5.846 1.00 0.00 C ATOM 320 O LYS A 27 -1.709 -12.053 -5.999 1.00 0.00 O ATOM 321 CB LYS A 27 -3.860 -13.570 -7.508 1.00 0.00 C ATOM 322 CG LYS A 27 -5.271 -14.160 -7.573 1.00 0.00 C ATOM 323 CD LYS A 27 -5.373 -15.214 -8.678 1.00 0.00 C ATOM 324 CE LYS A 27 -5.355 -16.627 -8.092 1.00 0.00 C ATOM 325 NZ LYS A 27 -5.639 -17.628 -9.144 1.00 0.00 N ATOM 0 H LYS A 27 -2.731 -10.714 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.898 -11.979 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.405 -13.596 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.236 -14.180 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.526 -14.608 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.994 -13.365 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.292 -15.063 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.544 -15.095 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.382 -16.829 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.096 -16.707 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.623 -18.582 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.577 -17.444 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.917 -17.563 -9.889 1.00 0.00 H new ATOM 335 N LEU A 28 -3.471 -11.432 -4.724 1.00 0.00 N ATOM 336 CA LEU A 28 -2.663 -11.140 -3.552 1.00 0.00 C ATOM 337 C LEU A 28 -1.940 -12.413 -3.106 1.00 0.00 C ATOM 338 O LEU A 28 -2.357 -13.519 -3.447 1.00 0.00 O ATOM 339 CB LEU A 28 -3.519 -10.503 -2.457 1.00 0.00 C ATOM 340 CG LEU A 28 -2.756 -9.905 -1.272 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.975 -8.660 -1.697 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.698 -9.618 -0.102 1.00 0.00 C ATOM 0 H LEU A 28 -4.472 -11.276 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.895 -10.405 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.124 -9.717 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.208 -11.257 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.029 -10.640 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.442 -8.254 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.260 -8.927 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.667 -7.911 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.131 -9.194 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.464 -8.910 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.172 -10.546 0.220 1.00 0.00 H new ATOM 353 N THR A 29 -0.870 -12.215 -2.351 1.00 0.00 N ATOM 354 CA THR A 29 -0.087 -13.332 -1.854 1.00 0.00 C ATOM 355 C THR A 29 0.336 -13.086 -0.405 1.00 0.00 C ATOM 356 O THR A 29 -0.041 -13.837 0.493 1.00 0.00 O ATOM 357 CB THR A 29 1.094 -13.542 -2.805 1.00 0.00 C ATOM 358 OG1 THR A 29 1.802 -12.305 -2.756 1.00 0.00 O ATOM 359 CG2 THR A 29 0.655 -13.662 -4.265 1.00 0.00 C ATOM 0 H THR A 29 -0.527 -11.296 -2.071 1.00 0.00 H new ATOM 0 HA THR A 29 -0.675 -14.249 -1.835 1.00 0.00 H new ATOM 0 HB THR A 29 1.639 -14.440 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.585 -12.353 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.531 -13.810 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.019 -14.512 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.140 -12.750 -4.566 1.00 0.00 H new ATOM 367 N GLN A 30 1.116 -12.029 -0.222 1.00 0.00 N ATOM 368 CA GLN A 30 1.594 -11.673 1.103 1.00 0.00 C ATOM 369 C GLN A 30 2.201 -10.269 1.090 1.00 0.00 C ATOM 370 O GLN A 30 2.174 -9.588 0.066 1.00 0.00 O ATOM 371 CB GLN A 30 2.605 -12.702 1.616 1.00 0.00 C ATOM 372 CG GLN A 30 3.892 -12.665 0.789 1.00 0.00 C ATOM 373 CD GLN A 30 5.072 -13.225 1.586 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.367 -14.490 1.300 1.00 0.00 O flip ATOM 375 NE2 GLN A 30 5.674 -12.553 2.408 1.00 0.00 N flip ATOM 0 H GLN A 30 1.428 -11.409 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 30 0.745 -11.674 1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.835 -12.501 2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.168 -13.700 1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.758 -13.244 -0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.106 -11.639 0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.395 -11.587 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.456 -12.958 2.924 1.00 0.00 H new ATOM 382 N TYR A 31 2.734 -9.877 2.238 1.00 0.00 N ATOM 383 CA TYR A 31 3.346 -8.567 2.370 1.00 0.00 C ATOM 384 C TYR A 31 4.848 -8.686 2.630 1.00 0.00 C ATOM 385 O TYR A 31 5.377 -9.791 2.735 1.00 0.00 O ATOM 386 CB TYR A 31 2.681 -7.911 3.582 1.00 0.00 C ATOM 387 CG TYR A 31 2.465 -8.861 4.762 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.547 -9.319 5.486 1.00 0.00 C ATOM 389 CD2 TYR A 31 1.188 -9.259 5.104 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.344 -10.213 6.597 1.00 0.00 C ATOM 391 CE2 TYR A 31 0.985 -10.152 6.214 1.00 0.00 C ATOM 392 CZ TYR A 31 2.073 -10.585 6.905 1.00 0.00 C ATOM 393 OH TYR A 31 1.881 -11.429 7.955 1.00 0.00 O ATOM 0 H TYR A 31 2.754 -10.444 3.085 1.00 0.00 H new ATOM 0 HA TYR A 31 3.214 -7.988 1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.295 -7.073 3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.718 -7.501 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.546 -9.007 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.341 -8.900 4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.182 -10.579 7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.009 -10.471 6.492 1.00 0.00 H new ATOM 0 HH TYR A 31 0.923 -11.608 8.060 1.00 0.00 H new ATOM 402 N THR A 32 5.494 -7.533 2.727 1.00 0.00 N ATOM 403 CA THR A 32 6.926 -7.495 2.973 1.00 0.00 C ATOM 404 C THR A 32 7.232 -6.645 4.208 1.00 0.00 C ATOM 405 O THR A 32 8.394 -6.376 4.507 1.00 0.00 O ATOM 406 CB THR A 32 7.611 -6.990 1.702 1.00 0.00 C ATOM 407 OG1 THR A 32 7.381 -5.585 1.719 1.00 0.00 O ATOM 408 CG2 THR A 32 6.908 -7.467 0.429 1.00 0.00 C ATOM 0 H THR A 32 5.052 -6.618 2.640 1.00 0.00 H new ATOM 0 HA THR A 32 7.316 -8.488 3.196 1.00 0.00 H new ATOM 0 HB THR A 32 8.648 -7.325 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.165 -5.278 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.434 -7.081 -0.444 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.908 -8.557 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.880 -7.104 0.423 1.00 0.00 H new ATOM 416 N VAL A 33 6.169 -6.245 4.890 1.00 0.00 N ATOM 417 CA VAL A 33 6.310 -5.431 6.085 1.00 0.00 C ATOM 418 C VAL A 33 5.542 -6.084 7.236 1.00 0.00 C ATOM 419 O VAL A 33 4.611 -6.854 7.007 1.00 0.00 O ATOM 420 CB VAL A 33 5.853 -3.999 5.799 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.285 -3.555 4.400 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.341 -3.860 5.976 1.00 0.00 C ATOM 0 H VAL A 33 5.207 -6.469 4.638 1.00 0.00 H new ATOM 0 HA VAL A 33 7.356 -5.371 6.385 1.00 0.00 H new ATOM 0 HB VAL A 33 6.336 -3.343 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.948 -2.534 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.372 -3.597 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.844 -4.218 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.043 -2.833 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.831 -4.533 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.070 -4.115 7.000 1.00 0.00 H new ATOM 432 N GLU A 34 5.961 -5.752 8.449 1.00 0.00 N ATOM 433 CA GLU A 34 5.325 -6.297 9.635 1.00 0.00 C ATOM 434 C GLU A 34 4.142 -5.421 10.054 1.00 0.00 C ATOM 435 O GLU A 34 3.853 -4.414 9.408 1.00 0.00 O ATOM 436 CB GLU A 34 6.331 -6.443 10.779 1.00 0.00 C ATOM 437 CG GLU A 34 6.785 -7.897 10.926 1.00 0.00 C ATOM 438 CD GLU A 34 8.308 -8.008 10.823 1.00 0.00 C ATOM 439 OE1 GLU A 34 8.977 -7.560 11.779 1.00 0.00 O ATOM 440 OE2 GLU A 34 8.768 -8.540 9.790 1.00 0.00 O ATOM 0 H GLU A 34 6.733 -5.112 8.635 1.00 0.00 H new ATOM 0 HA GLU A 34 4.949 -7.292 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.195 -5.805 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.880 -6.103 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.452 -8.291 11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.319 -8.507 10.153 1.00 0.00 H new ATOM 445 N ASP A 35 3.492 -5.834 11.132 1.00 0.00 N ATOM 446 CA ASP A 35 2.348 -5.099 11.643 1.00 0.00 C ATOM 447 C ASP A 35 2.690 -3.609 11.702 1.00 0.00 C ATOM 448 O ASP A 35 3.741 -3.229 12.216 1.00 0.00 O ATOM 449 CB ASP A 35 1.987 -5.557 13.057 1.00 0.00 C ATOM 450 CG ASP A 35 2.164 -7.054 13.318 1.00 0.00 C ATOM 451 OD1 ASP A 35 1.793 -7.836 12.414 1.00 0.00 O ATOM 452 OD2 ASP A 35 2.668 -7.385 14.413 1.00 0.00 O ATOM 0 H ASP A 35 3.736 -6.668 11.666 1.00 0.00 H new ATOM 0 HA ASP A 35 1.504 -5.282 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.600 -5.005 13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.949 -5.289 13.255 1.00 0.00 H new ATOM 456 N GLY A 36 1.782 -2.804 11.170 1.00 0.00 N ATOM 457 CA GLY A 36 1.975 -1.364 11.156 1.00 0.00 C ATOM 458 C GLY A 36 3.341 -1.000 10.574 1.00 0.00 C ATOM 459 O GLY A 36 4.010 -0.095 11.071 1.00 0.00 O ATOM 0 H GLY A 36 0.911 -3.122 10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.188 -0.894 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.892 -0.972 12.170 1.00 0.00 H new ATOM 463 N GLY A 37 3.717 -1.722 9.528 1.00 0.00 N ATOM 464 CA GLY A 37 4.992 -1.486 8.874 1.00 0.00 C ATOM 465 C GLY A 37 5.017 -0.113 8.200 1.00 0.00 C ATOM 466 O GLY A 37 4.064 0.266 7.519 1.00 0.00 O ATOM 0 H GLY A 37 3.160 -2.471 9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.797 -1.551 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.173 -2.263 8.131 1.00 0.00 H new ATOM 470 N HIS A 38 6.116 0.596 8.413 1.00 0.00 N ATOM 471 CA HIS A 38 6.277 1.919 7.834 1.00 0.00 C ATOM 472 C HIS A 38 7.302 1.862 6.700 1.00 0.00 C ATOM 473 O HIS A 38 8.378 1.288 6.860 1.00 0.00 O ATOM 474 CB HIS A 38 6.641 2.943 8.912 1.00 0.00 C ATOM 475 CG HIS A 38 6.776 4.355 8.397 1.00 0.00 C ATOM 476 ND1 HIS A 38 5.808 5.323 8.599 1.00 0.00 N ATOM 477 CD2 HIS A 38 7.776 4.953 7.687 1.00 0.00 C ATOM 478 CE1 HIS A 38 6.216 6.448 8.031 1.00 0.00 C ATOM 479 NE2 HIS A 38 7.436 6.217 7.465 1.00 0.00 N ATOM 0 H HIS A 38 6.904 0.279 8.979 1.00 0.00 H new ATOM 0 HA HIS A 38 5.331 2.250 7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.878 2.923 9.690 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.580 2.646 9.378 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.690 4.478 7.361 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.677 7.384 8.018 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.994 6.902 6.956 1.00 0.00 H new ATOM 486 N VAL A 39 6.933 2.467 5.581 1.00 0.00 N ATOM 487 CA VAL A 39 7.807 2.491 4.420 1.00 0.00 C ATOM 488 C VAL A 39 7.801 3.896 3.814 1.00 0.00 C ATOM 489 O VAL A 39 7.182 4.809 4.359 1.00 0.00 O ATOM 490 CB VAL A 39 7.387 1.409 3.425 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.587 0.012 4.017 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.939 1.610 2.974 1.00 0.00 C ATOM 0 H VAL A 39 6.041 2.944 5.453 1.00 0.00 H new ATOM 0 HA VAL A 39 8.833 2.265 4.709 1.00 0.00 H new ATOM 0 HB VAL A 39 8.027 1.496 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.281 -0.739 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.639 -0.131 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.984 -0.090 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.666 0.827 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.278 1.563 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.839 2.583 2.494 1.00 0.00 H new ATOM 502 N GLU A 40 8.498 4.026 2.695 1.00 0.00 N ATOM 503 CA GLU A 40 8.582 5.303 2.008 1.00 0.00 C ATOM 504 C GLU A 40 7.860 5.230 0.661 1.00 0.00 C ATOM 505 O GLU A 40 7.706 4.150 0.093 1.00 0.00 O ATOM 506 CB GLU A 40 10.039 5.734 1.826 1.00 0.00 C ATOM 507 CG GLU A 40 10.638 6.213 3.151 1.00 0.00 C ATOM 508 CD GLU A 40 11.838 7.132 2.909 1.00 0.00 C ATOM 509 OE1 GLU A 40 11.599 8.263 2.435 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.965 6.682 3.204 1.00 0.00 O ATOM 0 H GLU A 40 9.010 3.267 2.247 1.00 0.00 H new ATOM 0 HA GLU A 40 8.089 6.056 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.623 4.899 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.096 6.533 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.879 6.743 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.947 5.354 3.746 1.00 0.00 H new ATOM 515 N ALA A 41 7.437 6.394 0.190 1.00 0.00 N ATOM 516 CA ALA A 41 6.734 6.475 -1.080 1.00 0.00 C ATOM 517 C ALA A 41 7.672 6.033 -2.206 1.00 0.00 C ATOM 518 O ALA A 41 8.424 6.843 -2.745 1.00 0.00 O ATOM 519 CB ALA A 41 6.209 7.898 -1.283 1.00 0.00 C ATOM 0 H ALA A 41 7.567 7.288 0.664 1.00 0.00 H new ATOM 0 HA ALA A 41 5.873 5.806 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.682 7.959 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.526 8.153 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.045 8.597 -1.286 1.00 0.00 H new ATOM 525 N GLY A 42 7.595 4.750 -2.527 1.00 0.00 N ATOM 526 CA GLY A 42 8.428 4.192 -3.579 1.00 0.00 C ATOM 527 C GLY A 42 8.840 2.757 -3.248 1.00 0.00 C ATOM 528 O GLY A 42 9.146 1.972 -4.144 1.00 0.00 O ATOM 0 H GLY A 42 6.969 4.081 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.886 4.210 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.317 4.809 -3.709 1.00 0.00 H new ATOM 532 N SER A 43 8.835 2.455 -1.957 1.00 0.00 N ATOM 533 CA SER A 43 9.205 1.129 -1.495 1.00 0.00 C ATOM 534 C SER A 43 8.077 0.138 -1.792 1.00 0.00 C ATOM 535 O SER A 43 7.076 0.499 -2.410 1.00 0.00 O ATOM 536 CB SER A 43 9.526 1.135 0.001 1.00 0.00 C ATOM 537 OG SER A 43 10.885 1.479 0.253 1.00 0.00 O ATOM 0 H SER A 43 8.580 3.108 -1.216 1.00 0.00 H new ATOM 0 HA SER A 43 10.103 0.819 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.872 1.844 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.317 0.151 0.421 1.00 0.00 H new ATOM 0 HG SER A 43 11.050 1.474 1.219 1.00 0.00 H new ATOM 542 N SER A 44 8.275 -1.090 -1.337 1.00 0.00 N ATOM 543 CA SER A 44 7.287 -2.134 -1.545 1.00 0.00 C ATOM 544 C SER A 44 6.779 -2.651 -0.198 1.00 0.00 C ATOM 545 O SER A 44 7.572 -2.978 0.684 1.00 0.00 O ATOM 546 CB SER A 44 7.869 -3.285 -2.370 1.00 0.00 C ATOM 547 OG SER A 44 9.102 -3.756 -1.835 1.00 0.00 O ATOM 0 H SER A 44 9.106 -1.386 -0.825 1.00 0.00 H new ATOM 0 HA SER A 44 6.452 -1.709 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.152 -4.105 -2.404 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.023 -2.953 -3.397 1.00 0.00 H new ATOM 0 HG SER A 44 9.127 -3.584 -0.871 1.00 0.00 H new ATOM 552 N TYR A 45 5.460 -2.707 -0.081 1.00 0.00 N ATOM 553 CA TYR A 45 4.838 -3.178 1.144 1.00 0.00 C ATOM 554 C TYR A 45 4.143 -4.523 0.924 1.00 0.00 C ATOM 555 O TYR A 45 3.884 -5.255 1.878 1.00 0.00 O ATOM 556 CB TYR A 45 3.787 -2.129 1.512 1.00 0.00 C ATOM 557 CG TYR A 45 2.502 -2.218 0.687 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.577 -3.207 0.954 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.268 -1.309 -0.327 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.368 -3.290 0.176 1.00 0.00 C ATOM 561 CE2 TYR A 45 1.058 -1.394 -1.104 1.00 0.00 C ATOM 562 CZ TYR A 45 0.169 -2.380 -0.814 1.00 0.00 C ATOM 563 OH TYR A 45 -0.974 -2.459 -1.549 1.00 0.00 O ATOM 0 H TYR A 45 4.806 -2.434 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 45 5.585 -3.315 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.537 -2.235 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.220 -1.137 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.760 -3.918 1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.992 -0.535 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.364 -4.058 0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.862 -0.690 -1.899 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.982 -1.744 -2.220 1.00 0.00 H new ATOM 572 N ALA A 46 3.861 -4.808 -0.339 1.00 0.00 N ATOM 573 CA ALA A 46 3.201 -6.051 -0.696 1.00 0.00 C ATOM 574 C ALA A 46 3.423 -6.333 -2.184 1.00 0.00 C ATOM 575 O ALA A 46 4.072 -5.551 -2.877 1.00 0.00 O ATOM 576 CB ALA A 46 1.717 -5.965 -0.336 1.00 0.00 C ATOM 0 H ALA A 46 4.078 -4.199 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 46 3.625 -6.884 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.223 -6.899 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.612 -5.794 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.257 -5.141 -0.882 1.00 0.00 H new ATOM 582 N GLU A 47 2.872 -7.451 -2.631 1.00 0.00 N ATOM 583 CA GLU A 47 3.002 -7.846 -4.023 1.00 0.00 C ATOM 584 C GLU A 47 1.690 -8.446 -4.530 1.00 0.00 C ATOM 585 O GLU A 47 0.721 -8.555 -3.778 1.00 0.00 O ATOM 586 CB GLU A 47 4.161 -8.827 -4.210 1.00 0.00 C ATOM 587 CG GLU A 47 5.441 -8.292 -3.563 1.00 0.00 C ATOM 588 CD GLU A 47 5.620 -8.857 -2.153 1.00 0.00 C ATOM 589 OE1 GLU A 47 4.611 -8.874 -1.416 1.00 0.00 O ATOM 590 OE2 GLU A 47 6.762 -9.260 -1.843 1.00 0.00 O ATOM 0 H GLU A 47 2.334 -8.097 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 47 3.224 -6.956 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.902 -9.790 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.330 -8.997 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.302 -8.558 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.404 -7.203 -3.520 1.00 0.00 H new ATOM 595 N MET A 48 1.698 -8.819 -5.802 1.00 0.00 N ATOM 596 CA MET A 48 0.520 -9.405 -6.417 1.00 0.00 C ATOM 597 C MET A 48 0.887 -10.150 -7.703 1.00 0.00 C ATOM 598 O MET A 48 1.962 -9.940 -8.261 1.00 0.00 O ATOM 599 CB MET A 48 -0.491 -8.303 -6.736 1.00 0.00 C ATOM 600 CG MET A 48 0.122 -7.244 -7.655 1.00 0.00 C ATOM 601 SD MET A 48 -0.758 -7.198 -9.207 1.00 0.00 S ATOM 602 CE MET A 48 -2.376 -6.711 -8.632 1.00 0.00 C ATOM 0 H MET A 48 2.502 -8.726 -6.423 1.00 0.00 H new ATOM 0 HA MET A 48 0.084 -10.118 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.370 -8.738 -7.212 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.828 -7.835 -5.811 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.080 -6.266 -7.175 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.174 -7.468 -7.831 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.074 -7.536 -8.769 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.324 -6.452 -7.575 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.719 -5.847 -9.201 1.00 0.00 H new ATOM 610 N GLU A 49 -0.030 -11.004 -8.136 1.00 0.00 N ATOM 611 CA GLU A 49 0.184 -11.781 -9.346 1.00 0.00 C ATOM 612 C GLU A 49 -0.918 -11.486 -10.366 1.00 0.00 C ATOM 613 O GLU A 49 -2.094 -11.727 -10.102 1.00 0.00 O ATOM 614 CB GLU A 49 0.254 -13.276 -9.031 1.00 0.00 C ATOM 615 CG GLU A 49 0.364 -14.101 -10.315 1.00 0.00 C ATOM 616 CD GLU A 49 0.979 -15.473 -10.033 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.487 -16.134 -9.093 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.928 -15.831 -10.765 1.00 0.00 O ATOM 0 H GLU A 49 -0.922 -11.175 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 49 1.141 -11.489 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.113 -13.477 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.635 -13.577 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.624 -14.225 -10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.975 -13.567 -11.043 1.00 0.00 H new ATOM 623 N VAL A 50 -0.496 -10.969 -11.511 1.00 0.00 N ATOM 624 CA VAL A 50 -1.432 -10.640 -12.573 1.00 0.00 C ATOM 625 C VAL A 50 -0.875 -11.135 -13.909 1.00 0.00 C ATOM 626 O VAL A 50 0.317 -10.998 -14.178 1.00 0.00 O ATOM 627 CB VAL A 50 -1.723 -9.137 -12.566 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.425 -8.328 -12.565 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.612 -8.746 -13.748 1.00 0.00 C ATOM 0 H VAL A 50 0.481 -10.770 -11.726 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.385 -11.143 -12.412 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.264 -8.904 -11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.660 -7.264 -12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.157 -8.575 -11.677 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.154 -8.568 -13.457 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.804 -7.673 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.109 -9.000 -14.681 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.557 -9.285 -13.686 1.00 0.00 H new ATOM 639 N MET A 51 -1.766 -11.700 -14.712 1.00 0.00 N ATOM 640 CA MET A 51 -1.378 -12.216 -16.013 1.00 0.00 C ATOM 641 C MET A 51 -0.144 -13.113 -15.903 1.00 0.00 C ATOM 642 O MET A 51 0.770 -13.023 -16.722 1.00 0.00 O ATOM 643 CB MET A 51 -1.078 -11.048 -16.957 1.00 0.00 C ATOM 644 CG MET A 51 -2.356 -10.545 -17.630 1.00 0.00 C ATOM 645 SD MET A 51 -2.106 -10.407 -19.392 1.00 0.00 S ATOM 646 CE MET A 51 -3.778 -10.076 -19.918 1.00 0.00 C ATOM 0 H MET A 51 -2.754 -11.811 -14.486 1.00 0.00 H new ATOM 0 HA MET A 51 -2.202 -12.811 -16.406 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.612 -10.235 -16.399 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.363 -11.364 -17.717 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.179 -11.230 -17.424 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.637 -9.576 -17.217 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.803 -9.962 -21.002 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.422 -10.905 -19.626 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.132 -9.159 -19.448 1.00 0.00 H new ATOM 654 N LYS A 52 -0.157 -13.959 -14.883 1.00 0.00 N ATOM 655 CA LYS A 52 0.950 -14.872 -14.654 1.00 0.00 C ATOM 656 C LYS A 52 2.221 -14.066 -14.380 1.00 0.00 C ATOM 657 O LYS A 52 3.330 -14.569 -14.558 1.00 0.00 O ATOM 658 CB LYS A 52 1.083 -15.855 -15.819 1.00 0.00 C ATOM 659 CG LYS A 52 -0.176 -16.711 -15.961 1.00 0.00 C ATOM 660 CD LYS A 52 0.165 -18.105 -16.492 1.00 0.00 C ATOM 661 CE LYS A 52 -0.806 -18.524 -17.598 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.155 -18.428 -18.923 1.00 0.00 N ATOM 0 H LYS A 52 -0.917 -14.031 -14.206 1.00 0.00 H new ATOM 0 HA LYS A 52 0.764 -15.484 -13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.260 -15.306 -16.744 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.948 -16.498 -15.660 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.672 -16.798 -14.994 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.878 -16.222 -16.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.185 -18.112 -16.877 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.127 -18.828 -15.677 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.144 -19.546 -17.425 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.690 -17.887 -17.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.828 -18.716 -19.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.146 -17.447 -19.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.675 -19.054 -18.948 1.00 0.00 H new ATOM 672 N MET A 53 2.019 -12.829 -13.951 1.00 0.00 N ATOM 673 CA MET A 53 3.136 -11.950 -13.651 1.00 0.00 C ATOM 674 C MET A 53 3.056 -11.433 -12.214 1.00 0.00 C ATOM 675 O MET A 53 1.991 -11.024 -11.756 1.00 0.00 O ATOM 676 CB MET A 53 3.128 -10.765 -14.621 1.00 0.00 C ATOM 677 CG MET A 53 2.965 -11.241 -16.066 1.00 0.00 C ATOM 678 SD MET A 53 4.198 -10.475 -17.104 1.00 0.00 S ATOM 679 CE MET A 53 3.179 -9.983 -18.485 1.00 0.00 C ATOM 0 H MET A 53 1.099 -12.415 -13.804 1.00 0.00 H new ATOM 0 HA MET A 53 4.060 -12.517 -13.763 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.315 -10.086 -14.364 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.057 -10.203 -14.522 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.061 -12.326 -16.113 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.967 -10.993 -16.429 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.796 -9.485 -19.233 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.714 -10.865 -18.927 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.404 -9.299 -18.140 1.00 0.00 H new ATOM 687 N ILE A 54 4.198 -11.468 -11.542 1.00 0.00 N ATOM 688 CA ILE A 54 4.270 -11.008 -10.166 1.00 0.00 C ATOM 689 C ILE A 54 4.646 -9.526 -10.146 1.00 0.00 C ATOM 690 O ILE A 54 5.727 -9.150 -10.598 1.00 0.00 O ATOM 691 CB ILE A 54 5.218 -11.894 -9.354 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.845 -13.371 -9.495 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.264 -11.451 -7.890 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.438 -13.634 -8.957 1.00 0.00 C ATOM 0 H ILE A 54 5.080 -11.808 -11.925 1.00 0.00 H new ATOM 0 HA ILE A 54 3.296 -11.096 -9.684 1.00 0.00 H new ATOM 0 HB ILE A 54 6.224 -11.777 -9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.898 -13.665 -10.543 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.566 -13.985 -8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.945 -12.097 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.614 -10.420 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.266 -11.520 -7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.197 -14.691 -9.069 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.395 -13.362 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.717 -13.037 -9.516 1.00 0.00 H new ATOM 705 N MET A 55 3.732 -8.723 -9.619 1.00 0.00 N ATOM 706 CA MET A 55 3.954 -7.289 -9.535 1.00 0.00 C ATOM 707 C MET A 55 4.047 -6.834 -8.078 1.00 0.00 C ATOM 708 O MET A 55 3.304 -7.315 -7.225 1.00 0.00 O ATOM 709 CB MET A 55 2.807 -6.554 -10.229 1.00 0.00 C ATOM 710 CG MET A 55 3.004 -5.038 -10.158 1.00 0.00 C ATOM 711 SD MET A 55 1.748 -4.213 -11.120 1.00 0.00 S ATOM 712 CE MET A 55 0.741 -3.544 -9.807 1.00 0.00 C ATOM 0 H MET A 55 2.837 -9.038 -9.246 1.00 0.00 H new ATOM 0 HA MET A 55 4.897 -7.056 -10.029 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.747 -6.868 -11.271 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.861 -6.824 -9.760 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.957 -4.705 -9.121 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.993 -4.774 -10.533 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.096 -2.993 -10.235 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.362 -4.358 -9.189 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.342 -2.872 -9.194 1.00 0.00 H new ATOM 720 N THR A 56 4.967 -5.911 -7.838 1.00 0.00 N ATOM 721 CA THR A 56 5.167 -5.384 -6.499 1.00 0.00 C ATOM 722 C THR A 56 4.229 -4.202 -6.245 1.00 0.00 C ATOM 723 O THR A 56 3.949 -3.421 -7.153 1.00 0.00 O ATOM 724 CB THR A 56 6.647 -5.028 -6.347 1.00 0.00 C ATOM 725 OG1 THR A 56 7.314 -5.940 -7.215 1.00 0.00 O ATOM 726 CG2 THR A 56 7.192 -5.369 -4.958 1.00 0.00 C ATOM 0 H THR A 56 5.582 -5.515 -8.549 1.00 0.00 H new ATOM 0 HA THR A 56 4.917 -6.126 -5.741 1.00 0.00 H new ATOM 0 HB THR A 56 6.786 -3.964 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.280 -5.778 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.246 -5.096 -4.904 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.635 -4.815 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.084 -6.438 -4.777 1.00 0.00 H new ATOM 734 N LEU A 57 3.769 -4.109 -5.006 1.00 0.00 N ATOM 735 CA LEU A 57 2.868 -3.035 -4.621 1.00 0.00 C ATOM 736 C LEU A 57 3.630 -2.015 -3.773 1.00 0.00 C ATOM 737 O LEU A 57 4.070 -2.327 -2.667 1.00 0.00 O ATOM 738 CB LEU A 57 1.624 -3.600 -3.933 1.00 0.00 C ATOM 739 CG LEU A 57 0.465 -3.990 -4.854 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.371 -5.113 -4.239 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.385 -2.769 -5.209 1.00 0.00 C ATOM 0 H LEU A 57 4.003 -4.759 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 57 2.504 -2.508 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.918 -4.479 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.261 -2.861 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 57 0.882 -4.374 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.187 -5.370 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.258 -5.989 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.780 -4.781 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.202 -3.072 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.794 -2.333 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.234 -2.031 -5.719 1.00 0.00 H new ATOM 752 N ASN A 58 3.763 -0.817 -4.323 1.00 0.00 N ATOM 753 CA ASN A 58 4.464 0.250 -3.631 1.00 0.00 C ATOM 754 C ASN A 58 3.444 1.222 -3.033 1.00 0.00 C ATOM 755 O ASN A 58 2.275 1.211 -3.415 1.00 0.00 O ATOM 756 CB ASN A 58 5.358 1.036 -4.592 1.00 0.00 C ATOM 757 CG ASN A 58 6.090 0.097 -5.552 1.00 0.00 C ATOM 758 OD1 ASN A 58 5.850 0.079 -6.748 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.994 -0.680 -4.964 1.00 0.00 N ATOM 0 H ASN A 58 3.397 -0.562 -5.240 1.00 0.00 H new ATOM 0 HA ASN A 58 5.080 -0.201 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.754 1.744 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.083 1.619 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.536 -1.342 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.146 -0.614 -3.957 1.00 0.00 H new ATOM 765 N VAL A 59 3.923 2.037 -2.104 1.00 0.00 N ATOM 766 CA VAL A 59 3.067 3.012 -1.450 1.00 0.00 C ATOM 767 C VAL A 59 3.149 4.342 -2.203 1.00 0.00 C ATOM 768 O VAL A 59 4.240 4.829 -2.495 1.00 0.00 O ATOM 769 CB VAL A 59 3.449 3.136 0.026 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.475 1.764 0.703 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.791 3.852 0.186 1.00 0.00 C ATOM 0 H VAL A 59 4.893 2.042 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 59 2.027 2.687 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 59 2.687 3.738 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.749 1.881 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.488 1.306 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.206 1.127 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.039 3.927 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.568 3.288 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.723 4.852 -0.243 1.00 0.00 H new ATOM 781 N GLN A 60 1.978 4.891 -2.497 1.00 0.00 N ATOM 782 CA GLN A 60 1.904 6.155 -3.210 1.00 0.00 C ATOM 783 C GLN A 60 2.469 7.285 -2.348 1.00 0.00 C ATOM 784 O GLN A 60 3.056 8.233 -2.867 1.00 0.00 O ATOM 785 CB GLN A 60 0.467 6.458 -3.639 1.00 0.00 C ATOM 786 CG GLN A 60 0.417 6.933 -5.091 1.00 0.00 C ATOM 787 CD GLN A 60 -0.853 6.438 -5.787 1.00 0.00 C ATOM 788 OE1 GLN A 60 -1.466 5.460 -5.392 1.00 0.00 O ATOM 789 NE2 GLN A 60 -1.211 7.165 -6.841 1.00 0.00 N ATOM 0 H GLN A 60 1.075 4.484 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 60 2.509 6.077 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.147 5.565 -3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.043 7.222 -2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.452 8.022 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.294 6.570 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.652 7.972 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.045 6.916 -7.373 1.00 0.00 H new ATOM 796 N GLU A 61 2.273 7.147 -1.045 1.00 0.00 N ATOM 797 CA GLU A 61 2.757 8.145 -0.106 1.00 0.00 C ATOM 798 C GLU A 61 3.156 7.482 1.215 1.00 0.00 C ATOM 799 O GLU A 61 2.366 6.748 1.808 1.00 0.00 O ATOM 800 CB GLU A 61 1.709 9.236 0.124 1.00 0.00 C ATOM 801 CG GLU A 61 1.190 9.785 -1.207 1.00 0.00 C ATOM 802 CD GLU A 61 2.290 10.542 -1.954 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.158 11.112 -1.260 1.00 0.00 O ATOM 804 OE2 GLU A 61 2.237 10.533 -3.203 1.00 0.00 O ATOM 0 H GLU A 61 1.786 6.360 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 61 3.640 8.619 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.879 8.832 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.144 10.045 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.824 8.965 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.345 10.449 -1.026 1.00 0.00 H new ATOM 809 N ARG A 62 4.379 7.764 1.636 1.00 0.00 N ATOM 810 CA ARG A 62 4.892 7.204 2.875 1.00 0.00 C ATOM 811 C ARG A 62 3.777 7.115 3.919 1.00 0.00 C ATOM 812 O ARG A 62 2.819 7.886 3.876 1.00 0.00 O ATOM 813 CB ARG A 62 6.036 8.054 3.432 1.00 0.00 C ATOM 814 CG ARG A 62 5.543 9.450 3.817 1.00 0.00 C ATOM 815 CD ARG A 62 6.463 10.533 3.248 1.00 0.00 C ATOM 816 NE ARG A 62 5.715 11.381 2.294 1.00 0.00 N ATOM 817 CZ ARG A 62 4.675 12.154 2.632 1.00 0.00 C ATOM 818 NH1 ARG A 62 4.252 12.191 3.902 1.00 0.00 N ATOM 819 NH2 ARG A 62 4.057 12.892 1.699 1.00 0.00 N ATOM 0 H ARG A 62 5.031 8.373 1.141 1.00 0.00 H new ATOM 0 HA ARG A 62 5.270 6.205 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.467 7.563 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.828 8.136 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.529 9.597 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.500 9.538 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.861 11.145 4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.315 10.072 2.748 1.00 0.00 H new ATOM 0 HE ARG A 62 6.010 11.377 1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.722 11.630 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.460 12.780 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.379 12.865 0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.265 13.481 1.957 1.00 0.00 H new ATOM 830 N GLY A 63 3.939 6.168 4.832 1.00 0.00 N ATOM 831 CA GLY A 63 2.958 5.970 5.885 1.00 0.00 C ATOM 832 C GLY A 63 3.099 4.580 6.510 1.00 0.00 C ATOM 833 O GLY A 63 4.205 4.053 6.618 1.00 0.00 O ATOM 0 H GLY A 63 4.734 5.530 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.085 6.733 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.954 6.090 5.479 1.00 0.00 H new ATOM 837 N ARG A 64 1.961 4.026 6.905 1.00 0.00 N ATOM 838 CA ARG A 64 1.943 2.708 7.515 1.00 0.00 C ATOM 839 C ARG A 64 1.074 1.753 6.694 1.00 0.00 C ATOM 840 O ARG A 64 -0.097 2.037 6.441 1.00 0.00 O ATOM 841 CB ARG A 64 1.409 2.771 8.947 1.00 0.00 C ATOM 842 CG ARG A 64 2.525 2.518 9.961 1.00 0.00 C ATOM 843 CD ARG A 64 2.011 2.682 11.393 1.00 0.00 C ATOM 844 NE ARG A 64 3.064 3.284 12.242 1.00 0.00 N ATOM 845 CZ ARG A 64 2.953 3.458 13.566 1.00 0.00 C ATOM 846 NH1 ARG A 64 1.836 3.077 14.201 1.00 0.00 N ATOM 847 NH2 ARG A 64 3.959 4.014 14.256 1.00 0.00 N ATOM 0 H ARG A 64 1.046 4.467 6.814 1.00 0.00 H new ATOM 0 HA ARG A 64 2.969 2.340 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.962 3.748 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.620 2.030 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.923 1.512 9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.347 3.212 9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.122 3.313 11.399 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.717 1.713 11.796 1.00 0.00 H new ATOM 0 HE ARG A 64 3.928 3.585 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.070 2.654 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.752 3.210 15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.809 4.305 13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.874 4.146 15.264 1.00 0.00 H new ATOM 858 N VAL A 65 1.678 0.643 6.300 1.00 0.00 N ATOM 859 CA VAL A 65 0.973 -0.354 5.513 1.00 0.00 C ATOM 860 C VAL A 65 0.227 -1.305 6.451 1.00 0.00 C ATOM 861 O VAL A 65 0.748 -1.685 7.499 1.00 0.00 O ATOM 862 CB VAL A 65 1.952 -1.077 4.585 1.00 0.00 C ATOM 863 CG1 VAL A 65 1.250 -2.191 3.808 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.634 -0.091 3.634 1.00 0.00 C ATOM 0 H VAL A 65 2.649 0.411 6.511 1.00 0.00 H new ATOM 0 HA VAL A 65 0.230 0.122 4.873 1.00 0.00 H new ATOM 0 HB VAL A 65 2.724 -1.536 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.968 -2.688 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.833 -2.915 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.448 -1.765 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.325 -0.630 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.880 0.409 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.184 0.651 4.213 1.00 0.00 H new ATOM 874 N LYS A 66 -0.981 -1.661 6.042 1.00 0.00 N ATOM 875 CA LYS A 66 -1.805 -2.561 6.834 1.00 0.00 C ATOM 876 C LYS A 66 -2.561 -3.508 5.899 1.00 0.00 C ATOM 877 O LYS A 66 -2.981 -3.109 4.814 1.00 0.00 O ATOM 878 CB LYS A 66 -2.714 -1.766 7.773 1.00 0.00 C ATOM 879 CG LYS A 66 -3.270 -2.661 8.884 1.00 0.00 C ATOM 880 CD LYS A 66 -4.607 -3.281 8.471 1.00 0.00 C ATOM 881 CE LYS A 66 -5.731 -2.829 9.404 1.00 0.00 C ATOM 882 NZ LYS A 66 -6.653 -3.951 9.686 1.00 0.00 N ATOM 0 H LYS A 66 -1.410 -1.343 5.173 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.183 -3.181 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.156 -0.939 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.537 -1.330 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.554 -3.451 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.402 -2.077 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.843 -2.996 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.529 -4.368 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.309 -2.454 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.280 -2.005 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.410 -3.627 10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.069 -4.290 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.128 -4.726 10.140 1.00 0.00 H new ATOM 892 N TYR A 67 -2.712 -4.742 6.356 1.00 0.00 N ATOM 893 CA TYR A 67 -3.411 -5.748 5.576 1.00 0.00 C ATOM 894 C TYR A 67 -4.925 -5.635 5.765 1.00 0.00 C ATOM 895 O TYR A 67 -5.423 -5.726 6.886 1.00 0.00 O ATOM 896 CB TYR A 67 -2.942 -7.101 6.114 1.00 0.00 C ATOM 897 CG TYR A 67 -2.486 -8.079 5.029 1.00 0.00 C ATOM 898 CD1 TYR A 67 -1.769 -7.619 3.943 1.00 0.00 C ATOM 899 CD2 TYR A 67 -2.793 -9.419 5.135 1.00 0.00 C ATOM 900 CE1 TYR A 67 -1.340 -8.539 2.921 1.00 0.00 C ATOM 901 CE2 TYR A 67 -2.364 -10.340 4.114 1.00 0.00 C ATOM 902 CZ TYR A 67 -1.660 -9.854 3.057 1.00 0.00 C ATOM 903 OH TYR A 67 -1.254 -10.723 2.093 1.00 0.00 O ATOM 0 H TYR A 67 -2.362 -5.068 7.257 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.199 -5.624 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.120 -6.938 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.754 -7.556 6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.530 -6.569 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.355 -9.778 5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.777 -8.193 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.596 -11.392 4.186 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.978 -10.223 1.297 1.00 0.00 H new ATOM 912 N ILE A 68 -5.616 -5.439 4.651 1.00 0.00 N ATOM 913 CA ILE A 68 -7.063 -5.313 4.680 1.00 0.00 C ATOM 914 C ILE A 68 -7.696 -6.636 4.244 1.00 0.00 C ATOM 915 O ILE A 68 -8.425 -7.262 5.012 1.00 0.00 O ATOM 916 CB ILE A 68 -7.513 -4.112 3.846 1.00 0.00 C ATOM 917 CG1 ILE A 68 -7.131 -2.796 4.528 1.00 0.00 C ATOM 918 CG2 ILE A 68 -9.011 -4.186 3.541 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.654 -2.752 5.964 1.00 0.00 C ATOM 0 H ILE A 68 -5.200 -5.364 3.723 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.407 -5.114 5.695 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.988 -4.144 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.047 -2.684 4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.538 -1.958 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.305 -3.320 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.224 -5.098 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.573 -4.192 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.369 -1.807 6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.740 -2.840 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.226 -3.577 6.533 1.00 0.00 H new ATOM 930 N LYS A 69 -7.392 -7.023 3.015 1.00 0.00 N ATOM 931 CA LYS A 69 -7.921 -8.261 2.467 1.00 0.00 C ATOM 932 C LYS A 69 -6.956 -9.407 2.781 1.00 0.00 C ATOM 933 O LYS A 69 -5.755 -9.293 2.543 1.00 0.00 O ATOM 934 CB LYS A 69 -8.222 -8.102 0.976 1.00 0.00 C ATOM 935 CG LYS A 69 -9.103 -6.877 0.721 1.00 0.00 C ATOM 936 CD LYS A 69 -10.544 -7.137 1.166 1.00 0.00 C ATOM 937 CE LYS A 69 -11.448 -7.413 -0.038 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.850 -7.593 0.397 1.00 0.00 N ATOM 0 H LYS A 69 -6.786 -6.501 2.382 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.873 -8.508 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.289 -8.005 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.721 -8.997 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.702 -6.018 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.086 -6.626 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.570 -7.987 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.919 -6.275 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.384 -6.586 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.106 -8.306 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.450 -7.779 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.909 -8.397 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.179 -6.730 0.875 1.00 0.00 H new ATOM 948 N ARG A 70 -7.518 -10.482 3.311 1.00 0.00 N ATOM 949 CA ARG A 70 -6.722 -11.647 3.660 1.00 0.00 C ATOM 950 C ARG A 70 -5.799 -12.026 2.501 1.00 0.00 C ATOM 951 O ARG A 70 -6.053 -11.660 1.354 1.00 0.00 O ATOM 952 CB ARG A 70 -7.615 -12.842 4.002 1.00 0.00 C ATOM 953 CG ARG A 70 -8.255 -12.671 5.382 1.00 0.00 C ATOM 954 CD ARG A 70 -7.990 -13.893 6.264 1.00 0.00 C ATOM 955 NE ARG A 70 -8.916 -13.895 7.418 1.00 0.00 N ATOM 956 CZ ARG A 70 -9.135 -14.957 8.205 1.00 0.00 C ATOM 957 NH1 ARG A 70 -8.497 -16.111 7.965 1.00 0.00 N ATOM 958 NH2 ARG A 70 -9.993 -14.866 9.230 1.00 0.00 N ATOM 0 H ARG A 70 -8.515 -10.572 3.508 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.126 -11.390 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.394 -12.947 3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.026 -13.759 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.857 -11.778 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.329 -12.523 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.118 -14.806 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.958 -13.881 6.615 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.420 -13.033 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.845 -16.180 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.663 -16.920 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.480 -13.988 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.160 -15.675 9.829 1.00 0.00 H new ATOM 969 N PRO A 71 -4.716 -12.773 2.848 1.00 0.00 N ATOM 970 CA PRO A 71 -3.754 -13.205 1.851 1.00 0.00 C ATOM 971 C PRO A 71 -4.316 -14.350 1.005 1.00 0.00 C ATOM 972 O PRO A 71 -4.761 -15.363 1.542 1.00 0.00 O ATOM 973 CB PRO A 71 -2.518 -13.603 2.642 1.00 0.00 C ATOM 974 CG PRO A 71 -2.990 -13.821 4.070 1.00 0.00 C ATOM 975 CD PRO A 71 -4.383 -13.225 4.196 1.00 0.00 C ATOM 0 HA PRO A 71 -3.515 -12.422 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.070 -14.510 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.757 -12.824 2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.007 -14.884 4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.307 -13.347 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.099 -13.965 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.397 -12.398 4.906 1.00 0.00 H new ATOM 980 N GLY A 72 -4.278 -14.150 -0.304 1.00 0.00 N ATOM 981 CA GLY A 72 -4.777 -15.152 -1.230 1.00 0.00 C ATOM 982 C GLY A 72 -6.155 -14.763 -1.767 1.00 0.00 C ATOM 983 O GLY A 72 -7.004 -15.625 -1.995 1.00 0.00 O ATOM 0 H GLY A 72 -3.909 -13.308 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.079 -15.266 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.837 -16.118 -0.729 1.00 0.00 H new ATOM 987 N ALA A 73 -6.338 -13.464 -1.955 1.00 0.00 N ATOM 988 CA ALA A 73 -7.599 -12.950 -2.461 1.00 0.00 C ATOM 989 C ALA A 73 -7.484 -12.728 -3.970 1.00 0.00 C ATOM 990 O ALA A 73 -6.403 -12.863 -4.541 1.00 0.00 O ATOM 991 CB ALA A 73 -7.968 -11.670 -1.708 1.00 0.00 C ATOM 0 H ALA A 73 -5.633 -12.752 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.402 -13.668 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.914 -11.284 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.066 -11.889 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.187 -10.924 -1.854 1.00 0.00 H new ATOM 997 N VAL A 74 -8.614 -12.389 -4.573 1.00 0.00 N ATOM 998 CA VAL A 74 -8.655 -12.147 -6.006 1.00 0.00 C ATOM 999 C VAL A 74 -8.512 -10.646 -6.268 1.00 0.00 C ATOM 1000 O VAL A 74 -9.468 -9.890 -6.104 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.933 -12.739 -6.602 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.171 -12.004 -6.083 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.885 -12.722 -8.131 1.00 0.00 C ATOM 0 H VAL A 74 -9.508 -12.276 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.822 -12.646 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.002 -13.779 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.066 -12.444 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.218 -12.092 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.112 -10.951 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.806 -13.148 -8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.780 -11.695 -8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.034 -13.311 -8.475 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.311 -10.260 -6.672 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.032 -8.863 -6.960 1.00 0.00 C ATOM 1015 C LEU A 75 -7.774 -8.450 -8.232 1.00 0.00 C ATOM 1016 O LEU A 75 -7.662 -9.111 -9.263 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.522 -8.621 -7.022 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.953 -7.658 -5.977 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.098 -6.206 -6.434 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.593 -7.896 -4.608 1.00 0.00 C ATOM 0 H LEU A 75 -6.520 -10.890 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.401 -8.227 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.016 -9.581 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.276 -8.238 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.886 -7.857 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.686 -5.542 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.559 -6.064 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.153 -5.975 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.172 -7.199 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.670 -7.740 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.394 -8.918 -4.286 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.516 -7.358 -8.117 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.278 -6.849 -9.245 1.00 0.00 C ATOM 1033 C GLU A 76 -9.006 -5.356 -9.437 1.00 0.00 C ATOM 1034 O GLU A 76 -8.669 -4.654 -8.484 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.772 -7.116 -9.063 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.352 -7.843 -10.279 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.869 -7.998 -10.153 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.326 -8.196 -9.005 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.538 -7.916 -11.205 1.00 0.00 O ATOM 0 H GLU A 76 -8.606 -6.812 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.957 -7.376 -10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.931 -7.715 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.298 -6.173 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.114 -7.288 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.889 -8.825 -10.375 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.164 -4.913 -10.676 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.939 -3.515 -11.006 1.00 0.00 C ATOM 1046 C ALA A 77 -9.929 -2.648 -10.225 1.00 0.00 C ATOM 1047 O ALA A 77 -11.121 -2.948 -10.176 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.062 -3.321 -12.518 1.00 0.00 C ATOM 0 H ALA A 77 -9.445 -5.497 -11.463 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.933 -3.209 -10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.893 -2.273 -12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.320 -3.938 -13.025 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.060 -3.614 -12.842 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.398 -1.587 -9.633 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.219 -0.673 -8.857 1.00 0.00 C ATOM 1056 C GLY A 78 -10.877 -1.394 -7.678 1.00 0.00 C ATOM 1057 O GLY A 78 -12.102 -1.432 -7.575 1.00 0.00 O ATOM 0 H GLY A 78 -8.409 -1.340 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.606 0.149 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.987 -0.237 -9.496 1.00 0.00 H new ATOM 1061 N CYS A 79 -10.033 -1.946 -6.819 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.518 -2.663 -5.651 1.00 0.00 C ATOM 1063 C CYS A 79 -9.684 -2.230 -4.443 1.00 0.00 C ATOM 1064 O CYS A 79 -8.736 -1.460 -4.582 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.476 -4.178 -5.860 1.00 0.00 C ATOM 1066 SG CYS A 79 -12.074 -4.761 -6.537 1.00 0.00 S ATOM 0 H CYS A 79 -9.017 -1.912 -6.908 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.565 -2.416 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.666 -4.437 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.268 -4.678 -4.914 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.027 -6.048 -6.713 1.00 0.00 H new ATOM 1071 N VAL A 80 -10.070 -2.746 -3.284 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.370 -2.422 -2.053 1.00 0.00 C ATOM 1073 C VAL A 80 -8.338 -3.512 -1.756 1.00 0.00 C ATOM 1074 O VAL A 80 -8.633 -4.701 -1.874 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.376 -2.228 -0.916 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -11.089 -3.539 -0.584 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.696 -1.643 0.324 1.00 0.00 C ATOM 0 H VAL A 80 -10.857 -3.385 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.829 -1.481 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.128 -1.515 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.798 -3.372 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.623 -3.896 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.355 -4.285 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.433 -1.515 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.912 -2.320 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.258 -0.676 0.077 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.149 -3.069 -1.377 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.071 -3.991 -1.064 1.00 0.00 C ATOM 1089 C VAL A 81 -5.595 -3.745 0.370 1.00 0.00 C ATOM 1090 O VAL A 81 -5.622 -4.651 1.201 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.950 -3.857 -2.096 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.768 -4.762 -1.743 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.465 -4.153 -3.506 1.00 0.00 C ATOM 0 H VAL A 81 -6.908 -2.083 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.423 -5.021 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.599 -2.825 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.985 -4.647 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.377 -4.484 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.099 -5.800 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.648 -4.051 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.856 -5.170 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.258 -3.450 -3.759 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.173 -2.513 0.616 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.693 -2.136 1.935 1.00 0.00 C ATOM 1105 C ALA A 82 -4.830 -0.622 2.109 1.00 0.00 C ATOM 1106 O ALA A 82 -5.040 0.102 1.137 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.250 -2.614 2.109 1.00 0.00 C ATOM 0 H ALA A 82 -5.154 -1.763 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.291 -2.613 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.890 -2.331 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.211 -3.698 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.620 -2.153 1.348 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.706 -0.189 3.355 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.815 1.226 3.669 1.00 0.00 C ATOM 1115 C ARG A 83 -3.442 1.793 4.038 1.00 0.00 C ATOM 1116 O ARG A 83 -2.497 1.041 4.272 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.784 1.459 4.829 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.165 1.871 4.315 1.00 0.00 C ATOM 1119 CD ARG A 83 -8.157 0.711 4.420 1.00 0.00 C ATOM 1120 NE ARG A 83 -9.338 1.126 5.209 1.00 0.00 N ATOM 1121 CZ ARG A 83 -10.496 0.453 5.237 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -10.636 -0.672 4.522 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -11.516 0.903 5.981 1.00 0.00 N ATOM 0 H ARG A 83 -4.531 -0.792 4.159 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.197 1.735 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.870 0.550 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.390 2.234 5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.532 2.721 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.089 2.196 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.467 0.396 3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.678 -0.147 4.891 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.266 1.977 5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.860 -1.016 3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.518 -1.184 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.411 1.758 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.397 0.390 6.002 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.376 3.116 4.078 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.135 3.794 4.414 1.00 0.00 C ATOM 1136 C LEU A 84 -2.373 4.725 5.604 1.00 0.00 C ATOM 1137 O LEU A 84 -3.300 5.533 5.589 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.561 4.502 3.185 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.167 5.109 3.351 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.220 6.382 4.199 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.814 4.082 3.919 1.00 0.00 C ATOM 0 H LEU A 84 -4.162 3.737 3.883 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.378 3.072 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.529 3.789 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.249 5.296 2.893 1.00 0.00 H new ATOM 0 HG LEU A 84 0.201 5.394 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.784 6.793 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.865 7.115 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.617 6.145 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.798 4.539 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.462 3.743 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.882 3.231 3.242 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.521 4.580 6.608 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.627 5.398 7.804 1.00 0.00 C ATOM 1154 C GLU A 85 -0.607 6.537 7.761 1.00 0.00 C ATOM 1155 O GLU A 85 0.545 6.359 8.152 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.448 4.550 9.066 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.742 4.500 9.880 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.462 3.164 9.684 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -3.134 2.226 10.443 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -4.323 3.110 8.780 1.00 0.00 O ATOM 0 H GLU A 85 -0.754 3.908 6.618 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.626 5.832 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.148 3.539 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.646 4.965 9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.517 4.644 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.397 5.318 9.579 1.00 0.00 H new ATOM 1165 N LEU A 86 -1.068 7.684 7.280 1.00 0.00 N ATOM 1166 CA LEU A 86 -0.211 8.852 7.180 1.00 0.00 C ATOM 1167 C LEU A 86 0.389 9.158 8.554 1.00 0.00 C ATOM 1168 O LEU A 86 -0.334 9.503 9.488 1.00 0.00 O ATOM 1169 CB LEU A 86 -0.976 10.027 6.568 1.00 0.00 C ATOM 1170 CG LEU A 86 -1.339 9.891 5.088 1.00 0.00 C ATOM 1171 CD1 LEU A 86 -2.517 10.800 4.727 1.00 0.00 C ATOM 1172 CD2 LEU A 86 -0.121 10.152 4.198 1.00 0.00 C ATOM 0 H LEU A 86 -2.024 7.828 6.956 1.00 0.00 H new ATOM 0 HA LEU A 86 0.622 8.657 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.895 10.172 7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.378 10.930 6.694 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.656 8.864 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.755 10.684 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.385 10.526 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.251 11.838 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.407 10.049 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.250 11.162 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.662 9.432 4.433 1.00 0.00 H new ATOM 1183 N ASP A 87 1.704 9.021 8.634 1.00 0.00 N ATOM 1184 CA ASP A 87 2.409 9.279 9.878 1.00 0.00 C ATOM 1185 C ASP A 87 2.521 10.789 10.093 1.00 0.00 C ATOM 1186 O ASP A 87 2.947 11.239 11.155 1.00 0.00 O ATOM 1187 CB ASP A 87 3.826 8.702 9.838 1.00 0.00 C ATOM 1188 CG ASP A 87 4.227 7.887 11.068 1.00 0.00 C ATOM 1189 OD1 ASP A 87 3.315 7.276 11.667 1.00 0.00 O ATOM 1190 OD2 ASP A 87 5.437 7.891 11.383 1.00 0.00 O ATOM 0 H ASP A 87 2.300 8.735 7.857 1.00 0.00 H new ATOM 0 HA ASP A 87 1.849 8.808 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.920 8.069 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.533 9.523 9.718 1.00 0.00 H new ATOM 1194 N ASP A 88 2.131 11.531 9.066 1.00 0.00 N ATOM 1195 CA ASP A 88 2.181 12.981 9.129 1.00 0.00 C ATOM 1196 C ASP A 88 1.035 13.564 8.299 1.00 0.00 C ATOM 1197 O ASP A 88 1.194 13.817 7.107 1.00 0.00 O ATOM 1198 CB ASP A 88 3.497 13.512 8.556 1.00 0.00 C ATOM 1199 CG ASP A 88 3.955 12.840 7.261 1.00 0.00 C ATOM 1200 OD1 ASP A 88 4.478 11.709 7.362 1.00 0.00 O ATOM 1201 OD2 ASP A 88 3.774 13.473 6.198 1.00 0.00 O ATOM 0 H ASP A 88 1.779 11.154 8.186 1.00 0.00 H new ATOM 0 HA ASP A 88 2.097 13.276 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.392 14.582 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.278 13.391 9.307 1.00 0.00 H new ATOM 1205 N PRO A 89 -0.124 13.766 8.982 1.00 0.00 N ATOM 1206 CA PRO A 89 -1.296 14.314 8.322 1.00 0.00 C ATOM 1207 C PRO A 89 -1.137 15.816 8.080 1.00 0.00 C ATOM 1208 O PRO A 89 -1.804 16.384 7.216 1.00 0.00 O ATOM 1209 CB PRO A 89 -2.459 13.980 9.242 1.00 0.00 C ATOM 1210 CG PRO A 89 -1.842 13.672 10.597 1.00 0.00 C ATOM 1211 CD PRO A 89 -0.348 13.479 10.396 1.00 0.00 C ATOM 0 HA PRO A 89 -1.456 13.891 7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.155 14.816 9.311 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.022 13.126 8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.031 14.486 11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.289 12.774 11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.227 14.151 11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.043 12.463 10.647 1.00 0.00 H new ATOM 1216 N SER A 90 -0.249 16.418 8.857 1.00 0.00 N ATOM 1217 CA SER A 90 0.006 17.843 8.738 1.00 0.00 C ATOM 1218 C SER A 90 1.449 18.081 8.288 1.00 0.00 C ATOM 1219 O SER A 90 2.317 18.378 9.106 1.00 0.00 O ATOM 1220 CB SER A 90 -0.262 18.563 10.061 1.00 0.00 C ATOM 1221 OG SER A 90 -1.630 18.941 10.195 1.00 0.00 O ATOM 0 H SER A 90 0.303 15.944 9.572 1.00 0.00 H new ATOM 0 HA SER A 90 -0.674 18.250 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.018 17.914 10.890 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.367 19.451 10.125 1.00 0.00 H new ATOM 0 HG SER A 90 -1.761 19.396 11.053 1.00 0.00 H new ATOM 1226 N LYS A 91 1.660 17.939 6.987 1.00 0.00 N ATOM 1227 CA LYS A 91 2.983 18.135 6.418 1.00 0.00 C ATOM 1228 C LYS A 91 2.902 19.167 5.292 1.00 0.00 C ATOM 1229 O LYS A 91 2.183 20.159 5.405 1.00 0.00 O ATOM 1230 CB LYS A 91 3.583 16.796 5.984 1.00 0.00 C ATOM 1231 CG LYS A 91 5.110 16.863 5.953 1.00 0.00 C ATOM 1232 CD LYS A 91 5.712 16.226 7.207 1.00 0.00 C ATOM 1233 CE LYS A 91 5.623 17.176 8.402 1.00 0.00 C ATOM 1234 NZ LYS A 91 6.256 16.570 9.595 1.00 0.00 N ATOM 0 H LYS A 91 0.937 17.691 6.311 1.00 0.00 H new ATOM 0 HA LYS A 91 3.665 18.535 7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.264 16.011 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.207 16.528 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.482 16.350 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.431 17.902 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.187 15.298 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.754 15.965 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.114 18.119 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.579 17.406 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.187 17.228 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.770 15.682 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.257 16.373 9.394 1.00 0.00 H new ATOM 1244 N VAL A 92 3.648 18.897 4.231 1.00 0.00 N ATOM 1245 CA VAL A 92 3.669 19.791 3.085 1.00 0.00 C ATOM 1246 C VAL A 92 4.202 21.158 3.518 1.00 0.00 C ATOM 1247 O VAL A 92 3.940 21.605 4.634 1.00 0.00 O ATOM 1248 CB VAL A 92 2.277 19.865 2.453 1.00 0.00 C ATOM 1249 CG1 VAL A 92 2.223 20.944 1.369 1.00 0.00 C ATOM 1250 CG2 VAL A 92 1.856 18.503 1.893 1.00 0.00 C ATOM 0 H VAL A 92 4.242 18.073 4.140 1.00 0.00 H new ATOM 0 HA VAL A 92 4.341 19.409 2.316 1.00 0.00 H new ATOM 0 HB VAL A 92 1.569 20.140 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.223 20.975 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.459 21.913 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.949 20.713 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.863 18.583 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.569 18.186 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.835 17.769 2.699 1.00 0.00 H new ATOM 1260 N HIS A 93 4.939 21.785 2.613 1.00 0.00 N ATOM 1261 CA HIS A 93 5.510 23.091 2.889 1.00 0.00 C ATOM 1262 C HIS A 93 6.043 23.127 4.323 1.00 0.00 C ATOM 1263 O HIS A 93 5.320 23.494 5.248 1.00 0.00 O ATOM 1264 CB HIS A 93 4.494 24.200 2.606 1.00 0.00 C ATOM 1265 CG HIS A 93 4.319 24.512 1.139 1.00 0.00 C ATOM 1266 ND1 HIS A 93 5.337 25.024 0.354 1.00 0.00 N ATOM 1267 CD2 HIS A 93 3.234 24.378 0.323 1.00 0.00 C ATOM 1268 CE1 HIS A 93 4.875 25.189 -0.876 1.00 0.00 C ATOM 1269 NE2 HIS A 93 3.571 24.789 -0.894 1.00 0.00 N ATOM 0 H HIS A 93 5.154 21.412 1.688 1.00 0.00 H new ATOM 0 HA HIS A 93 6.352 23.271 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.530 23.910 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.806 25.106 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 93 2.265 24.002 0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.433 25.573 -1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.956 24.803 -1.708 1.00 0.00 H new ATOM 1276 N PRO A 94 7.336 22.732 4.466 1.00 0.00 N ATOM 1277 CA PRO A 94 7.974 22.716 5.771 1.00 0.00 C ATOM 1278 C PRO A 94 8.320 24.133 6.230 1.00 0.00 C ATOM 1279 O PRO A 94 8.925 24.902 5.483 1.00 0.00 O ATOM 1280 CB PRO A 94 9.198 21.831 5.600 1.00 0.00 C ATOM 1281 CG PRO A 94 9.457 21.764 4.103 1.00 0.00 C ATOM 1282 CD PRO A 94 8.222 22.293 3.392 1.00 0.00 C ATOM 0 HA PRO A 94 7.323 22.325 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.057 22.246 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.022 20.837 6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 94 10.332 22.358 3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.664 20.738 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.472 23.117 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.754 21.520 2.783 1.00 0.00 H new ATOM 1287 N SER A 95 7.922 24.437 7.457 1.00 0.00 N ATOM 1288 CA SER A 95 8.183 25.749 8.024 1.00 0.00 C ATOM 1289 C SER A 95 9.651 26.127 7.816 1.00 0.00 C ATOM 1290 O SER A 95 10.545 25.321 8.066 1.00 0.00 O ATOM 1291 CB SER A 95 7.832 25.785 9.513 1.00 0.00 C ATOM 1292 OG SER A 95 7.586 27.112 9.972 1.00 0.00 O ATOM 0 H SER A 95 7.421 23.797 8.074 1.00 0.00 H new ATOM 0 HA SER A 95 7.552 26.475 7.511 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.950 25.170 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.648 25.348 10.088 1.00 0.00 H new ATOM 0 HG SER A 95 7.364 27.092 10.926 1.00 0.00 H new ATOM 1297 N GLY A 96 9.854 27.355 7.359 1.00 0.00 N ATOM 1298 CA GLY A 96 11.198 27.850 7.114 1.00 0.00 C ATOM 1299 C GLY A 96 11.176 29.332 6.737 1.00 0.00 C ATOM 1300 O GLY A 96 10.327 30.085 7.213 1.00 0.00 O ATOM 0 H GLY A 96 9.110 28.021 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.810 27.707 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.661 27.274 6.313 1.00 0.00 H new ATOM 1304 N PRO A 97 12.144 29.717 5.863 1.00 0.00 N ATOM 1305 CA PRO A 97 12.244 31.096 5.416 1.00 0.00 C ATOM 1306 C PRO A 97 11.148 31.423 4.400 1.00 0.00 C ATOM 1307 O PRO A 97 10.739 30.561 3.624 1.00 0.00 O ATOM 1308 CB PRO A 97 13.645 31.222 4.840 1.00 0.00 C ATOM 1309 CG PRO A 97 14.111 29.803 4.562 1.00 0.00 C ATOM 1310 CD PRO A 97 13.166 28.853 5.279 1.00 0.00 C ATOM 0 HA PRO A 97 12.094 31.812 6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.640 31.817 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 97 14.312 31.722 5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.111 29.604 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.133 29.661 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.728 28.133 4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.687 28.281 6.047 1.00 0.00 H new ATOM 1315 N SER A 98 10.705 32.672 4.437 1.00 0.00 N ATOM 1316 CA SER A 98 9.664 33.124 3.530 1.00 0.00 C ATOM 1317 C SER A 98 8.309 32.566 3.968 1.00 0.00 C ATOM 1318 O SER A 98 8.247 31.620 4.752 1.00 0.00 O ATOM 1319 CB SER A 98 9.970 32.706 2.089 1.00 0.00 C ATOM 1320 OG SER A 98 9.435 33.625 1.142 1.00 0.00 O ATOM 0 H SER A 98 11.048 33.385 5.081 1.00 0.00 H new ATOM 0 HA SER A 98 9.629 34.213 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.049 32.633 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.558 31.714 1.904 1.00 0.00 H new ATOM 0 HG SER A 98 9.653 33.324 0.235 1.00 0.00 H new ATOM 1325 N SER A 99 7.256 33.175 3.441 1.00 0.00 N ATOM 1326 CA SER A 99 5.906 32.751 3.769 1.00 0.00 C ATOM 1327 C SER A 99 5.195 32.249 2.509 1.00 0.00 C ATOM 1328 O SER A 99 4.794 31.089 2.440 1.00 0.00 O ATOM 1329 CB SER A 99 5.110 33.890 4.408 1.00 0.00 C ATOM 1330 OG SER A 99 5.328 33.970 5.814 1.00 0.00 O ATOM 0 H SER A 99 7.311 33.958 2.790 1.00 0.00 H new ATOM 0 HA SER A 99 5.969 31.938 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.392 34.835 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.048 33.743 4.214 1.00 0.00 H new ATOM 0 HG SER A 99 4.804 34.710 6.185 1.00 0.00 H new ATOM 1335 N GLY A 100 5.062 33.148 1.545 1.00 0.00 N ATOM 1336 CA GLY A 100 4.408 32.812 0.293 1.00 0.00 C ATOM 1337 C GLY A 100 5.338 31.999 -0.611 1.00 0.00 C ATOM 1338 O GLY A 100 6.184 31.251 -0.124 1.00 0.00 O ATOM 0 H GLY A 100 5.397 34.110 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.501 32.242 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.104 33.725 -0.219 1.00 0.00 H new TER 1342 GLY A 100