USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 472 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 44 THR OG1 : rot 65:sc= 0.903 USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.184 F(o=-0.75,f=0.72) USER MOD Set 2.1: A 22 THR OG1 : rot -54:sc= 0.387 USER MOD Set 2.2: A 25 LYS NZ :NH3+ 179:sc= -2.63! (180deg=-3.09!) USER MOD Set 2.3: A 27 SER OG : rot 160:sc= -2.11! USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0133 (180deg=-0.634) USER MOD Single : A 9 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.49) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.99) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.386 F(o=-2.6!,f=-0.39) USER MOD Single : A 17 SER OG : rot -85:sc= -0.751! USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -63:sc= 0.517 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -170:sc= 0.504 USER MOD Single : A 52 THR OG1 : rot -55:sc= 0.622 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0.1 (180deg=0.0678) USER MOD Single : A 59 HIS : no HD1:sc= -0.08 X(o=-0.08,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -3.72! C(o=-4.9!,f=-3.7!) USER MOD Single : A 61 HIS :FLIP no HE2:sc= -1.94 F(o=-2.8!,f=-1.9) USER MOD Single : A 62 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-6.6!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.099) USER MOD Single : A 64 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.724 -33.668 -20.584 1.00 1.00 N ATOM 2 CA MET A 1 76.266 -33.496 -20.843 1.00 1.00 C ATOM 3 C MET A 1 76.071 -32.691 -22.124 1.00 1.00 C ATOM 4 O MET A 1 77.039 -32.275 -22.760 1.00 1.00 O ATOM 5 CB MET A 1 75.625 -32.762 -19.662 1.00 1.00 C ATOM 6 CG MET A 1 75.710 -33.636 -18.411 1.00 1.00 C ATOM 7 SD MET A 1 76.267 -32.632 -17.010 1.00 1.00 S ATOM 8 CE MET A 1 74.776 -31.618 -16.853 1.00 1.00 C ATOM 0 H1 MET A 1 77.945 -34.681 -20.501 1.00 1.00 H new ATOM 0 H2 MET A 1 78.267 -33.258 -21.371 1.00 1.00 H new ATOM 0 H3 MET A 1 77.979 -33.185 -19.699 1.00 1.00 H new ATOM 0 HA MET A 1 75.794 -34.472 -20.958 1.00 1.00 H new ATOM 0 HB2 MET A 1 76.133 -31.813 -19.491 1.00 1.00 H new ATOM 0 HB3 MET A 1 74.584 -32.530 -19.886 1.00 1.00 H new ATOM 0 HG2 MET A 1 74.736 -34.074 -18.194 1.00 1.00 H new ATOM 0 HG3 MET A 1 76.401 -34.462 -18.578 1.00 1.00 H new ATOM 0 HE1 MET A 1 74.817 -31.053 -15.922 1.00 1.00 H new ATOM 0 HE2 MET A 1 74.715 -30.928 -17.694 1.00 1.00 H new ATOM 0 HE3 MET A 1 73.897 -32.262 -16.848 1.00 1.00 H new ATOM 20 N GLU A 2 74.813 -32.477 -22.496 1.00 1.00 N ATOM 21 CA GLU A 2 74.503 -31.721 -23.704 1.00 1.00 C ATOM 22 C GLU A 2 74.610 -30.222 -23.440 1.00 1.00 C ATOM 23 O GLU A 2 73.610 -29.506 -23.458 1.00 1.00 O ATOM 24 CB GLU A 2 73.089 -32.056 -24.182 1.00 1.00 C ATOM 25 CG GLU A 2 73.025 -33.528 -24.593 1.00 1.00 C ATOM 26 CD GLU A 2 71.704 -33.815 -25.298 1.00 1.00 C ATOM 27 OE1 GLU A 2 70.670 -33.630 -24.677 1.00 1.00 O ATOM 28 OE2 GLU A 2 71.744 -34.215 -26.451 1.00 1.00 O ATOM 0 H GLU A 2 73.998 -32.813 -21.983 1.00 1.00 H new ATOM 0 HA GLU A 2 75.222 -31.996 -24.476 1.00 1.00 H new ATOM 0 HB2 GLU A 2 72.369 -31.857 -23.388 1.00 1.00 H new ATOM 0 HB3 GLU A 2 72.818 -31.420 -25.025 1.00 1.00 H new ATOM 0 HG2 GLU A 2 73.859 -33.766 -25.254 1.00 1.00 H new ATOM 0 HG3 GLU A 2 73.123 -34.164 -23.714 1.00 1.00 H new ATOM 35 N GLU A 3 75.831 -29.755 -23.196 1.00 1.00 N ATOM 36 CA GLU A 3 76.057 -28.339 -22.930 1.00 1.00 C ATOM 37 C GLU A 3 75.839 -27.514 -24.194 1.00 1.00 C ATOM 38 O GLU A 3 74.812 -26.853 -24.347 1.00 1.00 O ATOM 39 CB GLU A 3 77.482 -28.126 -22.418 1.00 1.00 C ATOM 40 CG GLU A 3 77.649 -28.818 -21.065 1.00 1.00 C ATOM 41 CD GLU A 3 79.098 -29.256 -20.879 1.00 1.00 C ATOM 42 OE1 GLU A 3 79.887 -28.446 -20.422 1.00 1.00 O ATOM 43 OE2 GLU A 3 79.397 -30.396 -21.195 1.00 1.00 O ATOM 0 H GLU A 3 76.672 -30.331 -23.177 1.00 1.00 H new ATOM 0 HA GLU A 3 75.346 -28.013 -22.171 1.00 1.00 H new ATOM 0 HB2 GLU A 3 78.200 -28.526 -23.134 1.00 1.00 H new ATOM 0 HB3 GLU A 3 77.689 -27.060 -22.321 1.00 1.00 H new ATOM 0 HG2 GLU A 3 77.359 -28.140 -20.262 1.00 1.00 H new ATOM 0 HG3 GLU A 3 76.988 -29.683 -21.006 1.00 1.00 H new ATOM 50 N GLY A 4 76.812 -27.560 -25.099 1.00 1.00 N ATOM 51 CA GLY A 4 76.716 -26.812 -26.348 1.00 1.00 C ATOM 52 C GLY A 4 76.763 -25.310 -26.088 1.00 1.00 C ATOM 53 O GLY A 4 76.761 -24.509 -27.022 1.00 1.00 O ATOM 0 H GLY A 4 77.669 -28.103 -24.993 1.00 1.00 H new ATOM 0 HA2 GLY A 4 77.534 -27.096 -27.010 1.00 1.00 H new ATOM 0 HA3 GLY A 4 75.788 -27.068 -26.859 1.00 1.00 H new ATOM 57 N GLY A 5 76.805 -24.936 -24.813 1.00 1.00 N ATOM 58 CA GLY A 5 76.853 -23.526 -24.442 1.00 1.00 C ATOM 59 C GLY A 5 76.007 -23.261 -23.202 1.00 1.00 C ATOM 60 O GLY A 5 74.937 -23.844 -23.033 1.00 1.00 O ATOM 0 H GLY A 5 76.807 -25.584 -24.025 1.00 1.00 H new ATOM 0 HA2 GLY A 5 77.885 -23.230 -24.253 1.00 1.00 H new ATOM 0 HA3 GLY A 5 76.493 -22.915 -25.270 1.00 1.00 H new ATOM 64 N ASP A 6 76.494 -22.376 -22.338 1.00 1.00 N ATOM 65 CA ASP A 6 75.773 -22.040 -21.115 1.00 1.00 C ATOM 66 C ASP A 6 74.850 -20.849 -21.348 1.00 1.00 C ATOM 67 O ASP A 6 73.631 -20.961 -21.214 1.00 1.00 O ATOM 68 CB ASP A 6 76.765 -21.710 -19.999 1.00 1.00 C ATOM 69 CG ASP A 6 76.312 -22.353 -18.692 1.00 1.00 C ATOM 70 OD1 ASP A 6 76.574 -23.532 -18.514 1.00 1.00 O ATOM 71 OD2 ASP A 6 75.710 -21.659 -17.891 1.00 1.00 O ATOM 0 H ASP A 6 77.378 -21.882 -22.460 1.00 1.00 H new ATOM 0 HA ASP A 6 75.170 -22.900 -20.822 1.00 1.00 H new ATOM 0 HB2 ASP A 6 77.759 -22.070 -20.266 1.00 1.00 H new ATOM 0 HB3 ASP A 6 76.840 -20.630 -19.876 1.00 1.00 H new ATOM 76 N PHE A 7 75.438 -19.709 -21.695 1.00 1.00 N ATOM 77 CA PHE A 7 74.658 -18.502 -21.943 1.00 1.00 C ATOM 78 C PHE A 7 73.770 -18.182 -20.746 1.00 1.00 C ATOM 79 O PHE A 7 72.602 -17.827 -20.904 1.00 1.00 O ATOM 80 CB PHE A 7 73.790 -18.689 -23.189 1.00 1.00 C ATOM 81 CG PHE A 7 74.674 -18.797 -24.407 1.00 1.00 C ATOM 82 CD1 PHE A 7 75.302 -17.656 -24.921 1.00 1.00 C ATOM 83 CD2 PHE A 7 74.864 -20.039 -25.025 1.00 1.00 C ATOM 84 CE1 PHE A 7 76.122 -17.758 -26.052 1.00 1.00 C ATOM 85 CE2 PHE A 7 75.684 -20.140 -26.156 1.00 1.00 C ATOM 86 CZ PHE A 7 76.313 -19.000 -26.670 1.00 1.00 C ATOM 0 H PHE A 7 76.445 -19.595 -21.810 1.00 1.00 H new ATOM 0 HA PHE A 7 75.347 -17.673 -22.101 1.00 1.00 H new ATOM 0 HB2 PHE A 7 73.180 -19.587 -23.089 1.00 1.00 H new ATOM 0 HB3 PHE A 7 73.105 -17.848 -23.297 1.00 1.00 H new ATOM 0 HD1 PHE A 7 75.154 -16.698 -24.446 1.00 1.00 H new ATOM 0 HD2 PHE A 7 74.378 -20.919 -24.630 1.00 1.00 H new ATOM 0 HE1 PHE A 7 76.607 -16.878 -26.448 1.00 1.00 H new ATOM 0 HE2 PHE A 7 75.831 -21.098 -26.632 1.00 1.00 H new ATOM 0 HZ PHE A 7 76.945 -19.078 -27.542 1.00 1.00 H new ATOM 96 N ASP A 8 74.330 -18.310 -19.547 1.00 1.00 N ATOM 97 CA ASP A 8 73.578 -18.031 -18.329 1.00 1.00 C ATOM 98 C ASP A 8 74.525 -17.744 -17.168 1.00 1.00 C ATOM 99 O ASP A 8 74.537 -18.466 -16.171 1.00 1.00 O ATOM 100 CB ASP A 8 72.688 -19.225 -17.981 1.00 1.00 C ATOM 101 CG ASP A 8 71.446 -19.225 -18.867 1.00 1.00 C ATOM 102 OD1 ASP A 8 70.900 -18.157 -19.088 1.00 1.00 O ATOM 103 OD2 ASP A 8 71.061 -20.293 -19.312 1.00 1.00 O ATOM 0 H ASP A 8 75.295 -18.603 -19.393 1.00 1.00 H new ATOM 0 HA ASP A 8 72.956 -17.152 -18.501 1.00 1.00 H new ATOM 0 HB2 ASP A 8 73.242 -20.154 -18.117 1.00 1.00 H new ATOM 0 HB3 ASP A 8 72.396 -19.178 -16.932 1.00 1.00 H new ATOM 108 N ASN A 9 75.316 -16.684 -17.305 1.00 1.00 N ATOM 109 CA ASN A 9 76.263 -16.310 -16.262 1.00 1.00 C ATOM 110 C ASN A 9 76.788 -14.900 -16.505 1.00 1.00 C ATOM 111 O ASN A 9 77.220 -14.572 -17.610 1.00 1.00 O ATOM 112 CB ASN A 9 77.432 -17.296 -16.240 1.00 1.00 C ATOM 113 CG ASN A 9 77.301 -18.232 -15.043 1.00 1.00 C ATOM 114 OD1 ASN A 9 77.070 -17.779 -13.923 1.00 1.00 O ATOM 115 ND2 ASN A 9 77.435 -19.519 -15.215 1.00 1.00 N ATOM 0 H ASN A 9 75.320 -16.073 -18.122 1.00 1.00 H new ATOM 0 HA ASN A 9 75.750 -16.337 -15.301 1.00 1.00 H new ATOM 0 HB2 ASN A 9 77.449 -17.874 -17.164 1.00 1.00 H new ATOM 0 HB3 ASN A 9 78.376 -16.753 -16.186 1.00 1.00 H new ATOM 0 HD21 ASN A 9 77.348 -20.152 -14.420 1.00 1.00 H new ATOM 0 HD22 ASN A 9 77.627 -19.892 -16.145 1.00 1.00 H new ATOM 122 N TYR A 10 76.754 -14.072 -15.467 1.00 1.00 N ATOM 123 CA TYR A 10 77.233 -12.702 -15.576 1.00 1.00 C ATOM 124 C TYR A 10 76.321 -11.870 -16.476 1.00 1.00 C ATOM 125 O TYR A 10 76.097 -10.687 -16.217 1.00 1.00 O ATOM 126 CB TYR A 10 78.648 -12.717 -16.134 1.00 1.00 C ATOM 127 CG TYR A 10 79.400 -11.501 -15.645 1.00 1.00 C ATOM 128 CD1 TYR A 10 79.808 -11.422 -14.309 1.00 1.00 C ATOM 129 CD2 TYR A 10 79.689 -10.455 -16.530 1.00 1.00 C ATOM 130 CE1 TYR A 10 80.505 -10.295 -13.856 1.00 1.00 C ATOM 131 CE2 TYR A 10 80.387 -9.329 -16.078 1.00 1.00 C ATOM 132 CZ TYR A 10 80.795 -9.249 -14.741 1.00 1.00 C ATOM 133 OH TYR A 10 81.483 -8.139 -14.294 1.00 1.00 O ATOM 0 H TYR A 10 76.401 -14.326 -14.544 1.00 1.00 H new ATOM 0 HA TYR A 10 77.228 -12.245 -14.586 1.00 1.00 H new ATOM 0 HB2 TYR A 10 79.163 -13.625 -15.821 1.00 1.00 H new ATOM 0 HB3 TYR A 10 78.620 -12.725 -17.224 1.00 1.00 H new ATOM 0 HD1 TYR A 10 79.586 -12.230 -13.627 1.00 1.00 H new ATOM 0 HD2 TYR A 10 79.373 -10.517 -17.561 1.00 1.00 H new ATOM 0 HE1 TYR A 10 80.819 -10.232 -12.824 1.00 1.00 H new ATOM 0 HE2 TYR A 10 80.611 -8.522 -16.760 1.00 1.00 H new ATOM 0 HH TYR A 10 81.602 -7.508 -15.034 1.00 1.00 H new ATOM 143 N TYR A 11 75.791 -12.491 -17.527 1.00 1.00 N ATOM 144 CA TYR A 11 74.901 -11.792 -18.447 1.00 1.00 C ATOM 145 C TYR A 11 75.414 -10.383 -18.727 1.00 1.00 C ATOM 146 O TYR A 11 74.638 -9.431 -18.813 1.00 1.00 O ATOM 147 CB TYR A 11 73.493 -11.725 -17.850 1.00 1.00 C ATOM 148 CG TYR A 11 73.340 -12.816 -16.817 1.00 1.00 C ATOM 149 CD1 TYR A 11 73.693 -12.571 -15.484 1.00 1.00 C ATOM 150 CD2 TYR A 11 72.851 -14.072 -17.191 1.00 1.00 C ATOM 151 CE1 TYR A 11 73.556 -13.582 -14.526 1.00 1.00 C ATOM 152 CE2 TYR A 11 72.714 -15.084 -16.233 1.00 1.00 C ATOM 153 CZ TYR A 11 73.067 -14.840 -14.901 1.00 1.00 C ATOM 154 OH TYR A 11 72.932 -15.837 -13.957 1.00 1.00 O ATOM 0 H TYR A 11 75.961 -13.469 -17.761 1.00 1.00 H new ATOM 0 HA TYR A 11 74.871 -12.341 -19.388 1.00 1.00 H new ATOM 0 HB2 TYR A 11 73.324 -10.749 -17.394 1.00 1.00 H new ATOM 0 HB3 TYR A 11 72.746 -11.843 -18.635 1.00 1.00 H new ATOM 0 HD1 TYR A 11 74.071 -11.601 -15.195 1.00 1.00 H new ATOM 0 HD2 TYR A 11 72.579 -14.261 -18.219 1.00 1.00 H new ATOM 0 HE1 TYR A 11 73.827 -13.392 -13.498 1.00 1.00 H new ATOM 0 HE2 TYR A 11 72.336 -16.053 -16.522 1.00 1.00 H new ATOM 0 HH TYR A 11 72.579 -16.646 -14.383 1.00 1.00 H new ATOM 164 N GLY A 12 76.728 -10.258 -18.873 1.00 1.00 N ATOM 165 CA GLY A 12 77.339 -8.962 -19.144 1.00 1.00 C ATOM 166 C GLY A 12 77.544 -8.176 -17.855 1.00 1.00 C ATOM 167 O GLY A 12 78.613 -7.610 -17.624 1.00 1.00 O ATOM 0 H GLY A 12 77.388 -11.033 -18.809 1.00 1.00 H new ATOM 0 HA2 GLY A 12 78.297 -9.105 -19.644 1.00 1.00 H new ATOM 0 HA3 GLY A 12 76.706 -8.393 -19.825 1.00 1.00 H new ATOM 171 N ALA A 13 76.513 -8.145 -17.016 1.00 1.00 N ATOM 172 CA ALA A 13 76.592 -7.424 -15.751 1.00 1.00 C ATOM 173 C ALA A 13 75.578 -7.978 -14.756 1.00 1.00 C ATOM 174 O ALA A 13 75.876 -8.904 -14.001 1.00 1.00 O ATOM 175 CB ALA A 13 76.325 -5.935 -15.979 1.00 1.00 C ATOM 0 H ALA A 13 75.620 -8.607 -17.187 1.00 1.00 H new ATOM 0 HA ALA A 13 77.594 -7.554 -15.343 1.00 1.00 H new ATOM 0 HB1 ALA A 13 76.386 -5.405 -15.029 1.00 1.00 H new ATOM 0 HB2 ALA A 13 77.069 -5.533 -16.667 1.00 1.00 H new ATOM 0 HB3 ALA A 13 75.330 -5.805 -16.404 1.00 1.00 H new ATOM 181 N ASP A 14 74.378 -7.407 -14.760 1.00 1.00 N ATOM 182 CA ASP A 14 73.327 -7.852 -13.853 1.00 1.00 C ATOM 183 C ASP A 14 73.808 -7.798 -12.407 1.00 1.00 C ATOM 184 O ASP A 14 73.399 -8.609 -11.576 1.00 1.00 O ATOM 185 CB ASP A 14 72.910 -9.282 -14.201 1.00 1.00 C ATOM 186 CG ASP A 14 71.424 -9.476 -13.915 1.00 1.00 C ATOM 187 OD1 ASP A 14 70.924 -8.822 -13.015 1.00 1.00 O ATOM 188 OD2 ASP A 14 70.809 -10.275 -14.602 1.00 1.00 O ATOM 0 H ASP A 14 74.110 -6.640 -15.377 1.00 1.00 H new ATOM 0 HA ASP A 14 72.471 -7.186 -13.964 1.00 1.00 H new ATOM 0 HB2 ASP A 14 73.116 -9.484 -15.252 1.00 1.00 H new ATOM 0 HB3 ASP A 14 73.497 -9.993 -13.619 1.00 1.00 H new ATOM 193 N ASN A 15 74.679 -6.838 -12.113 1.00 1.00 N ATOM 194 CA ASN A 15 75.209 -6.688 -10.763 1.00 1.00 C ATOM 195 C ASN A 15 74.339 -5.737 -9.949 1.00 1.00 C ATOM 196 O ASN A 15 74.725 -5.303 -8.863 1.00 1.00 O ATOM 197 CB ASN A 15 76.640 -6.153 -10.820 1.00 1.00 C ATOM 198 CG ASN A 15 77.239 -6.113 -9.418 1.00 1.00 C ATOM 199 OD1 ASN A 15 77.437 -5.036 -8.856 1.00 1.00 O ATOM 200 ND2 ASN A 15 77.539 -7.232 -8.815 1.00 1.00 N ATOM 0 H ASN A 15 75.031 -6.157 -12.786 1.00 1.00 H new ATOM 0 HA ASN A 15 75.207 -7.666 -10.281 1.00 1.00 H new ATOM 0 HB2 ASN A 15 77.248 -6.786 -11.466 1.00 1.00 H new ATOM 0 HB3 ASN A 15 76.646 -5.154 -11.256 1.00 1.00 H new ATOM 0 HD21 ASN A 15 77.938 -7.215 -7.877 1.00 1.00 H new ATOM 0 HD22 ASN A 15 77.374 -8.123 -9.283 1.00 1.00 H new ATOM 207 N GLN A 16 73.164 -5.416 -10.479 1.00 1.00 N ATOM 208 CA GLN A 16 72.247 -4.513 -9.792 1.00 1.00 C ATOM 209 C GLN A 16 71.283 -5.299 -8.909 1.00 1.00 C ATOM 210 O GLN A 16 70.376 -4.728 -8.304 1.00 1.00 O ATOM 211 CB GLN A 16 71.456 -3.695 -10.814 1.00 1.00 C ATOM 212 CG GLN A 16 72.408 -3.148 -11.880 1.00 1.00 C ATOM 213 CD GLN A 16 73.549 -2.385 -11.216 1.00 1.00 C ATOM 214 OE1 GLN A 16 74.685 -2.989 -10.998 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 73.403 -1.207 -10.891 1.00 1.00 N flip ATOM 0 H GLN A 16 72.825 -5.765 -11.376 1.00 1.00 H new ATOM 0 HA GLN A 16 72.831 -3.841 -9.164 1.00 1.00 H new ATOM 0 HB2 GLN A 16 70.691 -4.317 -11.279 1.00 1.00 H new ATOM 0 HB3 GLN A 16 70.940 -2.874 -10.317 1.00 1.00 H new ATOM 0 HG2 GLN A 16 72.807 -3.967 -12.478 1.00 1.00 H new ATOM 0 HG3 GLN A 16 71.867 -2.490 -12.560 1.00 1.00 H new ATOM 0 HE21 GLN A 16 72.514 -0.737 -11.062 1.00 1.00 H new ATOM 0 HE22 GLN A 16 74.171 -0.701 -10.450 1.00 1.00 H new ATOM 224 N SER A 17 71.486 -6.610 -8.841 1.00 1.00 N ATOM 225 CA SER A 17 70.627 -7.464 -8.027 1.00 1.00 C ATOM 226 C SER A 17 70.813 -8.930 -8.407 1.00 1.00 C ATOM 227 O SER A 17 70.595 -9.824 -7.590 1.00 1.00 O ATOM 228 CB SER A 17 69.163 -7.066 -8.221 1.00 1.00 C ATOM 229 OG SER A 17 69.004 -6.469 -9.501 1.00 1.00 O ATOM 0 H SER A 17 72.231 -7.102 -9.335 1.00 1.00 H new ATOM 0 HA SER A 17 70.903 -7.335 -6.981 1.00 1.00 H new ATOM 0 HB2 SER A 17 68.521 -7.943 -8.134 1.00 1.00 H new ATOM 0 HB3 SER A 17 68.857 -6.368 -7.441 1.00 1.00 H new ATOM 0 HG SER A 17 69.226 -5.516 -9.447 1.00 1.00 H new ATOM 235 N GLU A 18 71.216 -9.168 -9.650 1.00 1.00 N ATOM 236 CA GLU A 18 71.427 -10.530 -10.127 1.00 1.00 C ATOM 237 C GLU A 18 70.310 -11.446 -9.639 1.00 1.00 C ATOM 238 O GLU A 18 70.539 -12.617 -9.338 1.00 1.00 O ATOM 239 CB GLU A 18 72.774 -11.055 -9.625 1.00 1.00 C ATOM 240 CG GLU A 18 73.241 -12.202 -10.524 1.00 1.00 C ATOM 241 CD GLU A 18 74.035 -13.215 -9.706 1.00 1.00 C ATOM 242 OE1 GLU A 18 75.125 -12.875 -9.275 1.00 1.00 O ATOM 243 OE2 GLU A 18 73.542 -14.315 -9.522 1.00 1.00 O ATOM 0 H GLU A 18 71.402 -8.442 -10.341 1.00 1.00 H new ATOM 0 HA GLU A 18 71.424 -10.519 -11.217 1.00 1.00 H new ATOM 0 HB2 GLU A 18 73.513 -10.253 -9.627 1.00 1.00 H new ATOM 0 HB3 GLU A 18 72.681 -11.400 -8.595 1.00 1.00 H new ATOM 0 HG2 GLU A 18 72.381 -12.688 -10.984 1.00 1.00 H new ATOM 0 HG3 GLU A 18 73.858 -11.812 -11.334 1.00 1.00 H new ATOM 250 N CYS A 19 69.098 -10.904 -9.565 1.00 1.00 N ATOM 251 CA CYS A 19 67.950 -11.682 -9.113 1.00 1.00 C ATOM 252 C CYS A 19 66.712 -11.332 -9.927 1.00 1.00 C ATOM 253 O CYS A 19 65.590 -11.598 -9.502 1.00 1.00 O ATOM 254 CB CYS A 19 67.683 -11.408 -7.632 1.00 1.00 C ATOM 255 SG CYS A 19 67.353 -12.970 -6.780 1.00 1.00 S ATOM 0 H CYS A 19 68.886 -9.937 -9.810 1.00 1.00 H new ATOM 0 HA CYS A 19 68.175 -12.739 -9.252 1.00 1.00 H new ATOM 0 HB2 CYS A 19 68.542 -10.911 -7.182 1.00 1.00 H new ATOM 0 HB3 CYS A 19 66.832 -10.735 -7.523 1.00 1.00 H new ATOM 0 HG CYS A 19 67.128 -12.738 -5.521 1.00 1.00 H new ATOM 261 N GLU A 20 66.933 -10.741 -11.100 1.00 1.00 N ATOM 262 CA GLU A 20 65.840 -10.349 -11.985 1.00 1.00 C ATOM 263 C GLU A 20 64.638 -9.852 -11.189 1.00 1.00 C ATOM 264 O GLU A 20 63.502 -9.904 -11.660 1.00 1.00 O ATOM 265 CB GLU A 20 65.437 -11.522 -12.886 1.00 1.00 C ATOM 266 CG GLU A 20 65.021 -12.732 -12.043 1.00 1.00 C ATOM 267 CD GLU A 20 64.359 -13.778 -12.933 1.00 1.00 C ATOM 268 OE1 GLU A 20 65.072 -14.611 -13.468 1.00 1.00 O ATOM 269 OE2 GLU A 20 63.148 -13.727 -13.070 1.00 1.00 O ATOM 0 H GLU A 20 67.862 -10.523 -11.459 1.00 1.00 H new ATOM 0 HA GLU A 20 66.191 -9.529 -12.611 1.00 1.00 H new ATOM 0 HB2 GLU A 20 64.613 -11.223 -13.534 1.00 1.00 H new ATOM 0 HB3 GLU A 20 66.271 -11.793 -13.534 1.00 1.00 H new ATOM 0 HG2 GLU A 20 65.893 -13.160 -11.550 1.00 1.00 H new ATOM 0 HG3 GLU A 20 64.332 -12.420 -11.258 1.00 1.00 H new ATOM 276 N TYR A 21 64.902 -9.366 -9.979 1.00 1.00 N ATOM 277 CA TYR A 21 63.841 -8.852 -9.115 1.00 1.00 C ATOM 278 C TYR A 21 63.119 -9.993 -8.404 1.00 1.00 C ATOM 279 O TYR A 21 61.893 -9.993 -8.298 1.00 1.00 O ATOM 280 CB TYR A 21 62.835 -8.046 -9.940 1.00 1.00 C ATOM 281 CG TYR A 21 62.265 -6.933 -9.093 1.00 1.00 C ATOM 282 CD1 TYR A 21 63.089 -5.882 -8.674 1.00 1.00 C ATOM 283 CD2 TYR A 21 60.913 -6.950 -8.728 1.00 1.00 C ATOM 284 CE1 TYR A 21 62.562 -4.849 -7.890 1.00 1.00 C ATOM 285 CE2 TYR A 21 60.387 -5.918 -7.944 1.00 1.00 C ATOM 286 CZ TYR A 21 61.211 -4.866 -7.525 1.00 1.00 C ATOM 287 OH TYR A 21 60.691 -3.848 -6.752 1.00 1.00 O ATOM 0 H TYR A 21 65.837 -9.317 -9.575 1.00 1.00 H new ATOM 0 HA TYR A 21 64.298 -8.206 -8.365 1.00 1.00 H new ATOM 0 HB2 TYR A 21 63.322 -7.632 -10.823 1.00 1.00 H new ATOM 0 HB3 TYR A 21 62.034 -8.696 -10.292 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.132 -5.868 -8.956 1.00 1.00 H new ATOM 0 HD2 TYR A 21 60.276 -7.760 -9.052 1.00 1.00 H new ATOM 0 HE1 TYR A 21 63.198 -4.038 -7.567 1.00 1.00 H new ATOM 0 HE2 TYR A 21 59.345 -5.932 -7.662 1.00 1.00 H new ATOM 0 HH TYR A 21 59.739 -4.013 -6.591 1.00 1.00 H new ATOM 297 N THR A 22 63.886 -10.961 -7.915 1.00 1.00 N ATOM 298 CA THR A 22 63.308 -12.101 -7.213 1.00 1.00 C ATOM 299 C THR A 22 62.240 -12.770 -8.070 1.00 1.00 C ATOM 300 O THR A 22 61.287 -13.351 -7.550 1.00 1.00 O ATOM 301 CB THR A 22 62.690 -11.641 -5.890 1.00 1.00 C ATOM 302 OG1 THR A 22 61.448 -11.003 -6.146 1.00 1.00 O ATOM 303 CG2 THR A 22 63.637 -10.663 -5.195 1.00 1.00 C ATOM 0 H THR A 22 64.903 -10.980 -7.991 1.00 1.00 H new ATOM 0 HA THR A 22 64.101 -12.821 -7.012 1.00 1.00 H new ATOM 0 HB THR A 22 62.528 -12.504 -5.245 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.577 -10.289 -6.805 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.196 -10.336 -4.253 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.589 -11.156 -4.998 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.803 -9.798 -5.837 1.00 1.00 H new ATOM 311 N ASP A 23 62.408 -12.689 -9.384 1.00 1.00 N ATOM 312 CA ASP A 23 61.455 -13.293 -10.306 1.00 1.00 C ATOM 313 C ASP A 23 61.998 -14.614 -10.838 1.00 1.00 C ATOM 314 O ASP A 23 61.311 -15.331 -11.565 1.00 1.00 O ATOM 315 CB ASP A 23 61.175 -12.343 -11.470 1.00 1.00 C ATOM 316 CG ASP A 23 60.231 -11.233 -11.020 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.202 -10.952 -9.834 1.00 1.00 O ATOM 318 OD2 ASP A 23 59.550 -10.679 -11.869 1.00 1.00 O ATOM 0 H ASP A 23 63.191 -12.214 -9.833 1.00 1.00 H new ATOM 0 HA ASP A 23 60.526 -13.483 -9.769 1.00 1.00 H new ATOM 0 HB2 ASP A 23 62.109 -11.913 -11.832 1.00 1.00 H new ATOM 0 HB3 ASP A 23 60.733 -12.893 -12.301 1.00 1.00 H new ATOM 323 N TRP A 24 63.236 -14.929 -10.471 1.00 1.00 N ATOM 324 CA TRP A 24 63.859 -16.169 -10.917 1.00 1.00 C ATOM 325 C TRP A 24 63.083 -17.372 -10.392 1.00 1.00 C ATOM 326 O TRP A 24 63.330 -18.508 -10.797 1.00 1.00 O ATOM 327 CB TRP A 24 65.309 -16.237 -10.429 1.00 1.00 C ATOM 328 CG TRP A 24 65.334 -16.604 -8.980 1.00 1.00 C ATOM 329 CD1 TRP A 24 65.334 -15.720 -7.955 1.00 1.00 C ATOM 330 CD2 TRP A 24 65.365 -17.930 -8.376 1.00 1.00 C ATOM 331 NE1 TRP A 24 65.364 -16.420 -6.762 1.00 1.00 N ATOM 332 CE2 TRP A 24 65.383 -17.784 -6.968 1.00 1.00 C ATOM 333 CE3 TRP A 24 65.378 -19.232 -8.908 1.00 1.00 C ATOM 334 CZ2 TRP A 24 65.413 -18.890 -6.119 1.00 1.00 C ATOM 335 CZ3 TRP A 24 65.408 -20.348 -8.055 1.00 1.00 C ATOM 336 CH2 TRP A 24 65.426 -20.177 -6.664 1.00 1.00 C ATOM 0 H TRP A 24 63.823 -14.349 -9.872 1.00 1.00 H new ATOM 0 HA TRP A 24 63.847 -16.189 -12.007 1.00 1.00 H new ATOM 0 HB2 TRP A 24 65.865 -16.973 -11.010 1.00 1.00 H new ATOM 0 HB3 TRP A 24 65.799 -15.275 -10.579 1.00 1.00 H new ATOM 0 HD1 TRP A 24 65.314 -14.645 -8.052 1.00 1.00 H new ATOM 0 HE1 TRP A 24 65.371 -15.981 -5.841 1.00 1.00 H new ATOM 0 HE3 TRP A 24 65.365 -19.375 -9.978 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 65.426 -18.753 -5.048 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 65.417 -21.344 -8.474 1.00 1.00 H new ATOM 0 HH2 TRP A 24 65.450 -21.039 -6.014 1.00 1.00 H new ATOM 347 N LYS A 25 62.142 -17.111 -9.489 1.00 1.00 N ATOM 348 CA LYS A 25 61.330 -18.177 -8.913 1.00 1.00 C ATOM 349 C LYS A 25 59.862 -17.764 -8.857 1.00 1.00 C ATOM 350 O LYS A 25 59.015 -18.517 -8.374 1.00 1.00 O ATOM 351 CB LYS A 25 61.823 -18.522 -7.502 1.00 1.00 C ATOM 352 CG LYS A 25 62.237 -17.246 -6.756 1.00 1.00 C ATOM 353 CD LYS A 25 61.031 -16.315 -6.613 1.00 1.00 C ATOM 354 CE LYS A 25 61.268 -15.349 -5.451 1.00 1.00 C ATOM 355 NZ LYS A 25 60.240 -14.271 -5.483 1.00 1.00 N ATOM 0 H LYS A 25 61.924 -16.177 -9.142 1.00 1.00 H new ATOM 0 HA LYS A 25 61.425 -19.057 -9.549 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.036 -19.035 -6.950 1.00 1.00 H new ATOM 0 HB3 LYS A 25 62.669 -19.207 -7.562 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.630 -17.501 -5.772 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.036 -16.740 -7.298 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.876 -15.758 -7.537 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.127 -16.898 -6.437 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.219 -15.885 -4.503 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.266 -14.917 -5.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.391 -13.624 -4.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.319 -13.743 -6.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 59.292 -14.693 -5.413 1.00 1.00 H new ATOM 369 N SER A 26 59.569 -16.566 -9.356 1.00 1.00 N ATOM 370 CA SER A 26 58.201 -16.059 -9.361 1.00 1.00 C ATOM 371 C SER A 26 57.486 -16.417 -8.063 1.00 1.00 C ATOM 372 O SER A 26 56.920 -17.504 -7.933 1.00 1.00 O ATOM 373 CB SER A 26 57.433 -16.641 -10.547 1.00 1.00 C ATOM 374 OG SER A 26 56.060 -16.769 -10.201 1.00 1.00 O ATOM 0 H SER A 26 60.257 -15.931 -9.760 1.00 1.00 H new ATOM 0 HA SER A 26 58.239 -14.973 -9.450 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.542 -15.994 -11.418 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.844 -17.613 -10.819 1.00 1.00 H new ATOM 0 HG SER A 26 55.967 -17.408 -9.464 1.00 1.00 H new ATOM 380 N SER A 27 57.513 -15.498 -7.104 1.00 1.00 N ATOM 381 CA SER A 27 56.863 -15.729 -5.819 1.00 1.00 C ATOM 382 C SER A 27 56.669 -14.414 -5.070 1.00 1.00 C ATOM 383 O SER A 27 55.671 -14.225 -4.375 1.00 1.00 O ATOM 384 CB SER A 27 57.709 -16.678 -4.971 1.00 1.00 C ATOM 385 OG SER A 27 58.840 -15.978 -4.469 1.00 1.00 O ATOM 0 H SER A 27 57.974 -14.592 -7.191 1.00 1.00 H new ATOM 0 HA SER A 27 55.886 -16.176 -6.004 1.00 1.00 H new ATOM 0 HB2 SER A 27 57.116 -17.073 -4.146 1.00 1.00 H new ATOM 0 HB3 SER A 27 58.031 -17.530 -5.570 1.00 1.00 H new ATOM 0 HG SER A 27 59.202 -16.455 -3.693 1.00 1.00 H new ATOM 391 N GLY A 28 57.630 -13.507 -5.218 1.00 1.00 N ATOM 392 CA GLY A 28 57.555 -12.213 -4.551 1.00 1.00 C ATOM 393 C GLY A 28 56.517 -11.315 -5.217 1.00 1.00 C ATOM 394 O GLY A 28 56.541 -10.096 -5.047 1.00 1.00 O ATOM 0 H GLY A 28 58.464 -13.643 -5.790 1.00 1.00 H new ATOM 0 HA2 GLY A 28 57.298 -12.355 -3.501 1.00 1.00 H new ATOM 0 HA3 GLY A 28 58.531 -11.729 -4.578 1.00 1.00 H new ATOM 398 N ALA A 29 55.611 -11.929 -5.973 1.00 1.00 N ATOM 399 CA ALA A 29 54.564 -11.181 -6.664 1.00 1.00 C ATOM 400 C ALA A 29 53.192 -11.538 -6.100 1.00 1.00 C ATOM 401 O ALA A 29 52.174 -10.992 -6.524 1.00 1.00 O ATOM 402 CB ALA A 29 54.598 -11.499 -8.159 1.00 1.00 C ATOM 0 H ALA A 29 55.580 -12.937 -6.123 1.00 1.00 H new ATOM 0 HA ALA A 29 54.743 -10.116 -6.513 1.00 1.00 H new ATOM 0 HB1 ALA A 29 53.815 -10.938 -8.668 1.00 1.00 H new ATOM 0 HB2 ALA A 29 55.569 -11.220 -8.568 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.435 -12.566 -8.308 1.00 1.00 H new ATOM 408 N LEU A 30 53.173 -12.459 -5.142 1.00 1.00 N ATOM 409 CA LEU A 30 51.920 -12.882 -4.526 1.00 1.00 C ATOM 410 C LEU A 30 52.109 -13.114 -3.030 1.00 1.00 C ATOM 411 O LEU A 30 51.159 -13.017 -2.253 1.00 1.00 O ATOM 412 CB LEU A 30 51.419 -14.169 -5.187 1.00 1.00 C ATOM 413 CG LEU A 30 52.526 -15.224 -5.159 1.00 1.00 C ATOM 414 CD1 LEU A 30 52.051 -16.441 -4.363 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.856 -15.651 -6.591 1.00 1.00 C ATOM 0 H LEU A 30 54.004 -12.924 -4.777 1.00 1.00 H new ATOM 0 HA LEU A 30 51.183 -12.092 -4.668 1.00 1.00 H new ATOM 0 HB2 LEU A 30 50.537 -14.539 -4.664 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.119 -13.969 -6.216 1.00 1.00 H new ATOM 0 HG LEU A 30 53.415 -14.806 -4.688 1.00 1.00 H new ATOM 0 HD11 LEU A 30 52.840 -17.193 -4.343 1.00 1.00 H new ATOM 0 HD12 LEU A 30 51.812 -16.138 -3.343 1.00 1.00 H new ATOM 0 HD13 LEU A 30 51.162 -16.860 -4.835 1.00 1.00 H new ATOM 0 HD21 LEU A 30 53.645 -16.403 -6.574 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.966 -16.070 -7.060 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.193 -14.785 -7.160 1.00 1.00 H new ATOM 427 N ILE A 31 53.341 -13.417 -2.632 1.00 1.00 N ATOM 428 CA ILE A 31 53.639 -13.657 -1.225 1.00 1.00 C ATOM 429 C ILE A 31 53.470 -12.373 -0.407 1.00 1.00 C ATOM 430 O ILE A 31 52.943 -12.410 0.706 1.00 1.00 O ATOM 431 CB ILE A 31 55.065 -14.226 -1.083 1.00 1.00 C ATOM 432 CG1 ILE A 31 54.975 -15.717 -0.744 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.846 -13.511 0.031 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.204 -16.449 -1.844 1.00 1.00 C ATOM 0 H ILE A 31 54.142 -13.502 -3.258 1.00 1.00 H new ATOM 0 HA ILE A 31 52.934 -14.390 -0.833 1.00 1.00 H new ATOM 0 HB ILE A 31 55.590 -14.072 -2.026 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.975 -16.139 -0.645 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.476 -15.852 0.215 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.847 -13.936 0.104 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.919 -12.448 -0.201 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.326 -13.640 0.980 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.141 -17.510 -1.600 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.199 -16.035 -1.921 1.00 1.00 H new ATOM 0 HD13 ILE A 31 54.722 -16.325 -2.795 1.00 1.00 H new ATOM 446 N PRO A 32 53.902 -11.247 -0.923 1.00 1.00 N ATOM 447 CA PRO A 32 53.789 -9.949 -0.214 1.00 1.00 C ATOM 448 C PRO A 32 52.451 -9.263 -0.477 1.00 1.00 C ATOM 449 O PRO A 32 52.294 -8.068 -0.223 1.00 1.00 O ATOM 450 CB PRO A 32 54.947 -9.137 -0.793 1.00 1.00 C ATOM 451 CG PRO A 32 55.183 -9.684 -2.168 1.00 1.00 C ATOM 452 CD PRO A 32 54.544 -11.079 -2.234 1.00 1.00 C ATOM 0 HA PRO A 32 53.834 -10.060 0.869 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.700 -8.076 -0.832 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.840 -9.234 -0.175 1.00 1.00 H new ATOM 0 HG2 PRO A 32 54.746 -9.028 -2.920 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.251 -9.743 -2.378 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.818 -11.146 -3.044 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.292 -11.851 -2.412 1.00 1.00 H new ATOM 460 N ALA A 33 51.492 -10.028 -0.987 1.00 1.00 N ATOM 461 CA ALA A 33 50.169 -9.487 -1.281 1.00 1.00 C ATOM 462 C ALA A 33 49.164 -9.923 -0.219 1.00 1.00 C ATOM 463 O ALA A 33 48.276 -9.159 0.159 1.00 1.00 O ATOM 464 CB ALA A 33 49.704 -9.967 -2.657 1.00 1.00 C ATOM 0 H ALA A 33 51.604 -11.018 -1.204 1.00 1.00 H new ATOM 0 HA ALA A 33 50.232 -8.399 -1.279 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.716 -9.559 -2.870 1.00 1.00 H new ATOM 0 HB2 ALA A 33 50.408 -9.628 -3.417 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.657 -11.056 -2.666 1.00 1.00 H new ATOM 470 N ILE A 34 49.310 -11.154 0.261 1.00 1.00 N ATOM 471 CA ILE A 34 48.410 -11.677 1.282 1.00 1.00 C ATOM 472 C ILE A 34 48.941 -11.353 2.675 1.00 1.00 C ATOM 473 O ILE A 34 48.170 -11.157 3.614 1.00 1.00 O ATOM 474 CB ILE A 34 48.265 -13.194 1.133 1.00 1.00 C ATOM 475 CG1 ILE A 34 48.536 -13.605 -0.320 1.00 1.00 C ATOM 476 CG2 ILE A 34 46.850 -13.619 1.534 1.00 1.00 C ATOM 477 CD1 ILE A 34 47.646 -12.802 -1.278 1.00 1.00 C ATOM 0 H ILE A 34 50.037 -11.804 -0.038 1.00 1.00 H new ATOM 0 HA ILE A 34 47.435 -11.207 1.153 1.00 1.00 H new ATOM 0 HB ILE A 34 48.988 -13.687 1.784 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.586 -13.438 -0.562 1.00 1.00 H new ATOM 0 HG13 ILE A 34 48.346 -14.671 -0.445 1.00 1.00 H new ATOM 0 HG21 ILE A 34 46.750 -14.699 1.427 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.666 -13.339 2.571 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.125 -13.122 0.890 1.00 1.00 H new ATOM 0 HD11 ILE A 34 47.850 -13.105 -2.305 1.00 1.00 H new ATOM 0 HD12 ILE A 34 46.598 -12.991 -1.046 1.00 1.00 H new ATOM 0 HD13 ILE A 34 47.857 -11.739 -1.165 1.00 1.00 H new ATOM 489 N TYR A 35 50.263 -11.300 2.798 1.00 1.00 N ATOM 490 CA TYR A 35 50.889 -11.000 4.081 1.00 1.00 C ATOM 491 C TYR A 35 50.690 -9.532 4.447 1.00 1.00 C ATOM 492 O TYR A 35 51.343 -9.016 5.354 1.00 1.00 O ATOM 493 CB TYR A 35 52.385 -11.312 4.016 1.00 1.00 C ATOM 494 CG TYR A 35 52.635 -12.698 4.560 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.309 -13.822 3.790 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.191 -12.860 5.835 1.00 1.00 C ATOM 497 CE1 TYR A 35 52.540 -15.106 4.296 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.422 -14.145 6.339 1.00 1.00 C ATOM 499 CZ TYR A 35 53.097 -15.268 5.570 1.00 1.00 C ATOM 500 OH TYR A 35 53.325 -16.534 6.067 1.00 1.00 O ATOM 0 H TYR A 35 50.917 -11.459 2.032 1.00 1.00 H new ATOM 0 HA TYR A 35 50.420 -11.619 4.846 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.737 -11.245 2.986 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.946 -10.577 4.593 1.00 1.00 H new ATOM 0 HD1 TYR A 35 51.880 -13.698 2.807 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.441 -11.994 6.429 1.00 1.00 H new ATOM 0 HE1 TYR A 35 52.288 -15.973 3.703 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.851 -14.270 7.322 1.00 1.00 H new ATOM 0 HH TYR A 35 53.716 -16.468 6.963 1.00 1.00 H new ATOM 510 N MET A 36 49.782 -8.869 3.733 1.00 1.00 N ATOM 511 CA MET A 36 49.497 -7.459 3.985 1.00 1.00 C ATOM 512 C MET A 36 48.048 -7.279 4.424 1.00 1.00 C ATOM 513 O MET A 36 47.774 -6.668 5.458 1.00 1.00 O ATOM 514 CB MET A 36 49.752 -6.643 2.717 1.00 1.00 C ATOM 515 CG MET A 36 51.030 -7.141 2.040 1.00 1.00 C ATOM 516 SD MET A 36 52.379 -7.173 3.246 1.00 1.00 S ATOM 517 CE MET A 36 52.951 -5.475 2.991 1.00 1.00 C ATOM 0 H MET A 36 49.234 -9.284 2.979 1.00 1.00 H new ATOM 0 HA MET A 36 50.154 -7.109 4.781 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.906 -6.736 2.035 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.847 -5.586 2.965 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.872 -8.138 1.629 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.290 -6.490 1.205 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.797 -5.274 3.648 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.259 -5.347 1.953 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.142 -4.781 3.218 1.00 1.00 H new ATOM 527 N LEU A 37 47.124 -7.815 3.633 1.00 1.00 N ATOM 528 CA LEU A 37 45.705 -7.709 3.951 1.00 1.00 C ATOM 529 C LEU A 37 45.358 -8.599 5.141 1.00 1.00 C ATOM 530 O LEU A 37 44.185 -8.843 5.424 1.00 1.00 O ATOM 531 CB LEU A 37 44.866 -8.121 2.740 1.00 1.00 C ATOM 532 CG LEU A 37 45.398 -7.420 1.489 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.521 -7.782 0.289 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.368 -5.905 1.702 1.00 1.00 C ATOM 0 H LEU A 37 47.330 -8.324 2.773 1.00 1.00 H new ATOM 0 HA LEU A 37 45.484 -6.673 4.208 1.00 1.00 H new ATOM 0 HB2 LEU A 37 44.905 -9.202 2.608 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.821 -7.857 2.901 1.00 1.00 H new ATOM 0 HG LEU A 37 46.422 -7.741 1.301 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.900 -7.282 -0.603 1.00 1.00 H new ATOM 0 HD12 LEU A 37 44.541 -8.861 0.136 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.497 -7.461 0.477 1.00 1.00 H new ATOM 0 HD21 LEU A 37 45.747 -5.405 0.811 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.343 -5.584 1.890 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.992 -5.645 2.557 1.00 1.00 H new ATOM 546 N VAL A 38 46.387 -9.080 5.830 1.00 1.00 N ATOM 547 CA VAL A 38 46.186 -9.944 6.988 1.00 1.00 C ATOM 548 C VAL A 38 47.084 -9.508 8.141 1.00 1.00 C ATOM 549 O VAL A 38 46.651 -9.455 9.292 1.00 1.00 O ATOM 550 CB VAL A 38 46.498 -11.394 6.618 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.084 -12.315 7.767 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.721 -11.775 5.356 1.00 1.00 C ATOM 0 H VAL A 38 47.364 -8.888 5.609 1.00 1.00 H new ATOM 0 HA VAL A 38 45.145 -9.865 7.301 1.00 1.00 H new ATOM 0 HB VAL A 38 47.567 -11.500 6.435 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.307 -13.349 7.503 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.635 -12.044 8.667 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.015 -12.210 7.951 1.00 1.00 H new ATOM 0 HG21 VAL A 38 45.942 -12.809 5.091 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.652 -11.669 5.541 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.014 -11.119 4.536 1.00 1.00 H new ATOM 562 N PHE A 39 48.337 -9.196 7.824 1.00 1.00 N ATOM 563 CA PHE A 39 49.287 -8.765 8.842 1.00 1.00 C ATOM 564 C PHE A 39 48.829 -7.458 9.481 1.00 1.00 C ATOM 565 O PHE A 39 49.107 -7.197 10.652 1.00 1.00 O ATOM 566 CB PHE A 39 50.671 -8.573 8.220 1.00 1.00 C ATOM 567 CG PHE A 39 51.692 -8.381 9.316 1.00 1.00 C ATOM 568 CD1 PHE A 39 51.860 -7.121 9.901 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.469 -9.463 9.746 1.00 1.00 C ATOM 570 CE1 PHE A 39 52.807 -6.943 10.919 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.414 -9.285 10.764 1.00 1.00 C ATOM 572 CZ PHE A 39 53.583 -8.026 11.350 1.00 1.00 C ATOM 0 H PHE A 39 48.715 -9.233 6.878 1.00 1.00 H new ATOM 0 HA PHE A 39 49.340 -9.535 9.611 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.932 -9.440 7.613 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.667 -7.708 7.556 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.261 -6.286 9.568 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.340 -10.435 9.293 1.00 1.00 H new ATOM 0 HE1 PHE A 39 52.938 -5.971 11.371 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.013 -10.120 11.097 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.312 -7.889 12.135 1.00 1.00 H new ATOM 582 N LEU A 40 48.126 -6.641 8.704 1.00 1.00 N ATOM 583 CA LEU A 40 47.633 -5.363 9.205 1.00 1.00 C ATOM 584 C LEU A 40 46.149 -5.459 9.548 1.00 1.00 C ATOM 585 O LEU A 40 45.343 -4.649 9.093 1.00 1.00 O ATOM 586 CB LEU A 40 47.846 -4.274 8.153 1.00 1.00 C ATOM 587 CG LEU A 40 49.344 -4.073 7.920 1.00 1.00 C ATOM 588 CD1 LEU A 40 49.597 -3.779 6.442 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.836 -2.897 8.765 1.00 1.00 C ATOM 0 H LEU A 40 47.886 -6.838 7.732 1.00 1.00 H new ATOM 0 HA LEU A 40 48.187 -5.109 10.108 1.00 1.00 H new ATOM 0 HB2 LEU A 40 47.357 -4.555 7.220 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.390 -3.341 8.484 1.00 1.00 H new ATOM 0 HG LEU A 40 49.881 -4.978 8.206 1.00 1.00 H new ATOM 0 HD11 LEU A 40 50.665 -3.636 6.277 1.00 1.00 H new ATOM 0 HD12 LEU A 40 49.246 -4.616 5.839 1.00 1.00 H new ATOM 0 HD13 LEU A 40 49.061 -2.875 6.154 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.904 -2.752 8.600 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.299 -1.993 8.478 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.657 -3.107 9.820 1.00 1.00 H new ATOM 601 N LEU A 41 45.798 -6.456 10.355 1.00 1.00 N ATOM 602 CA LEU A 41 44.410 -6.652 10.756 1.00 1.00 C ATOM 603 C LEU A 41 44.330 -7.094 12.215 1.00 1.00 C ATOM 604 O LEU A 41 43.498 -6.604 12.978 1.00 1.00 O ATOM 605 CB LEU A 41 43.757 -7.715 9.866 1.00 1.00 C ATOM 606 CG LEU A 41 42.425 -7.198 9.308 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.513 -6.772 10.461 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.667 -6.001 8.380 1.00 1.00 C ATOM 0 H LEU A 41 46.452 -7.137 10.742 1.00 1.00 H new ATOM 0 HA LEU A 41 43.882 -5.705 10.645 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.427 -7.974 9.046 1.00 1.00 H new ATOM 0 HB3 LEU A 41 43.589 -8.626 10.440 1.00 1.00 H new ATOM 0 HG LEU A 41 41.948 -7.997 8.741 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.568 -6.405 10.061 1.00 1.00 H new ATOM 0 HD12 LEU A 41 41.325 -7.627 11.111 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.996 -5.980 11.034 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.714 -5.644 7.991 1.00 1.00 H new ATOM 0 HD22 LEU A 41 43.154 -5.201 8.938 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.306 -6.306 7.551 1.00 1.00 H new ATOM 620 N GLY A 42 45.199 -8.026 12.595 1.00 1.00 N ATOM 621 CA GLY A 42 45.216 -8.529 13.963 1.00 1.00 C ATOM 622 C GLY A 42 45.869 -7.528 14.910 1.00 1.00 C ATOM 623 O GLY A 42 45.712 -7.619 16.128 1.00 1.00 O ATOM 0 H GLY A 42 45.896 -8.445 11.979 1.00 1.00 H new ATOM 0 HA2 GLY A 42 44.197 -8.733 14.291 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.757 -9.474 13.999 1.00 1.00 H new ATOM 627 N THR A 43 46.603 -6.575 14.345 1.00 1.00 N ATOM 628 CA THR A 43 47.276 -5.563 15.152 1.00 1.00 C ATOM 629 C THR A 43 47.161 -4.193 14.494 1.00 1.00 C ATOM 630 O THR A 43 46.824 -3.206 15.148 1.00 1.00 O ATOM 631 CB THR A 43 48.751 -5.929 15.323 1.00 1.00 C ATOM 632 OG1 THR A 43 49.524 -4.740 15.415 1.00 1.00 O ATOM 633 CG2 THR A 43 49.217 -6.750 14.120 1.00 1.00 C ATOM 0 H THR A 43 46.747 -6.482 13.339 1.00 1.00 H new ATOM 0 HA THR A 43 46.797 -5.525 16.130 1.00 1.00 H new ATOM 0 HB THR A 43 48.877 -6.517 16.232 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.477 -4.965 15.366 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.268 -7.010 14.243 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.623 -7.661 14.049 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.092 -6.164 13.209 1.00 1.00 H new ATOM 641 N THR A 44 47.441 -4.142 13.197 1.00 1.00 N ATOM 642 CA THR A 44 47.365 -2.889 12.454 1.00 1.00 C ATOM 643 C THR A 44 48.063 -1.770 13.219 1.00 1.00 C ATOM 644 O THR A 44 47.788 -0.591 13.000 1.00 1.00 O ATOM 645 CB THR A 44 45.902 -2.504 12.205 1.00 1.00 C ATOM 646 OG1 THR A 44 45.510 -1.515 13.146 1.00 1.00 O ATOM 647 CG2 THR A 44 45.002 -3.734 12.351 1.00 1.00 C ATOM 0 H THR A 44 47.721 -4.949 12.640 1.00 1.00 H new ATOM 0 HA THR A 44 47.866 -3.031 11.497 1.00 1.00 H new ATOM 0 HB THR A 44 45.803 -2.110 11.193 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.031 -0.698 12.998 1.00 1.00 H new ATOM 0 HG21 THR A 44 43.965 -3.449 12.172 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.301 -4.491 11.626 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.099 -4.138 13.359 1.00 1.00 H new ATOM 655 N GLY A 45 48.969 -2.148 14.115 1.00 1.00 N ATOM 656 CA GLY A 45 49.702 -1.166 14.906 1.00 1.00 C ATOM 657 C GLY A 45 48.895 -0.730 16.123 1.00 1.00 C ATOM 658 O GLY A 45 49.419 -0.083 17.029 1.00 1.00 O ATOM 0 H GLY A 45 49.212 -3.119 14.311 1.00 1.00 H new ATOM 0 HA2 GLY A 45 50.652 -1.591 15.229 1.00 1.00 H new ATOM 0 HA3 GLY A 45 49.934 -0.298 14.289 1.00 1.00 H new ATOM 662 N ASN A 46 47.615 -1.088 16.138 1.00 1.00 N ATOM 663 CA ASN A 46 46.744 -0.727 17.251 1.00 1.00 C ATOM 664 C ASN A 46 46.805 -1.787 18.346 1.00 1.00 C ATOM 665 O ASN A 46 46.096 -1.700 19.348 1.00 1.00 O ATOM 666 CB ASN A 46 45.303 -0.578 16.760 1.00 1.00 C ATOM 667 CG ASN A 46 45.193 0.616 15.820 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.747 0.561 14.641 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 44.585 1.628 16.170 1.00 1.00 N flip ATOM 0 H ASN A 46 47.161 -1.624 15.398 1.00 1.00 H new ATOM 0 HA ASN A 46 47.087 0.222 17.662 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.990 -1.486 16.245 1.00 1.00 H new ATOM 0 HB3 ASN A 46 44.633 -0.446 17.609 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.152 1.669 17.093 1.00 1.00 H new ATOM 0 HD22 ASN A 46 44.514 2.425 15.537 1.00 1.00 H new ATOM 676 N GLY A 47 47.656 -2.789 18.146 1.00 1.00 N ATOM 677 CA GLY A 47 47.803 -3.863 19.122 1.00 1.00 C ATOM 678 C GLY A 47 49.101 -3.715 19.906 1.00 1.00 C ATOM 679 O GLY A 47 49.138 -3.953 21.114 1.00 1.00 O ATOM 0 H GLY A 47 48.251 -2.879 17.322 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.956 -3.854 19.808 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.790 -4.826 18.612 1.00 1.00 H new ATOM 683 N LEU A 48 50.165 -3.323 19.213 1.00 1.00 N ATOM 684 CA LEU A 48 51.461 -3.147 19.856 1.00 1.00 C ATOM 685 C LEU A 48 51.711 -1.674 20.166 1.00 1.00 C ATOM 686 O LEU A 48 52.854 -1.218 20.173 1.00 1.00 O ATOM 687 CB LEU A 48 52.578 -3.674 18.949 1.00 1.00 C ATOM 688 CG LEU A 48 51.992 -4.614 17.891 1.00 1.00 C ATOM 689 CD1 LEU A 48 53.126 -5.205 17.052 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.226 -5.747 18.578 1.00 1.00 C ATOM 0 H LEU A 48 50.156 -3.122 18.213 1.00 1.00 H new ATOM 0 HA LEU A 48 51.457 -3.710 20.789 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.089 -2.841 18.465 1.00 1.00 H new ATOM 0 HB3 LEU A 48 53.323 -4.202 19.544 1.00 1.00 H new ATOM 0 HG LEU A 48 51.313 -4.055 17.247 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.711 -5.874 16.299 1.00 1.00 H new ATOM 0 HD12 LEU A 48 53.673 -4.400 16.561 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.804 -5.762 17.698 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.810 -6.415 17.824 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.904 -6.306 19.223 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.418 -5.328 19.178 1.00 1.00 H new ATOM 702 N VAL A 49 50.636 -0.938 20.423 1.00 1.00 N ATOM 703 CA VAL A 49 50.752 0.483 20.733 1.00 1.00 C ATOM 704 C VAL A 49 49.765 0.875 21.827 1.00 1.00 C ATOM 705 O VAL A 49 50.133 1.527 22.804 1.00 1.00 O ATOM 706 CB VAL A 49 50.483 1.316 19.479 1.00 1.00 C ATOM 707 CG1 VAL A 49 50.528 2.803 19.834 1.00 1.00 C ATOM 708 CG2 VAL A 49 51.552 1.011 18.427 1.00 1.00 C ATOM 0 H VAL A 49 49.681 -1.297 20.423 1.00 1.00 H new ATOM 0 HA VAL A 49 51.765 0.676 21.086 1.00 1.00 H new ATOM 0 HB VAL A 49 49.499 1.067 19.082 1.00 1.00 H new ATOM 0 HG11 VAL A 49 50.336 3.396 18.940 1.00 1.00 H new ATOM 0 HG12 VAL A 49 49.768 3.021 20.584 1.00 1.00 H new ATOM 0 HG13 VAL A 49 51.512 3.053 20.231 1.00 1.00 H new ATOM 0 HG21 VAL A 49 51.362 1.604 17.532 1.00 1.00 H new ATOM 0 HG22 VAL A 49 52.536 1.260 18.825 1.00 1.00 H new ATOM 0 HG23 VAL A 49 51.521 -0.049 18.173 1.00 1.00 H new ATOM 718 N LEU A 50 48.510 0.473 21.656 1.00 1.00 N ATOM 719 CA LEU A 50 47.477 0.787 22.637 1.00 1.00 C ATOM 720 C LEU A 50 47.247 -0.395 23.572 1.00 1.00 C ATOM 721 O LEU A 50 47.511 -0.311 24.772 1.00 1.00 O ATOM 722 CB LEU A 50 46.169 1.138 21.925 1.00 1.00 C ATOM 723 CG LEU A 50 45.097 1.477 22.962 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.410 2.788 22.576 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.060 0.354 23.009 1.00 1.00 C ATOM 0 H LEU A 50 48.185 -0.067 20.854 1.00 1.00 H new ATOM 0 HA LEU A 50 47.811 1.641 23.226 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.323 1.985 21.256 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.842 0.300 21.309 1.00 1.00 H new ATOM 0 HG LEU A 50 45.562 1.585 23.942 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.646 3.030 23.315 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.148 3.589 22.542 1.00 1.00 H new ATOM 0 HD13 LEU A 50 43.946 2.681 21.596 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.296 0.595 23.748 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.596 0.246 22.029 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.548 -0.581 23.284 1.00 1.00 H new ATOM 737 N TRP A 51 46.756 -1.498 23.015 1.00 1.00 N ATOM 738 CA TRP A 51 46.495 -2.692 23.810 1.00 1.00 C ATOM 739 C TRP A 51 47.681 -3.000 24.719 1.00 1.00 C ATOM 740 O TRP A 51 47.548 -3.726 25.704 1.00 1.00 O ATOM 741 CB TRP A 51 46.232 -3.886 22.889 1.00 1.00 C ATOM 742 CG TRP A 51 46.199 -5.141 23.700 1.00 1.00 C ATOM 743 CD1 TRP A 51 47.220 -6.023 23.809 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.114 -5.670 24.515 1.00 1.00 C ATOM 745 NE1 TRP A 51 46.830 -7.059 24.638 1.00 1.00 N ATOM 746 CE2 TRP A 51 45.540 -6.887 25.098 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.813 -5.218 24.801 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.706 -7.628 25.936 1.00 1.00 C ATOM 749 CZ3 TRP A 51 42.970 -5.961 25.643 1.00 1.00 C ATOM 750 CH2 TRP A 51 43.416 -7.164 26.210 1.00 1.00 C ATOM 0 H TRP A 51 46.532 -1.589 22.024 1.00 1.00 H new ATOM 0 HA TRP A 51 45.616 -2.509 24.428 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.285 -3.754 22.365 1.00 1.00 H new ATOM 0 HB3 TRP A 51 47.011 -3.951 22.129 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.182 -5.932 23.327 1.00 1.00 H new ATOM 0 HE1 TRP A 51 47.423 -7.853 24.880 1.00 1.00 H new ATOM 0 HE3 TRP A 51 43.460 -4.293 24.370 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 45.055 -8.554 26.370 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.973 -5.604 25.855 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.764 -7.731 26.857 1.00 1.00 H new ATOM 761 N THR A 52 48.840 -2.442 24.382 1.00 1.00 N ATOM 762 CA THR A 52 50.042 -2.664 25.178 1.00 1.00 C ATOM 763 C THR A 52 50.031 -1.783 26.423 1.00 1.00 C ATOM 764 O THR A 52 51.074 -1.531 27.026 1.00 1.00 O ATOM 765 CB THR A 52 51.286 -2.354 24.341 1.00 1.00 C ATOM 766 OG1 THR A 52 52.449 -2.593 25.122 1.00 1.00 O ATOM 767 CG2 THR A 52 51.256 -0.889 23.903 1.00 1.00 C ATOM 0 H THR A 52 48.972 -1.838 23.571 1.00 1.00 H new ATOM 0 HA THR A 52 50.063 -3.709 25.487 1.00 1.00 H new ATOM 0 HB THR A 52 51.301 -2.994 23.459 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.396 -2.077 25.953 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.142 -0.669 23.307 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.363 -0.706 23.306 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.242 -0.246 24.783 1.00 1.00 H new ATOM 775 N VAL A 53 48.845 -1.319 26.802 1.00 1.00 N ATOM 776 CA VAL A 53 48.709 -0.467 27.978 1.00 1.00 C ATOM 777 C VAL A 53 48.184 -1.272 29.164 1.00 1.00 C ATOM 778 O VAL A 53 48.878 -1.441 30.167 1.00 1.00 O ATOM 779 CB VAL A 53 47.750 0.687 27.680 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.546 1.522 28.944 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.344 1.568 26.578 1.00 1.00 C ATOM 0 H VAL A 53 47.970 -1.516 26.316 1.00 1.00 H new ATOM 0 HA VAL A 53 49.691 -0.067 28.229 1.00 1.00 H new ATOM 0 HB VAL A 53 46.791 0.287 27.352 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.863 2.344 28.731 1.00 1.00 H new ATOM 0 HG12 VAL A 53 47.125 0.895 29.730 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.504 1.923 29.274 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.663 2.391 26.363 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.303 1.967 26.909 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.490 0.974 25.676 1.00 1.00 H new ATOM 791 N PHE A 54 46.957 -1.766 29.040 1.00 1.00 N ATOM 792 CA PHE A 54 46.348 -2.552 30.108 1.00 1.00 C ATOM 793 C PHE A 54 46.792 -4.009 30.018 1.00 1.00 C ATOM 794 O PHE A 54 45.964 -4.915 29.911 1.00 1.00 O ATOM 795 CB PHE A 54 44.825 -2.473 30.010 1.00 1.00 C ATOM 796 CG PHE A 54 44.351 -1.152 30.567 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.355 -0.935 31.950 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.911 -0.145 29.701 1.00 1.00 C ATOM 799 CE1 PHE A 54 43.916 0.292 32.467 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.473 1.081 30.217 1.00 1.00 C ATOM 801 CZ PHE A 54 43.476 1.299 31.601 1.00 1.00 C ATOM 0 H PHE A 54 46.368 -1.638 28.217 1.00 1.00 H new ATOM 0 HA PHE A 54 46.671 -2.144 31.066 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.511 -2.575 28.971 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.371 -3.296 30.562 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.696 -1.712 32.618 1.00 1.00 H new ATOM 0 HD2 PHE A 54 43.909 -0.313 28.634 1.00 1.00 H new ATOM 0 HE1 PHE A 54 43.917 0.460 33.534 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.133 1.858 29.548 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.139 2.244 31.999 1.00 1.00 H new ATOM 811 N ARG A 55 48.102 -4.227 30.060 1.00 1.00 N ATOM 812 CA ARG A 55 48.645 -5.579 29.982 1.00 1.00 C ATOM 813 C ARG A 55 50.083 -5.609 30.488 1.00 1.00 C ATOM 814 O ARG A 55 50.443 -6.446 31.315 1.00 1.00 O ATOM 815 CB ARG A 55 48.603 -6.075 28.534 1.00 1.00 C ATOM 816 CG ARG A 55 48.731 -7.599 28.509 1.00 1.00 C ATOM 817 CD ARG A 55 47.358 -8.243 28.717 1.00 1.00 C ATOM 818 NE ARG A 55 47.485 -9.425 29.559 1.00 1.00 N ATOM 819 CZ ARG A 55 47.785 -10.612 29.042 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.981 -10.735 27.758 1.00 1.00 N ATOM 821 NH2 ARG A 55 47.882 -11.656 29.819 1.00 1.00 N ATOM 0 H ARG A 55 48.803 -3.491 30.147 1.00 1.00 H new ATOM 0 HA ARG A 55 48.037 -6.231 30.609 1.00 1.00 H new ATOM 0 HB2 ARG A 55 47.669 -5.771 28.062 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.412 -5.623 27.961 1.00 1.00 H new ATOM 0 HG2 ARG A 55 49.152 -7.921 27.557 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.418 -7.927 29.289 1.00 1.00 H new ATOM 0 HD2 ARG A 55 46.678 -7.528 29.180 1.00 1.00 H new ATOM 0 HD3 ARG A 55 46.926 -8.517 27.754 1.00 1.00 H new ATOM 0 HE ARG A 55 47.341 -9.340 30.565 1.00 1.00 H new ATOM 0 HH11 ARG A 55 47.904 -9.920 27.150 1.00 1.00 H new ATOM 0 HH12 ARG A 55 48.211 -11.646 27.362 1.00 1.00 H new ATOM 0 HH21 ARG A 55 47.728 -11.561 30.823 1.00 1.00 H new ATOM 0 HH22 ARG A 55 48.112 -12.567 29.423 1.00 1.00 H new ATOM 835 N LYS A 56 50.901 -4.690 29.985 1.00 1.00 N ATOM 836 CA LYS A 56 52.300 -4.621 30.395 1.00 1.00 C ATOM 837 C LYS A 56 52.418 -4.048 31.803 1.00 1.00 C ATOM 838 O LYS A 56 53.412 -4.274 32.494 1.00 1.00 O ATOM 839 CB LYS A 56 53.088 -3.746 29.417 1.00 1.00 C ATOM 840 CG LYS A 56 52.604 -4.010 27.990 1.00 1.00 C ATOM 841 CD LYS A 56 52.673 -5.509 27.694 1.00 1.00 C ATOM 842 CE LYS A 56 52.504 -5.741 26.191 1.00 1.00 C ATOM 843 NZ LYS A 56 53.827 -6.066 25.587 1.00 1.00 N ATOM 0 H LYS A 56 50.623 -3.988 29.299 1.00 1.00 H new ATOM 0 HA LYS A 56 52.711 -5.631 30.391 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.957 -2.693 29.668 1.00 1.00 H new ATOM 0 HB3 LYS A 56 54.153 -3.962 29.497 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.581 -3.652 27.870 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.220 -3.460 27.279 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.628 -5.913 28.030 1.00 1.00 H new ATOM 0 HD3 LYS A 56 51.893 -6.035 28.244 1.00 1.00 H new ATOM 0 HE2 LYS A 56 51.802 -6.556 26.015 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.086 -4.852 25.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 53.713 -6.224 24.565 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 54.484 -5.275 25.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 54.209 -6.926 26.030 1.00 1.00 H new ATOM 857 N LYS A 57 51.399 -3.306 32.222 1.00 1.00 N ATOM 858 CA LYS A 57 51.401 -2.705 33.552 1.00 1.00 C ATOM 859 C LYS A 57 51.227 -3.776 34.624 1.00 1.00 C ATOM 860 O LYS A 57 51.332 -3.495 35.818 1.00 1.00 O ATOM 861 CB LYS A 57 50.269 -1.681 33.663 1.00 1.00 C ATOM 862 CG LYS A 57 48.925 -2.381 33.459 1.00 1.00 C ATOM 863 CD LYS A 57 48.137 -2.366 34.770 1.00 1.00 C ATOM 864 CE LYS A 57 47.708 -0.934 35.094 1.00 1.00 C ATOM 865 NZ LYS A 57 46.225 -0.825 34.990 1.00 1.00 N ATOM 0 H LYS A 57 50.567 -3.107 31.666 1.00 1.00 H new ATOM 0 HA LYS A 57 52.358 -2.207 33.704 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.295 -1.199 34.640 1.00 1.00 H new ATOM 0 HB3 LYS A 57 50.399 -0.897 32.917 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.357 -1.879 32.675 1.00 1.00 H new ATOM 0 HG3 LYS A 57 49.084 -3.408 33.130 1.00 1.00 H new ATOM 0 HD2 LYS A 57 47.261 -3.009 34.687 1.00 1.00 H new ATOM 0 HD3 LYS A 57 48.749 -2.765 35.579 1.00 1.00 H new ATOM 0 HE2 LYS A 57 48.034 -0.664 36.098 1.00 1.00 H new ATOM 0 HE3 LYS A 57 48.184 -0.236 34.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.917 0.092 35.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.941 -0.899 33.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.782 -1.592 35.534 1.00 1.00 H new ATOM 879 N GLY A 58 50.960 -5.003 34.189 1.00 1.00 N ATOM 880 CA GLY A 58 50.773 -6.109 35.121 1.00 1.00 C ATOM 881 C GLY A 58 50.077 -7.282 34.442 1.00 1.00 C ATOM 882 O GLY A 58 48.851 -7.316 34.342 1.00 1.00 O ATOM 0 H GLY A 58 50.869 -5.256 33.205 1.00 1.00 H new ATOM 0 HA2 GLY A 58 51.740 -6.430 35.509 1.00 1.00 H new ATOM 0 HA3 GLY A 58 50.182 -5.775 35.974 1.00 1.00 H new ATOM 886 N HIS A 59 50.867 -8.244 33.974 1.00 1.00 N ATOM 887 CA HIS A 59 50.314 -9.415 33.305 1.00 1.00 C ATOM 888 C HIS A 59 49.188 -10.026 34.133 1.00 1.00 C ATOM 889 O HIS A 59 48.314 -10.709 33.600 1.00 1.00 O ATOM 890 CB HIS A 59 51.412 -10.458 33.085 1.00 1.00 C ATOM 891 CG HIS A 59 51.383 -10.923 31.656 1.00 1.00 C ATOM 892 ND1 HIS A 59 50.869 -12.158 31.290 1.00 1.00 N ATOM 893 CD2 HIS A 59 51.799 -10.331 30.489 1.00 1.00 C ATOM 894 CE1 HIS A 59 50.988 -12.268 29.955 1.00 1.00 C ATOM 895 NE2 HIS A 59 51.549 -11.182 29.417 1.00 1.00 N ATOM 0 H HIS A 59 51.884 -8.236 34.045 1.00 1.00 H new ATOM 0 HA HIS A 59 49.911 -9.102 32.342 1.00 1.00 H new ATOM 0 HB2 HIS A 59 52.387 -10.030 33.320 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.265 -11.304 33.757 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.252 -9.353 30.415 1.00 1.00 H new ATOM 0 HE1 HIS A 59 50.669 -13.129 29.387 1.00 1.00 H new ATOM 0 HE2 HIS A 59 51.751 -11.013 28.432 1.00 1.00 H new ATOM 903 N HIS A 60 49.216 -9.773 35.438 1.00 1.00 N ATOM 904 CA HIS A 60 48.195 -10.303 36.334 1.00 1.00 C ATOM 905 C HIS A 60 47.701 -9.212 37.281 1.00 1.00 C ATOM 906 O HIS A 60 46.522 -8.861 37.276 1.00 1.00 O ATOM 907 CB HIS A 60 48.765 -11.474 37.138 1.00 1.00 C ATOM 908 CG HIS A 60 48.317 -11.374 38.570 1.00 1.00 C ATOM 909 ND1 HIS A 60 48.899 -10.806 39.676 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 47.120 -11.917 39.011 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 48.078 -10.991 40.785 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 47.020 -11.666 40.329 1.00 1.00 N flip ATOM 0 H HIS A 60 49.931 -9.207 35.896 1.00 1.00 H new ATOM 0 HA HIS A 60 47.353 -10.655 35.737 1.00 1.00 H new ATOM 0 HB2 HIS A 60 48.432 -12.419 36.708 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.854 -11.467 37.087 1.00 1.00 H new ATOM 0 HD2 HIS A 60 46.398 -12.446 38.406 1.00 1.00 H new ATOM 0 HE1 HIS A 60 48.258 -10.660 41.797 1.00 1.00 H new ATOM 0 HE2 HIS A 60 46.232 -11.956 40.909 1.00 1.00 H new ATOM 920 N HIS A 61 48.611 -8.676 38.087 1.00 1.00 N ATOM 921 CA HIS A 61 48.261 -7.623 39.032 1.00 1.00 C ATOM 922 C HIS A 61 49.444 -7.302 39.940 1.00 1.00 C ATOM 923 O HIS A 61 49.849 -8.124 40.762 1.00 1.00 O ATOM 924 CB HIS A 61 47.067 -8.057 39.884 1.00 1.00 C ATOM 925 CG HIS A 61 45.837 -7.316 39.439 1.00 1.00 C ATOM 926 ND1 HIS A 61 44.701 -7.734 38.788 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 45.673 -5.956 39.649 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 43.847 -6.651 38.597 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 44.480 -5.606 39.135 1.00 1.00 N flip ATOM 0 H HIS A 61 49.593 -8.952 38.105 1.00 1.00 H new ATOM 0 HA HIS A 61 47.997 -6.729 38.466 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.911 -9.132 39.790 1.00 1.00 H new ATOM 0 HB3 HIS A 61 47.265 -7.855 40.937 1.00 1.00 H new ATOM 0 HD1 HIS A 61 44.512 -8.691 38.490 1.00 1.00 H new ATOM 0 HD2 HIS A 61 46.376 -5.297 40.137 1.00 1.00 H new ATOM 0 HE1 HIS A 61 42.880 -6.655 38.117 1.00 1.00 H new ATOM 937 N HIS A 62 49.995 -6.103 39.784 1.00 1.00 N ATOM 938 CA HIS A 62 51.133 -5.685 40.595 1.00 1.00 C ATOM 939 C HIS A 62 50.669 -4.830 41.770 1.00 1.00 C ATOM 940 O HIS A 62 49.667 -5.137 42.417 1.00 1.00 O ATOM 941 CB HIS A 62 52.120 -4.888 39.739 1.00 1.00 C ATOM 942 CG HIS A 62 51.478 -3.598 39.306 1.00 1.00 C ATOM 943 ND1 HIS A 62 51.828 -2.376 39.859 1.00 1.00 N ATOM 944 CD2 HIS A 62 50.509 -3.323 38.374 1.00 1.00 C ATOM 945 CE1 HIS A 62 51.081 -1.430 39.261 1.00 1.00 C ATOM 946 NE2 HIS A 62 50.259 -1.954 38.348 1.00 1.00 N ATOM 0 H HIS A 62 49.675 -5.408 39.109 1.00 1.00 H new ATOM 0 HA HIS A 62 51.626 -6.577 40.982 1.00 1.00 H new ATOM 0 HB2 HIS A 62 53.027 -4.683 40.307 1.00 1.00 H new ATOM 0 HB3 HIS A 62 52.415 -5.471 38.867 1.00 1.00 H new ATOM 0 HD2 HIS A 62 50.015 -4.057 37.755 1.00 1.00 H new ATOM 0 HE1 HIS A 62 51.139 -0.376 39.491 1.00 1.00 H new ATOM 0 HE2 HIS A 62 49.591 -1.457 37.758 1.00 1.00 H new ATOM 954 N HIS A 63 51.404 -3.756 42.041 1.00 1.00 N ATOM 955 CA HIS A 63 51.058 -2.863 43.141 1.00 1.00 C ATOM 956 C HIS A 63 51.538 -1.444 42.851 1.00 1.00 C ATOM 957 O HIS A 63 52.739 -1.196 42.741 1.00 1.00 O ATOM 958 CB HIS A 63 51.695 -3.363 44.439 1.00 1.00 C ATOM 959 CG HIS A 63 50.746 -4.298 45.136 1.00 1.00 C ATOM 960 ND1 HIS A 63 49.594 -3.850 45.764 1.00 1.00 N ATOM 961 CD2 HIS A 63 50.763 -5.659 45.315 1.00 1.00 C ATOM 962 CE1 HIS A 63 48.972 -4.922 46.286 1.00 1.00 C ATOM 963 NE2 HIS A 63 49.642 -6.051 46.041 1.00 1.00 N ATOM 0 H HIS A 63 52.237 -3.484 41.518 1.00 1.00 H new ATOM 0 HA HIS A 63 49.973 -2.853 43.248 1.00 1.00 H new ATOM 0 HB2 HIS A 63 52.633 -3.874 44.223 1.00 1.00 H new ATOM 0 HB3 HIS A 63 51.934 -2.520 45.088 1.00 1.00 H new ATOM 0 HD2 HIS A 63 51.530 -6.325 44.948 1.00 1.00 H new ATOM 0 HE1 HIS A 63 48.044 -4.876 46.836 1.00 1.00 H new ATOM 0 HE2 HIS A 63 49.387 -6.997 46.325 1.00 1.00 H new ATOM 971 N HIS A 64 50.593 -0.519 42.729 1.00 1.00 N ATOM 972 CA HIS A 64 50.932 0.872 42.452 1.00 1.00 C ATOM 973 C HIS A 64 51.941 1.391 43.471 1.00 1.00 C ATOM 974 O HIS A 64 51.819 1.033 44.631 1.00 1.00 O ATOM 975 CB HIS A 64 49.670 1.736 42.494 1.00 1.00 C ATOM 976 CG HIS A 64 49.614 2.603 41.267 1.00 1.00 C ATOM 977 ND1 HIS A 64 48.428 2.858 40.596 1.00 1.00 N ATOM 978 CD2 HIS A 64 50.588 3.282 40.577 1.00 1.00 C ATOM 979 CE1 HIS A 64 48.716 3.658 39.553 1.00 1.00 C ATOM 980 NE2 HIS A 64 50.019 3.947 39.495 1.00 1.00 N ATOM 981 OXT HIS A 64 52.821 2.138 43.077 1.00 1.00 O ATOM 0 H HIS A 64 49.594 -0.704 42.817 1.00 1.00 H new ATOM 0 HA HIS A 64 51.376 0.927 41.458 1.00 1.00 H new ATOM 0 HB2 HIS A 64 48.784 1.103 42.545 1.00 1.00 H new ATOM 0 HB3 HIS A 64 49.671 2.356 43.390 1.00 1.00 H new ATOM 0 HD2 HIS A 64 51.637 3.298 40.835 1.00 1.00 H new ATOM 0 HE1 HIS A 64 47.983 4.022 38.848 1.00 1.00 H new ATOM 0 HE2 HIS A 64 50.494 4.530 38.806 1.00 1.00 H new TER 989 HIS A 64