USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-9.5!) USER MOD Set 1.2: A 115 HIS : no HD1:sc= 0 X(o=-5.5,f=-5.5) USER MOD Set 2.1: A 33 GLN : amide:sc= -4.51! C(o=-4!,f=-4!) USER MOD Set 2.2: A 124 TYR OH : rot -165:sc= 0.537 USER MOD Single : A 3 TYR OH : rot 2:sc= 0.934 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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 17 MET CE :methyl 154:sc= -0.231 (180deg=-0.828) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2 K(o=-2,f=-5.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0452 K(o=-0.045,f=-0.79) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 43 THR OG1 : rot -82:sc= 0.854 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.87 X(o=-1.9,f=-2) USER MOD Single : A 50 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.26) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -138:sc= -1.4! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.017) USER MOD Single : A 60 ASN : amide:sc= -3.68! C(o=-3.7!,f=-2.4!) USER MOD Single : A 61 SER OG : rot 43:sc= 0.916 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -4.25! C(o=-4.2!,f=-6.7!) USER MOD Single : A 80 ASN : amide:sc= -0.0283 K(o=-0.028,f=-2.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc=-0.00314 X(o=-0.0031,f=-0.19) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.0778 X(o=0.078,f=0) USER MOD Single : A 127 ASN : amide:sc= -0.531 K(o=-0.53,f=0.61) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -4.883 6.458 11.255 1.00 0.00 N ATOM 24 CA VAL A 2 -3.849 5.626 11.845 1.00 0.00 C ATOM 25 C VAL A 2 -4.189 4.153 11.610 1.00 0.00 C ATOM 26 O VAL A 2 -5.296 3.711 11.915 1.00 0.00 O ATOM 27 CB VAL A 2 -3.683 5.971 13.327 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.981 4.839 14.079 1.00 0.00 C ATOM 29 CG2 VAL A 2 -2.933 7.293 13.501 1.00 0.00 C ATOM 0 HA VAL A 2 -2.887 5.818 11.369 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.678 6.091 13.756 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.876 5.110 15.129 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.572 3.927 13.997 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.994 4.672 13.647 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.828 7.515 14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.945 7.213 13.048 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.491 8.094 13.016 1.00 0.00 H new ATOM 39 N TYR A 3 -3.217 3.433 11.068 1.00 0.00 N ATOM 40 CA TYR A 3 -3.400 2.020 10.788 1.00 0.00 C ATOM 41 C TYR A 3 -2.186 1.209 11.246 1.00 0.00 C ATOM 42 O TYR A 3 -1.084 1.389 10.729 1.00 0.00 O ATOM 43 CB TYR A 3 -3.530 1.905 9.268 1.00 0.00 C ATOM 44 CG TYR A 3 -4.935 2.203 8.739 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.338 3.509 8.548 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.800 1.165 8.455 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.660 3.789 8.050 1.00 0.00 C ATOM 48 CE2 TYR A 3 -7.122 1.446 7.958 1.00 0.00 C ATOM 49 CZ TYR A 3 -7.486 2.744 7.781 1.00 0.00 C ATOM 50 OH TYR A 3 -8.735 3.008 7.312 1.00 0.00 O ATOM 0 H TYR A 3 -2.300 3.803 10.816 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.274 1.635 11.313 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.824 2.591 8.800 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.245 0.898 8.964 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.662 4.321 8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.485 0.143 8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.987 4.806 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.809 0.644 7.731 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.847 3.976 7.205 1.00 0.00 H new ATOM 60 N GLU A 4 -2.428 0.334 12.210 1.00 0.00 N ATOM 61 CA GLU A 4 -1.369 -0.505 12.744 1.00 0.00 C ATOM 62 C GLU A 4 -1.539 -1.947 12.258 1.00 0.00 C ATOM 63 O GLU A 4 -2.570 -2.296 11.687 1.00 0.00 O ATOM 64 CB GLU A 4 -1.337 -0.442 14.272 1.00 0.00 C ATOM 65 CG GLU A 4 -2.479 -1.259 14.879 1.00 0.00 C ATOM 66 CD GLU A 4 -3.387 -0.379 15.740 1.00 0.00 C ATOM 67 OE1 GLU A 4 -4.110 0.447 15.141 1.00 0.00 O ATOM 68 OE2 GLU A 4 -3.338 -0.552 16.977 1.00 0.00 O ATOM 0 H GLU A 4 -3.343 0.188 12.636 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.414 -0.128 12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.381 -0.821 14.635 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.414 0.595 14.598 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.063 -1.721 14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.070 -2.068 15.485 1.00 0.00 H new ATOM 75 N ARG A 5 -0.509 -2.745 12.504 1.00 0.00 N ATOM 76 CA ARG A 5 -0.530 -4.140 12.098 1.00 0.00 C ATOM 77 C ARG A 5 -1.921 -4.737 12.326 1.00 0.00 C ATOM 78 O ARG A 5 -2.628 -5.051 11.370 1.00 0.00 O ATOM 79 CB ARG A 5 0.501 -4.956 12.880 1.00 0.00 C ATOM 80 CG ARG A 5 0.743 -4.352 14.265 1.00 0.00 C ATOM 81 CD ARG A 5 2.103 -3.652 14.328 1.00 0.00 C ATOM 82 NE ARG A 5 2.308 -3.068 15.672 1.00 0.00 N ATOM 83 CZ ARG A 5 2.558 -3.788 16.774 1.00 0.00 C ATOM 84 NH1 ARG A 5 2.633 -5.124 16.700 1.00 0.00 N ATOM 85 NH2 ARG A 5 2.732 -3.172 17.951 1.00 0.00 N ATOM 0 H ARG A 5 0.345 -2.452 12.979 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.281 -4.181 11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.154 -5.984 12.983 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.439 -4.991 12.326 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.048 -3.639 14.498 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.698 -5.136 15.021 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.898 -4.363 14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.154 -2.870 13.571 1.00 0.00 H new ATOM 0 HE ARG A 5 2.256 -2.054 15.765 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.500 -5.593 15.804 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.823 -5.671 17.539 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.674 -2.155 18.008 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.922 -3.720 18.790 1.00 0.00 H new ATOM 99 N CYS A 6 -2.270 -4.875 13.596 1.00 0.00 N ATOM 100 CA CYS A 6 -3.563 -5.429 13.960 1.00 0.00 C ATOM 101 C CYS A 6 -4.631 -4.772 13.083 1.00 0.00 C ATOM 102 O CYS A 6 -5.153 -5.398 12.161 1.00 0.00 O ATOM 103 CB CYS A 6 -3.857 -5.245 15.450 1.00 0.00 C ATOM 104 SG CYS A 6 -3.889 -6.795 16.422 1.00 0.00 S ATOM 0 H CYS A 6 -1.680 -4.613 14.386 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.563 -6.505 13.786 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.104 -4.581 15.875 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.820 -4.745 15.557 1.00 0.00 H new ATOM 109 N GLU A 7 -4.926 -3.520 13.401 1.00 0.00 N ATOM 110 CA GLU A 7 -5.922 -2.772 12.652 1.00 0.00 C ATOM 111 C GLU A 7 -5.879 -3.162 11.173 1.00 0.00 C ATOM 112 O GLU A 7 -6.829 -3.746 10.653 1.00 0.00 O ATOM 113 CB GLU A 7 -5.724 -1.265 12.828 1.00 0.00 C ATOM 114 CG GLU A 7 -6.712 -0.698 13.849 1.00 0.00 C ATOM 115 CD GLU A 7 -7.323 0.614 13.350 1.00 0.00 C ATOM 116 OE1 GLU A 7 -6.549 1.425 12.797 1.00 0.00 O ATOM 117 OE2 GLU A 7 -8.548 0.775 13.533 1.00 0.00 O ATOM 0 H GLU A 7 -4.493 -3.005 14.167 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.907 -3.024 13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.703 -1.064 13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.857 -0.763 11.870 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.503 -1.424 14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.203 -0.529 14.798 1.00 0.00 H new ATOM 124 N PHE A 8 -4.767 -2.824 10.538 1.00 0.00 N ATOM 125 CA PHE A 8 -4.587 -3.131 9.129 1.00 0.00 C ATOM 126 C PHE A 8 -5.094 -4.537 8.805 1.00 0.00 C ATOM 127 O PHE A 8 -5.856 -4.724 7.858 1.00 0.00 O ATOM 128 CB PHE A 8 -3.085 -3.066 8.845 1.00 0.00 C ATOM 129 CG PHE A 8 -2.740 -2.701 7.400 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.838 -3.639 6.420 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.336 -1.439 7.094 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.519 -3.301 5.078 1.00 0.00 C ATOM 133 CE2 PHE A 8 -2.016 -1.101 5.754 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.114 -2.040 4.773 1.00 0.00 C ATOM 0 H PHE A 8 -3.981 -2.340 10.973 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.148 -2.422 8.520 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.631 -2.333 9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.639 -4.032 9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.159 -4.641 6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.259 -0.694 7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.598 -4.046 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.695 -0.099 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.870 -1.783 3.753 1.00 0.00 H new ATOM 144 N ALA A 9 -4.652 -5.492 9.612 1.00 0.00 N ATOM 145 CA ALA A 9 -5.051 -6.876 9.423 1.00 0.00 C ATOM 146 C ALA A 9 -6.575 -6.980 9.520 1.00 0.00 C ATOM 147 O ALA A 9 -7.227 -7.469 8.600 1.00 0.00 O ATOM 148 CB ALA A 9 -4.340 -7.757 10.451 1.00 0.00 C ATOM 0 H ALA A 9 -4.021 -5.334 10.398 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.758 -7.229 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.639 -8.795 10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.261 -7.669 10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.612 -7.435 11.456 1.00 0.00 H new ATOM 154 N ARG A 10 -7.097 -6.512 10.644 1.00 0.00 N ATOM 155 CA ARG A 10 -8.532 -6.547 10.873 1.00 0.00 C ATOM 156 C ARG A 10 -9.276 -5.959 9.672 1.00 0.00 C ATOM 157 O ARG A 10 -10.120 -6.625 9.075 1.00 0.00 O ATOM 158 CB ARG A 10 -8.907 -5.761 12.131 1.00 0.00 C ATOM 159 CG ARG A 10 -10.414 -5.829 12.391 1.00 0.00 C ATOM 160 CD ARG A 10 -10.831 -4.826 13.469 1.00 0.00 C ATOM 161 NE ARG A 10 -11.779 -3.840 12.902 1.00 0.00 N ATOM 162 CZ ARG A 10 -11.408 -2.706 12.293 1.00 0.00 C ATOM 163 NH1 ARG A 10 -10.108 -2.406 12.167 1.00 0.00 N ATOM 164 NH2 ARG A 10 -12.337 -1.871 11.810 1.00 0.00 N ATOM 0 H ARG A 10 -6.553 -6.107 11.406 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.821 -7.589 11.009 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.368 -6.162 12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.600 -4.721 12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.955 -5.622 11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.688 -6.837 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.295 -5.350 14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.952 -4.314 13.861 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.777 -4.037 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.400 -3.041 12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.827 -1.542 11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.327 -2.099 11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.055 -1.007 11.346 1.00 0.00 H new ATOM 178 N THR A 11 -8.935 -4.719 9.354 1.00 0.00 N ATOM 179 CA THR A 11 -9.560 -4.035 8.236 1.00 0.00 C ATOM 180 C THR A 11 -9.503 -4.906 6.979 1.00 0.00 C ATOM 181 O THR A 11 -10.529 -5.162 6.350 1.00 0.00 O ATOM 182 CB THR A 11 -8.872 -2.679 8.066 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.342 -1.911 9.171 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.376 -1.916 6.840 1.00 0.00 C ATOM 0 H THR A 11 -8.234 -4.170 9.852 1.00 0.00 H new ATOM 0 HA THR A 11 -10.619 -3.857 8.424 1.00 0.00 H new ATOM 0 HB THR A 11 -7.795 -2.826 7.984 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.944 -1.016 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.855 -0.961 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.185 -2.504 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.447 -1.739 6.937 1.00 0.00 H new ATOM 192 N LEU A 12 -8.294 -5.336 6.650 1.00 0.00 N ATOM 193 CA LEU A 12 -8.090 -6.172 5.479 1.00 0.00 C ATOM 194 C LEU A 12 -9.101 -7.320 5.495 1.00 0.00 C ATOM 195 O LEU A 12 -9.874 -7.483 4.553 1.00 0.00 O ATOM 196 CB LEU A 12 -6.634 -6.637 5.401 1.00 0.00 C ATOM 197 CG LEU A 12 -5.869 -6.235 4.138 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.262 -4.839 4.287 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.814 -7.284 3.778 1.00 0.00 C ATOM 0 H LEU A 12 -7.446 -5.121 7.174 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.269 -5.602 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.101 -6.243 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.615 -7.724 5.483 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.576 -6.192 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.724 -4.577 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.057 -4.113 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.572 -4.830 5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.285 -6.974 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.104 -7.383 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.300 -8.243 3.601 1.00 0.00 H new ATOM 211 N LYS A 13 -9.063 -8.085 6.577 1.00 0.00 N ATOM 212 CA LYS A 13 -9.967 -9.212 6.727 1.00 0.00 C ATOM 213 C LYS A 13 -11.408 -8.702 6.778 1.00 0.00 C ATOM 214 O LYS A 13 -12.344 -9.441 6.474 1.00 0.00 O ATOM 215 CB LYS A 13 -9.570 -10.058 7.939 1.00 0.00 C ATOM 216 CG LYS A 13 -9.543 -11.546 7.583 1.00 0.00 C ATOM 217 CD LYS A 13 -10.956 -12.133 7.561 1.00 0.00 C ATOM 218 CE LYS A 13 -11.045 -13.313 6.592 1.00 0.00 C ATOM 219 NZ LYS A 13 -11.600 -12.876 5.292 1.00 0.00 N ATOM 0 H LYS A 13 -8.421 -7.946 7.357 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.895 -9.876 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.588 -9.748 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.275 -9.888 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.074 -11.681 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.933 -12.085 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.234 -12.459 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.669 -11.363 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.055 -13.745 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.674 -14.094 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.653 -13.689 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.553 -12.484 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.984 -12.146 4.879 1.00 0.00 H new ATOM 233 N ARG A 14 -11.542 -7.442 7.166 1.00 0.00 N ATOM 234 CA ARG A 14 -12.854 -6.824 7.262 1.00 0.00 C ATOM 235 C ARG A 14 -13.336 -6.386 5.877 1.00 0.00 C ATOM 236 O ARG A 14 -14.539 -6.277 5.640 1.00 0.00 O ATOM 237 CB ARG A 14 -12.825 -5.609 8.191 1.00 0.00 C ATOM 238 CG ARG A 14 -14.237 -5.088 8.458 1.00 0.00 C ATOM 239 CD ARG A 14 -14.906 -5.871 9.590 1.00 0.00 C ATOM 240 NE ARG A 14 -15.760 -4.969 10.394 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.610 -5.386 11.342 1.00 0.00 C ATOM 242 NH1 ARG A 14 -16.724 -6.694 11.611 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.345 -4.496 12.022 1.00 0.00 N ATOM 0 H ARG A 14 -10.764 -6.832 7.418 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.540 -7.565 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.349 -5.879 9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.221 -4.819 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.195 -4.030 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.836 -5.170 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.507 -6.681 9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.147 -6.328 10.225 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.698 -3.967 10.215 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.164 -7.372 11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.371 -7.012 12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.258 -3.500 11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.992 -4.814 12.744 1.00 0.00 H new ATOM 257 N ASN A 15 -12.374 -6.148 4.998 1.00 0.00 N ATOM 258 CA ASN A 15 -12.685 -5.725 3.644 1.00 0.00 C ATOM 259 C ASN A 15 -12.858 -6.959 2.755 1.00 0.00 C ATOM 260 O ASN A 15 -13.781 -7.022 1.946 1.00 0.00 O ATOM 261 CB ASN A 15 -11.557 -4.874 3.059 1.00 0.00 C ATOM 262 CG ASN A 15 -12.115 -3.721 2.224 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.534 -2.695 2.737 1.00 0.00 O ATOM 264 ND2 ASN A 15 -12.098 -3.943 0.913 1.00 0.00 N ATOM 0 H ASN A 15 -11.378 -6.240 5.198 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.601 -5.134 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.940 -4.478 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.911 -5.496 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.449 -3.233 0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.734 -4.824 0.550 1.00 0.00 H new ATOM 271 N GLY A 16 -11.952 -7.909 2.936 1.00 0.00 N ATOM 272 CA GLY A 16 -11.991 -9.137 2.161 1.00 0.00 C ATOM 273 C GLY A 16 -10.757 -9.260 1.264 1.00 0.00 C ATOM 274 O GLY A 16 -10.861 -9.682 0.114 1.00 0.00 O ATOM 0 H GLY A 16 -11.187 -7.853 3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.043 -9.994 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.893 -9.156 1.549 1.00 0.00 H new ATOM 278 N MET A 17 -9.618 -8.883 1.827 1.00 0.00 N ATOM 279 CA MET A 17 -8.365 -8.946 1.092 1.00 0.00 C ATOM 280 C MET A 17 -7.356 -9.847 1.806 1.00 0.00 C ATOM 281 O MET A 17 -6.601 -10.572 1.161 1.00 0.00 O ATOM 282 CB MET A 17 -7.784 -7.537 0.953 1.00 0.00 C ATOM 283 CG MET A 17 -6.390 -7.580 0.326 1.00 0.00 C ATOM 284 SD MET A 17 -6.512 -7.997 -1.406 1.00 0.00 S ATOM 285 CE MET A 17 -6.580 -6.360 -2.115 1.00 0.00 C ATOM 0 H MET A 17 -9.536 -8.533 2.782 1.00 0.00 H new ATOM 0 HA MET A 17 -8.564 -9.366 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.445 -6.926 0.338 1.00 0.00 H new ATOM 0 HB3 MET A 17 -7.732 -7.063 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.900 -6.613 0.442 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.772 -8.315 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.203 -6.390 -3.137 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.612 -6.008 -2.119 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.967 -5.681 -1.522 1.00 0.00 H new ATOM 295 N ALA A 18 -7.376 -9.773 3.129 1.00 0.00 N ATOM 296 CA ALA A 18 -6.473 -10.573 3.937 1.00 0.00 C ATOM 297 C ALA A 18 -6.415 -11.995 3.375 1.00 0.00 C ATOM 298 O ALA A 18 -7.350 -12.774 3.553 1.00 0.00 O ATOM 299 CB ALA A 18 -6.929 -10.542 5.398 1.00 0.00 C ATOM 0 H ALA A 18 -8.004 -9.171 3.661 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.464 -10.163 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.251 -11.143 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.924 -9.514 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.938 -10.948 5.473 1.00 0.00 H new ATOM 305 N GLY A 19 -5.308 -12.288 2.708 1.00 0.00 N ATOM 306 CA GLY A 19 -5.117 -13.603 2.118 1.00 0.00 C ATOM 307 C GLY A 19 -5.479 -13.595 0.632 1.00 0.00 C ATOM 308 O GLY A 19 -5.941 -14.602 0.097 1.00 0.00 O ATOM 0 H GLY A 19 -4.535 -11.638 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.080 -13.914 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.733 -14.334 2.642 1.00 0.00 H new ATOM 312 N TYR A 20 -5.257 -12.448 0.007 1.00 0.00 N ATOM 313 CA TYR A 20 -5.554 -12.296 -1.407 1.00 0.00 C ATOM 314 C TYR A 20 -5.070 -13.510 -2.203 1.00 0.00 C ATOM 315 O TYR A 20 -4.421 -14.399 -1.652 1.00 0.00 O ATOM 316 CB TYR A 20 -4.783 -11.058 -1.869 1.00 0.00 C ATOM 317 CG TYR A 20 -5.317 -10.439 -3.163 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.675 -10.255 -3.330 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.442 -10.064 -4.161 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.178 -9.673 -4.547 1.00 0.00 C ATOM 321 CE2 TYR A 20 -4.945 -9.483 -5.378 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.288 -9.315 -5.511 1.00 0.00 C ATOM 323 OH TYR A 20 -6.764 -8.765 -6.661 1.00 0.00 O ATOM 0 H TYR A 20 -4.875 -11.615 0.454 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.628 -12.203 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.814 -10.307 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.736 -11.327 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.360 -10.548 -2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.380 -10.206 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.238 -9.524 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.271 -9.187 -6.168 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.016 -8.558 -7.259 1.00 0.00 H new ATOM 333 N TYR A 21 -5.402 -13.508 -3.484 1.00 0.00 N ATOM 334 CA TYR A 21 -5.010 -14.598 -4.362 1.00 0.00 C ATOM 335 C TYR A 21 -3.627 -15.134 -3.985 1.00 0.00 C ATOM 336 O TYR A 21 -3.356 -16.324 -4.138 1.00 0.00 O ATOM 337 CB TYR A 21 -4.946 -14.004 -5.770 1.00 0.00 C ATOM 338 CG TYR A 21 -6.004 -14.557 -6.727 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.319 -14.151 -6.611 1.00 0.00 C ATOM 340 CD2 TYR A 21 -5.645 -15.461 -7.706 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.315 -14.672 -7.511 1.00 0.00 C ATOM 342 CE2 TYR A 21 -6.642 -15.981 -8.606 1.00 0.00 C ATOM 343 CZ TYR A 21 -7.927 -15.560 -8.464 1.00 0.00 C ATOM 344 OH TYR A 21 -8.868 -16.053 -9.314 1.00 0.00 O ATOM 0 H TYR A 21 -5.939 -12.768 -3.937 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.718 -15.424 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.062 -12.922 -5.703 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.958 -14.193 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.600 -13.443 -5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.617 -15.778 -7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.347 -14.364 -7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.375 -16.689 -9.376 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.447 -16.676 -9.943 1.00 0.00 H new ATOM 354 N GLY A 22 -2.789 -14.230 -3.499 1.00 0.00 N ATOM 355 CA GLY A 22 -1.442 -14.596 -3.099 1.00 0.00 C ATOM 356 C GLY A 22 -0.943 -13.700 -1.963 1.00 0.00 C ATOM 357 O GLY A 22 -0.346 -14.183 -1.003 1.00 0.00 O ATOM 0 H GLY A 22 -3.018 -13.244 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.425 -15.638 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.770 -14.514 -3.953 1.00 0.00 H new ATOM 361 N VAL A 23 -1.207 -12.410 -2.112 1.00 0.00 N ATOM 362 CA VAL A 23 -0.794 -11.441 -1.111 1.00 0.00 C ATOM 363 C VAL A 23 -1.580 -11.679 0.179 1.00 0.00 C ATOM 364 O VAL A 23 -2.798 -11.509 0.209 1.00 0.00 O ATOM 365 CB VAL A 23 -0.957 -10.022 -1.657 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.383 -8.990 -0.684 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.315 -9.890 -3.040 1.00 0.00 C ATOM 0 H VAL A 23 -1.702 -12.013 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 23 0.263 -11.564 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.024 -9.824 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.512 -7.990 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.906 -9.059 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.678 -9.185 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.445 -8.871 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.749 -10.118 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.791 -10.587 -3.730 1.00 0.00 H new ATOM 377 N SER A 24 -0.853 -12.071 1.215 1.00 0.00 N ATOM 378 CA SER A 24 -1.468 -12.335 2.505 1.00 0.00 C ATOM 379 C SER A 24 -1.467 -11.062 3.354 1.00 0.00 C ATOM 380 O SER A 24 -0.648 -10.169 3.142 1.00 0.00 O ATOM 381 CB SER A 24 -0.743 -13.463 3.240 1.00 0.00 C ATOM 382 OG SER A 24 -1.425 -14.708 3.112 1.00 0.00 O ATOM 0 H SER A 24 0.157 -12.212 1.187 1.00 0.00 H new ATOM 0 HA SER A 24 -2.497 -12.651 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.268 -13.561 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.650 -13.207 4.295 1.00 0.00 H new ATOM 0 HG SER A 24 -0.930 -15.403 3.594 1.00 0.00 H new ATOM 388 N LEU A 25 -2.395 -11.019 4.300 1.00 0.00 N ATOM 389 CA LEU A 25 -2.513 -9.870 5.182 1.00 0.00 C ATOM 390 C LEU A 25 -1.164 -9.613 5.859 1.00 0.00 C ATOM 391 O LEU A 25 -0.781 -8.464 6.068 1.00 0.00 O ATOM 392 CB LEU A 25 -3.667 -10.067 6.166 1.00 0.00 C ATOM 393 CG LEU A 25 -3.593 -11.315 7.047 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.917 -10.977 8.504 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.494 -12.425 6.502 1.00 0.00 C ATOM 0 H LEU A 25 -3.072 -11.762 4.475 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.760 -8.975 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.719 -9.192 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.598 -10.101 5.601 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.570 -11.690 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.857 -11.882 9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.201 -10.244 8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.924 -10.564 8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.423 -13.301 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.526 -12.076 6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.176 -12.690 5.494 1.00 0.00 H new ATOM 407 N ALA A 26 -0.484 -10.703 6.183 1.00 0.00 N ATOM 408 CA ALA A 26 0.812 -10.610 6.832 1.00 0.00 C ATOM 409 C ALA A 26 1.748 -9.758 5.973 1.00 0.00 C ATOM 410 O ALA A 26 2.331 -8.789 6.456 1.00 0.00 O ATOM 411 CB ALA A 26 1.364 -12.016 7.076 1.00 0.00 C ATOM 0 H ALA A 26 -0.806 -11.655 6.008 1.00 0.00 H new ATOM 0 HA ALA A 26 0.720 -10.123 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.337 -11.946 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.677 -12.571 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.472 -12.535 6.124 1.00 0.00 H new ATOM 417 N ASP A 27 1.863 -10.151 4.712 1.00 0.00 N ATOM 418 CA ASP A 27 2.718 -9.435 3.780 1.00 0.00 C ATOM 419 C ASP A 27 2.174 -8.019 3.579 1.00 0.00 C ATOM 420 O ASP A 27 2.942 -7.072 3.417 1.00 0.00 O ATOM 421 CB ASP A 27 2.749 -10.128 2.417 1.00 0.00 C ATOM 422 CG ASP A 27 2.526 -11.640 2.456 1.00 0.00 C ATOM 423 OD1 ASP A 27 2.946 -12.251 3.462 1.00 0.00 O ATOM 424 OD2 ASP A 27 1.942 -12.154 1.476 1.00 0.00 O ATOM 0 H ASP A 27 1.378 -10.956 4.314 1.00 0.00 H new ATOM 0 HA ASP A 27 3.725 -9.413 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.986 -9.680 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.712 -9.930 1.947 1.00 0.00 H new ATOM 429 N TRP A 28 0.853 -7.919 3.599 1.00 0.00 N ATOM 430 CA TRP A 28 0.197 -6.635 3.420 1.00 0.00 C ATOM 431 C TRP A 28 0.718 -5.684 4.499 1.00 0.00 C ATOM 432 O TRP A 28 1.191 -4.591 4.192 1.00 0.00 O ATOM 433 CB TRP A 28 -1.325 -6.789 3.443 1.00 0.00 C ATOM 434 CG TRP A 28 -1.931 -7.186 2.096 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.766 -8.201 1.834 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.713 -6.531 0.828 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.102 -8.248 0.496 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.441 -7.199 -0.135 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.928 -5.410 0.507 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.456 -6.823 -1.484 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.953 -5.047 -0.846 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.680 -5.710 -1.827 1.00 0.00 C ATOM 0 H TRP A 28 0.219 -8.706 3.736 1.00 0.00 H new ATOM 0 HA TRP A 28 0.432 -6.215 2.442 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.593 -7.541 4.186 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.770 -5.848 3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.130 -8.895 2.577 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.721 -8.927 0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.352 -4.871 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.035 -7.362 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.366 -4.192 -1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.646 -5.368 -2.851 1.00 0.00 H new ATOM 453 N VAL A 29 0.614 -6.135 5.741 1.00 0.00 N ATOM 454 CA VAL A 29 1.069 -5.337 6.867 1.00 0.00 C ATOM 455 C VAL A 29 2.568 -5.072 6.726 1.00 0.00 C ATOM 456 O VAL A 29 3.003 -3.921 6.745 1.00 0.00 O ATOM 457 CB VAL A 29 0.706 -6.033 8.181 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.280 -5.275 9.380 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.809 -6.201 8.313 1.00 0.00 C ATOM 0 H VAL A 29 0.221 -7.042 5.992 1.00 0.00 H new ATOM 0 HA VAL A 29 0.568 -4.369 6.877 1.00 0.00 H new ATOM 0 HB VAL A 29 1.153 -7.027 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.007 -5.791 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.366 -5.231 9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.876 -4.263 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.039 -6.698 9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.287 -5.221 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.182 -6.803 7.485 1.00 0.00 H new ATOM 469 N CYS A 30 3.319 -6.155 6.586 1.00 0.00 N ATOM 470 CA CYS A 30 4.760 -6.054 6.442 1.00 0.00 C ATOM 471 C CYS A 30 5.062 -5.049 5.329 1.00 0.00 C ATOM 472 O CYS A 30 5.923 -4.184 5.484 1.00 0.00 O ATOM 473 CB CYS A 30 5.399 -7.417 6.168 1.00 0.00 C ATOM 474 SG CYS A 30 5.722 -7.772 4.402 1.00 0.00 S ATOM 0 H CYS A 30 2.955 -7.108 6.569 1.00 0.00 H new ATOM 0 HA CYS A 30 5.197 -5.703 7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.340 -7.478 6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.748 -8.195 6.567 1.00 0.00 H new ATOM 479 N LEU A 31 4.336 -5.196 4.230 1.00 0.00 N ATOM 480 CA LEU A 31 4.515 -4.311 3.090 1.00 0.00 C ATOM 481 C LEU A 31 4.208 -2.873 3.514 1.00 0.00 C ATOM 482 O LEU A 31 5.076 -2.003 3.444 1.00 0.00 O ATOM 483 CB LEU A 31 3.681 -4.793 1.903 1.00 0.00 C ATOM 484 CG LEU A 31 3.403 -3.755 0.812 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.706 -3.264 0.178 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.429 -4.304 -0.231 1.00 0.00 C ATOM 0 H LEU A 31 3.623 -5.914 4.104 1.00 0.00 H new ATOM 0 HA LEU A 31 5.551 -4.330 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.190 -5.642 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.726 -5.159 2.280 1.00 0.00 H new ATOM 0 HG LEU A 31 2.925 -2.892 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.480 -2.528 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.333 -2.807 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.234 -4.107 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.249 -3.547 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.856 -5.193 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.487 -4.564 0.252 1.00 0.00 H new ATOM 498 N ALA A 32 2.972 -2.667 3.945 1.00 0.00 N ATOM 499 CA ALA A 32 2.541 -1.349 4.379 1.00 0.00 C ATOM 500 C ALA A 32 3.501 -0.832 5.452 1.00 0.00 C ATOM 501 O ALA A 32 3.669 0.377 5.608 1.00 0.00 O ATOM 502 CB ALA A 32 1.096 -1.423 4.876 1.00 0.00 C ATOM 0 H ALA A 32 2.256 -3.391 4.003 1.00 0.00 H new ATOM 0 HA ALA A 32 2.564 -0.644 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.772 -0.434 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.451 -1.768 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.034 -2.119 5.713 1.00 0.00 H new ATOM 508 N GLN A 33 4.104 -1.771 6.164 1.00 0.00 N ATOM 509 CA GLN A 33 5.043 -1.425 7.219 1.00 0.00 C ATOM 510 C GLN A 33 6.322 -0.840 6.618 1.00 0.00 C ATOM 511 O GLN A 33 6.740 0.257 6.987 1.00 0.00 O ATOM 512 CB GLN A 33 5.353 -2.639 8.096 1.00 0.00 C ATOM 513 CG GLN A 33 5.888 -2.205 9.463 1.00 0.00 C ATOM 514 CD GLN A 33 4.755 -1.696 10.357 1.00 0.00 C ATOM 515 OE1 GLN A 33 4.057 -2.453 11.010 1.00 0.00 O ATOM 516 NE2 GLN A 33 4.613 -0.373 10.350 1.00 0.00 N ATOM 0 H GLN A 33 3.961 -2.772 6.032 1.00 0.00 H new ATOM 0 HA GLN A 33 4.584 -0.668 7.855 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.451 -3.237 8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.087 -3.274 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.388 -3.045 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.634 -1.421 9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.232 0.203 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.885 0.065 10.915 1.00 0.00 H new ATOM 525 N HIS A 34 6.910 -1.598 5.703 1.00 0.00 N ATOM 526 CA HIS A 34 8.133 -1.167 5.049 1.00 0.00 C ATOM 527 C HIS A 34 7.915 0.201 4.401 1.00 0.00 C ATOM 528 O HIS A 34 8.863 0.966 4.222 1.00 0.00 O ATOM 529 CB HIS A 34 8.617 -2.225 4.054 1.00 0.00 C ATOM 530 CG HIS A 34 10.083 -2.116 3.706 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.980 -3.148 3.916 1.00 0.00 N ATOM 532 CD2 HIS A 34 10.796 -1.089 3.162 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.178 -2.748 3.513 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.061 -1.472 3.046 1.00 0.00 N ATOM 0 H HIS A 34 6.562 -2.507 5.400 1.00 0.00 H new ATOM 0 HA HIS A 34 8.926 -1.056 5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.425 -3.214 4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.030 -2.144 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.398 -0.127 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.087 -3.330 3.548 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.821 -0.905 2.669 1.00 0.00 H new ATOM 543 N GLU A 35 6.662 0.468 4.066 1.00 0.00 N ATOM 544 CA GLU A 35 6.307 1.733 3.442 1.00 0.00 C ATOM 545 C GLU A 35 6.180 2.830 4.501 1.00 0.00 C ATOM 546 O GLU A 35 6.951 3.789 4.503 1.00 0.00 O ATOM 547 CB GLU A 35 5.017 1.600 2.632 1.00 0.00 C ATOM 548 CG GLU A 35 5.174 0.566 1.515 1.00 0.00 C ATOM 549 CD GLU A 35 6.381 0.892 0.632 1.00 0.00 C ATOM 550 OE1 GLU A 35 7.510 0.612 1.090 1.00 0.00 O ATOM 551 OE2 GLU A 35 6.146 1.413 -0.480 1.00 0.00 O ATOM 0 H GLU A 35 5.879 -0.169 4.214 1.00 0.00 H new ATOM 0 HA GLU A 35 7.103 2.013 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.199 1.308 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.752 2.566 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.293 -0.427 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.270 0.542 0.907 1.00 0.00 H new ATOM 558 N SER A 36 5.200 2.654 5.375 1.00 0.00 N ATOM 559 CA SER A 36 4.962 3.617 6.436 1.00 0.00 C ATOM 560 C SER A 36 4.018 3.021 7.482 1.00 0.00 C ATOM 561 O SER A 36 4.419 2.771 8.617 1.00 0.00 O ATOM 562 CB SER A 36 4.383 4.919 5.879 1.00 0.00 C ATOM 563 OG SER A 36 5.139 6.056 6.284 1.00 0.00 O ATOM 0 H SER A 36 4.562 1.859 5.370 1.00 0.00 H new ATOM 0 HA SER A 36 5.917 3.848 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.359 4.869 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.352 5.030 6.216 1.00 0.00 H new ATOM 0 HG SER A 36 4.738 6.867 5.907 1.00 0.00 H new ATOM 569 N ASN A 37 2.779 2.810 7.062 1.00 0.00 N ATOM 570 CA ASN A 37 1.773 2.248 7.948 1.00 0.00 C ATOM 571 C ASN A 37 1.633 3.139 9.184 1.00 0.00 C ATOM 572 O ASN A 37 2.087 4.282 9.184 1.00 0.00 O ATOM 573 CB ASN A 37 2.174 0.848 8.418 1.00 0.00 C ATOM 574 CG ASN A 37 0.943 -0.042 8.603 1.00 0.00 C ATOM 575 OD1 ASN A 37 -0.097 0.161 7.999 1.00 0.00 O ATOM 576 ND2 ASN A 37 1.119 -1.035 9.469 1.00 0.00 N ATOM 0 H ASN A 37 2.449 3.018 6.120 1.00 0.00 H new ATOM 0 HA ASN A 37 0.834 2.189 7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.848 0.396 7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.721 0.919 9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.357 -1.684 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.017 -1.148 9.940 1.00 0.00 H new ATOM 583 N TYR A 38 1.002 2.582 10.207 1.00 0.00 N ATOM 584 CA TYR A 38 0.795 3.312 11.446 1.00 0.00 C ATOM 585 C TYR A 38 -0.083 4.544 11.217 1.00 0.00 C ATOM 586 O TYR A 38 -1.170 4.649 11.783 1.00 0.00 O ATOM 587 CB TYR A 38 2.183 3.768 11.903 1.00 0.00 C ATOM 588 CG TYR A 38 3.092 2.628 12.364 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.661 1.753 13.341 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.344 2.473 11.804 1.00 0.00 C ATOM 591 CE1 TYR A 38 3.517 0.680 13.776 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.200 1.399 12.238 1.00 0.00 C ATOM 593 CZ TYR A 38 4.744 0.556 13.202 1.00 0.00 C ATOM 594 OH TYR A 38 5.552 -0.458 13.612 1.00 0.00 O ATOM 0 H TYR A 38 0.627 1.633 10.203 1.00 0.00 H new ATOM 0 HA TYR A 38 0.297 2.683 12.184 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.669 4.297 11.083 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.069 4.481 12.719 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.681 1.873 13.779 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.682 3.157 11.040 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.192 -0.010 14.540 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.182 1.266 11.807 1.00 0.00 H new ATOM 0 HH TYR A 38 6.396 -0.425 13.115 1.00 0.00 H new ATOM 604 N ASN A 39 0.421 5.445 10.387 1.00 0.00 N ATOM 605 CA ASN A 39 -0.305 6.665 10.076 1.00 0.00 C ATOM 606 C ASN A 39 -0.246 6.918 8.569 1.00 0.00 C ATOM 607 O ASN A 39 0.832 6.922 7.978 1.00 0.00 O ATOM 608 CB ASN A 39 0.319 7.871 10.784 1.00 0.00 C ATOM 609 CG ASN A 39 1.711 7.534 11.318 1.00 0.00 C ATOM 610 OD1 ASN A 39 2.595 7.103 10.596 1.00 0.00 O ATOM 611 ND2 ASN A 39 1.857 7.753 12.623 1.00 0.00 N ATOM 0 H ASN A 39 1.323 5.355 9.920 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.334 6.541 10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.385 8.710 10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.323 8.187 11.606 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.750 7.559 13.076 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.076 8.115 13.170 1.00 0.00 H new ATOM 618 N THR A 40 -1.421 7.123 7.991 1.00 0.00 N ATOM 619 CA THR A 40 -1.517 7.377 6.563 1.00 0.00 C ATOM 620 C THR A 40 -0.939 8.752 6.225 1.00 0.00 C ATOM 621 O THR A 40 -1.626 9.594 5.649 1.00 0.00 O ATOM 622 CB THR A 40 -2.982 7.216 6.153 1.00 0.00 C ATOM 623 OG1 THR A 40 -3.682 8.122 7.001 1.00 0.00 O ATOM 624 CG2 THR A 40 -3.548 5.845 6.524 1.00 0.00 C ATOM 0 H THR A 40 -2.313 7.118 8.485 1.00 0.00 H new ATOM 0 HA THR A 40 -0.924 6.662 5.993 1.00 0.00 H new ATOM 0 HB THR A 40 -3.075 7.367 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.641 8.083 6.801 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.590 5.785 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.973 5.066 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.485 5.705 7.603 1.00 0.00 H new ATOM 632 N ARG A 41 0.319 8.938 6.598 1.00 0.00 N ATOM 633 CA ARG A 41 0.998 10.197 6.342 1.00 0.00 C ATOM 634 C ARG A 41 2.064 10.014 5.260 1.00 0.00 C ATOM 635 O ARG A 41 2.787 10.953 4.932 1.00 0.00 O ATOM 636 CB ARG A 41 1.658 10.735 7.613 1.00 0.00 C ATOM 637 CG ARG A 41 1.995 12.220 7.468 1.00 0.00 C ATOM 638 CD ARG A 41 1.707 12.978 8.766 1.00 0.00 C ATOM 639 NE ARG A 41 2.964 13.198 9.515 1.00 0.00 N ATOM 640 CZ ARG A 41 3.017 13.554 10.805 1.00 0.00 C ATOM 641 NH1 ARG A 41 1.884 13.733 11.498 1.00 0.00 N ATOM 642 NH2 ARG A 41 4.204 13.732 11.403 1.00 0.00 N ATOM 0 H ARG A 41 0.886 8.237 7.076 1.00 0.00 H new ATOM 0 HA ARG A 41 0.251 10.914 6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.991 10.591 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.567 10.171 7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.046 12.334 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.412 12.651 6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.236 13.935 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.004 12.413 9.378 1.00 0.00 H new ATOM 0 HE ARG A 41 3.845 13.071 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.981 13.598 11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.925 14.004 12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.066 13.596 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.245 14.003 12.385 1.00 0.00 H new ATOM 656 N ALA A 42 2.127 8.799 4.735 1.00 0.00 N ATOM 657 CA ALA A 42 3.093 8.482 3.696 1.00 0.00 C ATOM 658 C ALA A 42 2.941 9.477 2.544 1.00 0.00 C ATOM 659 O ALA A 42 2.066 9.318 1.694 1.00 0.00 O ATOM 660 CB ALA A 42 2.898 7.033 3.244 1.00 0.00 C ATOM 0 H ALA A 42 1.525 8.022 5.009 1.00 0.00 H new ATOM 0 HA ALA A 42 4.110 8.571 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.622 6.794 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.044 6.364 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.889 6.907 2.852 1.00 0.00 H new ATOM 666 N THR A 43 3.807 10.480 2.553 1.00 0.00 N ATOM 667 CA THR A 43 3.780 11.501 1.519 1.00 0.00 C ATOM 668 C THR A 43 5.190 12.033 1.259 1.00 0.00 C ATOM 669 O THR A 43 5.860 12.501 2.179 1.00 0.00 O ATOM 670 CB THR A 43 2.791 12.586 1.951 1.00 0.00 C ATOM 671 OG1 THR A 43 3.018 12.726 3.350 1.00 0.00 O ATOM 672 CG2 THR A 43 1.336 12.123 1.855 1.00 0.00 C ATOM 0 H THR A 43 4.531 10.607 3.260 1.00 0.00 H new ATOM 0 HA THR A 43 3.440 11.092 0.568 1.00 0.00 H new ATOM 0 HB THR A 43 2.932 13.472 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.531 12.026 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.676 12.930 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.108 11.852 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.187 11.257 2.500 1.00 0.00 H new ATOM 680 N ASN A 44 5.600 11.944 0.002 1.00 0.00 N ATOM 681 CA ASN A 44 6.918 12.411 -0.390 1.00 0.00 C ATOM 682 C ASN A 44 6.877 12.877 -1.846 1.00 0.00 C ATOM 683 O ASN A 44 6.918 12.060 -2.766 1.00 0.00 O ATOM 684 CB ASN A 44 7.954 11.289 -0.282 1.00 0.00 C ATOM 685 CG ASN A 44 9.139 11.718 0.585 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.059 12.384 0.139 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.065 11.302 1.846 1.00 0.00 N ATOM 0 H ASN A 44 5.042 11.555 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 44 7.199 13.227 0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.489 10.400 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.306 11.018 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.807 11.538 2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.266 10.747 2.154 1.00 0.00 H new ATOM 694 N TYR A 45 6.795 14.189 -2.012 1.00 0.00 N ATOM 695 CA TYR A 45 6.747 14.774 -3.341 1.00 0.00 C ATOM 696 C TYR A 45 8.157 15.055 -3.868 1.00 0.00 C ATOM 697 O TYR A 45 9.088 15.246 -3.087 1.00 0.00 O ATOM 698 CB TYR A 45 5.999 16.100 -3.191 1.00 0.00 C ATOM 699 CG TYR A 45 6.762 17.159 -2.391 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.655 17.995 -3.031 1.00 0.00 C ATOM 701 CD2 TYR A 45 6.557 17.277 -1.032 1.00 0.00 C ATOM 702 CE1 TYR A 45 8.373 18.991 -2.278 1.00 0.00 C ATOM 703 CE2 TYR A 45 7.275 18.273 -0.280 1.00 0.00 C ATOM 704 CZ TYR A 45 8.147 19.081 -0.940 1.00 0.00 C ATOM 705 OH TYR A 45 8.825 20.022 -0.230 1.00 0.00 O ATOM 0 H TYR A 45 6.761 14.864 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 45 6.260 14.096 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.781 16.496 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.042 15.912 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.815 17.902 -4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.858 16.623 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.075 19.652 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.124 18.376 0.784 1.00 0.00 H new ATOM 0 HH TYR A 45 8.563 19.972 0.713 1.00 0.00 H new ATOM 715 N ASN A 46 8.268 15.070 -5.188 1.00 0.00 N ATOM 716 CA ASN A 46 9.548 15.324 -5.827 1.00 0.00 C ATOM 717 C ASN A 46 9.312 15.740 -7.281 1.00 0.00 C ATOM 718 O ASN A 46 8.996 14.904 -8.126 1.00 0.00 O ATOM 719 CB ASN A 46 10.421 14.068 -5.831 1.00 0.00 C ATOM 720 CG ASN A 46 10.936 13.753 -4.426 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.446 12.871 -3.740 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.947 14.523 -4.035 1.00 0.00 N ATOM 0 H ASN A 46 7.493 14.911 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 46 10.053 16.112 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.846 13.223 -6.209 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.264 14.209 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.359 14.393 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.310 15.244 -4.659 1.00 0.00 H new ATOM 729 N ARG A 47 9.476 17.031 -7.527 1.00 0.00 N ATOM 730 CA ARG A 47 9.285 17.569 -8.864 1.00 0.00 C ATOM 731 C ARG A 47 10.492 17.241 -9.745 1.00 0.00 C ATOM 732 O ARG A 47 10.354 17.072 -10.956 1.00 0.00 O ATOM 733 CB ARG A 47 9.089 19.085 -8.825 1.00 0.00 C ATOM 734 CG ARG A 47 8.058 19.531 -9.864 1.00 0.00 C ATOM 735 CD ARG A 47 6.906 20.291 -9.204 1.00 0.00 C ATOM 736 NE ARG A 47 7.268 21.716 -9.036 1.00 0.00 N ATOM 737 CZ ARG A 47 7.249 22.617 -10.028 1.00 0.00 C ATOM 738 NH1 ARG A 47 6.886 22.246 -11.263 1.00 0.00 N ATOM 739 NH2 ARG A 47 7.595 23.888 -9.785 1.00 0.00 N ATOM 0 H ARG A 47 9.739 17.721 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 47 8.389 17.109 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.762 19.388 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.040 19.583 -9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.538 20.166 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.669 18.660 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.007 20.206 -9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.677 19.849 -8.234 1.00 0.00 H new ATOM 0 HE ARG A 47 7.549 22.032 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.624 21.278 -11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.872 22.932 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.873 24.170 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.581 24.574 -10.540 1.00 0.00 H new ATOM 753 N GLY A 48 11.648 17.160 -9.103 1.00 0.00 N ATOM 754 CA GLY A 48 12.879 16.855 -9.813 1.00 0.00 C ATOM 755 C GLY A 48 12.635 15.823 -10.916 1.00 0.00 C ATOM 756 O GLY A 48 13.130 15.972 -12.032 1.00 0.00 O ATOM 0 H GLY A 48 11.758 17.300 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.288 17.767 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.622 16.475 -9.112 1.00 0.00 H new ATOM 760 N ASP A 49 11.871 14.799 -10.566 1.00 0.00 N ATOM 761 CA ASP A 49 11.554 13.743 -11.511 1.00 0.00 C ATOM 762 C ASP A 49 10.035 13.644 -11.669 1.00 0.00 C ATOM 763 O ASP A 49 9.504 12.564 -11.925 1.00 0.00 O ATOM 764 CB ASP A 49 12.067 12.389 -11.017 1.00 0.00 C ATOM 765 CG ASP A 49 12.794 11.550 -12.070 1.00 0.00 C ATOM 766 OD1 ASP A 49 12.335 11.576 -13.233 1.00 0.00 O ATOM 767 OD2 ASP A 49 13.791 10.899 -11.689 1.00 0.00 O ATOM 0 H ASP A 49 11.462 14.678 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 49 12.032 13.986 -12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.743 12.557 -10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.223 11.815 -10.636 1.00 0.00 H new ATOM 772 N GLN A 50 9.380 14.784 -11.509 1.00 0.00 N ATOM 773 CA GLN A 50 7.933 14.839 -11.631 1.00 0.00 C ATOM 774 C GLN A 50 7.304 13.568 -11.058 1.00 0.00 C ATOM 775 O GLN A 50 6.440 12.959 -11.688 1.00 0.00 O ATOM 776 CB GLN A 50 7.513 15.050 -13.087 1.00 0.00 C ATOM 777 CG GLN A 50 6.049 15.488 -13.178 1.00 0.00 C ATOM 778 CD GLN A 50 5.862 16.897 -12.612 1.00 0.00 C ATOM 779 OE1 GLN A 50 6.354 17.878 -13.146 1.00 0.00 O ATOM 780 NE2 GLN A 50 5.126 16.943 -11.505 1.00 0.00 N ATOM 0 H GLN A 50 9.824 15.677 -11.296 1.00 0.00 H new ATOM 0 HA GLN A 50 7.571 15.691 -11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.151 15.804 -13.548 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.655 14.126 -13.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.722 15.464 -14.218 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.421 14.786 -12.630 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.744 16.083 -11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.944 17.838 -11.051 1.00 0.00 H new ATOM 789 N SER A 51 7.760 13.204 -9.868 1.00 0.00 N ATOM 790 CA SER A 51 7.252 12.016 -9.203 1.00 0.00 C ATOM 791 C SER A 51 6.971 12.321 -7.730 1.00 0.00 C ATOM 792 O SER A 51 7.625 13.176 -7.134 1.00 0.00 O ATOM 793 CB SER A 51 8.239 10.853 -9.325 1.00 0.00 C ATOM 794 OG SER A 51 9.323 10.973 -8.408 1.00 0.00 O ATOM 0 H SER A 51 8.476 13.711 -9.347 1.00 0.00 H new ATOM 0 HA SER A 51 6.323 11.722 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.716 9.914 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.628 10.813 -10.342 1.00 0.00 H new ATOM 0 HG SER A 51 9.929 10.211 -8.517 1.00 0.00 H new ATOM 800 N THR A 52 5.998 11.605 -7.186 1.00 0.00 N ATOM 801 CA THR A 52 5.623 11.789 -5.795 1.00 0.00 C ATOM 802 C THR A 52 5.259 10.445 -5.159 1.00 0.00 C ATOM 803 O THR A 52 4.499 9.668 -5.733 1.00 0.00 O ATOM 804 CB THR A 52 4.488 12.813 -5.742 1.00 0.00 C ATOM 805 OG1 THR A 52 5.145 14.068 -5.891 1.00 0.00 O ATOM 806 CG2 THR A 52 3.835 12.894 -4.361 1.00 0.00 C ATOM 0 H THR A 52 5.458 10.897 -7.683 1.00 0.00 H new ATOM 0 HA THR A 52 6.456 12.176 -5.209 1.00 0.00 H new ATOM 0 HB THR A 52 3.733 12.556 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.754 14.718 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.036 13.635 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.421 11.921 -4.097 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.582 13.183 -3.622 1.00 0.00 H new ATOM 814 N ASP A 53 5.820 10.214 -3.980 1.00 0.00 N ATOM 815 CA ASP A 53 5.563 8.978 -3.260 1.00 0.00 C ATOM 816 C ASP A 53 4.576 9.250 -2.124 1.00 0.00 C ATOM 817 O ASP A 53 4.963 9.735 -1.062 1.00 0.00 O ATOM 818 CB ASP A 53 6.850 8.423 -2.645 1.00 0.00 C ATOM 819 CG ASP A 53 7.443 7.213 -3.370 1.00 0.00 C ATOM 820 OD1 ASP A 53 6.656 6.291 -3.673 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.671 7.239 -3.605 1.00 0.00 O ATOM 0 H ASP A 53 6.450 10.861 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 53 5.158 8.254 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.597 9.217 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.650 8.146 -1.610 1.00 0.00 H new ATOM 826 N TYR A 54 3.318 8.925 -2.386 1.00 0.00 N ATOM 827 CA TYR A 54 2.272 9.129 -1.398 1.00 0.00 C ATOM 828 C TYR A 54 1.467 7.846 -1.181 1.00 0.00 C ATOM 829 O TYR A 54 1.460 6.960 -2.034 1.00 0.00 O ATOM 830 CB TYR A 54 1.349 10.203 -1.977 1.00 0.00 C ATOM 831 CG TYR A 54 1.723 11.630 -1.571 1.00 0.00 C ATOM 832 CD1 TYR A 54 2.995 12.105 -1.814 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.787 12.441 -0.962 1.00 0.00 C ATOM 834 CE1 TYR A 54 3.348 13.448 -1.433 1.00 0.00 C ATOM 835 CE2 TYR A 54 1.140 13.785 -0.579 1.00 0.00 C ATOM 836 CZ TYR A 54 2.403 14.222 -0.834 1.00 0.00 C ATOM 837 OH TYR A 54 2.735 15.490 -0.472 1.00 0.00 O ATOM 0 H TYR A 54 3.000 8.522 -3.267 1.00 0.00 H new ATOM 0 HA TYR A 54 2.701 9.419 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.362 10.131 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.327 10.001 -1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.727 11.469 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.209 12.069 -0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.340 13.832 -1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.418 14.430 -0.100 1.00 0.00 H new ATOM 0 HH TYR A 54 1.961 15.925 -0.057 1.00 0.00 H new ATOM 847 N GLY A 55 0.809 7.786 -0.032 1.00 0.00 N ATOM 848 CA GLY A 55 0.003 6.627 0.309 1.00 0.00 C ATOM 849 C GLY A 55 0.741 5.717 1.294 1.00 0.00 C ATOM 850 O GLY A 55 1.967 5.628 1.262 1.00 0.00 O ATOM 0 H GLY A 55 0.818 8.522 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.941 6.952 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.239 6.069 -0.596 1.00 0.00 H new ATOM 854 N ILE A 56 -0.037 5.064 2.144 1.00 0.00 N ATOM 855 CA ILE A 56 0.528 4.164 3.135 1.00 0.00 C ATOM 856 C ILE A 56 1.467 3.174 2.443 1.00 0.00 C ATOM 857 O ILE A 56 2.468 2.755 3.022 1.00 0.00 O ATOM 858 CB ILE A 56 -0.584 3.493 3.944 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.064 3.022 5.304 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.229 2.355 3.151 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.217 2.809 6.288 1.00 0.00 C ATOM 0 H ILE A 56 -1.054 5.140 2.167 1.00 0.00 H new ATOM 0 HA ILE A 56 1.126 4.720 3.857 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.362 4.232 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.492 2.092 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.631 3.759 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.016 1.895 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.657 2.750 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.474 1.607 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.820 2.474 7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.756 3.746 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.897 2.054 5.894 1.00 0.00 H new ATOM 873 N PHE A 57 1.111 2.830 1.214 1.00 0.00 N ATOM 874 CA PHE A 57 1.910 1.898 0.437 1.00 0.00 C ATOM 875 C PHE A 57 2.944 2.638 -0.413 1.00 0.00 C ATOM 876 O PHE A 57 3.451 2.095 -1.393 1.00 0.00 O ATOM 877 CB PHE A 57 0.949 1.148 -0.488 1.00 0.00 C ATOM 878 CG PHE A 57 0.149 0.045 0.208 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.792 -0.899 0.945 1.00 0.00 C ATOM 880 CD2 PHE A 57 -1.205 0.009 0.087 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.050 -1.923 1.591 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.947 -1.016 0.733 1.00 0.00 C ATOM 883 CZ PHE A 57 -1.304 -1.960 1.471 1.00 0.00 C ATOM 0 H PHE A 57 0.280 3.180 0.737 1.00 0.00 H new ATOM 0 HA PHE A 57 2.445 1.221 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.255 1.863 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.518 0.708 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.867 -0.870 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.716 0.759 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.561 -2.672 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.022 -1.045 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.869 -2.739 1.962 1.00 0.00 H new ATOM 893 N GLN A 58 3.226 3.867 -0.007 1.00 0.00 N ATOM 894 CA GLN A 58 4.191 4.688 -0.719 1.00 0.00 C ATOM 895 C GLN A 58 4.049 4.484 -2.229 1.00 0.00 C ATOM 896 O GLN A 58 4.947 3.944 -2.873 1.00 0.00 O ATOM 897 CB GLN A 58 5.618 4.384 -0.257 1.00 0.00 C ATOM 898 CG GLN A 58 6.511 5.620 -0.384 1.00 0.00 C ATOM 899 CD GLN A 58 6.643 6.341 0.959 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.158 5.811 1.930 1.00 0.00 O ATOM 901 NE2 GLN A 58 6.151 7.577 0.960 1.00 0.00 N ATOM 0 H GLN A 58 2.803 4.315 0.806 1.00 0.00 H new ATOM 0 HA GLN A 58 3.986 5.734 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.604 4.046 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.031 3.570 -0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.498 5.325 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.093 6.300 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.733 7.960 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.192 8.141 1.809 1.00 0.00 H new ATOM 910 N ILE A 59 2.914 4.928 -2.750 1.00 0.00 N ATOM 911 CA ILE A 59 2.644 4.801 -4.171 1.00 0.00 C ATOM 912 C ILE A 59 3.176 6.036 -4.900 1.00 0.00 C ATOM 913 O ILE A 59 3.003 7.161 -4.431 1.00 0.00 O ATOM 914 CB ILE A 59 1.156 4.538 -4.412 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.834 3.048 -4.277 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.711 5.099 -5.764 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.647 2.834 -3.956 1.00 0.00 C ATOM 0 H ILE A 59 2.171 5.376 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 59 3.168 3.938 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 59 0.588 5.062 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.087 2.532 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.447 2.610 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.350 4.898 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.883 6.175 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.283 4.624 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.849 1.767 -3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.891 3.331 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.257 3.252 -4.757 1.00 0.00 H new ATOM 929 N ASN A 60 3.811 5.788 -6.036 1.00 0.00 N ATOM 930 CA ASN A 60 4.369 6.866 -6.833 1.00 0.00 C ATOM 931 C ASN A 60 3.258 7.502 -7.671 1.00 0.00 C ATOM 932 O ASN A 60 2.481 6.798 -8.316 1.00 0.00 O ATOM 933 CB ASN A 60 5.443 6.345 -7.790 1.00 0.00 C ATOM 934 CG ASN A 60 5.011 5.027 -8.436 1.00 0.00 C ATOM 935 OD1 ASN A 60 5.225 3.948 -7.908 1.00 0.00 O ATOM 936 ND2 ASN A 60 4.390 5.175 -9.603 1.00 0.00 N ATOM 0 H ASN A 60 3.951 4.855 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 60 4.814 7.593 -6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.636 7.087 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.378 6.199 -7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.060 4.355 -10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.244 6.108 -9.988 1.00 0.00 H new ATOM 943 N SER A 61 3.217 8.825 -7.636 1.00 0.00 N ATOM 944 CA SER A 61 2.214 9.564 -8.384 1.00 0.00 C ATOM 945 C SER A 61 2.742 9.896 -9.781 1.00 0.00 C ATOM 946 O SER A 61 2.179 10.739 -10.478 1.00 0.00 O ATOM 947 CB SER A 61 1.811 10.845 -7.650 1.00 0.00 C ATOM 948 OG SER A 61 0.557 11.347 -8.101 1.00 0.00 O ATOM 0 H SER A 61 3.863 9.405 -7.101 1.00 0.00 H new ATOM 0 HA SER A 61 1.327 8.937 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.759 10.648 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.579 11.604 -7.797 1.00 0.00 H new ATOM 0 HG SER A 61 -0.076 10.605 -8.200 1.00 0.00 H new ATOM 954 N ARG A 62 3.818 9.216 -10.148 1.00 0.00 N ATOM 955 CA ARG A 62 4.429 9.429 -11.450 1.00 0.00 C ATOM 956 C ARG A 62 3.791 8.509 -12.492 1.00 0.00 C ATOM 957 O ARG A 62 3.894 8.759 -13.692 1.00 0.00 O ATOM 958 CB ARG A 62 5.935 9.165 -11.401 1.00 0.00 C ATOM 959 CG ARG A 62 6.691 10.127 -12.319 1.00 0.00 C ATOM 960 CD ARG A 62 7.727 9.381 -13.162 1.00 0.00 C ATOM 961 NE ARG A 62 7.211 9.175 -14.534 1.00 0.00 N ATOM 962 CZ ARG A 62 7.313 10.079 -15.517 1.00 0.00 C ATOM 963 NH1 ARG A 62 7.912 11.255 -15.288 1.00 0.00 N ATOM 964 NH2 ARG A 62 6.815 9.806 -16.732 1.00 0.00 N ATOM 0 H ARG A 62 4.282 8.518 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 62 4.263 10.470 -11.728 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.294 9.276 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.137 8.137 -11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.986 10.640 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.186 10.892 -11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.657 9.949 -13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.957 8.419 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 62 6.749 8.290 -14.744 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.291 11.463 -14.364 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.989 11.943 -16.037 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.359 8.911 -16.907 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.892 10.494 -17.481 1.00 0.00 H new ATOM 978 N TYR A 63 3.145 7.463 -11.996 1.00 0.00 N ATOM 979 CA TYR A 63 2.490 6.505 -12.870 1.00 0.00 C ATOM 980 C TYR A 63 1.087 6.167 -12.359 1.00 0.00 C ATOM 981 O TYR A 63 0.125 6.180 -13.125 1.00 0.00 O ATOM 982 CB TYR A 63 3.352 5.242 -12.833 1.00 0.00 C ATOM 983 CG TYR A 63 4.245 5.061 -14.060 1.00 0.00 C ATOM 984 CD1 TYR A 63 5.258 5.963 -14.317 1.00 0.00 C ATOM 985 CD2 TYR A 63 4.039 3.996 -14.914 1.00 0.00 C ATOM 986 CE1 TYR A 63 6.099 5.793 -15.474 1.00 0.00 C ATOM 987 CE2 TYR A 63 4.879 3.826 -16.070 1.00 0.00 C ATOM 988 CZ TYR A 63 5.867 4.733 -16.293 1.00 0.00 C ATOM 989 OH TYR A 63 6.662 4.571 -17.385 1.00 0.00 O ATOM 0 H TYR A 63 3.062 7.258 -11.000 1.00 0.00 H new ATOM 0 HA TYR A 63 2.387 6.911 -13.876 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.979 5.268 -11.941 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.701 4.373 -12.739 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.420 6.797 -13.650 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.247 3.290 -14.714 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.895 6.491 -15.686 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.728 2.997 -16.745 1.00 0.00 H new ATOM 0 HH TYR A 63 6.382 3.772 -17.878 1.00 0.00 H new ATOM 999 N TRP A 64 1.017 5.873 -11.069 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.251 5.533 -10.447 1.00 0.00 C ATOM 1001 C TRP A 64 -0.847 6.812 -9.858 1.00 0.00 C ATOM 1002 O TRP A 64 -0.131 7.783 -9.621 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.072 4.424 -9.410 1.00 0.00 C ATOM 1004 CG TRP A 64 0.535 3.136 -9.973 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.121 2.422 -11.029 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.688 2.435 -9.463 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.921 1.316 -11.237 1.00 0.00 N ATOM 1008 CE2 TRP A 64 1.904 1.325 -10.254 1.00 0.00 C ATOM 1009 CE3 TRP A 64 2.522 2.728 -8.370 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.950 0.420 -10.036 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 3.563 1.814 -8.165 1.00 0.00 C ATOM 1012 CH2 TRP A 64 3.793 0.692 -8.953 1.00 0.00 C ATOM 0 H TRP A 64 1.818 5.863 -10.438 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.947 5.133 -11.184 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.565 4.792 -8.606 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.042 4.194 -8.969 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.731 2.679 -11.640 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.811 0.621 -11.975 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.372 3.591 -7.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.098 -0.442 -10.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.234 1.993 -7.338 1.00 0.00 H new ATOM 0 HH2 TRP A 64 4.619 0.033 -8.730 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.153 6.771 -9.637 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.854 7.915 -9.080 1.00 0.00 C ATOM 1025 C CYS A 65 -2.515 9.145 -9.925 1.00 0.00 C ATOM 1026 O CYS A 65 -1.723 9.059 -10.862 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.511 8.125 -7.604 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.101 9.249 -7.295 1.00 0.00 S ATOM 0 H CYS A 65 -2.744 5.963 -9.834 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.929 7.737 -9.114 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.390 8.519 -7.094 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.290 7.156 -7.156 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.131 10.261 -9.562 1.00 0.00 N ATOM 1034 CA ASN A 66 -2.903 11.507 -10.275 1.00 0.00 C ATOM 1035 C ASN A 66 -3.115 12.682 -9.319 1.00 0.00 C ATOM 1036 O ASN A 66 -3.235 12.489 -8.110 1.00 0.00 O ATOM 1037 CB ASN A 66 -3.884 11.662 -11.438 1.00 0.00 C ATOM 1038 CG ASN A 66 -3.206 12.318 -12.643 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -2.123 11.940 -13.061 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -3.901 13.317 -13.179 1.00 0.00 N ATOM 0 H ASN A 66 -3.787 10.328 -8.784 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.884 11.494 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.273 10.685 -11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.736 12.265 -11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.534 13.817 -13.989 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.801 13.583 -12.780 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.151 13.874 -9.896 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.346 15.080 -9.110 1.00 0.00 C ATOM 1049 C ASP A 67 -4.477 15.907 -9.725 1.00 0.00 C ATOM 1050 O ASP A 67 -5.399 16.321 -9.024 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.081 15.942 -9.101 1.00 0.00 C ATOM 1052 CG ASP A 67 -2.315 17.431 -8.840 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -3.213 17.731 -8.024 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -1.590 18.236 -9.463 1.00 0.00 O ATOM 0 H ASP A 67 -3.048 14.030 -10.899 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.587 14.782 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.403 15.557 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.577 15.832 -10.061 1.00 0.00 H new ATOM 1059 N GLY A 68 -4.368 16.126 -11.027 1.00 0.00 N ATOM 1060 CA GLY A 68 -5.370 16.895 -11.743 1.00 0.00 C ATOM 1061 C GLY A 68 -4.740 18.107 -12.433 1.00 0.00 C ATOM 1062 O GLY A 68 -5.433 18.881 -13.092 1.00 0.00 O ATOM 0 H GLY A 68 -3.600 15.784 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.858 16.262 -12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.143 17.227 -11.050 1.00 0.00 H new ATOM 1066 N LYS A 69 -3.433 18.234 -12.259 1.00 0.00 N ATOM 1067 CA LYS A 69 -2.702 19.339 -12.857 1.00 0.00 C ATOM 1068 C LYS A 69 -1.306 18.861 -13.261 1.00 0.00 C ATOM 1069 O LYS A 69 -0.336 19.610 -13.161 1.00 0.00 O ATOM 1070 CB LYS A 69 -2.690 20.545 -11.916 1.00 0.00 C ATOM 1071 CG LYS A 69 -3.798 21.536 -12.280 1.00 0.00 C ATOM 1072 CD LYS A 69 -3.986 22.579 -11.176 1.00 0.00 C ATOM 1073 CE LYS A 69 -3.416 23.933 -11.599 1.00 0.00 C ATOM 1074 NZ LYS A 69 -2.042 24.103 -11.078 1.00 0.00 N ATOM 0 H LYS A 69 -2.861 17.590 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.200 19.678 -13.766 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.821 20.209 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.721 21.042 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.551 22.034 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.733 20.999 -12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.046 22.683 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.493 22.242 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.411 24.008 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.054 24.735 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.670 25.028 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.056 24.052 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.433 23.348 -11.453 1.00 0.00 H new ATOM 1088 N THR A 70 -1.249 17.616 -13.710 1.00 0.00 N ATOM 1089 CA THR A 70 0.013 17.029 -14.131 1.00 0.00 C ATOM 1090 C THR A 70 -0.149 16.331 -15.483 1.00 0.00 C ATOM 1091 O THR A 70 -0.344 15.118 -15.541 1.00 0.00 O ATOM 1092 CB THR A 70 0.494 16.095 -13.018 1.00 0.00 C ATOM 1093 OG1 THR A 70 1.626 15.439 -13.582 1.00 0.00 O ATOM 1094 CG2 THR A 70 -0.494 14.959 -12.740 1.00 0.00 C ATOM 0 H THR A 70 -2.056 16.997 -13.792 1.00 0.00 H new ATOM 0 HA THR A 70 0.774 17.794 -14.285 1.00 0.00 H new ATOM 0 HB THR A 70 0.654 16.669 -12.105 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.002 14.815 -12.927 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.105 14.326 -11.943 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.453 15.377 -12.436 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.628 14.364 -13.643 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.057 17.149 -16.566 1.00 0.00 N ATOM 1103 CA PRO A 71 -0.191 16.623 -17.914 1.00 0.00 C ATOM 1104 C PRO A 71 1.071 15.868 -18.335 1.00 0.00 C ATOM 1105 O PRO A 71 1.654 16.159 -19.379 1.00 0.00 O ATOM 1106 CB PRO A 71 -0.474 17.838 -18.783 1.00 0.00 C ATOM 1107 CG PRO A 71 -0.031 19.044 -17.971 1.00 0.00 C ATOM 1108 CD PRO A 71 0.174 18.590 -16.535 1.00 0.00 C ATOM 0 HA PRO A 71 -0.993 15.890 -18.003 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.071 17.780 -19.725 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.533 17.902 -19.031 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.892 19.458 -18.376 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.782 19.833 -18.018 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.180 18.822 -16.186 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.521 19.088 -15.859 1.00 0.00 H new ATOM 1116 N ARG A 72 1.457 14.914 -17.501 1.00 0.00 N ATOM 1117 CA ARG A 72 2.639 14.114 -17.775 1.00 0.00 C ATOM 1118 C ARG A 72 2.488 12.718 -17.168 1.00 0.00 C ATOM 1119 O ARG A 72 2.700 11.715 -17.848 1.00 0.00 O ATOM 1120 CB ARG A 72 3.896 14.777 -17.205 1.00 0.00 C ATOM 1121 CG ARG A 72 5.144 14.331 -17.968 1.00 0.00 C ATOM 1122 CD ARG A 72 6.153 15.475 -18.084 1.00 0.00 C ATOM 1123 NE ARG A 72 7.452 14.958 -18.571 1.00 0.00 N ATOM 1124 CZ ARG A 72 8.412 15.724 -19.108 1.00 0.00 C ATOM 1125 NH1 ARG A 72 8.225 17.044 -19.231 1.00 0.00 N ATOM 1126 NH2 ARG A 72 9.559 15.167 -19.521 1.00 0.00 N ATOM 0 H ARG A 72 0.972 14.677 -16.635 1.00 0.00 H new ATOM 0 HA ARG A 72 2.742 14.034 -18.857 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.798 15.861 -17.263 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.000 14.522 -16.150 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.604 13.486 -17.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.863 13.987 -18.963 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.776 16.235 -18.768 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.284 15.955 -17.114 1.00 0.00 H new ATOM 0 HE ARG A 72 7.627 13.956 -18.493 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.352 17.467 -18.916 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.956 17.627 -19.640 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.701 14.161 -19.427 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.290 15.749 -19.930 1.00 0.00 H new ATOM 1140 N ALA A 73 2.123 12.697 -15.895 1.00 0.00 N ATOM 1141 CA ALA A 73 1.940 11.440 -15.189 1.00 0.00 C ATOM 1142 C ALA A 73 1.022 10.530 -16.006 1.00 0.00 C ATOM 1143 O ALA A 73 0.293 10.999 -16.879 1.00 0.00 O ATOM 1144 CB ALA A 73 1.390 11.716 -13.788 1.00 0.00 C ATOM 0 H ALA A 73 1.949 13.531 -15.334 1.00 0.00 H new ATOM 0 HA ALA A 73 2.893 10.925 -15.070 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.253 10.773 -13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.093 12.342 -13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.432 12.230 -13.868 1.00 0.00 H new ATOM 1150 N VAL A 74 1.087 9.243 -15.695 1.00 0.00 N ATOM 1151 CA VAL A 74 0.270 8.262 -16.390 1.00 0.00 C ATOM 1152 C VAL A 74 -0.624 7.542 -15.379 1.00 0.00 C ATOM 1153 O VAL A 74 -0.681 6.313 -15.361 1.00 0.00 O ATOM 1154 CB VAL A 74 1.162 7.308 -17.187 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.225 6.673 -16.288 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.328 6.237 -17.891 1.00 0.00 C ATOM 0 H VAL A 74 1.693 8.857 -14.971 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.384 8.751 -17.111 1.00 0.00 H new ATOM 0 HB VAL A 74 1.675 7.890 -17.953 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.846 5.999 -16.879 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.849 7.455 -15.854 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.739 6.112 -15.490 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.986 5.572 -18.450 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.225 5.660 -17.149 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.373 6.714 -18.576 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.300 8.336 -14.563 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.189 7.789 -13.553 1.00 0.00 C ATOM 1168 C ASN A 75 -2.902 6.558 -14.118 1.00 0.00 C ATOM 1169 O ASN A 75 -3.863 6.688 -14.875 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.255 8.808 -13.147 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.100 9.228 -14.352 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.735 9.026 -15.499 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.246 9.820 -14.029 1.00 0.00 N ATOM 0 H ASN A 75 -1.250 9.355 -14.581 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.588 7.529 -12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.899 8.380 -12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.777 9.685 -12.710 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.881 10.136 -14.762 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.490 9.958 -13.048 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.403 5.395 -13.728 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.980 4.143 -14.186 1.00 0.00 C ATOM 1182 C ALA A 76 -4.203 3.807 -13.331 1.00 0.00 C ATOM 1183 O ALA A 76 -5.051 3.015 -13.738 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.916 3.044 -14.142 1.00 0.00 C ATOM 0 H ALA A 76 -1.606 5.293 -13.100 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.315 4.230 -15.220 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.349 2.105 -14.486 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.083 3.318 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.557 2.926 -13.120 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.254 4.424 -12.160 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.359 4.200 -11.243 1.00 0.00 C ATOM 1192 C CYS A 77 -6.464 5.207 -11.568 1.00 0.00 C ATOM 1193 O CYS A 77 -7.647 4.907 -11.410 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.911 4.295 -9.783 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.889 3.283 -8.613 1.00 0.00 S ATOM 0 H CYS A 77 -3.548 5.079 -11.825 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.742 3.188 -11.371 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.866 3.992 -9.718 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.961 5.338 -9.469 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.040 6.379 -12.015 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.980 7.432 -12.362 1.00 0.00 C ATOM 1202 C GLY A 78 -7.741 7.918 -11.128 1.00 0.00 C ATOM 1203 O GLY A 78 -8.969 7.986 -11.138 1.00 0.00 O ATOM 0 H GLY A 78 -5.058 6.623 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.445 8.267 -12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.686 7.063 -13.107 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.980 8.241 -10.092 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.568 8.718 -8.852 1.00 0.00 C ATOM 1209 C ILE A 79 -6.578 9.650 -8.149 1.00 0.00 C ATOM 1210 O ILE A 79 -5.369 9.440 -8.214 1.00 0.00 O ATOM 1211 CB ILE A 79 -8.024 7.541 -7.987 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.977 7.206 -6.922 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.369 6.326 -8.852 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.687 6.693 -7.563 1.00 0.00 C ATOM 0 H ILE A 79 -5.962 8.182 -10.086 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.466 9.301 -9.056 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.934 7.834 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.763 8.093 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.374 6.453 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.690 5.504 -8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.173 6.586 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.490 6.022 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.960 6.463 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.900 5.792 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.280 7.458 -8.224 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.131 10.661 -7.494 1.00 0.00 N ATOM 1227 CA ASN A 80 -6.312 11.626 -6.780 1.00 0.00 C ATOM 1228 C ASN A 80 -5.579 10.921 -5.637 1.00 0.00 C ATOM 1229 O ASN A 80 -6.206 10.279 -4.796 1.00 0.00 O ATOM 1230 CB ASN A 80 -7.173 12.737 -6.175 1.00 0.00 C ATOM 1231 CG ASN A 80 -7.949 13.483 -7.262 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -8.721 12.910 -8.014 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -7.704 14.789 -7.304 1.00 0.00 N ATOM 0 H ASN A 80 -8.135 10.832 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.607 12.060 -7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.870 12.310 -5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.540 13.437 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.174 15.374 -7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.046 15.206 -6.645 1.00 0.00 H new ATOM 1240 N CYS A 81 -4.262 11.064 -5.644 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.437 10.449 -4.618 1.00 0.00 C ATOM 1242 C CYS A 81 -4.001 10.838 -3.251 1.00 0.00 C ATOM 1243 O CYS A 81 -3.813 10.119 -2.271 1.00 0.00 O ATOM 1244 CB CYS A 81 -1.966 10.844 -4.764 1.00 0.00 C ATOM 1245 SG CYS A 81 -0.863 9.500 -5.333 1.00 0.00 S ATOM 0 H CYS A 81 -3.746 11.597 -6.344 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.466 9.365 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -1.895 11.675 -5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -1.605 11.208 -3.802 1.00 0.00 H new ATOM 1250 N SER A 82 -4.680 11.975 -3.229 1.00 0.00 N ATOM 1251 CA SER A 82 -5.272 12.469 -1.996 1.00 0.00 C ATOM 1252 C SER A 82 -6.275 11.449 -1.453 1.00 0.00 C ATOM 1253 O SER A 82 -6.434 11.317 -0.240 1.00 0.00 O ATOM 1254 CB SER A 82 -5.957 13.820 -2.218 1.00 0.00 C ATOM 1255 OG SER A 82 -5.605 14.767 -1.212 1.00 0.00 O ATOM 0 H SER A 82 -4.834 12.569 -4.044 1.00 0.00 H new ATOM 0 HA SER A 82 -4.475 12.611 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.680 14.211 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.038 13.682 -2.224 1.00 0.00 H new ATOM 0 HG SER A 82 -6.060 15.617 -1.389 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.924 10.755 -2.375 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.906 9.751 -2.003 1.00 0.00 C ATOM 1263 C ALA A 83 -7.211 8.622 -1.240 1.00 0.00 C ATOM 1264 O ALA A 83 -7.870 7.784 -0.626 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.627 9.251 -3.257 1.00 0.00 C ATOM 0 H ALA A 83 -6.789 10.868 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.661 10.179 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.364 8.498 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.129 10.086 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.902 8.812 -3.943 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.887 8.634 -1.305 1.00 0.00 N ATOM 1272 CA LEU A 84 -5.096 7.621 -0.628 1.00 0.00 C ATOM 1273 C LEU A 84 -4.553 8.195 0.683 1.00 0.00 C ATOM 1274 O LEU A 84 -3.817 7.521 1.401 1.00 0.00 O ATOM 1275 CB LEU A 84 -4.009 7.080 -1.560 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.486 6.558 -2.916 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -3.513 6.952 -4.029 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -4.722 5.047 -2.869 1.00 0.00 C ATOM 0 H LEU A 84 -5.343 9.329 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.717 6.764 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.280 7.872 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.486 6.273 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.443 7.027 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.876 6.568 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.439 8.038 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.530 6.531 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.061 4.701 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.792 4.542 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.481 4.820 -2.121 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.939 9.433 0.954 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.501 10.105 2.165 1.00 0.00 C ATOM 1292 C LEU A 85 -5.712 10.379 3.058 1.00 0.00 C ATOM 1293 O LEU A 85 -5.661 11.242 3.932 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.695 11.359 1.821 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.343 11.502 2.525 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.254 10.723 1.785 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -1.972 12.976 2.703 1.00 0.00 C ATOM 0 H LEU A 85 -5.550 9.988 0.355 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.825 9.465 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.525 11.374 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.301 12.233 2.060 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.429 11.068 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.304 10.842 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.521 9.667 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.160 11.105 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.008 13.050 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.910 13.456 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.734 13.473 3.304 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.774 9.628 2.806 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.997 9.780 3.576 1.00 0.00 C ATOM 1311 C GLN A 86 -8.033 8.764 4.720 1.00 0.00 C ATOM 1312 O GLN A 86 -7.007 8.185 5.073 1.00 0.00 O ATOM 1313 CB GLN A 86 -9.230 9.641 2.681 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.046 10.411 1.372 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.306 11.207 1.023 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.586 12.252 1.585 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -11.047 10.655 0.065 1.00 0.00 N ATOM 0 H GLN A 86 -6.813 8.913 2.080 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.011 10.782 4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.411 8.588 2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.109 10.014 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.196 11.088 1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.816 9.715 0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.754 9.777 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.908 11.110 -0.240 1.00 0.00 H new ATOM 1326 N ASP A 87 -9.225 8.579 5.268 1.00 0.00 N ATOM 1327 CA ASP A 87 -9.408 7.643 6.364 1.00 0.00 C ATOM 1328 C ASP A 87 -9.675 6.247 5.798 1.00 0.00 C ATOM 1329 O ASP A 87 -9.026 5.279 6.192 1.00 0.00 O ATOM 1330 CB ASP A 87 -10.605 8.038 7.231 1.00 0.00 C ATOM 1331 CG ASP A 87 -11.233 6.892 8.027 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.507 5.904 8.268 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -12.426 7.031 8.376 1.00 0.00 O ATOM 0 H ASP A 87 -10.074 9.062 4.973 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.503 7.654 6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.289 8.814 7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.370 8.477 6.590 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.631 6.187 4.882 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.991 4.925 4.259 1.00 0.00 C ATOM 1340 C ASP A 88 -9.893 4.515 3.275 1.00 0.00 C ATOM 1341 O ASP A 88 -9.625 5.226 2.307 1.00 0.00 O ATOM 1342 CB ASP A 88 -12.302 5.050 3.479 1.00 0.00 C ATOM 1343 CG ASP A 88 -13.556 5.195 4.343 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -13.508 4.720 5.497 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -14.535 5.778 3.828 1.00 0.00 O ATOM 0 H ASP A 88 -11.167 6.992 4.557 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.109 4.182 5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.233 5.913 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.415 4.171 2.845 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.288 3.371 3.555 1.00 0.00 N ATOM 1351 CA ILE A 89 -8.225 2.859 2.708 1.00 0.00 C ATOM 1352 C ILE A 89 -8.840 2.133 1.509 1.00 0.00 C ATOM 1353 O ILE A 89 -8.122 1.572 0.682 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.260 1.994 3.521 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.934 0.697 3.973 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.681 2.779 4.699 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.893 -0.357 4.356 1.00 0.00 C ATOM 0 H ILE A 89 -9.514 2.783 4.358 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.625 3.679 2.313 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.425 1.716 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.584 0.898 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.567 0.314 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.998 2.141 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.141 3.649 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.491 3.107 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.398 -1.269 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.261 -0.574 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.277 0.020 5.173 1.00 0.00 H new ATOM 1369 N THR A 90 -10.164 2.166 1.453 1.00 0.00 N ATOM 1370 CA THR A 90 -10.884 1.518 0.370 1.00 0.00 C ATOM 1371 C THR A 90 -10.198 1.800 -0.968 1.00 0.00 C ATOM 1372 O THR A 90 -10.089 0.911 -1.813 1.00 0.00 O ATOM 1373 CB THR A 90 -12.338 1.992 0.419 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.992 1.209 -0.576 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.502 3.431 -0.071 1.00 0.00 C ATOM 0 H THR A 90 -10.757 2.632 2.140 1.00 0.00 H new ATOM 0 HA THR A 90 -10.877 0.434 0.482 1.00 0.00 H new ATOM 0 HB THR A 90 -12.711 1.912 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.941 1.451 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.552 3.717 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.911 4.098 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.160 3.505 -1.103 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.755 3.039 -1.122 1.00 0.00 N ATOM 1384 CA ALA A 91 -9.083 3.448 -2.343 1.00 0.00 C ATOM 1385 C ALA A 91 -7.684 2.830 -2.383 1.00 0.00 C ATOM 1386 O ALA A 91 -7.210 2.426 -3.443 1.00 0.00 O ATOM 1387 CB ALA A 91 -9.049 4.976 -2.420 1.00 0.00 C ATOM 0 H ALA A 91 -9.849 3.774 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.626 3.090 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.545 5.283 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.068 5.363 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.510 5.372 -1.559 1.00 0.00 H new ATOM 1393 N ALA A 92 -7.063 2.778 -1.213 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.728 2.216 -1.101 1.00 0.00 C ATOM 1395 C ALA A 92 -5.764 0.740 -1.505 1.00 0.00 C ATOM 1396 O ALA A 92 -4.847 0.251 -2.165 1.00 0.00 O ATOM 1397 CB ALA A 92 -5.207 2.417 0.324 1.00 0.00 C ATOM 0 H ALA A 92 -7.459 3.115 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.040 2.726 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.205 1.995 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.173 3.482 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.872 1.917 1.028 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.831 0.073 -1.093 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.998 -1.337 -1.404 1.00 0.00 C ATOM 1405 C ILE A 93 -7.368 -1.488 -2.881 1.00 0.00 C ATOM 1406 O ILE A 93 -6.736 -2.254 -3.607 1.00 0.00 O ATOM 1407 CB ILE A 93 -8.006 -1.980 -0.449 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.695 -1.613 1.004 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -8.068 -3.495 -0.657 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.643 -2.333 1.965 1.00 0.00 C ATOM 0 H ILE A 93 -7.589 0.482 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.062 -1.875 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.995 -1.583 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.664 -1.878 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.785 -0.535 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.792 -3.928 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.371 -3.709 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.085 -3.928 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.401 -2.055 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.671 -2.047 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.533 -3.411 1.845 1.00 0.00 H new ATOM 1422 N GLN A 94 -8.390 -0.746 -3.281 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.851 -0.789 -4.659 1.00 0.00 C ATOM 1424 C GLN A 94 -7.700 -0.469 -5.614 1.00 0.00 C ATOM 1425 O GLN A 94 -7.539 -1.127 -6.641 1.00 0.00 O ATOM 1426 CB GLN A 94 -10.024 0.169 -4.873 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.828 -0.219 -6.117 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.737 0.929 -6.562 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.332 1.834 -7.273 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.983 0.841 -6.107 1.00 0.00 N ATOM 0 H GLN A 94 -8.912 -0.112 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.204 -1.798 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.673 0.156 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.652 1.188 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.148 -0.484 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.430 -1.103 -5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -13.256 0.056 -5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.666 1.558 -6.349 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.927 0.541 -5.242 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.796 0.956 -6.053 1.00 0.00 C ATOM 1441 C CYS A 95 -4.692 -0.094 -5.910 1.00 0.00 C ATOM 1442 O CYS A 95 -4.067 -0.481 -6.896 1.00 0.00 O ATOM 1443 CB CYS A 95 -5.307 2.354 -5.669 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.508 3.287 -7.025 1.00 0.00 S ATOM 0 H CYS A 95 -7.062 1.084 -4.389 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.099 1.023 -7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.155 2.931 -5.300 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.600 2.263 -4.844 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.486 -0.525 -4.674 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.468 -1.522 -4.390 1.00 0.00 C ATOM 1451 C ALA A 96 -3.684 -2.737 -5.293 1.00 0.00 C ATOM 1452 O ALA A 96 -2.724 -3.318 -5.799 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.511 -1.885 -2.904 1.00 0.00 C ATOM 0 H ALA A 96 -5.007 -0.202 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.474 -1.127 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.748 -2.633 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.323 -0.993 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.493 -2.288 -2.656 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.950 -3.086 -5.470 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.304 -4.222 -6.304 1.00 0.00 C ATOM 1461 C LYS A 97 -5.210 -3.816 -7.776 1.00 0.00 C ATOM 1462 O LYS A 97 -4.674 -4.561 -8.596 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.674 -4.773 -5.905 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.773 -3.735 -6.138 1.00 0.00 C ATOM 1465 CD LYS A 97 -9.161 -4.368 -6.015 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.549 -5.091 -7.307 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.600 -6.099 -7.039 1.00 0.00 N ATOM 0 H LYS A 97 -5.743 -2.602 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.600 -5.040 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.890 -5.672 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.661 -5.064 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.673 -2.926 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.657 -3.294 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.171 -5.072 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.898 -3.597 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.907 -4.370 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.673 -5.576 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.853 -6.581 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.245 -6.797 -6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.441 -5.628 -6.649 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.738 -2.637 -8.068 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.720 -2.124 -9.426 1.00 0.00 C ATOM 1483 C ARG A 98 -4.281 -1.997 -9.927 1.00 0.00 C ATOM 1484 O ARG A 98 -4.029 -2.062 -11.130 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.404 -0.757 -9.508 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.557 -0.307 -10.962 1.00 0.00 C ATOM 1487 CD ARG A 98 -8.003 -0.470 -11.436 1.00 0.00 C ATOM 1488 NE ARG A 98 -8.089 -0.218 -12.892 1.00 0.00 N ATOM 1489 CZ ARG A 98 -7.715 -1.097 -13.831 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -7.224 -2.291 -13.472 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -7.829 -0.782 -15.128 1.00 0.00 N ATOM 0 H ARG A 98 -6.181 -2.022 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.266 -2.829 -10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.384 -0.808 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.821 -0.021 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.254 0.736 -11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.893 -0.891 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.357 -1.476 -11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.651 0.223 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.456 0.682 -13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.135 -2.530 -12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.939 -2.961 -14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.201 0.128 -15.401 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.544 -1.452 -15.842 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.371 -1.820 -8.980 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.963 -1.685 -9.311 1.00 0.00 C ATOM 1507 C VAL A 99 -1.310 -3.068 -9.318 1.00 0.00 C ATOM 1508 O VAL A 99 -0.717 -3.472 -10.316 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.290 -0.710 -8.341 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.234 -0.778 -8.466 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.795 0.717 -8.559 1.00 0.00 C ATOM 0 H VAL A 99 -3.582 -1.767 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.843 -1.265 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.557 -1.008 -7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.688 -0.076 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.573 -1.788 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.528 -0.518 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.301 1.389 -7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.572 1.030 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.872 0.751 -8.396 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.440 -3.755 -8.193 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.871 -5.084 -8.057 1.00 0.00 C ATOM 1523 C VAL A 100 -1.336 -5.956 -9.225 1.00 0.00 C ATOM 1524 O VAL A 100 -0.638 -6.884 -9.628 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.232 -5.672 -6.692 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -1.183 -7.201 -6.722 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.320 -5.115 -5.596 1.00 0.00 C ATOM 0 H VAL A 100 -1.932 -3.415 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 100 0.217 -5.038 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.255 -5.375 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.444 -7.593 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.893 -7.573 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.178 -7.528 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.598 -5.549 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.716 -5.367 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.428 -4.031 -5.549 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.514 -5.626 -9.735 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.081 -6.367 -10.849 1.00 0.00 C ATOM 1539 C ARG A 101 -2.018 -6.608 -11.922 1.00 0.00 C ATOM 1540 O ARG A 101 -2.133 -7.541 -12.716 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.260 -5.613 -11.469 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.359 -6.581 -11.908 1.00 0.00 C ATOM 1543 CD ARG A 101 -6.744 -6.038 -11.551 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.794 -6.889 -12.154 1.00 0.00 N ATOM 1545 CZ ARG A 101 -8.041 -6.957 -13.469 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -7.316 -6.225 -14.326 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -9.014 -7.756 -13.928 1.00 0.00 N ATOM 0 H ARG A 101 -3.091 -4.856 -9.397 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.437 -7.323 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.663 -4.903 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.916 -5.035 -12.326 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.295 -6.745 -12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.209 -7.548 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.864 -6.011 -10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.845 -5.013 -11.909 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.365 -7.459 -11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.576 -5.616 -13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.504 -6.277 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.567 -8.313 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.202 -7.807 -14.929 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.008 -5.751 -11.913 1.00 0.00 N ATOM 1562 CA ASP A 102 0.075 -5.859 -12.876 1.00 0.00 C ATOM 1563 C ASP A 102 0.876 -7.132 -12.595 1.00 0.00 C ATOM 1564 O ASP A 102 0.598 -7.844 -11.633 1.00 0.00 O ATOM 1565 CB ASP A 102 1.028 -4.667 -12.770 1.00 0.00 C ATOM 1566 CG ASP A 102 1.123 -3.801 -14.027 1.00 0.00 C ATOM 1567 OD1 ASP A 102 0.156 -3.840 -14.818 1.00 0.00 O ATOM 1568 OD2 ASP A 102 2.160 -3.118 -14.169 1.00 0.00 O ATOM 0 H ASP A 102 -0.917 -4.978 -11.254 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.362 -5.882 -13.874 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.709 -4.039 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.024 -5.038 -12.526 1.00 0.00 H new ATOM 1573 N PRO A 103 1.880 -7.385 -13.476 1.00 0.00 N ATOM 1574 CA PRO A 103 2.724 -8.559 -13.333 1.00 0.00 C ATOM 1575 C PRO A 103 3.725 -8.379 -12.190 1.00 0.00 C ATOM 1576 O PRO A 103 4.170 -9.355 -11.590 1.00 0.00 O ATOM 1577 CB PRO A 103 3.393 -8.731 -14.686 1.00 0.00 C ATOM 1578 CG PRO A 103 3.261 -7.390 -15.390 1.00 0.00 C ATOM 1579 CD PRO A 103 2.239 -6.563 -14.628 1.00 0.00 C ATOM 0 HA PRO A 103 2.159 -9.452 -13.067 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.440 -9.010 -14.571 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.913 -9.523 -15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.222 -6.877 -15.418 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.944 -7.531 -16.423 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.657 -5.606 -14.316 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.368 -6.344 -15.245 1.00 0.00 H new ATOM 1587 N GLN A 104 4.051 -7.121 -11.924 1.00 0.00 N ATOM 1588 CA GLN A 104 4.991 -6.800 -10.864 1.00 0.00 C ATOM 1589 C GLN A 104 4.257 -6.650 -9.530 1.00 0.00 C ATOM 1590 O GLN A 104 4.491 -7.419 -8.599 1.00 0.00 O ATOM 1591 CB GLN A 104 5.783 -5.535 -11.199 1.00 0.00 C ATOM 1592 CG GLN A 104 6.453 -5.653 -12.569 1.00 0.00 C ATOM 1593 CD GLN A 104 7.953 -5.916 -12.426 1.00 0.00 C ATOM 1594 OE1 GLN A 104 8.394 -7.022 -12.161 1.00 0.00 O ATOM 1595 NE2 GLN A 104 8.711 -4.840 -12.616 1.00 0.00 N ATOM 0 H GLN A 104 3.680 -6.313 -12.425 1.00 0.00 H new ATOM 0 HA GLN A 104 5.702 -7.622 -10.774 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.117 -4.672 -11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.540 -5.363 -10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.991 -6.462 -13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.294 -4.736 -13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.278 -3.943 -12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.726 -4.912 -12.543 1.00 0.00 H new ATOM 1604 N GLY A 105 3.384 -5.655 -9.480 1.00 0.00 N ATOM 1605 CA GLY A 105 2.613 -5.395 -8.276 1.00 0.00 C ATOM 1606 C GLY A 105 3.510 -5.413 -7.037 1.00 0.00 C ATOM 1607 O GLY A 105 4.408 -4.584 -6.904 1.00 0.00 O ATOM 0 H GLY A 105 3.193 -5.019 -10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.119 -4.427 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.829 -6.145 -8.173 1.00 0.00 H new ATOM 1611 N ILE A 106 3.236 -6.368 -6.160 1.00 0.00 N ATOM 1612 CA ILE A 106 4.007 -6.506 -4.937 1.00 0.00 C ATOM 1613 C ILE A 106 5.495 -6.346 -5.256 1.00 0.00 C ATOM 1614 O ILE A 106 6.223 -5.685 -4.517 1.00 0.00 O ATOM 1615 CB ILE A 106 3.667 -7.822 -4.234 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.322 -7.726 -3.511 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.795 -8.248 -3.292 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.297 -6.531 -2.556 1.00 0.00 C ATOM 0 H ILE A 106 2.490 -7.054 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 106 3.745 -5.718 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 106 3.570 -8.599 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.519 -7.629 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.138 -8.645 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.528 -9.186 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.714 -8.384 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.948 -7.478 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.330 -6.486 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.086 -6.643 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.457 -5.612 -3.119 1.00 0.00 H new ATOM 1630 N ARG A 107 5.901 -6.961 -6.356 1.00 0.00 N ATOM 1631 CA ARG A 107 7.288 -6.895 -6.783 1.00 0.00 C ATOM 1632 C ARG A 107 7.797 -5.453 -6.711 1.00 0.00 C ATOM 1633 O ARG A 107 8.975 -5.220 -6.448 1.00 0.00 O ATOM 1634 CB ARG A 107 7.452 -7.416 -8.211 1.00 0.00 C ATOM 1635 CG ARG A 107 8.819 -8.075 -8.402 1.00 0.00 C ATOM 1636 CD ARG A 107 8.740 -9.218 -9.416 1.00 0.00 C ATOM 1637 NE ARG A 107 8.582 -10.510 -8.710 1.00 0.00 N ATOM 1638 CZ ARG A 107 9.602 -11.233 -8.232 1.00 0.00 C ATOM 1639 NH1 ARG A 107 10.861 -10.798 -8.379 1.00 0.00 N ATOM 1640 NH2 ARG A 107 9.364 -12.394 -7.605 1.00 0.00 N ATOM 0 H ARG A 107 5.293 -7.508 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 107 7.871 -7.525 -6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.664 -8.136 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.339 -6.593 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.541 -7.332 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.180 -8.456 -7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 107 7.900 -9.058 -10.092 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.642 -9.236 -10.027 1.00 0.00 H new ATOM 0 HE ARG A 107 7.637 -10.871 -8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.043 -9.915 -8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.637 -11.350 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.406 -12.726 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.141 -12.945 -7.241 1.00 0.00 H new ATOM 1654 N ALA A 108 6.883 -4.525 -6.950 1.00 0.00 N ATOM 1655 CA ALA A 108 7.224 -3.113 -6.917 1.00 0.00 C ATOM 1656 C ALA A 108 7.887 -2.784 -5.577 1.00 0.00 C ATOM 1657 O ALA A 108 8.775 -1.936 -5.512 1.00 0.00 O ATOM 1658 CB ALA A 108 5.968 -2.277 -7.166 1.00 0.00 C ATOM 0 H ALA A 108 5.906 -4.723 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 108 7.937 -2.873 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.225 -1.218 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.552 -2.527 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.230 -2.490 -6.392 1.00 0.00 H new ATOM 1664 N TRP A 109 7.429 -3.474 -4.542 1.00 0.00 N ATOM 1665 CA TRP A 109 7.967 -3.267 -3.208 1.00 0.00 C ATOM 1666 C TRP A 109 8.990 -4.370 -2.934 1.00 0.00 C ATOM 1667 O TRP A 109 8.811 -5.176 -2.022 1.00 0.00 O ATOM 1668 CB TRP A 109 6.847 -3.218 -2.169 1.00 0.00 C ATOM 1669 CG TRP A 109 5.889 -2.037 -2.338 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.148 -0.734 -2.163 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.501 -2.104 -2.727 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.032 0.040 -2.409 1.00 0.00 N ATOM 1673 CE2 TRP A 109 3.999 -0.819 -2.763 1.00 0.00 C ATOM 1674 CE3 TRP A 109 3.696 -3.214 -3.037 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.675 -0.523 -3.106 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.374 -2.901 -3.377 1.00 0.00 C ATOM 1677 CH2 TRP A 109 1.854 -1.613 -3.419 1.00 0.00 C ATOM 0 H TRP A 109 6.692 -4.176 -4.601 1.00 0.00 H new ATOM 0 HA TRP A 109 8.470 -2.303 -3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.276 -4.145 -2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.290 -3.173 -1.174 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.109 -0.339 -1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 109 4.976 1.056 -2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.068 -4.228 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.306 0.492 -3.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 1.712 -3.718 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.821 -1.454 -3.692 1.00 0.00 H new ATOM 1688 N VAL A 110 10.042 -4.370 -3.740 1.00 0.00 N ATOM 1689 CA VAL A 110 11.095 -5.362 -3.595 1.00 0.00 C ATOM 1690 C VAL A 110 11.353 -5.613 -2.108 1.00 0.00 C ATOM 1691 O VAL A 110 11.640 -6.739 -1.705 1.00 0.00 O ATOM 1692 CB VAL A 110 12.347 -4.910 -4.352 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.003 -3.714 -3.658 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.337 -6.064 -4.510 1.00 0.00 C ATOM 0 H VAL A 110 10.188 -3.700 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 110 10.789 -6.311 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 110 12.042 -4.593 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.890 -3.412 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.298 -2.884 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.289 -3.994 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.217 -5.717 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.635 -6.425 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.866 -6.874 -5.066 1.00 0.00 H new ATOM 1704 N ALA A 111 11.241 -4.543 -1.333 1.00 0.00 N ATOM 1705 CA ALA A 111 11.458 -4.634 0.101 1.00 0.00 C ATOM 1706 C ALA A 111 10.851 -5.938 0.623 1.00 0.00 C ATOM 1707 O ALA A 111 11.526 -6.712 1.300 1.00 0.00 O ATOM 1708 CB ALA A 111 10.867 -3.400 0.785 1.00 0.00 C ATOM 0 H ALA A 111 11.003 -3.610 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 111 12.524 -4.654 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.029 -3.468 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.353 -2.503 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.797 -3.349 0.582 1.00 0.00 H new ATOM 1714 N TRP A 112 9.586 -6.139 0.289 1.00 0.00 N ATOM 1715 CA TRP A 112 8.880 -7.336 0.717 1.00 0.00 C ATOM 1716 C TRP A 112 9.769 -8.544 0.408 1.00 0.00 C ATOM 1717 O TRP A 112 10.141 -9.291 1.310 1.00 0.00 O ATOM 1718 CB TRP A 112 7.502 -7.424 0.059 1.00 0.00 C ATOM 1719 CG TRP A 112 6.821 -8.785 0.221 1.00 0.00 C ATOM 1720 CD1 TRP A 112 7.365 -9.935 0.642 1.00 0.00 C ATOM 1721 CD2 TRP A 112 5.438 -9.092 -0.055 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.438 -10.958 0.658 1.00 0.00 N ATOM 1723 CE2 TRP A 112 5.229 -10.429 0.221 1.00 0.00 C ATOM 1724 CE3 TRP A 112 4.398 -8.269 -0.521 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 3.989 -11.060 0.061 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 3.166 -8.915 -0.676 1.00 0.00 C ATOM 1727 CH2 TRP A 112 2.939 -10.258 -0.402 1.00 0.00 C ATOM 0 H TRP A 112 9.031 -5.494 -0.273 1.00 0.00 H new ATOM 0 HA TRP A 112 8.689 -7.309 1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.858 -6.654 0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.603 -7.204 -1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 112 8.399 -10.048 0.932 1.00 0.00 H new ATOM 0 HE1 TRP A 112 6.609 -11.924 0.939 1.00 0.00 H new ATOM 0 HE3 TRP A 112 4.538 -7.221 -0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 3.850 -12.108 0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 2.333 -8.328 -1.034 1.00 0.00 H new ATOM 0 HH2 TRP A 112 1.956 -10.682 -0.546 1.00 0.00 H new ATOM 1738 N ARG A 113 10.082 -8.696 -0.871 1.00 0.00 N ATOM 1739 CA ARG A 113 10.919 -9.800 -1.309 1.00 0.00 C ATOM 1740 C ARG A 113 12.202 -9.856 -0.478 1.00 0.00 C ATOM 1741 O ARG A 113 12.883 -10.880 -0.450 1.00 0.00 O ATOM 1742 CB ARG A 113 11.283 -9.660 -2.789 1.00 0.00 C ATOM 1743 CG ARG A 113 11.804 -10.984 -3.352 1.00 0.00 C ATOM 1744 CD ARG A 113 13.160 -10.792 -4.036 1.00 0.00 C ATOM 1745 NE ARG A 113 13.808 -12.106 -4.252 1.00 0.00 N ATOM 1746 CZ ARG A 113 14.913 -12.286 -4.987 1.00 0.00 C ATOM 1747 NH1 ARG A 113 15.500 -11.239 -5.582 1.00 0.00 N ATOM 1748 NH2 ARG A 113 15.432 -13.513 -5.128 1.00 0.00 N ATOM 0 H ARG A 113 9.771 -8.074 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 113 10.353 -10.721 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.408 -9.340 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.041 -8.886 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.898 -11.714 -2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.086 -11.388 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.027 -10.282 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.800 -10.158 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 113 13.386 -12.925 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.105 -10.305 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.342 -11.376 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.986 -14.311 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.274 -13.650 -5.688 1.00 0.00 H new ATOM 1762 N ALA A 114 12.493 -8.743 0.179 1.00 0.00 N ATOM 1763 CA ALA A 114 13.682 -8.652 1.009 1.00 0.00 C ATOM 1764 C ALA A 114 13.287 -8.169 2.406 1.00 0.00 C ATOM 1765 O ALA A 114 14.042 -7.442 3.050 1.00 0.00 O ATOM 1766 CB ALA A 114 14.703 -7.731 0.340 1.00 0.00 C ATOM 0 H ALA A 114 11.925 -7.896 0.153 1.00 0.00 H new ATOM 0 HA ALA A 114 14.150 -9.630 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.595 -7.663 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.972 -8.134 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.271 -6.738 0.216 1.00 0.00 H new ATOM 1772 N HIS A 115 12.107 -8.592 2.834 1.00 0.00 N ATOM 1773 CA HIS A 115 11.605 -8.212 4.142 1.00 0.00 C ATOM 1774 C HIS A 115 10.686 -9.312 4.679 1.00 0.00 C ATOM 1775 O HIS A 115 10.904 -9.829 5.773 1.00 0.00 O ATOM 1776 CB HIS A 115 10.921 -6.844 4.086 1.00 0.00 C ATOM 1777 CG HIS A 115 10.932 -6.097 5.398 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.085 -5.564 5.947 1.00 0.00 N ATOM 1779 CD2 HIS A 115 9.920 -5.801 6.262 1.00 0.00 C ATOM 1780 CE1 HIS A 115 11.769 -4.975 7.091 1.00 0.00 C ATOM 1781 NE2 HIS A 115 10.427 -5.122 7.285 1.00 0.00 N ATOM 0 H HIS A 115 11.484 -9.195 2.297 1.00 0.00 H new ATOM 0 HA HIS A 115 12.437 -8.109 4.838 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.413 -6.234 3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.888 -6.979 3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 115 8.882 -6.072 6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.454 -4.467 7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 115 9.900 -4.769 8.084 1.00 0.00 H new ATOM 1790 N CYS A 116 9.678 -9.636 3.883 1.00 0.00 N ATOM 1791 CA CYS A 116 8.725 -10.664 4.264 1.00 0.00 C ATOM 1792 C CYS A 116 9.270 -12.018 3.804 1.00 0.00 C ATOM 1793 O CYS A 116 9.360 -12.956 4.596 1.00 0.00 O ATOM 1794 CB CYS A 116 7.332 -10.386 3.693 1.00 0.00 C ATOM 1795 SG CYS A 116 6.079 -9.892 4.931 1.00 0.00 S ATOM 0 H CYS A 116 9.501 -9.205 2.976 1.00 0.00 H new ATOM 0 HA CYS A 116 8.607 -10.669 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.412 -9.598 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 116 6.981 -11.280 3.178 1.00 0.00 H new ATOM 1800 N GLN A 117 9.619 -12.078 2.528 1.00 0.00 N ATOM 1801 CA GLN A 117 10.153 -13.301 1.954 1.00 0.00 C ATOM 1802 C GLN A 117 11.546 -13.587 2.517 1.00 0.00 C ATOM 1803 O GLN A 117 12.511 -13.706 1.763 1.00 0.00 O ATOM 1804 CB GLN A 117 10.183 -13.222 0.426 1.00 0.00 C ATOM 1805 CG GLN A 117 9.163 -14.179 -0.193 1.00 0.00 C ATOM 1806 CD GLN A 117 8.746 -13.708 -1.588 1.00 0.00 C ATOM 1807 OE1 GLN A 117 8.348 -12.574 -1.795 1.00 0.00 O ATOM 1808 NE2 GLN A 117 8.858 -14.640 -2.530 1.00 0.00 N ATOM 0 H GLN A 117 9.542 -11.299 1.875 1.00 0.00 H new ATOM 0 HA GLN A 117 9.496 -14.126 2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.970 -12.202 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.182 -13.467 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 117 9.590 -15.180 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.285 -14.246 0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.198 -15.571 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.603 -14.424 -3.494 1.00 0.00 H new ATOM 1817 N ASN A 118 11.607 -13.690 3.836 1.00 0.00 N ATOM 1818 CA ASN A 118 12.867 -13.960 4.508 1.00 0.00 C ATOM 1819 C ASN A 118 12.597 -14.751 5.789 1.00 0.00 C ATOM 1820 O ASN A 118 13.220 -15.784 6.029 1.00 0.00 O ATOM 1821 CB ASN A 118 13.575 -12.659 4.895 1.00 0.00 C ATOM 1822 CG ASN A 118 15.095 -12.832 4.863 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.722 -12.845 3.816 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.649 -12.966 6.064 1.00 0.00 N ATOM 0 H ASN A 118 10.804 -13.591 4.458 1.00 0.00 H new ATOM 0 HA ASN A 118 13.500 -14.525 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.281 -11.863 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.261 -12.353 5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.658 -13.089 6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.065 -12.946 6.900 1.00 0.00 H new ATOM 1831 N ARG A 119 11.668 -14.234 6.580 1.00 0.00 N ATOM 1832 CA ARG A 119 11.307 -14.879 7.831 1.00 0.00 C ATOM 1833 C ARG A 119 9.794 -15.091 7.903 1.00 0.00 C ATOM 1834 O ARG A 119 9.088 -14.894 6.915 1.00 0.00 O ATOM 1835 CB ARG A 119 11.756 -14.042 9.032 1.00 0.00 C ATOM 1836 CG ARG A 119 12.173 -14.938 10.200 1.00 0.00 C ATOM 1837 CD ARG A 119 13.490 -14.460 10.814 1.00 0.00 C ATOM 1838 NE ARG A 119 13.826 -15.284 11.997 1.00 0.00 N ATOM 1839 CZ ARG A 119 14.313 -16.530 11.930 1.00 0.00 C ATOM 1840 NH1 ARG A 119 14.526 -17.104 10.739 1.00 0.00 N ATOM 1841 NH2 ARG A 119 14.589 -17.203 13.057 1.00 0.00 N ATOM 0 H ARG A 119 11.155 -13.376 6.379 1.00 0.00 H new ATOM 0 HA ARG A 119 11.814 -15.843 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.591 -13.403 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.945 -13.384 9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.392 -14.938 10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.281 -15.966 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 119 14.290 -14.525 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 119 13.407 -13.412 11.102 1.00 0.00 H new ATOM 0 HE ARG A 119 13.677 -14.878 12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 119 14.317 -16.592 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 119 14.897 -18.053 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.428 -16.766 13.964 1.00 0.00 H new ATOM 0 HH22 ARG A 119 14.960 -18.152 13.007 1.00 0.00 H new ATOM 1855 N ASP A 120 9.340 -15.491 9.083 1.00 0.00 N ATOM 1856 CA ASP A 120 7.923 -15.731 9.295 1.00 0.00 C ATOM 1857 C ASP A 120 7.262 -14.446 9.798 1.00 0.00 C ATOM 1858 O ASP A 120 7.411 -14.081 10.962 1.00 0.00 O ATOM 1859 CB ASP A 120 7.701 -16.820 10.348 1.00 0.00 C ATOM 1860 CG ASP A 120 6.262 -17.325 10.463 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.586 -17.357 9.411 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.869 -17.668 11.598 1.00 0.00 O ATOM 0 H ASP A 120 9.928 -15.654 9.900 1.00 0.00 H new ATOM 0 HA ASP A 120 7.489 -16.051 8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.349 -17.665 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.013 -16.435 11.319 1.00 0.00 H new ATOM 1867 N LEU A 121 6.544 -13.796 8.894 1.00 0.00 N ATOM 1868 CA LEU A 121 5.858 -12.559 9.231 1.00 0.00 C ATOM 1869 C LEU A 121 4.457 -12.884 9.751 1.00 0.00 C ATOM 1870 O LEU A 121 3.613 -11.997 9.865 1.00 0.00 O ATOM 1871 CB LEU A 121 5.865 -11.601 8.038 1.00 0.00 C ATOM 1872 CG LEU A 121 5.592 -10.130 8.357 1.00 0.00 C ATOM 1873 CD1 LEU A 121 4.094 -9.879 8.547 1.00 0.00 C ATOM 1874 CD2 LEU A 121 6.407 -9.671 9.568 1.00 0.00 C ATOM 0 H LEU A 121 6.422 -14.102 7.929 1.00 0.00 H new ATOM 0 HA LEU A 121 6.382 -12.038 10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.835 -11.672 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.119 -11.941 7.320 1.00 0.00 H new ATOM 0 HG LEU A 121 5.914 -9.531 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.927 -8.826 8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.562 -10.143 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.724 -10.490 9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.194 -8.622 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.138 -10.272 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.470 -9.791 9.358 1.00 0.00 H new ATOM 1886 N SER A 122 4.253 -14.157 10.054 1.00 0.00 N ATOM 1887 CA SER A 122 2.968 -14.609 10.560 1.00 0.00 C ATOM 1888 C SER A 122 2.847 -14.279 12.049 1.00 0.00 C ATOM 1889 O SER A 122 1.749 -14.293 12.605 1.00 0.00 O ATOM 1890 CB SER A 122 2.784 -16.111 10.333 1.00 0.00 C ATOM 1891 OG SER A 122 1.414 -16.496 10.396 1.00 0.00 O ATOM 0 H SER A 122 4.956 -14.890 9.959 1.00 0.00 H new ATOM 0 HA SER A 122 2.182 -14.087 10.013 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.193 -16.383 9.360 1.00 0.00 H new ATOM 0 HB3 SER A 122 3.351 -16.663 11.083 1.00 0.00 H new ATOM 0 HG SER A 122 1.338 -17.461 10.245 1.00 0.00 H new ATOM 1897 N GLN A 123 3.990 -13.989 12.654 1.00 0.00 N ATOM 1898 CA GLN A 123 4.025 -13.657 14.068 1.00 0.00 C ATOM 1899 C GLN A 123 3.580 -12.208 14.282 1.00 0.00 C ATOM 1900 O GLN A 123 3.314 -11.798 15.412 1.00 0.00 O ATOM 1901 CB GLN A 123 5.419 -13.893 14.652 1.00 0.00 C ATOM 1902 CG GLN A 123 5.401 -13.777 16.178 1.00 0.00 C ATOM 1903 CD GLN A 123 6.501 -12.835 16.669 1.00 0.00 C ATOM 1904 OE1 GLN A 123 7.639 -13.223 16.881 1.00 0.00 O ATOM 1905 NE2 GLN A 123 6.101 -11.578 16.838 1.00 0.00 N ATOM 0 H GLN A 123 4.899 -13.977 12.190 1.00 0.00 H new ATOM 0 HA GLN A 123 3.331 -14.313 14.594 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.776 -14.882 14.363 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.119 -13.168 14.237 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.429 -13.409 16.507 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.536 -14.763 16.623 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.134 -11.320 16.642 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.761 -10.872 17.163 1.00 0.00 H new ATOM 1914 N TYR A 124 3.510 -11.473 13.183 1.00 0.00 N ATOM 1915 CA TYR A 124 3.101 -10.081 13.237 1.00 0.00 C ATOM 1916 C TYR A 124 1.577 -9.958 13.289 1.00 0.00 C ATOM 1917 O TYR A 124 1.043 -9.103 13.993 1.00 0.00 O ATOM 1918 CB TYR A 124 3.608 -9.442 11.942 1.00 0.00 C ATOM 1919 CG TYR A 124 4.194 -8.041 12.128 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.098 -7.799 13.143 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.818 -7.018 11.281 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.649 -6.480 13.318 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.370 -5.698 11.457 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.257 -5.495 12.466 1.00 0.00 C ATOM 1925 OH TYR A 124 5.778 -4.249 12.631 1.00 0.00 O ATOM 0 H TYR A 124 3.730 -11.816 12.248 1.00 0.00 H new ATOM 0 HA TYR A 124 3.503 -9.598 14.128 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.369 -10.088 11.504 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.786 -9.389 11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.392 -8.599 13.806 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.111 -7.206 10.487 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.357 -6.278 14.108 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.085 -4.888 10.801 1.00 0.00 H new ATOM 0 HH TYR A 124 5.246 -3.602 12.122 1.00 0.00 H new ATOM 1935 N ILE A 125 0.920 -10.826 12.534 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.533 -10.826 12.485 1.00 0.00 C ATOM 1937 C ILE A 125 -1.076 -11.733 13.591 1.00 0.00 C ATOM 1938 O ILE A 125 -2.084 -11.414 14.220 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.021 -11.203 11.085 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.330 -12.474 10.586 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.848 -10.036 10.111 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.158 -13.157 9.496 1.00 0.00 C ATOM 0 H ILE A 125 1.367 -11.534 11.951 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.921 -9.825 12.674 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.088 -11.419 11.142 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.657 -12.226 10.196 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.180 -13.162 11.418 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.203 -10.331 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.424 -9.180 10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.206 -9.765 10.052 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.644 -14.057 9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.136 -13.425 9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.285 -12.476 8.655 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.383 -12.844 13.794 1.00 0.00 N ATOM 1955 CA ARG A 126 -0.784 -13.799 14.814 1.00 0.00 C ATOM 1956 C ARG A 126 -0.701 -13.160 16.201 1.00 0.00 C ATOM 1957 O ARG A 126 0.379 -13.070 16.784 1.00 0.00 O ATOM 1958 CB ARG A 126 0.103 -15.046 14.780 1.00 0.00 C ATOM 1959 CG ARG A 126 -0.393 -16.098 15.773 1.00 0.00 C ATOM 1960 CD ARG A 126 -1.137 -17.224 15.053 1.00 0.00 C ATOM 1961 NE ARG A 126 -1.325 -18.373 15.968 1.00 0.00 N ATOM 1962 CZ ARG A 126 -2.274 -19.306 15.816 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -3.127 -19.234 14.784 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -2.371 -20.313 16.695 1.00 0.00 N ATOM 0 H ARG A 126 0.453 -13.104 13.270 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.813 -14.093 14.607 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.109 -15.465 13.774 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.131 -14.772 15.018 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.452 -16.510 16.324 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.053 -15.631 16.504 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.105 -16.866 14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.575 -17.537 14.173 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.692 -18.459 16.764 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.053 -18.468 14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.849 -19.945 14.669 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.722 -20.369 17.480 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.094 -21.023 16.579 1.00 0.00 H new ATOM 1978 N ASN A 127 -1.855 -12.732 16.692 1.00 0.00 N ATOM 1979 CA ASN A 127 -1.927 -12.104 18.000 1.00 0.00 C ATOM 1980 C ASN A 127 -3.235 -11.321 18.114 1.00 0.00 C ATOM 1981 O ASN A 127 -3.756 -11.131 19.212 1.00 0.00 O ATOM 1982 CB ASN A 127 -0.770 -11.125 18.205 1.00 0.00 C ATOM 1983 CG ASN A 127 0.160 -11.600 19.323 1.00 0.00 C ATOM 1984 OD1 ASN A 127 1.172 -12.241 19.094 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -0.239 -11.251 20.543 1.00 0.00 N ATOM 0 H ASN A 127 -2.749 -12.808 16.206 1.00 0.00 H new ATOM 0 HA ASN A 127 -1.873 -12.889 18.754 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -0.207 -11.023 17.277 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.163 -10.138 18.449 1.00 0.00 H new ATOM 0 HD21 ASN A 127 0.313 -11.521 21.357 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -1.097 -10.714 20.665 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.730 -10.885 16.964 1.00 0.00 N ATOM 1993 CA CYS A 128 -4.968 -10.126 16.921 1.00 0.00 C ATOM 1994 C CYS A 128 -6.130 -11.088 17.177 1.00 0.00 C ATOM 1995 O CYS A 128 -7.197 -10.672 17.627 1.00 0.00 O ATOM 1996 CB CYS A 128 -5.127 -9.379 15.595 1.00 0.00 C ATOM 1997 SG CYS A 128 -5.697 -7.647 15.754 1.00 0.00 S ATOM 0 H CYS A 128 -3.295 -11.043 16.055 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.955 -9.359 17.696 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.170 -9.385 15.073 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.834 -9.924 14.970 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.884 -12.355 16.879 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.897 -13.380 17.072 1.00 0.00 C ATOM 2004 C GLY A 129 -7.572 -13.739 15.746 1.00 0.00 C ATOM 2005 O GLY A 129 -8.733 -14.145 15.727 1.00 0.00 O ATOM 0 H GLY A 129 -4.998 -12.696 16.505 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -6.441 -14.270 17.505 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -7.645 -13.028 17.782 1.00 0.00 H new ATOM 2009 N VAL A 130 -6.814 -13.579 14.671 1.00 0.00 N ATOM 2010 CA VAL A 130 -7.324 -13.882 13.346 1.00 0.00 C ATOM 2011 C VAL A 130 -7.040 -15.348 13.018 1.00 0.00 C ATOM 2012 O VAL A 130 -7.948 -16.094 12.650 1.00 0.00 O ATOM 2013 CB VAL A 130 -6.728 -12.914 12.321 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -5.523 -13.538 11.614 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -7.785 -12.465 11.310 1.00 0.00 C ATOM 0 H VAL A 130 -5.851 -13.244 14.691 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.405 -13.745 13.313 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.382 -12.030 12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -5.118 -12.830 10.891 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -4.757 -13.784 12.349 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -5.834 -14.446 11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -7.335 -11.778 10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.176 -13.335 10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -8.598 -11.962 11.833 1.00 0.00 H new