USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 576 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 86 MET CE :methyl -127:sc= -4.02 (180deg=-7.35!) USER MOD Set 2.2: A 90 TYR OH : rot 164:sc= 0.981 USER MOD Set 3.1: A 4 ASN : amide:sc= 0.139 K(o=-2.2,f=-10!) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -3.16! C(o=-2.2!,f=-8.8!) USER MOD Set 3.3: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 89 ASN : amide:sc= 0.774 K(o=-2.2,f=-8.2!) USER MOD Set 4.1: A 65 ASN : amide:sc= 0.76 X(o=1.4,f=1.8) USER MOD Set 4.2: A 71 THR OG1 : rot 130:sc= 0.688 USER MOD Single : A 7 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.091!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.843 K(o=0.84,f=-8.3!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.5!) USER MOD Single : A 33 THR OG1 : rot 60:sc= -0.325 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.41 F(o=-4.8!,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.12) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.141 K(o=-0.14,f=-4.4!) USER MOD Single : A 45 ASN : amide:sc= -4.76! C(o=-4.8!,f=-7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -0.23 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 42:sc= 0.0848 USER MOD Single : A 73 SER OG : rot 140:sc= -0.42 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00504 K(o=-0.005,f=-0.91) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -90:sc= -0.682 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4.1!) USER MOD Single : A 95 SER OG : rot -170:sc= -0.359 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.600 -3.895 -1.339 1.00 0.00 N ATOM 34 CA CYS A 3 10.576 -4.689 -0.681 1.00 0.00 C ATOM 35 C CYS A 3 9.825 -5.574 -1.678 1.00 0.00 C ATOM 36 O CYS A 3 9.954 -6.799 -1.635 1.00 0.00 O ATOM 37 CB CYS A 3 9.616 -3.770 0.066 1.00 0.00 C ATOM 38 SG CYS A 3 10.420 -2.737 1.333 1.00 0.00 S ATOM 0 HA CYS A 3 11.060 -5.354 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.115 -3.122 -0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.844 -4.376 0.541 1.00 0.00 H new ATOM 42 N ASN A 4 9.052 -4.951 -2.575 1.00 0.00 N ATOM 43 CA ASN A 4 8.288 -5.680 -3.594 1.00 0.00 C ATOM 44 C ASN A 4 7.358 -6.719 -2.973 1.00 0.00 C ATOM 45 O ASN A 4 7.651 -7.911 -2.986 1.00 0.00 O ATOM 46 CB ASN A 4 9.236 -6.355 -4.598 1.00 0.00 C ATOM 47 CG ASN A 4 9.817 -5.372 -5.593 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.164 -4.404 -5.975 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.046 -5.610 -6.018 1.00 0.00 N ATOM 0 H ASN A 4 8.939 -3.938 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 4 7.670 -4.951 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.047 -6.842 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.697 -7.135 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.485 -4.978 -6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.555 -6.425 -5.676 1.00 0.00 H new ATOM 55 N PHE A 5 6.233 -6.265 -2.431 1.00 0.00 N ATOM 56 CA PHE A 5 5.273 -7.179 -1.819 1.00 0.00 C ATOM 57 C PHE A 5 4.745 -8.182 -2.856 1.00 0.00 C ATOM 58 O PHE A 5 4.705 -9.384 -2.610 1.00 0.00 O ATOM 59 CB PHE A 5 4.116 -6.409 -1.164 1.00 0.00 C ATOM 60 CG PHE A 5 3.106 -5.838 -2.120 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.427 -4.770 -2.942 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.832 -6.378 -2.194 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.497 -4.255 -3.822 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.899 -5.868 -3.071 1.00 0.00 C ATOM 65 CZ PHE A 5 1.231 -4.805 -3.885 1.00 0.00 C ATOM 0 H PHE A 5 5.965 -5.281 -2.402 1.00 0.00 H new ATOM 0 HA PHE A 5 5.788 -7.735 -1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.602 -7.077 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.532 -5.595 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.415 -4.336 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.567 -7.209 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.758 -3.424 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.090 -6.300 -3.121 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.501 -4.402 -4.572 1.00 0.00 H new ATOM 74 N ALA A 6 4.412 -7.673 -4.039 1.00 0.00 N ATOM 75 CA ALA A 6 3.868 -8.478 -5.132 1.00 0.00 C ATOM 76 C ALA A 6 4.818 -9.585 -5.584 1.00 0.00 C ATOM 77 O ALA A 6 4.392 -10.562 -6.204 1.00 0.00 O ATOM 78 CB ALA A 6 3.543 -7.579 -6.307 1.00 0.00 C ATOM 0 H ALA A 6 4.512 -6.684 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 6 2.967 -8.963 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.137 -8.178 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.807 -6.835 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.450 -7.077 -6.643 1.00 0.00 H new ATOM 84 N ASN A 7 6.098 -9.418 -5.280 1.00 0.00 N ATOM 85 CA ASN A 7 7.133 -10.380 -5.661 1.00 0.00 C ATOM 86 C ASN A 7 6.796 -11.790 -5.176 1.00 0.00 C ATOM 87 O ASN A 7 7.064 -12.774 -5.865 1.00 0.00 O ATOM 88 CB ASN A 7 8.471 -9.935 -5.070 1.00 0.00 C ATOM 89 CG ASN A 7 9.681 -10.557 -5.746 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.637 -11.682 -6.245 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.778 -9.817 -5.768 1.00 0.00 N ATOM 0 H ASN A 7 6.452 -8.613 -4.763 1.00 0.00 H new ATOM 0 HA ASN A 7 7.192 -10.409 -6.749 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.545 -8.850 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.490 -10.187 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.625 -10.174 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.776 -8.889 -5.344 1.00 0.00 H new ATOM 97 N SER A 8 6.183 -11.884 -4.005 1.00 0.00 N ATOM 98 CA SER A 8 5.839 -13.182 -3.434 1.00 0.00 C ATOM 99 C SER A 8 4.411 -13.201 -2.900 1.00 0.00 C ATOM 100 O SER A 8 4.067 -14.031 -2.057 1.00 0.00 O ATOM 101 CB SER A 8 6.807 -13.516 -2.305 1.00 0.00 C ATOM 102 OG SER A 8 8.150 -13.571 -2.768 1.00 0.00 O ATOM 0 H SER A 8 5.914 -11.083 -3.433 1.00 0.00 H new ATOM 0 HA SER A 8 5.913 -13.927 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.723 -12.766 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.534 -14.474 -1.862 1.00 0.00 H new ATOM 0 HG SER A 8 8.745 -13.786 -2.020 1.00 0.00 H new ATOM 107 N CYS A 9 3.585 -12.299 -3.389 1.00 0.00 N ATOM 108 CA CYS A 9 2.200 -12.223 -2.947 1.00 0.00 C ATOM 109 C CYS A 9 1.256 -12.480 -4.115 1.00 0.00 C ATOM 110 O CYS A 9 1.429 -11.917 -5.197 1.00 0.00 O ATOM 111 CB CYS A 9 1.926 -10.855 -2.321 1.00 0.00 C ATOM 112 SG CYS A 9 2.812 -10.550 -0.753 1.00 0.00 S ATOM 0 H CYS A 9 3.844 -11.607 -4.092 1.00 0.00 H new ATOM 0 HA CYS A 9 2.026 -12.991 -2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.202 -10.080 -3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.855 -10.758 -2.143 1.00 0.00 H new ATOM 116 N THR A 10 0.263 -13.336 -3.895 1.00 0.00 N ATOM 117 CA THR A 10 -0.696 -13.682 -4.937 1.00 0.00 C ATOM 118 C THR A 10 -2.131 -13.613 -4.423 1.00 0.00 C ATOM 119 O THR A 10 -2.372 -13.749 -3.223 1.00 0.00 O ATOM 120 CB THR A 10 -0.422 -15.096 -5.484 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.257 -16.026 -4.399 1.00 0.00 O ATOM 122 CG2 THR A 10 0.824 -15.105 -6.350 1.00 0.00 C ATOM 0 H THR A 10 0.102 -13.803 -3.003 1.00 0.00 H new ATOM 0 HA THR A 10 -0.576 -12.952 -5.737 1.00 0.00 H new ATOM 0 HB THR A 10 -1.276 -15.395 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.085 -16.921 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.999 -16.113 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.688 -14.423 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.681 -14.785 -5.758 1.00 0.00 H new ATOM 130 N GLY A 11 -3.073 -13.402 -5.341 1.00 0.00 N ATOM 131 CA GLY A 11 -4.477 -13.318 -4.980 1.00 0.00 C ATOM 132 C GLY A 11 -4.741 -12.200 -3.998 1.00 0.00 C ATOM 133 O GLY A 11 -5.085 -12.449 -2.841 1.00 0.00 O ATOM 0 H GLY A 11 -2.885 -13.287 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.074 -13.160 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.798 -14.265 -4.546 1.00 0.00 H new ATOM 137 N VAL A 12 -4.580 -10.970 -4.459 1.00 0.00 N ATOM 138 CA VAL A 12 -4.771 -9.805 -3.607 1.00 0.00 C ATOM 139 C VAL A 12 -6.055 -9.048 -3.937 1.00 0.00 C ATOM 140 O VAL A 12 -6.326 -8.722 -5.094 1.00 0.00 O ATOM 141 CB VAL A 12 -3.567 -8.843 -3.696 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.363 -9.437 -2.983 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.225 -8.537 -5.145 1.00 0.00 C ATOM 0 H VAL A 12 -4.317 -10.751 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.854 -10.183 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.840 -7.909 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.522 -8.748 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.607 -9.604 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.095 -10.385 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.374 -7.857 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.973 -9.463 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.083 -8.071 -5.631 1.00 0.00 H new ATOM 153 N GLU A 13 -6.839 -8.780 -2.903 1.00 0.00 N ATOM 154 CA GLU A 13 -8.098 -8.054 -3.037 1.00 0.00 C ATOM 155 C GLU A 13 -8.028 -6.734 -2.288 1.00 0.00 C ATOM 156 O GLU A 13 -7.391 -6.647 -1.238 1.00 0.00 O ATOM 157 CB GLU A 13 -9.260 -8.883 -2.488 1.00 0.00 C ATOM 158 CG GLU A 13 -9.700 -10.004 -3.408 1.00 0.00 C ATOM 159 CD GLU A 13 -10.277 -9.488 -4.708 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.198 -8.649 -4.660 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.806 -9.908 -5.783 1.00 0.00 O ATOM 0 H GLU A 13 -6.622 -9.059 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.265 -7.862 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.969 -9.307 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.108 -8.224 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.849 -10.650 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.445 -10.616 -2.900 1.00 0.00 H new ATOM 166 N LEU A 14 -8.690 -5.716 -2.824 1.00 0.00 N ATOM 167 CA LEU A 14 -8.702 -4.400 -2.198 1.00 0.00 C ATOM 168 C LEU A 14 -10.114 -3.836 -2.136 1.00 0.00 C ATOM 169 O LEU A 14 -10.784 -3.692 -3.159 1.00 0.00 O ATOM 170 CB LEU A 14 -7.790 -3.429 -2.952 1.00 0.00 C ATOM 171 CG LEU A 14 -7.737 -2.005 -2.381 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.288 -2.018 -0.929 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.809 -1.150 -3.209 1.00 0.00 C ATOM 0 H LEU A 14 -9.225 -5.776 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.328 -4.518 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.779 -3.837 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.121 -3.375 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.741 -1.581 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.259 -0.997 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.989 -2.606 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.294 -2.460 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.778 -0.142 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.807 -1.580 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.171 -1.110 -4.237 1.00 0.00 H new ATOM 184 N TYR A 15 -10.559 -3.528 -0.929 1.00 0.00 N ATOM 185 CA TYR A 15 -11.883 -2.970 -0.717 1.00 0.00 C ATOM 186 C TYR A 15 -11.802 -1.785 0.244 1.00 0.00 C ATOM 187 O TYR A 15 -11.686 -1.967 1.457 1.00 0.00 O ATOM 188 CB TYR A 15 -12.819 -4.053 -0.168 1.00 0.00 C ATOM 189 CG TYR A 15 -14.263 -3.621 -0.020 1.00 0.00 C ATOM 190 CD1 TYR A 15 -15.095 -3.514 -1.128 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.798 -3.337 1.229 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.419 -3.136 -0.994 1.00 0.00 C ATOM 193 CE2 TYR A 15 -16.119 -2.956 1.371 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.927 -2.859 0.258 1.00 0.00 C ATOM 195 OH TYR A 15 -18.247 -2.486 0.397 1.00 0.00 O ATOM 0 H TYR A 15 -10.017 -3.657 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.283 -2.614 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.778 -4.919 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.448 -4.376 0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.701 -3.730 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.171 -3.415 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.052 -3.058 -1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.517 -2.735 2.350 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.444 -2.328 1.344 1.00 0.00 H new ATOM 204 N GLY A 16 -11.816 -0.576 -0.301 1.00 0.00 N ATOM 205 CA GLY A 16 -11.756 0.617 0.527 1.00 0.00 C ATOM 206 C GLY A 16 -10.342 0.959 0.957 1.00 0.00 C ATOM 207 O GLY A 16 -9.814 2.009 0.600 1.00 0.00 O ATOM 0 H GLY A 16 -11.868 -0.398 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.178 1.458 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.376 0.472 1.412 1.00 0.00 H new ATOM 211 N TYR A 17 -9.736 0.075 1.739 1.00 0.00 N ATOM 212 CA TYR A 17 -8.370 0.281 2.217 1.00 0.00 C ATOM 213 C TYR A 17 -7.789 -1.000 2.809 1.00 0.00 C ATOM 214 O TYR A 17 -6.813 -0.960 3.565 1.00 0.00 O ATOM 215 CB TYR A 17 -8.324 1.408 3.261 1.00 0.00 C ATOM 216 CG TYR A 17 -9.279 1.220 4.424 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.911 0.484 5.546 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.548 1.781 4.397 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.782 0.313 6.603 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.424 1.614 5.451 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.036 0.880 6.551 1.00 0.00 C ATOM 222 OH TYR A 17 -11.907 0.710 7.600 1.00 0.00 O ATOM 0 H TYR A 17 -10.167 -0.793 2.057 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.762 0.568 1.359 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.308 1.487 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.551 2.353 2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.928 0.039 5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.855 2.358 3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.482 -0.262 7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.409 2.056 5.414 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.748 1.174 7.406 1.00 0.00 H new ATOM 231 N ILE A 18 -8.375 -2.135 2.454 1.00 0.00 N ATOM 232 CA ILE A 18 -7.912 -3.417 2.961 1.00 0.00 C ATOM 233 C ILE A 18 -7.390 -4.296 1.827 1.00 0.00 C ATOM 234 O ILE A 18 -8.119 -4.611 0.890 1.00 0.00 O ATOM 235 CB ILE A 18 -9.022 -4.170 3.739 1.00 0.00 C ATOM 236 CG1 ILE A 18 -10.273 -4.365 2.873 1.00 0.00 C ATOM 237 CG2 ILE A 18 -9.374 -3.418 5.013 1.00 0.00 C ATOM 238 CD1 ILE A 18 -11.361 -5.176 3.547 1.00 0.00 C ATOM 0 H ILE A 18 -9.170 -2.193 1.818 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.098 -3.206 3.654 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.639 -5.156 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.674 -3.388 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.987 -4.858 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -10.154 -3.957 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.489 -3.337 5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.731 -2.420 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.213 -5.272 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.978 -6.167 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.675 -4.674 4.462 1.00 0.00 H new ATOM 249 N LEU A 19 -6.117 -4.655 1.904 1.00 0.00 N ATOM 250 CA LEU A 19 -5.499 -5.506 0.898 1.00 0.00 C ATOM 251 C LEU A 19 -5.166 -6.852 1.506 1.00 0.00 C ATOM 252 O LEU A 19 -4.331 -6.940 2.394 1.00 0.00 O ATOM 253 CB LEU A 19 -4.215 -4.871 0.362 1.00 0.00 C ATOM 254 CG LEU A 19 -4.229 -4.493 -1.118 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.950 -3.755 -1.478 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.389 -5.734 -1.984 1.00 0.00 C ATOM 0 H LEU A 19 -5.490 -4.369 2.656 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.203 -5.629 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.005 -3.974 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.391 -5.563 0.533 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.078 -3.835 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.968 -3.489 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.871 -2.849 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.092 -4.397 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.397 -5.446 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.558 -6.415 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.327 -6.231 -1.737 1.00 0.00 H new ATOM 267 N ARG A 20 -5.811 -7.895 1.042 1.00 0.00 N ATOM 268 CA ARG A 20 -5.540 -9.220 1.566 1.00 0.00 C ATOM 269 C ARG A 20 -5.071 -10.132 0.456 1.00 0.00 C ATOM 270 O ARG A 20 -5.602 -10.091 -0.654 1.00 0.00 O ATOM 271 CB ARG A 20 -6.775 -9.823 2.231 1.00 0.00 C ATOM 272 CG ARG A 20 -6.501 -11.174 2.869 1.00 0.00 C ATOM 273 CD ARG A 20 -7.535 -12.200 2.441 1.00 0.00 C ATOM 274 NE ARG A 20 -7.302 -13.512 3.044 1.00 0.00 N ATOM 275 CZ ARG A 20 -7.711 -13.862 4.266 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.297 -12.971 5.060 1.00 0.00 N ATOM 277 NH2 ARG A 20 -7.528 -15.103 4.699 1.00 0.00 N ATOM 0 H ARG A 20 -6.521 -7.858 0.310 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.758 -9.123 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.144 -9.135 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.565 -9.931 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.505 -11.517 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.509 -11.076 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.529 -11.847 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.521 -12.295 1.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.794 -14.205 2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.436 -12.014 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.607 -13.245 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.074 -15.791 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.841 -15.369 5.633 1.00 0.00 H new ATOM 288 N GLY A 21 -4.078 -10.942 0.754 1.00 0.00 N ATOM 289 CA GLY A 21 -3.567 -11.858 -0.230 1.00 0.00 C ATOM 290 C GLY A 21 -2.727 -12.946 0.385 1.00 0.00 C ATOM 291 O GLY A 21 -2.529 -12.978 1.599 1.00 0.00 O ATOM 0 H GLY A 21 -3.615 -10.982 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.399 -12.307 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.970 -11.309 -0.959 1.00 0.00 H new ATOM 295 N ASP A 22 -2.231 -13.836 -0.453 1.00 0.00 N ATOM 296 CA ASP A 22 -1.407 -14.940 0.003 1.00 0.00 C ATOM 297 C ASP A 22 0.046 -14.693 -0.350 1.00 0.00 C ATOM 298 O ASP A 22 0.425 -14.732 -1.523 1.00 0.00 O ATOM 299 CB ASP A 22 -1.881 -16.251 -0.619 1.00 0.00 C ATOM 300 CG ASP A 22 -3.124 -16.789 0.058 1.00 0.00 C ATOM 301 OD1 ASP A 22 -2.990 -17.552 1.039 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.243 -16.456 -0.386 1.00 0.00 O ATOM 0 H ASP A 22 -2.386 -13.816 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.498 -15.014 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.085 -16.096 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.084 -16.992 -0.553 1.00 0.00 H new ATOM 306 N CYS A 23 0.853 -14.427 0.661 1.00 0.00 N ATOM 307 CA CYS A 23 2.262 -14.170 0.456 1.00 0.00 C ATOM 308 C CYS A 23 3.087 -15.344 0.960 1.00 0.00 C ATOM 309 O CYS A 23 2.869 -15.842 2.062 1.00 0.00 O ATOM 310 CB CYS A 23 2.656 -12.882 1.174 1.00 0.00 C ATOM 311 SG CYS A 23 1.667 -11.438 0.665 1.00 0.00 S ATOM 0 H CYS A 23 0.553 -14.384 1.635 1.00 0.00 H new ATOM 0 HA CYS A 23 2.458 -14.051 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.548 -13.026 2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.710 -12.677 0.984 1.00 0.00 H new ATOM 315 N ILE A 24 4.038 -15.772 0.149 1.00 0.00 N ATOM 316 CA ILE A 24 4.891 -16.905 0.483 1.00 0.00 C ATOM 317 C ILE A 24 5.819 -16.585 1.654 1.00 0.00 C ATOM 318 O ILE A 24 6.373 -15.491 1.741 1.00 0.00 O ATOM 319 CB ILE A 24 5.734 -17.330 -0.738 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.817 -17.623 -1.929 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.583 -18.545 -0.411 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.556 -18.025 -3.189 1.00 0.00 C ATOM 0 H ILE A 24 4.242 -15.348 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 24 4.236 -17.726 0.776 1.00 0.00 H new ATOM 0 HB ILE A 24 6.404 -16.511 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.126 -18.420 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.216 -16.738 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.168 -18.826 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.255 -18.308 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.936 -19.375 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.838 -18.216 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.227 -17.220 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.135 -18.929 -2.999 1.00 0.00 H new ATOM 333 N ASN A 25 5.970 -17.544 2.557 1.00 0.00 N ATOM 334 CA ASN A 25 6.834 -17.367 3.717 1.00 0.00 C ATOM 335 C ASN A 25 8.113 -18.190 3.551 1.00 0.00 C ATOM 336 O ASN A 25 8.345 -18.743 2.477 1.00 0.00 O ATOM 337 CB ASN A 25 6.095 -17.751 5.008 1.00 0.00 C ATOM 338 CG ASN A 25 5.957 -19.246 5.208 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.769 -19.863 5.888 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.938 -19.835 4.611 1.00 0.00 N ATOM 0 H ASN A 25 5.506 -18.451 2.509 1.00 0.00 H new ATOM 0 HA ASN A 25 7.109 -16.315 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.626 -17.327 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.102 -17.302 4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.803 -20.842 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.285 -19.284 4.054 1.00 0.00 H new ATOM 346 N GLU A 26 8.926 -18.288 4.604 1.00 0.00 N ATOM 347 CA GLU A 26 10.188 -19.038 4.540 1.00 0.00 C ATOM 348 C GLU A 26 9.959 -20.498 4.139 1.00 0.00 C ATOM 349 O GLU A 26 10.813 -21.123 3.510 1.00 0.00 O ATOM 350 CB GLU A 26 10.924 -18.973 5.887 1.00 0.00 C ATOM 351 CG GLU A 26 10.163 -19.610 7.037 1.00 0.00 C ATOM 352 CD GLU A 26 10.827 -19.382 8.378 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.928 -19.928 8.609 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.248 -18.655 9.214 1.00 0.00 O ATOM 0 H GLU A 26 8.737 -17.860 5.510 1.00 0.00 H new ATOM 0 HA GLU A 26 10.805 -18.571 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.890 -19.467 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.124 -17.929 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.151 -19.206 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.074 -20.682 6.858 1.00 0.00 H new ATOM 359 N ASP A 27 8.789 -21.025 4.492 1.00 0.00 N ATOM 360 CA ASP A 27 8.427 -22.406 4.188 1.00 0.00 C ATOM 361 C ASP A 27 8.317 -22.638 2.685 1.00 0.00 C ATOM 362 O ASP A 27 8.442 -23.766 2.208 1.00 0.00 O ATOM 363 CB ASP A 27 7.102 -22.759 4.864 1.00 0.00 C ATOM 364 CG ASP A 27 6.761 -24.232 4.756 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.656 -25.075 4.973 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.586 -24.555 4.482 1.00 0.00 O ATOM 0 H ASP A 27 8.068 -20.508 4.995 1.00 0.00 H new ATOM 0 HA ASP A 27 9.218 -23.051 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.150 -22.478 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.302 -22.172 4.414 1.00 0.00 H new ATOM 370 N GLY A 28 8.086 -21.565 1.941 1.00 0.00 N ATOM 371 CA GLY A 28 7.962 -21.678 0.500 1.00 0.00 C ATOM 372 C GLY A 28 6.519 -21.778 0.064 1.00 0.00 C ATOM 373 O GLY A 28 6.222 -21.845 -1.127 1.00 0.00 O ATOM 0 H GLY A 28 7.982 -20.619 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.425 -20.812 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.507 -22.558 0.157 1.00 0.00 H new ATOM 377 N HIS A 29 5.621 -21.777 1.036 1.00 0.00 N ATOM 378 CA HIS A 29 4.194 -21.858 0.760 1.00 0.00 C ATOM 379 C HIS A 29 3.527 -20.516 1.040 1.00 0.00 C ATOM 380 O HIS A 29 3.972 -19.760 1.910 1.00 0.00 O ATOM 381 CB HIS A 29 3.539 -22.961 1.599 1.00 0.00 C ATOM 382 CG HIS A 29 3.911 -24.350 1.175 1.00 0.00 C ATOM 383 ND1 HIS A 29 3.095 -25.145 0.400 1.00 0.00 N ATOM 384 CD2 HIS A 29 5.015 -25.090 1.433 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.681 -26.313 0.203 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.848 -26.307 0.819 1.00 0.00 N ATOM 0 H HIS A 29 5.855 -21.721 2.027 1.00 0.00 H new ATOM 0 HA HIS A 29 4.062 -22.105 -0.293 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.819 -22.824 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.456 -22.852 1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.870 -24.780 2.015 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.273 -27.135 -0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.515 -27.078 0.836 1.00 0.00 H new ATOM 394 N PRO A 30 2.471 -20.192 0.280 1.00 0.00 N ATOM 395 CA PRO A 30 1.736 -18.935 0.434 1.00 0.00 C ATOM 396 C PRO A 30 0.910 -18.888 1.717 1.00 0.00 C ATOM 397 O PRO A 30 0.133 -19.799 2.009 1.00 0.00 O ATOM 398 CB PRO A 30 0.822 -18.905 -0.791 1.00 0.00 C ATOM 399 CG PRO A 30 0.639 -20.333 -1.166 1.00 0.00 C ATOM 400 CD PRO A 30 1.921 -21.025 -0.806 1.00 0.00 C ATOM 0 HA PRO A 30 2.409 -18.081 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.132 -18.431 -0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.271 -18.337 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.204 -20.771 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.428 -20.432 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.745 -22.049 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.601 -21.076 -1.656 1.00 0.00 H new ATOM 405 N HIS A 31 1.089 -17.820 2.475 1.00 0.00 N ATOM 406 CA HIS A 31 0.373 -17.623 3.725 1.00 0.00 C ATOM 407 C HIS A 31 -0.520 -16.389 3.628 1.00 0.00 C ATOM 408 O HIS A 31 -0.061 -15.308 3.252 1.00 0.00 O ATOM 409 CB HIS A 31 1.363 -17.471 4.887 1.00 0.00 C ATOM 410 CG HIS A 31 0.707 -17.262 6.218 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.839 -16.102 6.949 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.085 -18.077 6.952 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.155 -16.213 8.072 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.416 -17.402 8.099 1.00 0.00 N ATOM 0 H HIS A 31 1.734 -17.065 2.242 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.252 -18.496 3.913 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.989 -18.362 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.023 -16.628 4.682 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.381 -15.285 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.399 -19.075 6.684 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.076 -15.458 8.840 1.00 0.00 H new ATOM 422 N ALA A 32 -1.792 -16.568 3.954 1.00 0.00 N ATOM 423 CA ALA A 32 -2.766 -15.487 3.909 1.00 0.00 C ATOM 424 C ALA A 32 -2.422 -14.368 4.887 1.00 0.00 C ATOM 425 O ALA A 32 -2.200 -14.605 6.077 1.00 0.00 O ATOM 426 CB ALA A 32 -4.154 -16.026 4.201 1.00 0.00 C ATOM 0 H ALA A 32 -2.177 -17.463 4.256 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.743 -15.064 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.876 -15.210 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.417 -16.776 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.167 -16.479 5.192 1.00 0.00 H new ATOM 432 N THR A 33 -2.359 -13.159 4.364 1.00 0.00 N ATOM 433 CA THR A 33 -2.059 -11.982 5.154 1.00 0.00 C ATOM 434 C THR A 33 -2.856 -10.796 4.616 1.00 0.00 C ATOM 435 O THR A 33 -3.330 -10.825 3.477 1.00 0.00 O ATOM 436 CB THR A 33 -0.548 -11.669 5.133 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.243 -10.612 6.047 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.097 -11.283 3.734 1.00 0.00 C ATOM 0 H THR A 33 -2.515 -12.965 3.375 1.00 0.00 H new ATOM 0 HA THR A 33 -2.343 -12.172 6.189 1.00 0.00 H new ATOM 0 HB THR A 33 -0.014 -12.569 5.438 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.509 -10.876 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.971 -11.067 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.295 -12.106 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.644 -10.399 3.407 1.00 0.00 H new ATOM 446 N SER A 34 -3.016 -9.767 5.427 1.00 0.00 N ATOM 447 CA SER A 34 -3.759 -8.598 5.013 1.00 0.00 C ATOM 448 C SER A 34 -3.100 -7.326 5.509 1.00 0.00 C ATOM 449 O SER A 34 -2.566 -7.277 6.617 1.00 0.00 O ATOM 450 CB SER A 34 -5.201 -8.685 5.497 1.00 0.00 C ATOM 451 OG SER A 34 -5.280 -9.181 6.821 1.00 0.00 O ATOM 0 H SER A 34 -2.641 -9.719 6.374 1.00 0.00 H new ATOM 0 HA SER A 34 -3.762 -8.567 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.661 -7.698 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.770 -9.334 4.831 1.00 0.00 H new ATOM 0 HG SER A 34 -6.219 -9.222 7.100 1.00 0.00 H new ATOM 456 N ILE A 35 -3.137 -6.299 4.681 1.00 0.00 N ATOM 457 CA ILE A 35 -2.538 -5.029 5.020 1.00 0.00 C ATOM 458 C ILE A 35 -3.565 -3.910 4.933 1.00 0.00 C ATOM 459 O ILE A 35 -4.442 -3.921 4.067 1.00 0.00 O ATOM 460 CB ILE A 35 -1.360 -4.665 4.079 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.466 -5.871 3.795 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.530 -3.536 4.669 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.871 -6.660 2.567 1.00 0.00 C ATOM 0 H ILE A 35 -3.580 -6.324 3.763 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.164 -5.132 6.038 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.794 -4.336 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.561 -5.528 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.480 -6.533 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.291 -3.296 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.158 -2.655 4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.127 -3.846 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.189 -7.499 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.887 -7.035 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.829 -6.014 1.690 1.00 0.00 H new ATOM 474 N ASN A 36 -3.457 -2.950 5.832 1.00 0.00 N ATOM 475 CA ASN A 36 -4.349 -1.807 5.830 1.00 0.00 C ATOM 476 C ASN A 36 -3.614 -0.602 5.275 1.00 0.00 C ATOM 477 O ASN A 36 -2.960 0.139 6.008 1.00 0.00 O ATOM 478 CB ASN A 36 -4.895 -1.521 7.227 1.00 0.00 C ATOM 479 CG ASN A 36 -5.927 -2.543 7.661 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.569 -3.185 6.695 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.137 -2.765 8.852 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.758 -2.940 6.575 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.206 -2.030 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.072 -1.513 7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.342 -0.527 7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.622 -2.249 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.826 -3.465 9.127 1.00 0.00 H new ATOM 487 N LEU A 37 -3.755 -0.414 3.966 1.00 0.00 N ATOM 488 CA LEU A 37 -3.090 0.667 3.236 1.00 0.00 C ATOM 489 C LEU A 37 -3.431 2.024 3.828 1.00 0.00 C ATOM 490 O LEU A 37 -2.684 2.987 3.670 1.00 0.00 O ATOM 491 CB LEU A 37 -3.494 0.659 1.752 1.00 0.00 C ATOM 492 CG LEU A 37 -3.303 -0.659 0.988 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.982 -1.321 1.356 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.474 -1.603 1.235 1.00 0.00 C ATOM 0 H LEU A 37 -4.337 -1.009 3.376 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.017 0.496 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.545 0.941 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.923 1.434 1.241 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.273 -0.428 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.874 -2.252 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.158 -0.652 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.967 -1.533 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.317 -2.530 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.546 -1.822 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.398 -1.133 0.898 1.00 0.00 H new ATOM 505 N ASN A 38 -4.562 2.083 4.512 1.00 0.00 N ATOM 506 CA ASN A 38 -5.032 3.314 5.131 1.00 0.00 C ATOM 507 C ASN A 38 -3.986 3.919 6.065 1.00 0.00 C ATOM 508 O ASN A 38 -3.881 5.132 6.171 1.00 0.00 O ATOM 509 CB ASN A 38 -6.328 3.041 5.905 1.00 0.00 C ATOM 510 CG ASN A 38 -6.856 4.262 6.643 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.458 4.535 7.771 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.774 4.988 6.024 1.00 0.00 N ATOM 0 H ASN A 38 -5.179 1.283 4.654 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.219 4.036 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.090 2.687 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.153 2.239 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.175 5.805 6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.081 4.730 5.086 1.00 0.00 H new ATOM 518 N TYR A 39 -3.190 3.083 6.712 1.00 0.00 N ATOM 519 CA TYR A 39 -2.189 3.581 7.649 1.00 0.00 C ATOM 520 C TYR A 39 -0.795 3.608 7.027 1.00 0.00 C ATOM 521 O TYR A 39 0.196 3.807 7.731 1.00 0.00 O ATOM 522 CB TYR A 39 -2.163 2.708 8.906 1.00 0.00 C ATOM 523 CG TYR A 39 -3.533 2.421 9.485 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.198 3.360 10.267 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.157 1.204 9.251 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.448 3.090 10.797 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.405 0.927 9.775 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.045 1.872 10.547 1.00 0.00 C ATOM 529 OH TYR A 39 -7.287 1.590 11.071 1.00 0.00 O ATOM 0 H TYR A 39 -3.214 2.068 6.610 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.467 4.602 7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.675 1.763 8.669 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.555 3.200 9.665 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.732 4.314 10.464 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.658 0.460 8.648 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.953 3.828 11.402 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.876 -0.025 9.581 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.561 0.690 10.797 1.00 0.00 H new ATOM 538 N TYR A 40 -0.709 3.417 5.716 1.00 0.00 N ATOM 539 CA TYR A 40 0.593 3.401 5.054 1.00 0.00 C ATOM 540 C TYR A 40 0.655 4.338 3.856 1.00 0.00 C ATOM 541 O TYR A 40 1.725 4.832 3.511 1.00 0.00 O ATOM 542 CB TYR A 40 0.955 1.979 4.623 1.00 0.00 C ATOM 543 CG TYR A 40 0.944 0.991 5.766 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.826 1.122 6.831 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.047 -0.065 5.785 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.812 0.227 7.882 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.027 -0.964 6.832 1.00 0.00 C ATOM 548 CZ TYR A 40 0.908 -0.815 7.879 1.00 0.00 C ATOM 549 OH TYR A 40 0.888 -1.720 8.916 1.00 0.00 O ATOM 0 H TYR A 40 -1.508 3.273 5.098 1.00 0.00 H new ATOM 0 HA TYR A 40 1.320 3.760 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.253 1.648 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.945 1.985 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.534 1.937 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.648 -0.187 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.505 0.342 8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.678 -1.782 6.830 1.00 0.00 H new ATOM 0 HH TYR A 40 0.189 -2.388 8.754 1.00 0.00 H new ATOM 558 N ILE A 41 -0.485 4.595 3.237 1.00 0.00 N ATOM 559 CA ILE A 41 -0.541 5.458 2.068 1.00 0.00 C ATOM 560 C ILE A 41 -1.248 6.765 2.394 1.00 0.00 C ATOM 561 O ILE A 41 -2.222 6.783 3.152 1.00 0.00 O ATOM 562 CB ILE A 41 -1.266 4.766 0.892 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.377 3.717 0.221 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.736 5.781 -0.137 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.253 2.434 0.999 1.00 0.00 C ATOM 0 H ILE A 41 -1.387 4.217 3.525 1.00 0.00 H new ATOM 0 HA ILE A 41 0.487 5.667 1.773 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.137 4.260 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.778 3.494 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.617 4.138 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.242 5.265 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.426 6.482 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.877 6.325 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.393 1.742 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.178 2.643 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.239 1.988 1.124 1.00 0.00 H new ATOM 576 N GLY A 42 -0.755 7.856 1.827 1.00 0.00 N ATOM 577 CA GLY A 42 -1.359 9.144 2.071 1.00 0.00 C ATOM 578 C GLY A 42 -1.828 9.801 0.799 1.00 0.00 C ATOM 579 O GLY A 42 -1.467 9.375 -0.297 1.00 0.00 O ATOM 0 H GLY A 42 0.052 7.870 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.204 9.025 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.639 9.793 2.569 1.00 0.00 H new ATOM 583 N ASN A 43 -2.636 10.833 0.939 1.00 0.00 N ATOM 584 CA ASN A 43 -3.149 11.551 -0.216 1.00 0.00 C ATOM 585 C ASN A 43 -2.581 12.963 -0.253 1.00 0.00 C ATOM 586 O ASN A 43 -2.872 13.794 0.606 1.00 0.00 O ATOM 587 CB ASN A 43 -4.691 11.574 -0.243 1.00 0.00 C ATOM 588 CG ASN A 43 -5.331 12.246 0.964 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.828 12.164 2.086 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.450 12.924 0.735 1.00 0.00 N ATOM 0 H ASN A 43 -2.952 11.195 1.839 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.824 11.019 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.019 12.088 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.056 10.549 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.924 13.400 1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.835 12.969 -0.208 1.00 0.00 H new ATOM 596 N ASP A 44 -1.740 13.219 -1.239 1.00 0.00 N ATOM 597 CA ASP A 44 -1.116 14.522 -1.399 1.00 0.00 C ATOM 598 C ASP A 44 -1.664 15.224 -2.628 1.00 0.00 C ATOM 599 O ASP A 44 -1.466 14.767 -3.752 1.00 0.00 O ATOM 600 CB ASP A 44 0.401 14.376 -1.509 1.00 0.00 C ATOM 601 CG ASP A 44 1.098 15.695 -1.788 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.882 16.663 -1.029 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.870 15.769 -2.770 1.00 0.00 O ATOM 0 H ASP A 44 -1.471 12.536 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.346 15.125 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.789 13.954 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.637 13.670 -2.305 1.00 0.00 H new ATOM 607 N ASN A 45 -2.385 16.317 -2.400 1.00 0.00 N ATOM 608 CA ASN A 45 -2.977 17.113 -3.476 1.00 0.00 C ATOM 609 C ASN A 45 -3.894 16.259 -4.349 1.00 0.00 C ATOM 610 O ASN A 45 -3.960 16.434 -5.567 1.00 0.00 O ATOM 611 CB ASN A 45 -1.879 17.749 -4.328 1.00 0.00 C ATOM 612 CG ASN A 45 -2.245 19.130 -4.825 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.933 19.884 -4.141 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.792 19.474 -6.018 1.00 0.00 N ATOM 0 H ASN A 45 -2.577 16.678 -1.466 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.577 17.902 -3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.962 17.810 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.670 17.105 -5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.011 20.394 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.223 18.820 -6.556 1.00 0.00 H new ATOM 620 N GLY A 46 -4.596 15.321 -3.719 1.00 0.00 N ATOM 621 CA GLY A 46 -5.501 14.455 -4.445 1.00 0.00 C ATOM 622 C GLY A 46 -4.786 13.332 -5.167 1.00 0.00 C ATOM 623 O GLY A 46 -5.366 12.670 -6.025 1.00 0.00 O ATOM 0 H GLY A 46 -4.552 15.147 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.226 14.031 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.061 15.047 -5.168 1.00 0.00 H new ATOM 627 N ARG A 47 -3.526 13.120 -4.822 1.00 0.00 N ATOM 628 CA ARG A 47 -2.727 12.076 -5.443 1.00 0.00 C ATOM 629 C ARG A 47 -2.270 11.063 -4.411 1.00 0.00 C ATOM 630 O ARG A 47 -2.015 11.414 -3.259 1.00 0.00 O ATOM 631 CB ARG A 47 -1.503 12.689 -6.124 1.00 0.00 C ATOM 632 CG ARG A 47 -1.511 12.551 -7.633 1.00 0.00 C ATOM 633 CD ARG A 47 -2.760 13.160 -8.238 1.00 0.00 C ATOM 634 NE ARG A 47 -2.895 14.576 -7.911 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.172 15.519 -8.802 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.308 15.207 -10.086 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.305 16.778 -8.404 1.00 0.00 N ATOM 0 H ARG A 47 -3.033 13.660 -4.111 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.346 11.571 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.446 13.746 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.604 12.215 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.629 13.038 -8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.451 11.497 -7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.733 13.040 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.636 12.620 -7.879 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.769 14.857 -6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.199 14.239 -10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.521 15.935 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.194 17.016 -7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.518 17.508 -9.084 1.00 0.00 H new ATOM 648 N LEU A 48 -2.184 9.808 -4.824 1.00 0.00 N ATOM 649 CA LEU A 48 -1.731 8.745 -3.942 1.00 0.00 C ATOM 650 C LEU A 48 -0.229 8.854 -3.736 1.00 0.00 C ATOM 651 O LEU A 48 0.553 8.685 -4.674 1.00 0.00 O ATOM 652 CB LEU A 48 -2.088 7.375 -4.526 1.00 0.00 C ATOM 653 CG LEU A 48 -3.455 6.809 -4.134 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.561 7.805 -4.416 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.713 5.507 -4.875 1.00 0.00 C ATOM 0 H LEU A 48 -2.423 9.501 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.232 8.848 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.045 7.444 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.322 6.662 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.447 6.612 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.520 7.375 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.385 8.716 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.575 8.042 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.688 5.113 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.697 5.690 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.939 4.783 -4.619 1.00 0.00 H new ATOM 666 N GLU A 49 0.156 9.154 -2.511 1.00 0.00 N ATOM 667 CA GLU A 49 1.552 9.295 -2.152 1.00 0.00 C ATOM 668 C GLU A 49 1.996 8.074 -1.368 1.00 0.00 C ATOM 669 O GLU A 49 1.274 7.631 -0.468 1.00 0.00 O ATOM 670 CB GLU A 49 1.749 10.562 -1.317 1.00 0.00 C ATOM 671 CG GLU A 49 3.193 10.848 -0.947 1.00 0.00 C ATOM 672 CD GLU A 49 4.019 11.308 -2.127 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.459 10.457 -2.920 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.240 12.530 -2.265 1.00 0.00 O ATOM 0 H GLU A 49 -0.491 9.307 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 49 2.155 9.377 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.353 11.413 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.162 10.475 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.220 11.612 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.640 9.948 -0.525 1.00 0.00 H new ATOM 679 N TYR A 50 3.155 7.527 -1.742 1.00 0.00 N ATOM 680 CA TYR A 50 3.727 6.344 -1.103 1.00 0.00 C ATOM 681 C TYR A 50 3.509 6.307 0.305 1.00 0.00 C ATOM 682 O TYR A 50 2.755 5.446 0.761 1.00 0.00 O ATOM 683 CB TYR A 50 5.210 6.117 -1.413 1.00 0.00 C ATOM 684 CG TYR A 50 5.882 7.165 -2.297 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.458 7.388 -3.603 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.954 7.916 -1.827 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.073 8.325 -4.407 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.572 8.858 -2.628 1.00 0.00 C ATOM 689 CZ TYR A 50 7.126 9.058 -3.916 1.00 0.00 C ATOM 690 OH TYR A 50 7.736 9.996 -4.719 1.00 0.00 O ATOM 0 H TYR A 50 3.725 7.897 -2.502 1.00 0.00 H new ATOM 0 HA TYR A 50 3.177 5.519 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.753 6.065 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.314 5.145 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.630 6.816 -3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.310 7.761 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.728 8.482 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.401 9.435 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 50 8.462 10.429 -4.223 1.00 0.00 H new ATOM 699 N PRO A 51 4.088 7.132 1.080 1.00 0.00 N ATOM 700 CA PRO A 51 3.817 6.935 2.379 1.00 0.00 C ATOM 701 C PRO A 51 2.948 8.008 2.975 1.00 0.00 C ATOM 702 O PRO A 51 3.204 9.211 2.859 1.00 0.00 O ATOM 703 CB PRO A 51 5.191 6.889 2.908 1.00 0.00 C ATOM 704 CG PRO A 51 5.902 7.986 2.155 1.00 0.00 C ATOM 705 CD PRO A 51 5.113 8.151 0.874 1.00 0.00 C ATOM 0 HA PRO A 51 3.223 6.050 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.212 7.063 3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.655 5.918 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.921 8.912 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.938 7.717 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.692 9.151 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.716 7.963 -0.015 1.00 0.00 H new ATOM 710 N GLY A 52 1.928 7.559 3.615 1.00 0.00 N ATOM 711 CA GLY A 52 0.991 8.466 4.194 1.00 0.00 C ATOM 712 C GLY A 52 0.135 7.842 5.262 1.00 0.00 C ATOM 713 O GLY A 52 0.480 6.793 5.808 1.00 0.00 O ATOM 0 H GLY A 52 1.717 6.571 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.531 9.312 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.347 8.862 3.409 1.00 0.00 H new ATOM 717 N GLU A 53 -0.991 8.487 5.540 1.00 0.00 N ATOM 718 CA GLU A 53 -1.930 8.023 6.550 1.00 0.00 C ATOM 719 C GLU A 53 -3.336 8.533 6.246 1.00 0.00 C ATOM 720 O GLU A 53 -3.511 9.675 5.813 1.00 0.00 O ATOM 721 CB GLU A 53 -1.517 8.501 7.949 1.00 0.00 C ATOM 722 CG GLU A 53 -0.292 7.806 8.519 1.00 0.00 C ATOM 723 CD GLU A 53 0.115 8.355 9.869 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.426 7.890 10.892 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.980 9.256 9.918 1.00 0.00 O ATOM 0 H GLU A 53 -1.278 9.346 5.071 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.922 6.933 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.325 9.573 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.354 8.351 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.495 6.739 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.539 7.914 7.822 1.00 0.00 H new ATOM 730 N SER A 54 -4.317 7.669 6.474 1.00 0.00 N ATOM 731 CA SER A 54 -5.727 7.970 6.277 1.00 0.00 C ATOM 732 C SER A 54 -6.047 8.531 4.889 1.00 0.00 C ATOM 733 O SER A 54 -6.775 9.513 4.765 1.00 0.00 O ATOM 734 CB SER A 54 -6.197 8.930 7.363 1.00 0.00 C ATOM 735 OG SER A 54 -6.002 8.368 8.651 1.00 0.00 O ATOM 0 H SER A 54 -4.150 6.720 6.808 1.00 0.00 H new ATOM 0 HA SER A 54 -6.267 7.026 6.347 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.651 9.870 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.252 9.162 7.218 1.00 0.00 H new ATOM 0 HG SER A 54 -6.308 9.001 9.334 1.00 0.00 H new ATOM 740 N PHE A 55 -5.522 7.902 3.843 1.00 0.00 N ATOM 741 CA PHE A 55 -5.805 8.361 2.486 1.00 0.00 C ATOM 742 C PHE A 55 -7.250 8.016 2.126 1.00 0.00 C ATOM 743 O PHE A 55 -7.967 8.824 1.547 1.00 0.00 O ATOM 744 CB PHE A 55 -4.833 7.741 1.459 1.00 0.00 C ATOM 745 CG PHE A 55 -5.145 6.317 1.076 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.878 5.268 1.944 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.710 6.032 -0.158 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.172 3.966 1.587 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.003 4.731 -0.519 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.735 3.698 0.355 1.00 0.00 C ATOM 0 H PHE A 55 -4.910 7.088 3.904 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.665 9.441 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.838 8.355 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.823 7.780 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.436 5.471 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.924 6.837 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.961 3.158 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.441 4.523 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.965 2.680 0.076 1.00 0.00 H new ATOM 759 N GLY A 56 -7.690 6.833 2.560 1.00 0.00 N ATOM 760 CA GLY A 56 -9.035 6.354 2.261 1.00 0.00 C ATOM 761 C GLY A 56 -10.109 7.273 2.795 1.00 0.00 C ATOM 762 O GLY A 56 -11.256 7.224 2.357 1.00 0.00 O ATOM 0 H GLY A 56 -7.131 6.190 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.150 6.255 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.167 5.360 2.688 1.00 0.00 H new ATOM 766 N SER A 57 -9.721 8.110 3.742 1.00 0.00 N ATOM 767 CA SER A 57 -10.617 9.066 4.357 1.00 0.00 C ATOM 768 C SER A 57 -11.098 10.108 3.338 1.00 0.00 C ATOM 769 O SER A 57 -12.122 10.762 3.538 1.00 0.00 O ATOM 770 CB SER A 57 -9.886 9.730 5.520 1.00 0.00 C ATOM 771 OG SER A 57 -9.525 8.768 6.501 1.00 0.00 O ATOM 0 H SER A 57 -8.769 8.143 4.106 1.00 0.00 H new ATOM 0 HA SER A 57 -11.505 8.553 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.993 10.236 5.153 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.523 10.493 5.968 1.00 0.00 H new ATOM 0 HG SER A 57 -9.510 9.191 7.385 1.00 0.00 H new ATOM 776 N SER A 58 -10.355 10.256 2.245 1.00 0.00 N ATOM 777 CA SER A 58 -10.712 11.201 1.193 1.00 0.00 C ATOM 778 C SER A 58 -10.362 10.636 -0.184 1.00 0.00 C ATOM 779 O SER A 58 -10.087 11.381 -1.126 1.00 0.00 O ATOM 780 CB SER A 58 -9.999 12.539 1.411 1.00 0.00 C ATOM 781 OG SER A 58 -10.324 13.094 2.679 1.00 0.00 O ATOM 0 H SER A 58 -9.499 9.731 2.065 1.00 0.00 H new ATOM 0 HA SER A 58 -11.789 11.366 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.921 12.395 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.281 13.237 0.623 1.00 0.00 H new ATOM 0 HG SER A 58 -9.854 13.947 2.793 1.00 0.00 H new ATOM 786 N CYS A 59 -10.374 9.313 -0.290 1.00 0.00 N ATOM 787 CA CYS A 59 -10.063 8.638 -1.538 1.00 0.00 C ATOM 788 C CYS A 59 -11.117 7.586 -1.854 1.00 0.00 C ATOM 789 O CYS A 59 -11.669 6.955 -0.950 1.00 0.00 O ATOM 790 CB CYS A 59 -8.689 7.975 -1.460 1.00 0.00 C ATOM 791 SG CYS A 59 -7.306 9.131 -1.179 1.00 0.00 S ATOM 0 H CYS A 59 -10.598 8.685 0.482 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.055 9.384 -2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.700 7.239 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.509 7.431 -2.387 1.00 0.00 H new ATOM 795 N VAL A 60 -11.395 7.407 -3.137 1.00 0.00 N ATOM 796 CA VAL A 60 -12.379 6.429 -3.590 1.00 0.00 C ATOM 797 C VAL A 60 -11.852 5.655 -4.793 1.00 0.00 C ATOM 798 O VAL A 60 -10.792 5.987 -5.330 1.00 0.00 O ATOM 799 CB VAL A 60 -13.722 7.086 -3.971 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.421 7.653 -2.742 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.506 8.172 -5.013 1.00 0.00 C ATOM 0 H VAL A 60 -10.949 7.931 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.551 5.751 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.366 6.318 -4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.365 8.110 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.615 6.850 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.784 8.405 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.463 8.625 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.840 8.935 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.059 7.735 -5.906 1.00 0.00 H new ATOM 811 N LYS A 61 -12.606 4.634 -5.210 1.00 0.00 N ATOM 812 CA LYS A 61 -12.241 3.787 -6.349 1.00 0.00 C ATOM 813 C LYS A 61 -10.925 3.060 -6.098 1.00 0.00 C ATOM 814 O LYS A 61 -10.081 2.958 -6.988 1.00 0.00 O ATOM 815 CB LYS A 61 -12.155 4.586 -7.659 1.00 0.00 C ATOM 816 CG LYS A 61 -13.499 4.838 -8.328 1.00 0.00 C ATOM 817 CD LYS A 61 -14.277 5.959 -7.661 1.00 0.00 C ATOM 818 CE LYS A 61 -15.577 6.241 -8.393 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.159 7.552 -8.008 1.00 0.00 N ATOM 0 H LYS A 61 -13.487 4.371 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.037 3.050 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.678 5.545 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.510 4.051 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.339 5.085 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.091 3.923 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.491 5.690 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.668 6.863 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.398 6.225 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.294 5.449 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.045 7.705 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.354 7.559 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.486 8.311 -8.237 1.00 0.00 H new ATOM 829 N THR A 62 -10.760 2.563 -4.882 1.00 0.00 N ATOM 830 CA THR A 62 -9.555 1.834 -4.508 1.00 0.00 C ATOM 831 C THR A 62 -9.467 0.486 -5.225 1.00 0.00 C ATOM 832 O THR A 62 -10.385 -0.333 -5.146 1.00 0.00 O ATOM 833 CB THR A 62 -9.498 1.604 -2.986 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.787 1.203 -2.503 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.045 2.860 -2.261 1.00 0.00 C ATOM 0 H THR A 62 -11.448 2.651 -4.134 1.00 0.00 H new ATOM 0 HA THR A 62 -8.707 2.448 -4.812 1.00 0.00 H new ATOM 0 HB THR A 62 -8.774 0.814 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.187 0.564 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.014 2.670 -1.188 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.051 3.142 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.745 3.670 -2.465 1.00 0.00 H new ATOM 843 N ALA A 63 -8.370 0.269 -5.938 1.00 0.00 N ATOM 844 CA ALA A 63 -8.155 -0.977 -6.665 1.00 0.00 C ATOM 845 C ALA A 63 -6.665 -1.235 -6.834 1.00 0.00 C ATOM 846 O ALA A 63 -5.860 -0.302 -6.793 1.00 0.00 O ATOM 847 CB ALA A 63 -8.850 -0.943 -8.016 1.00 0.00 C ATOM 0 H ALA A 63 -7.610 0.944 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.587 -1.793 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.675 -1.883 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.921 -0.803 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.453 -0.119 -8.609 1.00 0.00 H new ATOM 853 N LEU A 64 -6.297 -2.491 -7.028 1.00 0.00 N ATOM 854 CA LEU A 64 -4.898 -2.862 -7.188 1.00 0.00 C ATOM 855 C LEU A 64 -4.628 -3.378 -8.596 1.00 0.00 C ATOM 856 O LEU A 64 -5.115 -4.440 -8.980 1.00 0.00 O ATOM 857 CB LEU A 64 -4.528 -3.929 -6.150 1.00 0.00 C ATOM 858 CG LEU A 64 -3.527 -3.494 -5.073 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.121 -3.443 -5.635 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.900 -2.139 -4.501 1.00 0.00 C ATOM 0 H LEU A 64 -6.949 -3.274 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.282 -1.976 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.442 -4.261 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.117 -4.792 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.561 -4.233 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.428 -3.132 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.838 -4.431 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.084 -2.729 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.174 -1.853 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.901 -1.395 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.893 -2.193 -4.054 1.00 0.00 H new ATOM 871 N ASN A 65 -3.846 -2.625 -9.362 1.00 0.00 N ATOM 872 CA ASN A 65 -3.504 -3.017 -10.723 1.00 0.00 C ATOM 873 C ASN A 65 -2.443 -4.101 -10.705 1.00 0.00 C ATOM 874 O ASN A 65 -1.339 -3.891 -10.189 1.00 0.00 O ATOM 875 CB ASN A 65 -2.996 -1.818 -11.530 1.00 0.00 C ATOM 876 CG ASN A 65 -4.080 -1.160 -12.363 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.311 -1.541 -13.510 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.752 -0.167 -11.803 1.00 0.00 N ATOM 0 H ASN A 65 -3.437 -1.740 -9.063 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.407 -3.399 -11.198 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.573 -1.081 -10.847 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.189 -2.145 -12.186 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.488 0.309 -12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.534 0.123 -10.850 1.00 0.00 H new ATOM 884 N ASP A 66 -2.809 -5.273 -11.232 1.00 0.00 N ATOM 885 CA ASP A 66 -1.916 -6.435 -11.321 1.00 0.00 C ATOM 886 C ASP A 66 -1.463 -6.915 -9.934 1.00 0.00 C ATOM 887 O ASP A 66 -0.649 -7.831 -9.812 1.00 0.00 O ATOM 888 CB ASP A 66 -0.711 -6.092 -12.200 1.00 0.00 C ATOM 889 CG ASP A 66 0.113 -7.302 -12.583 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.345 -8.099 -13.427 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.238 -7.450 -12.066 1.00 0.00 O ATOM 0 H ASP A 66 -3.740 -5.445 -11.612 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.470 -7.256 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.060 -5.597 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.076 -5.380 -11.672 1.00 0.00 H new ATOM 895 N GLY A 67 -2.016 -6.306 -8.895 1.00 0.00 N ATOM 896 CA GLY A 67 -1.668 -6.670 -7.536 1.00 0.00 C ATOM 897 C GLY A 67 -0.320 -6.123 -7.103 1.00 0.00 C ATOM 898 O GLY A 67 0.407 -6.778 -6.362 1.00 0.00 O ATOM 0 H GLY A 67 -2.706 -5.559 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.438 -6.302 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.659 -7.756 -7.448 1.00 0.00 H new ATOM 902 N HIS A 68 0.019 -4.921 -7.563 1.00 0.00 N ATOM 903 CA HIS A 68 1.289 -4.296 -7.187 1.00 0.00 C ATOM 904 C HIS A 68 1.167 -2.771 -7.147 1.00 0.00 C ATOM 905 O HIS A 68 1.900 -2.098 -6.426 1.00 0.00 O ATOM 906 CB HIS A 68 2.432 -4.732 -8.125 1.00 0.00 C ATOM 907 CG HIS A 68 2.430 -4.105 -9.491 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.338 -3.143 -9.874 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.650 -4.330 -10.573 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.117 -2.804 -11.129 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.099 -3.511 -11.577 1.00 0.00 N ATOM 0 H HIS A 68 -0.560 -4.363 -8.191 1.00 0.00 H new ATOM 0 HA HIS A 68 1.535 -4.640 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.382 -4.502 -7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.388 -5.815 -8.242 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.069 -2.753 -9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.826 -5.026 -10.635 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.675 -2.072 -11.694 1.00 0.00 H new ATOM 919 N THR A 69 0.238 -2.233 -7.919 1.00 0.00 N ATOM 920 CA THR A 69 0.016 -0.802 -7.968 1.00 0.00 C ATOM 921 C THR A 69 -1.372 -0.448 -7.443 1.00 0.00 C ATOM 922 O THR A 69 -2.364 -1.034 -7.860 1.00 0.00 O ATOM 923 CB THR A 69 0.157 -0.297 -9.413 1.00 0.00 C ATOM 924 OG1 THR A 69 1.523 -0.378 -9.837 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.359 1.125 -9.559 1.00 0.00 C ATOM 0 H THR A 69 -0.379 -2.774 -8.525 1.00 0.00 H new ATOM 0 HA THR A 69 0.763 -0.322 -7.336 1.00 0.00 H new ATOM 0 HB THR A 69 -0.451 -0.938 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.599 -0.055 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.244 1.449 -10.593 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.413 1.160 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.209 1.787 -8.906 1.00 0.00 H new ATOM 933 N LEU A 70 -1.436 0.503 -6.531 1.00 0.00 N ATOM 934 CA LEU A 70 -2.715 0.940 -5.983 1.00 0.00 C ATOM 935 C LEU A 70 -3.258 2.081 -6.823 1.00 0.00 C ATOM 936 O LEU A 70 -2.518 2.965 -7.224 1.00 0.00 O ATOM 937 CB LEU A 70 -2.565 1.368 -4.516 1.00 0.00 C ATOM 938 CG LEU A 70 -3.709 2.211 -3.935 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.019 1.442 -3.945 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.373 2.655 -2.519 1.00 0.00 C ATOM 0 H LEU A 70 -0.623 0.989 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.418 0.107 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.457 0.471 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.638 1.934 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.829 3.092 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.810 2.065 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.274 1.170 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.915 0.538 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.193 3.252 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.222 1.778 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.462 3.253 -2.532 1.00 0.00 H new ATOM 951 N THR A 71 -4.539 2.042 -7.113 1.00 0.00 N ATOM 952 CA THR A 71 -5.160 3.076 -7.912 1.00 0.00 C ATOM 953 C THR A 71 -6.393 3.614 -7.208 1.00 0.00 C ATOM 954 O THR A 71 -7.236 2.841 -6.757 1.00 0.00 O ATOM 955 CB THR A 71 -5.552 2.531 -9.295 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.220 1.135 -9.373 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.832 3.289 -10.397 1.00 0.00 C ATOM 0 H THR A 71 -5.173 1.304 -6.807 1.00 0.00 H new ATOM 0 HA THR A 71 -4.440 3.883 -8.043 1.00 0.00 H new ATOM 0 HB THR A 71 -6.626 2.663 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.996 0.632 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.125 2.886 -11.367 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.099 4.345 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.755 3.181 -10.269 1.00 0.00 H new ATOM 965 N ALA A 72 -6.475 4.931 -7.092 1.00 0.00 N ATOM 966 CA ALA A 72 -7.613 5.571 -6.449 1.00 0.00 C ATOM 967 C ALA A 72 -7.670 7.050 -6.803 1.00 0.00 C ATOM 968 O ALA A 72 -6.712 7.612 -7.341 1.00 0.00 O ATOM 969 CB ALA A 72 -7.548 5.392 -4.938 1.00 0.00 C ATOM 0 H ALA A 72 -5.766 5.578 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.521 5.093 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.408 5.878 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.559 4.329 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.630 5.841 -4.558 1.00 0.00 H new ATOM 975 N SER A 73 -8.799 7.667 -6.509 1.00 0.00 N ATOM 976 CA SER A 73 -8.994 9.077 -6.779 1.00 0.00 C ATOM 977 C SER A 73 -9.182 9.813 -5.459 1.00 0.00 C ATOM 978 O SER A 73 -10.019 9.424 -4.642 1.00 0.00 O ATOM 979 CB SER A 73 -10.208 9.276 -7.689 1.00 0.00 C ATOM 980 OG SER A 73 -10.234 10.586 -8.227 1.00 0.00 O ATOM 0 H SER A 73 -9.602 7.207 -6.079 1.00 0.00 H new ATOM 0 HA SER A 73 -8.120 9.479 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.182 8.547 -8.499 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.123 9.093 -7.125 1.00 0.00 H new ATOM 0 HG SER A 73 -10.517 10.549 -9.165 1.00 0.00 H new ATOM 985 N CYS A 74 -8.398 10.861 -5.241 1.00 0.00 N ATOM 986 CA CYS A 74 -8.482 11.610 -3.995 1.00 0.00 C ATOM 987 C CYS A 74 -8.661 13.097 -4.235 1.00 0.00 C ATOM 988 O CYS A 74 -8.311 13.620 -5.296 1.00 0.00 O ATOM 989 CB CYS A 74 -7.214 11.393 -3.175 1.00 0.00 C ATOM 990 SG CYS A 74 -6.718 9.654 -3.039 1.00 0.00 S ATOM 0 H CYS A 74 -7.704 11.208 -5.903 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.355 11.243 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.399 11.959 -3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.366 11.797 -2.174 1.00 0.00 H new ATOM 994 N LYS A 75 -9.219 13.762 -3.236 1.00 0.00 N ATOM 995 CA LYS A 75 -9.436 15.197 -3.275 1.00 0.00 C ATOM 996 C LYS A 75 -8.329 15.900 -2.490 1.00 0.00 C ATOM 997 O LYS A 75 -7.747 15.315 -1.576 1.00 0.00 O ATOM 998 CB LYS A 75 -10.825 15.528 -2.701 1.00 0.00 C ATOM 999 CG LYS A 75 -11.065 17.007 -2.433 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.750 17.367 -0.987 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.653 18.866 -0.793 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.516 19.234 0.640 1.00 0.00 N ATOM 0 H LYS A 75 -9.535 13.319 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.404 15.551 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.585 15.170 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.959 14.977 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.446 17.605 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.103 17.255 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.525 16.965 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.810 16.900 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.797 19.249 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.541 19.343 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.453 20.268 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.345 18.891 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.655 18.800 1.029 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.023 17.140 -2.859 1.00 0.00 N ATOM 1013 CA GLY A 76 -6.996 17.881 -2.149 1.00 0.00 C ATOM 1014 C GLY A 76 -6.260 18.870 -3.030 1.00 0.00 C ATOM 1015 O GLY A 76 -5.715 19.855 -2.538 1.00 0.00 O ATOM 0 H GLY A 76 -8.463 17.642 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.452 18.415 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.279 17.179 -1.723 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.220 18.585 -4.323 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.560 19.456 -5.292 1.00 0.00 C ATOM 1021 C ALA A 77 -6.088 20.883 -5.210 1.00 0.00 C ATOM 1022 O ALA A 77 -5.320 21.843 -5.252 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.736 18.900 -6.695 1.00 0.00 C ATOM 0 H ALA A 77 -6.640 17.750 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.497 19.486 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.241 19.556 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.296 17.904 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.798 18.840 -6.932 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.403 21.003 -5.071 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.066 22.299 -4.978 1.00 0.00 C ATOM 1031 C ASP A 78 -9.563 22.089 -4.793 1.00 0.00 C ATOM 1032 O ASP A 78 -10.377 22.512 -5.614 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.798 23.144 -6.229 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.371 24.544 -6.123 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.327 25.133 -5.021 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -8.885 25.057 -7.139 1.00 0.00 O ATOM 0 H ASP A 78 -8.039 20.207 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.665 22.837 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.723 23.208 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.227 22.645 -7.098 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.916 21.379 -3.729 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.316 21.101 -3.445 1.00 0.00 C ATOM 1042 C GLY A 79 -11.899 20.072 -4.396 1.00 0.00 C ATOM 1043 O GLY A 79 -13.050 19.661 -4.261 1.00 0.00 O ATOM 0 H GLY A 79 -9.258 20.989 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.413 20.743 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.890 22.025 -3.515 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.084 19.646 -5.347 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.492 18.674 -6.344 1.00 0.00 C ATOM 1049 C GLN A 80 -10.633 17.423 -6.248 1.00 0.00 C ATOM 1050 O GLN A 80 -9.571 17.430 -5.610 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.381 19.277 -7.747 1.00 0.00 C ATOM 1052 CG GLN A 80 -9.986 19.768 -8.092 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.877 20.227 -9.529 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.566 19.715 -10.406 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.010 21.192 -9.781 1.00 0.00 N ATOM 0 H GLN A 80 -10.121 19.965 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.531 18.402 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.685 18.529 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.081 20.109 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.719 20.591 -7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.267 18.968 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.456 21.591 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.895 21.538 -10.734 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.095 16.362 -6.886 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.394 15.091 -6.881 1.00 0.00 C ATOM 1064 C TYR A 81 -9.694 14.857 -8.215 1.00 0.00 C ATOM 1065 O TYR A 81 -9.960 15.552 -9.198 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.383 13.953 -6.600 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.457 13.820 -7.651 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -13.611 14.592 -7.599 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -12.310 12.931 -8.705 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -14.588 14.477 -8.566 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -13.279 12.810 -9.676 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.418 13.585 -9.602 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.389 13.469 -10.569 1.00 0.00 O ATOM 0 H TYR A 81 -11.964 16.357 -7.420 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.639 15.113 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.834 13.014 -6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.852 14.120 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.745 15.293 -6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.420 12.323 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -15.481 15.082 -8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.148 12.113 -10.490 1.00 0.00 H new ATOM 0 HH TYR A 81 -15.115 12.798 -11.229 1.00 0.00 H new ATOM 1082 N HIS A 82 -8.801 13.879 -8.236 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.052 13.519 -9.435 1.00 0.00 C ATOM 1084 C HIS A 82 -7.694 12.044 -9.391 1.00 0.00 C ATOM 1085 O HIS A 82 -7.580 11.462 -8.310 1.00 0.00 O ATOM 1086 CB HIS A 82 -6.769 14.348 -9.577 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.967 15.683 -10.227 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.168 15.838 -11.581 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.982 16.931 -9.704 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.295 17.120 -11.860 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.186 17.808 -10.740 1.00 0.00 N ATOM 0 H HIS A 82 -8.573 13.310 -7.421 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.686 13.728 -10.296 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.337 14.499 -8.588 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.044 13.778 -10.158 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.857 17.189 -8.663 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.461 17.538 -12.842 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.244 18.823 -10.657 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.548 11.441 -10.559 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.197 10.031 -10.656 1.00 0.00 C ATOM 1101 C ASP A 83 -5.689 9.854 -10.534 1.00 0.00 C ATOM 1102 O ASP A 83 -4.917 10.529 -11.222 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.685 9.446 -11.986 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.195 9.470 -12.126 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -9.743 10.515 -12.538 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -9.845 8.441 -11.837 1.00 0.00 O ATOM 0 H ASP A 83 -7.667 11.907 -11.458 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.685 9.498 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.241 10.007 -12.808 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.334 8.418 -12.075 1.00 0.00 H new ATOM 1110 N SER A 84 -5.264 8.958 -9.654 1.00 0.00 N ATOM 1111 CA SER A 84 -3.845 8.714 -9.457 1.00 0.00 C ATOM 1112 C SER A 84 -3.577 7.266 -9.074 1.00 0.00 C ATOM 1113 O SER A 84 -4.502 6.499 -8.805 1.00 0.00 O ATOM 1114 CB SER A 84 -3.301 9.656 -8.387 1.00 0.00 C ATOM 1115 OG SER A 84 -4.060 9.574 -7.193 1.00 0.00 O ATOM 0 H SER A 84 -5.879 8.392 -9.069 1.00 0.00 H new ATOM 0 HA SER A 84 -3.333 8.906 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.261 9.408 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.316 10.680 -8.760 1.00 0.00 H new ATOM 0 HG SER A 84 -4.790 10.227 -7.224 1.00 0.00 H new ATOM 1120 N SER A 85 -2.306 6.897 -9.063 1.00 0.00 N ATOM 1121 CA SER A 85 -1.903 5.549 -8.713 1.00 0.00 C ATOM 1122 C SER A 85 -0.682 5.593 -7.810 1.00 0.00 C ATOM 1123 O SER A 85 -0.026 6.627 -7.688 1.00 0.00 O ATOM 1124 CB SER A 85 -1.591 4.728 -9.958 1.00 0.00 C ATOM 1125 OG SER A 85 -2.278 5.235 -11.091 1.00 0.00 O ATOM 0 H SER A 85 -1.532 7.520 -9.295 1.00 0.00 H new ATOM 0 HA SER A 85 -2.731 5.073 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.517 4.740 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.875 3.689 -9.792 1.00 0.00 H new ATOM 0 HG SER A 85 -2.059 4.691 -11.877 1.00 0.00 H new ATOM 1130 N MET A 86 -0.386 4.474 -7.184 1.00 0.00 N ATOM 1131 CA MET A 86 0.734 4.377 -6.277 1.00 0.00 C ATOM 1132 C MET A 86 1.396 3.014 -6.393 1.00 0.00 C ATOM 1133 O MET A 86 0.785 1.998 -6.069 1.00 0.00 O ATOM 1134 CB MET A 86 0.229 4.588 -4.852 1.00 0.00 C ATOM 1135 CG MET A 86 1.313 4.559 -3.796 1.00 0.00 C ATOM 1136 SD MET A 86 2.607 5.756 -4.145 1.00 0.00 S ATOM 1137 CE MET A 86 3.960 4.662 -4.537 1.00 0.00 C ATOM 0 H MET A 86 -0.915 3.608 -7.290 1.00 0.00 H new ATOM 0 HA MET A 86 1.472 5.138 -6.529 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.287 5.547 -4.800 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.507 3.817 -4.622 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.876 4.768 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.745 3.560 -3.744 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.824 4.918 -3.924 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.665 3.632 -4.336 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.219 4.766 -5.591 1.00 0.00 H new ATOM 1145 N ASP A 87 2.625 2.985 -6.884 1.00 0.00 N ATOM 1146 CA ASP A 87 3.353 1.732 -7.000 1.00 0.00 C ATOM 1147 C ASP A 87 3.760 1.282 -5.603 1.00 0.00 C ATOM 1148 O ASP A 87 4.707 1.803 -5.017 1.00 0.00 O ATOM 1149 CB ASP A 87 4.583 1.910 -7.892 1.00 0.00 C ATOM 1150 CG ASP A 87 5.151 0.593 -8.372 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.443 -0.135 -9.101 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.317 0.295 -8.049 1.00 0.00 O ATOM 0 H ASP A 87 3.136 3.807 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 87 2.719 0.974 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.316 2.522 -8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.351 2.453 -7.341 1.00 0.00 H new ATOM 1156 N LEU A 88 3.054 0.295 -5.082 1.00 0.00 N ATOM 1157 CA LEU A 88 3.297 -0.199 -3.733 1.00 0.00 C ATOM 1158 C LEU A 88 4.535 -1.069 -3.680 1.00 0.00 C ATOM 1159 O LEU A 88 4.966 -1.479 -2.602 1.00 0.00 O ATOM 1160 CB LEU A 88 2.095 -0.986 -3.223 1.00 0.00 C ATOM 1161 CG LEU A 88 0.722 -0.374 -3.523 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.384 -1.267 -2.981 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.613 1.025 -2.927 1.00 0.00 C ATOM 0 H LEU A 88 2.301 -0.185 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 88 3.456 0.668 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.129 -1.986 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.192 -1.103 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 88 0.611 -0.295 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.353 -0.820 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.322 -2.249 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.270 -1.373 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.369 1.441 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.746 0.972 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.384 1.664 -3.356 1.00 0.00 H new ATOM 1174 N ASN A 89 5.079 -1.383 -4.846 1.00 0.00 N ATOM 1175 CA ASN A 89 6.289 -2.201 -4.939 1.00 0.00 C ATOM 1176 C ASN A 89 7.389 -1.681 -4.021 1.00 0.00 C ATOM 1177 O ASN A 89 8.218 -2.453 -3.537 1.00 0.00 O ATOM 1178 CB ASN A 89 6.807 -2.244 -6.376 1.00 0.00 C ATOM 1179 CG ASN A 89 6.064 -3.248 -7.232 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.011 -2.945 -7.788 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.616 -4.445 -7.358 1.00 0.00 N ATOM 0 H ASN A 89 4.704 -1.085 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 89 6.019 -3.208 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.715 -1.253 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.868 -2.493 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.166 -5.156 -7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.492 -4.656 -6.879 1.00 0.00 H new ATOM 1187 N TYR A 90 7.389 -0.381 -3.756 1.00 0.00 N ATOM 1188 CA TYR A 90 8.400 0.196 -2.892 1.00 0.00 C ATOM 1189 C TYR A 90 7.775 0.804 -1.643 1.00 0.00 C ATOM 1190 O TYR A 90 8.366 1.673 -0.997 1.00 0.00 O ATOM 1191 CB TYR A 90 9.264 1.216 -3.649 1.00 0.00 C ATOM 1192 CG TYR A 90 8.515 2.361 -4.296 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.996 2.249 -5.583 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.366 3.572 -3.634 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.355 3.310 -6.185 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.718 4.635 -4.229 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.216 4.500 -5.506 1.00 0.00 C ATOM 1198 OH TYR A 90 6.581 5.563 -6.111 1.00 0.00 O ATOM 0 H TYR A 90 6.708 0.283 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 90 9.060 -0.609 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.995 1.631 -2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.822 0.688 -4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.097 1.316 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.764 3.684 -2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.963 3.209 -7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.605 5.568 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 90 6.344 6.231 -5.434 1.00 0.00 H new ATOM 1207 N VAL A 91 6.566 0.355 -1.307 1.00 0.00 N ATOM 1208 CA VAL A 91 5.894 0.839 -0.106 1.00 0.00 C ATOM 1209 C VAL A 91 5.406 -0.337 0.751 1.00 0.00 C ATOM 1210 O VAL A 91 5.065 -0.165 1.920 1.00 0.00 O ATOM 1211 CB VAL A 91 4.739 1.836 -0.406 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.098 2.765 -1.534 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.422 1.165 -0.692 1.00 0.00 C ATOM 0 H VAL A 91 6.039 -0.334 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 91 6.635 1.403 0.460 1.00 0.00 H new ATOM 0 HB VAL A 91 4.608 2.412 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.270 3.449 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.987 3.335 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.297 2.184 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.664 1.922 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.525 0.516 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.122 0.570 0.171 1.00 0.00 H new ATOM 1223 N VAL A 92 5.382 -1.534 0.158 1.00 0.00 N ATOM 1224 CA VAL A 92 4.977 -2.750 0.865 1.00 0.00 C ATOM 1225 C VAL A 92 5.975 -3.863 0.575 1.00 0.00 C ATOM 1226 O VAL A 92 6.531 -3.929 -0.523 1.00 0.00 O ATOM 1227 CB VAL A 92 3.582 -3.268 0.441 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.031 -4.243 1.471 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.604 -2.138 0.209 1.00 0.00 C ATOM 0 H VAL A 92 5.640 -1.686 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 92 4.943 -2.488 1.922 1.00 0.00 H new ATOM 0 HB VAL A 92 3.709 -3.792 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.050 -4.594 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.707 -5.093 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.941 -3.742 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.638 -2.548 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.488 -1.563 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.980 -1.488 -0.581 1.00 0.00 H new ATOM 1239 N GLY A 93 6.197 -4.739 1.545 1.00 0.00 N ATOM 1240 CA GLY A 93 7.117 -5.838 1.350 1.00 0.00 C ATOM 1241 C GLY A 93 6.653 -7.101 2.043 1.00 0.00 C ATOM 1242 O GLY A 93 5.971 -7.039 3.068 1.00 0.00 O ATOM 0 H GLY A 93 5.755 -4.707 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.229 -6.031 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.100 -5.558 1.728 1.00 0.00 H new ATOM 1246 N ASN A 94 7.007 -8.247 1.479 1.00 0.00 N ATOM 1247 CA ASN A 94 6.631 -9.531 2.055 1.00 0.00 C ATOM 1248 C ASN A 94 7.690 -9.990 3.041 1.00 0.00 C ATOM 1249 O ASN A 94 8.837 -10.237 2.664 1.00 0.00 O ATOM 1250 CB ASN A 94 6.463 -10.590 0.966 1.00 0.00 C ATOM 1251 CG ASN A 94 6.221 -11.978 1.541 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.566 -12.140 2.571 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.778 -12.987 0.897 1.00 0.00 N ATOM 0 H ASN A 94 7.555 -8.314 0.621 1.00 0.00 H new ATOM 0 HA ASN A 94 5.679 -9.403 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.628 -10.316 0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.355 -10.609 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.672 -13.938 1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.314 -12.815 0.046 1.00 0.00 H new ATOM 1259 N SER A 95 7.311 -10.107 4.295 1.00 0.00 N ATOM 1260 CA SER A 95 8.238 -10.530 5.321 1.00 0.00 C ATOM 1261 C SER A 95 7.809 -11.851 5.946 1.00 0.00 C ATOM 1262 O SER A 95 7.144 -11.868 6.979 1.00 0.00 O ATOM 1263 CB SER A 95 8.353 -9.446 6.385 1.00 0.00 C ATOM 1264 OG SER A 95 8.889 -8.250 5.836 1.00 0.00 O ATOM 0 H SER A 95 6.366 -9.915 4.629 1.00 0.00 H new ATOM 0 HA SER A 95 9.214 -10.688 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.371 -9.246 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.990 -9.795 7.198 1.00 0.00 H new ATOM 0 HG SER A 95 9.101 -7.624 6.560 1.00 0.00 H new ATOM 1269 N TYR A 96 8.187 -12.954 5.294 1.00 0.00 N ATOM 1270 CA TYR A 96 7.871 -14.299 5.776 1.00 0.00 C ATOM 1271 C TYR A 96 6.367 -14.527 5.847 1.00 0.00 C ATOM 1272 O TYR A 96 5.839 -14.927 6.887 1.00 0.00 O ATOM 1273 CB TYR A 96 8.505 -14.541 7.150 1.00 0.00 C ATOM 1274 CG TYR A 96 10.015 -14.547 7.125 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.708 -15.604 6.558 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.748 -13.492 7.655 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.087 -15.616 6.520 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.129 -13.496 7.620 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.793 -14.561 7.052 1.00 0.00 C ATOM 1280 OH TYR A 96 14.168 -14.568 7.011 1.00 0.00 O ATOM 0 H TYR A 96 8.717 -12.939 4.423 1.00 0.00 H new ATOM 0 HA TYR A 96 8.287 -15.010 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.164 -13.769 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.152 -15.495 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.159 -16.434 6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.230 -12.656 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.610 -16.449 6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.685 -12.669 8.036 1.00 0.00 H new ATOM 0 HH TYR A 96 14.512 -13.750 7.428 1.00 0.00 H new ATOM 1289 N GLY A 97 5.685 -14.290 4.730 1.00 0.00 N ATOM 1290 CA GLY A 97 4.248 -14.465 4.683 1.00 0.00 C ATOM 1291 C GLY A 97 3.538 -13.582 5.685 1.00 0.00 C ATOM 1292 O GLY A 97 2.456 -13.923 6.168 1.00 0.00 O ATOM 0 H GLY A 97 6.106 -13.979 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.887 -14.238 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.003 -15.508 4.881 1.00 0.00 H new ATOM 1296 N TYR A 98 4.155 -12.455 6.001 1.00 0.00 N ATOM 1297 CA TYR A 98 3.593 -11.522 6.954 1.00 0.00 C ATOM 1298 C TYR A 98 3.603 -10.121 6.364 1.00 0.00 C ATOM 1299 O TYR A 98 4.544 -9.739 5.659 1.00 0.00 O ATOM 1300 CB TYR A 98 4.385 -11.565 8.262 1.00 0.00 C ATOM 1301 CG TYR A 98 3.628 -11.003 9.442 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.478 -11.629 9.902 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.061 -9.856 10.096 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.778 -11.130 10.981 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.365 -9.350 11.177 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.224 -9.991 11.614 1.00 0.00 C ATOM 1307 OH TYR A 98 1.526 -9.496 12.693 1.00 0.00 O ATOM 0 H TYR A 98 5.050 -12.166 5.607 1.00 0.00 H new ATOM 0 HA TYR A 98 2.562 -11.803 7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.662 -12.597 8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.312 -11.006 8.135 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.125 -12.522 9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.954 -9.353 9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.885 -11.630 11.327 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.712 -8.458 11.677 1.00 0.00 H new ATOM 0 HH TYR A 98 1.970 -8.689 13.028 1.00 0.00 H new ATOM 1316 N MET A 99 2.554 -9.367 6.648 1.00 0.00 N ATOM 1317 CA MET A 99 2.417 -8.017 6.133 1.00 0.00 C ATOM 1318 C MET A 99 3.335 -7.023 6.845 1.00 0.00 C ATOM 1319 O MET A 99 3.107 -6.644 7.997 1.00 0.00 O ATOM 1320 CB MET A 99 0.954 -7.553 6.211 1.00 0.00 C ATOM 1321 CG MET A 99 0.381 -7.406 7.619 1.00 0.00 C ATOM 1322 SD MET A 99 0.258 -8.963 8.521 1.00 0.00 S ATOM 1323 CE MET A 99 -0.579 -8.416 10.007 1.00 0.00 C ATOM 0 H MET A 99 1.779 -9.671 7.238 1.00 0.00 H new ATOM 0 HA MET A 99 2.725 -8.043 5.088 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.869 -6.593 5.702 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.337 -8.262 5.660 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.007 -6.717 8.186 1.00 0.00 H new ATOM 0 HG3 MET A 99 -0.610 -6.956 7.553 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.731 -9.266 10.673 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.028 -7.664 10.511 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.545 -7.985 9.743 1.00 0.00 H new ATOM 1331 N GLU A 100 4.380 -6.608 6.147 1.00 0.00 N ATOM 1332 CA GLU A 100 5.320 -5.631 6.675 1.00 0.00 C ATOM 1333 C GLU A 100 5.671 -4.625 5.585 1.00 0.00 C ATOM 1334 O GLU A 100 6.713 -4.720 4.939 1.00 0.00 O ATOM 1335 CB GLU A 100 6.586 -6.292 7.225 1.00 0.00 C ATOM 1336 CG GLU A 100 6.340 -7.135 8.467 1.00 0.00 C ATOM 1337 CD GLU A 100 7.588 -7.324 9.301 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.028 -6.352 9.946 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.128 -8.449 9.333 1.00 0.00 O ATOM 0 H GLU A 100 4.600 -6.935 5.206 1.00 0.00 H new ATOM 0 HA GLU A 100 4.843 -5.116 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.024 -6.921 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.318 -5.519 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.570 -6.662 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.956 -8.111 8.169 1.00 0.00 H new ATOM 1344 N PRO A 101 4.767 -3.665 5.354 1.00 0.00 N ATOM 1345 CA PRO A 101 4.941 -2.623 4.336 1.00 0.00 C ATOM 1346 C PRO A 101 6.097 -1.680 4.646 1.00 0.00 C ATOM 1347 O PRO A 101 6.006 -0.825 5.527 1.00 0.00 O ATOM 1348 CB PRO A 101 3.605 -1.874 4.365 1.00 0.00 C ATOM 1349 CG PRO A 101 3.052 -2.138 5.717 1.00 0.00 C ATOM 1350 CD PRO A 101 3.492 -3.521 6.075 1.00 0.00 C ATOM 0 HA PRO A 101 5.188 -3.046 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.746 -0.806 4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.933 -2.233 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.422 -1.411 6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.965 -2.062 5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.623 -3.636 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.765 -4.269 5.760 1.00 0.00 H new ATOM 1355 N CYS A 102 7.188 -1.854 3.926 1.00 0.00 N ATOM 1356 CA CYS A 102 8.358 -1.019 4.103 1.00 0.00 C ATOM 1357 C CYS A 102 8.443 0.015 2.983 1.00 0.00 C ATOM 1358 O CYS A 102 8.504 -0.334 1.806 1.00 0.00 O ATOM 1359 CB CYS A 102 9.621 -1.885 4.147 1.00 0.00 C ATOM 1360 SG CYS A 102 9.560 -3.353 3.064 1.00 0.00 S ATOM 0 H CYS A 102 7.288 -2.572 3.208 1.00 0.00 H new ATOM 0 HA CYS A 102 8.275 -0.487 5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.477 -1.273 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.789 -2.211 5.173 1.00 0.00 H new