USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 923 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 33 LYS NZ :NH3+ -141:sc= 0.393 (180deg=-0.0301) USER MOD Set 1.2: A 52 CYS SG : rot 180:sc= 0.373 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 1.18 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 22 TYR OH : rot 60:sc= -0.436 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -130:sc= -4.48! (180deg=-6.17!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= -0.449 (180deg=-1.12) USER MOD Single : A 36 ASN : amide:sc= -0.151 X(o=-0.15,f=0.022) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -114:sc= 0.0531 (180deg=-1.11) USER MOD Single : A 45 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.015) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 47 CYS SG : rot -30:sc= -1.4 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 51 ASN : amide:sc= -0.0648 K(o=-0.065,f=-1.6) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.31) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 79:sc= 0.844 USER MOD Single : A 65 ASN : amide:sc= -1.91 X(o=-1.9,f=-1.4) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -132:sc= -1.15 (180deg=-3.12!) USER MOD Single : A 74 SER OG : rot 86:sc= -1.07 USER MOD Single : A 75 SER OG : rot 38:sc= 0.801 USER MOD Single : A 78 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.043 USER MOD Single : A 83 GLN : amide:sc= 0.0457 X(o=0.046,f=-0.31) USER MOD Single : A 88 MET CE :methyl 180:sc= -0.0113 (180deg=-0.0113) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -38:sc= 0.0233 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 104 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.3!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= 0.144 USER MOD Single : A 121 ASN : amide:sc= -0.359 K(o=-0.36,f=-0.95) USER MOD Single : A 122 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.351 21.032 10.639 1.00 0.00 N ATOM 2 CA GLY A 1 -12.389 21.697 9.780 1.00 0.00 C ATOM 3 C GLY A 1 -11.138 22.115 10.526 1.00 0.00 C ATOM 4 O GLY A 1 -11.215 22.656 11.629 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.188 20.766 10.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.920 20.177 11.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.635 21.675 11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.115 21.030 8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.853 22.576 9.333 1.00 0.00 H new ATOM 8 N SER A 2 -9.980 21.862 9.924 1.00 0.00 N ATOM 9 CA SER A 2 -8.705 22.210 10.542 1.00 0.00 C ATOM 10 C SER A 2 -7.569 22.126 9.527 1.00 0.00 C ATOM 11 O SER A 2 -7.537 21.226 8.688 1.00 0.00 O ATOM 12 CB SER A 2 -8.417 21.284 11.725 1.00 0.00 C ATOM 13 OG SER A 2 -8.999 21.783 12.916 1.00 0.00 O ATOM 0 H SER A 2 -9.898 21.418 9.010 1.00 0.00 H new ATOM 0 HA SER A 2 -8.772 23.237 10.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.808 20.288 11.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.340 21.182 11.858 1.00 0.00 H new ATOM 0 HG SER A 2 -9.871 22.182 12.712 1.00 0.00 H new ATOM 19 N SER A 3 -6.639 23.072 9.610 1.00 0.00 N ATOM 20 CA SER A 3 -5.502 23.108 8.697 1.00 0.00 C ATOM 21 C SER A 3 -4.312 23.815 9.339 1.00 0.00 C ATOM 22 O SER A 3 -4.474 24.617 10.258 1.00 0.00 O ATOM 23 CB SER A 3 -5.888 23.814 7.396 1.00 0.00 C ATOM 24 OG SER A 3 -4.757 24.008 6.565 1.00 0.00 O ATOM 0 H SER A 3 -6.650 23.823 10.300 1.00 0.00 H new ATOM 0 HA SER A 3 -5.215 22.081 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.635 23.223 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.345 24.777 7.623 1.00 0.00 H new ATOM 0 HG SER A 3 -5.031 24.459 5.740 1.00 0.00 H new ATOM 30 N GLY A 4 -3.115 23.511 8.846 1.00 0.00 N ATOM 31 CA GLY A 4 -1.915 24.125 9.383 1.00 0.00 C ATOM 32 C GLY A 4 -0.696 23.867 8.519 1.00 0.00 C ATOM 33 O GLY A 4 -0.772 23.144 7.526 1.00 0.00 O ATOM 0 H GLY A 4 -2.955 22.851 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.070 25.200 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.733 23.742 10.387 1.00 0.00 H new ATOM 37 N SER A 5 0.432 24.461 8.897 1.00 0.00 N ATOM 38 CA SER A 5 1.671 24.296 8.146 1.00 0.00 C ATOM 39 C SER A 5 2.857 24.857 8.926 1.00 0.00 C ATOM 40 O SER A 5 2.789 25.957 9.474 1.00 0.00 O ATOM 41 CB SER A 5 1.565 24.990 6.787 1.00 0.00 C ATOM 42 OG SER A 5 1.444 26.394 6.939 1.00 0.00 O ATOM 0 H SER A 5 0.513 25.060 9.718 1.00 0.00 H new ATOM 0 HA SER A 5 1.833 23.230 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.447 24.761 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.702 24.604 6.244 1.00 0.00 H new ATOM 0 HG SER A 5 1.380 26.814 6.056 1.00 0.00 H new ATOM 48 N SER A 6 3.943 24.092 8.970 1.00 0.00 N ATOM 49 CA SER A 6 5.143 24.510 9.685 1.00 0.00 C ATOM 50 C SER A 6 6.395 24.220 8.862 1.00 0.00 C ATOM 51 O SER A 6 6.403 23.323 8.019 1.00 0.00 O ATOM 52 CB SER A 6 5.231 23.798 11.036 1.00 0.00 C ATOM 53 OG SER A 6 6.336 24.267 11.789 1.00 0.00 O ATOM 0 H SER A 6 4.017 23.180 8.519 1.00 0.00 H new ATOM 0 HA SER A 6 5.080 25.585 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.310 23.960 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.324 22.723 10.879 1.00 0.00 H new ATOM 0 HG SER A 6 6.369 23.798 12.649 1.00 0.00 H new ATOM 59 N GLY A 7 7.451 24.986 9.112 1.00 0.00 N ATOM 60 CA GLY A 7 8.694 24.797 8.387 1.00 0.00 C ATOM 61 C GLY A 7 8.928 25.874 7.346 1.00 0.00 C ATOM 62 O GLY A 7 7.980 26.388 6.751 1.00 0.00 O ATOM 0 H GLY A 7 7.469 25.735 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.525 24.791 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.682 23.822 7.900 1.00 0.00 H new ATOM 66 N ARG A 8 10.192 26.217 7.126 1.00 0.00 N ATOM 67 CA ARG A 8 10.547 27.242 6.151 1.00 0.00 C ATOM 68 C ARG A 8 10.589 26.661 4.741 1.00 0.00 C ATOM 69 O ARG A 8 9.811 27.056 3.873 1.00 0.00 O ATOM 70 CB ARG A 8 11.902 27.860 6.500 1.00 0.00 C ATOM 71 CG ARG A 8 12.060 29.293 6.019 1.00 0.00 C ATOM 72 CD ARG A 8 11.127 30.236 6.762 1.00 0.00 C ATOM 73 NE ARG A 8 11.620 31.611 6.757 1.00 0.00 N ATOM 74 CZ ARG A 8 10.899 32.652 7.158 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.659 32.475 7.594 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.417 33.873 7.123 1.00 0.00 N ATOM 0 H ARG A 8 10.988 25.801 7.609 1.00 0.00 H new ATOM 0 HA ARG A 8 9.782 28.018 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.037 27.832 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.693 27.250 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.092 29.614 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.855 29.344 4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.139 30.204 6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.012 29.896 7.791 1.00 0.00 H new ATOM 0 HE ARG A 8 12.570 31.781 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.257 31.538 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.107 33.276 7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.370 34.013 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.862 34.671 7.431 1.00 0.00 H new ATOM 90 N SER A 9 11.502 25.721 4.521 1.00 0.00 N ATOM 91 CA SER A 9 11.649 25.088 3.216 1.00 0.00 C ATOM 92 C SER A 9 10.588 24.010 3.013 1.00 0.00 C ATOM 93 O SER A 9 9.831 23.688 3.929 1.00 0.00 O ATOM 94 CB SER A 9 13.045 24.478 3.074 1.00 0.00 C ATOM 95 OG SER A 9 13.437 24.412 1.714 1.00 0.00 O ATOM 0 H SER A 9 12.151 25.381 5.230 1.00 0.00 H new ATOM 0 HA SER A 9 11.516 25.854 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.765 25.075 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.054 23.478 3.507 1.00 0.00 H new ATOM 0 HG SER A 9 14.333 24.020 1.650 1.00 0.00 H new ATOM 101 N ILE A 10 10.541 23.456 1.806 1.00 0.00 N ATOM 102 CA ILE A 10 9.574 22.413 1.482 1.00 0.00 C ATOM 103 C ILE A 10 10.256 21.216 0.829 1.00 0.00 C ATOM 104 O ILE A 10 10.819 21.326 -0.260 1.00 0.00 O ATOM 105 CB ILE A 10 8.473 22.939 0.542 1.00 0.00 C ATOM 106 CG1 ILE A 10 7.981 24.309 1.013 1.00 0.00 C ATOM 107 CG2 ILE A 10 7.319 21.950 0.473 1.00 0.00 C ATOM 108 CD1 ILE A 10 8.807 25.461 0.486 1.00 0.00 C ATOM 0 H ILE A 10 11.160 23.711 1.037 1.00 0.00 H new ATOM 0 HA ILE A 10 9.119 22.101 2.422 1.00 0.00 H new ATOM 0 HB ILE A 10 8.892 23.049 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.945 24.442 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.990 24.334 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.549 22.336 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.681 20.994 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.899 21.811 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.401 26.401 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.838 25.352 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.778 25.461 -0.604 1.00 0.00 H new ATOM 120 N ARG A 11 10.199 20.071 1.501 1.00 0.00 N ATOM 121 CA ARG A 11 10.810 18.851 0.986 1.00 0.00 C ATOM 122 C ARG A 11 9.861 18.127 0.037 1.00 0.00 C ATOM 123 O ARG A 11 10.255 17.708 -1.053 1.00 0.00 O ATOM 124 CB ARG A 11 11.201 17.925 2.139 1.00 0.00 C ATOM 125 CG ARG A 11 12.448 18.373 2.885 1.00 0.00 C ATOM 126 CD ARG A 11 13.712 18.031 2.111 1.00 0.00 C ATOM 127 NE ARG A 11 14.060 19.069 1.145 1.00 0.00 N ATOM 128 CZ ARG A 11 15.210 19.100 0.481 1.00 0.00 C ATOM 129 NH1 ARG A 11 16.118 18.154 0.678 1.00 0.00 N ATOM 130 NH2 ARG A 11 15.453 20.078 -0.382 1.00 0.00 N ATOM 0 H ARG A 11 9.736 19.962 2.403 1.00 0.00 H new ATOM 0 HA ARG A 11 11.707 19.129 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.370 17.863 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.363 16.921 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.404 19.449 3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.479 17.895 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.538 17.893 2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.573 17.083 1.591 1.00 0.00 H new ATOM 0 HE ARG A 11 13.383 19.811 0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.934 17.401 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.000 18.180 0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.756 20.807 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.336 20.101 -0.891 1.00 0.00 H new ATOM 144 N LEU A 12 8.609 17.981 0.457 1.00 0.00 N ATOM 145 CA LEU A 12 7.603 17.306 -0.355 1.00 0.00 C ATOM 146 C LEU A 12 6.883 18.297 -1.264 1.00 0.00 C ATOM 147 O LEU A 12 6.833 19.498 -0.998 1.00 0.00 O ATOM 148 CB LEU A 12 6.591 16.590 0.541 1.00 0.00 C ATOM 149 CG LEU A 12 7.058 15.273 1.161 1.00 0.00 C ATOM 150 CD1 LEU A 12 5.926 14.618 1.938 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.582 14.333 0.085 1.00 0.00 C ATOM 0 H LEU A 12 8.266 18.321 1.355 1.00 0.00 H new ATOM 0 HA LEU A 12 8.110 16.570 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.306 17.267 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.692 16.395 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 12 7.871 15.488 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.277 13.682 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.597 15.286 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.092 14.416 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.910 13.401 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.789 14.124 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.423 14.800 -0.428 1.00 0.00 H new ATOM 163 N PRO A 13 6.310 17.784 -2.363 1.00 0.00 N ATOM 164 CA PRO A 13 5.579 18.606 -3.332 1.00 0.00 C ATOM 165 C PRO A 13 4.262 19.131 -2.770 1.00 0.00 C ATOM 166 O PRO A 13 3.270 18.406 -2.712 1.00 0.00 O ATOM 167 CB PRO A 13 5.320 17.641 -4.491 1.00 0.00 C ATOM 168 CG PRO A 13 5.336 16.288 -3.869 1.00 0.00 C ATOM 169 CD PRO A 13 6.330 16.362 -2.744 1.00 0.00 C ATOM 0 HA PRO A 13 6.140 19.496 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.362 17.845 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.087 17.732 -5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.347 16.017 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.624 15.528 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.043 15.719 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.323 16.046 -3.064 1.00 0.00 H new ATOM 177 N GLU A 14 4.261 20.395 -2.360 1.00 0.00 N ATOM 178 CA GLU A 14 3.064 21.016 -1.803 1.00 0.00 C ATOM 179 C GLU A 14 1.888 20.890 -2.766 1.00 0.00 C ATOM 180 O GLU A 14 0.728 20.889 -2.352 1.00 0.00 O ATOM 181 CB GLU A 14 3.326 22.490 -1.490 1.00 0.00 C ATOM 182 CG GLU A 14 3.402 23.371 -2.726 1.00 0.00 C ATOM 183 CD GLU A 14 2.046 23.899 -3.150 1.00 0.00 C ATOM 184 OE1 GLU A 14 1.024 23.327 -2.714 1.00 0.00 O ATOM 185 OE2 GLU A 14 2.005 24.883 -3.917 1.00 0.00 O ATOM 0 H GLU A 14 5.074 21.009 -2.403 1.00 0.00 H new ATOM 0 HA GLU A 14 2.812 20.496 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.535 22.860 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.261 22.574 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.069 24.210 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.839 22.802 -3.547 1.00 0.00 H new ATOM 192 N THR A 15 2.194 20.785 -4.055 1.00 0.00 N ATOM 193 CA THR A 15 1.164 20.661 -5.079 1.00 0.00 C ATOM 194 C THR A 15 0.588 19.250 -5.110 1.00 0.00 C ATOM 195 O THR A 15 -0.200 18.911 -5.994 1.00 0.00 O ATOM 196 CB THR A 15 1.713 21.011 -6.474 1.00 0.00 C ATOM 197 OG1 THR A 15 2.962 20.344 -6.690 1.00 0.00 O ATOM 198 CG2 THR A 15 1.902 22.513 -6.621 1.00 0.00 C ATOM 0 H THR A 15 3.148 20.783 -4.415 1.00 0.00 H new ATOM 0 HA THR A 15 0.375 21.367 -4.821 1.00 0.00 H new ATOM 0 HB THR A 15 0.990 20.678 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.304 20.570 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.291 22.735 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.944 23.015 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.607 22.866 -5.868 1.00 0.00 H new ATOM 206 N ILE A 16 0.986 18.431 -4.142 1.00 0.00 N ATOM 207 CA ILE A 16 0.507 17.057 -4.059 1.00 0.00 C ATOM 208 C ILE A 16 0.195 16.670 -2.618 1.00 0.00 C ATOM 209 O ILE A 16 0.712 17.271 -1.677 1.00 0.00 O ATOM 210 CB ILE A 16 1.537 16.067 -4.634 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.059 16.565 -5.983 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.919 14.684 -4.778 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.220 15.757 -6.518 1.00 0.00 C ATOM 0 H ILE A 16 1.639 18.695 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.406 17.004 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 16 2.377 15.999 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.246 16.542 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.367 17.606 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.659 13.995 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.592 14.328 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.063 14.736 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.538 16.167 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.049 15.800 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.911 14.720 -6.651 1.00 0.00 H new ATOM 225 N ASP A 17 -0.652 15.660 -2.453 1.00 0.00 N ATOM 226 CA ASP A 17 -1.031 15.189 -1.126 1.00 0.00 C ATOM 227 C ASP A 17 -0.941 13.669 -1.042 1.00 0.00 C ATOM 228 O ASP A 17 -1.774 12.955 -1.602 1.00 0.00 O ATOM 229 CB ASP A 17 -2.450 15.648 -0.784 1.00 0.00 C ATOM 230 CG ASP A 17 -2.877 15.222 0.606 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.208 14.031 0.787 1.00 0.00 O ATOM 232 OD2 ASP A 17 -2.880 16.079 1.514 1.00 0.00 O ATOM 0 H ASP A 17 -1.089 15.152 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.335 15.616 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.506 16.734 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.147 15.240 -1.516 1.00 0.00 H new ATOM 237 N LEU A 18 0.076 13.179 -0.341 1.00 0.00 N ATOM 238 CA LEU A 18 0.276 11.743 -0.185 1.00 0.00 C ATOM 239 C LEU A 18 -1.060 11.010 -0.124 1.00 0.00 C ATOM 240 O LEU A 18 -1.298 10.068 -0.879 1.00 0.00 O ATOM 241 CB LEU A 18 1.087 11.455 1.080 1.00 0.00 C ATOM 242 CG LEU A 18 2.604 11.380 0.902 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.310 11.661 2.219 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.010 10.018 0.358 1.00 0.00 C ATOM 0 H LEU A 18 0.775 13.755 0.128 1.00 0.00 H new ATOM 0 HA LEU A 18 0.828 11.382 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.865 12.230 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.743 10.510 1.500 1.00 0.00 H new ATOM 0 HG LEU A 18 2.904 12.141 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.389 11.603 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.044 12.658 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.004 10.923 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.093 9.982 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.697 9.240 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.532 9.855 -0.608 1.00 0.00 H new ATOM 256 N GLY A 19 -1.930 11.450 0.780 1.00 0.00 N ATOM 257 CA GLY A 19 -3.232 10.826 0.922 1.00 0.00 C ATOM 258 C GLY A 19 -3.921 10.612 -0.411 1.00 0.00 C ATOM 259 O GLY A 19 -4.385 9.512 -0.708 1.00 0.00 O ATOM 0 H GLY A 19 -1.756 12.228 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.119 9.867 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.862 11.448 1.557 1.00 0.00 H new ATOM 263 N ALA A 20 -3.989 11.667 -1.217 1.00 0.00 N ATOM 264 CA ALA A 20 -4.625 11.590 -2.526 1.00 0.00 C ATOM 265 C ALA A 20 -3.869 10.640 -3.448 1.00 0.00 C ATOM 266 O ALA A 20 -4.473 9.924 -4.249 1.00 0.00 O ATOM 267 CB ALA A 20 -4.717 12.974 -3.151 1.00 0.00 C ATOM 0 H ALA A 20 -3.611 12.586 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.633 11.198 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.194 12.901 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.307 13.626 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.715 13.388 -3.266 1.00 0.00 H new ATOM 273 N LEU A 21 -2.546 10.637 -3.331 1.00 0.00 N ATOM 274 CA LEU A 21 -1.707 9.775 -4.156 1.00 0.00 C ATOM 275 C LEU A 21 -1.975 8.304 -3.854 1.00 0.00 C ATOM 276 O LEU A 21 -2.234 7.511 -4.759 1.00 0.00 O ATOM 277 CB LEU A 21 -0.229 10.094 -3.923 1.00 0.00 C ATOM 278 CG LEU A 21 0.760 9.433 -4.884 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.138 8.204 -5.528 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.213 10.423 -5.947 1.00 0.00 C ATOM 0 H LEU A 21 -2.031 11.222 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.953 9.963 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.097 11.174 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.030 9.798 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 21 1.634 9.116 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.856 7.747 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.136 7.487 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.753 8.496 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.916 9.936 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.348 10.770 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.699 11.273 -5.469 1.00 0.00 H new ATOM 292 N TYR A 22 -1.912 7.948 -2.576 1.00 0.00 N ATOM 293 CA TYR A 22 -2.148 6.572 -2.154 1.00 0.00 C ATOM 294 C TYR A 22 -3.458 6.042 -2.730 1.00 0.00 C ATOM 295 O TYR A 22 -3.580 4.855 -3.036 1.00 0.00 O ATOM 296 CB TYR A 22 -2.177 6.482 -0.627 1.00 0.00 C ATOM 297 CG TYR A 22 -2.870 5.244 -0.106 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.228 4.011 -0.110 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.166 5.305 0.390 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.857 2.877 0.364 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.802 4.176 0.868 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.144 2.964 0.853 1.00 0.00 C ATOM 303 OH TYR A 22 -4.775 1.837 1.326 1.00 0.00 O ATOM 0 H TYR A 22 -1.700 8.592 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.331 5.958 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.154 6.501 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.679 7.364 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.220 3.939 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.685 6.252 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.344 1.927 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.809 4.242 1.252 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.261 1.463 2.072 1.00 0.00 H new ATOM 313 N LEU A 23 -4.434 6.930 -2.876 1.00 0.00 N ATOM 314 CA LEU A 23 -5.736 6.554 -3.416 1.00 0.00 C ATOM 315 C LEU A 23 -5.618 6.135 -4.878 1.00 0.00 C ATOM 316 O LEU A 23 -6.235 5.160 -5.306 1.00 0.00 O ATOM 317 CB LEU A 23 -6.720 7.718 -3.285 1.00 0.00 C ATOM 318 CG LEU A 23 -7.108 8.111 -1.859 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.674 9.522 -1.830 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.112 7.120 -1.287 1.00 0.00 C ATOM 0 H LEU A 23 -4.349 7.916 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.109 5.705 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.288 8.590 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.629 7.463 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.211 8.088 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.945 9.785 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.924 10.222 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.559 9.572 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.377 7.415 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.008 7.111 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.671 6.123 -1.272 1.00 0.00 H new ATOM 332 N SER A 24 -4.821 6.879 -5.639 1.00 0.00 N ATOM 333 CA SER A 24 -4.623 6.586 -7.054 1.00 0.00 C ATOM 334 C SER A 24 -3.988 5.211 -7.240 1.00 0.00 C ATOM 335 O SER A 24 -4.216 4.541 -8.247 1.00 0.00 O ATOM 336 CB SER A 24 -3.745 7.658 -7.701 1.00 0.00 C ATOM 337 OG SER A 24 -4.521 8.766 -8.123 1.00 0.00 O ATOM 0 H SER A 24 -4.302 7.689 -5.299 1.00 0.00 H new ATOM 0 HA SER A 24 -5.599 6.585 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.988 7.990 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.217 7.233 -8.555 1.00 0.00 H new ATOM 0 HG SER A 24 -3.936 9.438 -8.532 1.00 0.00 H new ATOM 343 N MET A 25 -3.189 4.798 -6.262 1.00 0.00 N ATOM 344 CA MET A 25 -2.520 3.503 -6.317 1.00 0.00 C ATOM 345 C MET A 25 -3.490 2.376 -5.976 1.00 0.00 C ATOM 346 O MET A 25 -3.254 1.216 -6.315 1.00 0.00 O ATOM 347 CB MET A 25 -1.331 3.478 -5.354 1.00 0.00 C ATOM 348 CG MET A 25 -0.510 4.757 -5.368 1.00 0.00 C ATOM 349 SD MET A 25 0.918 4.677 -4.271 1.00 0.00 S ATOM 350 CE MET A 25 2.253 4.960 -5.431 1.00 0.00 C ATOM 0 H MET A 25 -2.989 5.341 -5.422 1.00 0.00 H new ATOM 0 HA MET A 25 -2.158 3.351 -7.334 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.697 3.302 -4.342 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.685 2.638 -5.610 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.171 4.956 -6.385 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.143 5.594 -5.073 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.016 4.193 -5.302 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.865 4.919 -6.449 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.691 5.941 -5.249 1.00 0.00 H new ATOM 360 N LYS A 26 -4.581 2.724 -5.303 1.00 0.00 N ATOM 361 CA LYS A 26 -5.588 1.742 -4.917 1.00 0.00 C ATOM 362 C LYS A 26 -6.409 1.301 -6.124 1.00 0.00 C ATOM 363 O LYS A 26 -6.921 0.182 -6.163 1.00 0.00 O ATOM 364 CB LYS A 26 -6.512 2.324 -3.844 1.00 0.00 C ATOM 365 CG LYS A 26 -5.797 2.671 -2.549 1.00 0.00 C ATOM 366 CD LYS A 26 -6.717 2.528 -1.349 1.00 0.00 C ATOM 367 CE LYS A 26 -7.953 3.403 -1.486 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.637 3.607 -0.179 1.00 0.00 N ATOM 0 H LYS A 26 -4.791 3.679 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.073 0.871 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.991 3.221 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.305 1.607 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.931 2.020 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.422 3.693 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.018 1.486 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.177 2.799 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.669 4.370 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.646 2.944 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.474 4.209 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.931 2.687 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.984 4.068 0.486 1.00 0.00 H new ATOM 382 N ASP A 27 -6.529 2.186 -7.108 1.00 0.00 N ATOM 383 CA ASP A 27 -7.286 1.886 -8.318 1.00 0.00 C ATOM 384 C ASP A 27 -6.793 0.593 -8.961 1.00 0.00 C ATOM 385 O ASP A 27 -5.618 0.240 -8.850 1.00 0.00 O ATOM 386 CB ASP A 27 -7.174 3.041 -9.314 1.00 0.00 C ATOM 387 CG ASP A 27 -8.355 3.104 -10.263 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.378 2.319 -11.234 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.256 3.937 -10.033 1.00 0.00 O ATOM 0 H ASP A 27 -6.112 3.117 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.332 1.756 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.100 3.982 -8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.255 2.933 -9.889 1.00 0.00 H new ATOM 394 N THR A 28 -7.699 -0.110 -9.633 1.00 0.00 N ATOM 395 CA THR A 28 -7.357 -1.365 -10.291 1.00 0.00 C ATOM 396 C THR A 28 -6.671 -1.114 -11.630 1.00 0.00 C ATOM 397 O THR A 28 -5.769 -1.853 -12.022 1.00 0.00 O ATOM 398 CB THR A 28 -8.606 -2.236 -10.523 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.228 -3.611 -10.648 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.351 -1.793 -11.773 1.00 0.00 C ATOM 0 H THR A 28 -8.675 0.168 -9.736 1.00 0.00 H new ATOM 0 HA THR A 28 -6.672 -1.894 -9.628 1.00 0.00 H new ATOM 0 HB THR A 28 -9.268 -2.119 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.028 -4.158 -10.794 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.229 -2.423 -11.916 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.664 -0.755 -11.662 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.695 -1.883 -12.639 1.00 0.00 H new ATOM 408 N GLU A 29 -7.105 -0.067 -12.325 1.00 0.00 N ATOM 409 CA GLU A 29 -6.532 0.280 -13.620 1.00 0.00 C ATOM 410 C GLU A 29 -5.703 1.557 -13.523 1.00 0.00 C ATOM 411 O GLU A 29 -4.814 1.798 -14.340 1.00 0.00 O ATOM 412 CB GLU A 29 -7.638 0.454 -14.662 1.00 0.00 C ATOM 413 CG GLU A 29 -8.900 1.094 -14.109 1.00 0.00 C ATOM 414 CD GLU A 29 -9.720 1.788 -15.179 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.874 1.210 -16.276 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.207 2.908 -14.921 1.00 0.00 O ATOM 0 H GLU A 29 -7.851 0.555 -12.013 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.877 -0.535 -13.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.260 1.065 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.888 -0.521 -15.080 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.510 0.329 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.629 1.816 -13.339 1.00 0.00 H new ATOM 423 N LYS A 30 -6.001 2.374 -12.518 1.00 0.00 N ATOM 424 CA LYS A 30 -5.284 3.627 -12.312 1.00 0.00 C ATOM 425 C LYS A 30 -4.357 3.532 -11.105 1.00 0.00 C ATOM 426 O LYS A 30 -3.827 4.538 -10.636 1.00 0.00 O ATOM 427 CB LYS A 30 -6.274 4.778 -12.119 1.00 0.00 C ATOM 428 CG LYS A 30 -7.441 4.746 -13.090 1.00 0.00 C ATOM 429 CD LYS A 30 -7.106 5.460 -14.389 1.00 0.00 C ATOM 430 CE LYS A 30 -7.471 6.935 -14.324 1.00 0.00 C ATOM 431 NZ LYS A 30 -6.476 7.719 -13.541 1.00 0.00 N ATOM 0 H LYS A 30 -6.734 2.191 -11.833 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.679 3.820 -13.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.659 4.748 -11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.745 5.724 -12.231 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.711 3.711 -13.302 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.311 5.215 -12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.041 5.356 -14.598 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.640 4.988 -15.213 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.536 7.338 -15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.457 7.046 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.446 8.696 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.750 7.724 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.536 7.285 -13.641 1.00 0.00 H new ATOM 445 N GLY A 31 -4.165 2.314 -10.607 1.00 0.00 N ATOM 446 CA GLY A 31 -3.300 2.110 -9.459 1.00 0.00 C ATOM 447 C GLY A 31 -2.167 1.146 -9.751 1.00 0.00 C ATOM 448 O GLY A 31 -1.947 0.767 -10.902 1.00 0.00 O ATOM 0 H GLY A 31 -4.593 1.465 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.886 3.068 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.891 1.730 -8.626 1.00 0.00 H new ATOM 452 N ILE A 32 -1.445 0.751 -8.708 1.00 0.00 N ATOM 453 CA ILE A 32 -0.329 -0.174 -8.859 1.00 0.00 C ATOM 454 C ILE A 32 -0.807 -1.622 -8.840 1.00 0.00 C ATOM 455 O ILE A 32 -1.496 -2.048 -7.913 1.00 0.00 O ATOM 456 CB ILE A 32 0.719 0.023 -7.748 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.254 1.457 -7.769 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.856 -0.975 -7.909 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.144 1.787 -6.592 1.00 0.00 C ATOM 0 H ILE A 32 -1.613 1.057 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 32 0.130 0.041 -9.824 1.00 0.00 H new ATOM 0 HB ILE A 32 0.242 -0.152 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.812 1.614 -8.692 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.413 2.150 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.589 -0.823 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.461 -1.989 -7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.334 -0.829 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.486 2.819 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.583 1.662 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.005 1.118 -6.588 1.00 0.00 H new ATOM 471 N LYS A 33 -0.436 -2.375 -9.870 1.00 0.00 N ATOM 472 CA LYS A 33 -0.824 -3.777 -9.972 1.00 0.00 C ATOM 473 C LYS A 33 0.027 -4.645 -9.051 1.00 0.00 C ATOM 474 O LYS A 33 1.126 -4.255 -8.656 1.00 0.00 O ATOM 475 CB LYS A 33 -0.687 -4.261 -11.417 1.00 0.00 C ATOM 476 CG LYS A 33 0.717 -4.114 -11.977 1.00 0.00 C ATOM 477 CD LYS A 33 1.606 -5.277 -11.569 1.00 0.00 C ATOM 478 CE LYS A 33 2.697 -5.534 -12.597 1.00 0.00 C ATOM 479 NZ LYS A 33 3.894 -4.680 -12.360 1.00 0.00 N ATOM 0 H LYS A 33 0.133 -2.038 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.866 -3.864 -9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.982 -5.309 -11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.380 -3.702 -12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.671 -4.054 -13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.154 -3.180 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.060 -5.067 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.000 -6.175 -11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.988 -6.584 -12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.307 -5.343 -13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.277 -4.358 -13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.624 -3.855 -11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.618 -5.230 -11.856 1.00 0.00 H new ATOM 493 N GLU A 34 -0.488 -5.823 -8.713 1.00 0.00 N ATOM 494 CA GLU A 34 0.227 -6.746 -7.839 1.00 0.00 C ATOM 495 C GLU A 34 0.450 -8.088 -8.530 1.00 0.00 C ATOM 496 O GLU A 34 -0.359 -8.517 -9.354 1.00 0.00 O ATOM 497 CB GLU A 34 -0.549 -6.954 -6.536 1.00 0.00 C ATOM 498 CG GLU A 34 -1.033 -5.660 -5.903 1.00 0.00 C ATOM 499 CD GLU A 34 -2.316 -5.841 -5.115 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.257 -6.465 -5.650 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.380 -5.358 -3.966 1.00 0.00 O ATOM 0 H GLU A 34 -1.397 -6.160 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 34 1.199 -6.309 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.408 -7.596 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.087 -7.481 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.258 -5.270 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.192 -4.915 -6.683 1.00 0.00 H new ATOM 508 N LEU A 35 1.554 -8.745 -8.190 1.00 0.00 N ATOM 509 CA LEU A 35 1.886 -10.039 -8.778 1.00 0.00 C ATOM 510 C LEU A 35 2.095 -11.091 -7.694 1.00 0.00 C ATOM 511 O LEU A 35 2.004 -10.797 -6.503 1.00 0.00 O ATOM 512 CB LEU A 35 3.143 -9.921 -9.641 1.00 0.00 C ATOM 513 CG LEU A 35 3.128 -8.823 -10.704 1.00 0.00 C ATOM 514 CD1 LEU A 35 1.828 -8.863 -11.494 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.322 -7.457 -10.063 1.00 0.00 C ATOM 0 H LEU A 35 2.234 -8.403 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 35 1.051 -10.352 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.996 -9.751 -8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.309 -10.877 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 35 3.954 -9.000 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.835 -8.074 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.730 -9.831 -11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.987 -8.712 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.309 -6.688 -10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.517 -7.271 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.279 -7.432 -9.542 1.00 0.00 H new ATOM 527 N ASN A 36 2.378 -12.320 -8.116 1.00 0.00 N ATOM 528 CA ASN A 36 2.602 -13.416 -7.182 1.00 0.00 C ATOM 529 C ASN A 36 4.006 -13.990 -7.343 1.00 0.00 C ATOM 530 O ASN A 36 4.206 -14.985 -8.042 1.00 0.00 O ATOM 531 CB ASN A 36 1.561 -14.517 -7.396 1.00 0.00 C ATOM 532 CG ASN A 36 1.299 -14.788 -8.865 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.007 -15.570 -9.499 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.278 -14.139 -9.413 1.00 0.00 N ATOM 0 H ASN A 36 2.457 -12.581 -9.099 1.00 0.00 H new ATOM 0 HA ASN A 36 2.503 -13.023 -6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.902 -15.434 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.628 -14.231 -6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.054 -14.280 -10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.282 -13.500 -8.849 1.00 0.00 H new ATOM 541 N LEU A 37 4.976 -13.358 -6.692 1.00 0.00 N ATOM 542 CA LEU A 37 6.363 -13.805 -6.762 1.00 0.00 C ATOM 543 C LEU A 37 6.758 -14.553 -5.493 1.00 0.00 C ATOM 544 O LEU A 37 6.212 -14.303 -4.419 1.00 0.00 O ATOM 545 CB LEU A 37 7.294 -12.611 -6.976 1.00 0.00 C ATOM 546 CG LEU A 37 6.810 -11.550 -7.964 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.602 -10.263 -7.796 1.00 0.00 C ATOM 548 CD2 LEU A 37 6.919 -12.063 -9.393 1.00 0.00 C ATOM 0 H LEU A 37 4.828 -12.534 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 37 6.458 -14.487 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.463 -12.131 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.258 -12.985 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 37 5.762 -11.337 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.243 -9.519 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.473 -9.886 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.659 -10.460 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.570 -11.295 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.959 -12.305 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.306 -12.957 -9.506 1.00 0.00 H new ATOM 560 N GLU A 38 7.713 -15.469 -5.625 1.00 0.00 N ATOM 561 CA GLU A 38 8.182 -16.252 -4.488 1.00 0.00 C ATOM 562 C GLU A 38 9.662 -15.993 -4.223 1.00 0.00 C ATOM 563 O GLU A 38 10.502 -16.161 -5.108 1.00 0.00 O ATOM 564 CB GLU A 38 7.950 -17.744 -4.736 1.00 0.00 C ATOM 565 CG GLU A 38 8.522 -18.638 -3.649 1.00 0.00 C ATOM 566 CD GLU A 38 9.979 -18.986 -3.886 1.00 0.00 C ATOM 567 OE1 GLU A 38 10.355 -19.195 -5.058 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.742 -19.049 -2.900 1.00 0.00 O ATOM 0 H GLU A 38 8.176 -15.687 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 38 7.614 -15.945 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.879 -17.928 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.396 -18.018 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.424 -18.139 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.937 -19.556 -3.594 1.00 0.00 H new ATOM 575 N LYS A 39 9.976 -15.583 -2.999 1.00 0.00 N ATOM 576 CA LYS A 39 11.354 -15.301 -2.615 1.00 0.00 C ATOM 577 C LYS A 39 11.641 -15.812 -1.206 1.00 0.00 C ATOM 578 O LYS A 39 10.851 -15.601 -0.286 1.00 0.00 O ATOM 579 CB LYS A 39 11.628 -13.797 -2.689 1.00 0.00 C ATOM 580 CG LYS A 39 13.069 -13.426 -2.383 1.00 0.00 C ATOM 581 CD LYS A 39 13.947 -13.531 -3.618 1.00 0.00 C ATOM 582 CE LYS A 39 13.924 -12.245 -4.430 1.00 0.00 C ATOM 583 NZ LYS A 39 14.682 -12.379 -5.704 1.00 0.00 N ATOM 0 H LYS A 39 9.294 -15.438 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 39 12.013 -15.819 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.373 -13.438 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.972 -13.282 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.109 -12.409 -1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.457 -14.082 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.971 -13.756 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.607 -14.360 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.892 -11.972 -4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.349 -11.434 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.642 -11.481 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.673 -12.614 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.261 -13.135 -6.281 1.00 0.00 H new ATOM 597 N ASP A 40 12.777 -16.482 -1.046 1.00 0.00 N ATOM 598 CA ASP A 40 13.170 -17.021 0.251 1.00 0.00 C ATOM 599 C ASP A 40 12.164 -18.060 0.736 1.00 0.00 C ATOM 600 O ASP A 40 11.747 -18.043 1.894 1.00 0.00 O ATOM 601 CB ASP A 40 13.293 -15.894 1.279 1.00 0.00 C ATOM 602 CG ASP A 40 14.653 -15.224 1.243 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.664 -15.940 1.081 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.706 -13.984 1.375 1.00 0.00 O ATOM 0 H ASP A 40 13.442 -16.665 -1.798 1.00 0.00 H new ATOM 0 HA ASP A 40 14.139 -17.506 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.519 -15.149 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.115 -16.295 2.277 1.00 0.00 H new ATOM 609 N LYS A 41 11.777 -18.963 -0.159 1.00 0.00 N ATOM 610 CA LYS A 41 10.820 -20.011 0.176 1.00 0.00 C ATOM 611 C LYS A 41 9.525 -19.413 0.717 1.00 0.00 C ATOM 612 O LYS A 41 8.808 -20.051 1.488 1.00 0.00 O ATOM 613 CB LYS A 41 11.421 -20.969 1.207 1.00 0.00 C ATOM 614 CG LYS A 41 12.627 -21.736 0.694 1.00 0.00 C ATOM 615 CD LYS A 41 12.219 -22.832 -0.276 1.00 0.00 C ATOM 616 CE LYS A 41 13.265 -23.935 -0.344 1.00 0.00 C ATOM 617 NZ LYS A 41 12.994 -24.889 -1.454 1.00 0.00 N ATOM 0 H LYS A 41 12.112 -18.990 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 41 10.592 -20.564 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.711 -20.402 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.656 -21.679 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.313 -21.048 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.165 -22.174 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.263 -23.255 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.074 -22.405 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.252 -23.492 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.285 -24.475 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.729 -25.625 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.063 -25.331 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.000 -24.378 -2.360 1.00 0.00 H new ATOM 631 N LYS A 42 9.230 -18.184 0.308 1.00 0.00 N ATOM 632 CA LYS A 42 8.021 -17.499 0.749 1.00 0.00 C ATOM 633 C LYS A 42 7.344 -16.786 -0.417 1.00 0.00 C ATOM 634 O LYS A 42 7.994 -16.073 -1.183 1.00 0.00 O ATOM 635 CB LYS A 42 8.353 -16.493 1.853 1.00 0.00 C ATOM 636 CG LYS A 42 8.586 -17.134 3.210 1.00 0.00 C ATOM 637 CD LYS A 42 9.021 -16.109 4.243 1.00 0.00 C ATOM 638 CE LYS A 42 7.831 -15.357 4.819 1.00 0.00 C ATOM 639 NZ LYS A 42 7.514 -14.134 4.031 1.00 0.00 N ATOM 0 H LYS A 42 9.813 -17.641 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 42 7.333 -18.247 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.244 -15.933 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.538 -15.774 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.671 -17.623 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.348 -17.909 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.561 -16.608 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.713 -15.402 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.961 -16.013 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.042 -15.079 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.691 -13.290 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.115 -14.102 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.514 -14.154 3.746 1.00 0.00 H new ATOM 653 N ILE A 43 6.036 -16.981 -0.545 1.00 0.00 N ATOM 654 CA ILE A 43 5.271 -16.354 -1.616 1.00 0.00 C ATOM 655 C ILE A 43 4.544 -15.110 -1.117 1.00 0.00 C ATOM 656 O ILE A 43 3.810 -15.161 -0.130 1.00 0.00 O ATOM 657 CB ILE A 43 4.243 -17.329 -2.220 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.907 -18.669 -2.542 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.614 -16.729 -3.468 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.083 -19.546 -3.460 1.00 0.00 C ATOM 0 H ILE A 43 5.484 -17.568 0.080 1.00 0.00 H new ATOM 0 HA ILE A 43 5.985 -16.069 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 43 3.455 -17.503 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.877 -18.483 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.094 -19.205 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.890 -17.430 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.111 -15.797 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.390 -16.529 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.615 -20.479 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.123 -19.762 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.917 -19.029 -4.405 1.00 0.00 H new ATOM 672 N PHE A 44 4.752 -13.993 -1.807 1.00 0.00 N ATOM 673 CA PHE A 44 4.115 -12.735 -1.434 1.00 0.00 C ATOM 674 C PHE A 44 3.020 -12.364 -2.430 1.00 0.00 C ATOM 675 O PHE A 44 3.300 -11.858 -3.516 1.00 0.00 O ATOM 676 CB PHE A 44 5.155 -11.615 -1.361 1.00 0.00 C ATOM 677 CG PHE A 44 6.317 -11.934 -0.464 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.438 -12.577 -0.964 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.288 -11.590 0.877 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.508 -12.872 -0.141 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.356 -11.882 1.705 1.00 0.00 C ATOM 682 CZ PHE A 44 8.468 -12.523 1.195 1.00 0.00 C ATOM 0 H PHE A 44 5.356 -13.933 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 44 3.660 -12.863 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.527 -11.409 -2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.672 -10.704 -1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.476 -12.850 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.421 -11.088 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.375 -13.375 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.321 -11.609 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.304 -12.751 1.839 1.00 0.00 H new ATOM 692 N ASN A 45 1.772 -12.621 -2.052 1.00 0.00 N ATOM 693 CA ASN A 45 0.635 -12.315 -2.912 1.00 0.00 C ATOM 694 C ASN A 45 0.178 -10.872 -2.717 1.00 0.00 C ATOM 695 O ASN A 45 0.488 -10.242 -1.705 1.00 0.00 O ATOM 696 CB ASN A 45 -0.523 -13.271 -2.620 1.00 0.00 C ATOM 697 CG ASN A 45 -0.409 -14.570 -3.395 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.237 -14.868 -4.255 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.622 -15.351 -3.091 1.00 0.00 N ATOM 0 H ASN A 45 1.523 -13.040 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 45 0.950 -12.441 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.550 -13.489 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.465 -12.783 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.751 -16.238 -3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.284 -15.064 -2.371 1.00 0.00 H new ATOM 706 N HIS A 46 -0.561 -10.354 -3.693 1.00 0.00 N ATOM 707 CA HIS A 46 -1.062 -8.986 -3.629 1.00 0.00 C ATOM 708 C HIS A 46 0.061 -8.012 -3.285 1.00 0.00 C ATOM 709 O HIS A 46 -0.151 -7.035 -2.565 1.00 0.00 O ATOM 710 CB HIS A 46 -2.181 -8.878 -2.592 1.00 0.00 C ATOM 711 CG HIS A 46 -3.363 -9.747 -2.895 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.962 -9.798 -4.136 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.057 -10.603 -2.108 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.973 -10.647 -4.100 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.052 -11.150 -2.881 1.00 0.00 N ATOM 0 H HIS A 46 -0.826 -10.861 -4.537 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.459 -8.725 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.785 -9.146 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.509 -7.840 -2.530 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.864 -10.816 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.624 -10.889 -4.927 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.740 -11.834 -2.565 1.00 0.00 H new ATOM 724 N CYS A 47 1.253 -8.285 -3.803 1.00 0.00 N ATOM 725 CA CYS A 47 2.410 -7.433 -3.550 1.00 0.00 C ATOM 726 C CYS A 47 3.012 -6.930 -4.858 1.00 0.00 C ATOM 727 O CYS A 47 2.955 -7.612 -5.882 1.00 0.00 O ATOM 728 CB CYS A 47 3.466 -8.197 -2.749 1.00 0.00 C ATOM 729 SG CYS A 47 4.501 -7.147 -1.702 1.00 0.00 S ATOM 0 H CYS A 47 1.444 -9.089 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 47 2.077 -6.572 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.967 -8.937 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.106 -8.745 -3.441 1.00 0.00 H new ATOM 0 HG CYS A 47 4.610 -5.969 -2.242 1.00 0.00 H new ATOM 735 N PHE A 48 3.586 -5.733 -4.817 1.00 0.00 N ATOM 736 CA PHE A 48 4.196 -5.137 -5.999 1.00 0.00 C ATOM 737 C PHE A 48 5.668 -4.821 -5.751 1.00 0.00 C ATOM 738 O PHE A 48 6.070 -4.518 -4.627 1.00 0.00 O ATOM 739 CB PHE A 48 3.449 -3.862 -6.397 1.00 0.00 C ATOM 740 CG PHE A 48 3.045 -3.014 -5.225 1.00 0.00 C ATOM 741 CD1 PHE A 48 3.935 -2.108 -4.669 1.00 0.00 C ATOM 742 CD2 PHE A 48 1.776 -3.121 -4.680 1.00 0.00 C ATOM 743 CE1 PHE A 48 3.566 -1.327 -3.591 1.00 0.00 C ATOM 744 CE2 PHE A 48 1.402 -2.342 -3.601 1.00 0.00 C ATOM 745 CZ PHE A 48 2.297 -1.443 -3.057 1.00 0.00 C ATOM 0 H PHE A 48 3.642 -5.156 -3.978 1.00 0.00 H new ATOM 0 HA PHE A 48 4.130 -5.858 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.081 -3.272 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.558 -4.134 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.928 -2.012 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.071 -3.821 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.269 -0.626 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.410 -2.437 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.006 -0.832 -2.216 1.00 0.00 H new ATOM 755 N THR A 49 6.470 -4.894 -6.809 1.00 0.00 N ATOM 756 CA THR A 49 7.897 -4.618 -6.708 1.00 0.00 C ATOM 757 C THR A 49 8.157 -3.129 -6.508 1.00 0.00 C ATOM 758 O THR A 49 7.354 -2.289 -6.914 1.00 0.00 O ATOM 759 CB THR A 49 8.653 -5.095 -7.963 1.00 0.00 C ATOM 760 OG1 THR A 49 8.065 -4.522 -9.136 1.00 0.00 O ATOM 761 CG2 THR A 49 8.626 -6.613 -8.066 1.00 0.00 C ATOM 0 H THR A 49 6.154 -5.142 -7.747 1.00 0.00 H new ATOM 0 HA THR A 49 8.264 -5.168 -5.841 1.00 0.00 H new ATOM 0 HB THR A 49 9.690 -4.770 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.552 -4.829 -9.929 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.166 -6.927 -8.959 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.100 -7.046 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.593 -6.955 -8.127 1.00 0.00 H new ATOM 769 N GLY A 50 9.284 -2.808 -5.880 1.00 0.00 N ATOM 770 CA GLY A 50 9.629 -1.419 -5.639 1.00 0.00 C ATOM 771 C GLY A 50 9.668 -0.601 -6.914 1.00 0.00 C ATOM 772 O GLY A 50 8.942 0.382 -7.051 1.00 0.00 O ATOM 0 H GLY A 50 9.964 -3.485 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.904 -0.982 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.602 -1.369 -5.149 1.00 0.00 H new ATOM 776 N ASN A 51 10.520 -1.008 -7.850 1.00 0.00 N ATOM 777 CA ASN A 51 10.653 -0.304 -9.120 1.00 0.00 C ATOM 778 C ASN A 51 9.283 0.036 -9.700 1.00 0.00 C ATOM 779 O ASN A 51 9.144 0.977 -10.482 1.00 0.00 O ATOM 780 CB ASN A 51 11.445 -1.152 -10.117 1.00 0.00 C ATOM 781 CG ASN A 51 12.943 -0.976 -9.964 1.00 0.00 C ATOM 782 OD1 ASN A 51 13.427 -0.568 -8.908 1.00 0.00 O ATOM 783 ND2 ASN A 51 13.686 -1.284 -11.021 1.00 0.00 N ATOM 0 H ASN A 51 11.128 -1.821 -7.753 1.00 0.00 H new ATOM 0 HA ASN A 51 11.191 0.626 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.190 -2.203 -9.980 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.152 -0.883 -11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.700 -1.186 -10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.242 -1.619 -11.876 1.00 0.00 H new ATOM 790 N CYS A 52 8.274 -0.737 -9.311 1.00 0.00 N ATOM 791 CA CYS A 52 6.915 -0.518 -9.792 1.00 0.00 C ATOM 792 C CYS A 52 6.357 0.801 -9.267 1.00 0.00 C ATOM 793 O CYS A 52 5.854 1.623 -10.033 1.00 0.00 O ATOM 794 CB CYS A 52 6.009 -1.674 -9.366 1.00 0.00 C ATOM 795 SG CYS A 52 4.650 -2.009 -10.511 1.00 0.00 S ATOM 0 H CYS A 52 8.372 -1.520 -8.665 1.00 0.00 H new ATOM 0 HA CYS A 52 6.945 -0.471 -10.881 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.613 -2.575 -9.262 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.595 -1.453 -8.382 1.00 0.00 H new ATOM 0 HG CYS A 52 3.942 -3.004 -10.065 1.00 0.00 H new ATOM 801 N VAL A 53 6.449 0.996 -7.955 1.00 0.00 N ATOM 802 CA VAL A 53 5.954 2.215 -7.327 1.00 0.00 C ATOM 803 C VAL A 53 6.574 3.453 -7.965 1.00 0.00 C ATOM 804 O VAL A 53 5.866 4.316 -8.484 1.00 0.00 O ATOM 805 CB VAL A 53 6.249 2.227 -5.815 1.00 0.00 C ATOM 806 CG1 VAL A 53 5.747 3.516 -5.183 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.625 1.014 -5.141 1.00 0.00 C ATOM 0 H VAL A 53 6.862 0.325 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 53 4.875 2.234 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 53 7.329 2.178 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.964 3.506 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.246 4.367 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.671 3.600 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.843 1.039 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.545 1.030 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.039 0.104 -5.575 1.00 0.00 H new ATOM 817 N ILE A 54 7.900 3.533 -7.921 1.00 0.00 N ATOM 818 CA ILE A 54 8.615 4.665 -8.497 1.00 0.00 C ATOM 819 C ILE A 54 8.106 4.982 -9.898 1.00 0.00 C ATOM 820 O ILE A 54 7.620 6.083 -10.159 1.00 0.00 O ATOM 821 CB ILE A 54 10.131 4.399 -8.561 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.651 3.948 -7.195 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.868 5.645 -9.030 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.333 4.918 -6.078 1.00 0.00 C ATOM 0 H ILE A 54 8.500 2.828 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 54 8.431 5.519 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 54 10.314 3.600 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.221 2.976 -6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.731 3.814 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.938 5.441 -9.070 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.514 5.925 -10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.680 6.462 -8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.731 4.534 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.786 5.885 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.252 5.034 -5.993 1.00 0.00 H new ATOM 836 N ASP A 55 8.219 4.011 -10.797 1.00 0.00 N ATOM 837 CA ASP A 55 7.768 4.185 -12.173 1.00 0.00 C ATOM 838 C ASP A 55 6.306 4.619 -12.214 1.00 0.00 C ATOM 839 O ASP A 55 5.975 5.669 -12.765 1.00 0.00 O ATOM 840 CB ASP A 55 7.950 2.887 -12.960 1.00 0.00 C ATOM 841 CG ASP A 55 7.870 3.102 -14.459 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.884 3.524 -15.053 1.00 0.00 O ATOM 843 OD2 ASP A 55 6.793 2.849 -15.037 1.00 0.00 O ATOM 0 H ASP A 55 8.619 3.094 -10.598 1.00 0.00 H new ATOM 0 HA ASP A 55 8.374 4.966 -12.632 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.915 2.446 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.185 2.172 -12.657 1.00 0.00 H new ATOM 848 N TRP A 56 5.436 3.803 -11.629 1.00 0.00 N ATOM 849 CA TRP A 56 4.009 4.102 -11.600 1.00 0.00 C ATOM 850 C TRP A 56 3.769 5.602 -11.470 1.00 0.00 C ATOM 851 O TRP A 56 2.914 6.166 -12.155 1.00 0.00 O ATOM 852 CB TRP A 56 3.336 3.364 -10.441 1.00 0.00 C ATOM 853 CG TRP A 56 1.864 3.629 -10.343 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.855 2.824 -10.790 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.236 4.778 -9.764 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.362 3.404 -10.523 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.155 4.603 -9.894 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.714 5.937 -9.147 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.070 5.544 -9.430 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.805 6.870 -8.687 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.575 6.669 -8.830 1.00 0.00 C ATOM 0 H TRP A 56 5.694 2.930 -11.169 1.00 0.00 H new ATOM 0 HA TRP A 56 3.573 3.763 -12.540 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.498 2.293 -10.559 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.814 3.658 -9.506 1.00 0.00 H new ATOM 0 HD1 TRP A 56 0.993 1.872 -11.281 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.272 3.006 -10.756 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.775 6.101 -9.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.133 5.391 -9.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.164 7.770 -8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.260 7.417 -8.459 1.00 0.00 H new ATOM 872 N LEU A 57 4.528 6.244 -10.590 1.00 0.00 N ATOM 873 CA LEU A 57 4.398 7.681 -10.371 1.00 0.00 C ATOM 874 C LEU A 57 4.760 8.458 -11.633 1.00 0.00 C ATOM 875 O LEU A 57 4.030 9.357 -12.051 1.00 0.00 O ATOM 876 CB LEU A 57 5.293 8.123 -9.212 1.00 0.00 C ATOM 877 CG LEU A 57 4.955 7.536 -7.841 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.205 7.436 -6.980 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.893 8.377 -7.147 1.00 0.00 C ATOM 0 H LEU A 57 5.240 5.793 -10.016 1.00 0.00 H new ATOM 0 HA LEU A 57 3.359 7.894 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.323 7.860 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.250 9.210 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 57 4.557 6.532 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.945 7.016 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.934 6.791 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.633 8.429 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.665 7.944 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.263 9.394 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.989 8.396 -7.756 1.00 0.00 H new ATOM 891 N VAL A 58 5.890 8.105 -12.236 1.00 0.00 N ATOM 892 CA VAL A 58 6.347 8.767 -13.452 1.00 0.00 C ATOM 893 C VAL A 58 5.328 8.618 -14.575 1.00 0.00 C ATOM 894 O VAL A 58 4.793 9.607 -15.078 1.00 0.00 O ATOM 895 CB VAL A 58 7.701 8.203 -13.924 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.217 8.985 -15.122 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.711 8.223 -12.787 1.00 0.00 C ATOM 0 H VAL A 58 6.506 7.364 -11.902 1.00 0.00 H new ATOM 0 HA VAL A 58 6.466 9.823 -13.211 1.00 0.00 H new ATOM 0 HB VAL A 58 7.557 7.168 -14.232 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.174 8.572 -15.441 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.500 8.913 -15.940 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.347 10.031 -14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.662 7.821 -13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.854 9.248 -12.445 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.342 7.614 -11.962 1.00 0.00 H new ATOM 907 N SER A 59 5.062 7.375 -14.964 1.00 0.00 N ATOM 908 CA SER A 59 4.108 7.096 -16.031 1.00 0.00 C ATOM 909 C SER A 59 2.781 7.804 -15.772 1.00 0.00 C ATOM 910 O SER A 59 1.986 8.010 -16.689 1.00 0.00 O ATOM 911 CB SER A 59 3.879 5.589 -16.158 1.00 0.00 C ATOM 912 OG SER A 59 3.430 5.249 -17.459 1.00 0.00 O ATOM 0 H SER A 59 5.494 6.546 -14.556 1.00 0.00 H new ATOM 0 HA SER A 59 4.525 7.473 -16.965 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.805 5.058 -15.939 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.144 5.266 -15.420 1.00 0.00 H new ATOM 0 HG SER A 59 3.292 4.280 -17.515 1.00 0.00 H new ATOM 918 N ASN A 60 2.549 8.172 -14.517 1.00 0.00 N ATOM 919 CA ASN A 60 1.319 8.856 -14.136 1.00 0.00 C ATOM 920 C ASN A 60 1.525 10.367 -14.100 1.00 0.00 C ATOM 921 O ASN A 60 0.772 11.090 -13.449 1.00 0.00 O ATOM 922 CB ASN A 60 0.839 8.363 -12.769 1.00 0.00 C ATOM 923 CG ASN A 60 0.071 7.059 -12.861 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.032 6.937 -12.327 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.652 6.077 -13.540 1.00 0.00 N ATOM 0 H ASN A 60 3.197 8.008 -13.746 1.00 0.00 H new ATOM 0 HA ASN A 60 0.560 8.628 -14.884 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.698 8.230 -12.112 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.205 9.124 -12.314 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.183 5.176 -13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.567 6.223 -13.966 1.00 0.00 H new ATOM 932 N GLN A 61 2.549 10.836 -14.806 1.00 0.00 N ATOM 933 CA GLN A 61 2.853 12.261 -14.856 1.00 0.00 C ATOM 934 C GLN A 61 2.893 12.858 -13.453 1.00 0.00 C ATOM 935 O GLN A 61 2.485 14.000 -13.242 1.00 0.00 O ATOM 936 CB GLN A 61 1.817 12.997 -15.707 1.00 0.00 C ATOM 937 CG GLN A 61 1.552 12.335 -17.049 1.00 0.00 C ATOM 938 CD GLN A 61 0.233 12.765 -17.662 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.102 13.885 -18.158 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.752 11.877 -17.631 1.00 0.00 N ATOM 0 H GLN A 61 3.182 10.250 -15.351 1.00 0.00 H new ATOM 0 HA GLN A 61 3.836 12.381 -15.311 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.881 13.060 -15.151 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.157 14.019 -15.876 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.363 12.577 -17.736 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.554 11.252 -16.922 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.599 10.961 -17.210 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.662 12.111 -18.028 1.00 0.00 H new ATOM 949 N SER A 62 3.386 12.078 -12.497 1.00 0.00 N ATOM 950 CA SER A 62 3.475 12.528 -11.112 1.00 0.00 C ATOM 951 C SER A 62 4.872 13.057 -10.802 1.00 0.00 C ATOM 952 O SER A 62 5.032 14.011 -10.041 1.00 0.00 O ATOM 953 CB SER A 62 3.127 11.383 -10.158 1.00 0.00 C ATOM 954 OG SER A 62 2.074 10.590 -10.677 1.00 0.00 O ATOM 0 H SER A 62 3.730 11.131 -12.655 1.00 0.00 H new ATOM 0 HA SER A 62 2.759 13.338 -10.972 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.007 10.762 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.838 11.788 -9.188 1.00 0.00 H new ATOM 0 HG SER A 62 2.430 9.975 -11.352 1.00 0.00 H new ATOM 960 N VAL A 63 5.881 12.430 -11.397 1.00 0.00 N ATOM 961 CA VAL A 63 7.265 12.837 -11.187 1.00 0.00 C ATOM 962 C VAL A 63 7.990 13.029 -12.514 1.00 0.00 C ATOM 963 O VAL A 63 7.522 12.577 -13.559 1.00 0.00 O ATOM 964 CB VAL A 63 8.032 11.803 -10.341 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.570 11.850 -8.892 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.857 10.407 -10.919 1.00 0.00 C ATOM 0 H VAL A 63 5.766 11.638 -12.029 1.00 0.00 H new ATOM 0 HA VAL A 63 7.237 13.786 -10.651 1.00 0.00 H new ATOM 0 HB VAL A 63 9.093 12.053 -10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.123 11.113 -8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.751 12.844 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.504 11.626 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.405 9.689 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.799 10.145 -10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.241 10.385 -11.939 1.00 0.00 H new ATOM 976 N ARG A 64 9.135 13.702 -12.465 1.00 0.00 N ATOM 977 CA ARG A 64 9.925 13.955 -13.664 1.00 0.00 C ATOM 978 C ARG A 64 10.792 12.748 -14.008 1.00 0.00 C ATOM 979 O ARG A 64 11.029 12.455 -15.179 1.00 0.00 O ATOM 980 CB ARG A 64 10.806 15.190 -13.469 1.00 0.00 C ATOM 981 CG ARG A 64 10.030 16.434 -13.068 1.00 0.00 C ATOM 982 CD ARG A 64 10.849 17.697 -13.288 1.00 0.00 C ATOM 983 NE ARG A 64 10.010 18.892 -13.334 1.00 0.00 N ATOM 984 CZ ARG A 64 10.466 20.098 -13.655 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.746 20.267 -13.957 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.642 21.137 -13.673 1.00 0.00 N ATOM 0 H ARG A 64 9.536 14.082 -11.608 1.00 0.00 H new ATOM 0 HA ARG A 64 9.237 14.135 -14.491 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.553 14.976 -12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.345 15.391 -14.395 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.108 16.491 -13.647 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.744 16.363 -12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.581 17.799 -12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.407 17.610 -14.220 1.00 0.00 H new ATOM 0 HE ARG A 64 9.020 18.795 -13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.383 19.470 -13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.094 21.194 -14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.657 21.011 -13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.993 22.062 -13.920 1.00 0.00 H new ATOM 1000 N ASN A 65 11.264 12.052 -12.979 1.00 0.00 N ATOM 1001 CA ASN A 65 12.106 10.877 -13.172 1.00 0.00 C ATOM 1002 C ASN A 65 12.029 9.947 -11.965 1.00 0.00 C ATOM 1003 O ASN A 65 11.344 10.242 -10.985 1.00 0.00 O ATOM 1004 CB ASN A 65 13.557 11.298 -13.414 1.00 0.00 C ATOM 1005 CG ASN A 65 13.910 12.591 -12.703 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.646 13.682 -13.208 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.510 12.473 -11.524 1.00 0.00 N ATOM 0 H ASN A 65 11.078 12.281 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 65 11.740 10.339 -14.046 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.224 10.506 -13.074 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.724 11.418 -14.484 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.771 13.308 -10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.710 11.548 -11.144 1.00 0.00 H new ATOM 1014 N ARG A 66 12.736 8.825 -12.043 1.00 0.00 N ATOM 1015 CA ARG A 66 12.747 7.852 -10.958 1.00 0.00 C ATOM 1016 C ARG A 66 13.095 8.521 -9.631 1.00 0.00 C ATOM 1017 O ARG A 66 12.302 8.505 -8.691 1.00 0.00 O ATOM 1018 CB ARG A 66 13.749 6.735 -11.256 1.00 0.00 C ATOM 1019 CG ARG A 66 13.169 5.603 -12.089 1.00 0.00 C ATOM 1020 CD ARG A 66 13.350 5.858 -13.577 1.00 0.00 C ATOM 1021 NE ARG A 66 12.753 4.802 -14.390 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.823 4.767 -15.716 1.00 0.00 C ATOM 1023 NH1 ARG A 66 13.462 5.723 -16.375 1.00 0.00 N ATOM 1024 NH2 ARG A 66 12.255 3.772 -16.386 1.00 0.00 N ATOM 0 H ARG A 66 13.309 8.567 -12.847 1.00 0.00 H new ATOM 0 HA ARG A 66 11.748 7.423 -10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.606 7.158 -11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.119 6.329 -10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.653 4.665 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.108 5.491 -11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.899 6.815 -13.838 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.413 5.934 -13.805 1.00 0.00 H new ATOM 0 HE ARG A 66 12.255 4.050 -13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.902 6.488 -15.864 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.514 5.693 -17.393 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.764 3.033 -15.883 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.309 3.746 -17.404 1.00 0.00 H new ATOM 1038 N GLN A 67 14.286 9.107 -9.565 1.00 0.00 N ATOM 1039 CA GLN A 67 14.739 9.780 -8.353 1.00 0.00 C ATOM 1040 C GLN A 67 13.626 10.636 -7.757 1.00 0.00 C ATOM 1041 O GLN A 67 13.376 10.593 -6.553 1.00 0.00 O ATOM 1042 CB GLN A 67 15.961 10.650 -8.655 1.00 0.00 C ATOM 1043 CG GLN A 67 17.275 9.887 -8.617 1.00 0.00 C ATOM 1044 CD GLN A 67 17.850 9.783 -7.218 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.517 10.700 -6.739 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.594 8.661 -6.554 1.00 0.00 N ATOM 0 H GLN A 67 14.954 9.130 -10.335 1.00 0.00 H new ATOM 0 HA GLN A 67 15.015 9.017 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.841 11.101 -9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.003 11.466 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.121 8.885 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.997 10.382 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 67 17.036 7.926 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.955 8.534 -5.609 1.00 0.00 H new ATOM 1055 N GLU A 68 12.962 11.412 -8.609 1.00 0.00 N ATOM 1056 CA GLU A 68 11.877 12.278 -8.164 1.00 0.00 C ATOM 1057 C GLU A 68 10.811 11.477 -7.421 1.00 0.00 C ATOM 1058 O GLU A 68 10.261 11.934 -6.420 1.00 0.00 O ATOM 1059 CB GLU A 68 11.248 12.998 -9.359 1.00 0.00 C ATOM 1060 CG GLU A 68 12.087 14.150 -9.885 1.00 0.00 C ATOM 1061 CD GLU A 68 12.428 15.163 -8.809 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.504 15.852 -8.329 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.619 15.266 -8.447 1.00 0.00 O ATOM 0 H GLU A 68 13.156 11.458 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 68 12.294 13.018 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.088 12.279 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.267 13.376 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.009 13.757 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.548 14.649 -10.691 1.00 0.00 H new ATOM 1070 N GLY A 69 10.526 10.278 -7.919 1.00 0.00 N ATOM 1071 CA GLY A 69 9.527 9.432 -7.291 1.00 0.00 C ATOM 1072 C GLY A 69 10.047 8.751 -6.041 1.00 0.00 C ATOM 1073 O GLY A 69 9.276 8.182 -5.268 1.00 0.00 O ATOM 0 H GLY A 69 10.969 9.877 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.654 10.033 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.197 8.675 -8.003 1.00 0.00 H new ATOM 1077 N LEU A 70 11.360 8.808 -5.841 1.00 0.00 N ATOM 1078 CA LEU A 70 11.983 8.190 -4.676 1.00 0.00 C ATOM 1079 C LEU A 70 11.450 8.802 -3.384 1.00 0.00 C ATOM 1080 O LEU A 70 11.162 8.091 -2.422 1.00 0.00 O ATOM 1081 CB LEU A 70 13.503 8.351 -4.741 1.00 0.00 C ATOM 1082 CG LEU A 70 14.324 7.239 -4.087 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.655 6.762 -2.808 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.517 6.080 -5.054 1.00 0.00 C ATOM 0 H LEU A 70 12.013 9.276 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 70 11.735 7.129 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.796 8.424 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.769 9.297 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 70 15.304 7.641 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.254 5.971 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.569 7.595 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.661 6.378 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.103 5.298 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.545 5.680 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.041 6.431 -5.943 1.00 0.00 H new ATOM 1096 N MET A 71 11.320 10.124 -3.372 1.00 0.00 N ATOM 1097 CA MET A 71 10.818 10.831 -2.199 1.00 0.00 C ATOM 1098 C MET A 71 9.370 10.448 -1.912 1.00 0.00 C ATOM 1099 O MET A 71 9.043 9.999 -0.813 1.00 0.00 O ATOM 1100 CB MET A 71 10.926 12.344 -2.404 1.00 0.00 C ATOM 1101 CG MET A 71 12.165 12.765 -3.179 1.00 0.00 C ATOM 1102 SD MET A 71 13.662 11.951 -2.590 1.00 0.00 S ATOM 1103 CE MET A 71 14.641 11.918 -4.089 1.00 0.00 C ATOM 0 H MET A 71 11.555 10.727 -4.160 1.00 0.00 H new ATOM 0 HA MET A 71 11.428 10.543 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.040 12.695 -2.933 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.932 12.835 -1.431 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.023 12.536 -4.235 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.288 13.845 -3.100 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.050 10.918 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.012 12.180 -4.940 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.457 12.636 -4.006 1.00 0.00 H new ATOM 1113 N ILE A 72 8.506 10.627 -2.906 1.00 0.00 N ATOM 1114 CA ILE A 72 7.094 10.299 -2.759 1.00 0.00 C ATOM 1115 C ILE A 72 6.909 8.850 -2.321 1.00 0.00 C ATOM 1116 O ILE A 72 6.119 8.558 -1.424 1.00 0.00 O ATOM 1117 CB ILE A 72 6.323 10.530 -4.072 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.486 11.978 -4.537 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.851 10.189 -3.889 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.797 12.982 -3.639 1.00 0.00 C ATOM 0 H ILE A 72 8.760 10.998 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 72 6.694 10.962 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 72 6.735 9.874 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.548 12.217 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.089 12.074 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.319 10.357 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.753 9.143 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.425 10.822 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.955 13.987 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.729 12.768 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.211 12.914 -2.633 1.00 0.00 H new ATOM 1132 N ALA A 73 7.644 7.946 -2.961 1.00 0.00 N ATOM 1133 CA ALA A 73 7.564 6.528 -2.635 1.00 0.00 C ATOM 1134 C ALA A 73 8.002 6.269 -1.197 1.00 0.00 C ATOM 1135 O ALA A 73 7.386 5.477 -0.484 1.00 0.00 O ATOM 1136 CB ALA A 73 8.414 5.716 -3.602 1.00 0.00 C ATOM 0 H ALA A 73 8.301 8.171 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 73 6.524 6.216 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.345 4.658 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.054 5.868 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.453 6.039 -3.533 1.00 0.00 H new ATOM 1142 N SER A 74 9.069 6.941 -0.779 1.00 0.00 N ATOM 1143 CA SER A 74 9.592 6.781 0.573 1.00 0.00 C ATOM 1144 C SER A 74 8.572 7.243 1.609 1.00 0.00 C ATOM 1145 O SER A 74 8.194 6.487 2.504 1.00 0.00 O ATOM 1146 CB SER A 74 10.894 7.568 0.736 1.00 0.00 C ATOM 1147 OG SER A 74 12.018 6.768 0.411 1.00 0.00 O ATOM 0 H SER A 74 9.589 7.602 -1.357 1.00 0.00 H new ATOM 0 HA SER A 74 9.793 5.722 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.873 8.449 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.981 7.924 1.763 1.00 0.00 H new ATOM 0 HG SER A 74 12.177 6.804 -0.555 1.00 0.00 H new ATOM 1153 N SER A 75 8.130 8.490 1.480 1.00 0.00 N ATOM 1154 CA SER A 75 7.157 9.055 2.406 1.00 0.00 C ATOM 1155 C SER A 75 5.963 8.121 2.577 1.00 0.00 C ATOM 1156 O SER A 75 5.471 7.919 3.688 1.00 0.00 O ATOM 1157 CB SER A 75 6.682 10.422 1.908 1.00 0.00 C ATOM 1158 OG SER A 75 6.670 10.473 0.492 1.00 0.00 O ATOM 0 H SER A 75 8.431 9.128 0.743 1.00 0.00 H new ATOM 0 HA SER A 75 7.642 9.177 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.682 10.624 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.336 11.202 2.298 1.00 0.00 H new ATOM 0 HG SER A 75 6.366 9.612 0.136 1.00 0.00 H new ATOM 1164 N LEU A 76 5.500 7.554 1.468 1.00 0.00 N ATOM 1165 CA LEU A 76 4.364 6.640 1.493 1.00 0.00 C ATOM 1166 C LEU A 76 4.590 5.517 2.501 1.00 0.00 C ATOM 1167 O LEU A 76 3.637 4.937 3.025 1.00 0.00 O ATOM 1168 CB LEU A 76 4.126 6.051 0.102 1.00 0.00 C ATOM 1169 CG LEU A 76 3.378 6.946 -0.887 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.696 6.543 -2.318 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.879 6.884 -0.633 1.00 0.00 C ATOM 0 H LEU A 76 5.894 7.711 0.540 1.00 0.00 H new ATOM 0 HA LEU A 76 3.483 7.205 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.092 5.793 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.568 5.121 0.214 1.00 0.00 H new ATOM 0 HG LEU A 76 3.709 7.974 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.155 7.191 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.767 6.640 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.394 5.508 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.362 7.527 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.532 5.858 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.667 7.223 0.381 1.00 0.00 H new ATOM 1183 N LEU A 77 5.855 5.216 2.770 1.00 0.00 N ATOM 1184 CA LEU A 77 6.207 4.164 3.717 1.00 0.00 C ATOM 1185 C LEU A 77 6.304 4.718 5.135 1.00 0.00 C ATOM 1186 O LEU A 77 6.093 3.997 6.109 1.00 0.00 O ATOM 1187 CB LEU A 77 7.534 3.515 3.319 1.00 0.00 C ATOM 1188 CG LEU A 77 7.439 2.319 2.372 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.826 1.853 1.959 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.664 1.183 3.023 1.00 0.00 C ATOM 0 H LEU A 77 6.655 5.686 2.346 1.00 0.00 H new ATOM 0 HA LEU A 77 5.420 3.410 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.161 4.274 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.045 3.194 4.227 1.00 0.00 H new ATOM 0 HG LEU A 77 6.902 2.631 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.738 1.001 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.346 2.665 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.389 1.558 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.607 0.340 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.172 0.872 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.657 1.522 3.266 1.00 0.00 H new ATOM 1202 N ASN A 78 6.623 6.004 5.242 1.00 0.00 N ATOM 1203 CA ASN A 78 6.746 6.655 6.541 1.00 0.00 C ATOM 1204 C ASN A 78 5.372 6.907 7.155 1.00 0.00 C ATOM 1205 O ASN A 78 5.214 6.883 8.375 1.00 0.00 O ATOM 1206 CB ASN A 78 7.505 7.977 6.402 1.00 0.00 C ATOM 1207 CG ASN A 78 9.003 7.802 6.557 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.471 6.788 7.075 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.764 8.793 6.107 1.00 0.00 N ATOM 0 H ASN A 78 6.801 6.615 4.445 1.00 0.00 H new ATOM 0 HA ASN A 78 7.304 5.991 7.202 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.292 8.414 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.144 8.681 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.779 8.732 6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.333 9.615 5.684 1.00 0.00 H new ATOM 1216 N GLU A 79 4.383 7.148 6.301 1.00 0.00 N ATOM 1217 CA GLU A 79 3.023 7.404 6.761 1.00 0.00 C ATOM 1218 C GLU A 79 2.274 6.096 6.999 1.00 0.00 C ATOM 1219 O GLU A 79 1.460 5.993 7.916 1.00 0.00 O ATOM 1220 CB GLU A 79 2.268 8.258 5.740 1.00 0.00 C ATOM 1221 CG GLU A 79 2.756 9.695 5.669 1.00 0.00 C ATOM 1222 CD GLU A 79 2.428 10.485 6.922 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.273 10.944 7.047 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.325 10.644 7.775 1.00 0.00 O ATOM 0 H GLU A 79 4.497 7.171 5.288 1.00 0.00 H new ATOM 0 HA GLU A 79 3.082 7.946 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.364 7.801 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.207 8.255 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.835 9.701 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.305 10.186 4.806 1.00 0.00 H new ATOM 1231 N GLY A 80 2.554 5.099 6.165 1.00 0.00 N ATOM 1232 CA GLY A 80 1.899 3.812 6.301 1.00 0.00 C ATOM 1233 C GLY A 80 1.228 3.365 5.017 1.00 0.00 C ATOM 1234 O GLY A 80 0.949 2.180 4.834 1.00 0.00 O ATOM 0 H GLY A 80 3.223 5.160 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.632 3.065 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.155 3.868 7.096 1.00 0.00 H new ATOM 1238 N TYR A 81 0.965 4.315 4.127 1.00 0.00 N ATOM 1239 CA TYR A 81 0.318 4.014 2.856 1.00 0.00 C ATOM 1240 C TYR A 81 0.882 2.733 2.248 1.00 0.00 C ATOM 1241 O TYR A 81 0.146 1.925 1.679 1.00 0.00 O ATOM 1242 CB TYR A 81 0.499 5.177 1.879 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.147 6.463 2.343 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.529 6.574 2.439 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.624 7.567 2.685 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.123 7.747 2.862 1.00 0.00 C ATOM 1247 CE2 TYR A 81 0.038 8.744 3.110 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.336 8.829 3.197 1.00 0.00 C ATOM 1249 OH TYR A 81 -1.923 10.000 3.619 1.00 0.00 O ATOM 0 H TYR A 81 1.190 5.301 4.262 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.746 3.869 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.564 5.350 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.080 4.897 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.149 5.729 2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.700 7.504 2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.199 7.817 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.652 9.593 3.373 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.228 10.662 3.816 1.00 0.00 H new ATOM 1259 N LEU A 82 2.192 2.553 2.373 1.00 0.00 N ATOM 1260 CA LEU A 82 2.856 1.370 1.837 1.00 0.00 C ATOM 1261 C LEU A 82 3.486 0.546 2.955 1.00 0.00 C ATOM 1262 O LEU A 82 3.860 1.081 3.998 1.00 0.00 O ATOM 1263 CB LEU A 82 3.927 1.778 0.824 1.00 0.00 C ATOM 1264 CG LEU A 82 3.417 2.372 -0.490 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.564 2.981 -1.281 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.704 1.310 -1.314 1.00 0.00 C ATOM 0 H LEU A 82 2.815 3.211 2.841 1.00 0.00 H new ATOM 0 HA LEU A 82 2.106 0.757 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.587 2.506 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.532 0.902 0.593 1.00 0.00 H new ATOM 0 HG LEU A 82 2.704 3.162 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.182 3.399 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.032 3.771 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.302 2.210 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.348 1.750 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.396 0.498 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.857 0.920 -0.750 1.00 0.00 H new ATOM 1278 N GLN A 83 3.600 -0.759 2.729 1.00 0.00 N ATOM 1279 CA GLN A 83 4.186 -1.657 3.718 1.00 0.00 C ATOM 1280 C GLN A 83 5.288 -2.507 3.096 1.00 0.00 C ATOM 1281 O GLN A 83 5.132 -3.075 2.015 1.00 0.00 O ATOM 1282 CB GLN A 83 3.108 -2.559 4.320 1.00 0.00 C ATOM 1283 CG GLN A 83 2.054 -1.803 5.112 1.00 0.00 C ATOM 1284 CD GLN A 83 2.557 -1.349 6.468 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.149 -2.128 7.216 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.324 -0.082 6.793 1.00 0.00 N ATOM 0 H GLN A 83 3.295 -1.218 1.871 1.00 0.00 H new ATOM 0 HA GLN A 83 4.625 -1.049 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.620 -3.113 3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.582 -3.293 4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.729 -0.934 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.180 -2.440 5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.830 0.529 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.640 0.280 7.693 1.00 0.00 H new ATOM 1295 N PRO A 84 6.431 -2.597 3.792 1.00 0.00 N ATOM 1296 CA PRO A 84 7.582 -3.376 3.327 1.00 0.00 C ATOM 1297 C PRO A 84 7.322 -4.878 3.371 1.00 0.00 C ATOM 1298 O PRO A 84 6.792 -5.397 4.353 1.00 0.00 O ATOM 1299 CB PRO A 84 8.690 -2.996 4.313 1.00 0.00 C ATOM 1300 CG PRO A 84 7.970 -2.581 5.549 1.00 0.00 C ATOM 1301 CD PRO A 84 6.687 -1.946 5.088 1.00 0.00 C ATOM 0 HA PRO A 84 7.826 -3.160 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.355 -3.838 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.307 -2.186 3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.772 -3.439 6.192 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.566 -1.878 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.875 -2.122 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.788 -0.866 4.982 1.00 0.00 H new ATOM 1309 N ALA A 85 7.698 -5.571 2.302 1.00 0.00 N ATOM 1310 CA ALA A 85 7.508 -7.014 2.220 1.00 0.00 C ATOM 1311 C ALA A 85 8.829 -7.729 1.961 1.00 0.00 C ATOM 1312 O ALA A 85 9.241 -7.896 0.813 1.00 0.00 O ATOM 1313 CB ALA A 85 6.500 -7.353 1.132 1.00 0.00 C ATOM 0 H ALA A 85 8.136 -5.156 1.480 1.00 0.00 H new ATOM 0 HA ALA A 85 7.121 -7.359 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.368 -8.434 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.545 -6.881 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.864 -6.987 0.172 1.00 0.00 H new ATOM 1319 N GLY A 86 9.492 -8.148 3.035 1.00 0.00 N ATOM 1320 CA GLY A 86 10.761 -8.839 2.901 1.00 0.00 C ATOM 1321 C GLY A 86 11.814 -8.305 3.851 1.00 0.00 C ATOM 1322 O GLY A 86 11.693 -7.191 4.360 1.00 0.00 O ATOM 0 H GLY A 86 9.173 -8.021 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.614 -9.903 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.118 -8.742 1.876 1.00 0.00 H new ATOM 1326 N ASP A 87 12.850 -9.102 4.091 1.00 0.00 N ATOM 1327 CA ASP A 87 13.929 -8.704 4.987 1.00 0.00 C ATOM 1328 C ASP A 87 14.714 -7.532 4.405 1.00 0.00 C ATOM 1329 O ASP A 87 15.323 -6.754 5.139 1.00 0.00 O ATOM 1330 CB ASP A 87 14.868 -9.883 5.246 1.00 0.00 C ATOM 1331 CG ASP A 87 15.917 -9.569 6.294 1.00 0.00 C ATOM 1332 OD1 ASP A 87 15.617 -8.783 7.218 1.00 0.00 O ATOM 1333 OD2 ASP A 87 17.038 -10.110 6.192 1.00 0.00 O ATOM 0 H ASP A 87 12.965 -10.027 3.677 1.00 0.00 H new ATOM 0 HA ASP A 87 13.485 -8.389 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.284 -10.745 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.361 -10.162 4.315 1.00 0.00 H new ATOM 1338 N MET A 88 14.696 -7.414 3.081 1.00 0.00 N ATOM 1339 CA MET A 88 15.406 -6.337 2.401 1.00 0.00 C ATOM 1340 C MET A 88 14.868 -4.975 2.828 1.00 0.00 C ATOM 1341 O MET A 88 15.520 -4.246 3.574 1.00 0.00 O ATOM 1342 CB MET A 88 15.282 -6.494 0.884 1.00 0.00 C ATOM 1343 CG MET A 88 16.140 -5.514 0.100 1.00 0.00 C ATOM 1344 SD MET A 88 16.669 -6.175 -1.493 1.00 0.00 S ATOM 1345 CE MET A 88 17.052 -4.664 -2.375 1.00 0.00 C ATOM 0 H MET A 88 14.198 -8.050 2.459 1.00 0.00 H new ATOM 0 HA MET A 88 16.458 -6.396 2.681 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.562 -7.511 0.608 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.239 -6.361 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.579 -4.594 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.018 -5.253 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.394 -4.907 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.159 -4.042 -2.436 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.836 -4.122 -1.846 1.00 0.00 H new ATOM 1355 N SER A 89 13.673 -4.640 2.351 1.00 0.00 N ATOM 1356 CA SER A 89 13.049 -3.364 2.681 1.00 0.00 C ATOM 1357 C SER A 89 12.909 -3.202 4.191 1.00 0.00 C ATOM 1358 O SER A 89 13.062 -2.104 4.727 1.00 0.00 O ATOM 1359 CB SER A 89 11.676 -3.256 2.015 1.00 0.00 C ATOM 1360 OG SER A 89 10.917 -4.436 2.218 1.00 0.00 O ATOM 0 H SER A 89 13.118 -5.234 1.735 1.00 0.00 H new ATOM 0 HA SER A 89 13.690 -2.566 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.138 -2.399 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.799 -3.078 0.947 1.00 0.00 H new ATOM 0 HG SER A 89 10.043 -4.342 1.784 1.00 0.00 H new ATOM 1366 N LYS A 90 12.617 -4.304 4.873 1.00 0.00 N ATOM 1367 CA LYS A 90 12.456 -4.288 6.322 1.00 0.00 C ATOM 1368 C LYS A 90 13.702 -3.728 7.001 1.00 0.00 C ATOM 1369 O LYS A 90 13.608 -3.020 8.004 1.00 0.00 O ATOM 1370 CB LYS A 90 12.171 -5.700 6.840 1.00 0.00 C ATOM 1371 CG LYS A 90 10.722 -6.125 6.682 1.00 0.00 C ATOM 1372 CD LYS A 90 10.534 -7.597 7.007 1.00 0.00 C ATOM 1373 CE LYS A 90 9.071 -8.005 6.921 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.344 -7.734 8.192 1.00 0.00 N ATOM 0 H LYS A 90 12.487 -5.221 4.445 1.00 0.00 H new ATOM 0 HA LYS A 90 11.611 -3.642 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.808 -6.408 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.444 -5.753 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.092 -5.523 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.395 -5.932 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.122 -8.201 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.911 -7.800 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.591 -7.464 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.003 -9.067 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.351 -8.026 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.786 -8.269 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.386 -6.717 8.406 1.00 0.00 H new ATOM 1388 N SER A 91 14.867 -4.047 6.447 1.00 0.00 N ATOM 1389 CA SER A 91 16.131 -3.577 7.001 1.00 0.00 C ATOM 1390 C SER A 91 16.380 -2.120 6.626 1.00 0.00 C ATOM 1391 O SER A 91 17.278 -1.473 7.165 1.00 0.00 O ATOM 1392 CB SER A 91 17.286 -4.448 6.503 1.00 0.00 C ATOM 1393 OG SER A 91 18.427 -4.305 7.331 1.00 0.00 O ATOM 0 H SER A 91 14.962 -4.629 5.615 1.00 0.00 H new ATOM 0 HA SER A 91 16.073 -3.650 8.087 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.976 -5.493 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.539 -4.172 5.479 1.00 0.00 H new ATOM 0 HG SER A 91 18.509 -3.371 7.616 1.00 0.00 H new ATOM 1399 N ALA A 92 15.577 -1.608 5.699 1.00 0.00 N ATOM 1400 CA ALA A 92 15.708 -0.227 5.252 1.00 0.00 C ATOM 1401 C ALA A 92 14.812 0.700 6.066 1.00 0.00 C ATOM 1402 O ALA A 92 15.237 1.775 6.491 1.00 0.00 O ATOM 1403 CB ALA A 92 15.377 -0.118 3.771 1.00 0.00 C ATOM 0 H ALA A 92 14.828 -2.129 5.243 1.00 0.00 H new ATOM 0 HA ALA A 92 16.742 0.082 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.479 0.919 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.061 -0.744 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.353 -0.451 3.602 1.00 0.00 H new ATOM 1409 N VAL A 93 13.570 0.278 6.281 1.00 0.00 N ATOM 1410 CA VAL A 93 12.615 1.071 7.045 1.00 0.00 C ATOM 1411 C VAL A 93 13.039 1.187 8.504 1.00 0.00 C ATOM 1412 O VAL A 93 12.763 2.189 9.164 1.00 0.00 O ATOM 1413 CB VAL A 93 11.201 0.462 6.980 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.605 0.643 5.592 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.237 -1.009 7.366 1.00 0.00 C ATOM 0 H VAL A 93 13.202 -0.609 5.937 1.00 0.00 H new ATOM 0 HA VAL A 93 12.597 2.064 6.595 1.00 0.00 H new ATOM 0 HB VAL A 93 10.565 0.986 7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.606 0.207 5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.543 1.706 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.238 0.146 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.230 -1.423 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.887 -1.550 6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.619 -1.109 8.382 1.00 0.00 H new ATOM 1425 N ASP A 94 13.713 0.156 9.003 1.00 0.00 N ATOM 1426 CA ASP A 94 14.178 0.142 10.385 1.00 0.00 C ATOM 1427 C ASP A 94 15.406 1.032 10.554 1.00 0.00 C ATOM 1428 O ASP A 94 15.458 1.870 11.452 1.00 0.00 O ATOM 1429 CB ASP A 94 14.504 -1.287 10.821 1.00 0.00 C ATOM 1430 CG ASP A 94 14.839 -1.379 12.297 1.00 0.00 C ATOM 1431 OD1 ASP A 94 16.004 -1.112 12.658 1.00 0.00 O ATOM 1432 OD2 ASP A 94 13.937 -1.720 13.090 1.00 0.00 O ATOM 0 H ASP A 94 13.949 -0.681 8.470 1.00 0.00 H new ATOM 0 HA ASP A 94 13.379 0.532 11.016 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.654 -1.933 10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.345 -1.659 10.236 1.00 0.00 H new ATOM 1437 N GLY A 95 16.392 0.842 9.683 1.00 0.00 N ATOM 1438 CA GLY A 95 17.607 1.633 9.754 1.00 0.00 C ATOM 1439 C GLY A 95 17.328 3.123 9.760 1.00 0.00 C ATOM 1440 O GLY A 95 16.445 3.601 9.047 1.00 0.00 O ATOM 0 H GLY A 95 16.371 0.155 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.159 1.366 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.246 1.389 8.905 1.00 0.00 H new ATOM 1444 N THR A 96 18.082 3.862 10.568 1.00 0.00 N ATOM 1445 CA THR A 96 17.911 5.306 10.666 1.00 0.00 C ATOM 1446 C THR A 96 18.432 6.008 9.418 1.00 0.00 C ATOM 1447 O THR A 96 19.444 6.707 9.464 1.00 0.00 O ATOM 1448 CB THR A 96 18.634 5.875 11.901 1.00 0.00 C ATOM 1449 OG1 THR A 96 19.896 5.219 12.075 1.00 0.00 O ATOM 1450 CG2 THR A 96 17.789 5.698 13.153 1.00 0.00 C ATOM 0 H THR A 96 18.818 3.483 11.165 1.00 0.00 H new ATOM 0 HA THR A 96 16.841 5.491 10.763 1.00 0.00 H new ATOM 0 HB THR A 96 18.797 6.941 11.740 1.00 0.00 H new ATOM 0 HG1 THR A 96 20.351 5.587 12.861 1.00 0.00 H new ATOM 0 HG21 THR A 96 18.321 6.108 14.012 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.841 6.222 13.029 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.598 4.637 13.316 1.00 0.00 H new ATOM 1458 N ALA A 97 17.734 5.817 8.303 1.00 0.00 N ATOM 1459 CA ALA A 97 18.126 6.435 7.042 1.00 0.00 C ATOM 1460 C ALA A 97 17.149 7.537 6.644 1.00 0.00 C ATOM 1461 O ALA A 97 16.084 7.680 7.243 1.00 0.00 O ATOM 1462 CB ALA A 97 18.215 5.385 5.945 1.00 0.00 C ATOM 0 H ALA A 97 16.895 5.240 8.247 1.00 0.00 H new ATOM 0 HA ALA A 97 19.108 6.887 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.509 5.861 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.957 4.635 6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.244 4.906 5.820 1.00 0.00 H new ATOM 1468 N GLU A 98 17.521 8.313 5.630 1.00 0.00 N ATOM 1469 CA GLU A 98 16.677 9.402 5.154 1.00 0.00 C ATOM 1470 C GLU A 98 15.557 8.874 4.263 1.00 0.00 C ATOM 1471 O GLU A 98 14.414 9.320 4.354 1.00 0.00 O ATOM 1472 CB GLU A 98 17.514 10.427 4.386 1.00 0.00 C ATOM 1473 CG GLU A 98 18.778 10.850 5.116 1.00 0.00 C ATOM 1474 CD GLU A 98 18.517 11.907 6.171 1.00 0.00 C ATOM 1475 OE1 GLU A 98 18.176 11.533 7.313 1.00 0.00 O ATOM 1476 OE2 GLU A 98 18.653 13.108 5.855 1.00 0.00 O ATOM 0 H GLU A 98 18.400 8.207 5.123 1.00 0.00 H new ATOM 0 HA GLU A 98 16.229 9.886 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.787 10.008 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.904 11.309 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.231 9.977 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.499 11.233 4.394 1.00 0.00 H new ATOM 1483 N ASN A 99 15.895 7.920 3.401 1.00 0.00 N ATOM 1484 CA ASN A 99 14.919 7.331 2.491 1.00 0.00 C ATOM 1485 C ASN A 99 14.796 5.829 2.724 1.00 0.00 C ATOM 1486 O ASN A 99 15.682 5.047 2.378 1.00 0.00 O ATOM 1487 CB ASN A 99 15.315 7.603 1.039 1.00 0.00 C ATOM 1488 CG ASN A 99 15.761 9.035 0.819 1.00 0.00 C ATOM 1489 OD1 ASN A 99 15.164 9.972 1.351 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.816 9.212 0.032 1.00 0.00 N ATOM 0 H ASN A 99 16.837 7.539 3.314 1.00 0.00 H new ATOM 0 HA ASN A 99 13.951 7.792 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.120 6.927 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.469 7.385 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.162 10.153 -0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.280 8.406 -0.388 1.00 0.00 H new ATOM 1497 N PRO A 100 13.671 5.413 3.325 1.00 0.00 N ATOM 1498 CA PRO A 100 13.404 4.002 3.617 1.00 0.00 C ATOM 1499 C PRO A 100 13.147 3.187 2.354 1.00 0.00 C ATOM 1500 O PRO A 100 13.187 1.957 2.378 1.00 0.00 O ATOM 1501 CB PRO A 100 12.146 4.051 4.488 1.00 0.00 C ATOM 1502 CG PRO A 100 11.472 5.323 4.107 1.00 0.00 C ATOM 1503 CD PRO A 100 12.572 6.289 3.766 1.00 0.00 C ATOM 0 HA PRO A 100 14.253 3.518 4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.502 3.191 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.398 4.038 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.807 5.173 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.861 5.701 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.270 6.981 2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.859 6.891 4.628 1.00 0.00 H new ATOM 1511 N PHE A 101 12.883 3.881 1.252 1.00 0.00 N ATOM 1512 CA PHE A 101 12.618 3.221 -0.021 1.00 0.00 C ATOM 1513 C PHE A 101 13.921 2.821 -0.708 1.00 0.00 C ATOM 1514 O PHE A 101 14.845 3.626 -0.828 1.00 0.00 O ATOM 1515 CB PHE A 101 11.807 4.140 -0.937 1.00 0.00 C ATOM 1516 CG PHE A 101 10.862 3.402 -1.842 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.620 2.992 -1.383 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.216 3.118 -3.151 1.00 0.00 C ATOM 1519 CE1 PHE A 101 8.748 2.313 -2.214 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.348 2.440 -3.986 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.113 2.036 -3.517 1.00 0.00 C ATOM 0 H PHE A 101 12.847 4.900 1.215 1.00 0.00 H new ATOM 0 HA PHE A 101 12.041 2.318 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.239 4.840 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.492 4.731 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.330 3.205 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.181 3.430 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.783 2.000 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.635 2.226 -5.005 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.434 1.505 -4.168 1.00 0.00 H new ATOM 1531 N LEU A 102 13.987 1.573 -1.157 1.00 0.00 N ATOM 1532 CA LEU A 102 15.176 1.064 -1.832 1.00 0.00 C ATOM 1533 C LEU A 102 15.031 1.173 -3.346 1.00 0.00 C ATOM 1534 O LEU A 102 15.959 0.860 -4.093 1.00 0.00 O ATOM 1535 CB LEU A 102 15.429 -0.391 -1.435 1.00 0.00 C ATOM 1536 CG LEU A 102 15.649 -0.652 0.055 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.768 -2.144 0.324 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.887 0.081 0.548 1.00 0.00 C ATOM 0 H LEU A 102 13.231 0.894 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 102 16.027 1.671 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.581 -0.990 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.304 -0.748 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 102 14.785 -0.273 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.924 -2.310 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.852 -2.645 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.613 -2.548 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 102 17.028 -0.116 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.760 -0.267 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.762 1.152 0.392 1.00 0.00 H new ATOM 1550 N ASP A 103 13.863 1.620 -3.793 1.00 0.00 N ATOM 1551 CA ASP A 103 13.597 1.773 -5.219 1.00 0.00 C ATOM 1552 C ASP A 103 14.281 0.671 -6.021 1.00 0.00 C ATOM 1553 O ASP A 103 14.979 0.942 -6.997 1.00 0.00 O ATOM 1554 CB ASP A 103 14.072 3.144 -5.703 1.00 0.00 C ATOM 1555 CG ASP A 103 14.004 3.280 -7.212 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.320 2.454 -7.852 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.633 4.214 -7.751 1.00 0.00 O ATOM 0 H ASP A 103 13.085 1.883 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 103 12.521 1.694 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.461 3.920 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.098 3.308 -5.372 1.00 0.00 H new ATOM 1562 N ASN A 104 14.077 -0.574 -5.601 1.00 0.00 N ATOM 1563 CA ASN A 104 14.676 -1.718 -6.279 1.00 0.00 C ATOM 1564 C ASN A 104 13.619 -2.765 -6.616 1.00 0.00 C ATOM 1565 O ASN A 104 12.588 -2.878 -5.953 1.00 0.00 O ATOM 1566 CB ASN A 104 15.767 -2.341 -5.406 1.00 0.00 C ATOM 1567 CG ASN A 104 17.130 -1.726 -5.657 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.448 -1.332 -6.779 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.943 -1.642 -4.610 1.00 0.00 N ATOM 0 H ASN A 104 13.501 -0.816 -4.794 1.00 0.00 H new ATOM 0 HA ASN A 104 15.122 -1.365 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.503 -2.217 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.814 -3.413 -5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.873 -1.238 -4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.637 -1.982 -3.698 1.00 0.00 H new ATOM 1576 N PRO A 105 13.879 -3.550 -7.672 1.00 0.00 N ATOM 1577 CA PRO A 105 12.963 -4.602 -8.121 1.00 0.00 C ATOM 1578 C PRO A 105 12.900 -5.771 -7.144 1.00 0.00 C ATOM 1579 O PRO A 105 12.043 -6.647 -7.265 1.00 0.00 O ATOM 1580 CB PRO A 105 13.566 -5.052 -9.455 1.00 0.00 C ATOM 1581 CG PRO A 105 15.014 -4.715 -9.348 1.00 0.00 C ATOM 1582 CD PRO A 105 15.089 -3.470 -8.509 1.00 0.00 C ATOM 0 HA PRO A 105 11.937 -4.242 -8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.419 -6.120 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.100 -4.536 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.571 -5.530 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.450 -4.548 -10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.995 -3.447 -7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.093 -2.570 -9.124 1.00 0.00 H new ATOM 1590 N ASP A 106 13.810 -5.778 -6.177 1.00 0.00 N ATOM 1591 CA ASP A 106 13.856 -6.838 -5.177 1.00 0.00 C ATOM 1592 C ASP A 106 13.093 -6.434 -3.920 1.00 0.00 C ATOM 1593 O ASP A 106 12.827 -7.263 -3.050 1.00 0.00 O ATOM 1594 CB ASP A 106 15.306 -7.173 -4.824 1.00 0.00 C ATOM 1595 CG ASP A 106 16.195 -7.263 -6.049 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.912 -8.106 -6.926 1.00 0.00 O ATOM 1597 OD2 ASP A 106 17.172 -6.491 -6.131 1.00 0.00 O ATOM 0 H ASP A 106 14.527 -5.061 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 106 13.380 -7.723 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.698 -6.411 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.336 -8.121 -4.286 1.00 0.00 H new ATOM 1602 N ALA A 107 12.746 -5.154 -3.831 1.00 0.00 N ATOM 1603 CA ALA A 107 12.013 -4.640 -2.680 1.00 0.00 C ATOM 1604 C ALA A 107 10.508 -4.707 -2.914 1.00 0.00 C ATOM 1605 O ALA A 107 9.941 -3.872 -3.620 1.00 0.00 O ATOM 1606 CB ALA A 107 12.440 -3.211 -2.379 1.00 0.00 C ATOM 0 H ALA A 107 12.960 -4.454 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 107 12.248 -5.267 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.885 -2.839 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.508 -3.189 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.234 -2.580 -3.243 1.00 0.00 H new ATOM 1612 N PHE A 108 9.865 -5.705 -2.317 1.00 0.00 N ATOM 1613 CA PHE A 108 8.425 -5.882 -2.462 1.00 0.00 C ATOM 1614 C PHE A 108 7.666 -4.990 -1.483 1.00 0.00 C ATOM 1615 O PHE A 108 8.111 -4.767 -0.356 1.00 0.00 O ATOM 1616 CB PHE A 108 8.044 -7.346 -2.235 1.00 0.00 C ATOM 1617 CG PHE A 108 8.844 -8.309 -3.066 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.955 -8.136 -4.436 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.484 -9.387 -2.476 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.691 -9.020 -5.203 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.222 -10.273 -3.238 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.324 -10.091 -4.603 1.00 0.00 C ATOM 0 H PHE A 108 10.319 -6.404 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 108 8.150 -5.595 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.179 -7.589 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.985 -7.477 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.461 -7.301 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.405 -9.537 -1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.771 -8.873 -6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.719 -11.108 -2.766 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.897 -10.785 -5.200 1.00 0.00 H new ATOM 1632 N TYR A 109 6.520 -4.482 -1.921 1.00 0.00 N ATOM 1633 CA TYR A 109 5.700 -3.613 -1.085 1.00 0.00 C ATOM 1634 C TYR A 109 4.216 -3.882 -1.311 1.00 0.00 C ATOM 1635 O TYR A 109 3.828 -4.498 -2.304 1.00 0.00 O ATOM 1636 CB TYR A 109 6.014 -2.145 -1.379 1.00 0.00 C ATOM 1637 CG TYR A 109 7.350 -1.690 -0.835 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.550 -1.539 0.532 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.411 -1.413 -1.687 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.768 -1.123 1.034 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.634 -0.999 -1.194 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.807 -0.854 0.167 1.00 0.00 C ATOM 1643 OH TYR A 109 11.022 -0.441 0.663 1.00 0.00 O ATOM 0 H TYR A 109 6.137 -4.657 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 109 5.935 -3.827 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.998 -1.988 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.227 -1.522 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.739 -1.750 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.278 -1.523 -2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.906 -1.009 2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.450 -0.790 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 109 11.646 -0.295 -0.079 1.00 0.00 H new ATOM 1653 N TYR A 110 3.389 -3.415 -0.382 1.00 0.00 N ATOM 1654 CA TYR A 110 1.947 -3.605 -0.476 1.00 0.00 C ATOM 1655 C TYR A 110 1.205 -2.595 0.393 1.00 0.00 C ATOM 1656 O TYR A 110 1.801 -1.935 1.245 1.00 0.00 O ATOM 1657 CB TYR A 110 1.571 -5.028 -0.057 1.00 0.00 C ATOM 1658 CG TYR A 110 1.870 -5.331 1.393 1.00 0.00 C ATOM 1659 CD1 TYR A 110 1.042 -4.863 2.406 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.981 -6.084 1.751 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.312 -5.137 3.733 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.258 -6.364 3.075 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.421 -5.888 4.063 1.00 0.00 C ATOM 1664 OH TYR A 110 2.694 -6.164 5.383 1.00 0.00 O ATOM 0 H TYR A 110 3.693 -2.902 0.445 1.00 0.00 H new ATOM 0 HA TYR A 110 1.653 -3.448 -1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.508 -5.183 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.109 -5.737 -0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.173 -4.275 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.640 -6.457 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.658 -4.765 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.125 -6.953 3.335 1.00 0.00 H new ATOM 0 HH TYR A 110 3.510 -6.704 5.442 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.100 -2.479 0.172 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.925 -1.548 0.934 1.00 0.00 C ATOM 1676 C PHE A 111 -1.525 -2.232 2.159 1.00 0.00 C ATOM 1677 O PHE A 111 -1.880 -3.410 2.133 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.042 -0.984 0.053 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.556 -0.459 -1.268 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.783 0.690 -1.330 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.870 -1.115 -2.447 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.336 1.175 -2.544 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.425 -0.634 -3.664 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.656 0.512 -3.712 1.00 0.00 C ATOM 0 H PHE A 111 -0.609 -3.018 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.289 -0.729 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.782 -1.764 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.547 -0.181 0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.527 1.212 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.470 -2.013 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.264 2.073 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.678 -1.154 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.306 0.889 -4.661 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.641 -1.475 3.261 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.197 -1.986 4.517 1.00 0.00 C ATOM 1696 C PRO A 112 -3.696 -2.250 4.422 1.00 0.00 C ATOM 1697 O PRO A 112 -4.248 -3.033 5.195 1.00 0.00 O ATOM 1698 CB PRO A 112 -1.915 -0.859 5.514 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.824 0.372 4.679 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.238 -0.062 3.364 1.00 0.00 C ATOM 0 HA PRO A 112 -1.757 -2.943 4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.711 -0.777 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.988 -1.036 6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.807 0.822 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.195 1.123 5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.629 0.529 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.154 0.049 3.351 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.349 -1.593 3.470 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.784 -1.758 3.273 1.00 0.00 C ATOM 1710 C ASP A 113 -6.074 -2.933 2.344 1.00 0.00 C ATOM 1711 O ASP A 113 -7.197 -3.433 2.291 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.393 -0.477 2.701 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.330 0.681 3.678 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -5.384 0.719 4.492 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -7.227 1.548 3.628 1.00 0.00 O ATOM 0 H ASP A 113 -3.907 -0.941 2.822 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.237 -1.965 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.867 -0.205 1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.432 -0.662 2.428 1.00 0.00 H new ATOM 1720 N SER A 114 -5.052 -3.368 1.613 1.00 0.00 N ATOM 1721 CA SER A 114 -5.198 -4.481 0.683 1.00 0.00 C ATOM 1722 C SER A 114 -5.399 -5.794 1.433 1.00 0.00 C ATOM 1723 O SER A 114 -6.280 -6.585 1.098 1.00 0.00 O ATOM 1724 CB SER A 114 -3.969 -4.580 -0.223 1.00 0.00 C ATOM 1725 OG SER A 114 -3.861 -5.872 -0.797 1.00 0.00 O ATOM 0 H SER A 114 -4.115 -2.967 1.647 1.00 0.00 H new ATOM 0 HA SER A 114 -6.079 -4.296 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.035 -3.832 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.070 -4.358 0.352 1.00 0.00 H new ATOM 0 HG SER A 114 -3.069 -5.909 -1.373 1.00 0.00 H new ATOM 1731 N GLY A 115 -4.573 -6.019 2.451 1.00 0.00 N ATOM 1732 CA GLY A 115 -4.675 -7.237 3.233 1.00 0.00 C ATOM 1733 C GLY A 115 -3.599 -8.245 2.880 1.00 0.00 C ATOM 1734 O GLY A 115 -3.825 -9.454 2.945 1.00 0.00 O ATOM 0 H GLY A 115 -3.836 -5.380 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.605 -6.992 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.655 -7.686 3.074 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.426 -7.748 2.503 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.312 -8.614 2.135 1.00 0.00 C ATOM 1740 C PHE A 116 -1.275 -9.858 3.017 1.00 0.00 C ATOM 1741 O PHE A 116 -1.670 -9.818 4.183 1.00 0.00 O ATOM 1742 CB PHE A 116 0.012 -7.854 2.251 1.00 0.00 C ATOM 1743 CG PHE A 116 1.203 -8.750 2.438 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.826 -9.332 1.346 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.699 -9.009 3.705 1.00 0.00 C ATOM 1746 CE1 PHE A 116 2.922 -10.158 1.515 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.795 -9.833 3.881 1.00 0.00 C ATOM 1748 CZ PHE A 116 3.407 -10.407 2.784 1.00 0.00 C ATOM 0 H PHE A 116 -2.222 -6.750 2.444 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.455 -8.927 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 116 0.157 -7.253 1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.048 -7.162 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.451 -9.138 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.224 -8.562 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.398 -10.608 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.172 -10.027 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 116 4.264 -11.050 2.918 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.800 -10.963 2.452 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.713 -12.220 3.186 1.00 0.00 C ATOM 1760 C PHE A 117 0.374 -13.117 2.602 1.00 0.00 C ATOM 1761 O PHE A 117 0.427 -13.338 1.391 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.060 -12.947 3.156 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.294 -13.722 1.891 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.724 -14.972 1.714 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.086 -13.201 0.880 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.937 -15.688 0.550 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.303 -13.912 -0.285 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.729 -15.158 -0.449 1.00 0.00 C ATOM 0 H PHE A 117 -0.469 -11.014 1.488 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.454 -11.991 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.116 -13.628 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.861 -12.218 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.106 -15.392 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.539 -12.228 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.484 -16.660 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.921 -13.494 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.900 -15.717 -1.357 1.00 0.00 H new ATOM 1778 N CYS A 118 1.240 -13.629 3.469 1.00 0.00 N ATOM 1779 CA CYS A 118 2.328 -14.501 3.040 1.00 0.00 C ATOM 1780 C CYS A 118 1.994 -15.963 3.317 1.00 0.00 C ATOM 1781 O CYS A 118 1.399 -16.290 4.343 1.00 0.00 O ATOM 1782 CB CYS A 118 3.626 -14.118 3.752 1.00 0.00 C ATOM 1783 SG CYS A 118 3.416 -13.706 5.500 1.00 0.00 S ATOM 0 H CYS A 118 1.210 -13.455 4.474 1.00 0.00 H new ATOM 0 HA CYS A 118 2.460 -14.375 1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.332 -14.944 3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.071 -13.265 3.240 1.00 0.00 H new ATOM 0 HG CYS A 118 4.569 -13.398 6.015 1.00 0.00 H new ATOM 1789 N GLU A 119 2.379 -16.838 2.392 1.00 0.00 N ATOM 1790 CA GLU A 119 2.118 -18.265 2.536 1.00 0.00 C ATOM 1791 C GLU A 119 3.408 -19.070 2.406 1.00 0.00 C ATOM 1792 O GLU A 119 3.688 -19.646 1.355 1.00 0.00 O ATOM 1793 CB GLU A 119 1.106 -18.729 1.487 1.00 0.00 C ATOM 1794 CG GLU A 119 1.155 -17.927 0.197 1.00 0.00 C ATOM 1795 CD GLU A 119 0.690 -18.726 -1.005 1.00 0.00 C ATOM 1796 OE1 GLU A 119 0.155 -19.837 -0.808 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.860 -18.239 -2.142 1.00 0.00 O ATOM 0 H GLU A 119 2.872 -16.583 1.536 1.00 0.00 H new ATOM 0 HA GLU A 119 1.704 -18.434 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.287 -19.779 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.103 -18.663 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.531 -17.039 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.175 -17.582 0.027 1.00 0.00 H new ATOM 1804 N GLU A 120 4.188 -19.104 3.481 1.00 0.00 N ATOM 1805 CA GLU A 120 5.449 -19.837 3.486 1.00 0.00 C ATOM 1806 C GLU A 120 5.295 -21.189 2.796 1.00 0.00 C ATOM 1807 O GLU A 120 4.282 -21.869 2.957 1.00 0.00 O ATOM 1808 CB GLU A 120 5.942 -20.039 4.921 1.00 0.00 C ATOM 1809 CG GLU A 120 7.456 -20.060 5.047 1.00 0.00 C ATOM 1810 CD GLU A 120 8.030 -21.460 4.937 1.00 0.00 C ATOM 1811 OE1 GLU A 120 7.346 -22.417 5.355 1.00 0.00 O ATOM 1812 OE2 GLU A 120 9.164 -21.596 4.432 1.00 0.00 O ATOM 0 H GLU A 120 3.970 -18.633 4.359 1.00 0.00 H new ATOM 0 HA GLU A 120 6.183 -19.249 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.545 -19.241 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.541 -20.977 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.891 -19.431 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.743 -19.627 6.005 1.00 0.00 H new ATOM 1819 N ASN A 121 6.308 -21.572 2.025 1.00 0.00 N ATOM 1820 CA ASN A 121 6.285 -22.842 1.309 1.00 0.00 C ATOM 1821 C ASN A 121 7.194 -23.865 1.985 1.00 0.00 C ATOM 1822 O ASN A 121 8.404 -23.879 1.760 1.00 0.00 O ATOM 1823 CB ASN A 121 6.720 -22.639 -0.144 1.00 0.00 C ATOM 1824 CG ASN A 121 5.547 -22.358 -1.064 1.00 0.00 C ATOM 1825 OD1 ASN A 121 4.452 -22.027 -0.609 1.00 0.00 O ATOM 1826 ND2 ASN A 121 5.772 -22.490 -2.367 1.00 0.00 N ATOM 0 H ASN A 121 7.154 -21.021 1.880 1.00 0.00 H new ATOM 0 HA ASN A 121 5.264 -23.222 1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 121 7.426 -21.811 -0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 121 7.246 -23.529 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 121 5.021 -22.315 -3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 121 6.696 -22.767 -2.700 1.00 0.00 H new ATOM 1833 N SER A 122 6.601 -24.719 2.813 1.00 0.00 N ATOM 1834 CA SER A 122 7.357 -25.743 3.525 1.00 0.00 C ATOM 1835 C SER A 122 7.985 -26.732 2.547 1.00 0.00 C ATOM 1836 O SER A 122 9.133 -27.140 2.712 1.00 0.00 O ATOM 1837 CB SER A 122 6.449 -26.486 4.507 1.00 0.00 C ATOM 1838 OG SER A 122 5.249 -26.900 3.879 1.00 0.00 O ATOM 0 H SER A 122 5.600 -24.722 3.007 1.00 0.00 H new ATOM 0 HA SER A 122 8.155 -25.251 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.973 -27.355 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.216 -25.839 5.353 1.00 0.00 H new ATOM 0 HG SER A 122 4.687 -27.374 4.527 1.00 0.00 H new ATOM 1844 N GLY A 123 7.221 -27.113 1.528 1.00 0.00 N ATOM 1845 CA GLY A 123 7.719 -28.051 0.538 1.00 0.00 C ATOM 1846 C GLY A 123 6.666 -29.054 0.110 1.00 0.00 C ATOM 1847 O GLY A 123 5.490 -28.938 0.455 1.00 0.00 O ATOM 0 H GLY A 123 6.267 -26.789 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.069 -27.501 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.579 -28.583 0.946 1.00 0.00 H new ATOM 1851 N PRO A 124 7.088 -30.067 -0.661 1.00 0.00 N ATOM 1852 CA PRO A 124 6.189 -31.114 -1.154 1.00 0.00 C ATOM 1853 C PRO A 124 5.705 -32.036 -0.040 1.00 0.00 C ATOM 1854 O PRO A 124 6.412 -32.958 0.367 1.00 0.00 O ATOM 1855 CB PRO A 124 7.057 -31.889 -2.149 1.00 0.00 C ATOM 1856 CG PRO A 124 8.456 -31.655 -1.692 1.00 0.00 C ATOM 1857 CD PRO A 124 8.476 -30.268 -1.111 1.00 0.00 C ATOM 0 HA PRO A 124 5.282 -30.697 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 124 6.812 -32.951 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 124 6.908 -31.531 -3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 124 8.752 -32.394 -0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.157 -31.740 -2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 124 9.182 -30.189 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.769 -29.526 -1.853 1.00 0.00 H new ATOM 1865 N SER A 125 4.497 -31.780 0.451 1.00 0.00 N ATOM 1866 CA SER A 125 3.920 -32.585 1.522 1.00 0.00 C ATOM 1867 C SER A 125 3.829 -34.051 1.110 1.00 0.00 C ATOM 1868 O SER A 125 4.321 -34.936 1.810 1.00 0.00 O ATOM 1869 CB SER A 125 2.532 -32.060 1.892 1.00 0.00 C ATOM 1870 OG SER A 125 1.992 -32.776 2.989 1.00 0.00 O ATOM 0 H SER A 125 3.898 -31.021 0.124 1.00 0.00 H new ATOM 0 HA SER A 125 4.572 -32.510 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.595 -31.001 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 125 1.866 -32.147 1.034 1.00 0.00 H new ATOM 0 HG SER A 125 1.105 -32.420 3.207 1.00 0.00 H new ATOM 1876 N SER A 126 3.195 -34.300 -0.031 1.00 0.00 N ATOM 1877 CA SER A 126 3.034 -35.659 -0.536 1.00 0.00 C ATOM 1878 C SER A 126 4.261 -36.091 -1.334 1.00 0.00 C ATOM 1879 O SER A 126 5.028 -35.257 -1.813 1.00 0.00 O ATOM 1880 CB SER A 126 1.783 -35.757 -1.410 1.00 0.00 C ATOM 1881 OG SER A 126 1.301 -37.088 -1.464 1.00 0.00 O ATOM 0 H SER A 126 2.784 -33.579 -0.624 1.00 0.00 H new ATOM 0 HA SER A 126 2.924 -36.327 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 126 1.007 -35.102 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 126 2.011 -35.409 -2.417 1.00 0.00 H new ATOM 0 HG SER A 126 0.500 -37.123 -2.027 1.00 0.00 H new ATOM 1887 N GLY A 127 4.439 -37.401 -1.471 1.00 0.00 N ATOM 1888 CA GLY A 127 5.574 -37.922 -2.211 1.00 0.00 C ATOM 1889 C GLY A 127 5.176 -38.488 -3.560 1.00 0.00 C ATOM 1890 O GLY A 127 4.118 -39.104 -3.694 1.00 0.00 O ATOM 0 H GLY A 127 3.818 -38.111 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.306 -37.127 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.061 -38.700 -1.623 1.00 0.00 H new TER 1894 GLY A 127