USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 817 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 118 GLN :FLIP amide:sc= -0.318 F(o=-0.71,f=-0.15) USER MOD Set 1.2: A 120 THR OG1 : rot 180:sc= 0.167 USER MOD Set 2.1: A 77 LYS NZ :NH3+ -137:sc= 0.404 (180deg=0) USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= 0.368 USER MOD Set 3.1: A 72 SER OG : rot -163:sc= 0.451 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.109 K(o=0.34,f=-1.2) USER MOD Set 4.1: A 59 THR OG1 : rot 117:sc= 0.852 USER MOD Set 4.2: A 61 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 53 ASN : amide:sc= -0.036 X(o=-0.0013,f=-0.31) USER MOD Set 5.2: A 55 SER OG : rot 180:sc= 0.0348 USER MOD Set 6.1: A 23 CYS SG : rot 80:sc= 1.03 USER MOD Set 6.2: A 97 CYS SG : rot 169:sc= -0.702 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 8 SER OG : rot 5:sc= 0.333 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.54 F(o=-2.7!,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 101:sc= 0.731 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0251 USER MOD Single : A 29 THR OG1 : rot 34:sc= 0.191 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 32 SER OG : rot -27:sc= 0.136 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -168:sc= -0.754 (180deg=-1.59) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0821 F(o=-1.1,f=-0.082) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 0.636 (180deg=0.191) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.325 USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= 1.07 (180deg=0.172) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.263 K(o=-0.26,f=-3.3!) USER MOD Single : A 78 ASN : amide:sc= -0.0432 K(o=-0.043,f=-2.4!) USER MOD Single : A 79 THR OG1 : rot 60:sc= 0.224 USER MOD Single : A 84 MET CE :methyl -156:sc= -2.55! (180deg=-2.89) USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-2.3,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0.597 (180deg=0.41) USER MOD Single : A 92 THR OG1 : rot 177:sc= 0.145 USER MOD Single : A 95 TYR OH : rot 151:sc= 0.658 USER MOD Single : A 96 ASN : amide:sc= -0.214 X(o=-0.21,f=0.028) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.458 F(o=-1.1,f=-0.46) USER MOD Single : A 117 THR OG1 : rot 140:sc= -0.0208 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 31:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 3.182 -2.305 -6.686 1.00 0.00 N ATOM 38 CA LEU A 3 3.773 -3.002 -7.841 1.00 0.00 C ATOM 39 C LEU A 3 3.635 -2.107 -9.082 1.00 0.00 C ATOM 40 O LEU A 3 2.523 -1.836 -9.546 1.00 0.00 O ATOM 41 CB LEU A 3 3.068 -4.364 -8.058 1.00 0.00 C ATOM 42 CG LEU A 3 3.629 -5.293 -9.176 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.106 -5.665 -8.931 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.748 -6.555 -9.314 1.00 0.00 C ATOM 0 HA LEU A 3 4.829 -3.199 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.100 -4.913 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.018 -4.168 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 3 3.596 -4.742 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.456 -6.313 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.710 -4.758 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.197 -6.187 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.151 -7.196 -10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.741 -7.099 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.730 -6.262 -9.572 1.00 0.00 H new ATOM 56 N GLN A 4 4.777 -1.615 -9.571 1.00 0.00 N ATOM 57 CA GLN A 4 4.854 -0.787 -10.779 1.00 0.00 C ATOM 58 C GLN A 4 4.956 -1.700 -12.016 1.00 0.00 C ATOM 59 O GLN A 4 6.006 -2.302 -12.259 1.00 0.00 O ATOM 60 CB GLN A 4 6.087 0.153 -10.662 1.00 0.00 C ATOM 61 CG GLN A 4 6.306 1.123 -11.842 1.00 0.00 C ATOM 62 CD GLN A 4 7.512 2.057 -11.641 1.00 0.00 C ATOM 63 OE1 GLN A 4 7.858 2.425 -10.513 1.00 0.00 O ATOM 64 NE2 GLN A 4 8.156 2.453 -12.728 1.00 0.00 N ATOM 0 H GLN A 4 5.684 -1.782 -9.135 1.00 0.00 H new ATOM 0 HA GLN A 4 3.959 -0.174 -10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.988 0.739 -9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.980 -0.462 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.449 0.547 -12.756 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.408 1.724 -11.981 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.849 2.134 -13.647 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.959 3.077 -12.646 1.00 0.00 H new ATOM 73 N LEU A 5 3.838 -1.834 -12.754 1.00 0.00 N ATOM 74 CA LEU A 5 3.779 -2.602 -14.012 1.00 0.00 C ATOM 75 C LEU A 5 3.720 -1.618 -15.190 1.00 0.00 C ATOM 76 O LEU A 5 2.679 -1.003 -15.426 1.00 0.00 O ATOM 77 CB LEU A 5 2.514 -3.514 -14.018 1.00 0.00 C ATOM 78 CG LEU A 5 2.439 -4.607 -12.908 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.064 -5.315 -12.914 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.592 -5.626 -13.051 1.00 0.00 C ATOM 0 H LEU A 5 2.947 -1.411 -12.494 1.00 0.00 H new ATOM 0 HA LEU A 5 4.664 -3.232 -14.102 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.634 -2.877 -13.930 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.454 -4.008 -14.988 1.00 0.00 H new ATOM 0 HG LEU A 5 2.552 -4.110 -11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.041 -6.072 -12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.277 -4.583 -12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.904 -5.790 -13.882 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.514 -6.376 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.529 -6.113 -14.024 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.548 -5.109 -12.966 1.00 0.00 H new ATOM 92 N VAL A 6 4.839 -1.459 -15.914 1.00 0.00 N ATOM 93 CA VAL A 6 4.912 -0.601 -17.115 1.00 0.00 C ATOM 94 C VAL A 6 5.057 -1.510 -18.345 1.00 0.00 C ATOM 95 O VAL A 6 6.060 -2.215 -18.483 1.00 0.00 O ATOM 96 CB VAL A 6 6.102 0.430 -17.031 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.144 1.352 -18.283 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.012 1.269 -15.726 1.00 0.00 C ATOM 0 H VAL A 6 5.720 -1.920 -15.686 1.00 0.00 H new ATOM 0 HA VAL A 6 4.000 -0.009 -17.190 1.00 0.00 H new ATOM 0 HB VAL A 6 7.033 -0.137 -17.009 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.976 2.051 -18.193 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.276 0.744 -19.178 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.210 1.908 -18.357 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.843 1.974 -15.689 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.070 1.817 -15.710 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.060 0.605 -14.863 1.00 0.00 H new ATOM 108 N GLU A 7 4.038 -1.493 -19.214 1.00 0.00 N ATOM 109 CA GLU A 7 3.888 -2.463 -20.316 1.00 0.00 C ATOM 110 C GLU A 7 4.044 -1.732 -21.669 1.00 0.00 C ATOM 111 O GLU A 7 3.456 -0.661 -21.867 1.00 0.00 O ATOM 112 CB GLU A 7 2.490 -3.155 -20.173 1.00 0.00 C ATOM 113 CG GLU A 7 2.390 -4.601 -20.713 1.00 0.00 C ATOM 114 CD GLU A 7 2.551 -4.740 -22.230 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.668 -5.066 -22.704 1.00 0.00 O ATOM 116 OE2 GLU A 7 1.563 -4.492 -22.943 1.00 0.00 O ATOM 0 H GLU A 7 3.288 -0.803 -19.175 1.00 0.00 H new ATOM 0 HA GLU A 7 4.659 -3.232 -20.274 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.217 -3.163 -19.118 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.750 -2.544 -20.689 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.152 -5.208 -20.225 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.423 -5.013 -20.426 1.00 0.00 H new ATOM 123 N SER A 8 4.826 -2.327 -22.586 1.00 0.00 N ATOM 124 CA SER A 8 5.128 -1.764 -23.921 1.00 0.00 C ATOM 125 C SER A 8 5.542 -2.889 -24.885 1.00 0.00 C ATOM 126 O SER A 8 6.146 -3.882 -24.467 1.00 0.00 O ATOM 127 CB SER A 8 6.261 -0.703 -23.831 1.00 0.00 C ATOM 128 OG SER A 8 5.861 0.447 -23.091 1.00 0.00 O ATOM 0 H SER A 8 5.275 -3.228 -22.421 1.00 0.00 H new ATOM 0 HA SER A 8 4.229 -1.278 -24.299 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.138 -1.149 -23.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.556 -0.402 -24.836 1.00 0.00 H new ATOM 0 HG SER A 8 4.967 0.301 -22.717 1.00 0.00 H new ATOM 134 N GLY A 9 5.237 -2.711 -26.179 1.00 0.00 N ATOM 135 CA GLY A 9 5.601 -3.686 -27.214 1.00 0.00 C ATOM 136 C GLY A 9 4.607 -3.722 -28.367 1.00 0.00 C ATOM 137 O GLY A 9 4.852 -4.403 -29.366 1.00 0.00 O ATOM 0 H GLY A 9 4.737 -1.896 -26.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.591 -3.445 -27.601 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.666 -4.677 -26.766 1.00 0.00 H new ATOM 141 N GLY A 10 3.487 -2.982 -28.229 1.00 0.00 N ATOM 142 CA GLY A 10 2.412 -2.982 -29.226 1.00 0.00 C ATOM 143 C GLY A 10 2.723 -2.141 -30.460 1.00 0.00 C ATOM 144 O GLY A 10 3.478 -1.162 -30.382 1.00 0.00 O ATOM 0 H GLY A 10 3.309 -2.375 -27.429 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.216 -4.008 -29.536 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.499 -2.609 -28.763 1.00 0.00 H new ATOM 148 N GLY A 11 2.125 -2.538 -31.593 1.00 0.00 N ATOM 149 CA GLY A 11 2.303 -1.866 -32.878 1.00 0.00 C ATOM 150 C GLY A 11 1.416 -2.484 -33.951 1.00 0.00 C ATOM 151 O GLY A 11 0.502 -3.264 -33.633 1.00 0.00 O ATOM 0 H GLY A 11 1.500 -3.342 -31.638 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.067 -0.807 -32.773 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.347 -1.931 -33.184 1.00 0.00 H new ATOM 155 N LEU A 12 1.676 -2.127 -35.221 1.00 0.00 N ATOM 156 CA LEU A 12 0.951 -2.680 -36.384 1.00 0.00 C ATOM 157 C LEU A 12 1.710 -3.891 -36.964 1.00 0.00 C ATOM 158 O LEU A 12 2.941 -3.864 -37.107 1.00 0.00 O ATOM 159 CB LEU A 12 0.670 -1.562 -37.444 1.00 0.00 C ATOM 160 CG LEU A 12 1.883 -0.689 -37.939 1.00 0.00 C ATOM 161 CD1 LEU A 12 2.685 -1.363 -39.079 1.00 0.00 C ATOM 162 CD2 LEU A 12 1.423 0.728 -38.356 1.00 0.00 C ATOM 0 H LEU A 12 2.394 -1.447 -35.472 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.023 -3.047 -36.061 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.221 -2.035 -38.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.078 -0.888 -37.027 1.00 0.00 H new ATOM 0 HG LEU A 12 2.559 -0.598 -37.089 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.508 -0.714 -39.378 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.083 -2.316 -38.730 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.030 -1.534 -39.933 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.284 1.306 -38.693 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.698 0.651 -39.166 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.963 1.227 -37.503 1.00 0.00 H new ATOM 174 N VAL A 13 0.964 -4.968 -37.231 1.00 0.00 N ATOM 175 CA VAL A 13 1.498 -6.228 -37.773 1.00 0.00 C ATOM 176 C VAL A 13 0.393 -6.946 -38.573 1.00 0.00 C ATOM 177 O VAL A 13 -0.768 -6.889 -38.194 1.00 0.00 O ATOM 178 CB VAL A 13 2.069 -7.141 -36.616 1.00 0.00 C ATOM 179 CG1 VAL A 13 1.034 -7.305 -35.479 1.00 0.00 C ATOM 180 CG2 VAL A 13 2.566 -8.512 -37.144 1.00 0.00 C ATOM 0 H VAL A 13 -0.044 -4.992 -37.075 1.00 0.00 H new ATOM 0 HA VAL A 13 2.328 -6.011 -38.445 1.00 0.00 H new ATOM 0 HB VAL A 13 2.941 -6.635 -36.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.451 -7.937 -34.695 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.791 -6.327 -35.065 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.129 -7.767 -35.874 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.949 -9.105 -36.313 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.739 -9.042 -37.616 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.360 -8.355 -37.874 1.00 0.00 H new ATOM 190 N GLN A 14 0.781 -7.599 -39.681 1.00 0.00 N ATOM 191 CA GLN A 14 -0.149 -8.299 -40.606 1.00 0.00 C ATOM 192 C GLN A 14 -0.914 -9.467 -39.921 1.00 0.00 C ATOM 193 O GLN A 14 -0.486 -9.986 -38.877 1.00 0.00 O ATOM 194 CB GLN A 14 0.617 -8.831 -41.868 1.00 0.00 C ATOM 195 CG GLN A 14 1.658 -9.959 -41.606 1.00 0.00 C ATOM 196 CD GLN A 14 2.928 -9.538 -40.836 1.00 0.00 C ATOM 197 OE1 GLN A 14 3.392 -8.308 -41.035 1.00 0.00 O flip ATOM 198 NE2 GLN A 14 3.505 -10.326 -40.092 1.00 0.00 N flip ATOM 0 H GLN A 14 1.757 -7.661 -39.970 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.890 -7.561 -40.914 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.116 -9.199 -42.586 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.130 -7.992 -42.338 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.167 -10.758 -41.050 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.960 -10.378 -42.566 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.131 -11.265 -39.954 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.359 -10.042 -39.612 1.00 0.00 H new ATOM 207 N ALA A 15 -2.059 -9.854 -40.529 1.00 0.00 N ATOM 208 CA ALA A 15 -2.878 -11.002 -40.083 1.00 0.00 C ATOM 209 C ALA A 15 -2.098 -12.317 -40.257 1.00 0.00 C ATOM 210 O ALA A 15 -1.640 -12.638 -41.360 1.00 0.00 O ATOM 211 CB ALA A 15 -4.213 -11.042 -40.850 1.00 0.00 C ATOM 0 H ALA A 15 -2.441 -9.376 -41.345 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.103 -10.881 -39.023 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.803 -11.893 -40.509 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.766 -10.121 -40.667 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.016 -11.141 -41.918 1.00 0.00 H new ATOM 217 N GLY A 16 -1.932 -13.049 -39.146 1.00 0.00 N ATOM 218 CA GLY A 16 -1.143 -14.282 -39.112 1.00 0.00 C ATOM 219 C GLY A 16 0.304 -14.031 -38.696 1.00 0.00 C ATOM 220 O GLY A 16 1.096 -14.974 -38.578 1.00 0.00 O ATOM 0 H GLY A 16 -2.343 -12.800 -38.246 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.602 -14.986 -38.417 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.160 -14.749 -40.097 1.00 0.00 H new ATOM 224 N GLY A 17 0.631 -12.749 -38.457 1.00 0.00 N ATOM 225 CA GLY A 17 1.967 -12.328 -38.058 1.00 0.00 C ATOM 226 C GLY A 17 2.248 -12.527 -36.576 1.00 0.00 C ATOM 227 O GLY A 17 1.529 -13.264 -35.879 1.00 0.00 O ATOM 0 H GLY A 17 -0.034 -11.980 -38.538 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.703 -12.885 -38.637 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.097 -11.275 -38.306 1.00 0.00 H new ATOM 231 N SER A 18 3.298 -11.857 -36.091 1.00 0.00 N ATOM 232 CA SER A 18 3.777 -11.995 -34.714 1.00 0.00 C ATOM 233 C SER A 18 4.134 -10.621 -34.112 1.00 0.00 C ATOM 234 O SER A 18 4.594 -9.721 -34.824 1.00 0.00 O ATOM 235 CB SER A 18 4.992 -12.949 -34.690 1.00 0.00 C ATOM 236 OG SER A 18 6.004 -12.518 -35.589 1.00 0.00 O ATOM 0 H SER A 18 3.843 -11.199 -36.648 1.00 0.00 H new ATOM 0 HA SER A 18 2.982 -12.418 -34.099 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.398 -13.000 -33.680 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.672 -13.956 -34.956 1.00 0.00 H new ATOM 0 HG SER A 18 6.761 -13.139 -35.552 1.00 0.00 H new ATOM 242 N LEU A 19 3.919 -10.480 -32.793 1.00 0.00 N ATOM 243 CA LEU A 19 4.207 -9.246 -32.048 1.00 0.00 C ATOM 244 C LEU A 19 4.464 -9.589 -30.565 1.00 0.00 C ATOM 245 O LEU A 19 3.618 -10.191 -29.898 1.00 0.00 O ATOM 246 CB LEU A 19 3.037 -8.236 -32.198 1.00 0.00 C ATOM 247 CG LEU A 19 3.247 -6.831 -31.553 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.492 -6.122 -32.131 1.00 0.00 C ATOM 249 CD2 LEU A 19 1.984 -5.964 -31.718 1.00 0.00 C ATOM 0 H LEU A 19 3.538 -11.226 -32.211 1.00 0.00 H new ATOM 0 HA LEU A 19 5.102 -8.776 -32.456 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.839 -8.098 -33.261 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.143 -8.682 -31.762 1.00 0.00 H new ATOM 0 HG LEU A 19 3.424 -6.975 -30.487 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.607 -5.146 -31.659 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.378 -6.726 -31.936 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.370 -5.992 -33.206 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.150 -4.988 -31.262 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.766 -5.836 -32.778 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.141 -6.453 -31.231 1.00 0.00 H new ATOM 261 N ARG A 20 5.657 -9.222 -30.085 1.00 0.00 N ATOM 262 CA ARG A 20 6.120 -9.479 -28.709 1.00 0.00 C ATOM 263 C ARG A 20 5.871 -8.250 -27.816 1.00 0.00 C ATOM 264 O ARG A 20 6.217 -7.122 -28.184 1.00 0.00 O ATOM 265 CB ARG A 20 7.628 -9.858 -28.748 1.00 0.00 C ATOM 266 CG ARG A 20 8.391 -9.827 -27.400 1.00 0.00 C ATOM 267 CD ARG A 20 9.867 -10.251 -27.572 1.00 0.00 C ATOM 268 NE ARG A 20 10.737 -9.815 -26.461 1.00 0.00 N ATOM 269 CZ ARG A 20 11.902 -10.396 -26.136 1.00 0.00 C ATOM 270 NH1 ARG A 20 12.249 -11.567 -26.658 1.00 0.00 N ATOM 271 NH2 ARG A 20 12.702 -9.801 -25.269 1.00 0.00 N ATOM 0 H ARG A 20 6.346 -8.727 -30.651 1.00 0.00 H new ATOM 0 HA ARG A 20 5.558 -10.308 -28.279 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.715 -10.861 -29.165 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.131 -9.181 -29.439 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.347 -8.822 -26.979 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.901 -10.492 -26.689 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.918 -11.336 -27.658 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.249 -9.839 -28.506 1.00 0.00 H new ATOM 0 HE ARG A 20 10.431 -9.018 -25.903 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.627 -12.037 -27.315 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.138 -11.996 -26.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.432 -8.909 -24.854 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.590 -10.233 -25.014 1.00 0.00 H new ATOM 285 N LEU A 21 5.239 -8.487 -26.654 1.00 0.00 N ATOM 286 CA LEU A 21 5.002 -7.468 -25.613 1.00 0.00 C ATOM 287 C LEU A 21 6.014 -7.682 -24.473 1.00 0.00 C ATOM 288 O LEU A 21 6.573 -8.781 -24.335 1.00 0.00 O ATOM 289 CB LEU A 21 3.541 -7.543 -25.059 1.00 0.00 C ATOM 290 CG LEU A 21 2.364 -7.495 -26.097 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.612 -6.473 -27.218 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.055 -8.886 -26.669 1.00 0.00 C ATOM 0 H LEU A 21 4.872 -9.406 -26.406 1.00 0.00 H new ATOM 0 HA LEU A 21 5.133 -6.479 -26.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.446 -8.466 -24.487 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.405 -6.719 -24.359 1.00 0.00 H new ATOM 0 HG LEU A 21 1.483 -7.158 -25.550 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.769 -6.479 -27.909 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.720 -5.478 -26.786 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.523 -6.736 -27.755 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.235 -8.812 -27.383 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.940 -9.278 -27.171 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.771 -9.558 -25.859 1.00 0.00 H new ATOM 304 N SER A 22 6.266 -6.637 -23.673 1.00 0.00 N ATOM 305 CA SER A 22 7.232 -6.698 -22.574 1.00 0.00 C ATOM 306 C SER A 22 6.825 -5.724 -21.455 1.00 0.00 C ATOM 307 O SER A 22 6.675 -4.523 -21.692 1.00 0.00 O ATOM 308 CB SER A 22 8.653 -6.383 -23.103 1.00 0.00 C ATOM 309 OG SER A 22 9.634 -6.591 -22.102 1.00 0.00 O ATOM 0 H SER A 22 5.807 -5.731 -23.771 1.00 0.00 H new ATOM 0 HA SER A 22 7.240 -7.705 -22.156 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.870 -7.014 -23.965 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.694 -5.349 -23.446 1.00 0.00 H new ATOM 0 HG SER A 22 10.073 -7.455 -22.249 1.00 0.00 H new ATOM 315 N CYS A 23 6.671 -6.250 -20.229 1.00 0.00 N ATOM 316 CA CYS A 23 6.271 -5.466 -19.053 1.00 0.00 C ATOM 317 C CYS A 23 7.379 -5.487 -18.002 1.00 0.00 C ATOM 318 O CYS A 23 7.706 -6.548 -17.475 1.00 0.00 O ATOM 319 CB CYS A 23 4.974 -6.034 -18.439 1.00 0.00 C ATOM 320 SG CYS A 23 4.425 -5.158 -16.954 1.00 0.00 S ATOM 0 H CYS A 23 6.822 -7.238 -20.026 1.00 0.00 H new ATOM 0 HA CYS A 23 6.094 -4.439 -19.373 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.182 -5.995 -19.186 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.129 -7.085 -18.193 1.00 0.00 H new ATOM 0 HG CYS A 23 3.810 -4.065 -17.297 1.00 0.00 H new ATOM 326 N ALA A 24 7.949 -4.318 -17.692 1.00 0.00 N ATOM 327 CA ALA A 24 8.927 -4.180 -16.607 1.00 0.00 C ATOM 328 C ALA A 24 8.171 -4.005 -15.276 1.00 0.00 C ATOM 329 O ALA A 24 7.379 -3.065 -15.120 1.00 0.00 O ATOM 330 CB ALA A 24 9.875 -3.003 -16.880 1.00 0.00 C ATOM 0 H ALA A 24 7.748 -3.446 -18.182 1.00 0.00 H new ATOM 0 HA ALA A 24 9.543 -5.077 -16.546 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.593 -2.917 -16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.408 -3.174 -17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.298 -2.081 -16.954 1.00 0.00 H new ATOM 336 N ALA A 25 8.404 -4.943 -14.347 1.00 0.00 N ATOM 337 CA ALA A 25 7.746 -4.992 -13.033 1.00 0.00 C ATOM 338 C ALA A 25 8.746 -4.579 -11.947 1.00 0.00 C ATOM 339 O ALA A 25 9.918 -4.968 -12.003 1.00 0.00 O ATOM 340 CB ALA A 25 7.222 -6.412 -12.767 1.00 0.00 C ATOM 0 H ALA A 25 9.068 -5.704 -14.490 1.00 0.00 H new ATOM 0 HA ALA A 25 6.903 -4.302 -13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.735 -6.444 -11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.504 -6.686 -13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.055 -7.115 -12.780 1.00 0.00 H new ATOM 346 N SER A 26 8.279 -3.797 -10.962 1.00 0.00 N ATOM 347 CA SER A 26 9.130 -3.290 -9.871 1.00 0.00 C ATOM 348 C SER A 26 8.290 -3.012 -8.612 1.00 0.00 C ATOM 349 O SER A 26 7.061 -3.093 -8.646 1.00 0.00 O ATOM 350 CB SER A 26 9.879 -2.010 -10.333 1.00 0.00 C ATOM 351 OG SER A 26 10.889 -1.637 -9.406 1.00 0.00 O ATOM 0 H SER A 26 7.306 -3.499 -10.898 1.00 0.00 H new ATOM 0 HA SER A 26 9.868 -4.051 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.327 -2.182 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.168 -1.192 -10.447 1.00 0.00 H new ATOM 0 HG SER A 26 11.344 -0.830 -9.725 1.00 0.00 H new ATOM 357 N GLY A 27 8.971 -2.678 -7.501 1.00 0.00 N ATOM 358 CA GLY A 27 8.312 -2.395 -6.224 1.00 0.00 C ATOM 359 C GLY A 27 8.232 -3.632 -5.344 1.00 0.00 C ATOM 360 O GLY A 27 9.254 -4.064 -4.791 1.00 0.00 O ATOM 0 H GLY A 27 9.987 -2.598 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.857 -1.610 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.307 -2.015 -6.410 1.00 0.00 H new ATOM 364 N ARG A 28 7.026 -4.222 -5.215 1.00 0.00 N ATOM 365 CA ARG A 28 6.845 -5.481 -4.470 1.00 0.00 C ATOM 366 C ARG A 28 7.155 -6.679 -5.389 1.00 0.00 C ATOM 367 O ARG A 28 7.298 -6.522 -6.612 1.00 0.00 O ATOM 368 CB ARG A 28 5.418 -5.601 -3.861 1.00 0.00 C ATOM 369 CG ARG A 28 4.274 -5.730 -4.883 1.00 0.00 C ATOM 370 CD ARG A 28 2.907 -5.999 -4.224 1.00 0.00 C ATOM 371 NE ARG A 28 2.569 -4.985 -3.207 1.00 0.00 N ATOM 372 CZ ARG A 28 1.370 -4.817 -2.630 1.00 0.00 C ATOM 373 NH1 ARG A 28 0.317 -5.528 -3.001 1.00 0.00 N ATOM 374 NH2 ARG A 28 1.232 -3.903 -1.688 1.00 0.00 N ATOM 0 H ARG A 28 6.167 -3.847 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 28 7.544 -5.481 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.394 -6.469 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.231 -4.725 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.214 -4.814 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.503 -6.539 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.133 -6.014 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.917 -6.986 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 28 3.316 -4.354 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.406 -6.223 -3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.584 -5.381 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.031 -3.335 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.326 -3.764 -1.241 1.00 0.00 H new ATOM 388 N THR A 29 7.270 -7.868 -4.786 1.00 0.00 N ATOM 389 CA THR A 29 7.544 -9.108 -5.516 1.00 0.00 C ATOM 390 C THR A 29 6.303 -9.561 -6.319 1.00 0.00 C ATOM 391 O THR A 29 5.331 -10.074 -5.752 1.00 0.00 O ATOM 392 CB THR A 29 8.015 -10.232 -4.528 1.00 0.00 C ATOM 393 OG1 THR A 29 7.044 -10.410 -3.487 1.00 0.00 O ATOM 394 CG2 THR A 29 9.374 -9.901 -3.887 1.00 0.00 C ATOM 0 H THR A 29 7.176 -7.996 -3.778 1.00 0.00 H new ATOM 0 HA THR A 29 8.349 -8.918 -6.226 1.00 0.00 H new ATOM 0 HB THR A 29 8.121 -11.148 -5.109 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.146 -10.249 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.663 -10.705 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.128 -9.795 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.296 -8.968 -3.329 1.00 0.00 H new ATOM 402 N PHE A 30 6.340 -9.313 -7.645 1.00 0.00 N ATOM 403 CA PHE A 30 5.367 -9.884 -8.603 1.00 0.00 C ATOM 404 C PHE A 30 5.524 -11.424 -8.648 1.00 0.00 C ATOM 405 O PHE A 30 4.589 -12.140 -8.975 1.00 0.00 O ATOM 406 CB PHE A 30 5.566 -9.275 -10.026 1.00 0.00 C ATOM 407 CG PHE A 30 6.853 -9.714 -10.735 1.00 0.00 C ATOM 408 CD1 PHE A 30 6.820 -10.618 -11.805 1.00 0.00 C ATOM 409 CD2 PHE A 30 8.098 -9.239 -10.321 1.00 0.00 C ATOM 410 CE1 PHE A 30 7.984 -11.033 -12.424 1.00 0.00 C ATOM 411 CE2 PHE A 30 9.257 -9.653 -10.943 1.00 0.00 C ATOM 412 CZ PHE A 30 9.201 -10.547 -11.995 1.00 0.00 C ATOM 0 H PHE A 30 7.041 -8.714 -8.081 1.00 0.00 H new ATOM 0 HA PHE A 30 4.359 -9.636 -8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.713 -9.550 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.564 -8.188 -9.945 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.870 -10.997 -12.152 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.155 -8.537 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.940 -11.737 -13.242 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.212 -9.277 -10.607 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.111 -10.865 -12.482 1.00 0.00 H new ATOM 422 N SER A 31 6.740 -11.890 -8.303 1.00 0.00 N ATOM 423 CA SER A 31 7.112 -13.313 -8.243 1.00 0.00 C ATOM 424 C SER A 31 6.525 -14.030 -7.001 1.00 0.00 C ATOM 425 O SER A 31 6.777 -15.218 -6.795 1.00 0.00 O ATOM 426 CB SER A 31 8.649 -13.402 -8.254 1.00 0.00 C ATOM 427 OG SER A 31 9.205 -12.582 -7.235 1.00 0.00 O ATOM 0 H SER A 31 7.509 -11.269 -8.052 1.00 0.00 H new ATOM 0 HA SER A 31 6.691 -13.825 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.960 -14.436 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.030 -13.091 -9.227 1.00 0.00 H new ATOM 0 HG SER A 31 10.182 -12.652 -7.256 1.00 0.00 H new ATOM 433 N SER A 32 5.778 -13.290 -6.162 1.00 0.00 N ATOM 434 CA SER A 32 4.985 -13.870 -5.060 1.00 0.00 C ATOM 435 C SER A 32 3.543 -14.164 -5.537 1.00 0.00 C ATOM 436 O SER A 32 2.759 -14.789 -4.821 1.00 0.00 O ATOM 437 CB SER A 32 4.981 -12.896 -3.857 1.00 0.00 C ATOM 438 OG SER A 32 4.340 -13.449 -2.716 1.00 0.00 O ATOM 0 H SER A 32 5.706 -12.275 -6.228 1.00 0.00 H new ATOM 0 HA SER A 32 5.435 -14.812 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.008 -12.633 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.477 -11.973 -4.142 1.00 0.00 H new ATOM 0 HG SER A 32 3.669 -14.103 -3.003 1.00 0.00 H new ATOM 444 N TYR A 33 3.213 -13.713 -6.763 1.00 0.00 N ATOM 445 CA TYR A 33 1.866 -13.825 -7.357 1.00 0.00 C ATOM 446 C TYR A 33 1.955 -14.430 -8.767 1.00 0.00 C ATOM 447 O TYR A 33 2.975 -14.288 -9.444 1.00 0.00 O ATOM 448 CB TYR A 33 1.218 -12.419 -7.484 1.00 0.00 C ATOM 449 CG TYR A 33 0.899 -11.699 -6.161 1.00 0.00 C ATOM 450 CD1 TYR A 33 -0.262 -12.002 -5.442 1.00 0.00 C ATOM 451 CD2 TYR A 33 1.731 -10.691 -5.655 1.00 0.00 C ATOM 452 CE1 TYR A 33 -0.582 -11.334 -4.278 1.00 0.00 C ATOM 453 CE2 TYR A 33 1.416 -10.026 -4.483 1.00 0.00 C ATOM 454 CZ TYR A 33 0.259 -10.349 -3.800 1.00 0.00 C ATOM 455 OH TYR A 33 -0.073 -9.676 -2.640 1.00 0.00 O ATOM 0 H TYR A 33 3.885 -13.254 -7.378 1.00 0.00 H new ATOM 0 HA TYR A 33 1.265 -14.463 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.885 -11.785 -8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.293 -12.517 -8.053 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.922 -12.775 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.633 -10.429 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.487 -11.581 -3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.072 -9.257 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 33 0.621 -9.015 -2.436 1.00 0.00 H new ATOM 465 N ALA A 34 0.872 -15.078 -9.218 1.00 0.00 N ATOM 466 CA ALA A 34 0.705 -15.431 -10.634 1.00 0.00 C ATOM 467 C ALA A 34 0.067 -14.236 -11.352 1.00 0.00 C ATOM 468 O ALA A 34 -0.753 -13.518 -10.762 1.00 0.00 O ATOM 469 CB ALA A 34 -0.149 -16.694 -10.806 1.00 0.00 C ATOM 0 H ALA A 34 0.098 -15.369 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 34 1.679 -15.654 -11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.250 -16.923 -11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.332 -17.530 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.136 -16.527 -10.375 1.00 0.00 H new ATOM 475 N MET A 35 0.450 -14.013 -12.609 1.00 0.00 N ATOM 476 CA MET A 35 -0.057 -12.884 -13.410 1.00 0.00 C ATOM 477 C MET A 35 -0.760 -13.408 -14.660 1.00 0.00 C ATOM 478 O MET A 35 -0.486 -14.515 -15.107 1.00 0.00 O ATOM 479 CB MET A 35 1.084 -11.916 -13.807 1.00 0.00 C ATOM 480 CG MET A 35 2.196 -12.529 -14.670 1.00 0.00 C ATOM 481 SD MET A 35 3.141 -11.273 -15.548 1.00 0.00 S ATOM 482 CE MET A 35 1.880 -10.579 -16.625 1.00 0.00 C ATOM 0 H MET A 35 1.118 -14.604 -13.105 1.00 0.00 H new ATOM 0 HA MET A 35 -0.769 -12.329 -12.800 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.652 -11.073 -14.346 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.532 -11.516 -12.897 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.867 -13.110 -14.037 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.757 -13.220 -15.389 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.351 -9.943 -17.375 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.341 -11.386 -17.121 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.182 -9.986 -16.033 1.00 0.00 H new ATOM 492 N GLY A 36 -1.624 -12.579 -15.245 1.00 0.00 N ATOM 493 CA GLY A 36 -2.429 -12.964 -16.390 1.00 0.00 C ATOM 494 C GLY A 36 -2.687 -11.804 -17.321 1.00 0.00 C ATOM 495 O GLY A 36 -2.884 -10.675 -16.873 1.00 0.00 O ATOM 0 H GLY A 36 -1.781 -11.621 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.924 -13.761 -16.936 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.380 -13.369 -16.044 1.00 0.00 H new ATOM 499 N TRP A 37 -2.683 -12.097 -18.621 1.00 0.00 N ATOM 500 CA TRP A 37 -2.945 -11.125 -19.681 1.00 0.00 C ATOM 501 C TRP A 37 -4.420 -11.219 -20.099 1.00 0.00 C ATOM 502 O TRP A 37 -4.960 -12.316 -20.285 1.00 0.00 O ATOM 503 CB TRP A 37 -2.010 -11.386 -20.897 1.00 0.00 C ATOM 504 CG TRP A 37 -0.537 -11.187 -20.594 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.292 -12.037 -19.904 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.276 -10.064 -20.974 1.00 0.00 C ATOM 507 NE1 TRP A 37 1.560 -11.513 -19.847 1.00 0.00 N ATOM 508 CE2 TRP A 37 1.575 -10.304 -20.488 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.029 -8.880 -21.686 1.00 0.00 C ATOM 510 CZ2 TRP A 37 2.623 -9.407 -20.686 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.068 -7.992 -21.877 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.353 -8.259 -21.379 1.00 0.00 C ATOM 0 H TRP A 37 -2.494 -13.035 -18.973 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.742 -10.120 -19.312 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.164 -12.406 -21.249 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -2.296 -10.721 -21.712 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.009 -12.979 -19.470 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.363 -11.954 -19.398 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.955 -8.668 -22.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.613 -9.611 -20.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.889 -7.075 -22.419 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.144 -7.544 -21.546 1.00 0.00 H new ATOM 523 N PHE A 38 -5.066 -10.049 -20.181 1.00 0.00 N ATOM 524 CA PHE A 38 -6.450 -9.894 -20.668 1.00 0.00 C ATOM 525 C PHE A 38 -6.442 -8.874 -21.811 1.00 0.00 C ATOM 526 O PHE A 38 -5.457 -8.160 -21.986 1.00 0.00 O ATOM 527 CB PHE A 38 -7.385 -9.430 -19.516 1.00 0.00 C ATOM 528 CG PHE A 38 -7.431 -10.400 -18.338 1.00 0.00 C ATOM 529 CD1 PHE A 38 -6.617 -10.212 -17.219 1.00 0.00 C ATOM 530 CD2 PHE A 38 -8.275 -11.507 -18.360 1.00 0.00 C ATOM 531 CE1 PHE A 38 -6.646 -11.106 -16.165 1.00 0.00 C ATOM 532 CE2 PHE A 38 -8.306 -12.399 -17.306 1.00 0.00 C ATOM 533 CZ PHE A 38 -7.492 -12.198 -16.207 1.00 0.00 C ATOM 0 H PHE A 38 -4.637 -9.165 -19.907 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.830 -10.849 -21.029 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.053 -8.455 -19.160 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.394 -9.300 -19.908 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.957 -9.358 -17.177 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.915 -11.671 -19.214 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.007 -10.951 -15.308 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.966 -13.253 -17.340 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.517 -12.894 -15.382 1.00 0.00 H new ATOM 543 N ARG A 39 -7.525 -8.811 -22.599 1.00 0.00 N ATOM 544 CA ARG A 39 -7.618 -7.843 -23.718 1.00 0.00 C ATOM 545 C ARG A 39 -9.059 -7.372 -23.926 1.00 0.00 C ATOM 546 O ARG A 39 -10.008 -8.089 -23.573 1.00 0.00 O ATOM 547 CB ARG A 39 -7.063 -8.451 -25.038 1.00 0.00 C ATOM 548 CG ARG A 39 -7.904 -9.609 -25.598 1.00 0.00 C ATOM 549 CD ARG A 39 -7.355 -10.209 -26.893 1.00 0.00 C ATOM 550 NE ARG A 39 -8.183 -11.338 -27.339 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.079 -11.974 -28.505 1.00 0.00 C ATOM 552 NH1 ARG A 39 -7.065 -11.746 -29.317 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.980 -12.888 -28.814 1.00 0.00 N ATOM 0 H ARG A 39 -8.344 -9.409 -22.490 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.007 -6.981 -23.449 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.001 -7.664 -25.790 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.047 -8.805 -24.863 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.969 -10.394 -24.845 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.919 -9.254 -25.776 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.326 -9.445 -27.669 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.329 -10.544 -26.737 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.904 -11.665 -26.696 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.344 -11.073 -29.056 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.002 -12.242 -30.206 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.739 -13.096 -28.165 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.918 -13.386 -29.702 1.00 0.00 H new ATOM 567 N GLN A 40 -9.200 -6.161 -24.491 1.00 0.00 N ATOM 568 CA GLN A 40 -10.508 -5.614 -24.918 1.00 0.00 C ATOM 569 C GLN A 40 -10.300 -4.404 -25.843 1.00 0.00 C ATOM 570 O GLN A 40 -9.328 -3.673 -25.667 1.00 0.00 O ATOM 571 CB GLN A 40 -11.395 -5.256 -23.675 1.00 0.00 C ATOM 572 CG GLN A 40 -10.834 -4.183 -22.690 1.00 0.00 C ATOM 573 CD GLN A 40 -11.184 -2.720 -23.043 1.00 0.00 C ATOM 574 OE1 GLN A 40 -12.365 -2.491 -23.613 1.00 0.00 O flip ATOM 575 NE2 GLN A 40 -10.403 -1.802 -22.784 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.416 -5.532 -24.666 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.043 -6.377 -25.484 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.363 -4.910 -24.038 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.575 -6.172 -23.112 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.210 -4.399 -21.690 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.749 -4.281 -22.650 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.504 -2.005 -22.347 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.656 -0.839 -23.007 1.00 0.00 H new ATOM 584 N ALA A 41 -11.208 -4.236 -26.836 1.00 0.00 N ATOM 585 CA ALA A 41 -11.237 -3.073 -27.776 1.00 0.00 C ATOM 586 C ALA A 41 -12.264 -3.273 -28.929 1.00 0.00 C ATOM 587 O ALA A 41 -13.087 -2.376 -29.147 1.00 0.00 O ATOM 588 CB ALA A 41 -9.867 -2.707 -28.398 1.00 0.00 C ATOM 0 H ALA A 41 -11.953 -4.910 -27.014 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.540 -2.242 -27.139 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.987 -1.853 -29.065 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.164 -2.452 -27.605 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.485 -3.558 -28.963 1.00 0.00 H new ATOM 594 N PRO A 42 -12.239 -4.427 -29.715 1.00 0.00 N ATOM 595 CA PRO A 42 -13.018 -4.559 -30.977 1.00 0.00 C ATOM 596 C PRO A 42 -14.477 -5.005 -30.732 1.00 0.00 C ATOM 597 O PRO A 42 -14.983 -5.945 -31.366 1.00 0.00 O ATOM 598 CB PRO A 42 -12.187 -5.611 -31.750 1.00 0.00 C ATOM 599 CG PRO A 42 -11.704 -6.553 -30.690 1.00 0.00 C ATOM 600 CD PRO A 42 -11.484 -5.699 -29.446 1.00 0.00 C ATOM 0 HA PRO A 42 -13.142 -3.621 -31.517 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.793 -6.127 -32.495 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.355 -5.149 -32.281 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.436 -7.338 -30.501 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.780 -7.045 -30.995 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.857 -6.199 -28.552 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.424 -5.503 -29.283 1.00 0.00 H new ATOM 608 N GLY A 43 -15.156 -4.292 -29.811 1.00 0.00 N ATOM 609 CA GLY A 43 -16.517 -4.637 -29.392 1.00 0.00 C ATOM 610 C GLY A 43 -16.557 -5.760 -28.364 1.00 0.00 C ATOM 611 O GLY A 43 -17.616 -6.054 -27.800 1.00 0.00 O ATOM 0 H GLY A 43 -14.775 -3.469 -29.344 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.998 -3.752 -28.974 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.097 -4.932 -30.267 1.00 0.00 H new ATOM 615 N LYS A 44 -15.397 -6.394 -28.127 1.00 0.00 N ATOM 616 CA LYS A 44 -15.256 -7.510 -27.189 1.00 0.00 C ATOM 617 C LYS A 44 -14.800 -6.966 -25.828 1.00 0.00 C ATOM 618 O LYS A 44 -13.865 -6.152 -25.771 1.00 0.00 O ATOM 619 CB LYS A 44 -14.230 -8.542 -27.736 1.00 0.00 C ATOM 620 CG LYS A 44 -14.528 -9.046 -29.172 1.00 0.00 C ATOM 621 CD LYS A 44 -13.567 -10.181 -29.620 1.00 0.00 C ATOM 622 CE LYS A 44 -13.803 -11.504 -28.851 1.00 0.00 C ATOM 623 NZ LYS A 44 -12.689 -12.473 -29.029 1.00 0.00 N ATOM 0 H LYS A 44 -14.524 -6.140 -28.588 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.215 -8.014 -27.071 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.238 -8.091 -27.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.201 -9.399 -27.063 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.556 -9.405 -29.221 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.449 -8.212 -29.869 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.695 -10.359 -30.688 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.536 -9.858 -29.471 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.925 -11.287 -27.790 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.733 -11.958 -29.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.059 -13.358 -29.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.979 -12.071 -29.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.249 -12.669 -28.107 1.00 0.00 H new ATOM 637 N GLU A 45 -15.474 -7.410 -24.755 1.00 0.00 N ATOM 638 CA GLU A 45 -15.149 -7.021 -23.368 1.00 0.00 C ATOM 639 C GLU A 45 -13.876 -7.747 -22.878 1.00 0.00 C ATOM 640 O GLU A 45 -13.268 -8.524 -23.632 1.00 0.00 O ATOM 641 CB GLU A 45 -16.352 -7.325 -22.436 1.00 0.00 C ATOM 642 CG GLU A 45 -16.716 -8.820 -22.312 1.00 0.00 C ATOM 643 CD GLU A 45 -17.905 -9.069 -21.370 1.00 0.00 C ATOM 644 OE1 GLU A 45 -17.700 -9.106 -20.139 1.00 0.00 O ATOM 645 OE2 GLU A 45 -19.051 -9.208 -21.851 1.00 0.00 O ATOM 0 H GLU A 45 -16.264 -8.052 -24.823 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.951 -5.949 -23.343 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.130 -6.936 -21.442 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.224 -6.783 -22.803 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.953 -9.214 -23.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.849 -9.371 -21.948 1.00 0.00 H new ATOM 652 N ARG A 46 -13.470 -7.453 -21.619 1.00 0.00 N ATOM 653 CA ARG A 46 -12.292 -8.070 -20.979 1.00 0.00 C ATOM 654 C ARG A 46 -12.401 -9.608 -21.030 1.00 0.00 C ATOM 655 O ARG A 46 -13.201 -10.214 -20.303 1.00 0.00 O ATOM 656 CB ARG A 46 -12.170 -7.610 -19.501 1.00 0.00 C ATOM 657 CG ARG A 46 -10.877 -8.087 -18.787 1.00 0.00 C ATOM 658 CD ARG A 46 -10.956 -7.974 -17.252 1.00 0.00 C ATOM 659 NE ARG A 46 -11.893 -8.958 -16.673 1.00 0.00 N ATOM 660 CZ ARG A 46 -12.606 -8.800 -15.547 1.00 0.00 C ATOM 661 NH1 ARG A 46 -12.638 -7.634 -14.912 1.00 0.00 N ATOM 662 NH2 ARG A 46 -13.319 -9.815 -15.079 1.00 0.00 N ATOM 0 H ARG A 46 -13.953 -6.781 -21.022 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.403 -7.752 -21.524 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.209 -6.521 -19.467 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.034 -7.977 -18.946 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.681 -9.124 -19.059 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.033 -7.498 -19.146 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.964 -8.124 -16.826 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.272 -6.967 -16.978 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.009 -9.838 -17.175 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.115 -6.839 -15.279 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.186 -7.534 -14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.323 -10.707 -15.574 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.864 -9.704 -14.224 1.00 0.00 H new ATOM 676 N GLU A 47 -11.611 -10.214 -21.917 1.00 0.00 N ATOM 677 CA GLU A 47 -11.602 -11.662 -22.129 1.00 0.00 C ATOM 678 C GLU A 47 -10.278 -12.260 -21.647 1.00 0.00 C ATOM 679 O GLU A 47 -9.230 -11.596 -21.671 1.00 0.00 O ATOM 680 CB GLU A 47 -11.852 -11.988 -23.628 1.00 0.00 C ATOM 681 CG GLU A 47 -10.814 -11.400 -24.599 1.00 0.00 C ATOM 682 CD GLU A 47 -11.147 -11.642 -26.084 1.00 0.00 C ATOM 683 OE1 GLU A 47 -11.102 -12.810 -26.538 1.00 0.00 O ATOM 684 OE2 GLU A 47 -11.383 -10.666 -26.824 1.00 0.00 O ATOM 0 H GLU A 47 -10.954 -9.710 -22.513 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.407 -12.111 -21.547 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.871 -13.071 -23.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.839 -11.618 -23.906 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.733 -10.327 -24.424 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.838 -11.833 -24.379 1.00 0.00 H new ATOM 691 N PHE A 48 -10.357 -13.515 -21.192 1.00 0.00 N ATOM 692 CA PHE A 48 -9.204 -14.309 -20.760 1.00 0.00 C ATOM 693 C PHE A 48 -8.330 -14.649 -21.972 1.00 0.00 C ATOM 694 O PHE A 48 -8.775 -15.352 -22.886 1.00 0.00 O ATOM 695 CB PHE A 48 -9.712 -15.596 -20.051 1.00 0.00 C ATOM 696 CG PHE A 48 -8.625 -16.596 -19.645 1.00 0.00 C ATOM 697 CD1 PHE A 48 -8.373 -17.738 -20.411 1.00 0.00 C ATOM 698 CD2 PHE A 48 -7.855 -16.398 -18.504 1.00 0.00 C ATOM 699 CE1 PHE A 48 -7.395 -18.640 -20.046 1.00 0.00 C ATOM 700 CE2 PHE A 48 -6.878 -17.307 -18.143 1.00 0.00 C ATOM 701 CZ PHE A 48 -6.645 -18.424 -18.915 1.00 0.00 C ATOM 0 H PHE A 48 -11.242 -14.016 -21.113 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.596 -13.741 -20.056 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.265 -15.304 -19.158 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.417 -16.100 -20.712 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.954 -17.917 -21.304 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.022 -15.524 -17.893 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.219 -19.518 -20.650 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.294 -17.140 -17.250 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.876 -19.127 -18.632 1.00 0.00 H new ATOM 711 N VAL A 49 -7.109 -14.100 -21.997 1.00 0.00 N ATOM 712 CA VAL A 49 -6.092 -14.478 -22.985 1.00 0.00 C ATOM 713 C VAL A 49 -5.294 -15.653 -22.419 1.00 0.00 C ATOM 714 O VAL A 49 -5.405 -16.776 -22.904 1.00 0.00 O ATOM 715 CB VAL A 49 -5.134 -13.282 -23.345 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.068 -13.688 -24.391 1.00 0.00 C ATOM 717 CG2 VAL A 49 -5.949 -12.065 -23.823 1.00 0.00 C ATOM 0 H VAL A 49 -6.800 -13.386 -21.337 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.590 -14.761 -23.912 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.597 -13.004 -22.438 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.429 -12.833 -24.610 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.461 -14.502 -23.995 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.562 -14.015 -25.306 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.272 -11.247 -24.068 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.524 -12.337 -24.708 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.629 -11.749 -23.032 1.00 0.00 H new ATOM 727 N ALA A 50 -4.546 -15.391 -21.341 1.00 0.00 N ATOM 728 CA ALA A 50 -3.639 -16.376 -20.742 1.00 0.00 C ATOM 729 C ALA A 50 -3.225 -15.942 -19.332 1.00 0.00 C ATOM 730 O ALA A 50 -3.396 -14.785 -18.960 1.00 0.00 O ATOM 731 CB ALA A 50 -2.409 -16.572 -21.648 1.00 0.00 C ATOM 0 H ALA A 50 -4.553 -14.491 -20.860 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.158 -17.330 -20.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.739 -17.305 -21.198 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.731 -16.928 -22.627 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.885 -15.623 -21.761 1.00 0.00 H new ATOM 737 N VAL A 51 -2.712 -16.902 -18.551 1.00 0.00 N ATOM 738 CA VAL A 51 -2.123 -16.674 -17.207 1.00 0.00 C ATOM 739 C VAL A 51 -0.843 -17.528 -17.103 1.00 0.00 C ATOM 740 O VAL A 51 -0.707 -18.534 -17.795 1.00 0.00 O ATOM 741 CB VAL A 51 -3.154 -17.028 -16.031 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.497 -17.025 -14.619 1.00 0.00 C ATOM 743 CG2 VAL A 51 -4.367 -16.064 -16.027 1.00 0.00 C ATOM 0 H VAL A 51 -2.690 -17.882 -18.834 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.884 -15.617 -17.088 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.493 -18.042 -16.242 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.247 -17.272 -13.868 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.696 -17.764 -14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.087 -16.037 -14.411 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.044 -16.335 -15.217 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.019 -15.041 -15.883 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.893 -16.137 -16.979 1.00 0.00 H new ATOM 753 N VAL A 52 0.114 -17.091 -16.285 1.00 0.00 N ATOM 754 CA VAL A 52 1.321 -17.858 -15.947 1.00 0.00 C ATOM 755 C VAL A 52 1.507 -17.842 -14.428 1.00 0.00 C ATOM 756 O VAL A 52 1.191 -16.838 -13.777 1.00 0.00 O ATOM 757 CB VAL A 52 2.603 -17.278 -16.661 1.00 0.00 C ATOM 758 CG1 VAL A 52 2.920 -15.828 -16.210 1.00 0.00 C ATOM 759 CG2 VAL A 52 3.831 -18.203 -16.476 1.00 0.00 C ATOM 0 H VAL A 52 0.075 -16.179 -15.829 1.00 0.00 H new ATOM 0 HA VAL A 52 1.193 -18.881 -16.300 1.00 0.00 H new ATOM 0 HB VAL A 52 2.375 -17.241 -17.726 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.810 -15.472 -16.728 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.077 -15.180 -16.450 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.096 -15.812 -15.134 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.693 -17.769 -16.982 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.050 -18.309 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.616 -19.183 -16.902 1.00 0.00 H new ATOM 769 N ASN A 53 1.982 -18.965 -13.867 1.00 0.00 N ATOM 770 CA ASN A 53 2.345 -19.041 -12.442 1.00 0.00 C ATOM 771 C ASN A 53 3.653 -18.251 -12.192 1.00 0.00 C ATOM 772 O ASN A 53 4.434 -18.038 -13.128 1.00 0.00 O ATOM 773 CB ASN A 53 2.502 -20.523 -11.995 1.00 0.00 C ATOM 774 CG ASN A 53 2.585 -20.690 -10.472 1.00 0.00 C ATOM 775 OD1 ASN A 53 1.949 -19.948 -9.718 1.00 0.00 O ATOM 776 ND2 ASN A 53 3.384 -21.635 -10.005 1.00 0.00 N ATOM 0 H ASN A 53 2.124 -19.835 -14.380 1.00 0.00 H new ATOM 0 HA ASN A 53 1.546 -18.595 -11.849 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.658 -21.101 -12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.401 -20.939 -12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.486 -21.765 -8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.898 -22.234 -10.651 1.00 0.00 H new ATOM 783 N TRP A 54 3.885 -17.836 -10.932 1.00 0.00 N ATOM 784 CA TRP A 54 5.087 -17.064 -10.532 1.00 0.00 C ATOM 785 C TRP A 54 6.401 -17.816 -10.859 1.00 0.00 C ATOM 786 O TRP A 54 7.413 -17.198 -11.220 1.00 0.00 O ATOM 787 CB TRP A 54 5.012 -16.713 -9.019 1.00 0.00 C ATOM 788 CG TRP A 54 4.933 -17.902 -8.082 1.00 0.00 C ATOM 789 CD1 TRP A 54 3.803 -18.521 -7.629 1.00 0.00 C ATOM 790 CD2 TRP A 54 6.036 -18.598 -7.478 1.00 0.00 C ATOM 791 NE1 TRP A 54 4.134 -19.566 -6.810 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.497 -19.631 -6.697 1.00 0.00 C ATOM 793 CE3 TRP A 54 7.430 -18.448 -7.536 1.00 0.00 C ATOM 794 CZ2 TRP A 54 6.299 -20.514 -5.979 1.00 0.00 C ATOM 795 CZ3 TRP A 54 8.226 -19.318 -6.818 1.00 0.00 C ATOM 796 CH2 TRP A 54 7.660 -20.342 -6.050 1.00 0.00 C ATOM 0 H TRP A 54 3.247 -18.024 -10.159 1.00 0.00 H new ATOM 0 HA TRP A 54 5.099 -16.142 -11.114 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.889 -16.122 -8.756 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.140 -16.081 -8.852 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.794 -18.228 -7.881 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.472 -20.195 -6.357 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.873 -17.664 -8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.866 -21.307 -5.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.300 -19.207 -6.849 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.307 -21.011 -5.502 1.00 0.00 H new ATOM 807 N SER A 55 6.361 -19.153 -10.718 1.00 0.00 N ATOM 808 CA SER A 55 7.498 -20.037 -11.023 1.00 0.00 C ATOM 809 C SER A 55 7.642 -20.221 -12.543 1.00 0.00 C ATOM 810 O SER A 55 8.753 -20.431 -13.048 1.00 0.00 O ATOM 811 CB SER A 55 7.297 -21.407 -10.330 1.00 0.00 C ATOM 812 OG SER A 55 6.105 -22.039 -10.775 1.00 0.00 O ATOM 0 H SER A 55 5.535 -19.652 -10.388 1.00 0.00 H new ATOM 0 HA SER A 55 8.413 -19.580 -10.646 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.152 -22.051 -10.537 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.256 -21.268 -9.250 1.00 0.00 H new ATOM 0 HG SER A 55 6.004 -22.902 -10.323 1.00 0.00 H new ATOM 818 N GLY A 56 6.501 -20.145 -13.261 1.00 0.00 N ATOM 819 CA GLY A 56 6.465 -20.359 -14.714 1.00 0.00 C ATOM 820 C GLY A 56 6.383 -21.826 -15.110 1.00 0.00 C ATOM 821 O GLY A 56 6.394 -22.148 -16.301 1.00 0.00 O ATOM 0 H GLY A 56 5.591 -19.936 -12.850 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.607 -19.830 -15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.357 -19.920 -15.160 1.00 0.00 H new ATOM 825 N ARG A 57 6.283 -22.709 -14.097 1.00 0.00 N ATOM 826 CA ARG A 57 6.220 -24.175 -14.284 1.00 0.00 C ATOM 827 C ARG A 57 4.962 -24.578 -15.078 1.00 0.00 C ATOM 828 O ARG A 57 4.988 -25.527 -15.869 1.00 0.00 O ATOM 829 CB ARG A 57 6.242 -24.869 -12.897 1.00 0.00 C ATOM 830 CG ARG A 57 6.245 -26.418 -12.923 1.00 0.00 C ATOM 831 CD ARG A 57 6.251 -27.016 -11.502 1.00 0.00 C ATOM 832 NE ARG A 57 7.418 -26.566 -10.720 1.00 0.00 N ATOM 833 CZ ARG A 57 7.443 -26.345 -9.393 1.00 0.00 C ATOM 834 NH1 ARG A 57 6.358 -26.524 -8.641 1.00 0.00 N ATOM 835 NH2 ARG A 57 8.567 -25.936 -8.832 1.00 0.00 N ATOM 0 H ARG A 57 6.243 -22.424 -13.118 1.00 0.00 H new ATOM 0 HA ARG A 57 7.087 -24.497 -14.861 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.126 -24.531 -12.356 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.373 -24.535 -12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.368 -26.774 -13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.120 -26.770 -13.469 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.335 -26.730 -10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.255 -28.104 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 57 8.286 -26.408 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.486 -26.835 -9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.399 -26.351 -7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.399 -25.792 -9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.602 -25.764 -7.827 1.00 0.00 H new ATOM 849 N ARG A 58 3.866 -23.833 -14.856 1.00 0.00 N ATOM 850 CA ARG A 58 2.587 -24.030 -15.559 1.00 0.00 C ATOM 851 C ARG A 58 2.102 -22.701 -16.165 1.00 0.00 C ATOM 852 O ARG A 58 2.086 -21.665 -15.486 1.00 0.00 O ATOM 853 CB ARG A 58 1.510 -24.613 -14.599 1.00 0.00 C ATOM 854 CG ARG A 58 1.730 -26.097 -14.214 1.00 0.00 C ATOM 855 CD ARG A 58 0.618 -26.636 -13.300 1.00 0.00 C ATOM 856 NE ARG A 58 0.686 -28.099 -13.111 1.00 0.00 N ATOM 857 CZ ARG A 58 -0.109 -28.805 -12.286 1.00 0.00 C ATOM 858 NH1 ARG A 58 -0.994 -28.197 -11.494 1.00 0.00 N ATOM 859 NH2 ARG A 58 -0.010 -30.122 -12.249 1.00 0.00 N ATOM 0 H ARG A 58 3.843 -23.071 -14.178 1.00 0.00 H new ATOM 0 HA ARG A 58 2.747 -24.746 -16.365 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.490 -24.014 -13.689 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.531 -24.514 -15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.777 -26.701 -15.120 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.692 -26.201 -13.712 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.684 -26.146 -12.329 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.352 -26.374 -13.723 1.00 0.00 H new ATOM 0 HE ARG A 58 1.387 -28.612 -13.645 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.076 -27.180 -11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.588 -28.749 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.667 -30.599 -12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.610 -30.661 -11.625 1.00 0.00 H new ATOM 873 N THR A 59 1.733 -22.756 -17.450 1.00 0.00 N ATOM 874 CA THR A 59 1.108 -21.653 -18.183 1.00 0.00 C ATOM 875 C THR A 59 -0.323 -22.069 -18.588 1.00 0.00 C ATOM 876 O THR A 59 -0.530 -23.157 -19.141 1.00 0.00 O ATOM 877 CB THR A 59 1.940 -21.287 -19.468 1.00 0.00 C ATOM 878 OG1 THR A 59 2.196 -22.471 -20.245 1.00 0.00 O ATOM 879 CG2 THR A 59 3.280 -20.617 -19.128 1.00 0.00 C ATOM 0 H THR A 59 1.865 -23.590 -18.022 1.00 0.00 H new ATOM 0 HA THR A 59 1.076 -20.774 -17.540 1.00 0.00 H new ATOM 0 HB THR A 59 1.342 -20.577 -20.039 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.765 -22.387 -21.121 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.815 -20.385 -20.049 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.096 -19.697 -18.573 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.881 -21.293 -18.520 1.00 0.00 H new ATOM 887 N TYR A 60 -1.296 -21.207 -18.277 1.00 0.00 N ATOM 888 CA TYR A 60 -2.703 -21.366 -18.681 1.00 0.00 C ATOM 889 C TYR A 60 -2.934 -20.598 -19.995 1.00 0.00 C ATOM 890 O TYR A 60 -2.383 -19.509 -20.174 1.00 0.00 O ATOM 891 CB TYR A 60 -3.648 -20.807 -17.577 1.00 0.00 C ATOM 892 CG TYR A 60 -3.334 -21.297 -16.147 1.00 0.00 C ATOM 893 CD1 TYR A 60 -2.428 -20.607 -15.330 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.944 -22.437 -15.613 1.00 0.00 C ATOM 895 CE1 TYR A 60 -2.149 -21.028 -14.046 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.661 -22.861 -14.326 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.765 -22.151 -13.550 1.00 0.00 C ATOM 898 OH TYR A 60 -2.495 -22.564 -12.266 1.00 0.00 O ATOM 0 H TYR A 60 -1.129 -20.364 -17.728 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.921 -22.425 -18.823 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.597 -19.718 -17.592 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.674 -21.082 -17.823 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.937 -19.725 -15.714 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.647 -22.995 -16.214 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.450 -20.477 -13.434 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.139 -23.744 -13.930 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.012 -23.373 -12.067 1.00 0.00 H new ATOM 908 N TYR A 61 -3.732 -21.173 -20.906 1.00 0.00 N ATOM 909 CA TYR A 61 -4.083 -20.534 -22.191 1.00 0.00 C ATOM 910 C TYR A 61 -5.599 -20.584 -22.400 1.00 0.00 C ATOM 911 O TYR A 61 -6.278 -21.484 -21.885 1.00 0.00 O ATOM 912 CB TYR A 61 -3.402 -21.254 -23.387 1.00 0.00 C ATOM 913 CG TYR A 61 -1.866 -21.280 -23.356 1.00 0.00 C ATOM 914 CD1 TYR A 61 -1.111 -20.232 -23.893 1.00 0.00 C ATOM 915 CD2 TYR A 61 -1.174 -22.355 -22.788 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.271 -20.262 -23.870 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.208 -22.385 -22.765 1.00 0.00 C ATOM 918 CZ TYR A 61 0.926 -21.335 -23.301 1.00 0.00 C ATOM 919 OH TYR A 61 2.309 -21.355 -23.267 1.00 0.00 O ATOM 0 H TYR A 61 -4.154 -22.093 -20.777 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.734 -19.502 -22.150 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.765 -22.281 -23.424 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.721 -20.769 -24.310 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.616 -19.385 -24.333 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.729 -23.176 -22.360 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.837 -19.447 -24.297 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.724 -23.227 -22.329 1.00 0.00 H new ATOM 0 HH TYR A 61 2.648 -20.437 -23.219 1.00 0.00 H new ATOM 929 N ALA A 62 -6.122 -19.600 -23.143 1.00 0.00 N ATOM 930 CA ALA A 62 -7.449 -19.695 -23.767 1.00 0.00 C ATOM 931 C ALA A 62 -7.318 -20.587 -25.004 1.00 0.00 C ATOM 932 O ALA A 62 -6.284 -20.540 -25.683 1.00 0.00 O ATOM 933 CB ALA A 62 -7.980 -18.305 -24.148 1.00 0.00 C ATOM 0 H ALA A 62 -5.641 -18.720 -23.328 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.164 -20.125 -23.065 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.963 -18.405 -24.608 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.059 -17.688 -23.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.295 -17.835 -24.854 1.00 0.00 H new ATOM 939 N ASP A 63 -8.356 -21.381 -25.302 1.00 0.00 N ATOM 940 CA ASP A 63 -8.309 -22.393 -26.381 1.00 0.00 C ATOM 941 C ASP A 63 -7.976 -21.761 -27.758 1.00 0.00 C ATOM 942 O ASP A 63 -7.360 -22.414 -28.614 1.00 0.00 O ATOM 943 CB ASP A 63 -9.646 -23.167 -26.430 1.00 0.00 C ATOM 944 CG ASP A 63 -9.664 -24.321 -27.457 1.00 0.00 C ATOM 945 OD1 ASP A 63 -10.096 -24.098 -28.610 1.00 0.00 O ATOM 946 OD2 ASP A 63 -9.256 -25.454 -27.111 1.00 0.00 O ATOM 0 H ASP A 63 -9.248 -21.345 -24.809 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.503 -23.091 -26.156 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.857 -23.571 -25.440 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.450 -22.470 -26.667 1.00 0.00 H new ATOM 951 N SER A 64 -8.355 -20.480 -27.946 1.00 0.00 N ATOM 952 CA SER A 64 -8.057 -19.734 -29.180 1.00 0.00 C ATOM 953 C SER A 64 -6.552 -19.402 -29.280 1.00 0.00 C ATOM 954 O SER A 64 -5.932 -19.610 -30.330 1.00 0.00 O ATOM 955 CB SER A 64 -8.889 -18.434 -29.219 1.00 0.00 C ATOM 956 OG SER A 64 -8.698 -17.715 -30.431 1.00 0.00 O ATOM 0 H SER A 64 -8.872 -19.940 -27.252 1.00 0.00 H new ATOM 0 HA SER A 64 -8.322 -20.360 -30.032 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.945 -18.676 -29.104 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.613 -17.802 -28.375 1.00 0.00 H new ATOM 0 HG SER A 64 -9.242 -16.900 -30.417 1.00 0.00 H new ATOM 962 N VAL A 65 -5.953 -18.943 -28.165 1.00 0.00 N ATOM 963 CA VAL A 65 -4.538 -18.491 -28.144 1.00 0.00 C ATOM 964 C VAL A 65 -3.581 -19.637 -27.744 1.00 0.00 C ATOM 965 O VAL A 65 -2.364 -19.439 -27.648 1.00 0.00 O ATOM 966 CB VAL A 65 -4.345 -17.258 -27.184 1.00 0.00 C ATOM 967 CG1 VAL A 65 -5.343 -16.121 -27.520 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.431 -17.665 -25.692 1.00 0.00 C ATOM 0 H VAL A 65 -6.423 -18.873 -27.263 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.288 -18.179 -29.158 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.338 -16.876 -27.351 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.184 -15.284 -26.840 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.185 -15.789 -28.546 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.363 -16.488 -27.411 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.292 -16.784 -25.066 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.408 -18.103 -25.490 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.653 -18.395 -25.469 1.00 0.00 H new ATOM 978 N LYS A 66 -4.161 -20.829 -27.528 1.00 0.00 N ATOM 979 CA LYS A 66 -3.446 -22.029 -27.068 1.00 0.00 C ATOM 980 C LYS A 66 -2.367 -22.469 -28.072 1.00 0.00 C ATOM 981 O LYS A 66 -2.686 -22.929 -29.176 1.00 0.00 O ATOM 982 CB LYS A 66 -4.475 -23.165 -26.839 1.00 0.00 C ATOM 983 CG LYS A 66 -3.885 -24.500 -26.333 1.00 0.00 C ATOM 984 CD LYS A 66 -4.973 -25.583 -26.143 1.00 0.00 C ATOM 985 CE LYS A 66 -5.717 -25.936 -27.447 1.00 0.00 C ATOM 986 NZ LYS A 66 -6.800 -26.924 -27.211 1.00 0.00 N ATOM 0 H LYS A 66 -5.158 -20.988 -27.671 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.934 -21.797 -26.134 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.218 -22.820 -26.120 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.000 -23.351 -27.776 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.138 -24.858 -27.042 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.371 -24.333 -25.386 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.512 -26.485 -25.741 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.695 -25.237 -25.403 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.139 -25.030 -27.882 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.010 -26.338 -28.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.797 -27.631 -27.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.645 -27.398 -26.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.718 -26.436 -27.195 1.00 0.00 H new ATOM 1000 N GLY A 67 -1.095 -22.273 -27.687 1.00 0.00 N ATOM 1001 CA GLY A 67 0.062 -22.714 -28.476 1.00 0.00 C ATOM 1002 C GLY A 67 0.586 -21.653 -29.441 1.00 0.00 C ATOM 1003 O GLY A 67 1.775 -21.667 -29.784 1.00 0.00 O ATOM 0 H GLY A 67 -0.842 -21.803 -26.818 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.864 -23.004 -27.797 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.213 -23.604 -29.042 1.00 0.00 H new ATOM 1007 N ARG A 68 -0.296 -20.721 -29.879 1.00 0.00 N ATOM 1008 CA ARG A 68 0.097 -19.627 -30.794 1.00 0.00 C ATOM 1009 C ARG A 68 0.694 -18.457 -29.978 1.00 0.00 C ATOM 1010 O ARG A 68 1.599 -17.764 -30.438 1.00 0.00 O ATOM 1011 CB ARG A 68 -1.096 -19.171 -31.698 1.00 0.00 C ATOM 1012 CG ARG A 68 -2.141 -18.249 -31.032 1.00 0.00 C ATOM 1013 CD ARG A 68 -3.256 -17.778 -31.996 1.00 0.00 C ATOM 1014 NE ARG A 68 -3.896 -16.517 -31.554 1.00 0.00 N ATOM 1015 CZ ARG A 68 -5.215 -16.295 -31.440 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -6.097 -17.254 -31.674 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -5.644 -15.098 -31.087 1.00 0.00 N ATOM 0 H ARG A 68 -1.281 -20.707 -29.613 1.00 0.00 H new ATOM 0 HA ARG A 68 0.865 -19.996 -31.474 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.689 -18.656 -32.568 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.608 -20.061 -32.065 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.596 -18.776 -30.193 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.634 -17.376 -30.622 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.835 -17.638 -32.992 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.014 -18.557 -32.077 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.275 -15.744 -31.313 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.779 -18.184 -31.947 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.095 -17.063 -31.581 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.975 -14.350 -30.903 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.645 -14.921 -30.998 1.00 0.00 H new ATOM 1031 N PHE A 69 0.178 -18.248 -28.749 1.00 0.00 N ATOM 1032 CA PHE A 69 0.761 -17.299 -27.777 1.00 0.00 C ATOM 1033 C PHE A 69 1.654 -18.073 -26.799 1.00 0.00 C ATOM 1034 O PHE A 69 1.509 -19.294 -26.640 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.349 -16.523 -27.003 1.00 0.00 C ATOM 1036 CG PHE A 69 -1.123 -15.453 -27.791 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.852 -14.479 -27.107 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -1.147 -15.416 -29.184 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -2.571 -13.516 -27.789 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -1.864 -14.448 -29.861 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.578 -13.501 -29.163 1.00 0.00 C ATOM 0 H PHE A 69 -0.652 -18.730 -28.403 1.00 0.00 H new ATOM 0 HA PHE A 69 1.355 -16.562 -28.317 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.067 -17.248 -26.620 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.111 -16.043 -26.139 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.854 -14.478 -26.027 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.596 -16.157 -29.744 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.130 -12.772 -27.240 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.864 -14.435 -30.941 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.142 -12.748 -29.694 1.00 0.00 H new ATOM 1051 N THR A 70 2.579 -17.352 -26.157 1.00 0.00 N ATOM 1052 CA THR A 70 3.494 -17.896 -25.144 1.00 0.00 C ATOM 1053 C THR A 70 3.750 -16.822 -24.080 1.00 0.00 C ATOM 1054 O THR A 70 4.053 -15.673 -24.427 1.00 0.00 O ATOM 1055 CB THR A 70 4.853 -18.344 -25.795 1.00 0.00 C ATOM 1056 OG1 THR A 70 4.606 -19.325 -26.819 1.00 0.00 O ATOM 1057 CG2 THR A 70 5.846 -18.927 -24.767 1.00 0.00 C ATOM 0 H THR A 70 2.717 -16.356 -26.329 1.00 0.00 H new ATOM 0 HA THR A 70 3.037 -18.774 -24.686 1.00 0.00 H new ATOM 0 HB THR A 70 5.307 -17.449 -26.221 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.456 -19.599 -27.222 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.766 -19.219 -25.274 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.072 -18.174 -24.012 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.403 -19.800 -24.288 1.00 0.00 H new ATOM 1065 N ILE A 71 3.611 -17.191 -22.788 1.00 0.00 N ATOM 1066 CA ILE A 71 3.889 -16.274 -21.672 1.00 0.00 C ATOM 1067 C ILE A 71 5.253 -16.648 -21.088 1.00 0.00 C ATOM 1068 O ILE A 71 5.487 -17.808 -20.736 1.00 0.00 O ATOM 1069 CB ILE A 71 2.817 -16.284 -20.495 1.00 0.00 C ATOM 1070 CG1 ILE A 71 1.347 -16.497 -21.000 1.00 0.00 C ATOM 1071 CG2 ILE A 71 2.924 -14.959 -19.685 1.00 0.00 C ATOM 1072 CD1 ILE A 71 0.967 -17.945 -21.271 1.00 0.00 C ATOM 0 H ILE A 71 3.307 -18.120 -22.497 1.00 0.00 H new ATOM 0 HA ILE A 71 3.856 -15.268 -22.089 1.00 0.00 H new ATOM 0 HB ILE A 71 3.047 -17.137 -19.856 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.661 -16.089 -20.258 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.206 -15.922 -21.915 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.190 -14.965 -18.879 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.925 -14.870 -19.264 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.731 -14.113 -20.345 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.066 -17.992 -21.615 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.624 -18.356 -22.037 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.070 -18.526 -20.355 1.00 0.00 H new ATOM 1084 N SER A 72 6.136 -15.657 -20.995 1.00 0.00 N ATOM 1085 CA SER A 72 7.468 -15.796 -20.404 1.00 0.00 C ATOM 1086 C SER A 72 7.615 -14.767 -19.281 1.00 0.00 C ATOM 1087 O SER A 72 6.926 -13.748 -19.278 1.00 0.00 O ATOM 1088 CB SER A 72 8.545 -15.577 -21.490 1.00 0.00 C ATOM 1089 OG SER A 72 8.345 -16.457 -22.582 1.00 0.00 O ATOM 0 H SER A 72 5.943 -14.715 -21.335 1.00 0.00 H new ATOM 0 HA SER A 72 7.597 -16.797 -19.993 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.512 -14.545 -21.838 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.535 -15.738 -21.064 1.00 0.00 H new ATOM 0 HG SER A 72 9.162 -16.500 -23.121 1.00 0.00 H new ATOM 1095 N ARG A 73 8.478 -15.062 -18.310 1.00 0.00 N ATOM 1096 CA ARG A 73 8.862 -14.106 -17.264 1.00 0.00 C ATOM 1097 C ARG A 73 10.358 -14.271 -16.995 1.00 0.00 C ATOM 1098 O ARG A 73 10.895 -15.384 -17.064 1.00 0.00 O ATOM 1099 CB ARG A 73 8.029 -14.273 -15.948 1.00 0.00 C ATOM 1100 CG ARG A 73 8.235 -15.606 -15.159 1.00 0.00 C ATOM 1101 CD ARG A 73 7.126 -16.659 -15.367 1.00 0.00 C ATOM 1102 NE ARG A 73 6.954 -17.074 -16.779 1.00 0.00 N ATOM 1103 CZ ARG A 73 7.536 -18.146 -17.362 1.00 0.00 C ATOM 1104 NH1 ARG A 73 8.525 -18.805 -16.764 1.00 0.00 N ATOM 1105 NH2 ARG A 73 7.145 -18.531 -18.568 1.00 0.00 N ATOM 0 H ARG A 73 8.933 -15.971 -18.223 1.00 0.00 H new ATOM 0 HA ARG A 73 8.646 -13.098 -17.618 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.269 -13.443 -15.284 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.972 -14.185 -16.199 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.190 -16.042 -15.453 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.303 -15.376 -14.096 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.355 -17.538 -14.765 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.182 -16.257 -14.998 1.00 0.00 H new ATOM 0 HE ARG A 73 6.344 -16.501 -17.362 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.858 -18.504 -15.848 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.950 -19.611 -17.221 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.408 -18.019 -19.053 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.581 -19.339 -19.012 1.00 0.00 H new ATOM 1119 N ASP A 74 11.022 -13.155 -16.719 1.00 0.00 N ATOM 1120 CA ASP A 74 12.452 -13.114 -16.423 1.00 0.00 C ATOM 1121 C ASP A 74 12.596 -12.490 -15.036 1.00 0.00 C ATOM 1122 O ASP A 74 12.549 -11.270 -14.897 1.00 0.00 O ATOM 1123 CB ASP A 74 13.205 -12.285 -17.505 1.00 0.00 C ATOM 1124 CG ASP A 74 14.734 -12.465 -17.460 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.379 -12.012 -16.489 1.00 0.00 O ATOM 1126 OD2 ASP A 74 15.304 -13.049 -18.407 1.00 0.00 O ATOM 0 H ASP A 74 10.577 -12.238 -16.694 1.00 0.00 H new ATOM 0 HA ASP A 74 12.890 -14.112 -16.434 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.842 -12.574 -18.491 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.967 -11.229 -17.374 1.00 0.00 H new ATOM 1131 N ASN A 75 12.722 -13.346 -14.018 1.00 0.00 N ATOM 1132 CA ASN A 75 12.718 -12.933 -12.600 1.00 0.00 C ATOM 1133 C ASN A 75 13.976 -12.112 -12.249 1.00 0.00 C ATOM 1134 O ASN A 75 13.945 -11.285 -11.327 1.00 0.00 O ATOM 1135 CB ASN A 75 12.597 -14.182 -11.677 1.00 0.00 C ATOM 1136 CG ASN A 75 11.313 -15.008 -11.901 1.00 0.00 C ATOM 1137 OD1 ASN A 75 10.780 -15.076 -13.010 1.00 0.00 O ATOM 1138 ND2 ASN A 75 10.814 -15.649 -10.849 1.00 0.00 N ATOM 0 H ASN A 75 12.831 -14.352 -14.149 1.00 0.00 H new ATOM 0 HA ASN A 75 11.852 -12.291 -12.436 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.462 -14.825 -11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.630 -13.857 -10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.971 -16.214 -10.949 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.275 -15.576 -9.942 1.00 0.00 H new ATOM 1145 N ALA A 76 15.065 -12.330 -13.014 1.00 0.00 N ATOM 1146 CA ALA A 76 16.354 -11.639 -12.813 1.00 0.00 C ATOM 1147 C ALA A 76 16.244 -10.140 -13.165 1.00 0.00 C ATOM 1148 O ALA A 76 16.592 -9.269 -12.357 1.00 0.00 O ATOM 1149 CB ALA A 76 17.452 -12.322 -13.649 1.00 0.00 C ATOM 0 H ALA A 76 15.075 -12.992 -13.790 1.00 0.00 H new ATOM 0 HA ALA A 76 16.623 -11.708 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.400 -11.806 -13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.551 -13.363 -13.340 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.184 -12.281 -14.705 1.00 0.00 H new ATOM 1155 N LYS A 77 15.740 -9.862 -14.379 1.00 0.00 N ATOM 1156 CA LYS A 77 15.516 -8.485 -14.872 1.00 0.00 C ATOM 1157 C LYS A 77 14.134 -7.958 -14.448 1.00 0.00 C ATOM 1158 O LYS A 77 13.807 -6.794 -14.715 1.00 0.00 O ATOM 1159 CB LYS A 77 15.652 -8.440 -16.416 1.00 0.00 C ATOM 1160 CG LYS A 77 17.036 -8.882 -16.948 1.00 0.00 C ATOM 1161 CD LYS A 77 17.157 -8.783 -18.488 1.00 0.00 C ATOM 1162 CE LYS A 77 16.115 -9.638 -19.226 1.00 0.00 C ATOM 1163 NZ LYS A 77 16.323 -9.643 -20.692 1.00 0.00 N ATOM 0 H LYS A 77 15.475 -10.583 -15.050 1.00 0.00 H new ATOM 0 HA LYS A 77 16.275 -7.841 -14.427 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.886 -9.080 -16.855 1.00 0.00 H new ATOM 0 HB3 LYS A 77 15.453 -7.424 -16.757 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.809 -8.265 -16.489 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.225 -9.911 -16.640 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.045 -7.742 -18.790 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.156 -9.097 -18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.158 -10.661 -18.852 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.117 -9.260 -19.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.407 -9.540 -21.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.944 -8.852 -20.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.765 -10.540 -20.977 1.00 0.00 H new ATOM 1177 N ASN A 78 13.334 -8.842 -13.803 1.00 0.00 N ATOM 1178 CA ASN A 78 11.982 -8.536 -13.285 1.00 0.00 C ATOM 1179 C ASN A 78 11.023 -8.110 -14.416 1.00 0.00 C ATOM 1180 O ASN A 78 10.082 -7.350 -14.198 1.00 0.00 O ATOM 1181 CB ASN A 78 12.052 -7.475 -12.149 1.00 0.00 C ATOM 1182 CG ASN A 78 12.875 -7.957 -10.952 1.00 0.00 C ATOM 1183 OD1 ASN A 78 12.345 -8.560 -10.017 1.00 0.00 O ATOM 1184 ND2 ASN A 78 14.177 -7.709 -10.978 1.00 0.00 N ATOM 0 H ASN A 78 13.618 -9.806 -13.626 1.00 0.00 H new ATOM 0 HA ASN A 78 11.572 -9.450 -12.855 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.488 -6.556 -12.540 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.042 -7.233 -11.818 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.771 -8.020 -10.209 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.585 -7.207 -11.767 1.00 0.00 H new ATOM 1191 N THR A 79 11.255 -8.658 -15.621 1.00 0.00 N ATOM 1192 CA THR A 79 10.518 -8.279 -16.836 1.00 0.00 C ATOM 1193 C THR A 79 9.781 -9.494 -17.431 1.00 0.00 C ATOM 1194 O THR A 79 10.367 -10.555 -17.620 1.00 0.00 O ATOM 1195 CB THR A 79 11.493 -7.677 -17.900 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.269 -6.622 -17.302 1.00 0.00 O ATOM 1197 CG2 THR A 79 10.745 -7.119 -19.126 1.00 0.00 C ATOM 0 H THR A 79 11.961 -9.378 -15.779 1.00 0.00 H new ATOM 0 HA THR A 79 9.781 -7.525 -16.562 1.00 0.00 H new ATOM 0 HB THR A 79 12.141 -8.484 -18.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.790 -6.983 -16.555 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.464 -6.712 -19.837 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.178 -7.919 -19.602 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.063 -6.330 -18.808 1.00 0.00 H new ATOM 1205 N VAL A 80 8.502 -9.293 -17.750 1.00 0.00 N ATOM 1206 CA VAL A 80 7.619 -10.295 -18.362 1.00 0.00 C ATOM 1207 C VAL A 80 7.597 -10.082 -19.888 1.00 0.00 C ATOM 1208 O VAL A 80 7.822 -8.967 -20.363 1.00 0.00 O ATOM 1209 CB VAL A 80 6.168 -10.156 -17.761 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.192 -11.219 -18.332 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.215 -10.205 -16.209 1.00 0.00 C ATOM 0 H VAL A 80 8.034 -8.402 -17.586 1.00 0.00 H new ATOM 0 HA VAL A 80 7.987 -11.299 -18.149 1.00 0.00 H new ATOM 0 HB VAL A 80 5.779 -9.184 -18.063 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.206 -11.083 -17.888 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.122 -11.105 -19.414 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.562 -12.217 -18.095 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.205 -10.108 -15.811 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.642 -11.155 -15.888 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.832 -9.387 -15.838 1.00 0.00 H new ATOM 1221 N TYR A 81 7.376 -11.167 -20.646 1.00 0.00 N ATOM 1222 CA TYR A 81 7.310 -11.141 -22.118 1.00 0.00 C ATOM 1223 C TYR A 81 6.067 -11.924 -22.580 1.00 0.00 C ATOM 1224 O TYR A 81 5.672 -12.896 -21.928 1.00 0.00 O ATOM 1225 CB TYR A 81 8.598 -11.763 -22.723 1.00 0.00 C ATOM 1226 CG TYR A 81 9.902 -11.106 -22.239 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.676 -11.685 -21.222 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.348 -9.899 -22.781 1.00 0.00 C ATOM 1229 CE1 TYR A 81 11.833 -11.076 -20.768 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.508 -9.295 -22.332 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.245 -9.883 -21.327 1.00 0.00 C ATOM 1232 OH TYR A 81 13.395 -9.267 -20.878 1.00 0.00 O ATOM 0 H TYR A 81 7.236 -12.097 -20.252 1.00 0.00 H new ATOM 0 HA TYR A 81 7.235 -10.109 -22.462 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.626 -12.824 -22.477 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.548 -11.689 -23.809 1.00 0.00 H new ATOM 0 HD1 TYR A 81 10.363 -12.622 -20.786 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.776 -9.428 -23.566 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.412 -11.533 -19.979 1.00 0.00 H new ATOM 0 HE2 TYR A 81 11.836 -8.363 -22.769 1.00 0.00 H new ATOM 0 HH TYR A 81 13.539 -8.438 -21.380 1.00 0.00 H new ATOM 1242 N LEU A 82 5.440 -11.486 -23.683 1.00 0.00 N ATOM 1243 CA LEU A 82 4.265 -12.166 -24.266 1.00 0.00 C ATOM 1244 C LEU A 82 4.458 -12.266 -25.790 1.00 0.00 C ATOM 1245 O LEU A 82 4.295 -11.280 -26.505 1.00 0.00 O ATOM 1246 CB LEU A 82 2.954 -11.399 -23.878 1.00 0.00 C ATOM 1247 CG LEU A 82 1.599 -12.195 -23.903 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.145 -12.579 -25.319 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.671 -13.434 -23.000 1.00 0.00 C ATOM 0 H LEU A 82 5.729 -10.654 -24.197 1.00 0.00 H new ATOM 0 HA LEU A 82 4.169 -13.176 -23.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.087 -10.997 -22.873 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.854 -10.547 -24.551 1.00 0.00 H new ATOM 0 HG LEU A 82 0.842 -11.515 -23.511 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.204 -13.126 -25.264 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.006 -11.676 -25.914 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.903 -13.208 -25.786 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.720 -13.966 -23.036 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.468 -14.091 -23.347 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.876 -13.126 -21.975 1.00 0.00 H new ATOM 1261 N GLN A 83 4.826 -13.460 -26.274 1.00 0.00 N ATOM 1262 CA GLN A 83 5.045 -13.713 -27.708 1.00 0.00 C ATOM 1263 C GLN A 83 3.715 -14.101 -28.368 1.00 0.00 C ATOM 1264 O GLN A 83 3.235 -15.225 -28.195 1.00 0.00 O ATOM 1265 CB GLN A 83 6.103 -14.838 -27.938 1.00 0.00 C ATOM 1266 CG GLN A 83 7.543 -14.510 -27.496 1.00 0.00 C ATOM 1267 CD GLN A 83 7.722 -14.354 -25.988 1.00 0.00 C ATOM 1268 OE1 GLN A 83 7.647 -13.249 -25.453 1.00 0.00 O ATOM 1269 NE2 GLN A 83 7.898 -15.470 -25.292 1.00 0.00 N ATOM 0 H GLN A 83 4.981 -14.278 -25.685 1.00 0.00 H new ATOM 0 HA GLN A 83 5.430 -12.799 -28.160 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.775 -15.732 -27.407 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.117 -15.085 -29.000 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.207 -15.300 -27.848 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.858 -13.588 -27.984 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.955 -16.368 -25.773 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.976 -15.430 -24.276 1.00 0.00 H new ATOM 1278 N MET A 84 3.107 -13.153 -29.090 1.00 0.00 N ATOM 1279 CA MET A 84 1.885 -13.405 -29.862 1.00 0.00 C ATOM 1280 C MET A 84 2.255 -13.861 -31.276 1.00 0.00 C ATOM 1281 O MET A 84 2.933 -13.135 -31.983 1.00 0.00 O ATOM 1282 CB MET A 84 1.012 -12.131 -29.951 1.00 0.00 C ATOM 1283 CG MET A 84 0.555 -11.545 -28.614 1.00 0.00 C ATOM 1284 SD MET A 84 -0.683 -10.236 -28.794 1.00 0.00 S ATOM 1285 CE MET A 84 0.153 -9.053 -29.853 1.00 0.00 C ATOM 0 H MET A 84 3.446 -12.193 -29.156 1.00 0.00 H new ATOM 0 HA MET A 84 1.316 -14.183 -29.354 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.572 -11.366 -30.490 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.129 -12.359 -30.548 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.143 -12.343 -27.997 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.421 -11.147 -28.084 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.277 -8.063 -29.703 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.214 -9.029 -29.605 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.031 -9.348 -30.895 1.00 0.00 H new ATOM 1295 N ASN A 85 1.862 -15.084 -31.661 1.00 0.00 N ATOM 1296 CA ASN A 85 2.007 -15.584 -33.053 1.00 0.00 C ATOM 1297 C ASN A 85 0.614 -15.900 -33.615 1.00 0.00 C ATOM 1298 O ASN A 85 -0.326 -16.122 -32.841 1.00 0.00 O ATOM 1299 CB ASN A 85 2.901 -16.864 -33.132 1.00 0.00 C ATOM 1300 CG ASN A 85 4.386 -16.661 -32.789 1.00 0.00 C ATOM 1301 OD1 ASN A 85 4.686 -15.910 -31.740 1.00 0.00 O flip ATOM 1302 ND2 ASN A 85 5.263 -17.245 -33.428 1.00 0.00 N flip ATOM 0 H ASN A 85 1.435 -15.759 -31.026 1.00 0.00 H new ATOM 0 HA ASN A 85 2.496 -14.807 -33.640 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.490 -17.614 -32.456 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.832 -17.271 -34.141 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.011 -17.819 -34.233 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.241 -17.155 -33.152 1.00 0.00 H new ATOM 1309 N SER A 86 0.496 -15.892 -34.966 1.00 0.00 N ATOM 1310 CA SER A 86 -0.729 -16.292 -35.694 1.00 0.00 C ATOM 1311 C SER A 86 -1.931 -15.408 -35.277 1.00 0.00 C ATOM 1312 O SER A 86 -3.028 -15.897 -34.963 1.00 0.00 O ATOM 1313 CB SER A 86 -1.011 -17.808 -35.488 1.00 0.00 C ATOM 1314 OG SER A 86 0.110 -18.598 -35.872 1.00 0.00 O ATOM 0 H SER A 86 1.256 -15.605 -35.583 1.00 0.00 H new ATOM 0 HA SER A 86 -0.574 -16.132 -36.761 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.251 -17.997 -34.442 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.883 -18.101 -36.073 1.00 0.00 H new ATOM 0 HG SER A 86 -0.094 -19.546 -35.731 1.00 0.00 H new ATOM 1320 N LEU A 87 -1.673 -14.092 -35.277 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.627 -13.060 -34.844 1.00 0.00 C ATOM 1322 C LEU A 87 -3.873 -13.013 -35.746 1.00 0.00 C ATOM 1323 O LEU A 87 -3.772 -12.743 -36.948 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.911 -11.685 -34.834 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.854 -11.490 -33.703 1.00 0.00 C ATOM 1326 CD1 LEU A 87 0.001 -10.237 -33.934 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.543 -11.431 -32.328 1.00 0.00 C ATOM 0 H LEU A 87 -0.779 -13.708 -35.584 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.973 -13.308 -33.840 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.419 -11.543 -35.796 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.664 -10.903 -34.743 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.185 -12.350 -33.724 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.725 -10.136 -33.125 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.528 -10.326 -34.884 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.642 -9.357 -33.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.792 -11.295 -31.550 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.243 -10.595 -32.307 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.083 -12.361 -32.152 1.00 0.00 H new ATOM 1339 N LYS A 88 -5.044 -13.290 -35.151 1.00 0.00 N ATOM 1340 CA LYS A 88 -6.340 -13.214 -35.848 1.00 0.00 C ATOM 1341 C LYS A 88 -6.766 -11.733 -35.977 1.00 0.00 C ATOM 1342 O LYS A 88 -6.332 -10.929 -35.169 1.00 0.00 O ATOM 1343 CB LYS A 88 -7.411 -14.012 -35.064 1.00 0.00 C ATOM 1344 CG LYS A 88 -7.063 -15.494 -34.816 1.00 0.00 C ATOM 1345 CD LYS A 88 -8.210 -16.257 -34.114 1.00 0.00 C ATOM 1346 CE LYS A 88 -9.485 -16.344 -34.976 1.00 0.00 C ATOM 1347 NZ LYS A 88 -10.630 -16.943 -34.239 1.00 0.00 N ATOM 0 H LYS A 88 -5.120 -13.573 -34.174 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.243 -13.648 -36.843 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.574 -13.526 -34.102 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.353 -13.961 -35.610 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.838 -15.976 -35.767 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.162 -15.556 -34.206 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.873 -17.264 -33.869 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.447 -15.762 -33.172 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.759 -15.345 -35.317 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.278 -16.939 -35.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.352 -17.260 -34.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.297 -17.756 -33.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.042 -16.232 -33.601 1.00 0.00 H new ATOM 1361 N PRO A 89 -7.617 -11.349 -36.992 1.00 0.00 N ATOM 1362 CA PRO A 89 -8.144 -9.953 -37.139 1.00 0.00 C ATOM 1363 C PRO A 89 -8.806 -9.376 -35.853 1.00 0.00 C ATOM 1364 O PRO A 89 -8.842 -8.153 -35.657 1.00 0.00 O ATOM 1365 CB PRO A 89 -9.178 -10.094 -38.287 1.00 0.00 C ATOM 1366 CG PRO A 89 -8.663 -11.238 -39.104 1.00 0.00 C ATOM 1367 CD PRO A 89 -8.091 -12.220 -38.104 1.00 0.00 C ATOM 0 HA PRO A 89 -7.340 -9.245 -37.339 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.177 -10.298 -37.901 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.245 -9.180 -38.878 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.462 -11.694 -39.690 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.901 -10.906 -39.809 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.844 -12.931 -37.764 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.275 -12.801 -38.534 1.00 0.00 H new ATOM 1375 N GLU A 90 -9.307 -10.274 -34.984 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.970 -9.908 -33.704 1.00 0.00 C ATOM 1377 C GLU A 90 -8.966 -9.446 -32.617 1.00 0.00 C ATOM 1378 O GLU A 90 -9.357 -8.799 -31.639 1.00 0.00 O ATOM 1379 CB GLU A 90 -10.777 -11.118 -33.172 1.00 0.00 C ATOM 1380 CG GLU A 90 -9.924 -12.377 -32.896 1.00 0.00 C ATOM 1381 CD GLU A 90 -10.677 -13.489 -32.157 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -10.770 -13.421 -30.917 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -11.182 -14.430 -32.805 1.00 0.00 O ATOM 0 H GLU A 90 -9.266 -11.280 -35.145 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.630 -9.067 -33.916 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.283 -10.827 -32.251 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.552 -11.370 -33.896 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.556 -12.769 -33.844 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.051 -12.091 -32.309 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.678 -9.793 -32.801 1.00 0.00 N ATOM 1391 CA ASP A 91 -6.609 -9.553 -31.802 1.00 0.00 C ATOM 1392 C ASP A 91 -6.259 -8.056 -31.638 1.00 0.00 C ATOM 1393 O ASP A 91 -5.491 -7.709 -30.734 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.332 -10.376 -32.161 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.485 -11.912 -32.023 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -4.483 -12.600 -31.745 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -6.604 -12.443 -32.161 1.00 0.00 O ATOM 0 H ASP A 91 -7.344 -10.250 -33.649 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.999 -9.889 -30.841 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.045 -10.145 -33.187 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.514 -10.048 -31.520 1.00 0.00 H new ATOM 1402 N THR A 92 -6.811 -7.179 -32.511 1.00 0.00 N ATOM 1403 CA THR A 92 -6.683 -5.719 -32.359 1.00 0.00 C ATOM 1404 C THR A 92 -7.372 -5.282 -31.042 1.00 0.00 C ATOM 1405 O THR A 92 -8.599 -5.126 -30.992 1.00 0.00 O ATOM 1406 CB THR A 92 -7.300 -4.961 -33.589 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.635 -5.372 -34.792 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.190 -3.430 -33.466 1.00 0.00 C ATOM 0 H THR A 92 -7.350 -7.464 -33.329 1.00 0.00 H new ATOM 0 HA THR A 92 -5.625 -5.460 -32.318 1.00 0.00 H new ATOM 0 HB THR A 92 -8.359 -5.218 -33.617 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.050 -4.931 -35.562 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.633 -2.962 -34.345 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.719 -3.098 -32.572 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.140 -3.145 -33.393 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.556 -5.098 -29.987 1.00 0.00 N ATOM 1417 CA ALA A 93 -7.044 -4.873 -28.616 1.00 0.00 C ATOM 1418 C ALA A 93 -5.909 -4.435 -27.693 1.00 0.00 C ATOM 1419 O ALA A 93 -4.733 -4.657 -28.000 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.723 -6.144 -28.059 1.00 0.00 C ATOM 0 H ALA A 93 -5.539 -5.101 -30.063 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.782 -4.072 -28.655 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.075 -5.954 -27.045 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.568 -6.412 -28.693 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.005 -6.964 -28.046 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.267 -3.803 -26.558 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.293 -3.475 -25.509 1.00 0.00 C ATOM 1428 C VAL A 94 -5.085 -4.701 -24.601 1.00 0.00 C ATOM 1429 O VAL A 94 -6.029 -5.165 -23.946 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.676 -2.179 -24.676 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -7.080 -2.268 -24.030 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.589 -1.858 -23.616 1.00 0.00 C ATOM 0 H VAL A 94 -7.222 -3.512 -26.348 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.351 -3.226 -25.999 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.719 -1.354 -25.388 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.284 -1.353 -23.474 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.832 -2.394 -24.809 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.115 -3.120 -23.351 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.876 -0.966 -23.059 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.491 -2.699 -22.929 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.635 -1.684 -24.114 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.860 -5.262 -24.651 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.434 -6.381 -23.796 1.00 0.00 C ATOM 1444 C TYR A 95 -2.852 -5.826 -22.490 1.00 0.00 C ATOM 1445 O TYR A 95 -1.799 -5.193 -22.499 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.373 -7.261 -24.521 1.00 0.00 C ATOM 1447 CG TYR A 95 -2.941 -8.150 -25.637 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.363 -7.609 -26.852 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.051 -9.534 -25.468 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.869 -8.416 -27.853 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.553 -10.336 -26.469 1.00 0.00 C ATOM 1452 CZ TYR A 95 -3.960 -9.775 -27.658 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.471 -10.579 -28.653 1.00 0.00 O ATOM 0 H TYR A 95 -3.134 -4.946 -25.293 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.299 -7.007 -23.577 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.608 -6.611 -24.945 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.880 -7.895 -23.784 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.293 -6.543 -27.012 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.737 -9.982 -24.537 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.193 -7.981 -28.787 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.627 -11.403 -26.321 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.065 -11.469 -28.595 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.555 -6.081 -21.380 1.00 0.00 N ATOM 1464 CA ASN A 96 -3.191 -5.606 -20.039 1.00 0.00 C ATOM 1465 C ASN A 96 -2.584 -6.744 -19.218 1.00 0.00 C ATOM 1466 O ASN A 96 -3.165 -7.833 -19.128 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.445 -5.062 -19.323 1.00 0.00 C ATOM 1468 CG ASN A 96 -5.018 -3.808 -19.979 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -5.830 -3.881 -20.904 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -4.619 -2.642 -19.489 1.00 0.00 N ATOM 0 H ASN A 96 -4.411 -6.635 -21.389 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.453 -4.810 -20.137 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -5.211 -5.837 -19.307 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.195 -4.839 -18.286 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.985 -1.773 -19.878 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.946 -2.614 -18.723 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.418 -6.473 -18.624 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.735 -7.390 -17.712 1.00 0.00 C ATOM 1479 C CYS A 97 -1.256 -7.173 -16.273 1.00 0.00 C ATOM 1480 O CYS A 97 -0.873 -6.211 -15.608 1.00 0.00 O ATOM 1481 CB CYS A 97 0.788 -7.140 -17.798 1.00 0.00 C ATOM 1482 SG CYS A 97 1.264 -5.416 -17.495 1.00 0.00 S ATOM 0 H CYS A 97 -0.916 -5.597 -18.767 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.937 -8.424 -17.992 1.00 0.00 H new ATOM 0 HB2 CYS A 97 1.293 -7.779 -17.074 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.140 -7.436 -18.786 1.00 0.00 H new ATOM 0 HG CYS A 97 2.555 -5.339 -17.363 1.00 0.00 H new ATOM 1488 N ALA A 98 -2.141 -8.062 -15.805 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.745 -7.980 -14.463 1.00 0.00 C ATOM 1490 C ALA A 98 -2.087 -9.015 -13.543 1.00 0.00 C ATOM 1491 O ALA A 98 -2.258 -10.215 -13.744 1.00 0.00 O ATOM 1492 CB ALA A 98 -4.259 -8.221 -14.563 1.00 0.00 C ATOM 0 H ALA A 98 -2.462 -8.864 -16.347 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.581 -6.988 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.704 -8.160 -13.570 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.706 -7.464 -15.208 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.443 -9.210 -14.983 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.368 -8.544 -12.517 1.00 0.00 N ATOM 1499 CA ALA A 99 -0.591 -9.407 -11.610 1.00 0.00 C ATOM 1500 C ALA A 99 -1.318 -9.527 -10.278 1.00 0.00 C ATOM 1501 O ALA A 99 -1.831 -8.536 -9.775 1.00 0.00 O ATOM 1502 CB ALA A 99 0.816 -8.821 -11.405 1.00 0.00 C ATOM 0 H ALA A 99 -1.307 -7.552 -12.289 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.490 -10.400 -12.049 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.384 -9.465 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.327 -8.758 -12.366 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.735 -7.825 -10.971 1.00 0.00 H new ATOM 1508 N GLY A 100 -1.379 -10.752 -9.735 1.00 0.00 N ATOM 1509 CA GLY A 100 -2.042 -11.018 -8.453 1.00 0.00 C ATOM 1510 C GLY A 100 -2.978 -12.206 -8.506 1.00 0.00 C ATOM 1511 O GLY A 100 -3.200 -12.876 -7.490 1.00 0.00 O ATOM 0 H GLY A 100 -0.973 -11.580 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.285 -11.193 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.603 -10.134 -8.150 1.00 0.00 H new ATOM 1664 N ASP A 111 -3.975 -8.134 -8.067 1.00 0.00 N ATOM 1665 CA ASP A 111 -3.339 -7.284 -7.037 1.00 0.00 C ATOM 1666 C ASP A 111 -3.083 -5.870 -7.586 1.00 0.00 C ATOM 1667 O ASP A 111 -3.389 -4.866 -6.928 1.00 0.00 O ATOM 1668 CB ASP A 111 -2.021 -7.963 -6.556 1.00 0.00 C ATOM 1669 CG ASP A 111 -1.309 -7.260 -5.388 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -1.976 -6.935 -4.386 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -0.073 -7.079 -5.450 1.00 0.00 O ATOM 0 HA ASP A 111 -4.007 -7.179 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.247 -8.987 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.332 -8.020 -7.399 1.00 0.00 H new ATOM 1676 N TYR A 112 -2.529 -5.818 -8.810 1.00 0.00 N ATOM 1677 CA TYR A 112 -2.337 -4.578 -9.587 1.00 0.00 C ATOM 1678 C TYR A 112 -2.670 -4.825 -11.063 1.00 0.00 C ATOM 1679 O TYR A 112 -2.600 -5.960 -11.556 1.00 0.00 O ATOM 1680 CB TYR A 112 -0.891 -4.025 -9.437 1.00 0.00 C ATOM 1681 CG TYR A 112 -0.626 -3.397 -8.065 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -0.181 -4.167 -6.996 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -0.847 -2.039 -7.835 1.00 0.00 C ATOM 1684 CE1 TYR A 112 0.020 -3.621 -5.754 1.00 0.00 C ATOM 1685 CE2 TYR A 112 -0.642 -1.484 -6.591 1.00 0.00 C ATOM 1686 CZ TYR A 112 -0.205 -2.279 -5.555 1.00 0.00 C ATOM 1687 OH TYR A 112 -0.007 -1.727 -4.309 1.00 0.00 O ATOM 0 H TYR A 112 -2.196 -6.650 -9.297 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.017 -3.824 -9.190 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.180 -4.834 -9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.711 -3.280 -10.212 1.00 0.00 H new ATOM 0 HD1 TYR A 112 0.011 -5.219 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.185 -1.412 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.353 -4.242 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.823 -0.432 -6.429 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.210 -0.769 -4.340 1.00 0.00 H new ATOM 1697 N TRP A 113 -3.036 -3.737 -11.749 1.00 0.00 N ATOM 1698 CA TRP A 113 -3.404 -3.736 -13.171 1.00 0.00 C ATOM 1699 C TRP A 113 -2.361 -2.906 -13.943 1.00 0.00 C ATOM 1700 O TRP A 113 -2.176 -1.717 -13.657 1.00 0.00 O ATOM 1701 CB TRP A 113 -4.837 -3.141 -13.334 1.00 0.00 C ATOM 1702 CG TRP A 113 -5.457 -3.331 -14.706 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -5.368 -2.497 -15.789 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -6.284 -4.432 -15.123 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -6.069 -3.020 -16.847 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.642 -4.204 -16.463 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.749 -5.590 -14.489 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.437 -5.092 -17.184 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.541 -6.470 -15.204 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.877 -6.215 -16.540 1.00 0.00 C ATOM 0 H TRP A 113 -3.086 -2.812 -11.323 1.00 0.00 H new ATOM 0 HA TRP A 113 -3.414 -4.750 -13.571 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.490 -3.597 -12.590 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.799 -2.074 -13.114 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.825 -1.564 -15.808 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.150 -2.595 -17.771 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.494 -5.793 -13.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.697 -4.900 -18.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.906 -7.367 -14.725 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.497 -6.921 -17.073 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.665 -3.551 -14.892 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.733 -2.852 -15.781 1.00 0.00 C ATOM 1723 C GLY A 114 -1.469 -2.087 -16.873 1.00 0.00 C ATOM 1724 O GLY A 114 -2.562 -2.503 -17.279 1.00 0.00 O ATOM 0 H GLY A 114 -1.732 -4.555 -15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.123 -2.161 -15.199 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.053 -3.572 -16.235 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.868 -0.980 -17.361 1.00 0.00 N ATOM 1729 CA GLN A 115 -1.520 -0.076 -18.339 1.00 0.00 C ATOM 1730 C GLN A 115 -1.837 -0.824 -19.649 1.00 0.00 C ATOM 1731 O GLN A 115 -2.877 -0.585 -20.276 1.00 0.00 O ATOM 1732 CB GLN A 115 -0.643 1.177 -18.655 1.00 0.00 C ATOM 1733 CG GLN A 115 -0.277 2.092 -17.452 1.00 0.00 C ATOM 1734 CD GLN A 115 0.883 1.563 -16.597 1.00 0.00 C ATOM 1735 OE1 GLN A 115 0.570 0.794 -15.567 1.00 0.00 O flip ATOM 1736 NE2 GLN A 115 2.051 1.837 -16.878 1.00 0.00 N flip ATOM 0 H GLN A 115 0.072 -0.688 -17.093 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.448 0.265 -17.881 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.283 0.837 -19.118 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.167 1.781 -19.396 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.017 3.082 -17.827 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.156 2.212 -16.819 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.256 2.433 -17.680 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.813 1.468 -16.309 1.00 0.00 H new ATOM 1745 N GLY A 116 -0.923 -1.727 -20.037 1.00 0.00 N ATOM 1746 CA GLY A 116 -1.070 -2.522 -21.251 1.00 0.00 C ATOM 1747 C GLY A 116 -0.831 -1.723 -22.522 1.00 0.00 C ATOM 1748 O GLY A 116 -0.702 -0.495 -22.475 1.00 0.00 O ATOM 0 H GLY A 116 -0.068 -1.921 -19.516 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.371 -3.357 -21.218 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.073 -2.947 -21.280 1.00 0.00 H new ATOM 1752 N THR A 117 -0.779 -2.409 -23.669 1.00 0.00 N ATOM 1753 CA THR A 117 -0.568 -1.755 -24.975 1.00 0.00 C ATOM 1754 C THR A 117 -1.661 -2.180 -25.979 1.00 0.00 C ATOM 1755 O THR A 117 -2.022 -3.364 -26.062 1.00 0.00 O ATOM 1756 CB THR A 117 0.866 -2.060 -25.541 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.147 -1.227 -26.682 1.00 0.00 O ATOM 1758 CG2 THR A 117 1.046 -3.534 -25.940 1.00 0.00 C ATOM 0 H THR A 117 -0.880 -3.422 -23.724 1.00 0.00 H new ATOM 0 HA THR A 117 -0.641 -0.678 -24.827 1.00 0.00 H new ATOM 0 HB THR A 117 1.566 -1.843 -24.734 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.078 -0.923 -26.644 1.00 0.00 H new ATOM 0 HG21 THR A 117 2.055 -3.686 -26.324 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.890 -4.169 -25.068 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.321 -3.793 -26.712 1.00 0.00 H new ATOM 1766 N GLN A 118 -2.207 -1.194 -26.717 1.00 0.00 N ATOM 1767 CA GLN A 118 -3.195 -1.448 -27.773 1.00 0.00 C ATOM 1768 C GLN A 118 -2.439 -1.901 -29.027 1.00 0.00 C ATOM 1769 O GLN A 118 -1.746 -1.098 -29.658 1.00 0.00 O ATOM 1770 CB GLN A 118 -4.066 -0.179 -28.045 1.00 0.00 C ATOM 1771 CG GLN A 118 -5.461 -0.444 -28.683 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.444 -0.986 -30.123 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.424 -1.815 -30.466 1.00 0.00 O flip ATOM 1774 NE2 GLN A 118 -4.562 -0.659 -30.924 1.00 0.00 N flip ATOM 0 H GLN A 118 -1.975 -0.208 -26.596 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.887 -2.231 -27.463 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.212 0.348 -27.102 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.508 0.489 -28.701 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.999 -1.153 -28.054 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.028 0.487 -28.671 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.821 -0.021 -30.634 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.575 -1.027 -31.875 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.547 -3.193 -29.354 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.946 -3.773 -30.564 1.00 0.00 C ATOM 1785 C VAL A 119 -2.968 -3.710 -31.716 1.00 0.00 C ATOM 1786 O VAL A 119 -4.182 -3.788 -31.482 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.462 -5.259 -30.318 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.631 -5.363 -29.013 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.633 -6.273 -30.314 1.00 0.00 C ATOM 0 H VAL A 119 -3.056 -3.870 -28.786 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.063 -3.192 -30.830 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.820 -5.524 -31.158 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.310 -6.395 -28.867 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.244 -4.718 -29.087 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.242 -5.050 -28.167 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.245 -7.277 -30.141 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.336 -6.014 -29.522 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.144 -6.242 -31.276 1.00 0.00 H new ATOM 1799 N THR A 120 -2.477 -3.519 -32.944 1.00 0.00 N ATOM 1800 CA THR A 120 -3.312 -3.484 -34.150 1.00 0.00 C ATOM 1801 C THR A 120 -2.820 -4.544 -35.141 1.00 0.00 C ATOM 1802 O THR A 120 -1.692 -4.465 -35.643 1.00 0.00 O ATOM 1803 CB THR A 120 -3.289 -2.068 -34.816 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.660 -1.068 -33.844 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.234 -1.975 -36.036 1.00 0.00 C ATOM 0 H THR A 120 -1.484 -3.383 -33.131 1.00 0.00 H new ATOM 0 HA THR A 120 -4.342 -3.699 -33.865 1.00 0.00 H new ATOM 0 HB THR A 120 -2.274 -1.894 -35.172 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.643 -0.182 -34.263 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.181 -0.973 -36.462 1.00 0.00 H new ATOM 0 HG22 THR A 120 -3.931 -2.705 -36.787 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.257 -2.182 -35.721 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.660 -5.553 -35.389 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.412 -6.571 -36.411 1.00 0.00 C ATOM 1815 C VAL A 121 -4.201 -6.207 -37.687 1.00 0.00 C ATOM 1816 O VAL A 121 -5.429 -6.033 -37.659 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.756 -8.018 -35.893 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -5.180 -8.095 -35.312 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.531 -9.096 -36.988 1.00 0.00 C ATOM 0 H VAL A 121 -4.536 -5.686 -34.883 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.348 -6.586 -36.648 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.062 -8.234 -35.081 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.377 -9.110 -34.966 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.269 -7.402 -34.475 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.903 -7.828 -36.083 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.780 -10.079 -36.588 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.168 -8.881 -37.846 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.487 -9.086 -37.300 1.00 0.00 H new ATOM 1829 N SER A 122 -3.458 -6.037 -38.784 1.00 0.00 N ATOM 1830 CA SER A 122 -3.994 -5.657 -40.086 1.00 0.00 C ATOM 1831 C SER A 122 -4.756 -6.837 -40.709 1.00 0.00 C ATOM 1832 O SER A 122 -4.142 -7.848 -41.070 1.00 0.00 O ATOM 1833 CB SER A 122 -2.826 -5.220 -41.014 1.00 0.00 C ATOM 1834 OG SER A 122 -3.268 -4.878 -42.320 1.00 0.00 O ATOM 0 H SER A 122 -2.446 -6.163 -38.788 1.00 0.00 H new ATOM 0 HA SER A 122 -4.688 -4.825 -39.964 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.315 -4.365 -40.571 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.097 -6.028 -41.080 1.00 0.00 H new ATOM 0 HG SER A 122 -2.500 -4.609 -42.865 1.00 0.00 H new ATOM 1840 N SER A 123 -6.088 -6.696 -40.824 1.00 0.00 N ATOM 1841 CA SER A 123 -6.937 -7.661 -41.530 1.00 0.00 C ATOM 1842 C SER A 123 -6.713 -7.507 -43.047 1.00 0.00 C ATOM 1843 O SER A 123 -6.934 -6.421 -43.608 1.00 0.00 O ATOM 1844 CB SER A 123 -8.425 -7.460 -41.139 1.00 0.00 C ATOM 1845 OG SER A 123 -8.856 -6.123 -41.338 1.00 0.00 O ATOM 0 H SER A 123 -6.602 -5.909 -40.429 1.00 0.00 H new ATOM 0 HA SER A 123 -6.668 -8.677 -41.243 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.048 -8.132 -41.729 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.564 -7.733 -40.093 1.00 0.00 H new ATOM 0 HG SER A 123 -8.367 -5.730 -42.091 1.00 0.00 H new