USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 815 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 77 LYS NZ :NH3+ -111:sc= 1.15 (180deg=-0.306) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.1: A 32 SER OG : rot 121:sc= -0.613 USER MOD Set 2.2: A 35 MET CE :methyl -172:sc= -0.0021 (180deg=-0.105) USER MOD Set 3.1: A 8 SER OG : rot -28:sc= 1.08 USER MOD Set 3.2: A 22 SER OG : rot 74:sc= 0.55 USER MOD Set 4.1: A 4 GLN : amide:sc= 0.251 X(o=0.52,f=0.54) USER MOD Set 4.2: A 26 SER OG : rot 62:sc= 0.268 USER MOD Set 4.3: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -2.64 K(o=-2.6,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -53:sc= -3.57 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 40 GLN : amide:sc= -0.0378 K(o=-0.038,f=-2.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -54:sc= 0.142 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 0.514 (180deg=0.314) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.149 K(o=0.15,f=-3.5!) USER MOD Single : A 78 ASN : amide:sc= 0.361 K(o=0.36,f=-6.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.803 K(o=-0.8,f=-1.3) USER MOD Single : A 84 MET CE :methyl -143:sc= -0.0962 (180deg=-0.417) USER MOD Single : A 85 ASN : amide:sc= -1.11! K(o=-1.1!,f=-0.53) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 80:sc= 0.0522 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 25:sc= 0.733 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.14) USER MOD Single : A 117 THR OG1 : rot 178:sc= -1.86! USER MOD Single : A 118 GLN : amide:sc= -2.74! K(o=-2.7!,f=-0.16) USER MOD Single : A 120 THR OG1 : rot 180:sc=-0.00739 USER MOD Single : A 122 SER OG : rot 180:sc=-0.00594 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 1.095 2.976 -6.816 1.00 0.00 N ATOM 38 CA LEU A 3 1.502 3.838 -7.937 1.00 0.00 C ATOM 39 C LEU A 3 1.397 5.305 -7.538 1.00 0.00 C ATOM 40 O LEU A 3 0.299 5.816 -7.313 1.00 0.00 O ATOM 41 CB LEU A 3 0.655 3.547 -9.219 1.00 0.00 C ATOM 42 CG LEU A 3 1.000 2.223 -9.965 1.00 0.00 C ATOM 43 CD1 LEU A 3 2.528 2.073 -10.080 1.00 0.00 C ATOM 44 CD2 LEU A 3 0.335 0.989 -9.321 1.00 0.00 C ATOM 0 HA LEU A 3 2.542 3.614 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.398 3.522 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.781 4.378 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 3 0.584 2.281 -10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.764 1.146 -10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.936 2.917 -10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.967 2.050 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.609 0.095 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.674 0.890 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.748 1.109 -9.337 1.00 0.00 H new ATOM 56 N GLN A 4 2.558 5.969 -7.413 1.00 0.00 N ATOM 57 CA GLN A 4 2.632 7.420 -7.191 1.00 0.00 C ATOM 58 C GLN A 4 3.403 8.062 -8.347 1.00 0.00 C ATOM 59 O GLN A 4 4.613 7.881 -8.468 1.00 0.00 O ATOM 60 CB GLN A 4 3.301 7.747 -5.828 1.00 0.00 C ATOM 61 CG GLN A 4 2.564 7.175 -4.603 1.00 0.00 C ATOM 62 CD GLN A 4 3.229 7.525 -3.267 1.00 0.00 C ATOM 63 OE1 GLN A 4 4.072 6.784 -2.761 1.00 0.00 O ATOM 64 NE2 GLN A 4 2.865 8.672 -2.702 1.00 0.00 N ATOM 0 H GLN A 4 3.470 5.514 -7.463 1.00 0.00 H new ATOM 0 HA GLN A 4 1.622 7.828 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.320 7.361 -5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.371 8.830 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.540 7.549 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.507 6.091 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.163 9.261 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.288 8.963 -1.821 1.00 0.00 H new ATOM 73 N LEU A 5 2.685 8.787 -9.208 1.00 0.00 N ATOM 74 CA LEU A 5 3.271 9.454 -10.376 1.00 0.00 C ATOM 75 C LEU A 5 3.565 10.923 -10.017 1.00 0.00 C ATOM 76 O LEU A 5 2.640 11.715 -9.809 1.00 0.00 O ATOM 77 CB LEU A 5 2.317 9.350 -11.608 1.00 0.00 C ATOM 78 CG LEU A 5 2.058 7.927 -12.218 1.00 0.00 C ATOM 79 CD1 LEU A 5 3.361 7.227 -12.629 1.00 0.00 C ATOM 80 CD2 LEU A 5 1.208 7.038 -11.296 1.00 0.00 C ATOM 0 H LEU A 5 1.679 8.929 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 5 4.204 8.962 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.353 9.771 -11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.720 9.984 -12.398 1.00 0.00 H new ATOM 0 HG LEU A 5 1.477 8.088 -13.126 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.131 6.246 -13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.876 7.828 -13.378 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.002 7.109 -11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.058 6.065 -11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.721 6.906 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.241 7.511 -11.125 1.00 0.00 H new ATOM 92 N VAL A 6 4.860 11.264 -9.884 1.00 0.00 N ATOM 93 CA VAL A 6 5.307 12.629 -9.545 1.00 0.00 C ATOM 94 C VAL A 6 6.159 13.183 -10.695 1.00 0.00 C ATOM 95 O VAL A 6 7.319 12.783 -10.864 1.00 0.00 O ATOM 96 CB VAL A 6 6.130 12.649 -8.201 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.576 14.088 -7.824 1.00 0.00 C ATOM 98 CG2 VAL A 6 5.336 11.987 -7.042 1.00 0.00 C ATOM 0 H VAL A 6 5.626 10.602 -10.008 1.00 0.00 H new ATOM 0 HA VAL A 6 4.427 13.256 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 6 7.032 12.060 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.141 14.061 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.204 14.494 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.697 14.720 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.931 12.017 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.403 12.528 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.116 10.951 -7.297 1.00 0.00 H new ATOM 108 N GLU A 7 5.578 14.098 -11.486 1.00 0.00 N ATOM 109 CA GLU A 7 6.251 14.685 -12.662 1.00 0.00 C ATOM 110 C GLU A 7 7.281 15.748 -12.241 1.00 0.00 C ATOM 111 O GLU A 7 7.187 16.349 -11.162 1.00 0.00 O ATOM 112 CB GLU A 7 5.233 15.315 -13.659 1.00 0.00 C ATOM 113 CG GLU A 7 4.265 14.330 -14.350 1.00 0.00 C ATOM 114 CD GLU A 7 3.297 13.627 -13.388 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.246 12.383 -13.370 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.611 14.332 -12.624 1.00 0.00 O ATOM 0 H GLU A 7 4.634 14.452 -11.333 1.00 0.00 H new ATOM 0 HA GLU A 7 6.766 13.867 -13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.643 16.058 -13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.791 15.846 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.687 14.870 -15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.847 13.575 -14.879 1.00 0.00 H new ATOM 123 N SER A 8 8.263 15.959 -13.129 1.00 0.00 N ATOM 124 CA SER A 8 9.307 16.981 -12.999 1.00 0.00 C ATOM 125 C SER A 8 9.831 17.333 -14.404 1.00 0.00 C ATOM 126 O SER A 8 9.745 16.513 -15.328 1.00 0.00 O ATOM 127 CB SER A 8 10.445 16.477 -12.074 1.00 0.00 C ATOM 128 OG SER A 8 10.911 15.197 -12.468 1.00 0.00 O ATOM 0 H SER A 8 8.354 15.406 -13.982 1.00 0.00 H new ATOM 0 HA SER A 8 8.896 17.881 -12.541 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.272 17.187 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.086 16.433 -11.046 1.00 0.00 H new ATOM 0 HG SER A 8 10.188 14.708 -12.913 1.00 0.00 H new ATOM 134 N GLY A 9 10.359 18.557 -14.561 1.00 0.00 N ATOM 135 CA GLY A 9 10.800 19.068 -15.868 1.00 0.00 C ATOM 136 C GLY A 9 9.773 20.011 -16.497 1.00 0.00 C ATOM 137 O GLY A 9 10.014 20.559 -17.576 1.00 0.00 O ATOM 0 H GLY A 9 10.491 19.215 -13.793 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.748 19.593 -15.750 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.981 18.230 -16.541 1.00 0.00 H new ATOM 141 N GLY A 10 8.623 20.190 -15.814 1.00 0.00 N ATOM 142 CA GLY A 10 7.564 21.088 -16.277 1.00 0.00 C ATOM 143 C GLY A 10 7.972 22.551 -16.184 1.00 0.00 C ATOM 144 O GLY A 10 8.042 23.113 -15.087 1.00 0.00 O ATOM 0 H GLY A 10 8.411 19.717 -14.935 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.311 20.848 -17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.665 20.924 -15.683 1.00 0.00 H new ATOM 148 N GLY A 11 8.270 23.147 -17.346 1.00 0.00 N ATOM 149 CA GLY A 11 8.658 24.549 -17.447 1.00 0.00 C ATOM 150 C GLY A 11 8.370 25.088 -18.829 1.00 0.00 C ATOM 151 O GLY A 11 7.781 24.383 -19.669 1.00 0.00 O ATOM 0 H GLY A 11 8.247 22.663 -18.243 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.118 25.135 -16.704 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.720 24.654 -17.225 1.00 0.00 H new ATOM 155 N LEU A 12 8.769 26.340 -19.070 1.00 0.00 N ATOM 156 CA LEU A 12 8.627 26.975 -20.379 1.00 0.00 C ATOM 157 C LEU A 12 9.874 26.666 -21.227 1.00 0.00 C ATOM 158 O LEU A 12 10.999 26.689 -20.722 1.00 0.00 O ATOM 159 CB LEU A 12 8.373 28.504 -20.209 1.00 0.00 C ATOM 160 CG LEU A 12 7.975 29.329 -21.491 1.00 0.00 C ATOM 161 CD1 LEU A 12 7.118 30.561 -21.139 1.00 0.00 C ATOM 162 CD2 LEU A 12 9.210 29.773 -22.298 1.00 0.00 C ATOM 0 H LEU A 12 9.198 26.939 -18.364 1.00 0.00 H new ATOM 0 HA LEU A 12 7.762 26.573 -20.906 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.583 28.632 -19.469 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.276 28.949 -19.791 1.00 0.00 H new ATOM 0 HG LEU A 12 7.381 28.656 -22.109 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.866 31.101 -22.051 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.202 30.238 -20.644 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.679 31.216 -20.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.889 30.338 -23.173 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.846 30.400 -21.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.770 28.895 -22.619 1.00 0.00 H new ATOM 174 N VAL A 13 9.643 26.340 -22.504 1.00 0.00 N ATOM 175 CA VAL A 13 10.694 26.108 -23.516 1.00 0.00 C ATOM 176 C VAL A 13 10.296 26.801 -24.825 1.00 0.00 C ATOM 177 O VAL A 13 9.171 27.260 -24.970 1.00 0.00 O ATOM 178 CB VAL A 13 10.946 24.569 -23.779 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.697 23.898 -22.598 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.613 23.836 -24.073 1.00 0.00 C ATOM 0 H VAL A 13 8.700 26.226 -22.876 1.00 0.00 H new ATOM 0 HA VAL A 13 11.625 26.526 -23.132 1.00 0.00 H new ATOM 0 HB VAL A 13 11.585 24.488 -24.658 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.851 22.841 -22.818 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.663 24.384 -22.458 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.106 23.997 -21.688 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.811 22.779 -24.251 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.944 23.941 -23.219 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.146 24.271 -24.956 1.00 0.00 H new ATOM 190 N GLN A 14 11.242 26.878 -25.761 1.00 0.00 N ATOM 191 CA GLN A 14 11.020 27.461 -27.103 1.00 0.00 C ATOM 192 C GLN A 14 10.490 26.392 -28.082 1.00 0.00 C ATOM 193 O GLN A 14 10.770 25.188 -27.925 1.00 0.00 O ATOM 194 CB GLN A 14 12.339 28.097 -27.660 1.00 0.00 C ATOM 195 CG GLN A 14 13.473 27.107 -28.066 1.00 0.00 C ATOM 196 CD GLN A 14 14.066 26.289 -26.906 1.00 0.00 C ATOM 197 OE1 GLN A 14 14.999 26.724 -26.246 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.498 25.117 -26.627 1.00 0.00 N ATOM 0 H GLN A 14 12.193 26.538 -25.618 1.00 0.00 H new ATOM 0 HA GLN A 14 10.271 28.247 -27.007 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.085 28.700 -28.532 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.734 28.777 -26.906 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.083 26.418 -28.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.276 27.672 -28.540 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.721 24.779 -27.195 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.840 24.558 -25.846 1.00 0.00 H new ATOM 207 N ALA A 15 9.713 26.840 -29.088 1.00 0.00 N ATOM 208 CA ALA A 15 9.258 25.990 -30.196 1.00 0.00 C ATOM 209 C ALA A 15 10.433 25.633 -31.112 1.00 0.00 C ATOM 210 O ALA A 15 11.319 26.457 -31.335 1.00 0.00 O ATOM 211 CB ALA A 15 8.153 26.704 -30.974 1.00 0.00 C ATOM 0 H ALA A 15 9.385 27.804 -29.151 1.00 0.00 H new ATOM 0 HA ALA A 15 8.854 25.061 -29.793 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.818 26.070 -31.795 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.314 26.909 -30.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.537 27.642 -31.374 1.00 0.00 H new ATOM 217 N GLY A 16 10.450 24.392 -31.605 1.00 0.00 N ATOM 218 CA GLY A 16 11.563 23.871 -32.401 1.00 0.00 C ATOM 219 C GLY A 16 12.593 23.155 -31.538 1.00 0.00 C ATOM 220 O GLY A 16 13.308 22.269 -32.022 1.00 0.00 O ATOM 0 H GLY A 16 9.694 23.722 -31.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.179 23.183 -33.154 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.043 24.692 -32.934 1.00 0.00 H new ATOM 224 N GLY A 17 12.665 23.554 -30.252 1.00 0.00 N ATOM 225 CA GLY A 17 13.481 22.871 -29.256 1.00 0.00 C ATOM 226 C GLY A 17 12.790 21.632 -28.698 1.00 0.00 C ATOM 227 O GLY A 17 11.729 21.226 -29.190 1.00 0.00 O ATOM 0 H GLY A 17 12.156 24.359 -29.886 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.433 22.584 -29.703 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.706 23.558 -28.440 1.00 0.00 H new ATOM 231 N SER A 18 13.390 21.034 -27.668 1.00 0.00 N ATOM 232 CA SER A 18 12.856 19.835 -27.009 1.00 0.00 C ATOM 233 C SER A 18 12.653 20.089 -25.507 1.00 0.00 C ATOM 234 O SER A 18 13.165 21.073 -24.950 1.00 0.00 O ATOM 235 CB SER A 18 13.804 18.634 -27.251 1.00 0.00 C ATOM 236 OG SER A 18 15.138 18.928 -26.878 1.00 0.00 O ATOM 0 H SER A 18 14.265 21.367 -27.263 1.00 0.00 H new ATOM 0 HA SER A 18 11.883 19.597 -27.439 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.450 17.773 -26.684 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.775 18.356 -28.304 1.00 0.00 H new ATOM 0 HG SER A 18 15.704 18.146 -27.044 1.00 0.00 H new ATOM 242 N LEU A 19 11.874 19.201 -24.878 1.00 0.00 N ATOM 243 CA LEU A 19 11.643 19.183 -23.430 1.00 0.00 C ATOM 244 C LEU A 19 11.431 17.729 -22.999 1.00 0.00 C ATOM 245 O LEU A 19 10.611 17.010 -23.593 1.00 0.00 O ATOM 246 CB LEU A 19 10.423 20.063 -23.036 1.00 0.00 C ATOM 247 CG LEU A 19 10.085 20.141 -21.510 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.293 20.636 -20.680 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.835 21.019 -21.261 1.00 0.00 C ATOM 0 H LEU A 19 11.377 18.460 -25.372 1.00 0.00 H new ATOM 0 HA LEU A 19 12.509 19.603 -22.918 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.601 21.075 -23.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.546 19.686 -23.561 1.00 0.00 H new ATOM 0 HG LEU A 19 9.856 19.129 -21.175 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.018 20.676 -19.626 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.130 19.950 -20.811 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.583 21.631 -21.018 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.623 21.056 -20.192 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.020 22.028 -21.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.980 20.592 -21.786 1.00 0.00 H new ATOM 261 N ARG A 20 12.197 17.300 -21.988 1.00 0.00 N ATOM 262 CA ARG A 20 12.118 15.953 -21.432 1.00 0.00 C ATOM 263 C ARG A 20 11.472 16.014 -20.046 1.00 0.00 C ATOM 264 O ARG A 20 12.044 16.579 -19.106 1.00 0.00 O ATOM 265 CB ARG A 20 13.519 15.294 -21.327 1.00 0.00 C ATOM 266 CG ARG A 20 13.499 13.782 -20.930 1.00 0.00 C ATOM 267 CD ARG A 20 14.547 13.430 -19.860 1.00 0.00 C ATOM 268 NE ARG A 20 14.245 14.078 -18.566 1.00 0.00 N ATOM 269 CZ ARG A 20 15.044 14.065 -17.485 1.00 0.00 C ATOM 270 NH1 ARG A 20 16.258 13.524 -17.535 1.00 0.00 N ATOM 271 NH2 ARG A 20 14.623 14.618 -16.357 1.00 0.00 N ATOM 0 H ARG A 20 12.895 17.888 -21.532 1.00 0.00 H new ATOM 0 HA ARG A 20 11.512 15.344 -22.103 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.028 15.398 -22.286 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.109 15.841 -20.592 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.507 13.522 -20.560 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.676 13.176 -21.818 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.582 12.349 -19.726 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.534 13.741 -20.201 1.00 0.00 H new ATOM 0 HE ARG A 20 13.358 14.576 -18.487 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.596 13.110 -18.404 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.851 13.523 -16.705 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.699 15.049 -16.314 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.222 14.613 -15.532 1.00 0.00 H new ATOM 285 N LEU A 21 10.277 15.438 -19.939 1.00 0.00 N ATOM 286 CA LEU A 21 9.594 15.228 -18.665 1.00 0.00 C ATOM 287 C LEU A 21 10.105 13.930 -18.036 1.00 0.00 C ATOM 288 O LEU A 21 10.578 13.024 -18.736 1.00 0.00 O ATOM 289 CB LEU A 21 8.045 15.159 -18.859 1.00 0.00 C ATOM 290 CG LEU A 21 7.311 16.497 -19.197 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.608 17.564 -18.137 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.638 16.997 -20.623 1.00 0.00 C ATOM 0 H LEU A 21 9.750 15.100 -20.744 1.00 0.00 H new ATOM 0 HA LEU A 21 9.807 16.070 -18.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.835 14.447 -19.657 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.607 14.754 -17.947 1.00 0.00 H new ATOM 0 HG LEU A 21 6.240 16.297 -19.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.087 18.486 -18.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.268 17.213 -17.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.681 17.752 -18.101 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.106 17.929 -20.813 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.711 17.167 -20.712 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.328 16.247 -21.351 1.00 0.00 H new ATOM 304 N SER A 22 10.029 13.870 -16.710 1.00 0.00 N ATOM 305 CA SER A 22 10.410 12.695 -15.935 1.00 0.00 C ATOM 306 C SER A 22 9.433 12.533 -14.768 1.00 0.00 C ATOM 307 O SER A 22 9.278 13.435 -13.949 1.00 0.00 O ATOM 308 CB SER A 22 11.870 12.849 -15.444 1.00 0.00 C ATOM 309 OG SER A 22 12.103 14.143 -14.901 1.00 0.00 O ATOM 0 H SER A 22 9.697 14.646 -16.137 1.00 0.00 H new ATOM 0 HA SER A 22 10.361 11.797 -16.551 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.083 12.092 -14.689 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.555 12.673 -16.274 1.00 0.00 H new ATOM 0 HG SER A 22 11.672 14.212 -14.024 1.00 0.00 H new ATOM 315 N CYS A 23 8.777 11.377 -14.713 1.00 0.00 N ATOM 316 CA CYS A 23 7.854 11.015 -13.646 1.00 0.00 C ATOM 317 C CYS A 23 8.512 9.986 -12.731 1.00 0.00 C ATOM 318 O CYS A 23 8.760 8.849 -13.137 1.00 0.00 O ATOM 319 CB CYS A 23 6.555 10.449 -14.230 1.00 0.00 C ATOM 320 SG CYS A 23 5.396 9.875 -12.981 1.00 0.00 S ATOM 0 H CYS A 23 8.876 10.652 -15.424 1.00 0.00 H new ATOM 0 HA CYS A 23 7.610 11.907 -13.069 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.073 11.217 -14.835 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.796 9.622 -14.898 1.00 0.00 H new ATOM 0 HG CYS A 23 5.997 9.046 -12.180 1.00 0.00 H new ATOM 326 N VAL A 24 8.804 10.394 -11.500 1.00 0.00 N ATOM 327 CA VAL A 24 9.411 9.521 -10.500 1.00 0.00 C ATOM 328 C VAL A 24 8.297 8.703 -9.825 1.00 0.00 C ATOM 329 O VAL A 24 7.372 9.269 -9.219 1.00 0.00 O ATOM 330 CB VAL A 24 10.203 10.367 -9.447 1.00 0.00 C ATOM 331 CG1 VAL A 24 10.932 9.466 -8.425 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.196 11.331 -10.148 1.00 0.00 C ATOM 0 H VAL A 24 8.626 11.341 -11.167 1.00 0.00 H new ATOM 0 HA VAL A 24 10.120 8.843 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 24 9.479 10.966 -8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.471 10.088 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.203 8.853 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.638 8.820 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.735 11.908 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.906 10.754 -10.740 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.646 12.009 -10.800 1.00 0.00 H new ATOM 342 N ALA A 25 8.385 7.369 -9.961 1.00 0.00 N ATOM 343 CA ALA A 25 7.341 6.453 -9.497 1.00 0.00 C ATOM 344 C ALA A 25 7.598 6.038 -8.040 1.00 0.00 C ATOM 345 O ALA A 25 8.457 5.181 -7.766 1.00 0.00 O ATOM 346 CB ALA A 25 7.262 5.226 -10.429 1.00 0.00 C ATOM 0 H ALA A 25 9.181 6.901 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 25 6.379 6.964 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.483 4.550 -10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.027 5.553 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.220 4.706 -10.429 1.00 0.00 H new ATOM 352 N SER A 26 6.869 6.715 -7.120 1.00 0.00 N ATOM 353 CA SER A 26 6.831 6.405 -5.681 1.00 0.00 C ATOM 354 C SER A 26 8.243 6.504 -5.044 1.00 0.00 C ATOM 355 O SER A 26 8.616 5.704 -4.171 1.00 0.00 O ATOM 356 CB SER A 26 6.162 5.016 -5.470 1.00 0.00 C ATOM 357 OG SER A 26 5.963 4.726 -4.098 1.00 0.00 O ATOM 0 H SER A 26 6.280 7.509 -7.370 1.00 0.00 H new ATOM 0 HA SER A 26 6.224 7.148 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.203 4.993 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.785 4.242 -5.918 1.00 0.00 H new ATOM 0 HG SER A 26 5.363 5.394 -3.706 1.00 0.00 H new ATOM 363 N GLY A 27 9.012 7.526 -5.483 1.00 0.00 N ATOM 364 CA GLY A 27 10.418 7.691 -5.082 1.00 0.00 C ATOM 365 C GLY A 27 11.316 6.702 -5.829 1.00 0.00 C ATOM 366 O GLY A 27 12.127 7.090 -6.676 1.00 0.00 O ATOM 0 H GLY A 27 8.675 8.250 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.742 8.711 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.515 7.537 -4.007 1.00 0.00 H new ATOM 370 N ARG A 28 11.168 5.416 -5.478 1.00 0.00 N ATOM 371 CA ARG A 28 11.697 4.284 -6.244 1.00 0.00 C ATOM 372 C ARG A 28 10.967 3.009 -5.796 1.00 0.00 C ATOM 373 O ARG A 28 11.376 2.343 -4.835 1.00 0.00 O ATOM 374 CB ARG A 28 13.235 4.132 -6.077 1.00 0.00 C ATOM 375 CG ARG A 28 13.846 3.028 -6.969 1.00 0.00 C ATOM 376 CD ARG A 28 15.369 2.910 -6.839 1.00 0.00 C ATOM 377 NE ARG A 28 15.788 2.429 -5.519 1.00 0.00 N ATOM 378 CZ ARG A 28 17.056 2.276 -5.130 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.068 2.659 -5.900 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.304 1.756 -3.950 1.00 0.00 N ATOM 0 H ARG A 28 10.667 5.131 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 28 11.521 4.463 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.714 5.083 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.459 3.910 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.392 2.071 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.593 3.231 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.743 2.230 -7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.822 3.883 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 28 15.057 2.194 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.885 3.081 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.028 2.532 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.533 1.475 -3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.268 1.633 -3.639 1.00 0.00 H new ATOM 394 N THR A 29 9.822 2.739 -6.432 1.00 0.00 N ATOM 395 CA THR A 29 9.030 1.521 -6.209 1.00 0.00 C ATOM 396 C THR A 29 8.482 1.020 -7.555 1.00 0.00 C ATOM 397 O THR A 29 8.056 1.823 -8.394 1.00 0.00 O ATOM 398 CB THR A 29 7.851 1.783 -5.207 1.00 0.00 C ATOM 399 OG1 THR A 29 8.366 2.329 -3.982 1.00 0.00 O ATOM 400 CG2 THR A 29 7.041 0.508 -4.892 1.00 0.00 C ATOM 0 H THR A 29 9.413 3.366 -7.124 1.00 0.00 H new ATOM 0 HA THR A 29 9.675 0.761 -5.768 1.00 0.00 H new ATOM 0 HB THR A 29 7.176 2.490 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.626 2.492 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.239 0.749 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.614 0.112 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.697 -0.239 -4.446 1.00 0.00 H new ATOM 408 N PHE A 30 8.496 -0.308 -7.743 1.00 0.00 N ATOM 409 CA PHE A 30 7.913 -0.969 -8.916 1.00 0.00 C ATOM 410 C PHE A 30 6.616 -1.655 -8.480 1.00 0.00 C ATOM 411 O PHE A 30 6.532 -2.201 -7.367 1.00 0.00 O ATOM 412 CB PHE A 30 8.915 -1.991 -9.542 1.00 0.00 C ATOM 413 CG PHE A 30 9.377 -3.119 -8.606 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.476 -2.952 -7.762 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.713 -4.352 -8.574 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.893 -3.970 -6.923 1.00 0.00 C ATOM 417 CE2 PHE A 30 9.132 -5.366 -7.734 1.00 0.00 C ATOM 418 CZ PHE A 30 10.221 -5.175 -6.910 1.00 0.00 C ATOM 0 H PHE A 30 8.916 -0.957 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 30 7.697 -0.232 -9.689 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.450 -2.438 -10.420 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.794 -1.447 -9.889 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.009 -2.013 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.860 -4.513 -9.216 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.746 -3.821 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.606 -6.309 -7.723 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.548 -5.969 -6.254 1.00 0.00 H new ATOM 428 N ARG A 31 5.607 -1.599 -9.348 1.00 0.00 N ATOM 429 CA ARG A 31 4.294 -2.194 -9.090 1.00 0.00 C ATOM 430 C ARG A 31 3.590 -2.452 -10.424 1.00 0.00 C ATOM 431 O ARG A 31 3.068 -3.548 -10.657 1.00 0.00 O ATOM 432 CB ARG A 31 3.432 -1.270 -8.177 1.00 0.00 C ATOM 433 CG ARG A 31 2.081 -1.886 -7.736 1.00 0.00 C ATOM 434 CD ARG A 31 2.257 -3.198 -6.951 1.00 0.00 C ATOM 435 NE ARG A 31 0.977 -3.813 -6.558 1.00 0.00 N ATOM 436 CZ ARG A 31 0.856 -5.021 -5.989 1.00 0.00 C ATOM 437 NH1 ARG A 31 1.922 -5.792 -5.781 1.00 0.00 N ATOM 438 NH2 ARG A 31 -0.340 -5.452 -5.629 1.00 0.00 N ATOM 0 H ARG A 31 5.676 -1.138 -10.255 1.00 0.00 H new ATOM 0 HA ARG A 31 4.426 -3.139 -8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.010 -1.017 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.237 -0.337 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.542 -1.167 -7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.467 -2.073 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.821 -3.905 -7.559 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.849 -3.003 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 31 0.123 -3.283 -6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.849 -5.466 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.812 -6.708 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.161 -4.867 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.442 -6.370 -5.195 1.00 0.00 H new ATOM 452 N SER A 32 3.574 -1.423 -11.289 1.00 0.00 N ATOM 453 CA SER A 32 2.964 -1.508 -12.619 1.00 0.00 C ATOM 454 C SER A 32 4.029 -1.776 -13.695 1.00 0.00 C ATOM 455 O SER A 32 5.107 -1.161 -13.696 1.00 0.00 O ATOM 456 CB SER A 32 2.203 -0.207 -12.939 1.00 0.00 C ATOM 457 OG SER A 32 3.068 0.909 -12.989 1.00 0.00 O ATOM 0 H SER A 32 3.984 -0.512 -11.082 1.00 0.00 H new ATOM 0 HA SER A 32 2.261 -2.341 -12.619 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.690 -0.312 -13.895 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.436 -0.039 -12.182 1.00 0.00 H new ATOM 0 HG SER A 32 3.014 1.325 -13.875 1.00 0.00 H new ATOM 463 N ASN A 33 3.723 -2.730 -14.579 1.00 0.00 N ATOM 464 CA ASN A 33 4.434 -2.915 -15.857 1.00 0.00 C ATOM 465 C ASN A 33 3.634 -2.236 -16.982 1.00 0.00 C ATOM 466 O ASN A 33 4.042 -2.254 -18.140 1.00 0.00 O ATOM 467 CB ASN A 33 4.633 -4.420 -16.162 1.00 0.00 C ATOM 468 CG ASN A 33 5.508 -5.149 -15.137 1.00 0.00 C ATOM 469 OD1 ASN A 33 6.359 -4.550 -14.482 1.00 0.00 O ATOM 470 ND2 ASN A 33 5.330 -6.461 -15.021 1.00 0.00 N ATOM 0 H ASN A 33 2.971 -3.403 -14.431 1.00 0.00 H new ATOM 0 HA ASN A 33 5.421 -2.457 -15.788 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.658 -4.905 -16.203 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.083 -4.525 -17.149 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.908 -6.999 -14.375 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.616 -6.930 -15.578 1.00 0.00 H new ATOM 477 N ALA A 34 2.491 -1.630 -16.610 1.00 0.00 N ATOM 478 CA ALA A 34 1.601 -0.910 -17.521 1.00 0.00 C ATOM 479 C ALA A 34 1.558 0.568 -17.094 1.00 0.00 C ATOM 480 O ALA A 34 1.284 0.876 -15.926 1.00 0.00 O ATOM 481 CB ALA A 34 0.208 -1.557 -17.489 1.00 0.00 C ATOM 0 H ALA A 34 2.159 -1.631 -15.645 1.00 0.00 H new ATOM 0 HA ALA A 34 1.965 -0.962 -18.547 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.457 -1.022 -18.167 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.283 -2.599 -17.801 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.192 -1.510 -16.476 1.00 0.00 H new ATOM 487 N MET A 35 1.860 1.460 -18.047 1.00 0.00 N ATOM 488 CA MET A 35 2.023 2.915 -17.841 1.00 0.00 C ATOM 489 C MET A 35 1.640 3.666 -19.126 1.00 0.00 C ATOM 490 O MET A 35 1.412 3.050 -20.172 1.00 0.00 O ATOM 491 CB MET A 35 3.486 3.280 -17.401 1.00 0.00 C ATOM 492 CG MET A 35 3.809 2.917 -15.947 1.00 0.00 C ATOM 493 SD MET A 35 5.440 3.457 -15.400 1.00 0.00 S ATOM 494 CE MET A 35 5.337 3.191 -13.626 1.00 0.00 C ATOM 0 H MET A 35 2.004 1.184 -19.018 1.00 0.00 H new ATOM 0 HA MET A 35 1.358 3.221 -17.033 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.190 2.768 -18.057 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.640 4.350 -17.540 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.054 3.359 -15.297 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.737 1.836 -15.829 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.218 3.613 -13.143 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.442 3.677 -13.237 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.288 2.122 -13.421 1.00 0.00 H new ATOM 504 N GLY A 36 1.506 4.991 -19.015 1.00 0.00 N ATOM 505 CA GLY A 36 1.258 5.860 -20.167 1.00 0.00 C ATOM 506 C GLY A 36 1.489 7.323 -19.822 1.00 0.00 C ATOM 507 O GLY A 36 2.010 7.633 -18.750 1.00 0.00 O ATOM 0 H GLY A 36 1.566 5.489 -18.127 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.913 5.571 -20.989 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.233 5.724 -20.513 1.00 0.00 H new ATOM 511 N TRP A 37 1.134 8.223 -20.748 1.00 0.00 N ATOM 512 CA TRP A 37 1.125 9.680 -20.511 1.00 0.00 C ATOM 513 C TRP A 37 -0.197 10.246 -21.029 1.00 0.00 C ATOM 514 O TRP A 37 -0.645 9.890 -22.125 1.00 0.00 O ATOM 515 CB TRP A 37 2.324 10.404 -21.199 1.00 0.00 C ATOM 516 CG TRP A 37 3.673 10.138 -20.558 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.526 9.101 -20.817 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.313 10.930 -19.536 1.00 0.00 C ATOM 519 NE1 TRP A 37 5.650 9.209 -20.041 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.540 10.313 -19.239 1.00 0.00 C ATOM 521 CE3 TRP A 37 3.964 12.101 -18.846 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.425 10.824 -18.286 1.00 0.00 C ATOM 523 CZ3 TRP A 37 4.842 12.608 -17.900 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.062 11.969 -17.628 1.00 0.00 C ATOM 0 H TRP A 37 0.842 7.963 -21.690 1.00 0.00 H new ATOM 0 HA TRP A 37 1.228 9.854 -19.440 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.366 10.097 -22.244 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.137 11.478 -21.190 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.341 8.311 -21.530 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.443 8.568 -20.058 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.027 12.599 -19.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.363 10.333 -18.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.583 13.509 -17.364 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.726 12.388 -16.887 1.00 0.00 H new ATOM 535 N PHE A 38 -0.831 11.088 -20.206 1.00 0.00 N ATOM 536 CA PHE A 38 -2.062 11.817 -20.550 1.00 0.00 C ATOM 537 C PHE A 38 -1.798 13.324 -20.410 1.00 0.00 C ATOM 538 O PHE A 38 -0.907 13.738 -19.662 1.00 0.00 O ATOM 539 CB PHE A 38 -3.249 11.391 -19.633 1.00 0.00 C ATOM 540 CG PHE A 38 -3.783 9.973 -19.854 1.00 0.00 C ATOM 541 CD1 PHE A 38 -5.048 9.762 -20.404 1.00 0.00 C ATOM 542 CD2 PHE A 38 -3.035 8.855 -19.501 1.00 0.00 C ATOM 543 CE1 PHE A 38 -5.541 8.488 -20.594 1.00 0.00 C ATOM 544 CE2 PHE A 38 -3.528 7.579 -19.693 1.00 0.00 C ATOM 545 CZ PHE A 38 -4.780 7.396 -20.238 1.00 0.00 C ATOM 0 H PHE A 38 -0.498 11.288 -19.263 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.340 11.578 -21.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.932 11.482 -18.594 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.068 12.095 -19.780 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.652 10.612 -20.686 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.053 8.986 -19.070 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.523 8.346 -21.021 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.931 6.723 -19.415 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.165 6.398 -20.386 1.00 0.00 H new ATOM 555 N ARG A 39 -2.572 14.142 -21.136 1.00 0.00 N ATOM 556 CA ARG A 39 -2.478 15.613 -21.053 1.00 0.00 C ATOM 557 C ARG A 39 -3.835 16.214 -20.687 1.00 0.00 C ATOM 558 O ARG A 39 -4.874 15.807 -21.207 1.00 0.00 O ATOM 559 CB ARG A 39 -1.956 16.232 -22.379 1.00 0.00 C ATOM 560 CG ARG A 39 -2.871 16.033 -23.604 1.00 0.00 C ATOM 561 CD ARG A 39 -2.317 16.696 -24.871 1.00 0.00 C ATOM 562 NE ARG A 39 -3.209 16.476 -26.023 1.00 0.00 N ATOM 563 CZ ARG A 39 -3.593 17.413 -26.901 1.00 0.00 C ATOM 564 NH1 ARG A 39 -3.165 18.671 -26.798 1.00 0.00 N ATOM 565 NH2 ARG A 39 -4.413 17.081 -27.884 1.00 0.00 N ATOM 0 H ARG A 39 -3.277 13.810 -21.794 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.759 15.852 -20.270 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.807 17.301 -22.228 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.979 15.802 -22.602 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.002 14.966 -23.785 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.857 16.443 -23.386 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.196 17.766 -24.701 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.328 16.294 -25.092 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.564 15.530 -26.164 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.534 18.935 -26.041 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.468 19.370 -27.476 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.746 16.121 -27.968 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.712 17.785 -28.558 1.00 0.00 H new ATOM 579 N GLN A 40 -3.792 17.174 -19.772 1.00 0.00 N ATOM 580 CA GLN A 40 -4.933 18.003 -19.372 1.00 0.00 C ATOM 581 C GLN A 40 -4.744 19.404 -19.973 1.00 0.00 C ATOM 582 O GLN A 40 -3.609 19.823 -20.248 1.00 0.00 O ATOM 583 CB GLN A 40 -5.018 18.060 -17.815 1.00 0.00 C ATOM 584 CG GLN A 40 -5.468 16.742 -17.130 1.00 0.00 C ATOM 585 CD GLN A 40 -6.988 16.534 -17.126 1.00 0.00 C ATOM 586 OE1 GLN A 40 -7.703 17.032 -17.988 1.00 0.00 O ATOM 587 NE2 GLN A 40 -7.492 15.767 -16.167 1.00 0.00 N ATOM 0 H GLN A 40 -2.936 17.408 -19.269 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.868 17.580 -19.740 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.040 18.339 -17.423 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.712 18.852 -17.534 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.997 15.900 -17.638 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.107 16.736 -16.101 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.877 15.364 -15.460 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.494 15.581 -16.137 1.00 0.00 H new ATOM 596 N ALA A 41 -5.850 20.118 -20.177 1.00 0.00 N ATOM 597 CA ALA A 41 -5.850 21.474 -20.759 1.00 0.00 C ATOM 598 C ALA A 41 -6.916 22.335 -20.044 1.00 0.00 C ATOM 599 O ALA A 41 -7.845 21.768 -19.462 1.00 0.00 O ATOM 600 CB ALA A 41 -6.092 21.392 -22.282 1.00 0.00 C ATOM 0 H ALA A 41 -6.782 19.776 -19.944 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.880 21.949 -20.611 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.091 22.396 -22.705 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.301 20.802 -22.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.056 20.919 -22.472 1.00 0.00 H new ATOM 606 N PRO A 42 -6.766 23.708 -20.020 1.00 0.00 N ATOM 607 CA PRO A 42 -7.756 24.631 -19.393 1.00 0.00 C ATOM 608 C PRO A 42 -9.229 24.355 -19.803 1.00 0.00 C ATOM 609 O PRO A 42 -9.642 24.655 -20.927 1.00 0.00 O ATOM 610 CB PRO A 42 -7.284 26.027 -19.869 1.00 0.00 C ATOM 611 CG PRO A 42 -5.803 25.871 -20.018 1.00 0.00 C ATOM 612 CD PRO A 42 -5.594 24.468 -20.554 1.00 0.00 C ATOM 0 HA PRO A 42 -7.778 24.516 -18.309 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.754 26.308 -20.812 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.534 26.802 -19.145 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.397 26.617 -20.702 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.296 26.005 -19.062 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.571 24.455 -21.644 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.651 24.044 -20.210 1.00 0.00 H new ATOM 620 N GLY A 43 -9.987 23.740 -18.875 1.00 0.00 N ATOM 621 CA GLY A 43 -11.404 23.415 -19.079 1.00 0.00 C ATOM 622 C GLY A 43 -11.648 22.212 -19.987 1.00 0.00 C ATOM 623 O GLY A 43 -12.757 22.040 -20.506 1.00 0.00 O ATOM 0 H GLY A 43 -9.630 23.456 -17.963 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.864 23.223 -18.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.907 24.284 -19.504 1.00 0.00 H new ATOM 627 N LYS A 44 -10.620 21.358 -20.146 1.00 0.00 N ATOM 628 CA LYS A 44 -10.651 20.187 -21.049 1.00 0.00 C ATOM 629 C LYS A 44 -10.188 18.929 -20.292 1.00 0.00 C ATOM 630 O LYS A 44 -9.300 19.009 -19.441 1.00 0.00 O ATOM 631 CB LYS A 44 -9.738 20.427 -22.285 1.00 0.00 C ATOM 632 CG LYS A 44 -10.128 21.608 -23.230 1.00 0.00 C ATOM 633 CD LYS A 44 -11.256 21.274 -24.257 1.00 0.00 C ATOM 634 CE LYS A 44 -12.670 21.177 -23.655 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.685 20.785 -24.665 1.00 0.00 N ATOM 0 H LYS A 44 -9.736 21.460 -19.648 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.674 20.042 -21.395 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.722 20.598 -21.929 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.719 19.511 -22.876 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.448 22.453 -22.621 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.240 21.927 -23.776 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.259 22.039 -25.034 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.017 20.328 -24.742 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.668 20.449 -22.843 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.945 22.138 -23.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.621 20.732 -24.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.707 21.492 -25.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.439 19.856 -25.062 1.00 0.00 H new ATOM 649 N GLU A 45 -10.790 17.777 -20.637 1.00 0.00 N ATOM 650 CA GLU A 45 -10.510 16.467 -20.007 1.00 0.00 C ATOM 651 C GLU A 45 -9.151 15.890 -20.460 1.00 0.00 C ATOM 652 O GLU A 45 -8.532 16.409 -21.400 1.00 0.00 O ATOM 653 CB GLU A 45 -11.659 15.496 -20.360 1.00 0.00 C ATOM 654 CG GLU A 45 -13.041 15.924 -19.818 1.00 0.00 C ATOM 655 CD GLU A 45 -14.201 15.060 -20.345 1.00 0.00 C ATOM 656 OE1 GLU A 45 -14.492 13.995 -19.744 1.00 0.00 O ATOM 657 OE2 GLU A 45 -14.835 15.448 -21.352 1.00 0.00 O ATOM 0 H GLU A 45 -11.496 17.725 -21.372 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.450 16.600 -18.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.720 15.402 -21.444 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.418 14.508 -19.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.027 15.874 -18.729 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.222 16.965 -20.087 1.00 0.00 H new ATOM 664 N ARG A 46 -8.685 14.815 -19.775 1.00 0.00 N ATOM 665 CA ARG A 46 -7.377 14.198 -20.087 1.00 0.00 C ATOM 666 C ARG A 46 -7.458 13.407 -21.402 1.00 0.00 C ATOM 667 O ARG A 46 -8.490 12.807 -21.710 1.00 0.00 O ATOM 668 CB ARG A 46 -6.819 13.307 -18.922 1.00 0.00 C ATOM 669 CG ARG A 46 -7.426 11.884 -18.727 1.00 0.00 C ATOM 670 CD ARG A 46 -8.861 11.856 -18.150 1.00 0.00 C ATOM 671 NE ARG A 46 -9.916 12.122 -19.154 1.00 0.00 N ATOM 672 CZ ARG A 46 -11.236 12.106 -18.906 1.00 0.00 C ATOM 673 NH1 ARG A 46 -11.697 11.930 -17.677 1.00 0.00 N ATOM 674 NH2 ARG A 46 -12.091 12.270 -19.900 1.00 0.00 N ATOM 0 H ARG A 46 -9.191 14.364 -19.013 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.664 15.014 -20.207 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.746 13.193 -19.075 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.952 13.856 -17.990 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.428 11.372 -19.689 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.774 11.315 -18.064 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.041 10.881 -17.697 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.936 12.596 -17.353 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.618 12.333 -20.106 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.047 11.804 -16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.703 11.921 -17.506 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.748 12.408 -20.851 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.094 12.259 -19.717 1.00 0.00 H new ATOM 688 N GLU A 47 -6.380 13.447 -22.185 1.00 0.00 N ATOM 689 CA GLU A 47 -6.293 12.738 -23.472 1.00 0.00 C ATOM 690 C GLU A 47 -5.160 11.709 -23.419 1.00 0.00 C ATOM 691 O GLU A 47 -4.095 11.997 -22.883 1.00 0.00 O ATOM 692 CB GLU A 47 -6.038 13.744 -24.627 1.00 0.00 C ATOM 693 CG GLU A 47 -6.011 13.097 -26.030 1.00 0.00 C ATOM 694 CD GLU A 47 -5.553 14.062 -27.129 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.388 14.836 -27.648 1.00 0.00 O ATOM 696 OE2 GLU A 47 -4.348 14.073 -27.462 1.00 0.00 O ATOM 0 H GLU A 47 -5.538 13.972 -21.949 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.238 12.226 -23.657 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.814 14.509 -24.606 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.088 14.248 -24.452 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.346 12.234 -26.013 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.007 12.727 -26.272 1.00 0.00 H new ATOM 703 N PHE A 48 -5.413 10.525 -23.989 1.00 0.00 N ATOM 704 CA PHE A 48 -4.433 9.434 -24.101 1.00 0.00 C ATOM 705 C PHE A 48 -3.368 9.802 -25.149 1.00 0.00 C ATOM 706 O PHE A 48 -3.664 9.866 -26.345 1.00 0.00 O ATOM 707 CB PHE A 48 -5.189 8.131 -24.480 1.00 0.00 C ATOM 708 CG PHE A 48 -4.309 6.894 -24.649 1.00 0.00 C ATOM 709 CD1 PHE A 48 -3.824 6.206 -23.540 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.970 6.417 -25.918 1.00 0.00 C ATOM 711 CE1 PHE A 48 -3.036 5.086 -23.690 1.00 0.00 C ATOM 712 CE2 PHE A 48 -3.181 5.298 -26.067 1.00 0.00 C ATOM 713 CZ PHE A 48 -2.715 4.634 -24.954 1.00 0.00 C ATOM 0 H PHE A 48 -6.320 10.292 -24.393 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.918 9.275 -23.153 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.934 7.925 -23.711 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.731 8.302 -25.410 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.069 6.555 -22.548 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.332 6.933 -26.795 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.670 4.562 -22.819 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.928 4.942 -27.055 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.096 3.757 -25.071 1.00 0.00 H new ATOM 723 N VAL A 49 -2.132 10.067 -24.687 1.00 0.00 N ATOM 724 CA VAL A 49 -1.037 10.558 -25.557 1.00 0.00 C ATOM 725 C VAL A 49 -0.003 9.437 -25.822 1.00 0.00 C ATOM 726 O VAL A 49 0.484 9.288 -26.951 1.00 0.00 O ATOM 727 CB VAL A 49 -0.319 11.824 -24.937 1.00 0.00 C ATOM 728 CG1 VAL A 49 0.549 12.562 -25.985 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.332 12.798 -24.299 1.00 0.00 C ATOM 0 H VAL A 49 -1.862 9.950 -23.711 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.486 10.857 -26.504 1.00 0.00 H new ATOM 0 HB VAL A 49 0.340 11.455 -24.151 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.025 13.425 -25.520 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.315 11.886 -26.364 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.081 12.895 -26.810 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.801 13.655 -23.884 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.036 13.140 -25.058 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.876 12.288 -23.504 1.00 0.00 H new ATOM 739 N ALA A 50 0.314 8.640 -24.775 1.00 0.00 N ATOM 740 CA ALA A 50 1.368 7.600 -24.840 1.00 0.00 C ATOM 741 C ALA A 50 0.950 6.315 -24.114 1.00 0.00 C ATOM 742 O ALA A 50 0.073 6.342 -23.250 1.00 0.00 O ATOM 743 CB ALA A 50 2.676 8.131 -24.236 1.00 0.00 C ATOM 0 H ALA A 50 -0.149 8.698 -23.868 1.00 0.00 H new ATOM 0 HA ALA A 50 1.520 7.358 -25.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.442 7.357 -24.290 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.005 9.007 -24.794 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.511 8.406 -23.194 1.00 0.00 H new ATOM 749 N ALA A 51 1.634 5.203 -24.461 1.00 0.00 N ATOM 750 CA ALA A 51 1.438 3.879 -23.842 1.00 0.00 C ATOM 751 C ALA A 51 2.783 3.145 -23.720 1.00 0.00 C ATOM 752 O ALA A 51 3.516 2.972 -24.707 1.00 0.00 O ATOM 753 CB ALA A 51 0.444 3.024 -24.643 1.00 0.00 C ATOM 0 H ALA A 51 2.348 5.203 -25.190 1.00 0.00 H new ATOM 0 HA ALA A 51 1.021 4.036 -22.847 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.324 2.055 -24.158 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.520 3.531 -24.685 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.822 2.879 -25.655 1.00 0.00 H new ATOM 759 N ILE A 52 3.088 2.732 -22.493 1.00 0.00 N ATOM 760 CA ILE A 52 4.253 1.924 -22.143 1.00 0.00 C ATOM 761 C ILE A 52 3.755 0.612 -21.526 1.00 0.00 C ATOM 762 O ILE A 52 3.046 0.620 -20.525 1.00 0.00 O ATOM 763 CB ILE A 52 5.192 2.696 -21.139 1.00 0.00 C ATOM 764 CG1 ILE A 52 5.780 3.980 -21.819 1.00 0.00 C ATOM 765 CG2 ILE A 52 6.311 1.781 -20.588 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.660 4.845 -20.926 1.00 0.00 C ATOM 0 H ILE A 52 2.509 2.959 -21.685 1.00 0.00 H new ATOM 0 HA ILE A 52 4.842 1.715 -23.036 1.00 0.00 H new ATOM 0 HB ILE A 52 4.591 3.009 -20.285 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.362 3.676 -22.689 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.953 4.588 -22.185 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.938 2.347 -19.900 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.865 0.937 -20.062 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.920 1.413 -21.414 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.016 5.707 -21.491 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.082 5.187 -20.067 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.513 4.261 -20.580 1.00 0.00 H new ATOM 778 N ARG A 53 4.130 -0.504 -22.143 1.00 0.00 N ATOM 779 CA ARG A 53 3.707 -1.852 -21.718 1.00 0.00 C ATOM 780 C ARG A 53 4.897 -2.633 -21.133 1.00 0.00 C ATOM 781 O ARG A 53 6.019 -2.115 -21.050 1.00 0.00 O ATOM 782 CB ARG A 53 3.082 -2.624 -22.915 1.00 0.00 C ATOM 783 CG ARG A 53 3.925 -2.577 -24.210 1.00 0.00 C ATOM 784 CD ARG A 53 3.649 -3.742 -25.163 1.00 0.00 C ATOM 785 NE ARG A 53 4.119 -5.019 -24.595 1.00 0.00 N ATOM 786 CZ ARG A 53 3.970 -6.219 -25.167 1.00 0.00 C ATOM 787 NH1 ARG A 53 3.394 -6.343 -26.357 1.00 0.00 N ATOM 788 NH2 ARG A 53 4.419 -7.296 -24.548 1.00 0.00 N ATOM 0 H ARG A 53 4.741 -0.508 -22.960 1.00 0.00 H new ATOM 0 HA ARG A 53 2.951 -1.748 -20.940 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.939 -3.665 -22.626 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.095 -2.212 -23.123 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.727 -1.639 -24.729 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.982 -2.577 -23.946 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.580 -3.803 -25.367 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.145 -3.561 -26.116 1.00 0.00 H new ATOM 0 HE ARG A 53 4.596 -4.985 -23.694 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.057 -5.516 -26.849 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.288 -7.266 -26.779 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.876 -7.209 -23.640 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.309 -8.214 -24.978 1.00 0.00 H new ATOM 851 N SER A 58 7.285 -0.071 -25.412 1.00 0.00 N ATOM 852 CA SER A 58 7.298 1.098 -24.513 1.00 0.00 C ATOM 853 C SER A 58 7.100 2.384 -25.344 1.00 0.00 C ATOM 854 O SER A 58 7.752 3.402 -25.094 1.00 0.00 O ATOM 855 CB SER A 58 8.648 1.125 -23.719 1.00 0.00 C ATOM 856 OG SER A 58 8.714 2.201 -22.786 1.00 0.00 O ATOM 0 HA SER A 58 6.483 1.033 -23.792 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.772 0.181 -23.189 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.477 1.207 -24.422 1.00 0.00 H new ATOM 0 HG SER A 58 8.535 3.046 -23.248 1.00 0.00 H new ATOM 862 N THR A 59 6.156 2.357 -26.320 1.00 0.00 N ATOM 863 CA THR A 59 6.019 3.422 -27.336 1.00 0.00 C ATOM 864 C THR A 59 4.575 3.506 -27.840 1.00 0.00 C ATOM 865 O THR A 59 3.977 2.481 -28.194 1.00 0.00 O ATOM 866 CB THR A 59 6.966 3.206 -28.579 1.00 0.00 C ATOM 867 OG1 THR A 59 6.858 1.849 -29.030 1.00 0.00 O ATOM 868 CG2 THR A 59 8.444 3.549 -28.286 1.00 0.00 C ATOM 0 H THR A 59 5.477 1.603 -26.421 1.00 0.00 H new ATOM 0 HA THR A 59 6.307 4.349 -26.840 1.00 0.00 H new ATOM 0 HB THR A 59 6.637 3.895 -29.357 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.445 1.714 -29.803 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.041 3.379 -29.182 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.523 4.595 -27.990 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.811 2.915 -27.479 1.00 0.00 H new ATOM 876 N TYR A 60 4.037 4.732 -27.868 1.00 0.00 N ATOM 877 CA TYR A 60 2.780 5.043 -28.535 1.00 0.00 C ATOM 878 C TYR A 60 2.726 6.555 -28.780 1.00 0.00 C ATOM 879 O TYR A 60 3.019 7.341 -27.872 1.00 0.00 O ATOM 880 CB TYR A 60 1.560 4.573 -27.706 1.00 0.00 C ATOM 881 CG TYR A 60 0.312 4.331 -28.553 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.071 3.070 -29.103 1.00 0.00 C ATOM 883 CD2 TYR A 60 -0.598 5.354 -28.829 1.00 0.00 C ATOM 884 CE1 TYR A 60 -1.037 2.841 -29.900 1.00 0.00 C ATOM 885 CE2 TYR A 60 -1.707 5.128 -29.619 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.922 3.874 -30.155 1.00 0.00 C ATOM 887 OH TYR A 60 -3.024 3.650 -30.957 1.00 0.00 O ATOM 0 H TYR A 60 4.472 5.540 -27.422 1.00 0.00 H new ATOM 0 HA TYR A 60 2.735 4.509 -29.484 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.819 3.653 -27.181 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.336 5.321 -26.946 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.759 2.262 -28.903 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.431 6.338 -28.417 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.210 1.861 -30.321 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.404 5.929 -29.817 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.545 4.476 -31.036 1.00 0.00 H new ATOM 897 N TYR A 61 2.360 6.934 -30.008 1.00 0.00 N ATOM 898 CA TYR A 61 2.306 8.332 -30.459 1.00 0.00 C ATOM 899 C TYR A 61 1.396 8.456 -31.686 1.00 0.00 C ATOM 900 O TYR A 61 1.141 7.471 -32.391 1.00 0.00 O ATOM 901 CB TYR A 61 3.739 8.874 -30.784 1.00 0.00 C ATOM 902 CG TYR A 61 4.620 7.951 -31.644 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.524 7.063 -31.050 1.00 0.00 C ATOM 904 CD2 TYR A 61 4.563 7.976 -33.041 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.329 6.240 -31.810 1.00 0.00 C ATOM 906 CE2 TYR A 61 5.365 7.153 -33.805 1.00 0.00 C ATOM 907 CZ TYR A 61 6.247 6.289 -33.188 1.00 0.00 C ATOM 908 OH TYR A 61 7.055 5.471 -33.949 1.00 0.00 O ATOM 0 H TYR A 61 2.088 6.268 -30.731 1.00 0.00 H new ATOM 0 HA TYR A 61 1.893 8.936 -29.651 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.638 9.831 -31.296 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.256 9.068 -29.844 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.593 7.021 -29.973 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.878 8.652 -33.531 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.019 5.562 -31.331 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.303 7.185 -34.883 1.00 0.00 H new ATOM 0 HH TYR A 61 6.875 5.626 -34.900 1.00 0.00 H new ATOM 918 N ALA A 62 0.896 9.676 -31.914 1.00 0.00 N ATOM 919 CA ALA A 62 0.209 10.037 -33.161 1.00 0.00 C ATOM 920 C ALA A 62 1.248 10.273 -34.269 1.00 0.00 C ATOM 921 O ALA A 62 2.409 10.588 -33.974 1.00 0.00 O ATOM 922 CB ALA A 62 -0.650 11.291 -32.947 1.00 0.00 C ATOM 0 H ALA A 62 0.956 10.440 -31.241 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.448 9.221 -33.462 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.155 11.550 -33.878 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.393 11.096 -32.174 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.013 12.120 -32.637 1.00 0.00 H new ATOM 928 N ASP A 63 0.833 10.143 -35.539 1.00 0.00 N ATOM 929 CA ASP A 63 1.735 10.381 -36.686 1.00 0.00 C ATOM 930 C ASP A 63 2.053 11.889 -36.818 1.00 0.00 C ATOM 931 O ASP A 63 3.069 12.271 -37.410 1.00 0.00 O ATOM 932 CB ASP A 63 1.144 9.814 -37.996 1.00 0.00 C ATOM 933 CG ASP A 63 2.085 9.982 -39.208 1.00 0.00 C ATOM 934 OD1 ASP A 63 3.163 9.339 -39.228 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.762 10.761 -40.136 1.00 0.00 O ATOM 0 H ASP A 63 -0.116 9.876 -35.801 1.00 0.00 H new ATOM 0 HA ASP A 63 2.669 9.851 -36.499 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.923 8.755 -37.859 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.198 10.313 -38.206 1.00 0.00 H new ATOM 940 N SER A 64 1.186 12.735 -36.227 1.00 0.00 N ATOM 941 CA SER A 64 1.410 14.185 -36.121 1.00 0.00 C ATOM 942 C SER A 64 2.679 14.492 -35.294 1.00 0.00 C ATOM 943 O SER A 64 3.437 15.416 -35.611 1.00 0.00 O ATOM 944 CB SER A 64 0.170 14.844 -35.485 1.00 0.00 C ATOM 945 OG SER A 64 -1.004 14.513 -36.212 1.00 0.00 O ATOM 0 H SER A 64 0.308 12.427 -35.809 1.00 0.00 H new ATOM 0 HA SER A 64 1.565 14.595 -37.119 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.068 14.515 -34.451 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.298 15.926 -35.464 1.00 0.00 H new ATOM 0 HG SER A 64 -1.780 14.939 -35.792 1.00 0.00 H new ATOM 951 N VAL A 65 2.914 13.677 -34.251 1.00 0.00 N ATOM 952 CA VAL A 65 4.090 13.811 -33.361 1.00 0.00 C ATOM 953 C VAL A 65 5.101 12.663 -33.585 1.00 0.00 C ATOM 954 O VAL A 65 6.001 12.468 -32.770 1.00 0.00 O ATOM 955 CB VAL A 65 3.663 13.877 -31.844 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.908 15.187 -31.531 1.00 0.00 C ATOM 957 CG2 VAL A 65 2.822 12.644 -31.437 1.00 0.00 C ATOM 0 H VAL A 65 2.297 12.906 -33.998 1.00 0.00 H new ATOM 0 HA VAL A 65 4.578 14.751 -33.618 1.00 0.00 H new ATOM 0 HB VAL A 65 4.576 13.866 -31.249 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.627 15.202 -30.478 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.553 16.039 -31.747 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.010 15.246 -32.147 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.545 12.723 -30.386 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.920 12.601 -32.047 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.407 11.737 -31.591 1.00 0.00 H new ATOM 967 N LYS A 66 4.958 11.931 -34.705 1.00 0.00 N ATOM 968 CA LYS A 66 5.895 10.854 -35.095 1.00 0.00 C ATOM 969 C LYS A 66 7.310 11.433 -35.276 1.00 0.00 C ATOM 970 O LYS A 66 7.491 12.405 -36.016 1.00 0.00 O ATOM 971 CB LYS A 66 5.377 10.157 -36.396 1.00 0.00 C ATOM 972 CG LYS A 66 6.221 8.976 -36.972 1.00 0.00 C ATOM 973 CD LYS A 66 7.406 9.414 -37.871 1.00 0.00 C ATOM 974 CE LYS A 66 6.973 10.252 -39.091 1.00 0.00 C ATOM 975 NZ LYS A 66 6.093 9.493 -40.023 1.00 0.00 N ATOM 0 H LYS A 66 4.193 12.067 -35.366 1.00 0.00 H new ATOM 0 HA LYS A 66 5.947 10.100 -34.310 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.371 9.786 -36.200 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.291 10.917 -37.172 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.609 8.385 -36.143 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.565 8.324 -37.549 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.111 9.993 -37.274 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.936 8.527 -38.218 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.449 11.144 -38.747 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.859 10.590 -39.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.144 9.917 -40.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.408 8.503 -40.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.112 9.528 -39.680 1.00 0.00 H new ATOM 989 N GLY A 67 8.285 10.852 -34.554 1.00 0.00 N ATOM 990 CA GLY A 67 9.702 11.266 -34.633 1.00 0.00 C ATOM 991 C GLY A 67 10.049 12.364 -33.631 1.00 0.00 C ATOM 992 O GLY A 67 11.198 12.475 -33.185 1.00 0.00 O ATOM 0 H GLY A 67 8.117 10.086 -33.902 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.340 10.401 -34.454 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.918 11.618 -35.642 1.00 0.00 H new ATOM 996 N ARG A 68 9.041 13.180 -33.287 1.00 0.00 N ATOM 997 CA ARG A 68 9.136 14.188 -32.224 1.00 0.00 C ATOM 998 C ARG A 68 9.045 13.496 -30.859 1.00 0.00 C ATOM 999 O ARG A 68 9.832 13.741 -29.950 1.00 0.00 O ATOM 1000 CB ARG A 68 7.966 15.202 -32.342 1.00 0.00 C ATOM 1001 CG ARG A 68 7.918 16.015 -33.649 1.00 0.00 C ATOM 1002 CD ARG A 68 6.705 16.968 -33.699 1.00 0.00 C ATOM 1003 NE ARG A 68 6.632 17.839 -32.507 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.511 18.353 -31.976 1.00 0.00 C ATOM 1005 NH1 ARG A 68 4.328 18.173 -32.554 1.00 0.00 N ATOM 1006 NH2 ARG A 68 5.590 19.057 -30.859 1.00 0.00 N ATOM 0 H ARG A 68 8.129 13.157 -33.744 1.00 0.00 H new ATOM 0 HA ARG A 68 10.086 14.713 -32.322 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.027 14.659 -32.239 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.026 15.897 -31.505 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.837 16.593 -33.749 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.877 15.333 -34.498 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.766 17.585 -34.595 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.788 16.383 -33.777 1.00 0.00 H new ATOM 0 HE ARG A 68 7.512 18.070 -32.046 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.259 17.635 -33.418 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.489 18.572 -32.133 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.495 19.204 -30.412 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.746 19.453 -30.445 1.00 0.00 H new ATOM 1020 N PHE A 69 8.068 12.598 -30.771 1.00 0.00 N ATOM 1021 CA PHE A 69 7.588 12.020 -29.519 1.00 0.00 C ATOM 1022 C PHE A 69 8.359 10.728 -29.207 1.00 0.00 C ATOM 1023 O PHE A 69 8.471 9.844 -30.059 1.00 0.00 O ATOM 1024 CB PHE A 69 6.075 11.750 -29.681 1.00 0.00 C ATOM 1025 CG PHE A 69 5.297 11.560 -28.392 1.00 0.00 C ATOM 1026 CD1 PHE A 69 4.718 12.651 -27.751 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.111 10.297 -27.844 1.00 0.00 C ATOM 1028 CE1 PHE A 69 3.988 12.480 -26.600 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.383 10.131 -26.691 1.00 0.00 C ATOM 1030 CZ PHE A 69 3.816 11.217 -26.073 1.00 0.00 C ATOM 0 H PHE A 69 7.575 12.243 -31.590 1.00 0.00 H new ATOM 0 HA PHE A 69 7.751 12.701 -28.684 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.633 12.581 -30.231 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.948 10.858 -30.295 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.844 13.642 -28.162 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.544 9.435 -28.330 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.549 13.335 -26.108 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.257 9.144 -26.270 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.234 11.083 -25.173 1.00 0.00 H new ATOM 1040 N THR A 70 8.894 10.646 -27.987 1.00 0.00 N ATOM 1041 CA THR A 70 9.632 9.482 -27.483 1.00 0.00 C ATOM 1042 C THR A 70 9.259 9.271 -26.008 1.00 0.00 C ATOM 1043 O THR A 70 9.096 10.242 -25.269 1.00 0.00 O ATOM 1044 CB THR A 70 11.180 9.689 -27.637 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.495 10.003 -29.006 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.984 8.444 -27.215 1.00 0.00 C ATOM 0 H THR A 70 8.826 11.402 -27.306 1.00 0.00 H new ATOM 0 HA THR A 70 9.363 8.600 -28.064 1.00 0.00 H new ATOM 0 HB THR A 70 11.460 10.511 -26.978 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.462 10.133 -29.098 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.049 8.639 -27.340 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.778 8.215 -26.170 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.695 7.596 -27.836 1.00 0.00 H new ATOM 1054 N ILE A 71 9.079 8.004 -25.598 1.00 0.00 N ATOM 1055 CA ILE A 71 8.730 7.629 -24.211 1.00 0.00 C ATOM 1056 C ILE A 71 9.488 6.357 -23.830 1.00 0.00 C ATOM 1057 O ILE A 71 9.704 5.485 -24.675 1.00 0.00 O ATOM 1058 CB ILE A 71 7.169 7.415 -23.968 1.00 0.00 C ATOM 1059 CG1 ILE A 71 6.508 6.453 -25.016 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.421 8.759 -23.910 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.301 7.023 -26.414 1.00 0.00 C ATOM 0 H ILE A 71 9.172 7.203 -26.222 1.00 0.00 H new ATOM 0 HA ILE A 71 9.021 8.468 -23.579 1.00 0.00 H new ATOM 0 HB ILE A 71 7.080 6.926 -22.998 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.126 5.559 -25.098 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.540 6.136 -24.628 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.359 8.578 -23.743 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.819 9.362 -23.094 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.555 9.291 -24.852 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.838 6.268 -27.050 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.653 7.898 -26.358 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.264 7.311 -26.836 1.00 0.00 H new ATOM 1073 N SER A 72 9.906 6.273 -22.558 1.00 0.00 N ATOM 1074 CA SER A 72 10.665 5.128 -22.022 1.00 0.00 C ATOM 1075 C SER A 72 10.394 4.979 -20.521 1.00 0.00 C ATOM 1076 O SER A 72 10.275 5.982 -19.816 1.00 0.00 O ATOM 1077 CB SER A 72 12.187 5.323 -22.258 1.00 0.00 C ATOM 1078 OG SER A 72 12.487 5.493 -23.637 1.00 0.00 O ATOM 0 H SER A 72 9.727 7.001 -21.866 1.00 0.00 H new ATOM 0 HA SER A 72 10.341 4.226 -22.542 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.533 6.193 -21.700 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.729 4.460 -21.871 1.00 0.00 H new ATOM 0 HG SER A 72 13.453 5.615 -23.749 1.00 0.00 H new ATOM 1084 N ARG A 73 10.295 3.732 -20.035 1.00 0.00 N ATOM 1085 CA ARG A 73 10.236 3.443 -18.589 1.00 0.00 C ATOM 1086 C ARG A 73 11.537 2.763 -18.152 1.00 0.00 C ATOM 1087 O ARG A 73 11.946 1.765 -18.747 1.00 0.00 O ATOM 1088 CB ARG A 73 9.012 2.549 -18.232 1.00 0.00 C ATOM 1089 CG ARG A 73 9.052 1.954 -16.797 1.00 0.00 C ATOM 1090 CD ARG A 73 7.762 1.212 -16.383 1.00 0.00 C ATOM 1091 NE ARG A 73 7.911 0.458 -15.110 1.00 0.00 N ATOM 1092 CZ ARG A 73 8.274 0.965 -13.906 1.00 0.00 C ATOM 1093 NH1 ARG A 73 8.521 2.262 -13.725 1.00 0.00 N ATOM 1094 NH2 ARG A 73 8.382 0.146 -12.871 1.00 0.00 N ATOM 0 H ARG A 73 10.254 2.901 -20.625 1.00 0.00 H new ATOM 0 HA ARG A 73 10.117 4.386 -18.055 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.102 3.138 -18.343 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.952 1.731 -18.950 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.893 1.265 -16.725 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.238 2.760 -16.087 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.951 1.933 -16.279 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.475 0.522 -17.177 1.00 0.00 H new ATOM 0 HE ARG A 73 7.721 -0.543 -15.146 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.439 2.911 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.792 2.606 -12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.193 -0.850 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.654 0.511 -11.958 1.00 0.00 H new ATOM 1108 N ASP A 74 12.174 3.315 -17.112 1.00 0.00 N ATOM 1109 CA ASP A 74 13.359 2.721 -16.480 1.00 0.00 C ATOM 1110 C ASP A 74 12.945 2.051 -15.159 1.00 0.00 C ATOM 1111 O ASP A 74 12.223 2.654 -14.364 1.00 0.00 O ATOM 1112 CB ASP A 74 14.437 3.803 -16.230 1.00 0.00 C ATOM 1113 CG ASP A 74 15.776 3.195 -15.790 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.665 2.992 -16.646 1.00 0.00 O ATOM 1115 OD2 ASP A 74 15.934 2.901 -14.592 1.00 0.00 O ATOM 0 H ASP A 74 11.880 4.192 -16.682 1.00 0.00 H new ATOM 0 HA ASP A 74 13.786 1.969 -17.144 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.585 4.383 -17.141 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.085 4.495 -15.465 1.00 0.00 H new ATOM 1120 N ASN A 75 13.398 0.807 -14.945 1.00 0.00 N ATOM 1121 CA ASN A 75 13.086 0.012 -13.732 1.00 0.00 C ATOM 1122 C ASN A 75 14.105 0.246 -12.584 1.00 0.00 C ATOM 1123 O ASN A 75 13.765 0.080 -11.406 1.00 0.00 O ATOM 1124 CB ASN A 75 13.026 -1.499 -14.098 1.00 0.00 C ATOM 1125 CG ASN A 75 14.372 -2.097 -14.561 1.00 0.00 C ATOM 1126 OD1 ASN A 75 15.225 -1.406 -15.128 1.00 0.00 O ATOM 1127 ND2 ASN A 75 14.567 -3.390 -14.329 1.00 0.00 N ATOM 0 H ASN A 75 13.996 0.315 -15.609 1.00 0.00 H new ATOM 0 HA ASN A 75 12.116 0.346 -13.364 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.674 -2.057 -13.230 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.289 -1.640 -14.888 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.437 -3.835 -14.621 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.847 -3.938 -13.859 1.00 0.00 H new ATOM 1134 N ALA A 76 15.352 0.618 -12.951 1.00 0.00 N ATOM 1135 CA ALA A 76 16.496 0.699 -12.012 1.00 0.00 C ATOM 1136 C ALA A 76 16.294 1.795 -10.947 1.00 0.00 C ATOM 1137 O ALA A 76 16.617 1.581 -9.771 1.00 0.00 O ATOM 1138 CB ALA A 76 17.810 0.912 -12.783 1.00 0.00 C ATOM 0 H ALA A 76 15.595 0.871 -13.909 1.00 0.00 H new ATOM 0 HA ALA A 76 16.554 -0.251 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.640 0.969 -12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.971 0.078 -13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.752 1.840 -13.352 1.00 0.00 H new ATOM 1144 N LYS A 77 15.760 2.964 -11.354 1.00 0.00 N ATOM 1145 CA LYS A 77 15.373 4.030 -10.396 1.00 0.00 C ATOM 1146 C LYS A 77 13.858 4.294 -10.435 1.00 0.00 C ATOM 1147 O LYS A 77 13.372 5.182 -9.719 1.00 0.00 O ATOM 1148 CB LYS A 77 16.180 5.346 -10.611 1.00 0.00 C ATOM 1149 CG LYS A 77 16.111 5.978 -12.022 1.00 0.00 C ATOM 1150 CD LYS A 77 17.174 5.420 -12.997 1.00 0.00 C ATOM 1151 CE LYS A 77 17.171 6.164 -14.343 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.443 7.613 -14.181 1.00 0.00 N ATOM 0 H LYS A 77 15.586 3.197 -12.332 1.00 0.00 H new ATOM 0 HA LYS A 77 15.627 3.664 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.828 6.083 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.226 5.146 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.119 5.807 -12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.239 7.057 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.161 5.500 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 77 16.987 4.360 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.922 5.726 -15.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.205 6.029 -14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.583 8.154 -14.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.731 7.805 -13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.206 7.897 -14.828 1.00 0.00 H new ATOM 1166 N ASN A 78 13.127 3.469 -11.223 1.00 0.00 N ATOM 1167 CA ASN A 78 11.666 3.572 -11.424 1.00 0.00 C ATOM 1168 C ASN A 78 11.244 5.000 -11.788 1.00 0.00 C ATOM 1169 O ASN A 78 10.636 5.719 -10.989 1.00 0.00 O ATOM 1170 CB ASN A 78 10.859 3.013 -10.222 1.00 0.00 C ATOM 1171 CG ASN A 78 10.951 1.492 -10.119 1.00 0.00 C ATOM 1172 OD1 ASN A 78 10.200 0.778 -10.782 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.857 0.986 -9.291 1.00 0.00 N ATOM 0 H ASN A 78 13.547 2.700 -11.745 1.00 0.00 H new ATOM 0 HA ASN A 78 11.422 2.937 -12.276 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.229 3.460 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.814 3.306 -10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.947 -0.025 -9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.463 1.608 -8.757 1.00 0.00 H new ATOM 1180 N THR A 79 11.652 5.420 -12.983 1.00 0.00 N ATOM 1181 CA THR A 79 11.343 6.746 -13.516 1.00 0.00 C ATOM 1182 C THR A 79 10.925 6.612 -14.987 1.00 0.00 C ATOM 1183 O THR A 79 11.584 5.923 -15.774 1.00 0.00 O ATOM 1184 CB THR A 79 12.566 7.717 -13.373 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.007 7.752 -11.999 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.230 9.152 -13.823 1.00 0.00 C ATOM 0 H THR A 79 12.211 4.846 -13.614 1.00 0.00 H new ATOM 0 HA THR A 79 10.522 7.174 -12.942 1.00 0.00 H new ATOM 0 HB THR A 79 13.355 7.334 -14.021 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.772 8.359 -11.916 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.109 9.786 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.927 9.143 -14.870 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.416 9.543 -13.213 1.00 0.00 H new ATOM 1194 N VAL A 80 9.829 7.285 -15.337 1.00 0.00 N ATOM 1195 CA VAL A 80 9.263 7.295 -16.690 1.00 0.00 C ATOM 1196 C VAL A 80 9.694 8.598 -17.367 1.00 0.00 C ATOM 1197 O VAL A 80 9.863 9.607 -16.697 1.00 0.00 O ATOM 1198 CB VAL A 80 7.692 7.213 -16.633 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.074 7.031 -18.038 1.00 0.00 C ATOM 1200 CG2 VAL A 80 7.234 6.093 -15.677 1.00 0.00 C ATOM 0 H VAL A 80 9.297 7.851 -14.676 1.00 0.00 H new ATOM 0 HA VAL A 80 9.622 6.433 -17.252 1.00 0.00 H new ATOM 0 HB VAL A 80 7.330 8.164 -16.242 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.988 6.979 -17.954 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.349 7.876 -18.669 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.448 6.109 -18.483 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.145 6.056 -15.655 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.622 5.136 -16.025 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.611 6.294 -14.674 1.00 0.00 H new ATOM 1210 N TYR A 81 9.903 8.567 -18.680 1.00 0.00 N ATOM 1211 CA TYR A 81 10.417 9.718 -19.437 1.00 0.00 C ATOM 1212 C TYR A 81 9.496 10.030 -20.615 1.00 0.00 C ATOM 1213 O TYR A 81 8.957 9.121 -21.257 1.00 0.00 O ATOM 1214 CB TYR A 81 11.868 9.445 -19.921 1.00 0.00 C ATOM 1215 CG TYR A 81 12.875 9.294 -18.766 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.305 8.039 -18.322 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.366 10.420 -18.101 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.184 7.917 -17.259 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.250 10.304 -17.046 1.00 0.00 C ATOM 1220 CZ TYR A 81 14.654 9.055 -16.625 1.00 0.00 C ATOM 1221 OH TYR A 81 15.517 8.943 -15.556 1.00 0.00 O ATOM 0 H TYR A 81 9.722 7.744 -19.255 1.00 0.00 H new ATOM 0 HA TYR A 81 10.439 10.589 -18.782 1.00 0.00 H new ATOM 0 HB2 TYR A 81 11.878 8.537 -20.524 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.188 10.261 -20.569 1.00 0.00 H new ATOM 0 HD1 TYR A 81 12.945 7.149 -18.817 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.048 11.402 -18.418 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.501 6.940 -16.926 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.624 11.189 -16.552 1.00 0.00 H new ATOM 0 HH TYR A 81 15.750 9.837 -15.229 1.00 0.00 H new ATOM 1231 N LEU A 82 9.314 11.333 -20.860 1.00 0.00 N ATOM 1232 CA LEU A 82 8.553 11.861 -21.987 1.00 0.00 C ATOM 1233 C LEU A 82 9.445 12.866 -22.721 1.00 0.00 C ATOM 1234 O LEU A 82 9.551 14.024 -22.318 1.00 0.00 O ATOM 1235 CB LEU A 82 7.264 12.544 -21.455 1.00 0.00 C ATOM 1236 CG LEU A 82 6.351 13.244 -22.500 1.00 0.00 C ATOM 1237 CD1 LEU A 82 5.798 12.239 -23.509 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.216 14.036 -21.820 1.00 0.00 C ATOM 0 H LEU A 82 9.703 12.063 -20.263 1.00 0.00 H new ATOM 0 HA LEU A 82 8.257 11.068 -22.674 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.670 11.790 -20.938 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.556 13.285 -20.711 1.00 0.00 H new ATOM 0 HG LEU A 82 6.966 13.960 -23.045 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.163 12.757 -24.228 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.624 11.759 -24.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.212 11.483 -22.986 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.598 14.512 -22.581 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.603 13.357 -21.227 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.644 14.800 -21.170 1.00 0.00 H new ATOM 1250 N GLN A 83 10.109 12.407 -23.778 1.00 0.00 N ATOM 1251 CA GLN A 83 10.976 13.254 -24.598 1.00 0.00 C ATOM 1252 C GLN A 83 10.192 13.756 -25.818 1.00 0.00 C ATOM 1253 O GLN A 83 9.986 13.024 -26.787 1.00 0.00 O ATOM 1254 CB GLN A 83 12.247 12.472 -25.022 1.00 0.00 C ATOM 1255 CG GLN A 83 13.264 13.291 -25.844 1.00 0.00 C ATOM 1256 CD GLN A 83 13.756 14.549 -25.126 1.00 0.00 C ATOM 1257 OE1 GLN A 83 14.731 14.503 -24.377 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.096 15.683 -25.356 1.00 0.00 N ATOM 0 H GLN A 83 10.063 11.438 -24.092 1.00 0.00 H new ATOM 0 HA GLN A 83 11.301 14.118 -24.018 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.742 12.097 -24.126 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.944 11.603 -25.606 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.120 12.659 -26.082 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.807 13.578 -26.791 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.291 15.687 -25.983 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.395 16.548 -24.905 1.00 0.00 H new ATOM 1267 N MET A 84 9.729 15.007 -25.733 1.00 0.00 N ATOM 1268 CA MET A 84 8.998 15.678 -26.816 1.00 0.00 C ATOM 1269 C MET A 84 9.942 16.660 -27.523 1.00 0.00 C ATOM 1270 O MET A 84 10.384 17.641 -26.928 1.00 0.00 O ATOM 1271 CB MET A 84 7.756 16.418 -26.254 1.00 0.00 C ATOM 1272 CG MET A 84 6.747 15.532 -25.514 1.00 0.00 C ATOM 1273 SD MET A 84 5.257 16.437 -25.015 1.00 0.00 S ATOM 1274 CE MET A 84 5.919 17.765 -23.997 1.00 0.00 C ATOM 0 H MET A 84 9.851 15.589 -24.904 1.00 0.00 H new ATOM 0 HA MET A 84 8.647 14.936 -27.534 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.096 17.200 -25.575 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.244 16.913 -27.079 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.463 14.698 -26.155 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.222 15.107 -24.630 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.243 17.957 -23.164 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.896 17.475 -23.611 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.020 18.669 -24.598 1.00 0.00 H new ATOM 1284 N ASN A 85 10.265 16.361 -28.786 1.00 0.00 N ATOM 1285 CA ASN A 85 11.179 17.171 -29.624 1.00 0.00 C ATOM 1286 C ASN A 85 10.376 18.013 -30.623 1.00 0.00 C ATOM 1287 O ASN A 85 9.172 17.764 -30.815 1.00 0.00 O ATOM 1288 CB ASN A 85 12.169 16.249 -30.388 1.00 0.00 C ATOM 1289 CG ASN A 85 13.077 15.435 -29.459 1.00 0.00 C ATOM 1290 OD1 ASN A 85 14.155 15.884 -29.082 1.00 0.00 O ATOM 1291 ND2 ASN A 85 12.649 14.236 -29.086 1.00 0.00 N ATOM 0 H ASN A 85 9.898 15.540 -29.268 1.00 0.00 H new ATOM 0 HA ASN A 85 11.746 17.837 -28.974 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.604 15.566 -31.022 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.787 16.858 -31.047 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.221 13.660 -28.469 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.748 13.891 -29.416 1.00 0.00 H new ATOM 1298 N SER A 86 11.054 19.015 -31.237 1.00 0.00 N ATOM 1299 CA SER A 86 10.510 19.816 -32.364 1.00 0.00 C ATOM 1300 C SER A 86 9.141 20.443 -32.002 1.00 0.00 C ATOM 1301 O SER A 86 8.187 20.417 -32.789 1.00 0.00 O ATOM 1302 CB SER A 86 10.429 18.925 -33.635 1.00 0.00 C ATOM 1303 OG SER A 86 11.648 18.229 -33.857 1.00 0.00 O ATOM 0 H SER A 86 11.997 19.292 -30.964 1.00 0.00 H new ATOM 0 HA SER A 86 11.182 20.650 -32.570 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.614 18.210 -33.529 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.199 19.544 -34.502 1.00 0.00 H new ATOM 0 HG SER A 86 11.567 17.676 -34.662 1.00 0.00 H new ATOM 1309 N LEU A 87 9.091 21.006 -30.786 1.00 0.00 N ATOM 1310 CA LEU A 87 7.850 21.439 -30.125 1.00 0.00 C ATOM 1311 C LEU A 87 7.119 22.566 -30.864 1.00 0.00 C ATOM 1312 O LEU A 87 7.731 23.420 -31.497 1.00 0.00 O ATOM 1313 CB LEU A 87 8.155 21.845 -28.668 1.00 0.00 C ATOM 1314 CG LEU A 87 8.492 20.655 -27.723 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.988 21.134 -26.354 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.274 19.718 -27.576 1.00 0.00 C ATOM 0 H LEU A 87 9.925 21.176 -30.224 1.00 0.00 H new ATOM 0 HA LEU A 87 7.168 20.589 -30.141 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.993 22.542 -28.666 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.295 22.380 -28.266 1.00 0.00 H new ATOM 0 HG LEU A 87 9.307 20.093 -28.179 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.212 20.272 -25.726 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.890 21.733 -26.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.216 21.739 -25.878 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.528 18.892 -26.912 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.435 20.275 -27.158 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.997 19.325 -28.554 1.00 0.00 H new ATOM 1328 N LYS A 88 5.792 22.511 -30.777 1.00 0.00 N ATOM 1329 CA LYS A 88 4.874 23.514 -31.321 1.00 0.00 C ATOM 1330 C LYS A 88 4.493 24.497 -30.192 1.00 0.00 C ATOM 1331 O LYS A 88 4.325 24.051 -29.060 1.00 0.00 O ATOM 1332 CB LYS A 88 3.613 22.779 -31.855 1.00 0.00 C ATOM 1333 CG LYS A 88 3.861 21.776 -33.011 1.00 0.00 C ATOM 1334 CD LYS A 88 4.088 22.464 -34.381 1.00 0.00 C ATOM 1335 CE LYS A 88 2.835 23.206 -34.875 1.00 0.00 C ATOM 1336 NZ LYS A 88 3.022 23.830 -36.203 1.00 0.00 N ATOM 0 H LYS A 88 5.309 21.743 -30.311 1.00 0.00 H new ATOM 0 HA LYS A 88 5.336 24.073 -32.135 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.149 22.244 -31.027 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.895 23.526 -32.194 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.730 21.164 -32.771 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.008 21.102 -33.088 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.916 23.168 -34.299 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.378 21.715 -35.118 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.000 22.507 -34.922 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.566 23.976 -34.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.146 24.315 -36.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.800 24.519 -36.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.251 23.095 -36.903 1.00 0.00 H new ATOM 1350 N PRO A 89 4.358 25.841 -30.464 1.00 0.00 N ATOM 1351 CA PRO A 89 3.941 26.828 -29.426 1.00 0.00 C ATOM 1352 C PRO A 89 2.566 26.498 -28.785 1.00 0.00 C ATOM 1353 O PRO A 89 2.283 26.884 -27.643 1.00 0.00 O ATOM 1354 CB PRO A 89 3.908 28.182 -30.183 1.00 0.00 C ATOM 1355 CG PRO A 89 4.746 27.973 -31.405 1.00 0.00 C ATOM 1356 CD PRO A 89 4.637 26.504 -31.763 1.00 0.00 C ATOM 0 HA PRO A 89 4.629 26.830 -28.581 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.888 28.459 -30.449 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.307 28.987 -29.566 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.395 28.598 -32.226 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.783 28.249 -31.215 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.838 26.326 -32.482 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.558 26.132 -32.212 1.00 0.00 H new ATOM 1364 N GLU A 90 1.742 25.742 -29.536 1.00 0.00 N ATOM 1365 CA GLU A 90 0.395 25.308 -29.102 1.00 0.00 C ATOM 1366 C GLU A 90 0.454 24.215 -28.004 1.00 0.00 C ATOM 1367 O GLU A 90 -0.581 23.872 -27.416 1.00 0.00 O ATOM 1368 CB GLU A 90 -0.395 24.792 -30.330 1.00 0.00 C ATOM 1369 CG GLU A 90 0.264 23.589 -31.031 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.499 23.088 -32.261 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -1.428 22.277 -32.102 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.187 23.519 -33.390 1.00 0.00 O ATOM 0 H GLU A 90 1.992 25.412 -30.468 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.111 26.169 -28.665 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.399 24.511 -30.013 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.504 25.605 -31.048 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.275 23.866 -31.331 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.357 22.771 -30.316 1.00 0.00 H new ATOM 1379 N ASP A 91 1.668 23.696 -27.709 1.00 0.00 N ATOM 1380 CA ASP A 91 1.889 22.636 -26.690 1.00 0.00 C ATOM 1381 C ASP A 91 2.029 23.247 -25.270 1.00 0.00 C ATOM 1382 O ASP A 91 2.840 22.793 -24.449 1.00 0.00 O ATOM 1383 CB ASP A 91 3.145 21.783 -27.067 1.00 0.00 C ATOM 1384 CG ASP A 91 3.093 21.115 -28.459 1.00 0.00 C ATOM 1385 OD1 ASP A 91 4.158 20.675 -28.954 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.004 21.023 -29.068 1.00 0.00 O ATOM 0 H ASP A 91 2.526 23.999 -28.170 1.00 0.00 H new ATOM 0 HA ASP A 91 1.019 21.980 -26.677 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.026 22.423 -27.022 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.276 21.006 -26.314 1.00 0.00 H new ATOM 1391 N THR A 92 1.229 24.285 -24.996 1.00 0.00 N ATOM 1392 CA THR A 92 1.083 24.867 -23.665 1.00 0.00 C ATOM 1393 C THR A 92 -0.083 24.149 -22.948 1.00 0.00 C ATOM 1394 O THR A 92 -1.256 24.413 -23.238 1.00 0.00 O ATOM 1395 CB THR A 92 0.829 26.405 -23.772 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.949 27.021 -24.437 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.611 27.071 -22.402 1.00 0.00 C ATOM 0 H THR A 92 0.659 24.747 -25.705 1.00 0.00 H new ATOM 0 HA THR A 92 1.997 24.731 -23.087 1.00 0.00 H new ATOM 0 HB THR A 92 -0.088 26.547 -24.343 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.870 26.886 -25.404 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.440 28.139 -22.540 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.255 26.624 -21.914 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.494 26.923 -21.781 1.00 0.00 H new ATOM 1405 N ALA A 93 0.262 23.198 -22.061 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.714 22.350 -21.351 1.00 0.00 C ATOM 1407 C ALA A 93 -0.127 21.868 -20.011 1.00 0.00 C ATOM 1408 O ALA A 93 0.932 22.334 -19.576 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.116 21.155 -22.250 1.00 0.00 C ATOM 0 H ALA A 93 1.231 22.995 -21.815 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.609 22.932 -21.132 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.837 20.530 -21.723 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.563 21.527 -23.172 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.231 20.565 -22.489 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.836 20.947 -19.347 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.375 20.314 -18.106 1.00 0.00 C ATOM 1417 C VAL A 94 -0.366 18.780 -18.300 1.00 0.00 C ATOM 1418 O VAL A 94 -1.414 18.139 -18.363 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.253 20.787 -16.871 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.759 20.816 -17.200 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.974 19.944 -15.608 1.00 0.00 C ATOM 0 H VAL A 94 -1.750 20.618 -19.657 1.00 0.00 H new ATOM 0 HA VAL A 94 0.644 20.625 -17.877 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.951 21.812 -16.656 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.317 21.146 -16.323 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.938 21.506 -18.025 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.089 19.817 -17.485 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.596 20.302 -14.787 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.206 18.898 -15.810 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.077 20.036 -15.334 1.00 0.00 H new ATOM 1431 N TYR A 95 0.846 18.210 -18.441 1.00 0.00 N ATOM 1432 CA TYR A 95 1.049 16.763 -18.666 1.00 0.00 C ATOM 1433 C TYR A 95 1.214 16.019 -17.336 1.00 0.00 C ATOM 1434 O TYR A 95 1.776 16.551 -16.378 1.00 0.00 O ATOM 1435 CB TYR A 95 2.291 16.512 -19.575 1.00 0.00 C ATOM 1436 CG TYR A 95 2.006 16.578 -21.087 1.00 0.00 C ATOM 1437 CD1 TYR A 95 1.840 15.409 -21.844 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.918 17.798 -21.756 1.00 0.00 C ATOM 1439 CE1 TYR A 95 1.602 15.462 -23.206 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.676 17.856 -23.118 1.00 0.00 C ATOM 1441 CZ TYR A 95 1.521 16.686 -23.839 1.00 0.00 C ATOM 1442 OH TYR A 95 1.282 16.737 -25.197 1.00 0.00 O ATOM 0 H TYR A 95 1.716 18.741 -18.402 1.00 0.00 H new ATOM 0 HA TYR A 95 0.163 16.379 -19.171 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.057 17.248 -19.331 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.704 15.531 -19.339 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.899 14.448 -21.354 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.041 18.716 -21.201 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.480 14.550 -23.771 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.608 18.812 -23.616 1.00 0.00 H new ATOM 0 HH TYR A 95 1.253 17.672 -25.489 1.00 0.00 H new ATOM 1452 N LEU A 96 0.729 14.774 -17.315 1.00 0.00 N ATOM 1453 CA LEU A 96 0.860 13.857 -16.179 1.00 0.00 C ATOM 1454 C LEU A 96 1.046 12.426 -16.698 1.00 0.00 C ATOM 1455 O LEU A 96 0.631 12.102 -17.816 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.363 14.003 -15.213 1.00 0.00 C ATOM 1457 CG LEU A 96 -1.803 14.082 -15.850 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.297 12.723 -16.380 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -2.824 14.681 -14.855 1.00 0.00 C ATOM 0 H LEU A 96 0.224 14.367 -18.103 1.00 0.00 H new ATOM 0 HA LEU A 96 1.744 14.110 -15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.348 13.158 -14.525 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.212 14.903 -14.616 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.720 14.748 -16.709 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.293 12.839 -16.807 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.613 12.362 -17.148 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.335 12.005 -15.561 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.807 14.722 -15.323 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.873 14.056 -13.963 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.512 15.688 -14.576 1.00 0.00 H new ATOM 1471 N CYS A 97 1.697 11.582 -15.898 1.00 0.00 N ATOM 1472 CA CYS A 97 1.922 10.172 -16.244 1.00 0.00 C ATOM 1473 C CYS A 97 0.821 9.311 -15.626 1.00 0.00 C ATOM 1474 O CYS A 97 0.287 9.645 -14.568 1.00 0.00 O ATOM 1475 CB CYS A 97 3.308 9.723 -15.748 1.00 0.00 C ATOM 1476 SG CYS A 97 3.770 8.033 -16.198 1.00 0.00 S ATOM 0 H CYS A 97 2.084 11.852 -14.994 1.00 0.00 H new ATOM 0 HA CYS A 97 1.892 10.054 -17.327 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.058 10.407 -16.145 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.336 9.814 -14.662 1.00 0.00 H new ATOM 0 HG CYS A 97 3.121 7.676 -17.266 1.00 0.00 H new ATOM 1482 N ALA A 98 0.471 8.220 -16.303 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.475 7.222 -15.795 1.00 0.00 C ATOM 1484 C ALA A 98 0.280 5.940 -15.469 1.00 0.00 C ATOM 1485 O ALA A 98 1.300 5.641 -16.099 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.565 6.939 -16.832 1.00 0.00 C ATOM 0 H ALA A 98 0.838 7.999 -17.229 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.952 7.607 -14.894 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.258 6.196 -16.438 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.106 7.859 -17.052 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.108 6.560 -17.746 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.203 5.217 -14.466 1.00 0.00 N ATOM 1493 CA ALA A 99 0.297 3.893 -14.118 1.00 0.00 C ATOM 1494 C ALA A 99 -0.781 3.116 -13.383 1.00 0.00 C ATOM 1495 O ALA A 99 -1.455 3.662 -12.498 1.00 0.00 O ATOM 1496 CB ALA A 99 1.566 3.972 -13.263 1.00 0.00 C ATOM 0 H ALA A 99 -0.962 5.538 -13.864 1.00 0.00 H new ATOM 0 HA ALA A 99 0.556 3.377 -15.043 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.907 2.965 -13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.345 4.498 -13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.350 4.510 -12.340 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.941 1.856 -13.762 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.787 0.926 -13.041 1.00 0.00 C ATOM 1504 C GLY A 100 -1.401 -0.505 -13.325 1.00 0.00 C ATOM 1505 O GLY A 100 -0.629 -0.769 -14.256 1.00 0.00 O ATOM 0 H GLY A 100 -0.485 1.453 -14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.712 1.119 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.828 1.086 -13.322 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.356 3.012 -16.048 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.764 4.106 -15.257 1.00 0.00 C ATOM 1654 C PRO A 110 -5.327 4.118 -13.817 1.00 0.00 C ATOM 1655 O PRO A 110 -6.370 4.727 -13.540 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.130 5.385 -16.062 1.00 0.00 C ATOM 1657 CG PRO A 110 -6.348 5.005 -16.857 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.182 3.532 -17.176 1.00 0.00 C ATOM 0 HA PRO A 110 -3.686 4.011 -15.125 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.337 6.224 -15.398 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.311 5.689 -16.714 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.260 5.182 -16.287 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.422 5.598 -17.769 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.145 3.025 -17.233 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.686 3.384 -18.135 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.657 3.354 -12.925 1.00 0.00 N ATOM 1667 CA ASP A 111 -4.976 3.320 -11.482 1.00 0.00 C ATOM 1668 C ASP A 111 -4.782 4.707 -10.892 1.00 0.00 C ATOM 1669 O ASP A 111 -5.608 5.196 -10.112 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.066 2.302 -10.741 1.00 0.00 C ATOM 1671 CG ASP A 111 -4.247 2.287 -9.207 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -5.101 1.525 -8.696 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -3.534 3.039 -8.501 1.00 0.00 O ATOM 0 H ASP A 111 -3.881 2.745 -13.186 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.013 3.007 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.267 1.303 -11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.025 2.529 -10.970 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.684 5.337 -11.309 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.252 6.607 -10.770 1.00 0.00 C ATOM 1680 C TYR A 112 -2.679 7.477 -11.894 1.00 0.00 C ATOM 1681 O TYR A 112 -1.806 7.034 -12.646 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.194 6.345 -9.668 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.035 7.509 -8.688 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.990 7.729 -7.699 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -0.951 8.381 -8.754 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -2.874 8.783 -6.814 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -0.827 9.432 -7.870 1.00 0.00 C ATOM 1688 CZ TYR A 112 -1.790 9.628 -6.901 1.00 0.00 C ATOM 1689 OH TYR A 112 -1.671 10.687 -6.021 1.00 0.00 O ATOM 0 H TYR A 112 -3.071 4.970 -12.037 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.095 7.141 -10.330 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.472 5.449 -9.114 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.232 6.143 -10.139 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.837 7.063 -7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.195 8.231 -9.510 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.629 8.944 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.020 10.099 -7.936 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.850 11.184 -6.217 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.217 8.692 -12.028 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.616 9.756 -12.844 1.00 0.00 C ATOM 1701 C TRP A 113 -1.741 10.637 -11.949 1.00 0.00 C ATOM 1702 O TRP A 113 -1.980 10.737 -10.732 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.695 10.629 -13.533 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.495 9.924 -14.602 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.032 9.445 -15.795 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.903 9.665 -14.589 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.060 8.892 -16.512 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.217 9.012 -15.790 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.919 9.912 -13.666 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.510 8.612 -16.100 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -8.203 9.517 -13.973 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.490 8.868 -15.179 1.00 0.00 C ATOM 0 H TRP A 113 -4.086 8.969 -11.572 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.016 9.290 -13.626 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.381 11.001 -12.772 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.210 11.498 -13.977 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.005 9.495 -16.125 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.977 8.461 -17.433 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.704 10.403 -12.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.734 8.117 -17.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.001 9.711 -13.271 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.505 8.563 -15.387 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.755 11.291 -12.569 1.00 0.00 N ATOM 1724 CA GLY A 114 0.192 12.130 -11.855 1.00 0.00 C ATOM 1725 C GLY A 114 -0.379 13.450 -11.388 1.00 0.00 C ATOM 1726 O GLY A 114 -1.484 13.839 -11.776 1.00 0.00 O ATOM 0 H GLY A 114 -0.597 11.250 -13.576 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.565 11.582 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.047 12.325 -12.502 1.00 0.00 H new ATOM 1730 N GLN A 115 0.425 14.153 -10.579 1.00 0.00 N ATOM 1731 CA GLN A 115 0.055 15.447 -9.970 1.00 0.00 C ATOM 1732 C GLN A 115 -0.184 16.542 -11.034 1.00 0.00 C ATOM 1733 O GLN A 115 -0.864 17.540 -10.760 1.00 0.00 O ATOM 1734 CB GLN A 115 1.160 15.892 -8.974 1.00 0.00 C ATOM 1735 CG GLN A 115 2.569 16.054 -9.603 1.00 0.00 C ATOM 1736 CD GLN A 115 3.676 16.425 -8.608 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.637 17.119 -8.955 1.00 0.00 O ATOM 1738 NE2 GLN A 115 3.572 15.952 -7.371 1.00 0.00 N ATOM 0 H GLN A 115 1.361 13.840 -10.323 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.885 15.308 -9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.866 16.841 -8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.219 15.162 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.841 15.121 -10.097 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.521 16.822 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.768 15.381 -7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.296 16.160 -6.683 1.00 0.00 H new ATOM 1747 N GLY A 116 0.377 16.337 -12.241 1.00 0.00 N ATOM 1748 CA GLY A 116 0.252 17.281 -13.344 1.00 0.00 C ATOM 1749 C GLY A 116 1.270 18.409 -13.250 1.00 0.00 C ATOM 1750 O GLY A 116 1.361 19.083 -12.216 1.00 0.00 O ATOM 0 H GLY A 116 0.928 15.509 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.382 16.753 -14.289 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.754 17.701 -13.349 1.00 0.00 H new ATOM 1754 N THR A 117 2.022 18.638 -14.340 1.00 0.00 N ATOM 1755 CA THR A 117 3.088 19.651 -14.383 1.00 0.00 C ATOM 1756 C THR A 117 2.861 20.618 -15.571 1.00 0.00 C ATOM 1757 O THR A 117 2.472 20.192 -16.668 1.00 0.00 O ATOM 1758 CB THR A 117 4.500 18.978 -14.457 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.521 19.955 -14.216 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.763 18.274 -15.807 1.00 0.00 C ATOM 0 H THR A 117 1.907 18.126 -15.215 1.00 0.00 H new ATOM 0 HA THR A 117 3.052 20.231 -13.461 1.00 0.00 H new ATOM 0 HB THR A 117 4.523 18.209 -13.685 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.399 19.521 -14.230 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.757 17.827 -15.797 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.017 17.495 -15.963 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.701 19.003 -16.615 1.00 0.00 H new ATOM 1768 N GLN A 118 3.086 21.919 -15.325 1.00 0.00 N ATOM 1769 CA GLN A 118 2.840 22.990 -16.308 1.00 0.00 C ATOM 1770 C GLN A 118 3.990 23.099 -17.319 1.00 0.00 C ATOM 1771 O GLN A 118 5.051 23.647 -17.011 1.00 0.00 O ATOM 1772 CB GLN A 118 2.585 24.357 -15.581 1.00 0.00 C ATOM 1773 CG GLN A 118 1.105 24.616 -15.224 1.00 0.00 C ATOM 1774 CD GLN A 118 0.272 25.030 -16.444 1.00 0.00 C ATOM 1775 OE1 GLN A 118 0.096 26.216 -16.715 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.179 24.063 -17.231 1.00 0.00 N ATOM 0 H GLN A 118 3.446 22.261 -14.434 1.00 0.00 H new ATOM 0 HA GLN A 118 1.942 22.733 -16.870 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.178 24.386 -14.667 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.941 25.167 -16.218 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.677 23.715 -14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.048 25.398 -14.467 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.019 23.087 -16.982 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.686 24.295 -18.085 1.00 0.00 H new ATOM 1785 N VAL A 119 3.764 22.549 -18.526 1.00 0.00 N ATOM 1786 CA VAL A 119 4.667 22.727 -19.674 1.00 0.00 C ATOM 1787 C VAL A 119 4.084 23.830 -20.583 1.00 0.00 C ATOM 1788 O VAL A 119 2.883 23.847 -20.875 1.00 0.00 O ATOM 1789 CB VAL A 119 4.897 21.380 -20.471 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.474 20.284 -19.537 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.609 20.878 -21.174 1.00 0.00 C ATOM 0 H VAL A 119 2.950 21.969 -18.731 1.00 0.00 H new ATOM 0 HA VAL A 119 5.650 23.027 -19.311 1.00 0.00 H new ATOM 0 HB VAL A 119 5.623 21.595 -21.255 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.625 19.365 -20.104 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.427 20.619 -19.128 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.776 20.096 -18.721 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.823 19.951 -21.706 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.834 20.698 -20.429 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.264 21.631 -21.882 1.00 0.00 H new ATOM 1801 N THR A 120 4.913 24.799 -20.962 1.00 0.00 N ATOM 1802 CA THR A 120 4.486 25.937 -21.786 1.00 0.00 C ATOM 1803 C THR A 120 5.510 26.184 -22.887 1.00 0.00 C ATOM 1804 O THR A 120 6.630 26.582 -22.609 1.00 0.00 O ATOM 1805 CB THR A 120 4.290 27.202 -20.883 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.243 26.940 -19.936 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.947 28.475 -21.678 1.00 0.00 C ATOM 0 H THR A 120 5.901 24.822 -20.709 1.00 0.00 H new ATOM 0 HA THR A 120 3.530 25.715 -22.260 1.00 0.00 H new ATOM 0 HB THR A 120 5.241 27.390 -20.385 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.114 27.726 -19.365 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.825 29.312 -20.990 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.753 28.695 -22.378 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.020 28.321 -22.230 1.00 0.00 H new ATOM 1815 N VAL A 121 5.149 25.916 -24.139 1.00 0.00 N ATOM 1816 CA VAL A 121 6.069 26.138 -25.258 1.00 0.00 C ATOM 1817 C VAL A 121 5.847 27.545 -25.844 1.00 0.00 C ATOM 1818 O VAL A 121 4.825 27.803 -26.476 1.00 0.00 O ATOM 1819 CB VAL A 121 5.923 25.028 -26.351 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.962 25.218 -27.481 1.00 0.00 C ATOM 1821 CG2 VAL A 121 6.039 23.618 -25.721 1.00 0.00 C ATOM 0 H VAL A 121 4.236 25.548 -24.406 1.00 0.00 H new ATOM 0 HA VAL A 121 7.091 26.076 -24.885 1.00 0.00 H new ATOM 0 HB VAL A 121 4.931 25.120 -26.794 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.837 24.432 -28.226 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.815 26.191 -27.951 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.967 25.165 -27.063 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.934 22.862 -26.499 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.012 23.513 -25.241 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.252 23.485 -24.978 1.00 0.00 H new ATOM 1831 N SER A 122 6.778 28.469 -25.534 1.00 0.00 N ATOM 1832 CA SER A 122 6.867 29.791 -26.188 1.00 0.00 C ATOM 1833 C SER A 122 7.141 29.671 -27.702 1.00 0.00 C ATOM 1834 O SER A 122 7.724 28.685 -28.169 1.00 0.00 O ATOM 1835 CB SER A 122 8.002 30.607 -25.543 1.00 0.00 C ATOM 1836 OG SER A 122 8.208 31.854 -26.191 1.00 0.00 O ATOM 0 H SER A 122 7.492 28.320 -24.821 1.00 0.00 H new ATOM 0 HA SER A 122 5.906 30.288 -26.054 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.769 30.781 -24.492 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.925 30.028 -25.574 1.00 0.00 H new ATOM 0 HG SER A 122 8.936 32.337 -25.747 1.00 0.00 H new ATOM 1842 N SER A 123 6.744 30.709 -28.456 1.00 0.00 N ATOM 1843 CA SER A 123 7.095 30.852 -29.874 1.00 0.00 C ATOM 1844 C SER A 123 8.476 31.531 -30.001 1.00 0.00 C ATOM 1845 O SER A 123 8.578 32.722 -30.328 1.00 0.00 O ATOM 1846 CB SER A 123 5.987 31.639 -30.617 1.00 0.00 C ATOM 1847 OG SER A 123 6.292 31.829 -31.992 1.00 0.00 O ATOM 0 H SER A 123 6.170 31.472 -28.097 1.00 0.00 H new ATOM 0 HA SER A 123 7.164 29.870 -30.341 1.00 0.00 H new ATOM 0 HB2 SER A 123 5.042 31.104 -30.527 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.851 32.609 -30.140 1.00 0.00 H new ATOM 0 HG SER A 123 5.566 32.328 -32.422 1.00 0.00 H new ATOM 1853 N LEU A 124 9.527 30.758 -29.636 1.00 0.00 N ATOM 1854 CA LEU A 124 10.964 31.136 -29.788 1.00 0.00 C ATOM 1855 C LEU A 124 11.418 32.298 -28.867 1.00 0.00 C ATOM 1856 O LEU A 124 12.607 32.648 -28.880 1.00 0.00 O ATOM 1857 CB LEU A 124 11.327 31.459 -31.286 1.00 0.00 C ATOM 1858 CG LEU A 124 11.533 30.242 -32.245 1.00 0.00 C ATOM 1859 CD1 LEU A 124 12.664 29.321 -31.744 1.00 0.00 C ATOM 1860 CD2 LEU A 124 10.225 29.461 -32.483 1.00 0.00 C ATOM 0 H LEU A 124 9.404 29.835 -29.219 1.00 0.00 H new ATOM 0 HA LEU A 124 11.516 30.253 -29.466 1.00 0.00 H new ATOM 0 HB2 LEU A 124 10.536 32.085 -31.699 1.00 0.00 H new ATOM 0 HB3 LEU A 124 12.240 32.054 -31.292 1.00 0.00 H new ATOM 0 HG LEU A 124 11.837 30.643 -33.212 1.00 0.00 H new ATOM 0 HD11 LEU A 124 12.783 28.484 -32.432 1.00 0.00 H new ATOM 0 HD12 LEU A 124 13.596 29.884 -31.693 1.00 0.00 H new ATOM 0 HD13 LEU A 124 12.413 28.943 -30.753 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.418 28.625 -33.155 1.00 0.00 H new ATOM 0 HD22 LEU A 124 9.849 29.083 -31.532 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.483 30.122 -32.930 1.00 0.00 H new