USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 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 35 SER OG : rot 55:sc= -0.0467 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.102 K(o=-0.15,f=-2.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 50:sc= 1.2 USER MOD Single : A 5 HIS : no HD1:sc= -1.84! K(o=-1.8!,f=0.047) USER MOD Single : A 6 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.004) USER MOD Single : A 7 HIS : no HD1:sc= -0.0081 X(o=-0.0081,f=-0.13) USER MOD Single : A 8 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.76) USER MOD Single : A 9 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=-0.62) USER MOD Single : A 10 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-1.6!) USER MOD Single : A 11 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=-0.3) USER MOD Single : A 12 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-3.9!) USER MOD Single : A 14 ASN : amide:sc= 0.15 K(o=0.15,f=-1.9!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.13) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 34 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 37 MET CE :methyl -133:sc= -2.66! (180deg=-4.78!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -69:sc= -0.2 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -92:sc= 0.94 USER MOD Single : A 49 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0088) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 58 CYS SG : rot 20:sc= 0.605 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 93:sc= 0.562 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -6.43! C(o=-6.4!,f=-4.1!) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 160:sc= -0.431 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 82 SER OG : rot -46:sc= -0.15 USER MOD Single : A 90 HIS : no HE2:sc= -4.13! K(o=-4.1!,f=-2.2) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -52:sc= 1.41 USER MOD Single : A 104 GLN : amide:sc= -2.53 K(o=-2.5,f=-1.6!) USER MOD Single : A 105 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -162:sc= -0.244 (180deg=-0.697) USER MOD Single : A 109 THR OG1 : rot -85:sc= -0.254 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.571 -31.238 16.072 1.00 0.00 N ATOM 2 CA MET A 1 23.419 -30.107 16.549 1.00 0.00 C ATOM 3 C MET A 1 22.920 -28.770 16.009 1.00 0.00 C ATOM 4 O MET A 1 22.846 -27.783 16.741 1.00 0.00 O ATOM 5 CB MET A 1 24.864 -30.348 16.101 1.00 0.00 C ATOM 6 CG MET A 1 25.885 -29.524 16.869 1.00 0.00 C ATOM 7 SD MET A 1 27.581 -30.046 16.548 1.00 0.00 S ATOM 8 CE MET A 1 27.937 -30.969 18.042 1.00 0.00 C ATOM 0 H1 MET A 1 22.895 -32.124 16.510 1.00 0.00 H new ATOM 0 H2 MET A 1 21.580 -31.064 16.335 1.00 0.00 H new ATOM 0 H3 MET A 1 22.646 -31.316 15.038 1.00 0.00 H new ATOM 0 HA MET A 1 23.365 -30.063 17.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.100 -31.406 16.219 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.949 -30.119 15.039 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.775 -28.474 16.600 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.681 -29.603 17.937 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.954 -31.358 17.996 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.839 -30.313 18.907 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.235 -31.798 18.133 1.00 0.00 H new ATOM 20 N GLY A 2 22.580 -28.745 14.724 1.00 0.00 N ATOM 21 CA GLY A 2 22.092 -27.524 14.109 1.00 0.00 C ATOM 22 C GLY A 2 23.178 -26.778 13.359 1.00 0.00 C ATOM 23 O GLY A 2 23.982 -27.384 12.651 1.00 0.00 O ATOM 0 H GLY A 2 22.634 -29.548 14.098 1.00 0.00 H new ATOM 0 HA2 GLY A 2 21.281 -27.766 13.422 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.675 -26.875 14.879 1.00 0.00 H new ATOM 27 N SER A 3 23.199 -25.458 13.514 1.00 0.00 N ATOM 28 CA SER A 3 24.193 -24.625 12.846 1.00 0.00 C ATOM 29 C SER A 3 24.811 -23.626 13.821 1.00 0.00 C ATOM 30 O SER A 3 26.029 -23.448 13.850 1.00 0.00 O ATOM 31 CB SER A 3 23.559 -23.884 11.668 1.00 0.00 C ATOM 32 OG SER A 3 23.168 -24.788 10.647 1.00 0.00 O ATOM 0 H SER A 3 22.539 -24.942 14.096 1.00 0.00 H new ATOM 0 HA SER A 3 24.984 -25.275 12.472 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.691 -23.322 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.268 -23.160 11.265 1.00 0.00 H new ATOM 0 HG SER A 3 22.764 -24.290 9.906 1.00 0.00 H new ATOM 38 N SER A 4 23.966 -22.978 14.621 1.00 0.00 N ATOM 39 CA SER A 4 24.434 -21.998 15.599 1.00 0.00 C ATOM 40 C SER A 4 23.261 -21.376 16.360 1.00 0.00 C ATOM 41 O SER A 4 22.112 -21.780 16.186 1.00 0.00 O ATOM 42 CB SER A 4 25.256 -20.907 14.908 1.00 0.00 C ATOM 43 OG SER A 4 26.644 -21.189 14.981 1.00 0.00 O ATOM 0 H SER A 4 22.955 -23.114 14.611 1.00 0.00 H new ATOM 0 HA SER A 4 25.068 -22.516 16.318 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.953 -20.825 13.864 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.053 -19.943 15.375 1.00 0.00 H new ATOM 0 HG SER A 4 26.806 -22.110 14.689 1.00 0.00 H new ATOM 49 N HIS A 5 23.562 -20.395 17.212 1.00 0.00 N ATOM 50 CA HIS A 5 22.534 -19.723 18.010 1.00 0.00 C ATOM 51 C HIS A 5 23.114 -18.509 18.733 1.00 0.00 C ATOM 52 O HIS A 5 24.314 -18.448 19.000 1.00 0.00 O ATOM 53 CB HIS A 5 21.946 -20.701 19.033 1.00 0.00 C ATOM 54 CG HIS A 5 20.484 -20.502 19.319 1.00 0.00 C ATOM 55 ND1 HIS A 5 19.614 -21.550 19.534 1.00 0.00 N ATOM 56 CD2 HIS A 5 19.741 -19.374 19.445 1.00 0.00 C ATOM 57 CE1 HIS A 5 18.404 -21.078 19.776 1.00 0.00 C ATOM 58 NE2 HIS A 5 18.455 -19.761 19.728 1.00 0.00 N ATOM 0 H HIS A 5 24.508 -20.048 17.368 1.00 0.00 H new ATOM 0 HA HIS A 5 21.747 -19.382 17.338 1.00 0.00 H new ATOM 0 HB2 HIS A 5 22.097 -21.718 18.672 1.00 0.00 H new ATOM 0 HB3 HIS A 5 22.501 -20.608 19.966 1.00 0.00 H new ATOM 0 HD2 HIS A 5 20.096 -18.359 19.342 1.00 0.00 H new ATOM 0 HE1 HIS A 5 17.523 -21.670 19.979 1.00 0.00 H new ATOM 0 HE2 HIS A 5 17.666 -19.132 19.877 1.00 0.00 H new ATOM 67 N HIS A 6 22.257 -17.540 19.042 1.00 0.00 N ATOM 68 CA HIS A 6 22.682 -16.327 19.728 1.00 0.00 C ATOM 69 C HIS A 6 23.674 -15.554 18.875 1.00 0.00 C ATOM 70 O HIS A 6 24.727 -15.128 19.350 1.00 0.00 O ATOM 71 CB HIS A 6 23.302 -16.661 21.088 1.00 0.00 C ATOM 72 CG HIS A 6 23.232 -15.528 22.064 1.00 0.00 C ATOM 73 ND1 HIS A 6 22.340 -15.490 23.115 1.00 0.00 N ATOM 74 CD2 HIS A 6 23.946 -14.378 22.141 1.00 0.00 C ATOM 75 CE1 HIS A 6 22.505 -14.370 23.795 1.00 0.00 C ATOM 76 NE2 HIS A 6 23.475 -13.679 23.225 1.00 0.00 N ATOM 0 H HIS A 6 21.261 -17.573 18.827 1.00 0.00 H new ATOM 0 HA HIS A 6 21.803 -15.705 19.894 1.00 0.00 H new ATOM 0 HB2 HIS A 6 22.792 -17.527 21.510 1.00 0.00 H new ATOM 0 HB3 HIS A 6 24.345 -16.944 20.945 1.00 0.00 H new ATOM 0 HD2 HIS A 6 24.738 -14.069 21.474 1.00 0.00 H new ATOM 0 HE1 HIS A 6 21.943 -14.071 24.667 1.00 0.00 H new ATOM 0 HE2 HIS A 6 23.819 -12.772 23.539 1.00 0.00 H new ATOM 85 N HIS A 7 23.326 -15.380 17.606 1.00 0.00 N ATOM 86 CA HIS A 7 24.178 -14.663 16.671 1.00 0.00 C ATOM 87 C HIS A 7 23.412 -13.524 16.009 1.00 0.00 C ATOM 88 O HIS A 7 23.907 -12.400 15.917 1.00 0.00 O ATOM 89 CB HIS A 7 24.717 -15.622 15.609 1.00 0.00 C ATOM 90 CG HIS A 7 26.167 -15.418 15.302 1.00 0.00 C ATOM 91 ND1 HIS A 7 27.160 -15.531 16.250 1.00 0.00 N ATOM 92 CD2 HIS A 7 26.791 -15.104 14.142 1.00 0.00 C ATOM 93 CE1 HIS A 7 28.332 -15.294 15.691 1.00 0.00 C ATOM 94 NE2 HIS A 7 28.136 -15.033 14.410 1.00 0.00 N ATOM 0 H HIS A 7 22.456 -15.728 17.202 1.00 0.00 H new ATOM 0 HA HIS A 7 25.016 -14.239 17.224 1.00 0.00 H new ATOM 0 HB2 HIS A 7 24.566 -16.647 15.946 1.00 0.00 H new ATOM 0 HB3 HIS A 7 24.139 -15.499 14.693 1.00 0.00 H new ATOM 0 HD2 HIS A 7 26.319 -14.940 13.185 1.00 0.00 H new ATOM 0 HE1 HIS A 7 29.288 -15.310 16.194 1.00 0.00 H new ATOM 0 HE2 HIS A 7 28.865 -14.814 13.731 1.00 0.00 H new ATOM 103 N HIS A 8 22.200 -13.820 15.549 1.00 0.00 N ATOM 104 CA HIS A 8 21.364 -12.820 14.897 1.00 0.00 C ATOM 105 C HIS A 8 19.994 -13.392 14.546 1.00 0.00 C ATOM 106 O HIS A 8 19.891 -14.480 13.979 1.00 0.00 O ATOM 107 CB HIS A 8 22.048 -12.301 13.632 1.00 0.00 C ATOM 108 CG HIS A 8 21.777 -10.855 13.362 1.00 0.00 C ATOM 109 ND1 HIS A 8 21.539 -9.935 14.360 1.00 0.00 N ATOM 110 CD2 HIS A 8 21.703 -10.168 12.197 1.00 0.00 C ATOM 111 CE1 HIS A 8 21.331 -8.747 13.825 1.00 0.00 C ATOM 112 NE2 HIS A 8 21.426 -8.860 12.513 1.00 0.00 N ATOM 0 H HIS A 8 21.776 -14.745 15.616 1.00 0.00 H new ATOM 0 HA HIS A 8 21.223 -11.995 15.595 1.00 0.00 H new ATOM 0 HB2 HIS A 8 23.124 -12.451 13.722 1.00 0.00 H new ATOM 0 HB3 HIS A 8 21.714 -12.891 12.779 1.00 0.00 H new ATOM 0 HD2 HIS A 8 21.837 -10.573 11.205 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.119 -7.838 14.368 1.00 0.00 H new ATOM 0 HE2 HIS A 8 21.312 -8.100 11.843 1.00 0.00 H new ATOM 121 N HIS A 9 18.945 -12.650 14.889 1.00 0.00 N ATOM 122 CA HIS A 9 17.577 -13.080 14.614 1.00 0.00 C ATOM 123 C HIS A 9 16.991 -12.301 13.439 1.00 0.00 C ATOM 124 O HIS A 9 16.990 -11.070 13.437 1.00 0.00 O ATOM 125 CB HIS A 9 16.690 -12.891 15.850 1.00 0.00 C ATOM 126 CG HIS A 9 17.338 -13.295 17.141 1.00 0.00 C ATOM 127 ND1 HIS A 9 16.732 -13.125 18.368 1.00 0.00 N ATOM 128 CD2 HIS A 9 18.542 -13.862 17.399 1.00 0.00 C ATOM 129 CE1 HIS A 9 17.532 -13.566 19.322 1.00 0.00 C ATOM 130 NE2 HIS A 9 18.638 -14.018 18.760 1.00 0.00 N ATOM 0 H HIS A 9 19.016 -11.747 15.358 1.00 0.00 H new ATOM 0 HA HIS A 9 17.606 -14.139 14.357 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.397 -11.843 15.916 1.00 0.00 H new ATOM 0 HB3 HIS A 9 15.776 -13.470 15.719 1.00 0.00 H new ATOM 0 HD2 HIS A 9 19.288 -14.140 16.669 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.318 -13.558 20.381 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.434 -14.418 19.256 1.00 0.00 H new ATOM 139 N HIS A 10 16.489 -13.026 12.444 1.00 0.00 N ATOM 140 CA HIS A 10 15.895 -12.404 11.264 1.00 0.00 C ATOM 141 C HIS A 10 16.906 -11.523 10.537 1.00 0.00 C ATOM 142 O HIS A 10 17.307 -10.474 11.041 1.00 0.00 O ATOM 143 CB HIS A 10 14.675 -11.569 11.657 1.00 0.00 C ATOM 144 CG HIS A 10 13.733 -12.275 12.580 1.00 0.00 C ATOM 145 ND1 HIS A 10 13.846 -13.613 12.895 1.00 0.00 N ATOM 146 CD2 HIS A 10 12.653 -11.822 13.261 1.00 0.00 C ATOM 147 CE1 HIS A 10 12.878 -13.954 13.726 1.00 0.00 C ATOM 148 NE2 HIS A 10 12.141 -12.885 13.964 1.00 0.00 N ATOM 0 H HIS A 10 16.481 -14.046 12.431 1.00 0.00 H new ATOM 0 HA HIS A 10 15.584 -13.202 10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 10 15.014 -10.649 12.133 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.137 -11.281 10.754 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.267 -10.813 13.253 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.717 -14.938 14.140 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.323 -12.854 14.572 1.00 0.00 H new ATOM 157 N HIS A 11 17.310 -11.954 9.347 1.00 0.00 N ATOM 158 CA HIS A 11 18.269 -11.202 8.548 1.00 0.00 C ATOM 159 C HIS A 11 17.625 -9.944 7.974 1.00 0.00 C ATOM 160 O HIS A 11 17.847 -8.839 8.467 1.00 0.00 O ATOM 161 CB HIS A 11 18.816 -12.073 7.414 1.00 0.00 C ATOM 162 CG HIS A 11 19.662 -13.213 7.887 1.00 0.00 C ATOM 163 ND1 HIS A 11 19.154 -14.297 8.571 1.00 0.00 N ATOM 164 CD2 HIS A 11 20.993 -13.439 7.768 1.00 0.00 C ATOM 165 CE1 HIS A 11 20.131 -15.139 8.853 1.00 0.00 C ATOM 166 NE2 HIS A 11 21.258 -14.642 8.377 1.00 0.00 N ATOM 0 H HIS A 11 16.988 -12.820 8.915 1.00 0.00 H new ATOM 0 HA HIS A 11 19.093 -10.905 9.196 1.00 0.00 H new ATOM 0 HB2 HIS A 11 17.981 -12.467 6.835 1.00 0.00 H new ATOM 0 HB3 HIS A 11 19.405 -11.450 6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 11 21.712 -12.794 7.285 1.00 0.00 H new ATOM 0 HE1 HIS A 11 20.026 -16.074 9.383 1.00 0.00 H new ATOM 0 HE2 HIS A 11 22.176 -15.080 8.450 1.00 0.00 H new ATOM 175 N HIS A 12 16.827 -10.121 6.926 1.00 0.00 N ATOM 176 CA HIS A 12 16.149 -9.001 6.281 1.00 0.00 C ATOM 177 C HIS A 12 15.178 -9.489 5.206 1.00 0.00 C ATOM 178 O HIS A 12 14.847 -8.751 4.277 1.00 0.00 O ATOM 179 CB HIS A 12 17.179 -8.060 5.657 1.00 0.00 C ATOM 180 CG HIS A 12 18.146 -8.759 4.755 1.00 0.00 C ATOM 181 ND1 HIS A 12 17.857 -9.950 4.124 1.00 0.00 N ATOM 182 CD2 HIS A 12 19.406 -8.435 4.378 1.00 0.00 C ATOM 183 CE1 HIS A 12 18.893 -10.330 3.401 1.00 0.00 C ATOM 184 NE2 HIS A 12 19.847 -9.428 3.538 1.00 0.00 N ATOM 0 H HIS A 12 16.634 -11.030 6.505 1.00 0.00 H new ATOM 0 HA HIS A 12 15.578 -8.467 7.041 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.659 -7.286 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 12 17.731 -7.558 6.451 1.00 0.00 H new ATOM 0 HD2 HIS A 12 19.960 -7.559 4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 12 18.951 -11.226 2.800 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.764 -9.463 3.092 1.00 0.00 H new ATOM 193 N GLU A 13 14.721 -10.731 5.337 1.00 0.00 N ATOM 194 CA GLU A 13 13.789 -11.308 4.376 1.00 0.00 C ATOM 195 C GLU A 13 14.409 -11.376 2.983 1.00 0.00 C ATOM 196 O GLU A 13 15.582 -11.052 2.797 1.00 0.00 O ATOM 197 CB GLU A 13 12.497 -10.490 4.337 1.00 0.00 C ATOM 198 CG GLU A 13 11.398 -11.051 5.222 1.00 0.00 C ATOM 199 CD GLU A 13 10.440 -11.948 4.463 1.00 0.00 C ATOM 200 OE1 GLU A 13 9.592 -11.415 3.718 1.00 0.00 O ATOM 201 OE2 GLU A 13 10.538 -13.185 4.614 1.00 0.00 O ATOM 0 H GLU A 13 14.981 -11.356 6.100 1.00 0.00 H new ATOM 0 HA GLU A 13 13.559 -12.324 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.714 -9.467 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.137 -10.443 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.847 -11.615 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.842 -10.228 5.670 1.00 0.00 H new ATOM 208 N ASN A 14 13.612 -11.801 2.008 1.00 0.00 N ATOM 209 CA ASN A 14 14.078 -11.915 0.631 1.00 0.00 C ATOM 210 C ASN A 14 13.761 -10.651 -0.161 1.00 0.00 C ATOM 211 O ASN A 14 14.528 -10.244 -1.033 1.00 0.00 O ATOM 212 CB ASN A 14 13.434 -13.127 -0.047 1.00 0.00 C ATOM 213 CG ASN A 14 11.919 -13.066 -0.017 1.00 0.00 C ATOM 214 OD1 ASN A 14 11.301 -13.241 1.033 1.00 0.00 O ATOM 215 ND2 ASN A 14 11.313 -12.819 -1.172 1.00 0.00 N ATOM 0 H ASN A 14 12.639 -12.073 2.147 1.00 0.00 H new ATOM 0 HA ASN A 14 15.160 -12.047 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.773 -13.184 -1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.769 -14.038 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.295 -12.768 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.865 -12.680 -2.018 1.00 0.00 H new ATOM 222 N LEU A 15 12.626 -10.034 0.150 1.00 0.00 N ATOM 223 CA LEU A 15 12.207 -8.815 -0.532 1.00 0.00 C ATOM 224 C LEU A 15 12.924 -7.597 0.042 1.00 0.00 C ATOM 225 O LEU A 15 12.736 -7.247 1.207 1.00 0.00 O ATOM 226 CB LEU A 15 10.690 -8.638 -0.415 1.00 0.00 C ATOM 227 CG LEU A 15 9.902 -8.915 -1.696 1.00 0.00 C ATOM 228 CD1 LEU A 15 8.505 -9.415 -1.365 1.00 0.00 C ATOM 229 CD2 LEU A 15 9.832 -7.663 -2.559 1.00 0.00 C ATOM 0 H LEU A 15 11.980 -10.358 0.870 1.00 0.00 H new ATOM 0 HA LEU A 15 12.474 -8.904 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.322 -9.300 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.483 -7.617 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 15 10.420 -9.692 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.959 -9.607 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.576 -10.337 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.977 -8.661 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.268 -7.878 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.337 -6.866 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.841 -7.348 -2.825 1.00 0.00 H new ATOM 241 N TYR A 16 13.743 -6.957 -0.785 1.00 0.00 N ATOM 242 CA TYR A 16 14.488 -5.777 -0.359 1.00 0.00 C ATOM 243 C TYR A 16 14.149 -4.575 -1.235 1.00 0.00 C ATOM 244 O TYR A 16 14.930 -4.187 -2.104 1.00 0.00 O ATOM 245 CB TYR A 16 15.993 -6.053 -0.406 1.00 0.00 C ATOM 246 CG TYR A 16 16.812 -5.135 0.475 1.00 0.00 C ATOM 247 CD1 TYR A 16 16.360 -4.758 1.735 1.00 0.00 C ATOM 248 CD2 TYR A 16 18.040 -4.647 0.046 1.00 0.00 C ATOM 249 CE1 TYR A 16 17.108 -3.920 2.540 1.00 0.00 C ATOM 250 CE2 TYR A 16 18.794 -3.809 0.847 1.00 0.00 C ATOM 251 CZ TYR A 16 18.324 -3.449 2.092 1.00 0.00 C ATOM 252 OH TYR A 16 19.072 -2.616 2.891 1.00 0.00 O ATOM 0 H TYR A 16 13.908 -7.234 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 16 14.202 -5.547 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 16 16.173 -7.085 -0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.338 -5.956 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 16 15.409 -5.126 2.090 1.00 0.00 H new ATOM 0 HD2 TYR A 16 18.412 -4.927 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.742 -3.635 3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.747 -3.438 0.499 1.00 0.00 H new ATOM 0 HH TYR A 16 19.901 -2.376 2.427 1.00 0.00 H new ATOM 262 N PHE A 17 12.979 -3.991 -0.999 1.00 0.00 N ATOM 263 CA PHE A 17 12.532 -2.834 -1.765 1.00 0.00 C ATOM 264 C PHE A 17 12.421 -3.173 -3.248 1.00 0.00 C ATOM 265 O PHE A 17 13.409 -3.132 -3.981 1.00 0.00 O ATOM 266 CB PHE A 17 13.494 -1.661 -1.563 1.00 0.00 C ATOM 267 CG PHE A 17 12.826 -0.422 -1.036 1.00 0.00 C ATOM 268 CD1 PHE A 17 11.802 0.182 -1.747 1.00 0.00 C ATOM 269 CD2 PHE A 17 13.220 0.134 0.171 1.00 0.00 C ATOM 270 CE1 PHE A 17 11.184 1.321 -1.265 1.00 0.00 C ATOM 271 CE2 PHE A 17 12.605 1.272 0.658 1.00 0.00 C ATOM 272 CZ PHE A 17 11.586 1.866 -0.061 1.00 0.00 C ATOM 0 H PHE A 17 12.323 -4.301 -0.282 1.00 0.00 H new ATOM 0 HA PHE A 17 11.544 -2.548 -1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.281 -1.962 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.976 -1.429 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.483 -0.241 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.016 -0.327 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.388 1.784 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.921 1.696 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.104 2.755 0.318 1.00 0.00 H new ATOM 282 N GLN A 18 11.210 -3.507 -3.683 1.00 0.00 N ATOM 283 CA GLN A 18 10.964 -3.853 -5.078 1.00 0.00 C ATOM 284 C GLN A 18 10.044 -2.830 -5.737 1.00 0.00 C ATOM 285 O GLN A 18 10.456 -2.094 -6.633 1.00 0.00 O ATOM 286 CB GLN A 18 10.348 -5.250 -5.177 1.00 0.00 C ATOM 287 CG GLN A 18 11.125 -6.200 -6.074 1.00 0.00 C ATOM 288 CD GLN A 18 10.457 -6.417 -7.417 1.00 0.00 C ATOM 289 OE1 GLN A 18 11.110 -6.385 -8.461 1.00 0.00 O ATOM 290 NE2 GLN A 18 9.147 -6.641 -7.400 1.00 0.00 N ATOM 0 H GLN A 18 10.382 -3.545 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 18 11.919 -3.847 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.283 -5.680 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.329 -5.162 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.128 -5.804 -6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.236 -7.160 -5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.644 -6.659 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.644 -6.795 -8.274 1.00 0.00 H new ATOM 299 N GLY A 19 8.796 -2.792 -5.283 1.00 0.00 N ATOM 300 CA GLY A 19 7.833 -1.860 -5.835 1.00 0.00 C ATOM 301 C GLY A 19 6.447 -2.052 -5.255 1.00 0.00 C ATOM 302 O GLY A 19 6.106 -3.142 -4.795 1.00 0.00 O ATOM 0 H GLY A 19 8.435 -3.392 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.167 -0.840 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.791 -1.983 -6.917 1.00 0.00 H new ATOM 306 N SER A 20 5.646 -0.992 -5.275 1.00 0.00 N ATOM 307 CA SER A 20 4.290 -1.043 -4.743 1.00 0.00 C ATOM 308 C SER A 20 4.309 -1.097 -3.223 1.00 0.00 C ATOM 309 O SER A 20 5.365 -1.239 -2.607 1.00 0.00 O ATOM 310 CB SER A 20 3.536 -2.258 -5.297 1.00 0.00 C ATOM 311 OG SER A 20 3.832 -2.463 -6.666 1.00 0.00 O ATOM 0 H SER A 20 5.914 -0.084 -5.655 1.00 0.00 H new ATOM 0 HA SER A 20 3.774 -0.135 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.805 -3.147 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.463 -2.112 -5.172 1.00 0.00 H new ATOM 0 HG SER A 20 3.340 -3.245 -6.994 1.00 0.00 H new ATOM 317 N LYS A 21 3.133 -0.985 -2.621 1.00 0.00 N ATOM 318 CA LYS A 21 3.010 -1.024 -1.172 1.00 0.00 C ATOM 319 C LYS A 21 1.582 -1.363 -0.765 1.00 0.00 C ATOM 320 O LYS A 21 1.274 -2.509 -0.440 1.00 0.00 O ATOM 321 CB LYS A 21 3.433 0.318 -0.563 1.00 0.00 C ATOM 322 CG LYS A 21 4.623 0.217 0.375 1.00 0.00 C ATOM 323 CD LYS A 21 5.318 1.559 0.531 1.00 0.00 C ATOM 324 CE LYS A 21 6.706 1.400 1.127 1.00 0.00 C ATOM 325 NZ LYS A 21 7.443 2.693 1.178 1.00 0.00 N ATOM 0 H LYS A 21 2.249 -0.866 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 21 3.671 -1.803 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.675 1.012 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.589 0.742 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.291 -0.139 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.330 -0.519 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.392 2.047 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.719 2.208 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.623 0.990 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.274 0.682 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.385 2.540 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.545 3.073 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.914 3.371 1.763 1.00 0.00 H new ATOM 339 N ARG A 22 0.713 -0.356 -0.769 1.00 0.00 N ATOM 340 CA ARG A 22 -0.676 -0.547 -0.386 1.00 0.00 C ATOM 341 C ARG A 22 -1.609 -0.320 -1.575 1.00 0.00 C ATOM 342 O ARG A 22 -1.330 0.500 -2.447 1.00 0.00 O ATOM 343 CB ARG A 22 -1.023 0.413 0.758 1.00 0.00 C ATOM 344 CG ARG A 22 -0.042 0.340 1.926 1.00 0.00 C ATOM 345 CD ARG A 22 0.586 1.693 2.238 1.00 0.00 C ATOM 346 NE ARG A 22 1.990 1.564 2.630 1.00 0.00 N ATOM 347 CZ ARG A 22 2.719 2.558 3.138 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.186 3.761 3.318 1.00 0.00 N ATOM 349 NH2 ARG A 22 3.986 2.346 3.470 1.00 0.00 N ATOM 0 H ARG A 22 0.950 0.600 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.811 -1.575 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.044 1.433 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.026 0.188 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.560 -0.030 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.744 -0.378 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.511 2.339 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.028 2.176 3.040 1.00 0.00 H new ATOM 0 HE ARG A 22 2.439 0.657 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.212 3.930 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.751 4.516 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.401 1.424 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.545 3.105 3.859 1.00 0.00 H new ATOM 363 N LYS A 23 -2.710 -1.065 -1.612 1.00 0.00 N ATOM 364 CA LYS A 23 -3.676 -0.948 -2.698 1.00 0.00 C ATOM 365 C LYS A 23 -5.099 -0.846 -2.152 1.00 0.00 C ATOM 366 O LYS A 23 -5.622 -1.797 -1.572 1.00 0.00 O ATOM 367 CB LYS A 23 -3.552 -2.143 -3.648 1.00 0.00 C ATOM 368 CG LYS A 23 -3.066 -1.757 -5.034 1.00 0.00 C ATOM 369 CD LYS A 23 -2.914 -2.967 -5.942 1.00 0.00 C ATOM 370 CE LYS A 23 -4.071 -3.079 -6.920 1.00 0.00 C ATOM 371 NZ LYS A 23 -3.619 -3.462 -8.285 1.00 0.00 N ATOM 0 H LYS A 23 -2.955 -1.756 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.460 -0.035 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.864 -2.871 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.522 -2.633 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.768 -1.054 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.108 -1.243 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.976 -2.894 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.859 -3.872 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.783 -3.819 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.598 -2.126 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.442 -3.526 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.959 -2.744 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.139 -4.384 -8.246 1.00 0.00 H new ATOM 385 N ILE A 24 -5.711 0.323 -2.323 1.00 0.00 N ATOM 386 CA ILE A 24 -7.066 0.563 -1.832 1.00 0.00 C ATOM 387 C ILE A 24 -8.108 0.361 -2.923 1.00 0.00 C ATOM 388 O ILE A 24 -7.819 0.547 -4.103 1.00 0.00 O ATOM 389 CB ILE A 24 -7.213 2.002 -1.299 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.002 2.375 -0.450 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.508 2.157 -0.508 1.00 0.00 C ATOM 392 CD1 ILE A 24 -6.120 3.727 0.221 1.00 0.00 C ATOM 0 H ILE A 24 -5.289 1.121 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.233 -0.158 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.260 2.685 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.857 1.612 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.112 2.369 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.590 3.180 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.357 1.933 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.503 1.468 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.222 3.922 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.234 4.501 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.990 3.732 0.878 1.00 0.00 H new ATOM 404 N ILE A 25 -9.331 0.008 -2.526 1.00 0.00 N ATOM 405 CA ILE A 25 -10.418 -0.184 -3.476 1.00 0.00 C ATOM 406 C ILE A 25 -11.606 0.698 -3.115 1.00 0.00 C ATOM 407 O ILE A 25 -11.903 0.901 -1.938 1.00 0.00 O ATOM 408 CB ILE A 25 -10.913 -1.643 -3.528 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.737 -2.598 -3.737 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.946 -1.796 -4.636 1.00 0.00 C ATOM 411 CD1 ILE A 25 -10.132 -3.984 -4.205 1.00 0.00 C ATOM 0 H ILE A 25 -9.590 -0.150 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.013 0.085 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.384 -1.896 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.056 -2.162 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.186 -2.687 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.293 -2.829 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.790 -1.135 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.495 -1.534 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.238 -4.595 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.788 -4.444 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.655 -3.911 -5.159 1.00 0.00 H new ATOM 423 N VAL A 26 -12.299 1.195 -4.129 1.00 0.00 N ATOM 424 CA VAL A 26 -13.479 2.028 -3.905 1.00 0.00 C ATOM 425 C VAL A 26 -14.681 1.447 -4.636 1.00 0.00 C ATOM 426 O VAL A 26 -14.691 1.366 -5.864 1.00 0.00 O ATOM 427 CB VAL A 26 -13.265 3.483 -4.367 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.538 4.289 -3.299 1.00 0.00 C ATOM 429 CG2 VAL A 26 -12.507 3.519 -5.681 1.00 0.00 C ATOM 0 H VAL A 26 -12.069 1.039 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.659 2.037 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.242 3.939 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.398 5.312 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.129 4.295 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.566 3.837 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.365 4.554 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.535 3.042 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.075 2.986 -6.444 1.00 0.00 H new ATOM 439 N ALA A 27 -15.690 1.031 -3.878 1.00 0.00 N ATOM 440 CA ALA A 27 -16.887 0.447 -4.469 1.00 0.00 C ATOM 441 C ALA A 27 -18.133 1.251 -4.130 1.00 0.00 C ATOM 442 O ALA A 27 -18.441 1.482 -2.962 1.00 0.00 O ATOM 443 CB ALA A 27 -17.044 -0.997 -4.015 1.00 0.00 C ATOM 0 H ALA A 27 -15.703 1.087 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.769 0.470 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.942 -1.424 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.173 -1.573 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.130 -1.030 -2.929 1.00 0.00 H new ATOM 449 N CYS A 28 -18.844 1.677 -5.167 1.00 0.00 N ATOM 450 CA CYS A 28 -20.058 2.464 -4.988 1.00 0.00 C ATOM 451 C CYS A 28 -21.154 1.999 -5.938 1.00 0.00 C ATOM 452 O CYS A 28 -20.876 1.426 -6.991 1.00 0.00 O ATOM 453 CB CYS A 28 -19.764 3.948 -5.214 1.00 0.00 C ATOM 454 SG CYS A 28 -21.139 5.046 -4.801 1.00 0.00 S ATOM 0 H CYS A 28 -18.601 1.491 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.407 2.321 -3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.896 4.230 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.495 4.099 -6.259 1.00 0.00 H new ATOM 0 HG CYS A 28 -20.792 6.279 -5.024 1.00 0.00 H new ATOM 460 N GLY A 29 -22.402 2.249 -5.559 1.00 0.00 N ATOM 461 CA GLY A 29 -23.522 1.850 -6.388 1.00 0.00 C ATOM 462 C GLY A 29 -23.492 2.504 -7.755 1.00 0.00 C ATOM 463 O GLY A 29 -23.462 1.818 -8.777 1.00 0.00 O ATOM 0 H GLY A 29 -22.658 2.721 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -23.515 0.766 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -24.453 2.109 -5.885 1.00 0.00 H new ATOM 467 N GLY A 30 -23.498 3.833 -7.774 1.00 0.00 N ATOM 468 CA GLY A 30 -23.470 4.556 -9.032 1.00 0.00 C ATOM 469 C GLY A 30 -22.064 4.937 -9.453 1.00 0.00 C ATOM 470 O GLY A 30 -21.091 4.571 -8.795 1.00 0.00 O ATOM 0 H GLY A 30 -23.522 4.422 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -23.925 3.943 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -24.076 5.458 -8.942 1.00 0.00 H new ATOM 474 N ALA A 31 -21.958 5.675 -10.553 1.00 0.00 N ATOM 475 CA ALA A 31 -20.662 6.105 -11.062 1.00 0.00 C ATOM 476 C ALA A 31 -20.743 7.509 -11.651 1.00 0.00 C ATOM 477 O ALA A 31 -20.833 7.679 -12.868 1.00 0.00 O ATOM 478 CB ALA A 31 -20.153 5.122 -12.104 1.00 0.00 C ATOM 0 H ALA A 31 -22.754 5.987 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.961 6.129 -10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.184 5.455 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.049 4.135 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.861 5.070 -12.931 1.00 0.00 H new ATOM 484 N VAL A 32 -20.707 8.513 -10.781 1.00 0.00 N ATOM 485 CA VAL A 32 -20.774 9.904 -11.213 1.00 0.00 C ATOM 486 C VAL A 32 -20.444 10.850 -10.064 1.00 0.00 C ATOM 487 O VAL A 32 -20.762 10.567 -8.909 1.00 0.00 O ATOM 488 CB VAL A 32 -22.166 10.250 -11.781 1.00 0.00 C ATOM 489 CG1 VAL A 32 -23.220 10.262 -10.681 1.00 0.00 C ATOM 490 CG2 VAL A 32 -22.129 11.584 -12.511 1.00 0.00 C ATOM 0 H VAL A 32 -20.632 8.389 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.033 10.030 -12.002 1.00 0.00 H new ATOM 0 HB VAL A 32 -22.441 9.475 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -24.191 10.509 -11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -23.269 9.279 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -22.955 11.007 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -23.120 11.811 -12.905 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -21.825 12.369 -11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -21.416 11.529 -13.333 1.00 0.00 H new ATOM 500 N ALA A 33 -19.807 11.976 -10.388 1.00 0.00 N ATOM 501 CA ALA A 33 -19.434 12.970 -9.383 1.00 0.00 C ATOM 502 C ALA A 33 -18.940 12.301 -8.102 1.00 0.00 C ATOM 503 O ALA A 33 -19.168 12.797 -6.997 1.00 0.00 O ATOM 504 CB ALA A 33 -20.610 13.888 -9.087 1.00 0.00 C ATOM 0 H ALA A 33 -19.539 12.222 -11.341 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.615 13.567 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -20.318 14.623 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.910 14.401 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.446 13.298 -8.711 1.00 0.00 H new ATOM 510 N THR A 34 -18.264 11.170 -8.265 1.00 0.00 N ATOM 511 CA THR A 34 -17.734 10.423 -7.132 1.00 0.00 C ATOM 512 C THR A 34 -16.379 9.811 -7.474 1.00 0.00 C ATOM 513 O THR A 34 -15.449 9.852 -6.670 1.00 0.00 O ATOM 514 CB THR A 34 -18.717 9.326 -6.715 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.033 9.842 -6.626 1.00 0.00 O ATOM 516 CG2 THR A 34 -18.381 8.695 -5.381 1.00 0.00 C ATOM 0 H THR A 34 -18.070 10.750 -9.174 1.00 0.00 H new ATOM 0 HA THR A 34 -17.600 11.114 -6.299 1.00 0.00 H new ATOM 0 HB THR A 34 -18.642 8.562 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.443 9.848 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.117 7.926 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.390 8.245 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.394 9.459 -4.604 1.00 0.00 H new ATOM 524 N SER A 35 -16.276 9.250 -8.674 1.00 0.00 N ATOM 525 CA SER A 35 -15.033 8.636 -9.126 1.00 0.00 C ATOM 526 C SER A 35 -13.935 9.685 -9.271 1.00 0.00 C ATOM 527 O SER A 35 -12.867 9.567 -8.670 1.00 0.00 O ATOM 528 CB SER A 35 -15.249 7.922 -10.461 1.00 0.00 C ATOM 529 OG SER A 35 -14.220 6.981 -10.709 1.00 0.00 O ATOM 0 H SER A 35 -17.038 9.208 -9.351 1.00 0.00 H new ATOM 0 HA SER A 35 -14.722 7.907 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.215 7.416 -10.454 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.278 8.654 -11.268 1.00 0.00 H new ATOM 0 HG SER A 35 -14.161 6.355 -9.957 1.00 0.00 H new ATOM 535 N THR A 36 -14.206 10.711 -10.070 1.00 0.00 N ATOM 536 CA THR A 36 -13.241 11.781 -10.291 1.00 0.00 C ATOM 537 C THR A 36 -12.887 12.475 -8.980 1.00 0.00 C ATOM 538 O THR A 36 -11.713 12.687 -8.678 1.00 0.00 O ATOM 539 CB THR A 36 -13.789 12.804 -11.291 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.042 12.386 -11.804 1.00 0.00 O ATOM 541 CG2 THR A 36 -12.868 13.040 -12.468 1.00 0.00 C ATOM 0 H THR A 36 -15.085 10.824 -10.575 1.00 0.00 H new ATOM 0 HA THR A 36 -12.336 11.334 -10.703 1.00 0.00 H new ATOM 0 HB THR A 36 -13.884 13.734 -10.730 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.375 13.054 -12.439 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.315 13.775 -13.138 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.908 13.412 -12.110 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.717 12.104 -13.005 1.00 0.00 H new ATOM 549 N MET A 37 -13.907 12.828 -8.203 1.00 0.00 N ATOM 550 CA MET A 37 -13.687 13.498 -6.927 1.00 0.00 C ATOM 551 C MET A 37 -12.798 12.655 -6.021 1.00 0.00 C ATOM 552 O MET A 37 -11.769 13.126 -5.541 1.00 0.00 O ATOM 553 CB MET A 37 -15.021 13.779 -6.229 1.00 0.00 C ATOM 554 CG MET A 37 -16.108 14.279 -7.166 1.00 0.00 C ATOM 555 SD MET A 37 -16.911 15.778 -6.568 1.00 0.00 S ATOM 556 CE MET A 37 -18.299 15.886 -7.694 1.00 0.00 C ATOM 0 H MET A 37 -14.887 12.662 -8.433 1.00 0.00 H new ATOM 0 HA MET A 37 -13.186 14.445 -7.127 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.365 12.867 -5.742 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.862 14.519 -5.444 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.675 14.471 -8.148 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.857 13.498 -7.296 1.00 0.00 H new ATOM 0 HE1 MET A 37 -18.380 16.904 -8.075 1.00 0.00 H new ATOM 0 HE2 MET A 37 -18.147 15.198 -8.526 1.00 0.00 H new ATOM 0 HE3 MET A 37 -19.216 15.622 -7.168 1.00 0.00 H new ATOM 566 N ALA A 38 -13.201 11.410 -5.792 1.00 0.00 N ATOM 567 CA ALA A 38 -12.435 10.507 -4.941 1.00 0.00 C ATOM 568 C ALA A 38 -11.074 10.194 -5.552 1.00 0.00 C ATOM 569 O ALA A 38 -10.037 10.455 -4.942 1.00 0.00 O ATOM 570 CB ALA A 38 -13.214 9.222 -4.699 1.00 0.00 C ATOM 0 H ALA A 38 -14.051 11.004 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.268 11.005 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.630 8.557 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.159 9.456 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.411 8.731 -5.652 1.00 0.00 H new ATOM 576 N ALA A 39 -11.079 9.642 -6.762 1.00 0.00 N ATOM 577 CA ALA A 39 -9.838 9.298 -7.452 1.00 0.00 C ATOM 578 C ALA A 39 -8.839 10.452 -7.404 1.00 0.00 C ATOM 579 O ALA A 39 -7.692 10.273 -6.997 1.00 0.00 O ATOM 580 CB ALA A 39 -10.125 8.908 -8.895 1.00 0.00 C ATOM 0 H ALA A 39 -11.927 9.423 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.393 8.446 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.191 8.654 -9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.792 8.046 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.598 9.744 -9.411 1.00 0.00 H new ATOM 586 N GLU A 40 -9.283 11.634 -7.820 1.00 0.00 N ATOM 587 CA GLU A 40 -8.424 12.811 -7.822 1.00 0.00 C ATOM 588 C GLU A 40 -8.033 13.211 -6.402 1.00 0.00 C ATOM 589 O GLU A 40 -6.896 13.612 -6.154 1.00 0.00 O ATOM 590 CB GLU A 40 -9.121 13.980 -8.524 1.00 0.00 C ATOM 591 CG GLU A 40 -8.160 14.936 -9.215 1.00 0.00 C ATOM 592 CD GLU A 40 -8.858 16.159 -9.778 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.808 15.989 -10.570 1.00 0.00 O ATOM 594 OE2 GLU A 40 -8.453 17.288 -9.427 1.00 0.00 O ATOM 0 H GLU A 40 -10.230 11.801 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.515 12.560 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.820 13.585 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.708 14.534 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.396 15.253 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.648 14.411 -10.021 1.00 0.00 H new ATOM 601 N GLU A 41 -8.977 13.101 -5.470 1.00 0.00 N ATOM 602 CA GLU A 41 -8.713 13.457 -4.079 1.00 0.00 C ATOM 603 C GLU A 41 -7.650 12.544 -3.479 1.00 0.00 C ATOM 604 O GLU A 41 -6.637 13.012 -2.962 1.00 0.00 O ATOM 605 CB GLU A 41 -9.995 13.362 -3.245 1.00 0.00 C ATOM 606 CG GLU A 41 -10.604 14.713 -2.902 1.00 0.00 C ATOM 607 CD GLU A 41 -10.770 14.914 -1.408 1.00 0.00 C ATOM 608 OE1 GLU A 41 -10.052 14.245 -0.634 1.00 0.00 O ATOM 609 OE2 GLU A 41 -11.618 15.741 -1.011 1.00 0.00 O ATOM 0 H GLU A 41 -9.925 12.771 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.350 14.484 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.730 12.770 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.778 12.826 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.972 15.505 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.576 14.803 -3.387 1.00 0.00 H new ATOM 616 N ILE A 42 -7.885 11.240 -3.556 1.00 0.00 N ATOM 617 CA ILE A 42 -6.944 10.266 -3.018 1.00 0.00 C ATOM 618 C ILE A 42 -5.595 10.364 -3.724 1.00 0.00 C ATOM 619 O ILE A 42 -4.550 10.096 -3.130 1.00 0.00 O ATOM 620 CB ILE A 42 -7.478 8.823 -3.143 1.00 0.00 C ATOM 621 CG1 ILE A 42 -8.930 8.737 -2.657 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.594 7.859 -2.362 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.087 8.925 -1.163 1.00 0.00 C ATOM 0 H ILE A 42 -8.717 10.833 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.820 10.500 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.454 8.539 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.521 9.493 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.340 7.767 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.984 6.846 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.578 7.896 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.586 8.144 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.141 8.851 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.524 8.153 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.709 9.907 -0.878 1.00 0.00 H new ATOM 635 N LYS A 43 -5.625 10.749 -4.997 1.00 0.00 N ATOM 636 CA LYS A 43 -4.401 10.880 -5.781 1.00 0.00 C ATOM 637 C LYS A 43 -3.575 12.074 -5.312 1.00 0.00 C ATOM 638 O LYS A 43 -2.393 11.936 -4.993 1.00 0.00 O ATOM 639 CB LYS A 43 -4.730 11.021 -7.270 1.00 0.00 C ATOM 640 CG LYS A 43 -4.543 9.736 -8.066 1.00 0.00 C ATOM 641 CD LYS A 43 -3.120 9.205 -7.959 1.00 0.00 C ATOM 642 CE LYS A 43 -2.164 9.980 -8.848 1.00 0.00 C ATOM 643 NZ LYS A 43 -0.817 9.349 -8.898 1.00 0.00 N ATOM 0 H LYS A 43 -6.480 10.975 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.811 9.975 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.762 11.355 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.099 11.799 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.241 8.980 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.785 9.919 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.785 9.267 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.103 8.151 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.574 10.040 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.073 11.002 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.194 9.908 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.414 9.314 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.900 8.383 -9.274 1.00 0.00 H new ATOM 657 N GLU A 44 -4.202 13.247 -5.269 1.00 0.00 N ATOM 658 CA GLU A 44 -3.522 14.465 -4.836 1.00 0.00 C ATOM 659 C GLU A 44 -2.832 14.250 -3.491 1.00 0.00 C ATOM 660 O GLU A 44 -1.758 14.792 -3.234 1.00 0.00 O ATOM 661 CB GLU A 44 -4.528 15.622 -4.742 1.00 0.00 C ATOM 662 CG GLU A 44 -4.171 16.683 -3.707 1.00 0.00 C ATOM 663 CD GLU A 44 -5.278 17.700 -3.503 1.00 0.00 C ATOM 664 OE1 GLU A 44 -6.428 17.282 -3.250 1.00 0.00 O ATOM 665 OE2 GLU A 44 -4.994 18.913 -3.593 1.00 0.00 O ATOM 0 H GLU A 44 -5.179 13.380 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.759 14.718 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.609 16.098 -5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.511 15.215 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.950 16.197 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.263 17.199 -4.020 1.00 0.00 H new ATOM 672 N LEU A 45 -3.465 13.459 -2.635 1.00 0.00 N ATOM 673 CA LEU A 45 -2.920 13.172 -1.317 1.00 0.00 C ATOM 674 C LEU A 45 -1.630 12.370 -1.423 1.00 0.00 C ATOM 675 O LEU A 45 -0.625 12.701 -0.793 1.00 0.00 O ATOM 676 CB LEU A 45 -3.950 12.411 -0.484 1.00 0.00 C ATOM 677 CG LEU A 45 -4.869 13.295 0.358 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.113 13.860 1.545 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.450 14.421 -0.485 1.00 0.00 C ATOM 0 H LEU A 45 -4.357 13.005 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.690 14.117 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.563 11.806 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.425 11.722 0.178 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.692 12.683 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.780 14.488 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.742 13.042 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.273 14.457 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.102 15.039 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.640 15.033 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.025 13.999 -1.309 1.00 0.00 H new ATOM 691 N CYS A 46 -1.670 11.312 -2.222 1.00 0.00 N ATOM 692 CA CYS A 46 -0.505 10.455 -2.415 1.00 0.00 C ATOM 693 C CYS A 46 0.715 11.268 -2.838 1.00 0.00 C ATOM 694 O CYS A 46 1.828 11.023 -2.371 1.00 0.00 O ATOM 695 CB CYS A 46 -0.803 9.380 -3.460 1.00 0.00 C ATOM 696 SG CYS A 46 -1.136 7.750 -2.756 1.00 0.00 S ATOM 0 H CYS A 46 -2.496 11.026 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.282 9.975 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.663 9.692 -4.053 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.044 9.305 -4.142 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.045 7.271 -2.235 1.00 0.00 H new ATOM 702 N GLN A 47 0.499 12.235 -3.722 1.00 0.00 N ATOM 703 CA GLN A 47 1.585 13.081 -4.206 1.00 0.00 C ATOM 704 C GLN A 47 2.014 14.085 -3.142 1.00 0.00 C ATOM 705 O GLN A 47 3.173 14.498 -3.099 1.00 0.00 O ATOM 706 CB GLN A 47 1.161 13.817 -5.481 1.00 0.00 C ATOM 707 CG GLN A 47 0.100 14.883 -5.255 1.00 0.00 C ATOM 708 CD GLN A 47 0.001 15.861 -6.409 1.00 0.00 C ATOM 709 OE1 GLN A 47 0.088 17.075 -6.219 1.00 0.00 O ATOM 710 NE2 GLN A 47 -0.184 15.336 -7.614 1.00 0.00 N ATOM 0 H GLN A 47 -0.415 12.453 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 47 2.435 12.438 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.039 14.282 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.784 13.090 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.867 14.402 -5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.328 15.429 -4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.250 14.324 -7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.260 15.944 -8.429 1.00 0.00 H new ATOM 719 N SER A 48 1.075 14.478 -2.286 1.00 0.00 N ATOM 720 CA SER A 48 1.363 15.437 -1.227 1.00 0.00 C ATOM 721 C SER A 48 2.482 14.930 -0.322 1.00 0.00 C ATOM 722 O SER A 48 3.404 15.672 0.016 1.00 0.00 O ATOM 723 CB SER A 48 0.105 15.706 -0.400 1.00 0.00 C ATOM 724 OG SER A 48 -0.078 14.709 0.589 1.00 0.00 O ATOM 0 H SER A 48 0.110 14.147 -2.306 1.00 0.00 H new ATOM 0 HA SER A 48 1.690 16.367 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.181 16.684 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.765 15.736 -1.056 1.00 0.00 H new ATOM 0 HG SER A 48 -0.652 13.998 0.235 1.00 0.00 H new ATOM 730 N HIS A 49 2.392 13.664 0.070 1.00 0.00 N ATOM 731 CA HIS A 49 3.398 13.059 0.937 1.00 0.00 C ATOM 732 C HIS A 49 4.282 12.079 0.167 1.00 0.00 C ATOM 733 O HIS A 49 5.081 11.357 0.762 1.00 0.00 O ATOM 734 CB HIS A 49 2.726 12.342 2.111 1.00 0.00 C ATOM 735 CG HIS A 49 2.657 13.171 3.357 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.522 13.274 4.132 1.00 0.00 N ATOM 737 CD2 HIS A 49 3.594 13.940 3.962 1.00 0.00 C ATOM 738 CE1 HIS A 49 1.759 14.070 5.158 1.00 0.00 C ATOM 739 NE2 HIS A 49 3.010 14.487 5.079 1.00 0.00 N ATOM 0 H HIS A 49 1.634 13.037 -0.198 1.00 0.00 H new ATOM 0 HA HIS A 49 4.031 13.860 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.716 12.053 1.820 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.271 11.423 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.610 14.094 3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.051 14.335 5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.468 15.114 5.740 1.00 0.00 H new ATOM 748 N ASN A 50 4.135 12.054 -1.156 1.00 0.00 N ATOM 749 CA ASN A 50 4.924 11.159 -1.997 1.00 0.00 C ATOM 750 C ASN A 50 4.840 9.721 -1.489 1.00 0.00 C ATOM 751 O ASN A 50 5.861 9.082 -1.232 1.00 0.00 O ATOM 752 CB ASN A 50 6.383 11.616 -2.037 1.00 0.00 C ATOM 753 CG ASN A 50 6.632 12.659 -3.107 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.433 12.406 -4.296 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.071 13.841 -2.690 1.00 0.00 N ATOM 0 H ASN A 50 3.478 12.643 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 50 4.514 11.193 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.660 12.023 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.026 10.754 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.257 14.583 -3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.222 14.007 -1.695 1.00 0.00 H new ATOM 762 N ILE A 51 3.617 9.223 -1.345 1.00 0.00 N ATOM 763 CA ILE A 51 3.397 7.863 -0.866 1.00 0.00 C ATOM 764 C ILE A 51 2.877 6.964 -1.984 1.00 0.00 C ATOM 765 O ILE A 51 1.676 6.931 -2.252 1.00 0.00 O ATOM 766 CB ILE A 51 2.394 7.835 0.305 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.673 8.983 1.278 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.459 6.495 1.023 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.752 8.998 2.479 1.00 0.00 C ATOM 0 H ILE A 51 2.763 9.740 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 51 4.361 7.490 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 51 1.388 7.964 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.705 8.913 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.578 9.930 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.746 6.489 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.213 5.695 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.465 6.339 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.009 9.838 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.720 9.099 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.864 8.067 3.035 1.00 0.00 H new ATOM 781 N PRO A 52 3.775 6.224 -2.658 1.00 0.00 N ATOM 782 CA PRO A 52 3.393 5.324 -3.752 1.00 0.00 C ATOM 783 C PRO A 52 2.283 4.358 -3.345 1.00 0.00 C ATOM 784 O PRO A 52 2.468 3.514 -2.468 1.00 0.00 O ATOM 785 CB PRO A 52 4.684 4.561 -4.057 1.00 0.00 C ATOM 786 CG PRO A 52 5.776 5.465 -3.600 1.00 0.00 C ATOM 787 CD PRO A 52 5.229 6.207 -2.411 1.00 0.00 C ATOM 0 HA PRO A 52 2.996 5.869 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.714 3.607 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.772 4.341 -5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.666 4.896 -3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.067 6.156 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.472 5.702 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.637 7.216 -2.344 1.00 0.00 H new ATOM 795 N VAL A 53 1.127 4.495 -3.988 1.00 0.00 N ATOM 796 CA VAL A 53 -0.025 3.644 -3.701 1.00 0.00 C ATOM 797 C VAL A 53 -0.884 3.474 -4.951 1.00 0.00 C ATOM 798 O VAL A 53 -0.823 4.291 -5.869 1.00 0.00 O ATOM 799 CB VAL A 53 -0.898 4.238 -2.572 1.00 0.00 C ATOM 800 CG1 VAL A 53 -2.058 3.317 -2.235 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.065 4.518 -1.329 1.00 0.00 C ATOM 0 H VAL A 53 0.962 5.191 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 53 0.358 2.676 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.306 5.182 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.655 3.760 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.680 3.177 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.673 2.352 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.703 4.935 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.382 3.589 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.724 5.230 -1.572 1.00 0.00 H new ATOM 811 N GLU A 54 -1.689 2.417 -4.981 1.00 0.00 N ATOM 812 CA GLU A 54 -2.561 2.164 -6.125 1.00 0.00 C ATOM 813 C GLU A 54 -4.011 2.010 -5.677 1.00 0.00 C ATOM 814 O GLU A 54 -4.348 1.095 -4.924 1.00 0.00 O ATOM 815 CB GLU A 54 -2.116 0.912 -6.894 1.00 0.00 C ATOM 816 CG GLU A 54 -0.615 0.660 -6.864 1.00 0.00 C ATOM 817 CD GLU A 54 -0.027 0.469 -8.249 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.796 0.158 -9.183 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.203 0.630 -8.400 1.00 0.00 O ATOM 0 H GLU A 54 -1.757 1.726 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.487 3.024 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.627 0.044 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.437 1.004 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.119 1.499 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.411 -0.225 -6.262 1.00 0.00 H new ATOM 826 N LEU A 55 -4.868 2.919 -6.137 1.00 0.00 N ATOM 827 CA LEU A 55 -6.281 2.890 -5.784 1.00 0.00 C ATOM 828 C LEU A 55 -7.114 2.290 -6.913 1.00 0.00 C ATOM 829 O LEU A 55 -7.096 2.776 -8.044 1.00 0.00 O ATOM 830 CB LEU A 55 -6.771 4.303 -5.460 1.00 0.00 C ATOM 831 CG LEU A 55 -8.257 4.412 -5.119 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.488 4.155 -3.638 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.792 5.781 -5.512 1.00 0.00 C ATOM 0 H LEU A 55 -4.605 3.686 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.400 2.260 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.192 4.688 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.562 4.948 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.796 3.653 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.552 4.237 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.141 3.153 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.937 4.890 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.851 5.843 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.246 6.554 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.662 5.928 -6.584 1.00 0.00 H new ATOM 845 N ILE A 56 -7.837 1.224 -6.593 1.00 0.00 N ATOM 846 CA ILE A 56 -8.683 0.530 -7.564 1.00 0.00 C ATOM 847 C ILE A 56 -10.156 0.818 -7.299 1.00 0.00 C ATOM 848 O ILE A 56 -10.553 1.062 -6.162 1.00 0.00 O ATOM 849 CB ILE A 56 -8.449 -1.000 -7.545 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.732 -1.413 -6.260 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.651 -1.434 -8.769 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.447 -2.897 -6.165 1.00 0.00 C ATOM 0 H ILE A 56 -7.856 0.815 -5.659 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.408 0.907 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.418 -1.499 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.791 -0.867 -6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.339 -1.114 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.496 -2.513 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.200 -1.172 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.685 -0.929 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.937 -3.110 -5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.385 -3.451 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.813 -3.200 -6.999 1.00 0.00 H new ATOM 864 N GLN A 57 -10.968 0.795 -8.350 1.00 0.00 N ATOM 865 CA GLN A 57 -12.396 1.055 -8.211 1.00 0.00 C ATOM 866 C GLN A 57 -13.203 -0.095 -8.810 1.00 0.00 C ATOM 867 O GLN A 57 -12.957 -0.511 -9.942 1.00 0.00 O ATOM 868 CB GLN A 57 -12.768 2.375 -8.894 1.00 0.00 C ATOM 869 CG GLN A 57 -11.705 3.458 -8.764 1.00 0.00 C ATOM 870 CD GLN A 57 -11.656 4.379 -9.966 1.00 0.00 C ATOM 871 OE1 GLN A 57 -12.654 5.003 -10.325 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.489 4.472 -10.591 1.00 0.00 N ATOM 0 H GLN A 57 -10.664 0.600 -9.304 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.633 1.134 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.953 2.186 -9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.701 2.743 -8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.901 4.047 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.730 2.990 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.688 3.936 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.393 5.080 -11.405 1.00 0.00 H new ATOM 881 N CYS A 58 -14.158 -0.616 -8.042 1.00 0.00 N ATOM 882 CA CYS A 58 -14.986 -1.730 -8.500 1.00 0.00 C ATOM 883 C CYS A 58 -16.355 -1.713 -7.823 1.00 0.00 C ATOM 884 O CYS A 58 -16.566 -0.985 -6.858 1.00 0.00 O ATOM 885 CB CYS A 58 -14.290 -3.056 -8.213 1.00 0.00 C ATOM 886 SG CYS A 58 -12.975 -3.478 -9.379 1.00 0.00 S ATOM 0 H CYS A 58 -14.377 -0.286 -7.102 1.00 0.00 H new ATOM 0 HA CYS A 58 -15.130 -1.620 -9.575 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.870 -3.022 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.035 -3.852 -8.220 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.574 -2.402 -9.989 1.00 0.00 H new ATOM 892 N ARG A 59 -17.283 -2.523 -8.327 1.00 0.00 N ATOM 893 CA ARG A 59 -18.630 -2.603 -7.766 1.00 0.00 C ATOM 894 C ARG A 59 -18.621 -3.279 -6.391 1.00 0.00 C ATOM 895 O ARG A 59 -17.571 -3.418 -5.764 1.00 0.00 O ATOM 896 CB ARG A 59 -19.546 -3.371 -8.728 1.00 0.00 C ATOM 897 CG ARG A 59 -20.039 -2.535 -9.896 1.00 0.00 C ATOM 898 CD ARG A 59 -18.937 -2.303 -10.916 1.00 0.00 C ATOM 899 NE ARG A 59 -19.454 -2.269 -12.283 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.371 -1.211 -13.090 1.00 0.00 C ATOM 901 NH1 ARG A 59 -18.787 -0.090 -12.681 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.873 -1.273 -14.316 1.00 0.00 N ATOM 0 H ARG A 59 -17.126 -3.136 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.008 -1.589 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.009 -4.238 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.405 -3.749 -8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.880 -3.036 -10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.406 -1.576 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.432 -1.363 -10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.191 -3.093 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.907 -3.109 -12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.396 -0.032 -11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.729 0.713 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.322 -2.129 -14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.810 -0.464 -14.934 1.00 0.00 H new ATOM 916 N VAL A 60 -19.800 -3.702 -5.936 1.00 0.00 N ATOM 917 CA VAL A 60 -19.935 -4.359 -4.638 1.00 0.00 C ATOM 918 C VAL A 60 -19.646 -5.861 -4.714 1.00 0.00 C ATOM 919 O VAL A 60 -19.594 -6.537 -3.688 1.00 0.00 O ATOM 920 CB VAL A 60 -21.344 -4.145 -4.049 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.641 -2.661 -3.909 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.401 -4.826 -4.909 1.00 0.00 C ATOM 0 H VAL A 60 -20.676 -3.601 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.193 -3.899 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.372 -4.598 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.639 -2.527 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.907 -2.204 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.591 -2.186 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.386 -4.661 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.375 -4.409 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.199 -5.896 -4.954 1.00 0.00 H new ATOM 932 N ASN A 61 -19.465 -6.382 -5.925 1.00 0.00 N ATOM 933 CA ASN A 61 -19.188 -7.806 -6.102 1.00 0.00 C ATOM 934 C ASN A 61 -17.887 -8.022 -6.863 1.00 0.00 C ATOM 935 O ASN A 61 -17.790 -8.910 -7.712 1.00 0.00 O ATOM 936 CB ASN A 61 -20.344 -8.485 -6.839 1.00 0.00 C ATOM 937 CG ASN A 61 -20.777 -9.774 -6.167 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.418 -10.866 -6.607 1.00 0.00 O ATOM 939 ND2 ASN A 61 -21.549 -9.651 -5.094 1.00 0.00 N ATOM 0 H ASN A 61 -19.504 -5.846 -6.792 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.084 -8.253 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.192 -7.801 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.044 -8.696 -7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.869 -10.483 -4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -21.822 -8.725 -4.765 1.00 0.00 H new ATOM 946 N GLU A 62 -16.889 -7.204 -6.557 1.00 0.00 N ATOM 947 CA GLU A 62 -15.594 -7.303 -7.215 1.00 0.00 C ATOM 948 C GLU A 62 -14.449 -7.238 -6.208 1.00 0.00 C ATOM 949 O GLU A 62 -13.404 -7.854 -6.405 1.00 0.00 O ATOM 950 CB GLU A 62 -15.434 -6.184 -8.237 1.00 0.00 C ATOM 951 CG GLU A 62 -16.645 -5.991 -9.135 1.00 0.00 C ATOM 952 CD GLU A 62 -16.367 -6.357 -10.580 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.524 -7.545 -10.931 1.00 0.00 O ATOM 954 OE2 GLU A 62 -15.993 -5.456 -11.358 1.00 0.00 O ATOM 0 H GLU A 62 -16.952 -6.465 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.555 -8.269 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.232 -5.251 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.563 -6.395 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.469 -6.600 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.968 -4.951 -9.084 1.00 0.00 H new ATOM 961 N ILE A 63 -14.640 -6.490 -5.129 1.00 0.00 N ATOM 962 CA ILE A 63 -13.600 -6.356 -4.118 1.00 0.00 C ATOM 963 C ILE A 63 -13.097 -7.721 -3.670 1.00 0.00 C ATOM 964 O ILE A 63 -11.899 -7.916 -3.487 1.00 0.00 O ATOM 965 CB ILE A 63 -14.109 -5.579 -2.888 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.588 -4.186 -3.300 1.00 0.00 C ATOM 967 CG2 ILE A 63 -13.020 -5.483 -1.825 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.083 -3.353 -2.140 1.00 0.00 C ATOM 0 H ILE A 63 -15.496 -5.972 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.781 -5.800 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.953 -6.121 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.770 -3.660 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.389 -4.287 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -13.399 -4.931 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.727 -6.485 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -12.154 -4.964 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.407 -2.378 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -15.922 -3.858 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.278 -3.221 -1.417 1.00 0.00 H new ATOM 980 N GLU A 64 -14.020 -8.664 -3.505 1.00 0.00 N ATOM 981 CA GLU A 64 -13.664 -10.014 -3.083 1.00 0.00 C ATOM 982 C GLU A 64 -12.888 -10.748 -4.176 1.00 0.00 C ATOM 983 O GLU A 64 -11.951 -11.491 -3.886 1.00 0.00 O ATOM 984 CB GLU A 64 -14.920 -10.800 -2.704 1.00 0.00 C ATOM 985 CG GLU A 64 -15.502 -10.395 -1.359 1.00 0.00 C ATOM 986 CD GLU A 64 -16.955 -10.802 -1.204 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.249 -12.008 -1.335 1.00 0.00 O ATOM 988 OE2 GLU A 64 -17.796 -9.916 -0.948 1.00 0.00 O ATOM 0 H GLU A 64 -15.018 -8.518 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.019 -9.935 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.676 -10.658 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.682 -11.863 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.914 -10.850 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.417 -9.315 -1.241 1.00 0.00 H new ATOM 995 N THR A 65 -13.277 -10.540 -5.433 1.00 0.00 N ATOM 996 CA THR A 65 -12.599 -11.194 -6.553 1.00 0.00 C ATOM 997 C THR A 65 -11.232 -10.568 -6.804 1.00 0.00 C ATOM 998 O THR A 65 -10.251 -11.274 -7.039 1.00 0.00 O ATOM 999 CB THR A 65 -13.438 -11.120 -7.834 1.00 0.00 C ATOM 1000 OG1 THR A 65 -13.893 -9.801 -8.075 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.647 -12.030 -7.816 1.00 0.00 C ATOM 0 H THR A 65 -14.050 -9.931 -5.701 1.00 0.00 H new ATOM 0 HA THR A 65 -12.467 -12.241 -6.281 1.00 0.00 H new ATOM 0 HB THR A 65 -12.767 -11.450 -8.627 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.255 -9.336 -8.656 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.194 -11.926 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.323 -13.064 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.296 -11.756 -6.984 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.168 -9.242 -6.749 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.910 -8.536 -6.967 1.00 0.00 C ATOM 1011 C TYR A 66 -9.155 -8.331 -5.650 1.00 0.00 C ATOM 1012 O TYR A 66 -8.160 -7.606 -5.604 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.164 -7.187 -7.651 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.886 -7.297 -8.981 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -12.256 -7.522 -9.036 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.198 -7.173 -10.184 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.919 -7.621 -10.244 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -10.855 -7.271 -11.397 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.215 -7.495 -11.421 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.875 -7.593 -12.626 1.00 0.00 O ATOM 0 H TYR A 66 -11.967 -8.637 -6.557 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.290 -9.150 -7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.750 -6.556 -6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.209 -6.685 -7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.814 -7.621 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.132 -6.997 -10.170 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.984 -7.796 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.305 -7.172 -12.321 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.235 -7.480 -13.360 1.00 0.00 H new ATOM 1030 N MET A 67 -9.619 -8.988 -4.583 1.00 0.00 N ATOM 1031 CA MET A 67 -8.969 -8.892 -3.274 1.00 0.00 C ATOM 1032 C MET A 67 -7.694 -9.736 -3.218 1.00 0.00 C ATOM 1033 O MET A 67 -7.514 -10.534 -2.297 1.00 0.00 O ATOM 1034 CB MET A 67 -9.926 -9.331 -2.159 1.00 0.00 C ATOM 1035 CG MET A 67 -9.920 -8.402 -0.956 1.00 0.00 C ATOM 1036 SD MET A 67 -8.280 -8.224 -0.227 1.00 0.00 S ATOM 1037 CE MET A 67 -8.501 -9.086 1.328 1.00 0.00 C ATOM 0 H MET A 67 -10.441 -9.591 -4.600 1.00 0.00 H new ATOM 0 HA MET A 67 -8.698 -7.847 -3.124 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.938 -9.387 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.656 -10.336 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.288 -7.421 -1.257 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.609 -8.784 -0.203 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.569 -9.061 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.288 -8.600 1.905 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.780 -10.122 1.133 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.816 -9.575 -4.201 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.578 -10.345 -4.240 1.00 0.00 C ATOM 1049 C ASP A 68 -4.465 -9.642 -3.471 1.00 0.00 C ATOM 1050 O ASP A 68 -3.697 -10.280 -2.751 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.148 -10.585 -5.689 1.00 0.00 C ATOM 1052 CG ASP A 68 -5.353 -12.024 -6.117 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.271 -12.678 -5.577 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -4.596 -12.499 -6.990 1.00 0.00 O ATOM 0 H ASP A 68 -6.936 -8.923 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.765 -11.306 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.715 -9.928 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.097 -10.320 -5.803 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.383 -8.326 -3.626 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.360 -7.563 -2.937 1.00 0.00 C ATOM 1061 C GLY A 69 -3.852 -6.202 -2.493 1.00 0.00 C ATOM 1062 O GLY A 69 -3.169 -5.195 -2.681 1.00 0.00 O ATOM 0 H GLY A 69 -5.006 -7.774 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.017 -8.123 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.500 -7.438 -3.595 1.00 0.00 H new ATOM 1066 N VAL A 70 -5.041 -6.168 -1.901 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.622 -4.919 -1.430 1.00 0.00 C ATOM 1068 C VAL A 70 -5.203 -4.619 0.004 1.00 0.00 C ATOM 1069 O VAL A 70 -5.302 -5.475 0.882 1.00 0.00 O ATOM 1070 CB VAL A 70 -7.158 -4.938 -1.498 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.708 -3.546 -1.246 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.631 -5.469 -2.842 1.00 0.00 C ATOM 0 H VAL A 70 -5.620 -6.991 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.246 -4.140 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.533 -5.606 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.797 -3.570 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.398 -3.206 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.325 -2.861 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.721 -5.474 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.252 -4.830 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.260 -6.484 -2.983 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.732 -3.400 0.233 1.00 0.00 N ATOM 1083 CA HIS A 71 -4.295 -2.986 1.560 1.00 0.00 C ATOM 1084 C HIS A 71 -5.432 -2.331 2.339 1.00 0.00 C ATOM 1085 O HIS A 71 -5.462 -2.387 3.568 1.00 0.00 O ATOM 1086 CB HIS A 71 -3.115 -2.021 1.454 1.00 0.00 C ATOM 1087 CG HIS A 71 -2.504 -1.669 2.774 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.518 -2.422 3.372 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -2.735 -0.630 3.609 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -1.170 -1.863 4.517 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -1.893 -0.771 4.683 1.00 0.00 N ATOM 0 H HIS A 71 -4.643 -2.680 -0.484 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.981 -3.879 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.350 -2.465 0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.448 -1.107 0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.451 0.165 3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.422 -2.236 5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.835 -0.136 5.479 1.00 0.00 H new ATOM 1100 N LEU A 72 -6.374 -1.718 1.622 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.521 -1.062 2.253 1.00 0.00 C ATOM 1102 C LEU A 72 -8.735 -1.108 1.323 1.00 0.00 C ATOM 1103 O LEU A 72 -8.607 -0.940 0.114 1.00 0.00 O ATOM 1104 CB LEU A 72 -7.200 0.400 2.605 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.871 0.640 3.336 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.130 1.829 2.740 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.108 0.861 4.824 1.00 0.00 C ATOM 0 H LEU A 72 -6.366 -1.662 0.604 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.747 -1.600 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.195 0.982 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.008 0.790 3.224 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.254 -0.249 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.192 1.978 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.921 1.637 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.746 2.724 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.154 1.029 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.750 1.731 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.590 -0.019 5.250 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.913 -1.341 1.889 1.00 0.00 N ATOM 1120 CA ILE A 73 -11.138 -1.407 1.096 1.00 0.00 C ATOM 1121 C ILE A 73 -12.141 -0.354 1.558 1.00 0.00 C ATOM 1122 O ILE A 73 -12.331 -0.144 2.754 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.781 -2.812 1.180 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.990 -3.808 0.340 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -13.241 -2.798 0.730 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.755 -4.339 1.036 1.00 0.00 C ATOM 0 H ILE A 73 -10.048 -1.487 2.889 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.868 -1.208 0.059 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.756 -3.118 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -11.637 -4.645 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.694 -3.329 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.654 -3.804 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.812 -2.123 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.300 -2.457 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.242 -5.042 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.087 -3.511 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.046 -4.847 1.956 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.791 0.297 0.601 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.783 1.313 0.924 1.00 0.00 C ATOM 1140 C CYS A 74 -15.102 1.032 0.213 1.00 0.00 C ATOM 1141 O CYS A 74 -15.237 1.272 -0.987 1.00 0.00 O ATOM 1142 CB CYS A 74 -13.270 2.699 0.535 1.00 0.00 C ATOM 1143 SG CYS A 74 -13.883 4.032 1.591 1.00 0.00 S ATOM 0 H CYS A 74 -12.650 0.141 -0.397 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.956 1.285 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.181 2.695 0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.557 2.905 -0.496 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.394 5.166 1.186 1.00 0.00 H new ATOM 1149 N THR A 75 -16.074 0.528 0.964 1.00 0.00 N ATOM 1150 CA THR A 75 -17.388 0.220 0.407 1.00 0.00 C ATOM 1151 C THR A 75 -18.501 0.784 1.289 1.00 0.00 C ATOM 1152 O THR A 75 -18.352 0.881 2.508 1.00 0.00 O ATOM 1153 CB THR A 75 -17.556 -1.292 0.254 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.300 -1.918 0.068 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.440 -1.682 -0.911 1.00 0.00 C ATOM 0 H THR A 75 -15.979 0.324 1.959 1.00 0.00 H new ATOM 0 HA THR A 75 -17.459 0.688 -0.575 1.00 0.00 H new ATOM 0 HB THR A 75 -18.032 -1.625 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.373 -2.870 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.517 -2.768 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.433 -1.254 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.008 -1.305 -1.838 1.00 0.00 H new ATOM 1163 N THR A 76 -19.616 1.152 0.665 1.00 0.00 N ATOM 1164 CA THR A 76 -20.755 1.704 1.390 1.00 0.00 C ATOM 1165 C THR A 76 -21.433 0.628 2.230 1.00 0.00 C ATOM 1166 O THR A 76 -22.534 0.176 1.912 1.00 0.00 O ATOM 1167 CB THR A 76 -21.763 2.325 0.415 1.00 0.00 C ATOM 1168 OG1 THR A 76 -21.402 2.051 -0.928 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.888 3.826 0.563 1.00 0.00 C ATOM 0 H THR A 76 -19.755 1.078 -0.343 1.00 0.00 H new ATOM 0 HA THR A 76 -20.387 2.483 2.057 1.00 0.00 H new ATOM 0 HB THR A 76 -22.722 1.870 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.059 2.455 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 76 -22.616 4.203 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.218 4.066 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.920 4.292 0.377 1.00 0.00 H new ATOM 1177 N ALA A 77 -20.768 0.222 3.307 1.00 0.00 N ATOM 1178 CA ALA A 77 -21.300 -0.801 4.199 1.00 0.00 C ATOM 1179 C ALA A 77 -21.868 -1.979 3.411 1.00 0.00 C ATOM 1180 O ALA A 77 -21.265 -2.424 2.433 1.00 0.00 O ATOM 1181 CB ALA A 77 -22.355 -0.195 5.120 1.00 0.00 C ATOM 0 H ALA A 77 -19.857 0.588 3.583 1.00 0.00 H new ATOM 0 HA ALA A 77 -20.484 -1.184 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.746 -0.967 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -21.905 0.600 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -23.168 0.216 4.521 1.00 0.00 H new ATOM 1187 N ARG A 78 -23.023 -2.485 3.834 1.00 0.00 N ATOM 1188 CA ARG A 78 -23.664 -3.609 3.164 1.00 0.00 C ATOM 1189 C ARG A 78 -22.972 -4.922 3.512 1.00 0.00 C ATOM 1190 O ARG A 78 -23.611 -5.869 3.972 1.00 0.00 O ATOM 1191 CB ARG A 78 -23.669 -3.404 1.645 1.00 0.00 C ATOM 1192 CG ARG A 78 -24.763 -4.178 0.925 1.00 0.00 C ATOM 1193 CD ARG A 78 -26.112 -3.485 1.052 1.00 0.00 C ATOM 1194 NE ARG A 78 -26.827 -3.442 -0.223 1.00 0.00 N ATOM 1195 CZ ARG A 78 -27.448 -2.361 -0.697 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -27.455 -1.227 -0.006 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -28.068 -2.415 -1.867 1.00 0.00 N ATOM 0 H ARG A 78 -23.535 -2.131 4.642 1.00 0.00 H new ATOM 0 HA ARG A 78 -24.695 -3.660 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -23.788 -2.342 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -22.701 -3.704 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -24.504 -4.282 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -24.830 -5.185 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.720 -4.007 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -25.965 -2.470 1.420 1.00 0.00 H new ATOM 0 HE ARG A 78 -26.852 -4.293 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -26.982 -1.177 0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -27.933 -0.406 -0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -28.070 -3.282 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -28.543 -1.589 -2.231 1.00 0.00 H new ATOM 1211 N VAL A 79 -21.661 -4.974 3.291 1.00 0.00 N ATOM 1212 CA VAL A 79 -20.884 -6.168 3.585 1.00 0.00 C ATOM 1213 C VAL A 79 -20.857 -6.448 5.086 1.00 0.00 C ATOM 1214 O VAL A 79 -21.412 -5.686 5.879 1.00 0.00 O ATOM 1215 CB VAL A 79 -19.438 -6.039 3.064 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -19.430 -5.912 1.548 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -18.737 -4.851 3.709 1.00 0.00 C ATOM 0 H VAL A 79 -21.117 -4.201 2.909 1.00 0.00 H new ATOM 0 HA VAL A 79 -21.369 -7.000 3.074 1.00 0.00 H new ATOM 0 HB VAL A 79 -18.892 -6.942 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.402 -5.822 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.889 -6.797 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -19.993 -5.026 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -17.719 -4.778 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -19.279 -3.936 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.711 -4.987 4.790 1.00 0.00 H new ATOM 1227 N ASP A 80 -20.215 -7.547 5.469 1.00 0.00 N ATOM 1228 CA ASP A 80 -20.123 -7.930 6.875 1.00 0.00 C ATOM 1229 C ASP A 80 -18.755 -7.579 7.461 1.00 0.00 C ATOM 1230 O ASP A 80 -18.600 -7.481 8.677 1.00 0.00 O ATOM 1231 CB ASP A 80 -20.386 -9.430 7.030 1.00 0.00 C ATOM 1232 CG ASP A 80 -21.511 -9.723 8.003 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -21.400 -9.317 9.178 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -22.503 -10.358 7.587 1.00 0.00 O ATOM 0 H ASP A 80 -19.751 -8.188 4.826 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.880 -7.370 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.631 -9.855 6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.476 -9.922 7.373 1.00 0.00 H new ATOM 1239 N ARG A 81 -17.767 -7.392 6.590 1.00 0.00 N ATOM 1240 CA ARG A 81 -16.413 -7.056 7.023 1.00 0.00 C ATOM 1241 C ARG A 81 -15.929 -8.022 8.102 1.00 0.00 C ATOM 1242 O ARG A 81 -15.194 -7.636 9.011 1.00 0.00 O ATOM 1243 CB ARG A 81 -16.358 -5.618 7.544 1.00 0.00 C ATOM 1244 CG ARG A 81 -17.195 -4.640 6.731 1.00 0.00 C ATOM 1245 CD ARG A 81 -17.987 -3.697 7.624 1.00 0.00 C ATOM 1246 NE ARG A 81 -18.723 -4.410 8.665 1.00 0.00 N ATOM 1247 CZ ARG A 81 -19.528 -3.816 9.543 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -19.684 -2.500 9.522 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -20.171 -4.538 10.448 1.00 0.00 N ATOM 0 H ARG A 81 -17.879 -7.467 5.579 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.753 -7.144 6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.700 -5.603 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.321 -5.281 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.544 -4.060 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.880 -5.194 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.307 -2.982 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.686 -3.124 7.015 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.614 -5.422 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.186 -1.938 8.831 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.302 -2.049 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.050 -5.550 10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.788 -4.082 11.120 1.00 0.00 H new ATOM 1263 N SER A 82 -16.344 -9.283 7.988 1.00 0.00 N ATOM 1264 CA SER A 82 -15.953 -10.311 8.949 1.00 0.00 C ATOM 1265 C SER A 82 -15.610 -11.616 8.236 1.00 0.00 C ATOM 1266 O SER A 82 -15.726 -12.697 8.813 1.00 0.00 O ATOM 1267 CB SER A 82 -17.075 -10.559 9.962 1.00 0.00 C ATOM 1268 OG SER A 82 -18.097 -9.586 9.846 1.00 0.00 O ATOM 0 H SER A 82 -16.951 -9.616 7.239 1.00 0.00 H new ATOM 0 HA SER A 82 -15.069 -9.954 9.478 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.496 -11.552 9.806 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.666 -10.541 10.972 1.00 0.00 H new ATOM 0 HG SER A 82 -17.695 -8.694 9.792 1.00 0.00 H new ATOM 1274 N PHE A 83 -15.185 -11.508 6.982 1.00 0.00 N ATOM 1275 CA PHE A 83 -14.823 -12.684 6.198 1.00 0.00 C ATOM 1276 C PHE A 83 -13.317 -12.919 6.240 1.00 0.00 C ATOM 1277 O PHE A 83 -12.738 -13.469 5.302 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.291 -12.546 4.742 1.00 0.00 C ATOM 1279 CG PHE A 83 -15.432 -11.128 4.269 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -16.576 -10.401 4.551 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -14.423 -10.524 3.537 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -16.711 -9.098 4.112 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -14.554 -9.223 3.097 1.00 0.00 C ATOM 1284 CZ PHE A 83 -15.699 -8.508 3.384 1.00 0.00 C ATOM 0 H PHE A 83 -15.083 -10.622 6.488 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.326 -13.543 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -14.583 -13.064 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -16.251 -13.050 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -17.372 -10.858 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.524 -11.077 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -17.609 -8.542 4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.760 -8.764 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.802 -7.490 3.040 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.686 -12.487 7.326 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.251 -12.646 7.466 1.00 0.00 C ATOM 1296 C GLY A 84 -10.610 -11.441 8.120 1.00 0.00 C ATOM 1297 O GLY A 84 -10.818 -11.195 9.310 1.00 0.00 O ATOM 0 H GLY A 84 -13.144 -12.028 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.041 -13.536 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.806 -12.805 6.484 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.828 -10.682 7.363 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.170 -9.506 7.911 1.00 0.00 C ATOM 1303 C ASP A 85 -9.229 -8.344 6.932 1.00 0.00 C ATOM 1304 O ASP A 85 -8.448 -7.404 7.038 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.711 -9.823 8.244 1.00 0.00 C ATOM 1306 CG ASP A 85 -6.923 -10.258 7.023 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -7.425 -11.114 6.267 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -5.804 -9.738 6.822 1.00 0.00 O ATOM 0 H ASP A 85 -9.636 -10.858 6.377 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.695 -9.221 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.241 -8.942 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.675 -10.611 8.996 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.155 -8.412 5.976 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.294 -7.355 4.981 1.00 0.00 C ATOM 1315 C ILE A 86 -10.346 -5.976 5.635 1.00 0.00 C ATOM 1316 O ILE A 86 -11.388 -5.553 6.134 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.553 -7.544 4.105 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.665 -6.387 3.109 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.806 -7.644 4.966 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.704 -6.592 2.030 1.00 0.00 C ATOM 0 H ILE A 86 -10.815 -9.183 5.871 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.412 -7.420 4.344 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.460 -8.478 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.901 -5.474 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.694 -6.234 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.678 -7.777 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.718 -8.496 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.920 -6.731 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.717 -5.726 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.460 -7.485 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.685 -6.713 2.488 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.219 -5.247 5.635 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.159 -3.910 6.225 1.00 0.00 C ATOM 1334 C PRO A 87 -9.988 -2.898 5.437 1.00 0.00 C ATOM 1335 O PRO A 87 -9.441 -1.997 4.801 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.670 -3.557 6.156 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.136 -4.379 5.033 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.922 -5.658 5.056 1.00 0.00 C ATOM 0 HA PRO A 87 -9.566 -3.888 7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.524 -2.493 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.164 -3.791 7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.255 -3.864 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.071 -4.572 5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.042 -6.075 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.433 -6.420 5.663 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.312 -3.052 5.472 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.197 -2.146 4.749 1.00 0.00 C ATOM 1348 C LEU A 88 -12.905 -1.178 5.691 1.00 0.00 C ATOM 1349 O LEU A 88 -12.980 -1.409 6.898 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.227 -2.935 3.931 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.473 -3.399 4.688 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.623 -2.432 4.454 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.858 -4.803 4.252 1.00 0.00 C ATOM 0 H LEU A 88 -11.790 -3.790 5.989 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.578 -1.560 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.546 -2.317 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.734 -3.812 3.512 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.250 -3.416 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.503 -2.775 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.342 -1.440 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.850 -2.388 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.746 -5.123 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.068 -4.807 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.037 -5.488 4.463 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.425 -0.092 5.126 1.00 0.00 N ATOM 1366 CA VAL A 89 -14.132 0.917 5.906 1.00 0.00 C ATOM 1367 C VAL A 89 -15.204 1.600 5.064 1.00 0.00 C ATOM 1368 O VAL A 89 -15.229 1.464 3.839 1.00 0.00 O ATOM 1369 CB VAL A 89 -13.185 2.000 6.476 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -13.678 2.465 7.839 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.749 1.498 6.570 1.00 0.00 C ATOM 0 H VAL A 89 -13.369 0.111 4.128 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.590 0.387 6.741 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.192 2.846 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.003 3.227 8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.680 2.883 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.705 1.618 8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.114 2.286 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.710 0.628 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.395 1.220 5.577 1.00 0.00 H new ATOM 1381 N HIS A 90 -16.091 2.331 5.730 1.00 0.00 N ATOM 1382 CA HIS A 90 -17.170 3.035 5.050 1.00 0.00 C ATOM 1383 C HIS A 90 -16.754 4.455 4.684 1.00 0.00 C ATOM 1384 O HIS A 90 -15.935 5.070 5.369 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.419 3.076 5.932 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.677 1.800 6.671 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -18.093 1.497 7.882 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -19.467 0.744 6.365 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -18.511 0.312 8.288 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.347 -0.165 7.383 1.00 0.00 N ATOM 0 H HIS A 90 -16.083 2.451 6.743 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.395 2.492 4.132 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -18.318 3.888 6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -19.284 3.307 5.311 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -17.439 2.095 8.387 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -20.079 0.638 5.481 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.219 -0.182 9.203 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.326 4.970 3.601 1.00 0.00 N ATOM 1400 CA GLY A 91 -17.006 6.315 3.163 1.00 0.00 C ATOM 1401 C GLY A 91 -18.145 7.287 3.400 1.00 0.00 C ATOM 1402 O GLY A 91 -18.292 8.269 2.674 1.00 0.00 O ATOM 0 H GLY A 91 -18.005 4.480 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.118 6.664 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.760 6.299 2.101 1.00 0.00 H new ATOM 1406 N MET A 92 -18.950 7.018 4.426 1.00 0.00 N ATOM 1407 CA MET A 92 -20.076 7.881 4.762 1.00 0.00 C ATOM 1408 C MET A 92 -19.616 9.320 5.010 1.00 0.00 C ATOM 1409 O MET A 92 -20.230 10.264 4.513 1.00 0.00 O ATOM 1410 CB MET A 92 -20.810 7.345 5.995 1.00 0.00 C ATOM 1411 CG MET A 92 -22.188 7.955 6.201 1.00 0.00 C ATOM 1412 SD MET A 92 -23.267 7.734 4.772 1.00 0.00 S ATOM 1413 CE MET A 92 -24.740 8.593 5.320 1.00 0.00 C ATOM 0 H MET A 92 -18.842 6.209 5.038 1.00 0.00 H new ATOM 0 HA MET A 92 -20.760 7.883 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.911 6.263 5.905 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.202 7.535 6.880 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.654 7.503 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.082 9.019 6.410 1.00 0.00 H new ATOM 0 HE1 MET A 92 -25.501 8.544 4.541 1.00 0.00 H new ATOM 0 HE2 MET A 92 -25.119 8.123 6.228 1.00 0.00 H new ATOM 0 HE3 MET A 92 -24.498 9.636 5.525 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.530 9.512 5.787 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.009 10.851 6.090 1.00 0.00 C ATOM 1425 C PRO A 93 -17.316 11.497 4.893 1.00 0.00 C ATOM 1426 O PRO A 93 -17.350 12.716 4.729 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.004 10.589 7.212 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.543 9.195 6.978 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.731 8.452 6.437 1.00 0.00 C ATOM 0 HA PRO A 93 -18.805 11.545 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.173 11.294 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.467 10.695 8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.713 9.172 6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.187 8.741 7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.433 7.681 5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.290 7.956 7.230 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.680 10.677 4.061 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.977 11.180 2.883 1.00 0.00 C ATOM 1439 C PHE A 94 -16.965 11.664 1.822 1.00 0.00 C ATOM 1440 O PHE A 94 -16.712 12.648 1.128 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.063 10.094 2.303 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.593 10.383 2.464 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.120 11.066 3.575 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.683 9.968 1.503 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.770 11.329 3.723 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.333 10.227 1.648 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.876 10.909 2.759 1.00 0.00 C ATOM 0 H PHE A 94 -16.636 9.665 4.179 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.365 12.028 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.292 9.144 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.286 9.974 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.814 11.396 4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.033 9.436 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.416 11.863 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.635 9.896 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.822 11.113 2.873 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.092 10.967 1.703 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.117 11.327 0.727 1.00 0.00 C ATOM 1459 C VAL A 95 -19.852 12.599 1.148 1.00 0.00 C ATOM 1460 O VAL A 95 -20.426 13.302 0.316 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.137 10.180 0.541 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -21.218 10.549 -0.471 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.427 8.902 0.117 1.00 0.00 C ATOM 0 H VAL A 95 -18.319 10.150 2.270 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.611 11.507 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.625 10.012 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.917 9.719 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.754 11.433 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.757 10.759 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.159 8.104 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.907 9.070 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.706 8.615 0.883 1.00 0.00 H new ATOM 1473 N SER A 96 -19.827 12.893 2.443 1.00 0.00 N ATOM 1474 CA SER A 96 -20.491 14.081 2.970 1.00 0.00 C ATOM 1475 C SER A 96 -20.001 15.343 2.264 1.00 0.00 C ATOM 1476 O SER A 96 -20.789 16.240 1.961 1.00 0.00 O ATOM 1477 CB SER A 96 -20.253 14.193 4.475 1.00 0.00 C ATOM 1478 OG SER A 96 -18.933 14.623 4.752 1.00 0.00 O ATOM 0 H SER A 96 -19.355 12.326 3.147 1.00 0.00 H new ATOM 0 HA SER A 96 -21.561 13.982 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.966 14.895 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.431 13.227 4.947 1.00 0.00 H new ATOM 0 HG SER A 96 -18.296 14.054 4.272 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.697 15.409 2.001 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.140 16.568 1.333 1.00 0.00 C ATOM 1486 C GLY A 97 -17.922 17.733 2.276 1.00 0.00 C ATOM 1487 O GLY A 97 -17.579 18.833 1.844 1.00 0.00 O ATOM 0 H GLY A 97 -18.021 14.683 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.191 16.296 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.808 16.876 0.529 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.129 17.498 3.569 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.957 18.543 4.567 1.00 0.00 C ATOM 1493 C VAL A 98 -16.954 18.132 5.645 1.00 0.00 C ATOM 1494 O VAL A 98 -16.253 18.976 6.202 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.298 18.902 5.237 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.886 17.692 5.950 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -19.114 20.065 6.200 1.00 0.00 C ATOM 0 H VAL A 98 -18.415 16.595 3.947 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.572 19.417 4.041 1.00 0.00 H new ATOM 0 HB VAL A 98 -20.001 19.208 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.832 17.968 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.056 16.892 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.191 17.348 6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.070 20.307 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.395 19.789 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.746 20.934 5.655 1.00 0.00 H new ATOM 1507 N GLY A 99 -16.895 16.836 5.942 1.00 0.00 N ATOM 1508 CA GLY A 99 -15.978 16.356 6.958 1.00 0.00 C ATOM 1509 C GLY A 99 -14.764 15.656 6.377 1.00 0.00 C ATOM 1510 O GLY A 99 -14.101 14.882 7.067 1.00 0.00 O ATOM 0 H GLY A 99 -17.463 16.114 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.648 17.197 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.505 15.669 7.620 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.468 15.925 5.111 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.323 15.306 4.461 1.00 0.00 C ATOM 1516 C ILE A 100 -12.025 15.757 5.117 1.00 0.00 C ATOM 1517 O ILE A 100 -11.140 14.952 5.378 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.237 15.642 2.959 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.611 15.616 2.290 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.292 14.673 2.269 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.789 16.724 1.274 1.00 0.00 C ATOM 0 H ILE A 100 -15.001 16.562 4.519 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.462 14.231 4.572 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.850 16.657 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.753 14.653 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.384 15.702 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.234 14.914 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.300 14.753 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.663 13.655 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.783 16.656 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.676 17.690 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.036 16.625 0.492 1.00 0.00 H new ATOM 1533 N GLU A 101 -11.924 17.054 5.377 1.00 0.00 N ATOM 1534 CA GLU A 101 -10.732 17.623 5.997 1.00 0.00 C ATOM 1535 C GLU A 101 -10.400 16.919 7.310 1.00 0.00 C ATOM 1536 O GLU A 101 -9.238 16.623 7.591 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.926 19.120 6.237 1.00 0.00 C ATOM 1538 CG GLU A 101 -9.816 19.971 5.644 1.00 0.00 C ATOM 1539 CD GLU A 101 -9.862 21.409 6.124 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -10.591 21.687 7.100 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -9.167 22.256 5.525 1.00 0.00 O ATOM 0 H GLU A 101 -12.655 17.734 5.168 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.895 17.475 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.880 19.429 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.983 19.305 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.851 19.536 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.891 19.952 4.557 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.425 16.653 8.111 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.234 15.984 9.390 1.00 0.00 C ATOM 1550 C ALA A 102 -10.781 14.543 9.190 1.00 0.00 C ATOM 1551 O ALA A 102 -9.828 14.088 9.820 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.519 16.029 10.207 1.00 0.00 C ATOM 0 H ALA A 102 -12.394 16.890 7.897 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.452 16.511 9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.362 15.525 11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.800 17.067 10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.316 15.527 9.659 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.469 13.830 8.306 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.136 12.441 8.024 1.00 0.00 C ATOM 1560 C LEU A 103 -9.815 12.333 7.266 1.00 0.00 C ATOM 1561 O LEU A 103 -8.985 11.486 7.579 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.261 11.776 7.226 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.133 10.259 7.047 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -11.697 9.594 8.345 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.451 9.670 6.572 1.00 0.00 C ATOM 0 H LEU A 103 -12.260 14.191 7.773 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.022 11.922 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.209 11.988 7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.306 12.238 6.240 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.370 10.069 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.613 8.518 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.730 9.993 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.435 9.794 9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.345 8.592 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.228 9.877 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.727 10.118 5.618 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.617 13.202 6.277 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.388 13.196 5.485 1.00 0.00 C ATOM 1579 C GLN A 104 -7.151 13.146 6.378 1.00 0.00 C ATOM 1580 O GLN A 104 -6.300 12.271 6.225 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.327 14.436 4.585 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.508 14.237 3.319 1.00 0.00 C ATOM 1583 CD GLN A 104 -8.366 13.911 2.113 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -9.302 14.641 1.787 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -8.050 12.810 1.440 1.00 0.00 N ATOM 0 H GLN A 104 -10.290 13.918 6.005 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.399 12.300 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.342 14.723 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.905 15.265 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.933 15.141 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.791 13.432 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.266 12.233 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.591 12.541 0.618 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.057 14.089 7.310 1.00 0.00 N ATOM 1595 CA ASN A 105 -5.919 14.146 8.221 1.00 0.00 C ATOM 1596 C ASN A 105 -5.808 12.865 9.044 1.00 0.00 C ATOM 1597 O ASN A 105 -4.740 12.259 9.119 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.036 15.356 9.148 1.00 0.00 C ATOM 1599 CG ASN A 105 -4.723 15.681 9.833 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -3.977 16.553 9.389 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -4.434 14.977 10.922 1.00 0.00 N ATOM 0 H ASN A 105 -7.752 14.821 7.454 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.015 14.246 7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -6.368 16.221 8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.799 15.162 9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.564 15.150 11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.082 14.263 11.255 1.00 0.00 H new ATOM 1608 N LYS A 106 -6.915 12.458 9.658 1.00 0.00 N ATOM 1609 CA LYS A 106 -6.935 11.247 10.476 1.00 0.00 C ATOM 1610 C LYS A 106 -6.343 10.064 9.717 1.00 0.00 C ATOM 1611 O LYS A 106 -5.559 9.292 10.267 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.364 10.920 10.911 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.703 11.415 12.308 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.835 12.431 12.283 1.00 0.00 C ATOM 1615 CE LYS A 106 -10.296 12.800 13.684 1.00 0.00 C ATOM 1616 NZ LYS A 106 -10.485 11.603 14.550 1.00 0.00 N ATOM 0 H LYS A 106 -7.809 12.947 9.606 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.325 11.431 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.062 11.361 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.509 9.840 10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.986 10.570 12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.819 11.865 12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.505 13.329 11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.675 12.025 11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.564 13.465 14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.233 13.353 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.075 11.856 15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.953 10.851 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.559 11.265 14.882 1.00 0.00 H new ATOM 1630 N ILE A 107 -6.717 9.931 8.449 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.215 8.844 7.621 1.00 0.00 C ATOM 1632 C ILE A 107 -4.702 8.944 7.466 1.00 0.00 C ATOM 1633 O ILE A 107 -3.982 7.963 7.645 1.00 0.00 O ATOM 1634 CB ILE A 107 -6.871 8.844 6.222 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -8.396 8.909 6.343 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -6.448 7.613 5.431 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -9.019 7.666 6.938 1.00 0.00 C ATOM 0 H ILE A 107 -7.364 10.561 7.975 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.471 7.912 8.124 1.00 0.00 H new ATOM 0 HB ILE A 107 -6.531 9.729 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.665 9.768 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.822 9.079 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.920 7.632 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.364 7.611 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.756 6.714 5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.101 7.790 6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.782 6.805 6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.623 7.505 7.941 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.223 10.140 7.139 1.00 0.00 N ATOM 1650 CA LEU A 108 -2.794 10.367 6.963 1.00 0.00 C ATOM 1651 C LEU A 108 -2.039 10.179 8.274 1.00 0.00 C ATOM 1652 O LEU A 108 -1.006 9.519 8.311 1.00 0.00 O ATOM 1653 CB LEU A 108 -2.529 11.778 6.435 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.248 12.147 5.138 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -2.807 13.526 4.673 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.984 11.104 4.060 1.00 0.00 C ATOM 0 H LEU A 108 -4.803 10.966 6.991 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.439 9.634 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.817 12.494 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.456 11.892 6.279 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.321 12.169 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.324 13.781 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.049 14.263 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.731 13.524 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.505 11.386 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.913 11.046 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.344 10.132 4.398 1.00 0.00 H new ATOM 1668 N THR A 109 -2.559 10.758 9.352 1.00 0.00 N ATOM 1669 CA THR A 109 -1.914 10.648 10.657 1.00 0.00 C ATOM 1670 C THR A 109 -1.686 9.189 11.039 1.00 0.00 C ATOM 1671 O THR A 109 -0.655 8.844 11.617 1.00 0.00 O ATOM 1672 CB THR A 109 -2.751 11.346 11.733 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.114 11.402 11.357 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.296 12.762 12.021 1.00 0.00 C ATOM 0 H THR A 109 -3.420 11.305 9.349 1.00 0.00 H new ATOM 0 HA THR A 109 -0.944 11.140 10.589 1.00 0.00 H new ATOM 0 HB THR A 109 -2.616 10.746 12.633 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.266 12.191 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.931 13.198 12.792 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.262 12.749 12.367 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.367 13.359 11.112 1.00 0.00 H new ATOM 1682 N ILE A 110 -2.652 8.335 10.717 1.00 0.00 N ATOM 1683 CA ILE A 110 -2.545 6.916 11.034 1.00 0.00 C ATOM 1684 C ILE A 110 -1.741 6.168 9.973 1.00 0.00 C ATOM 1685 O ILE A 110 -0.949 5.283 10.295 1.00 0.00 O ATOM 1686 CB ILE A 110 -3.933 6.257 11.171 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -4.862 7.127 12.022 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -3.797 4.870 11.782 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.324 6.987 11.656 1.00 0.00 C ATOM 0 H ILE A 110 -3.514 8.599 10.239 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.026 6.851 11.990 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.370 6.161 10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.732 6.864 13.072 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.567 8.171 11.916 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.783 4.415 11.874 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.169 4.250 11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.341 4.950 12.769 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.923 7.631 12.299 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.468 7.278 10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.635 5.951 11.790 1.00 0.00 H new ATOM 1701 N LEU A 111 -1.948 6.526 8.709 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.237 5.880 7.608 1.00 0.00 C ATOM 1703 C LEU A 111 0.275 5.984 7.792 1.00 0.00 C ATOM 1704 O LEU A 111 1.017 5.077 7.419 1.00 0.00 O ATOM 1705 CB LEU A 111 -1.640 6.500 6.268 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.041 6.131 5.776 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.536 7.153 4.766 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.044 4.737 5.168 1.00 0.00 C ATOM 0 H LEU A 111 -2.599 7.257 8.421 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.514 4.826 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.576 7.585 6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.915 6.197 5.513 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.718 6.134 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.534 6.875 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.572 8.137 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.857 7.180 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.049 4.492 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.354 4.706 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.731 4.012 5.919 1.00 0.00 H new ATOM 1720 N GLN A 112 0.728 7.094 8.368 1.00 0.00 N ATOM 1721 CA GLN A 112 2.155 7.306 8.596 1.00 0.00 C ATOM 1722 C GLN A 112 2.610 6.618 9.880 1.00 0.00 C ATOM 1723 O GLN A 112 3.781 6.266 10.023 1.00 0.00 O ATOM 1724 CB GLN A 112 2.474 8.802 8.667 1.00 0.00 C ATOM 1725 CG GLN A 112 1.791 9.626 7.589 1.00 0.00 C ATOM 1726 CD GLN A 112 2.201 11.085 7.620 1.00 0.00 C ATOM 1727 OE1 GLN A 112 3.307 11.439 7.213 1.00 0.00 O ATOM 1728 NE2 GLN A 112 1.308 11.942 8.103 1.00 0.00 N ATOM 0 H GLN A 112 0.131 7.858 8.684 1.00 0.00 H new ATOM 0 HA GLN A 112 2.695 6.869 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.176 9.181 9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 112 3.552 8.938 8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.029 9.207 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.710 9.554 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.402 11.605 8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.528 12.937 8.147 1.00 0.00 H new ATOM 1737 N GLY A 113 1.680 6.429 10.811 1.00 0.00 N ATOM 1738 CA GLY A 113 2.011 5.783 12.069 1.00 0.00 C ATOM 1739 C GLY A 113 1.794 4.283 12.024 1.00 0.00 C ATOM 1740 O GLY A 113 2.377 3.574 12.871 1.00 0.00 O ATOM 1741 OXT GLY A 113 1.041 3.818 11.143 1.00 0.00 O ATOM 0 H GLY A 113 0.704 6.711 10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.052 5.989 12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.403 6.212 12.865 1.00 0.00 H new TER 1745 GLY A 113