USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1418 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: B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 79 MET CE :methyl -165:sc= -3.91! (180deg=-6.06!) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 MET CE :methyl -163:sc= -3.73! (180deg=-5.67!) USER MOD Set 3.1: A 7 MET CE :methyl -139:sc= -9.29! (180deg=-10.2!) USER MOD Set 3.2: A 78 SER OG : rot 75:sc= 1.04 USER MOD Set 3.3: A 81 THR OG1 : rot 80:sc= -0.359 USER MOD Set 3.4: B 7 MET CE :methyl -141:sc= -8.89! (180deg=-9.83!) USER MOD Set 3.5: B 78 SER OG : rot 170:sc= 1.1 USER MOD Set 3.6: B 81 THR OG1 : rot 94:sc= -0.571! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 161:sc=-0.000268 (180deg=-0.41) USER MOD Single : A 1 SER OG : rot 180:sc=-0.00251 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 16 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.69) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 7:sc= 0.894 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.165 (180deg=-0.939) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.96! C(o=-4!,f=-3.3!) USER MOD Single : A 38 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-0.85) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -0.415 (180deg=-1.7!) USER MOD Single : A 50 GLN : amide:sc= -0.399 K(o=-0.4,f=-3.4!) USER MOD Single : A 57 MET CE :methyl -150:sc= -0.574 (180deg=-3.09!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 68 CYS SG : rot 170:sc= -0.029 USER MOD Single : A 71 GLN : amide:sc= -3.37! C(o=-3.4!,f=-5.5!) USER MOD Single : A 74 MET CE :methyl -161:sc= -10.4! (180deg=-12!) USER MOD Single : A 82 THR OG1 : rot -79:sc= 0.347 USER MOD Single : A 84 CYS SG : rot 81:sc= 0.805 USER MOD Single : A 85 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.033) USER MOD Single : A 90 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.057) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 160:sc= 0 (180deg=-0.352) USER MOD Single : B 1 SER OG : rot 180:sc= 0.00791 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : B 16 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.86) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 7:sc= 0.924! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HE2:sc= -3.89 X(o=-3.9,f=-3.5) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 157:sc= -0.09 (180deg=-0.901) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3.2!) USER MOD Single : B 38 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.78) USER MOD Single : B 48 LYS NZ :NH3+ -151:sc= -0.402 (180deg=-1.6!) USER MOD Single : B 50 GLN : amide:sc= -0.27 K(o=-0.27,f=-3.2!) USER MOD Single : B 57 MET CE :methyl -145:sc= -1.02! (180deg=-3.32!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : B 68 CYS SG : rot 160:sc= -0.0267 USER MOD Single : B 71 GLN : amide:sc= -3.56! C(o=-3.6!,f=-5.7!) USER MOD Single : B 74 MET CE :methyl -163:sc= -10.5! (180deg=-12!) USER MOD Single : B 82 THR OG1 : rot -78:sc= 0.322 USER MOD Single : B 84 CYS SG : rot 84:sc= 0.809 USER MOD Single : B 85 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0081) USER MOD Single : B 90 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 8.717 4.820 -15.482 1.00 0.00 N ATOM 2 CA MET A 0 9.335 3.620 -16.111 1.00 0.00 C ATOM 3 C MET A 0 9.657 2.586 -15.030 1.00 0.00 C ATOM 4 O MET A 0 10.682 1.934 -15.066 1.00 0.00 O ATOM 5 CB MET A 0 10.624 4.027 -16.829 1.00 0.00 C ATOM 6 CG MET A 0 11.535 4.772 -15.853 1.00 0.00 C ATOM 7 SD MET A 0 13.264 4.457 -16.283 1.00 0.00 S ATOM 8 CE MET A 0 13.753 6.182 -16.536 1.00 0.00 C ATOM 0 H1 MET A 0 8.791 5.629 -16.131 1.00 0.00 H new ATOM 0 H2 MET A 0 7.715 4.629 -15.280 1.00 0.00 H new ATOM 0 H3 MET A 0 9.213 5.041 -14.595 1.00 0.00 H new ATOM 0 HA MET A 0 8.640 3.188 -16.831 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.132 3.144 -17.216 1.00 0.00 H new ATOM 0 HB3 MET A 0 10.392 4.662 -17.684 1.00 0.00 H new ATOM 0 HG2 MET A 0 11.329 5.842 -15.890 1.00 0.00 H new ATOM 0 HG3 MET A 0 11.337 4.445 -14.832 1.00 0.00 H new ATOM 0 HE1 MET A 0 14.806 6.225 -16.815 1.00 0.00 H new ATOM 0 HE2 MET A 0 13.149 6.618 -17.331 1.00 0.00 H new ATOM 0 HE3 MET A 0 13.599 6.743 -15.614 1.00 0.00 H new ATOM 20 N SER A 1 8.790 2.433 -14.066 1.00 0.00 N ATOM 21 CA SER A 1 9.048 1.442 -12.982 1.00 0.00 C ATOM 22 C SER A 1 7.731 0.779 -12.575 1.00 0.00 C ATOM 23 O SER A 1 6.668 1.353 -12.710 1.00 0.00 O ATOM 24 CB SER A 1 9.655 2.157 -11.775 1.00 0.00 C ATOM 25 OG SER A 1 9.344 1.430 -10.592 1.00 0.00 O ATOM 0 H SER A 1 7.915 2.951 -13.982 1.00 0.00 H new ATOM 0 HA SER A 1 9.741 0.681 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.736 2.239 -11.892 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.264 3.172 -11.705 1.00 0.00 H new ATOM 0 HG SER A 1 9.733 1.885 -9.816 1.00 0.00 H new ATOM 31 N GLU A 2 7.792 -0.427 -12.077 1.00 0.00 N ATOM 32 CA GLU A 2 6.543 -1.127 -11.663 1.00 0.00 C ATOM 33 C GLU A 2 6.026 -0.517 -10.358 1.00 0.00 C ATOM 34 O GLU A 2 4.844 -0.291 -10.191 1.00 0.00 O ATOM 35 CB GLU A 2 6.835 -2.613 -11.438 1.00 0.00 C ATOM 36 CG GLU A 2 7.554 -3.188 -12.658 1.00 0.00 C ATOM 37 CD GLU A 2 6.585 -3.249 -13.840 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.426 -3.555 -13.614 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.019 -2.989 -14.950 1.00 0.00 O ATOM 0 H GLU A 2 8.653 -0.957 -11.939 1.00 0.00 H new ATOM 0 HA GLU A 2 5.793 -1.016 -12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.450 -2.742 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.905 -3.154 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.415 -2.569 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.933 -4.185 -12.433 1.00 0.00 H new ATOM 46 N LEU A 3 6.903 -0.259 -9.430 1.00 0.00 N ATOM 47 CA LEU A 3 6.470 0.326 -8.130 1.00 0.00 C ATOM 48 C LEU A 3 5.917 1.731 -8.347 1.00 0.00 C ATOM 49 O LEU A 3 4.967 2.138 -7.718 1.00 0.00 O ATOM 50 CB LEU A 3 7.669 0.410 -7.191 1.00 0.00 C ATOM 51 CG LEU A 3 7.192 0.277 -5.744 1.00 0.00 C ATOM 52 CD1 LEU A 3 7.048 -1.206 -5.392 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.211 0.941 -4.810 1.00 0.00 C ATOM 0 H LEU A 3 7.905 -0.428 -9.515 1.00 0.00 H new ATOM 0 HA LEU A 3 5.695 -0.307 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.383 -0.380 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.187 1.359 -7.329 1.00 0.00 H new ATOM 0 HG LEU A 3 6.226 0.768 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.708 -1.304 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.321 -1.669 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.012 -1.702 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.873 0.848 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.179 0.452 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.306 1.996 -5.067 1.00 0.00 H new ATOM 65 N GLU A 4 6.517 2.487 -9.211 1.00 0.00 N ATOM 66 CA GLU A 4 6.025 3.873 -9.434 1.00 0.00 C ATOM 67 C GLU A 4 4.629 3.847 -10.064 1.00 0.00 C ATOM 68 O GLU A 4 3.693 4.416 -9.543 1.00 0.00 O ATOM 69 CB GLU A 4 6.993 4.617 -10.358 1.00 0.00 C ATOM 70 CG GLU A 4 6.352 5.925 -10.831 1.00 0.00 C ATOM 71 CD GLU A 4 6.173 5.884 -12.351 1.00 0.00 C ATOM 72 OE1 GLU A 4 6.976 5.240 -13.005 1.00 0.00 O ATOM 73 OE2 GLU A 4 5.235 6.499 -12.834 1.00 0.00 O ATOM 0 H GLU A 4 7.323 2.212 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 4 5.968 4.387 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.924 4.827 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.245 3.993 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.387 6.067 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.978 6.772 -10.550 1.00 0.00 H new ATOM 80 N LYS A 5 4.473 3.201 -11.178 1.00 0.00 N ATOM 81 CA LYS A 5 3.130 3.171 -11.815 1.00 0.00 C ATOM 82 C LYS A 5 2.133 2.483 -10.882 1.00 0.00 C ATOM 83 O LYS A 5 0.954 2.765 -10.907 1.00 0.00 O ATOM 84 CB LYS A 5 3.203 2.411 -13.142 1.00 0.00 C ATOM 85 CG LYS A 5 3.634 0.966 -12.884 1.00 0.00 C ATOM 86 CD LYS A 5 4.080 0.327 -14.202 1.00 0.00 C ATOM 87 CE LYS A 5 3.036 -0.694 -14.656 1.00 0.00 C ATOM 88 NZ LYS A 5 3.582 -1.486 -15.794 1.00 0.00 N ATOM 0 H LYS A 5 5.208 2.696 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 5 2.800 4.192 -12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.232 2.428 -13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.911 2.898 -13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.449 0.941 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.808 0.400 -12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.208 1.095 -14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.047 -0.159 -14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.775 -1.356 -13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.121 -0.185 -14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.874 -2.181 -16.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.810 -0.848 -16.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.444 -1.982 -15.490 1.00 0.00 H new ATOM 102 N ALA A 6 2.592 1.578 -10.063 1.00 0.00 N ATOM 103 CA ALA A 6 1.658 0.875 -9.138 1.00 0.00 C ATOM 104 C ALA A 6 1.379 1.738 -7.906 1.00 0.00 C ATOM 105 O ALA A 6 0.310 2.295 -7.748 1.00 0.00 O ATOM 106 CB ALA A 6 2.280 -0.454 -8.694 1.00 0.00 C ATOM 0 H ALA A 6 3.570 1.295 -9.994 1.00 0.00 H new ATOM 0 HA ALA A 6 0.720 0.689 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.597 -0.968 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.464 -1.079 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.222 -0.261 -8.181 1.00 0.00 H new ATOM 112 N MET A 7 2.334 1.838 -7.032 1.00 0.00 N ATOM 113 CA MET A 7 2.155 2.645 -5.797 1.00 0.00 C ATOM 114 C MET A 7 1.609 4.028 -6.157 1.00 0.00 C ATOM 115 O MET A 7 0.603 4.470 -5.634 1.00 0.00 O ATOM 116 CB MET A 7 3.521 2.775 -5.108 1.00 0.00 C ATOM 117 CG MET A 7 3.560 4.029 -4.226 1.00 0.00 C ATOM 118 SD MET A 7 2.110 4.048 -3.144 1.00 0.00 S ATOM 119 CE MET A 7 2.500 2.534 -2.232 1.00 0.00 C ATOM 0 H MET A 7 3.245 1.389 -7.121 1.00 0.00 H new ATOM 0 HA MET A 7 1.445 2.161 -5.126 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.715 1.890 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.310 2.826 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.472 4.039 -3.630 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.575 4.924 -4.848 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.589 1.954 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.218 1.942 -2.800 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.928 2.793 -1.264 1.00 0.00 H new ATOM 129 N VAL A 8 2.277 4.719 -7.032 1.00 0.00 N ATOM 130 CA VAL A 8 1.809 6.080 -7.409 1.00 0.00 C ATOM 131 C VAL A 8 0.422 6.003 -8.057 1.00 0.00 C ATOM 132 O VAL A 8 -0.364 6.924 -7.952 1.00 0.00 O ATOM 133 CB VAL A 8 2.802 6.718 -8.379 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.506 8.211 -8.496 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.227 6.540 -7.853 1.00 0.00 C ATOM 0 H VAL A 8 3.125 4.403 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 8 1.742 6.692 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 8 2.707 6.239 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.213 8.669 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.491 8.353 -8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.602 8.679 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.931 6.997 -8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.317 7.019 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.449 5.477 -7.757 1.00 0.00 H new ATOM 145 N ALA A 9 0.099 4.922 -8.722 1.00 0.00 N ATOM 146 CA ALA A 9 -1.251 4.834 -9.350 1.00 0.00 C ATOM 147 C ALA A 9 -2.310 4.832 -8.250 1.00 0.00 C ATOM 148 O ALA A 9 -3.364 5.420 -8.389 1.00 0.00 O ATOM 149 CB ALA A 9 -1.369 3.552 -10.174 1.00 0.00 C ATOM 0 H ALA A 9 0.702 4.110 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.398 5.689 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.359 3.500 -10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.611 3.552 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.221 2.688 -9.526 1.00 0.00 H new ATOM 155 N LEU A 10 -2.035 4.185 -7.150 1.00 0.00 N ATOM 156 CA LEU A 10 -3.024 4.163 -6.039 1.00 0.00 C ATOM 157 C LEU A 10 -3.362 5.603 -5.664 1.00 0.00 C ATOM 158 O LEU A 10 -4.515 5.982 -5.595 1.00 0.00 O ATOM 159 CB LEU A 10 -2.427 3.439 -4.831 1.00 0.00 C ATOM 160 CG LEU A 10 -3.149 2.107 -4.631 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.151 1.050 -4.157 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.249 2.279 -3.580 1.00 0.00 C ATOM 0 H LEU A 10 -1.171 3.673 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.927 3.638 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.362 3.268 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.525 4.056 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.592 1.788 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.667 0.100 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.367 0.929 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.707 1.366 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.766 1.330 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.805 2.598 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.961 3.032 -3.918 1.00 0.00 H new ATOM 174 N ILE A 11 -2.368 6.418 -5.441 1.00 0.00 N ATOM 175 CA ILE A 11 -2.651 7.836 -5.095 1.00 0.00 C ATOM 176 C ILE A 11 -3.650 8.384 -6.112 1.00 0.00 C ATOM 177 O ILE A 11 -4.506 9.188 -5.795 1.00 0.00 O ATOM 178 CB ILE A 11 -1.359 8.650 -5.159 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.435 8.233 -4.011 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.689 10.138 -5.032 1.00 0.00 C ATOM 181 CD1 ILE A 11 -1.106 8.550 -2.674 1.00 0.00 C ATOM 0 H ILE A 11 -1.381 6.165 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.060 7.903 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.861 8.467 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.215 7.167 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.516 8.760 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.769 10.720 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.347 10.436 -5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.187 10.320 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.448 8.253 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.303 9.620 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.046 8.003 -2.600 1.00 0.00 H new ATOM 193 N ASP A 12 -3.552 7.936 -7.334 1.00 0.00 N ATOM 194 CA ASP A 12 -4.494 8.404 -8.385 1.00 0.00 C ATOM 195 C ASP A 12 -5.922 8.094 -7.942 1.00 0.00 C ATOM 196 O ASP A 12 -6.774 8.960 -7.899 1.00 0.00 O ATOM 197 CB ASP A 12 -4.194 7.670 -9.694 1.00 0.00 C ATOM 198 CG ASP A 12 -4.873 8.392 -10.859 1.00 0.00 C ATOM 199 OD1 ASP A 12 -5.772 9.177 -10.602 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.485 8.147 -11.990 1.00 0.00 O ATOM 0 H ASP A 12 -2.855 7.262 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.380 9.477 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.117 7.626 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.549 6.641 -9.635 1.00 0.00 H new ATOM 205 N VAL A 13 -6.189 6.862 -7.604 1.00 0.00 N ATOM 206 CA VAL A 13 -7.561 6.497 -7.153 1.00 0.00 C ATOM 207 C VAL A 13 -8.026 7.507 -6.103 1.00 0.00 C ATOM 208 O VAL A 13 -9.198 7.794 -5.980 1.00 0.00 O ATOM 209 CB VAL A 13 -7.556 5.095 -6.536 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.968 4.743 -6.070 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.105 4.072 -7.577 1.00 0.00 C ATOM 0 H VAL A 13 -5.518 6.094 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.236 6.508 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.869 5.078 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.968 3.746 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.297 5.468 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.648 4.764 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.103 3.077 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.790 4.090 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.099 4.319 -7.918 1.00 0.00 H new ATOM 221 N PHE A 14 -7.113 8.047 -5.343 1.00 0.00 N ATOM 222 CA PHE A 14 -7.503 9.038 -4.302 1.00 0.00 C ATOM 223 C PHE A 14 -8.157 10.250 -4.969 1.00 0.00 C ATOM 224 O PHE A 14 -9.203 10.710 -4.555 1.00 0.00 O ATOM 225 CB PHE A 14 -6.260 9.489 -3.534 1.00 0.00 C ATOM 226 CG PHE A 14 -6.580 9.562 -2.060 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.199 8.478 -1.424 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.261 10.711 -1.329 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.499 8.545 -0.058 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.560 10.778 0.038 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.179 9.694 0.673 1.00 0.00 C ATOM 0 H PHE A 14 -6.115 7.845 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.210 8.578 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.440 8.791 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.930 10.463 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.445 7.590 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.784 11.547 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.977 7.710 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.313 11.665 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.409 9.745 1.727 1.00 0.00 H new ATOM 241 N HIS A 15 -7.550 10.770 -6.001 1.00 0.00 N ATOM 242 CA HIS A 15 -8.139 11.951 -6.695 1.00 0.00 C ATOM 243 C HIS A 15 -9.472 11.558 -7.331 1.00 0.00 C ATOM 244 O HIS A 15 -10.225 12.395 -7.787 1.00 0.00 O ATOM 245 CB HIS A 15 -7.178 12.429 -7.787 1.00 0.00 C ATOM 246 CG HIS A 15 -6.380 13.597 -7.279 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.938 14.856 -7.108 1.00 0.00 N ATOM 248 CD2 HIS A 15 -5.066 13.715 -6.902 1.00 0.00 C ATOM 249 CE1 HIS A 15 -5.970 15.667 -6.647 1.00 0.00 C ATOM 250 NE2 HIS A 15 -4.810 15.023 -6.504 1.00 0.00 N ATOM 0 H HIS A 15 -6.673 10.429 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.302 12.752 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.510 11.618 -8.078 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.737 12.717 -8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.341 12.914 -6.913 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.114 16.713 -6.420 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.925 15.408 -6.174 1.00 0.00 H new ATOM 258 N GLN A 16 -9.769 10.288 -7.369 1.00 0.00 N ATOM 259 CA GLN A 16 -11.053 9.841 -7.978 1.00 0.00 C ATOM 260 C GLN A 16 -12.121 9.705 -6.889 1.00 0.00 C ATOM 261 O GLN A 16 -13.047 10.489 -6.813 1.00 0.00 O ATOM 262 CB GLN A 16 -10.844 8.486 -8.657 1.00 0.00 C ATOM 263 CG GLN A 16 -11.458 8.516 -10.058 1.00 0.00 C ATOM 264 CD GLN A 16 -10.769 9.593 -10.897 1.00 0.00 C ATOM 265 OE1 GLN A 16 -11.329 10.646 -11.135 1.00 0.00 O ATOM 266 NE2 GLN A 16 -9.568 9.374 -11.360 1.00 0.00 N ATOM 0 H GLN A 16 -9.178 9.541 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.381 10.575 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.780 8.259 -8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.304 7.695 -8.064 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.347 7.542 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.527 8.719 -9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.098 8.491 -11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.100 10.086 -11.921 1.00 0.00 H new ATOM 275 N TYR A 17 -12.002 8.713 -6.051 1.00 0.00 N ATOM 276 CA TYR A 17 -13.010 8.518 -4.968 1.00 0.00 C ATOM 277 C TYR A 17 -12.909 9.662 -3.956 1.00 0.00 C ATOM 278 O TYR A 17 -13.891 10.297 -3.624 1.00 0.00 O ATOM 279 CB TYR A 17 -12.741 7.188 -4.260 1.00 0.00 C ATOM 280 CG TYR A 17 -13.079 6.044 -5.186 1.00 0.00 C ATOM 281 CD1 TYR A 17 -12.196 5.689 -6.214 1.00 0.00 C ATOM 282 CD2 TYR A 17 -14.275 5.337 -5.016 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.508 4.627 -7.071 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.587 4.275 -5.873 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.704 3.921 -6.901 1.00 0.00 C ATOM 286 OH TYR A 17 -14.013 2.874 -7.747 1.00 0.00 O ATOM 0 H TYR A 17 -11.248 8.026 -6.069 1.00 0.00 H new ATOM 0 HA TYR A 17 -14.010 8.508 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.695 7.129 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.338 7.121 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.274 6.235 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.957 5.611 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.826 4.353 -7.863 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.509 3.728 -5.741 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.878 2.491 -7.491 1.00 0.00 H new ATOM 296 N SER A 18 -11.733 9.927 -3.456 1.00 0.00 N ATOM 297 CA SER A 18 -11.576 11.024 -2.460 1.00 0.00 C ATOM 298 C SER A 18 -11.426 12.365 -3.184 1.00 0.00 C ATOM 299 O SER A 18 -11.346 13.407 -2.566 1.00 0.00 O ATOM 300 CB SER A 18 -10.331 10.768 -1.609 1.00 0.00 C ATOM 301 OG SER A 18 -9.961 11.969 -0.947 1.00 0.00 O ATOM 0 H SER A 18 -10.874 9.431 -3.694 1.00 0.00 H new ATOM 0 HA SER A 18 -12.458 11.055 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.530 9.983 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.512 10.418 -2.238 1.00 0.00 H new ATOM 0 HG SER A 18 -10.645 12.653 -1.104 1.00 0.00 H new ATOM 307 N GLY A 19 -11.386 12.348 -4.488 1.00 0.00 N ATOM 308 CA GLY A 19 -11.237 13.621 -5.244 1.00 0.00 C ATOM 309 C GLY A 19 -12.551 13.961 -5.948 1.00 0.00 C ATOM 310 O GLY A 19 -12.562 14.432 -7.068 1.00 0.00 O ATOM 0 H GLY A 19 -11.450 11.507 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.958 14.427 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.435 13.528 -5.976 1.00 0.00 H new ATOM 314 N ARG A 20 -13.660 13.726 -5.302 1.00 0.00 N ATOM 315 CA ARG A 20 -14.972 14.035 -5.940 1.00 0.00 C ATOM 316 C ARG A 20 -15.864 14.795 -4.953 1.00 0.00 C ATOM 317 O ARG A 20 -16.987 15.141 -5.259 1.00 0.00 O ATOM 318 CB ARG A 20 -15.657 12.728 -6.341 1.00 0.00 C ATOM 319 CG ARG A 20 -15.589 11.738 -5.175 1.00 0.00 C ATOM 320 CD ARG A 20 -16.964 11.105 -4.961 1.00 0.00 C ATOM 321 NE ARG A 20 -16.959 9.718 -5.503 1.00 0.00 N ATOM 322 CZ ARG A 20 -17.930 8.899 -5.208 1.00 0.00 C ATOM 323 NH1 ARG A 20 -19.139 9.357 -5.032 1.00 0.00 N ATOM 324 NH2 ARG A 20 -17.690 7.621 -5.088 1.00 0.00 N ATOM 0 H ARG A 20 -13.715 13.334 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.808 14.652 -6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.696 12.917 -6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.171 12.305 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.850 10.965 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.268 12.250 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.209 11.091 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.731 11.699 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.196 9.409 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.325 10.356 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.898 8.716 -4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.744 7.265 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.448 6.979 -4.857 1.00 0.00 H new ATOM 338 N GLU A 21 -15.378 15.053 -3.769 1.00 0.00 N ATOM 339 CA GLU A 21 -16.204 15.782 -2.772 1.00 0.00 C ATOM 340 C GLU A 21 -15.340 16.172 -1.574 1.00 0.00 C ATOM 341 O GLU A 21 -15.251 17.327 -1.208 1.00 0.00 O ATOM 342 CB GLU A 21 -17.335 14.873 -2.301 1.00 0.00 C ATOM 343 CG GLU A 21 -18.656 15.620 -2.434 1.00 0.00 C ATOM 344 CD GLU A 21 -19.818 14.656 -2.200 1.00 0.00 C ATOM 345 OE1 GLU A 21 -19.918 14.134 -1.101 1.00 0.00 O ATOM 346 OE2 GLU A 21 -20.589 14.455 -3.123 1.00 0.00 O ATOM 0 H GLU A 21 -14.445 14.790 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.616 16.682 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.357 13.960 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.173 14.575 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.697 16.437 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.735 16.066 -3.426 1.00 0.00 H new ATOM 353 N GLY A 22 -14.706 15.213 -0.960 1.00 0.00 N ATOM 354 CA GLY A 22 -13.847 15.518 0.219 1.00 0.00 C ATOM 355 C GLY A 22 -12.801 16.566 -0.164 1.00 0.00 C ATOM 356 O GLY A 22 -12.931 17.256 -1.156 1.00 0.00 O ATOM 0 H GLY A 22 -14.745 14.229 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.460 15.885 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.355 14.610 0.568 1.00 0.00 H new ATOM 360 N ASP A 23 -11.763 16.693 0.616 1.00 0.00 N ATOM 361 CA ASP A 23 -10.712 17.700 0.297 1.00 0.00 C ATOM 362 C ASP A 23 -9.671 17.084 -0.642 1.00 0.00 C ATOM 363 O ASP A 23 -8.536 17.517 -0.694 1.00 0.00 O ATOM 364 CB ASP A 23 -10.030 18.149 1.591 1.00 0.00 C ATOM 365 CG ASP A 23 -10.379 19.614 1.868 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.825 20.472 1.200 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.194 19.852 2.744 1.00 0.00 O ATOM 0 H ASP A 23 -11.597 16.144 1.459 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.172 18.559 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.354 17.523 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.950 18.031 1.506 1.00 0.00 H new ATOM 372 N LYS A 24 -10.045 16.081 -1.388 1.00 0.00 N ATOM 373 CA LYS A 24 -9.072 15.448 -2.324 1.00 0.00 C ATOM 374 C LYS A 24 -7.897 14.875 -1.528 1.00 0.00 C ATOM 375 O LYS A 24 -6.838 14.618 -2.064 1.00 0.00 O ATOM 376 CB LYS A 24 -8.560 16.499 -3.312 1.00 0.00 C ATOM 377 CG LYS A 24 -9.672 17.510 -3.605 1.00 0.00 C ATOM 378 CD LYS A 24 -9.314 18.318 -4.856 1.00 0.00 C ATOM 379 CE LYS A 24 -9.849 19.745 -4.714 1.00 0.00 C ATOM 380 NZ LYS A 24 -11.332 19.740 -4.865 1.00 0.00 N ATOM 0 H LYS A 24 -10.980 15.673 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.563 14.644 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.690 17.009 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.238 16.019 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.619 16.991 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.804 18.178 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.233 18.336 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.740 17.845 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.574 20.152 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.399 20.390 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.694 20.710 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.584 19.368 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.754 19.138 -4.129 1.00 0.00 H new ATOM 394 N HIS A 25 -8.076 14.674 -0.250 1.00 0.00 N ATOM 395 CA HIS A 25 -6.969 14.120 0.580 1.00 0.00 C ATOM 396 C HIS A 25 -7.554 13.382 1.787 1.00 0.00 C ATOM 397 O HIS A 25 -6.879 13.141 2.768 1.00 0.00 O ATOM 398 CB HIS A 25 -6.079 15.262 1.067 1.00 0.00 C ATOM 399 CG HIS A 25 -5.233 15.760 -0.073 1.00 0.00 C ATOM 400 ND1 HIS A 25 -5.350 17.048 -0.571 1.00 0.00 N ATOM 401 CD2 HIS A 25 -4.251 15.157 -0.819 1.00 0.00 C ATOM 402 CE1 HIS A 25 -4.460 17.179 -1.571 1.00 0.00 C ATOM 403 NE2 HIS A 25 -3.764 16.055 -1.765 1.00 0.00 N ATOM 0 H HIS A 25 -8.941 14.870 0.254 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.379 13.426 -0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.692 16.073 1.460 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.443 14.919 1.883 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -5.994 17.766 -0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.908 14.141 -0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.324 18.083 -2.147 1.00 0.00 H new ATOM 411 N LYS A 26 -8.804 13.020 1.721 1.00 0.00 N ATOM 412 CA LYS A 26 -9.433 12.297 2.862 1.00 0.00 C ATOM 413 C LYS A 26 -10.528 11.373 2.331 1.00 0.00 C ATOM 414 O LYS A 26 -11.383 11.782 1.570 1.00 0.00 O ATOM 415 CB LYS A 26 -10.043 13.308 3.835 1.00 0.00 C ATOM 416 CG LYS A 26 -8.929 14.176 4.423 1.00 0.00 C ATOM 417 CD LYS A 26 -9.504 15.090 5.507 1.00 0.00 C ATOM 418 CE LYS A 26 -8.418 16.056 5.980 1.00 0.00 C ATOM 419 NZ LYS A 26 -8.937 16.874 7.112 1.00 0.00 N ATOM 0 H LYS A 26 -9.419 13.193 0.926 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.678 11.707 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.773 13.932 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.575 12.788 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.147 13.544 4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.468 14.774 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.356 15.646 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.868 14.495 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.534 15.500 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.111 16.705 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.198 17.531 7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.768 17.415 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.209 16.248 7.897 1.00 0.00 H new ATOM 433 N LEU A 27 -10.507 10.130 2.723 1.00 0.00 N ATOM 434 CA LEU A 27 -11.542 9.180 2.238 1.00 0.00 C ATOM 435 C LEU A 27 -12.547 8.908 3.358 1.00 0.00 C ATOM 436 O LEU A 27 -12.701 9.693 4.274 1.00 0.00 O ATOM 437 CB LEU A 27 -10.870 7.869 1.825 1.00 0.00 C ATOM 438 CG LEU A 27 -11.211 7.555 0.369 1.00 0.00 C ATOM 439 CD1 LEU A 27 -10.102 6.698 -0.244 1.00 0.00 C ATOM 440 CD2 LEU A 27 -12.535 6.794 0.310 1.00 0.00 C ATOM 0 H LEU A 27 -9.816 9.732 3.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.061 9.610 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.790 7.948 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.205 7.057 2.471 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.300 8.486 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.347 6.475 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.158 7.241 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.010 5.767 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.780 6.569 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.445 5.864 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.326 7.405 0.745 1.00 0.00 H new ATOM 452 N LYS A 28 -13.230 7.799 3.294 1.00 0.00 N ATOM 453 CA LYS A 28 -14.223 7.468 4.352 1.00 0.00 C ATOM 454 C LYS A 28 -14.230 5.955 4.570 1.00 0.00 C ATOM 455 O LYS A 28 -13.634 5.210 3.820 1.00 0.00 O ATOM 456 CB LYS A 28 -15.614 7.928 3.909 1.00 0.00 C ATOM 457 CG LYS A 28 -15.966 9.240 4.613 1.00 0.00 C ATOM 458 CD LYS A 28 -17.465 9.270 4.923 1.00 0.00 C ATOM 459 CE LYS A 28 -18.199 10.030 3.814 1.00 0.00 C ATOM 460 NZ LYS A 28 -18.739 11.306 4.360 1.00 0.00 N ATOM 0 H LYS A 28 -13.142 7.105 2.551 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.957 7.973 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.636 8.066 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.354 7.165 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.392 9.335 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.698 10.087 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.852 8.254 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.639 9.751 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.519 10.235 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.010 9.420 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.237 11.822 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.401 11.099 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.956 11.889 4.720 1.00 0.00 H new ATOM 474 N LYS A 29 -14.899 5.493 5.589 1.00 0.00 N ATOM 475 CA LYS A 29 -14.939 4.026 5.843 1.00 0.00 C ATOM 476 C LYS A 29 -15.953 3.382 4.897 1.00 0.00 C ATOM 477 O LYS A 29 -15.831 2.230 4.530 1.00 0.00 O ATOM 478 CB LYS A 29 -15.352 3.772 7.292 1.00 0.00 C ATOM 479 CG LYS A 29 -14.485 4.622 8.220 1.00 0.00 C ATOM 480 CD LYS A 29 -15.014 4.512 9.650 1.00 0.00 C ATOM 481 CE LYS A 29 -14.018 3.725 10.505 1.00 0.00 C ATOM 482 NZ LYS A 29 -13.799 2.379 9.905 1.00 0.00 N ATOM 0 H LYS A 29 -15.418 6.065 6.255 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.953 3.594 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.404 4.019 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.238 2.716 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.449 4.286 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.497 5.662 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.164 5.506 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.984 4.015 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.073 4.264 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.397 3.624 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.952 1.946 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.625 1.776 10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.667 2.474 8.878 1.00 0.00 H new ATOM 496 N SER A 30 -16.951 4.121 4.499 1.00 0.00 N ATOM 497 CA SER A 30 -17.974 3.557 3.574 1.00 0.00 C ATOM 498 C SER A 30 -17.428 3.568 2.143 1.00 0.00 C ATOM 499 O SER A 30 -17.686 2.673 1.364 1.00 0.00 O ATOM 500 CB SER A 30 -19.247 4.401 3.641 1.00 0.00 C ATOM 501 OG SER A 30 -20.337 3.649 3.124 1.00 0.00 O ATOM 0 H SER A 30 -17.103 5.091 4.774 1.00 0.00 H new ATOM 0 HA SER A 30 -18.204 2.533 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.449 4.694 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.119 5.319 3.067 1.00 0.00 H new ATOM 0 HG SER A 30 -21.155 4.187 3.167 1.00 0.00 H new ATOM 507 N GLU A 31 -16.662 4.567 1.794 1.00 0.00 N ATOM 508 CA GLU A 31 -16.089 4.622 0.425 1.00 0.00 C ATOM 509 C GLU A 31 -14.781 3.838 0.434 1.00 0.00 C ATOM 510 O GLU A 31 -14.308 3.374 -0.582 1.00 0.00 O ATOM 511 CB GLU A 31 -15.828 6.078 0.037 1.00 0.00 C ATOM 512 CG GLU A 31 -16.048 6.257 -1.466 1.00 0.00 C ATOM 513 CD GLU A 31 -17.057 7.383 -1.704 1.00 0.00 C ATOM 514 OE1 GLU A 31 -18.146 7.300 -1.162 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.722 8.309 -2.425 1.00 0.00 O ATOM 0 H GLU A 31 -16.410 5.347 2.401 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.780 4.191 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.494 6.738 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.808 6.358 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.103 6.491 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.414 5.328 -1.904 1.00 0.00 H new ATOM 522 N LEU A 32 -14.210 3.664 1.594 1.00 0.00 N ATOM 523 CA LEU A 32 -12.955 2.880 1.691 1.00 0.00 C ATOM 524 C LEU A 32 -13.333 1.405 1.636 1.00 0.00 C ATOM 525 O LEU A 32 -12.635 0.593 1.071 1.00 0.00 O ATOM 526 CB LEU A 32 -12.254 3.187 3.015 1.00 0.00 C ATOM 527 CG LEU A 32 -11.169 2.140 3.273 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.045 2.312 2.251 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.607 2.327 4.683 1.00 0.00 C ATOM 0 H LEU A 32 -14.562 4.033 2.478 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.277 3.134 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.813 4.183 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.977 3.185 3.831 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.596 1.141 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.271 1.567 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.445 2.182 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.617 3.310 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.834 1.582 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.178 3.325 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.408 2.208 5.413 1.00 0.00 H new ATOM 541 N LYS A 33 -14.458 1.064 2.209 1.00 0.00 N ATOM 542 CA LYS A 33 -14.918 -0.350 2.184 1.00 0.00 C ATOM 543 C LYS A 33 -15.147 -0.762 0.733 1.00 0.00 C ATOM 544 O LYS A 33 -14.748 -1.827 0.305 1.00 0.00 O ATOM 545 CB LYS A 33 -16.231 -0.467 2.957 1.00 0.00 C ATOM 546 CG LYS A 33 -16.429 -1.912 3.419 1.00 0.00 C ATOM 547 CD LYS A 33 -17.296 -1.934 4.680 1.00 0.00 C ATOM 548 CE LYS A 33 -18.760 -2.141 4.291 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.076 -3.597 4.306 1.00 0.00 N ATOM 0 H LYS A 33 -15.079 1.711 2.695 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.169 -0.996 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.219 0.202 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.065 -0.159 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.903 -2.495 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.463 -2.375 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.969 -2.734 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.183 -0.998 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.411 -1.609 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.946 -1.728 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.072 -3.739 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.463 -4.092 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.914 -3.978 5.260 1.00 0.00 H new ATOM 563 N GLU A 34 -15.777 0.087 -0.032 1.00 0.00 N ATOM 564 CA GLU A 34 -16.021 -0.236 -1.463 1.00 0.00 C ATOM 565 C GLU A 34 -14.677 -0.233 -2.185 1.00 0.00 C ATOM 566 O GLU A 34 -14.395 -1.070 -3.020 1.00 0.00 O ATOM 567 CB GLU A 34 -16.971 0.816 -2.062 1.00 0.00 C ATOM 568 CG GLU A 34 -16.202 2.065 -2.511 1.00 0.00 C ATOM 569 CD GLU A 34 -17.094 2.910 -3.422 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.010 2.354 -4.004 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.846 4.101 -3.523 1.00 0.00 O ATOM 0 H GLU A 34 -16.133 0.992 0.275 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.485 -1.216 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.503 0.388 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.722 1.094 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.894 2.648 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.294 1.776 -3.039 1.00 0.00 H new ATOM 578 N LEU A 35 -13.845 0.706 -1.845 1.00 0.00 N ATOM 579 CA LEU A 35 -12.500 0.791 -2.472 1.00 0.00 C ATOM 580 C LEU A 35 -11.830 -0.586 -2.405 1.00 0.00 C ATOM 581 O LEU A 35 -11.356 -1.112 -3.396 1.00 0.00 O ATOM 582 CB LEU A 35 -11.664 1.813 -1.696 1.00 0.00 C ATOM 583 CG LEU A 35 -10.927 2.724 -2.679 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.087 1.874 -3.636 1.00 0.00 C ATOM 585 CD2 LEU A 35 -11.947 3.537 -3.479 1.00 0.00 C ATOM 0 H LEU A 35 -14.041 1.427 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.584 1.100 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.307 2.407 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.949 1.300 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.273 3.400 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.563 2.525 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.361 1.294 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.738 1.197 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.424 4.187 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.601 2.860 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.544 4.143 -2.798 1.00 0.00 H new ATOM 597 N ILE A 36 -11.802 -1.178 -1.241 1.00 0.00 N ATOM 598 CA ILE A 36 -11.175 -2.522 -1.096 1.00 0.00 C ATOM 599 C ILE A 36 -11.970 -3.536 -1.909 1.00 0.00 C ATOM 600 O ILE A 36 -11.453 -4.204 -2.780 1.00 0.00 O ATOM 601 CB ILE A 36 -11.193 -2.946 0.371 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.945 -1.709 1.257 1.00 0.00 C ATOM 603 CG2 ILE A 36 -10.113 -4.005 0.580 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.179 -2.086 2.533 1.00 0.00 C ATOM 0 H ILE A 36 -12.188 -0.786 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.146 -2.477 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.159 -3.370 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.380 -0.964 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.898 -1.252 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.110 -4.321 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.317 -4.864 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.139 -3.587 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.019 -1.194 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.758 -2.812 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.216 -2.520 2.264 1.00 0.00 H new ATOM 616 N ASN A 37 -13.235 -3.646 -1.631 1.00 0.00 N ATOM 617 CA ASN A 37 -14.093 -4.608 -2.377 1.00 0.00 C ATOM 618 C ASN A 37 -14.175 -4.221 -3.862 1.00 0.00 C ATOM 619 O ASN A 37 -14.856 -4.862 -4.635 1.00 0.00 O ATOM 620 CB ASN A 37 -15.497 -4.586 -1.781 1.00 0.00 C ATOM 621 CG ASN A 37 -16.343 -5.683 -2.426 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.431 -6.781 -1.912 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.975 -5.432 -3.541 1.00 0.00 N ATOM 0 H ASN A 37 -13.718 -3.107 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.659 -5.604 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.448 -4.737 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.958 -3.612 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.542 -6.157 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.901 -4.511 -3.973 1.00 0.00 H new ATOM 630 N ASN A 38 -13.494 -3.186 -4.274 1.00 0.00 N ATOM 631 CA ASN A 38 -13.548 -2.785 -5.707 1.00 0.00 C ATOM 632 C ASN A 38 -12.483 -3.566 -6.475 1.00 0.00 C ATOM 633 O ASN A 38 -12.761 -4.204 -7.471 1.00 0.00 O ATOM 634 CB ASN A 38 -13.276 -1.286 -5.832 1.00 0.00 C ATOM 635 CG ASN A 38 -13.650 -0.815 -7.239 1.00 0.00 C ATOM 636 OD1 ASN A 38 -14.757 -0.372 -7.469 1.00 0.00 O ATOM 637 ND2 ASN A 38 -12.766 -0.892 -8.197 1.00 0.00 N ATOM 0 H ASN A 38 -12.904 -2.603 -3.681 1.00 0.00 H new ATOM 0 HA ASN A 38 -14.535 -3.002 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -13.854 -0.738 -5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -12.224 -1.079 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.005 -0.580 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.836 -1.264 -8.004 1.00 0.00 H new ATOM 644 N GLU A 39 -11.266 -3.531 -6.007 1.00 0.00 N ATOM 645 CA GLU A 39 -10.181 -4.281 -6.697 1.00 0.00 C ATOM 646 C GLU A 39 -9.829 -5.517 -5.860 1.00 0.00 C ATOM 647 O GLU A 39 -9.736 -6.620 -6.360 1.00 0.00 O ATOM 648 CB GLU A 39 -8.945 -3.365 -6.852 1.00 0.00 C ATOM 649 CG GLU A 39 -7.681 -4.065 -6.323 1.00 0.00 C ATOM 650 CD GLU A 39 -6.484 -3.130 -6.398 1.00 0.00 C ATOM 651 OE1 GLU A 39 -6.641 -1.970 -6.066 1.00 0.00 O ATOM 652 OE2 GLU A 39 -5.426 -3.599 -6.780 1.00 0.00 O ATOM 0 H GLU A 39 -10.977 -3.015 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.508 -4.597 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.810 -3.103 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.106 -2.434 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.838 -4.382 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.485 -4.964 -6.907 1.00 0.00 H new ATOM 659 N LEU A 40 -9.608 -5.322 -4.591 1.00 0.00 N ATOM 660 CA LEU A 40 -9.234 -6.456 -3.706 1.00 0.00 C ATOM 661 C LEU A 40 -10.319 -7.528 -3.747 1.00 0.00 C ATOM 662 O LEU A 40 -10.035 -8.705 -3.846 1.00 0.00 O ATOM 663 CB LEU A 40 -9.069 -5.935 -2.282 1.00 0.00 C ATOM 664 CG LEU A 40 -7.612 -5.543 -2.059 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.183 -4.489 -3.082 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.452 -4.973 -0.655 1.00 0.00 C ATOM 0 H LEU A 40 -9.671 -4.416 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.297 -6.897 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.719 -5.075 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.366 -6.700 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.986 -6.428 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.141 -4.219 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.292 -4.893 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.810 -3.603 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.411 -4.692 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.087 -4.094 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.743 -5.725 0.078 1.00 0.00 H new ATOM 678 N SER A 41 -11.557 -7.130 -3.671 1.00 0.00 N ATOM 679 CA SER A 41 -12.665 -8.131 -3.708 1.00 0.00 C ATOM 680 C SER A 41 -12.358 -9.197 -4.764 1.00 0.00 C ATOM 681 O SER A 41 -12.788 -10.329 -4.661 1.00 0.00 O ATOM 682 CB SER A 41 -13.974 -7.433 -4.070 1.00 0.00 C ATOM 683 OG SER A 41 -14.859 -8.374 -4.661 1.00 0.00 O ATOM 0 H SER A 41 -11.852 -6.157 -3.585 1.00 0.00 H new ATOM 0 HA SER A 41 -12.757 -8.600 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.427 -7.000 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.783 -6.612 -4.761 1.00 0.00 H new ATOM 0 HG SER A 41 -15.701 -7.930 -4.893 1.00 0.00 H new ATOM 689 N HIS A 42 -11.619 -8.844 -5.781 1.00 0.00 N ATOM 690 CA HIS A 42 -11.283 -9.833 -6.845 1.00 0.00 C ATOM 691 C HIS A 42 -10.554 -11.026 -6.221 1.00 0.00 C ATOM 692 O HIS A 42 -10.949 -12.163 -6.384 1.00 0.00 O ATOM 693 CB HIS A 42 -10.379 -9.173 -7.890 1.00 0.00 C ATOM 694 CG HIS A 42 -10.582 -9.836 -9.225 1.00 0.00 C ATOM 695 ND1 HIS A 42 -11.036 -11.141 -9.341 1.00 0.00 N ATOM 696 CD2 HIS A 42 -10.398 -9.388 -10.511 1.00 0.00 C ATOM 697 CE1 HIS A 42 -11.108 -11.430 -10.653 1.00 0.00 C ATOM 698 NE2 HIS A 42 -10.731 -10.396 -11.410 1.00 0.00 N ATOM 0 H HIS A 42 -11.232 -7.911 -5.921 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.200 -10.177 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.607 -8.110 -7.963 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.335 -9.256 -7.587 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.048 -8.403 -10.782 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.431 -12.382 -11.046 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.695 -10.354 -12.429 1.00 0.00 H new ATOM 706 N PHE A 43 -9.490 -10.777 -5.507 1.00 0.00 N ATOM 707 CA PHE A 43 -8.736 -11.898 -4.873 1.00 0.00 C ATOM 708 C PHE A 43 -9.503 -12.411 -3.651 1.00 0.00 C ATOM 709 O PHE A 43 -9.065 -13.317 -2.969 1.00 0.00 O ATOM 710 CB PHE A 43 -7.357 -11.402 -4.431 1.00 0.00 C ATOM 711 CG PHE A 43 -6.856 -10.367 -5.409 1.00 0.00 C ATOM 712 CD1 PHE A 43 -7.077 -10.536 -6.780 1.00 0.00 C ATOM 713 CD2 PHE A 43 -6.169 -9.240 -4.944 1.00 0.00 C ATOM 714 CE1 PHE A 43 -6.612 -9.578 -7.689 1.00 0.00 C ATOM 715 CE2 PHE A 43 -5.705 -8.281 -5.853 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.927 -8.451 -7.224 1.00 0.00 C ATOM 0 H PHE A 43 -9.110 -9.846 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.621 -12.706 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.417 -10.973 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.658 -12.237 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.607 -11.406 -7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.997 -9.110 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.782 -9.709 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.176 -7.410 -5.496 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.569 -7.711 -7.924 1.00 0.00 H new ATOM 726 N LEU A 44 -10.641 -11.840 -3.366 1.00 0.00 N ATOM 727 CA LEU A 44 -11.427 -12.297 -2.186 1.00 0.00 C ATOM 728 C LEU A 44 -12.102 -13.633 -2.504 1.00 0.00 C ATOM 729 O LEU A 44 -13.067 -13.692 -3.239 1.00 0.00 O ATOM 730 CB LEU A 44 -12.493 -11.252 -1.847 1.00 0.00 C ATOM 731 CG LEU A 44 -12.877 -11.377 -0.371 1.00 0.00 C ATOM 732 CD1 LEU A 44 -13.219 -9.994 0.187 1.00 0.00 C ATOM 733 CD2 LEU A 44 -14.093 -12.294 -0.239 1.00 0.00 C ATOM 0 H LEU A 44 -11.060 -11.078 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.759 -12.424 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.114 -10.251 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.372 -11.396 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.041 -11.797 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.493 -10.083 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.353 -9.339 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.055 -9.573 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.368 -12.384 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.929 -11.873 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.850 -13.279 -0.637 1.00 0.00 H new ATOM 745 N GLU A 45 -11.602 -14.704 -1.951 1.00 0.00 N ATOM 746 CA GLU A 45 -12.213 -16.038 -2.216 1.00 0.00 C ATOM 747 C GLU A 45 -11.974 -16.950 -1.012 1.00 0.00 C ATOM 748 O GLU A 45 -12.864 -17.635 -0.547 1.00 0.00 O ATOM 749 CB GLU A 45 -11.579 -16.662 -3.464 1.00 0.00 C ATOM 750 CG GLU A 45 -10.146 -16.152 -3.630 1.00 0.00 C ATOM 751 CD GLU A 45 -9.279 -17.256 -4.241 1.00 0.00 C ATOM 752 OE1 GLU A 45 -9.189 -18.313 -3.638 1.00 0.00 O ATOM 753 OE2 GLU A 45 -8.721 -17.025 -5.301 1.00 0.00 O ATOM 0 H GLU A 45 -10.796 -14.713 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.284 -15.919 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.580 -17.749 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.168 -16.411 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.134 -15.270 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.742 -15.850 -2.664 1.00 0.00 H new ATOM 760 N GLU A 46 -10.776 -16.956 -0.499 1.00 0.00 N ATOM 761 CA GLU A 46 -10.468 -17.814 0.681 1.00 0.00 C ATOM 762 C GLU A 46 -9.925 -16.935 1.809 1.00 0.00 C ATOM 763 O GLU A 46 -10.263 -17.108 2.964 1.00 0.00 O ATOM 764 CB GLU A 46 -9.420 -18.861 0.295 1.00 0.00 C ATOM 765 CG GLU A 46 -10.071 -19.937 -0.576 1.00 0.00 C ATOM 766 CD GLU A 46 -9.162 -21.167 -0.635 1.00 0.00 C ATOM 767 OE1 GLU A 46 -9.101 -21.883 0.351 1.00 0.00 O ATOM 768 OE2 GLU A 46 -8.542 -21.371 -1.667 1.00 0.00 O ATOM 0 H GLU A 46 -9.993 -16.402 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.374 -18.321 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.600 -18.388 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.994 -19.312 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.044 -20.210 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.244 -19.551 -1.581 1.00 0.00 H new ATOM 775 N ILE A 47 -9.090 -15.989 1.478 1.00 0.00 N ATOM 776 CA ILE A 47 -8.528 -15.089 2.524 1.00 0.00 C ATOM 777 C ILE A 47 -7.749 -15.913 3.554 1.00 0.00 C ATOM 778 O ILE A 47 -8.273 -16.294 4.581 1.00 0.00 O ATOM 779 CB ILE A 47 -9.666 -14.349 3.226 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.498 -13.588 2.190 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.086 -13.359 4.238 1.00 0.00 C ATOM 782 CD1 ILE A 47 -11.766 -13.043 2.852 1.00 0.00 C ATOM 0 H ILE A 47 -8.772 -15.800 0.527 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.857 -14.370 2.054 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.299 -15.069 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.914 -12.769 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.762 -14.248 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.899 -12.832 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.495 -13.899 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.451 -12.640 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.358 -12.501 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.353 -13.871 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.492 -12.368 3.663 1.00 0.00 H new ATOM 794 N LYS A 48 -6.498 -16.183 3.292 1.00 0.00 N ATOM 795 CA LYS A 48 -5.692 -16.973 4.265 1.00 0.00 C ATOM 796 C LYS A 48 -5.616 -16.206 5.587 1.00 0.00 C ATOM 797 O LYS A 48 -5.739 -16.773 6.654 1.00 0.00 O ATOM 798 CB LYS A 48 -4.280 -17.179 3.713 1.00 0.00 C ATOM 799 CG LYS A 48 -3.662 -18.430 4.346 1.00 0.00 C ATOM 800 CD LYS A 48 -2.256 -18.105 4.852 1.00 0.00 C ATOM 801 CE LYS A 48 -1.790 -19.208 5.805 1.00 0.00 C ATOM 802 NZ LYS A 48 -2.813 -19.411 6.870 1.00 0.00 N ATOM 0 H LYS A 48 -6.002 -15.892 2.450 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.159 -17.944 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.314 -17.286 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.663 -16.307 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.285 -18.779 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.619 -19.237 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.566 -18.020 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.255 -17.143 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.633 -20.136 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.833 -18.937 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.351 -19.763 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.285 -18.507 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.518 -20.104 6.547 1.00 0.00 H new ATOM 816 N GLU A 49 -5.422 -14.917 5.519 1.00 0.00 N ATOM 817 CA GLU A 49 -5.346 -14.106 6.766 1.00 0.00 C ATOM 818 C GLU A 49 -6.749 -13.624 7.135 1.00 0.00 C ATOM 819 O GLU A 49 -7.103 -12.481 6.915 1.00 0.00 O ATOM 820 CB GLU A 49 -4.437 -12.897 6.533 1.00 0.00 C ATOM 821 CG GLU A 49 -3.023 -13.222 7.015 1.00 0.00 C ATOM 822 CD GLU A 49 -2.982 -13.187 8.544 1.00 0.00 C ATOM 823 OE1 GLU A 49 -3.903 -12.639 9.129 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.031 -13.708 9.103 1.00 0.00 O ATOM 0 H GLU A 49 -5.313 -14.390 4.652 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.940 -14.713 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.421 -12.639 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.824 -12.029 7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.722 -14.206 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.314 -12.503 6.605 1.00 0.00 H new ATOM 831 N GLN A 50 -7.554 -14.487 7.691 1.00 0.00 N ATOM 832 CA GLN A 50 -8.936 -14.080 8.068 1.00 0.00 C ATOM 833 C GLN A 50 -8.878 -12.981 9.130 1.00 0.00 C ATOM 834 O GLN A 50 -9.777 -12.175 9.252 1.00 0.00 O ATOM 835 CB GLN A 50 -9.690 -15.289 8.626 1.00 0.00 C ATOM 836 CG GLN A 50 -11.196 -15.036 8.536 1.00 0.00 C ATOM 837 CD GLN A 50 -11.895 -15.665 9.744 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.250 -16.208 10.620 1.00 0.00 O ATOM 839 NE2 GLN A 50 -13.196 -15.617 9.828 1.00 0.00 N ATOM 0 H GLN A 50 -7.314 -15.456 7.900 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.454 -13.703 7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.427 -16.186 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.401 -15.465 9.662 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.394 -13.965 8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.592 -15.459 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.738 -15.162 9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.671 -16.035 10.628 1.00 0.00 H new ATOM 848 N GLU A 51 -7.828 -12.941 9.903 1.00 0.00 N ATOM 849 CA GLU A 51 -7.724 -11.893 10.958 1.00 0.00 C ATOM 850 C GLU A 51 -7.351 -10.553 10.318 1.00 0.00 C ATOM 851 O GLU A 51 -7.694 -9.501 10.818 1.00 0.00 O ATOM 852 CB GLU A 51 -6.647 -12.293 11.968 1.00 0.00 C ATOM 853 CG GLU A 51 -7.020 -11.761 13.352 1.00 0.00 C ATOM 854 CD GLU A 51 -6.372 -12.635 14.429 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.239 -12.355 14.787 1.00 0.00 O ATOM 856 OE2 GLU A 51 -7.017 -13.568 14.877 1.00 0.00 O ATOM 0 H GLU A 51 -7.040 -13.586 9.851 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.683 -11.795 11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.548 -13.378 11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.680 -11.893 11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.687 -10.729 13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.103 -11.760 13.473 1.00 0.00 H new ATOM 863 N VAL A 52 -6.648 -10.580 9.219 1.00 0.00 N ATOM 864 CA VAL A 52 -6.253 -9.305 8.557 1.00 0.00 C ATOM 865 C VAL A 52 -7.476 -8.672 7.891 1.00 0.00 C ATOM 866 O VAL A 52 -7.773 -7.511 8.095 1.00 0.00 O ATOM 867 CB VAL A 52 -5.183 -9.588 7.501 1.00 0.00 C ATOM 868 CG1 VAL A 52 -4.873 -8.304 6.730 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.910 -10.087 8.189 1.00 0.00 C ATOM 0 H VAL A 52 -6.330 -11.429 8.751 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.853 -8.618 9.303 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.547 -10.348 6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.111 -8.506 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.779 -7.945 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.508 -7.544 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.146 -10.289 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.547 -9.326 8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.129 -11.002 8.740 1.00 0.00 H new ATOM 879 N VAL A 53 -8.188 -9.421 7.097 1.00 0.00 N ATOM 880 CA VAL A 53 -9.390 -8.853 6.426 1.00 0.00 C ATOM 881 C VAL A 53 -10.503 -8.669 7.455 1.00 0.00 C ATOM 882 O VAL A 53 -11.347 -7.806 7.323 1.00 0.00 O ATOM 883 CB VAL A 53 -9.862 -9.804 5.327 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.195 -9.311 4.763 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.821 -9.846 4.206 1.00 0.00 C ATOM 0 H VAL A 53 -7.991 -10.399 6.884 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.138 -7.889 5.984 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.990 -10.803 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.532 -9.989 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.938 -9.280 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.067 -8.311 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.158 -10.524 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.693 -8.846 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.870 -10.197 4.606 1.00 0.00 H new ATOM 895 N ASP A 54 -10.510 -9.467 8.486 1.00 0.00 N ATOM 896 CA ASP A 54 -11.563 -9.323 9.526 1.00 0.00 C ATOM 897 C ASP A 54 -11.217 -8.129 10.412 1.00 0.00 C ATOM 898 O ASP A 54 -12.063 -7.575 11.084 1.00 0.00 O ATOM 899 CB ASP A 54 -11.626 -10.592 10.381 1.00 0.00 C ATOM 900 CG ASP A 54 -12.280 -11.718 9.577 1.00 0.00 C ATOM 901 OD1 ASP A 54 -11.949 -11.854 8.410 1.00 0.00 O ATOM 902 OD2 ASP A 54 -13.097 -12.425 10.143 1.00 0.00 O ATOM 0 H ASP A 54 -9.833 -10.211 8.652 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.531 -9.168 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.623 -10.886 10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.196 -10.402 11.291 1.00 0.00 H new ATOM 907 N LYS A 55 -9.976 -7.723 10.413 1.00 0.00 N ATOM 908 CA LYS A 55 -9.575 -6.562 11.250 1.00 0.00 C ATOM 909 C LYS A 55 -9.985 -5.270 10.540 1.00 0.00 C ATOM 910 O LYS A 55 -10.672 -4.438 11.097 1.00 0.00 O ATOM 911 CB LYS A 55 -8.061 -6.585 11.453 1.00 0.00 C ATOM 912 CG LYS A 55 -7.622 -5.305 12.164 1.00 0.00 C ATOM 913 CD LYS A 55 -6.657 -4.537 11.264 1.00 0.00 C ATOM 914 CE LYS A 55 -5.786 -3.615 12.121 1.00 0.00 C ATOM 915 NZ LYS A 55 -4.352 -3.979 11.939 1.00 0.00 N ATOM 0 H LYS A 55 -9.224 -8.147 9.869 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.067 -6.614 12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.776 -7.457 12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.556 -6.671 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.490 -4.688 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.140 -5.548 13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.030 -5.233 10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.213 -3.952 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.948 -2.575 11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.065 -3.705 13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.759 -3.354 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.205 -4.966 12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.091 -3.872 10.938 1.00 0.00 H new ATOM 929 N VAL A 56 -9.580 -5.097 9.309 1.00 0.00 N ATOM 930 CA VAL A 56 -9.961 -3.863 8.570 1.00 0.00 C ATOM 931 C VAL A 56 -11.469 -3.882 8.322 1.00 0.00 C ATOM 932 O VAL A 56 -12.145 -2.880 8.448 1.00 0.00 O ATOM 933 CB VAL A 56 -9.227 -3.821 7.228 1.00 0.00 C ATOM 934 CG1 VAL A 56 -7.747 -3.520 7.454 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.361 -5.168 6.514 1.00 0.00 C ATOM 0 H VAL A 56 -9.003 -5.757 8.787 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.690 -2.984 9.155 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.670 -3.038 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.231 -3.492 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.644 -2.555 7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.309 -4.298 8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.835 -5.128 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.928 -5.953 7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.415 -5.384 6.339 1.00 0.00 H new ATOM 945 N MET A 57 -11.995 -5.020 7.977 1.00 0.00 N ATOM 946 CA MET A 57 -13.455 -5.128 7.726 1.00 0.00 C ATOM 947 C MET A 57 -14.197 -4.908 9.043 1.00 0.00 C ATOM 948 O MET A 57 -15.341 -4.505 9.064 1.00 0.00 O ATOM 949 CB MET A 57 -13.768 -6.525 7.188 1.00 0.00 C ATOM 950 CG MET A 57 -15.268 -6.653 6.931 1.00 0.00 C ATOM 951 SD MET A 57 -15.544 -7.297 5.261 1.00 0.00 S ATOM 952 CE MET A 57 -14.491 -6.118 4.377 1.00 0.00 C ATOM 0 H MET A 57 -11.472 -5.887 7.857 1.00 0.00 H new ATOM 0 HA MET A 57 -13.769 -4.381 6.997 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.215 -6.703 6.266 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.446 -7.281 7.904 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.718 -7.319 7.668 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.751 -5.682 7.042 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.885 -5.960 3.373 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.476 -5.170 4.914 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.478 -6.514 4.311 1.00 0.00 H new ATOM 962 N GLU A 58 -13.547 -5.167 10.144 1.00 0.00 N ATOM 963 CA GLU A 58 -14.209 -4.966 11.465 1.00 0.00 C ATOM 964 C GLU A 58 -14.335 -3.467 11.742 1.00 0.00 C ATOM 965 O GLU A 58 -15.414 -2.961 11.980 1.00 0.00 O ATOM 966 CB GLU A 58 -13.371 -5.621 12.567 1.00 0.00 C ATOM 967 CG GLU A 58 -14.031 -6.931 13.002 1.00 0.00 C ATOM 968 CD GLU A 58 -14.113 -6.981 14.530 1.00 0.00 C ATOM 969 OE1 GLU A 58 -13.079 -6.856 15.164 1.00 0.00 O ATOM 970 OE2 GLU A 58 -15.210 -7.146 15.039 1.00 0.00 O ATOM 0 H GLU A 58 -12.587 -5.509 10.187 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.199 -5.421 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.361 -5.813 12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.281 -4.947 13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.029 -7.008 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.457 -7.780 12.630 1.00 0.00 H new ATOM 977 N THR A 59 -13.245 -2.745 11.701 1.00 0.00 N ATOM 978 CA THR A 59 -13.329 -1.279 11.951 1.00 0.00 C ATOM 979 C THR A 59 -14.217 -0.658 10.876 1.00 0.00 C ATOM 980 O THR A 59 -14.854 0.356 11.080 1.00 0.00 O ATOM 981 CB THR A 59 -11.930 -0.661 11.882 1.00 0.00 C ATOM 982 OG1 THR A 59 -10.961 -1.650 12.207 1.00 0.00 O ATOM 983 CG2 THR A 59 -11.834 0.498 12.875 1.00 0.00 C ATOM 0 H THR A 59 -12.310 -3.104 11.507 1.00 0.00 H new ATOM 0 HA THR A 59 -13.748 -1.092 12.940 1.00 0.00 H new ATOM 0 HB THR A 59 -11.745 -0.289 10.874 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.064 -1.257 12.162 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.838 0.938 12.826 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.578 1.255 12.624 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.018 0.129 13.884 1.00 0.00 H new ATOM 991 N LEU A 60 -14.265 -1.278 9.730 1.00 0.00 N ATOM 992 CA LEU A 60 -15.109 -0.756 8.623 1.00 0.00 C ATOM 993 C LEU A 60 -16.585 -0.848 9.020 1.00 0.00 C ATOM 994 O LEU A 60 -17.319 0.119 8.954 1.00 0.00 O ATOM 995 CB LEU A 60 -14.861 -1.609 7.378 1.00 0.00 C ATOM 996 CG LEU A 60 -13.782 -0.952 6.518 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.408 -1.884 5.364 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.312 0.369 5.955 1.00 0.00 C ATOM 0 H LEU A 60 -13.750 -2.131 9.513 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.858 0.285 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.549 -2.613 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.783 -1.714 6.806 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.900 -0.760 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.638 -1.414 4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.029 -2.825 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.289 -2.078 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.543 0.838 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.195 0.177 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.577 1.035 6.777 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.020 -2.008 9.427 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.446 -2.179 9.826 1.00 0.00 C ATOM 1012 C ASP A 61 -18.693 -1.516 11.184 1.00 0.00 C ATOM 1013 O ASP A 61 -19.820 -1.300 11.581 1.00 0.00 O ATOM 1014 CB ASP A 61 -18.761 -3.675 9.929 1.00 0.00 C ATOM 1015 CG ASP A 61 -19.872 -4.031 8.941 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -19.657 -3.860 7.751 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -20.918 -4.470 9.389 1.00 0.00 O ATOM 0 H ASP A 61 -16.447 -2.849 9.501 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.088 -1.712 9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.867 -4.261 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.069 -3.924 10.945 1.00 0.00 H new ATOM 1022 N GLU A 62 -17.652 -1.195 11.901 1.00 0.00 N ATOM 1023 CA GLU A 62 -17.839 -0.552 13.233 1.00 0.00 C ATOM 1024 C GLU A 62 -18.456 0.835 13.052 1.00 0.00 C ATOM 1025 O GLU A 62 -19.553 1.103 13.501 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.485 -0.422 13.933 1.00 0.00 C ATOM 1027 CG GLU A 62 -16.643 -0.761 15.417 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.295 -0.610 16.122 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -14.330 -1.184 15.643 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -15.249 0.076 17.129 1.00 0.00 O ATOM 0 H GLU A 62 -16.683 -1.349 11.624 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.504 -1.166 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.759 -1.092 13.471 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.101 0.592 13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.380 -0.102 15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.012 -1.780 15.531 1.00 0.00 H new ATOM 1037 N ASP A 63 -17.756 1.719 12.402 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.297 3.092 12.192 1.00 0.00 C ATOM 1039 C ASP A 63 -19.242 3.093 10.992 1.00 0.00 C ATOM 1040 O ASP A 63 -20.438 3.255 11.129 1.00 0.00 O ATOM 1041 CB ASP A 63 -17.144 4.060 11.929 1.00 0.00 C ATOM 1042 CG ASP A 63 -16.863 4.875 13.192 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -16.079 4.416 14.006 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -17.436 5.944 13.324 1.00 0.00 O ATOM 0 H ASP A 63 -16.831 1.552 12.006 1.00 0.00 H new ATOM 0 HA ASP A 63 -18.841 3.405 13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.252 3.508 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.395 4.725 11.103 1.00 0.00 H new ATOM 1049 N GLY A 64 -18.711 2.913 9.816 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.573 2.906 8.600 1.00 0.00 C ATOM 1051 C GLY A 64 -19.673 4.324 8.036 1.00 0.00 C ATOM 1052 O GLY A 64 -19.647 4.532 6.839 1.00 0.00 O ATOM 0 H GLY A 64 -17.716 2.770 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.156 2.234 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.566 2.531 8.848 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.785 5.304 8.891 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.885 6.709 8.407 1.00 0.00 C ATOM 1058 C ASP A 65 -18.782 7.547 9.054 1.00 0.00 C ATOM 1059 O ASP A 65 -19.029 8.609 9.589 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.251 7.284 8.788 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.557 8.501 7.912 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -20.928 9.527 8.115 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -22.416 8.388 7.052 1.00 0.00 O ATOM 0 H ASP A 65 -19.812 5.191 9.904 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.772 6.730 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.024 6.527 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.256 7.570 9.840 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.564 7.077 9.011 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.450 7.845 9.625 1.00 0.00 C ATOM 1070 C GLY A 66 -15.555 8.423 8.525 1.00 0.00 C ATOM 1071 O GLY A 66 -15.878 8.370 7.355 1.00 0.00 O ATOM 0 H GLY A 66 -17.295 6.194 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.848 8.649 10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.866 7.198 10.280 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.431 8.976 8.893 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.518 9.560 7.870 1.00 0.00 C ATOM 1077 C GLU A 67 -12.128 8.933 8.005 1.00 0.00 C ATOM 1078 O GLU A 67 -11.654 8.676 9.093 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.420 11.071 8.082 1.00 0.00 C ATOM 1080 CG GLU A 67 -14.688 11.747 7.555 1.00 0.00 C ATOM 1081 CD GLU A 67 -15.176 12.784 8.569 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -15.793 12.386 9.544 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -14.923 13.958 8.353 1.00 0.00 O ATOM 0 H GLU A 67 -14.106 9.048 9.857 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.910 9.356 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.292 11.292 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.544 11.465 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.485 12.227 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.464 11.002 7.380 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.468 8.690 6.903 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.108 8.084 6.963 1.00 0.00 C ATOM 1092 C CYS A 68 -9.079 9.098 6.466 1.00 0.00 C ATOM 1093 O CYS A 68 -9.411 10.071 5.818 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.065 6.838 6.076 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.408 5.719 6.547 1.00 0.00 S ATOM 0 H CYS A 68 -11.814 8.886 5.964 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.878 7.805 7.991 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.163 7.121 5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.104 6.335 6.182 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.509 4.768 5.667 1.00 0.00 H new ATOM 1101 N ASP A 69 -7.828 8.880 6.766 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.780 9.834 6.311 1.00 0.00 C ATOM 1103 C ASP A 69 -6.214 9.367 4.969 1.00 0.00 C ATOM 1104 O ASP A 69 -6.516 8.289 4.498 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.656 9.888 7.347 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.187 10.491 8.650 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -6.690 9.737 9.467 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.083 11.697 8.806 1.00 0.00 O ATOM 0 H ASP A 69 -7.488 8.084 7.305 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.217 10.826 6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.268 8.886 7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.827 10.487 6.969 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.393 10.169 4.350 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.808 9.768 3.040 1.00 0.00 C ATOM 1115 C PHE A 70 -3.808 8.633 3.259 1.00 0.00 C ATOM 1116 O PHE A 70 -3.724 7.707 2.478 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.090 10.964 2.410 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.157 11.577 3.425 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -1.893 11.017 3.644 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -3.556 12.708 4.148 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -1.028 11.585 4.585 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -2.692 13.277 5.090 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.428 12.716 5.309 1.00 0.00 C ATOM 0 H PHE A 70 -5.102 11.084 4.694 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.604 9.433 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.530 10.645 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.817 11.703 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.585 10.145 3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.531 13.141 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.053 11.152 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.000 14.149 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.761 13.155 6.036 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.047 8.698 4.317 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.055 7.621 4.583 1.00 0.00 C ATOM 1135 C GLN A 71 -2.772 6.405 5.177 1.00 0.00 C ATOM 1136 O GLN A 71 -2.354 5.279 4.996 1.00 0.00 O ATOM 1137 CB GLN A 71 -0.989 8.130 5.559 1.00 0.00 C ATOM 1138 CG GLN A 71 -1.545 8.139 6.986 1.00 0.00 C ATOM 1139 CD GLN A 71 -1.228 6.807 7.670 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -2.078 6.224 8.313 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -0.031 6.298 7.563 1.00 0.00 N ATOM 0 H GLN A 71 -3.070 9.449 5.007 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.571 7.332 3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.105 7.494 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.675 9.135 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.109 8.962 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.623 8.301 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.684 6.786 7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.189 5.412 8.019 1.00 0.00 H new ATOM 1150 N GLU A 72 -3.853 6.620 5.881 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.593 5.470 6.473 1.00 0.00 C ATOM 1152 C GLU A 72 -5.218 4.648 5.347 1.00 0.00 C ATOM 1153 O GLU A 72 -4.933 3.478 5.188 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.695 5.993 7.399 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.197 5.988 8.846 1.00 0.00 C ATOM 1156 CD GLU A 72 -5.981 4.949 9.652 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -6.168 3.854 9.147 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -6.382 5.266 10.761 1.00 0.00 O ATOM 0 H GLU A 72 -4.253 7.539 6.070 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.908 4.846 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.981 7.003 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.585 5.371 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.132 5.758 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.322 6.976 9.288 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.057 5.258 4.553 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.686 4.517 3.427 1.00 0.00 C ATOM 1167 C PHE A 73 -5.579 3.822 2.623 1.00 0.00 C ATOM 1168 O PHE A 73 -5.814 2.860 1.920 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.474 5.519 2.550 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.219 5.289 1.073 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -7.941 4.313 0.379 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -6.262 6.059 0.401 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -7.707 4.104 -0.985 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -6.027 5.851 -0.964 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.749 4.874 -1.656 1.00 0.00 C ATOM 0 H PHE A 73 -6.332 6.237 4.637 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.380 3.760 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.540 5.423 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.189 6.537 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.680 3.720 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.705 6.814 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.265 3.349 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.288 6.445 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.568 4.713 -2.708 1.00 0.00 H new ATOM 1185 N MET A 74 -4.373 4.308 2.728 1.00 0.00 N ATOM 1186 CA MET A 74 -3.243 3.690 1.980 1.00 0.00 C ATOM 1187 C MET A 74 -2.844 2.375 2.641 1.00 0.00 C ATOM 1188 O MET A 74 -2.958 1.314 2.060 1.00 0.00 O ATOM 1189 CB MET A 74 -2.044 4.640 2.009 1.00 0.00 C ATOM 1190 CG MET A 74 -1.499 4.842 0.594 1.00 0.00 C ATOM 1191 SD MET A 74 -2.777 5.579 -0.452 1.00 0.00 S ATOM 1192 CE MET A 74 -3.298 4.049 -1.261 1.00 0.00 C ATOM 0 H MET A 74 -4.121 5.112 3.303 1.00 0.00 H new ATOM 0 HA MET A 74 -3.552 3.503 0.952 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.340 5.599 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.264 4.234 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.621 5.487 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.180 3.887 0.177 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.835 4.287 -2.179 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.421 3.446 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.953 3.489 -0.593 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.364 2.439 3.848 1.00 0.00 N ATOM 1203 CA ALA A 75 -1.942 1.197 4.546 1.00 0.00 C ATOM 1204 C ALA A 75 -3.129 0.241 4.652 1.00 0.00 C ATOM 1205 O ALA A 75 -2.969 -0.929 4.929 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.435 1.544 5.948 1.00 0.00 C ATOM 0 H ALA A 75 -2.245 3.300 4.383 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.142 0.718 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.126 0.632 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.585 2.222 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.232 2.025 6.515 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.317 0.733 4.432 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.516 -0.146 4.512 1.00 0.00 C ATOM 1214 C PHE A 76 -5.642 -0.951 3.216 1.00 0.00 C ATOM 1215 O PHE A 76 -5.857 -2.144 3.235 1.00 0.00 O ATOM 1216 CB PHE A 76 -6.766 0.720 4.693 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.433 0.384 6.004 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.773 0.639 7.213 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -8.713 -0.179 6.012 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.395 0.329 8.429 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.336 -0.488 7.229 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.677 -0.234 8.437 1.00 0.00 C ATOM 0 H PHE A 76 -4.509 1.708 4.200 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.415 -0.827 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.495 1.776 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.459 0.552 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.785 1.075 7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.222 -0.376 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.886 0.524 9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.325 -0.922 7.234 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.157 -0.472 9.375 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.511 -0.302 2.091 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.626 -1.019 0.787 1.00 0.00 C ATOM 1234 C VAL A 77 -4.498 -2.046 0.646 1.00 0.00 C ATOM 1235 O VAL A 77 -4.640 -3.033 -0.040 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.527 0.000 -0.350 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.449 -0.731 -1.692 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.764 0.901 -0.333 1.00 0.00 C ATOM 0 H VAL A 77 -5.328 0.699 2.018 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.584 -1.538 0.745 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.630 0.605 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.379 -0.002 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.569 -1.374 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.344 -1.338 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.696 1.628 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.659 0.293 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.820 1.425 0.621 1.00 0.00 H new ATOM 1248 N SER A 78 -3.376 -1.814 1.269 1.00 0.00 N ATOM 1249 CA SER A 78 -2.239 -2.776 1.136 1.00 0.00 C ATOM 1250 C SER A 78 -2.423 -3.990 2.059 1.00 0.00 C ATOM 1251 O SER A 78 -2.207 -5.118 1.663 1.00 0.00 O ATOM 1252 CB SER A 78 -0.937 -2.065 1.502 1.00 0.00 C ATOM 1253 OG SER A 78 -0.828 -0.865 0.745 1.00 0.00 O ATOM 0 H SER A 78 -3.195 -1.005 1.863 1.00 0.00 H new ATOM 0 HA SER A 78 -2.208 -3.129 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.920 -1.839 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.085 -2.715 1.300 1.00 0.00 H new ATOM 0 HG SER A 78 -1.434 -0.189 1.114 1.00 0.00 H new ATOM 1259 N MET A 79 -2.785 -3.771 3.292 1.00 0.00 N ATOM 1260 CA MET A 79 -2.943 -4.913 4.242 1.00 0.00 C ATOM 1261 C MET A 79 -3.946 -5.942 3.708 1.00 0.00 C ATOM 1262 O MET A 79 -3.770 -7.132 3.878 1.00 0.00 O ATOM 1263 CB MET A 79 -3.420 -4.397 5.602 1.00 0.00 C ATOM 1264 CG MET A 79 -4.530 -3.358 5.418 1.00 0.00 C ATOM 1265 SD MET A 79 -4.935 -2.629 7.025 1.00 0.00 S ATOM 1266 CE MET A 79 -4.875 -4.159 7.992 1.00 0.00 C ATOM 0 H MET A 79 -2.979 -2.850 3.686 1.00 0.00 H new ATOM 0 HA MET A 79 -1.973 -5.398 4.350 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.787 -5.228 6.205 1.00 0.00 H new ATOM 0 HB3 MET A 79 -2.584 -3.954 6.144 1.00 0.00 H new ATOM 0 HG2 MET A 79 -4.207 -2.582 4.724 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.414 -3.825 4.984 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.381 -4.007 8.945 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.372 -4.957 7.441 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.836 -4.435 8.173 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.001 -5.502 3.085 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.011 -6.479 2.568 1.00 0.00 C ATOM 1278 C VAL A 80 -5.520 -7.136 1.267 1.00 0.00 C ATOM 1279 O VAL A 80 -5.815 -8.284 1.003 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.357 -5.783 2.308 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.266 -5.932 3.531 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.143 -4.296 2.026 1.00 0.00 C ATOM 0 H VAL A 80 -5.211 -4.519 2.910 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.145 -7.249 3.328 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.824 -6.251 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.218 -5.436 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.441 -6.990 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.787 -5.476 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.106 -3.818 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.662 -3.828 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.508 -4.180 1.147 1.00 0.00 H new ATOM 1292 N THR A 81 -4.784 -6.429 0.447 1.00 0.00 N ATOM 1293 CA THR A 81 -4.303 -7.045 -0.831 1.00 0.00 C ATOM 1294 C THR A 81 -3.336 -8.190 -0.518 1.00 0.00 C ATOM 1295 O THR A 81 -3.015 -8.994 -1.371 1.00 0.00 O ATOM 1296 CB THR A 81 -3.586 -5.991 -1.686 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.234 -4.740 -1.529 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.624 -6.399 -3.164 1.00 0.00 C ATOM 0 H THR A 81 -4.497 -5.463 0.603 1.00 0.00 H new ATOM 0 HA THR A 81 -5.160 -7.431 -1.383 1.00 0.00 H new ATOM 0 HB THR A 81 -2.548 -5.914 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.943 -4.324 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.113 -5.645 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.126 -7.361 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.660 -6.482 -3.492 1.00 0.00 H new ATOM 1306 N THR A 82 -2.872 -8.273 0.698 1.00 0.00 N ATOM 1307 CA THR A 82 -1.927 -9.367 1.062 1.00 0.00 C ATOM 1308 C THR A 82 -2.664 -10.421 1.894 1.00 0.00 C ATOM 1309 O THR A 82 -2.186 -11.523 2.082 1.00 0.00 O ATOM 1310 CB THR A 82 -0.769 -8.792 1.880 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.258 -7.764 2.730 1.00 0.00 O ATOM 1312 CG2 THR A 82 0.286 -8.218 0.933 1.00 0.00 C ATOM 0 H THR A 82 -3.106 -7.631 1.455 1.00 0.00 H new ATOM 0 HA THR A 82 -1.537 -9.826 0.154 1.00 0.00 H new ATOM 0 HB THR A 82 -0.321 -9.580 2.485 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.378 -6.941 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.112 -7.808 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.658 -9.008 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.159 -7.428 0.328 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.825 -10.091 2.391 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.593 -11.072 3.211 1.00 0.00 C ATOM 1322 C ALA A 83 -5.697 -11.697 2.356 1.00 0.00 C ATOM 1323 O ALA A 83 -6.504 -12.467 2.839 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.218 -10.356 4.409 1.00 0.00 C ATOM 0 H ALA A 83 -4.275 -9.184 2.265 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.922 -11.854 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.779 -11.072 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.431 -9.911 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.890 -9.574 4.055 1.00 0.00 H new ATOM 1330 N CYS A 84 -5.743 -11.373 1.091 1.00 0.00 N ATOM 1331 CA CYS A 84 -6.799 -11.951 0.213 1.00 0.00 C ATOM 1332 C CYS A 84 -6.257 -13.202 -0.484 1.00 0.00 C ATOM 1333 O CYS A 84 -7.006 -14.058 -0.911 1.00 0.00 O ATOM 1334 CB CYS A 84 -7.204 -10.918 -0.843 1.00 0.00 C ATOM 1335 SG CYS A 84 -8.298 -9.685 -0.094 1.00 0.00 S ATOM 0 H CYS A 84 -5.096 -10.734 0.629 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.667 -12.218 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.317 -10.433 -1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.709 -11.411 -1.674 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.586 -8.803 0.543 1.00 0.00 H new ATOM 1341 N HIS A 85 -4.963 -13.312 -0.603 1.00 0.00 N ATOM 1342 CA HIS A 85 -4.374 -14.504 -1.275 1.00 0.00 C ATOM 1343 C HIS A 85 -4.622 -14.408 -2.782 1.00 0.00 C ATOM 1344 O HIS A 85 -4.756 -13.329 -3.324 1.00 0.00 O ATOM 1345 CB HIS A 85 -5.020 -15.778 -0.728 1.00 0.00 C ATOM 1346 CG HIS A 85 -3.954 -16.809 -0.476 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -4.038 -18.099 -0.977 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -2.771 -16.756 0.222 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -2.936 -18.762 -0.578 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -2.131 -17.990 0.156 1.00 0.00 N ATOM 0 H HIS A 85 -4.287 -12.627 -0.264 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.302 -14.537 -1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.556 -15.560 0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.752 -16.162 -1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -2.395 -15.888 0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -2.728 -19.793 -0.822 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -1.239 -18.249 0.578 1.00 0.00 H new ATOM 1358 N GLU A 86 -4.681 -15.528 -3.456 1.00 0.00 N ATOM 1359 CA GLU A 86 -4.912 -15.513 -4.932 1.00 0.00 C ATOM 1360 C GLU A 86 -3.585 -15.245 -5.647 1.00 0.00 C ATOM 1361 O GLU A 86 -3.044 -16.103 -6.313 1.00 0.00 O ATOM 1362 CB GLU A 86 -5.922 -14.420 -5.294 1.00 0.00 C ATOM 1363 CG GLU A 86 -6.666 -14.814 -6.572 1.00 0.00 C ATOM 1364 CD GLU A 86 -5.655 -15.108 -7.683 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -5.079 -14.164 -8.199 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -5.473 -16.272 -7.999 1.00 0.00 O ATOM 0 H GLU A 86 -4.579 -16.456 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.310 -16.478 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.630 -14.280 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.409 -13.469 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.286 -15.692 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.335 -14.010 -6.878 1.00 0.00 H new ATOM 1373 N PHE A 87 -3.056 -14.061 -5.509 1.00 0.00 N ATOM 1374 CA PHE A 87 -1.762 -13.737 -6.169 1.00 0.00 C ATOM 1375 C PHE A 87 -0.676 -14.676 -5.619 1.00 0.00 C ATOM 1376 O PHE A 87 0.202 -15.114 -6.336 1.00 0.00 O ATOM 1377 CB PHE A 87 -1.424 -12.256 -5.889 1.00 0.00 C ATOM 1378 CG PHE A 87 0.018 -12.084 -5.455 1.00 0.00 C ATOM 1379 CD1 PHE A 87 1.058 -12.484 -6.302 1.00 0.00 C ATOM 1380 CD2 PHE A 87 0.309 -11.524 -4.204 1.00 0.00 C ATOM 1381 CE1 PHE A 87 2.389 -12.323 -5.899 1.00 0.00 C ATOM 1382 CE2 PHE A 87 1.639 -11.363 -3.802 1.00 0.00 C ATOM 1383 CZ PHE A 87 2.680 -11.763 -4.650 1.00 0.00 C ATOM 0 H PHE A 87 -3.466 -13.302 -4.965 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.823 -13.880 -7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.607 -11.665 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.086 -11.872 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.834 -12.917 -7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.494 -11.217 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.192 -12.631 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.863 -10.930 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.707 -11.639 -4.340 1.00 0.00 H new ATOM 1393 N PHE A 88 -0.733 -14.980 -4.351 1.00 0.00 N ATOM 1394 CA PHE A 88 0.292 -15.882 -3.751 1.00 0.00 C ATOM 1395 C PHE A 88 0.077 -17.312 -4.249 1.00 0.00 C ATOM 1396 O PHE A 88 0.947 -18.156 -4.139 1.00 0.00 O ATOM 1397 CB PHE A 88 0.165 -15.846 -2.226 1.00 0.00 C ATOM 1398 CG PHE A 88 0.532 -14.468 -1.726 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -0.422 -13.441 -1.739 1.00 0.00 C ATOM 1400 CD2 PHE A 88 1.824 -14.218 -1.254 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -0.080 -12.163 -1.276 1.00 0.00 C ATOM 1402 CE2 PHE A 88 2.164 -12.940 -0.791 1.00 0.00 C ATOM 1403 CZ PHE A 88 1.212 -11.914 -0.803 1.00 0.00 C ATOM 0 H PHE A 88 -1.446 -14.643 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 88 1.287 -15.547 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.854 -16.094 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.819 -16.594 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.419 -13.634 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.559 -15.009 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.814 -11.371 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.161 -12.746 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.476 -10.929 -0.447 1.00 0.00 H new ATOM 1413 N GLU A 89 -1.072 -17.593 -4.797 1.00 0.00 N ATOM 1414 CA GLU A 89 -1.338 -18.971 -5.302 1.00 0.00 C ATOM 1415 C GLU A 89 -0.670 -19.155 -6.669 1.00 0.00 C ATOM 1416 O GLU A 89 -0.664 -20.235 -7.225 1.00 0.00 O ATOM 1417 CB GLU A 89 -2.847 -19.183 -5.436 1.00 0.00 C ATOM 1418 CG GLU A 89 -3.282 -20.322 -4.511 1.00 0.00 C ATOM 1419 CD GLU A 89 -2.904 -21.663 -5.141 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -3.433 -21.970 -6.196 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -2.092 -22.362 -4.557 1.00 0.00 O ATOM 0 H GLU A 89 -1.838 -16.930 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.931 -19.699 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.379 -18.267 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.102 -19.420 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.803 -20.217 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.358 -20.277 -4.343 1.00 0.00 H new ATOM 1428 N HIS A 90 -0.104 -18.109 -7.210 1.00 0.00 N ATOM 1429 CA HIS A 90 0.572 -18.219 -8.534 1.00 0.00 C ATOM 1430 C HIS A 90 -0.466 -18.215 -9.659 1.00 0.00 C ATOM 1431 O HIS A 90 -0.125 -18.211 -10.826 1.00 0.00 O ATOM 1432 CB HIS A 90 1.383 -19.516 -8.591 1.00 0.00 C ATOM 1433 CG HIS A 90 2.555 -19.328 -9.514 1.00 0.00 C ATOM 1434 ND1 HIS A 90 2.909 -20.272 -10.465 1.00 0.00 N ATOM 1435 CD2 HIS A 90 3.461 -18.306 -9.645 1.00 0.00 C ATOM 1436 CE1 HIS A 90 3.985 -19.802 -11.122 1.00 0.00 C ATOM 1437 NE2 HIS A 90 4.363 -18.607 -10.661 1.00 0.00 N ATOM 0 H HIS A 90 -0.081 -17.180 -6.790 1.00 0.00 H new ATOM 0 HA HIS A 90 1.238 -17.366 -8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.730 -19.786 -7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.756 -20.335 -8.943 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.472 -17.405 -9.050 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.482 -20.327 -11.924 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.145 -18.037 -10.984 1.00 0.00 H new ATOM 1445 N GLU A 91 -1.728 -18.211 -9.327 1.00 0.00 N ATOM 1446 CA GLU A 91 -2.770 -18.201 -10.394 1.00 0.00 C ATOM 1447 C GLU A 91 -3.296 -16.775 -10.577 1.00 0.00 C ATOM 1448 O GLU A 91 -3.655 -16.435 -11.693 1.00 0.00 O ATOM 1449 CB GLU A 91 -3.926 -19.123 -9.999 1.00 0.00 C ATOM 1450 CG GLU A 91 -4.979 -19.116 -11.110 1.00 0.00 C ATOM 1451 CD GLU A 91 -5.923 -20.306 -10.930 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -6.007 -20.809 -9.821 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -6.548 -20.693 -11.903 1.00 0.00 O ATOM 1454 OXT GLU A 91 -3.330 -16.047 -9.598 1.00 0.00 O ATOM 0 H GLU A 91 -2.082 -18.214 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.332 -18.554 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.559 -20.136 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.368 -18.789 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.544 -18.184 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.494 -19.168 -12.085 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -9.286 -2.856 -15.548 1.00 0.00 N ATOM 1463 CA MET B 0 -9.933 -1.591 -15.996 1.00 0.00 C ATOM 1464 C MET B 0 -10.205 -0.702 -14.781 1.00 0.00 C ATOM 1465 O MET B 0 -11.231 -0.057 -14.689 1.00 0.00 O ATOM 1466 CB MET B 0 -11.253 -1.913 -16.698 1.00 0.00 C ATOM 1467 CG MET B 0 -12.118 -2.779 -15.781 1.00 0.00 C ATOM 1468 SD MET B 0 -13.866 -2.424 -16.090 1.00 0.00 S ATOM 1469 CE MET B 0 -14.363 -4.106 -16.531 1.00 0.00 C ATOM 0 H1 MET B 0 -9.404 -3.585 -16.281 1.00 0.00 H new ATOM 0 H2 MET B 0 -8.272 -2.689 -15.386 1.00 0.00 H new ATOM 0 H3 MET B 0 -9.729 -3.179 -14.664 1.00 0.00 H new ATOM 0 HA MET B 0 -9.272 -1.070 -16.689 1.00 0.00 H new ATOM 0 HB2 MET B 0 -11.779 -0.992 -16.948 1.00 0.00 H new ATOM 0 HB3 MET B 0 -11.061 -2.435 -17.635 1.00 0.00 H new ATOM 0 HG2 MET B 0 -11.913 -3.834 -15.960 1.00 0.00 H new ATOM 0 HG3 MET B 0 -11.874 -2.579 -14.738 1.00 0.00 H new ATOM 0 HE1 MET B 0 -15.427 -4.121 -16.765 1.00 0.00 H new ATOM 0 HE2 MET B 0 -13.795 -4.437 -17.401 1.00 0.00 H new ATOM 0 HE3 MET B 0 -14.166 -4.775 -15.693 1.00 0.00 H new ATOM 1481 N SER B 1 -9.296 -0.664 -13.846 1.00 0.00 N ATOM 1482 CA SER B 1 -9.504 0.181 -12.639 1.00 0.00 C ATOM 1483 C SER B 1 -8.171 0.797 -12.212 1.00 0.00 C ATOM 1484 O SER B 1 -7.115 0.251 -12.465 1.00 0.00 O ATOM 1485 CB SER B 1 -10.056 -0.682 -11.501 1.00 0.00 C ATOM 1486 OG SER B 1 -9.692 -0.107 -10.253 1.00 0.00 O ATOM 0 H SER B 1 -8.418 -1.182 -13.867 1.00 0.00 H new ATOM 0 HA SER B 1 -10.214 0.976 -12.869 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.141 -0.754 -11.578 1.00 0.00 H new ATOM 0 HB3 SER B 1 -9.663 -1.696 -11.575 1.00 0.00 H new ATOM 0 HG SER B 1 -10.046 -0.657 -9.524 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.209 1.932 -11.568 1.00 0.00 N ATOM 1493 CA GLU B 2 -6.942 2.580 -11.126 1.00 0.00 C ATOM 1494 C GLU B 2 -6.367 1.817 -9.932 1.00 0.00 C ATOM 1495 O GLU B 2 -5.179 1.579 -9.848 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.226 4.026 -10.706 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.998 4.744 -11.812 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.085 4.959 -13.020 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -5.917 5.240 -12.811 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.568 4.836 -14.133 1.00 0.00 O ATOM 0 H GLU B 2 -9.062 2.438 -11.329 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.227 2.569 -11.948 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -7.802 4.039 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.290 4.547 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.869 4.156 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.368 5.703 -11.448 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.202 1.439 -9.004 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.710 0.699 -7.808 1.00 0.00 C ATOM 1509 C LEU B 3 -6.167 -0.665 -8.222 1.00 0.00 C ATOM 1510 O LEU B 3 -5.189 -1.141 -7.691 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.865 0.492 -6.832 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.323 0.447 -5.404 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -7.163 1.875 -4.877 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.298 -0.334 -4.513 1.00 0.00 C ATOM 0 H LEU B 3 -8.207 1.611 -9.023 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.916 1.278 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.589 1.300 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.389 -0.436 -7.063 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.353 -0.050 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.776 1.846 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.467 2.422 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -8.131 2.376 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.913 -0.367 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.270 0.159 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.405 -1.350 -4.894 1.00 0.00 H new ATOM 1526 N GLU B 4 -6.805 -1.311 -9.144 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.323 -2.655 -9.559 1.00 0.00 C ATOM 1528 C GLU B 4 -4.957 -2.542 -10.244 1.00 0.00 C ATOM 1529 O GLU B 4 -4.000 -3.167 -9.841 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.332 -3.284 -10.522 1.00 0.00 C ATOM 1531 CG GLU B 4 -6.712 -4.518 -11.182 1.00 0.00 C ATOM 1532 CD GLU B 4 -6.603 -4.287 -12.692 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -7.435 -3.571 -13.224 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -5.688 -4.831 -13.290 1.00 0.00 O ATOM 0 H GLU B 4 -7.636 -0.973 -9.629 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.221 -3.284 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.238 -3.563 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -7.624 -2.560 -11.283 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -5.726 -4.712 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.324 -5.398 -10.981 1.00 0.00 H new ATOM 1541 N LYS B 5 -4.852 -1.761 -11.276 1.00 0.00 N ATOM 1542 CA LYS B 5 -3.539 -1.644 -11.964 1.00 0.00 C ATOM 1543 C LYS B 5 -2.502 -1.071 -11.000 1.00 0.00 C ATOM 1544 O LYS B 5 -1.324 -1.341 -11.114 1.00 0.00 O ATOM 1545 CB LYS B 5 -3.673 -0.725 -13.183 1.00 0.00 C ATOM 1546 CG LYS B 5 -4.092 0.675 -12.729 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.598 1.470 -13.936 1.00 0.00 C ATOM 1548 CE LYS B 5 -3.577 2.546 -14.307 1.00 0.00 C ATOM 1549 NZ LYS B 5 -4.173 3.470 -15.313 1.00 0.00 N ATOM 0 H LYS B 5 -5.609 -1.203 -11.672 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.218 -2.632 -12.293 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -2.725 -0.676 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.411 -1.129 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.873 0.605 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.247 1.188 -12.269 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.761 0.802 -14.782 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.558 1.930 -13.704 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.279 3.102 -13.418 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.676 2.084 -14.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.479 4.202 -15.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.436 2.934 -16.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.020 3.920 -14.912 1.00 0.00 H new ATOM 1563 N ALA B 6 -2.923 -0.278 -10.055 1.00 0.00 N ATOM 1564 CA ALA B 6 -1.949 0.310 -9.094 1.00 0.00 C ATOM 1565 C ALA B 6 -1.613 -0.699 -7.993 1.00 0.00 C ATOM 1566 O ALA B 6 -0.538 -1.265 -7.953 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.550 1.570 -8.462 1.00 0.00 C ATOM 0 H ALA B 6 -3.896 -0.012 -9.907 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.036 0.566 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.837 2.000 -7.759 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.774 2.297 -9.242 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.468 1.310 -7.935 1.00 0.00 H new ATOM 1573 N MET B 7 -2.528 -0.914 -7.096 1.00 0.00 N ATOM 1574 CA MET B 7 -2.293 -1.866 -5.979 1.00 0.00 C ATOM 1575 C MET B 7 -1.764 -3.190 -6.531 1.00 0.00 C ATOM 1576 O MET B 7 -0.734 -3.688 -6.114 1.00 0.00 O ATOM 1577 CB MET B 7 -3.626 -2.090 -5.249 1.00 0.00 C ATOM 1578 CG MET B 7 -3.625 -3.444 -4.528 1.00 0.00 C ATOM 1579 SD MET B 7 -2.129 -3.591 -3.523 1.00 0.00 S ATOM 1580 CE MET B 7 -2.476 -2.203 -2.416 1.00 0.00 C ATOM 0 H MET B 7 -3.443 -0.464 -7.088 1.00 0.00 H new ATOM 0 HA MET B 7 -1.554 -1.463 -5.286 1.00 0.00 H new ATOM 0 HB2 MET B 7 -3.792 -1.289 -4.529 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.449 -2.053 -5.963 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.510 -3.533 -3.897 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.669 -4.255 -5.255 1.00 0.00 H new ATOM 0 HE1 MET B 7 -1.552 -1.663 -2.208 1.00 0.00 H new ATOM 0 HE2 MET B 7 -3.191 -1.530 -2.889 1.00 0.00 H new ATOM 0 HE3 MET B 7 -2.895 -2.578 -1.482 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.469 -3.771 -7.455 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.019 -5.072 -8.017 1.00 0.00 C ATOM 1592 C VAL B 8 -0.662 -4.907 -8.714 1.00 0.00 C ATOM 1593 O VAL B 8 0.127 -5.828 -8.759 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.055 -5.590 -9.011 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.765 -7.055 -9.325 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.455 -5.487 -8.403 1.00 0.00 C ATOM 0 H VAL B 8 -3.336 -3.403 -7.846 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.911 -5.790 -7.204 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.005 -4.993 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.503 -7.428 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.768 -7.144 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.816 -7.641 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.190 -5.858 -9.117 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.501 -6.084 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.673 -4.446 -8.166 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.371 -3.749 -9.254 1.00 0.00 N ATOM 1607 CA ALA B 9 0.949 -3.575 -9.928 1.00 0.00 C ATOM 1608 C ALA B 9 2.058 -3.703 -8.885 1.00 0.00 C ATOM 1609 O ALA B 9 3.104 -4.263 -9.143 1.00 0.00 O ATOM 1610 CB ALA B 9 1.029 -2.199 -10.590 1.00 0.00 C ATOM 0 H ALA B 9 -0.980 -2.931 -9.257 1.00 0.00 H new ATOM 0 HA ALA B 9 1.065 -4.340 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.997 -2.086 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.236 -2.105 -11.332 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.911 -1.424 -9.833 1.00 0.00 H new ATOM 1616 N LEU B 10 1.832 -3.201 -7.702 1.00 0.00 N ATOM 1617 CA LEU B 10 2.871 -3.312 -6.643 1.00 0.00 C ATOM 1618 C LEU B 10 3.226 -4.785 -6.465 1.00 0.00 C ATOM 1619 O LEU B 10 4.380 -5.163 -6.496 1.00 0.00 O ATOM 1620 CB LEU B 10 2.328 -2.748 -5.329 1.00 0.00 C ATOM 1621 CG LEU B 10 3.058 -1.447 -4.999 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.083 -0.462 -4.353 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.205 -1.741 -4.030 1.00 0.00 C ATOM 0 H LEU B 10 0.976 -2.721 -7.425 1.00 0.00 H new ATOM 0 HA LEU B 10 3.759 -2.747 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.257 -2.566 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.467 -3.471 -4.525 1.00 0.00 H new ATOM 0 HG LEU B 10 3.457 -1.011 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.605 0.466 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.266 -0.254 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.682 -0.895 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.728 -0.814 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.805 -2.177 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.901 -2.442 -4.492 1.00 0.00 H new ATOM 1635 N ILE B 11 2.242 -5.627 -6.298 1.00 0.00 N ATOM 1636 CA ILE B 11 2.542 -7.075 -6.144 1.00 0.00 C ATOM 1637 C ILE B 11 3.495 -7.487 -7.265 1.00 0.00 C ATOM 1638 O ILE B 11 4.363 -8.318 -7.090 1.00 0.00 O ATOM 1639 CB ILE B 11 1.249 -7.884 -6.249 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.377 -7.618 -5.018 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.585 -9.374 -6.323 1.00 0.00 C ATOM 1642 CD1 ILE B 11 1.109 -8.096 -3.762 1.00 0.00 C ATOM 0 H ILE B 11 1.254 -5.376 -6.262 1.00 0.00 H new ATOM 0 HA ILE B 11 2.997 -7.263 -5.171 1.00 0.00 H new ATOM 0 HB ILE B 11 0.708 -7.588 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.155 -6.554 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.577 -8.137 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.664 -9.951 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE B 11 2.205 -9.564 -7.199 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.127 -9.670 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.489 -7.907 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.309 -9.165 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE B 11 2.051 -7.557 -3.663 1.00 0.00 H new ATOM 1654 N ASP B 12 3.340 -6.891 -8.418 1.00 0.00 N ATOM 1655 CA ASP B 12 4.235 -7.219 -9.561 1.00 0.00 C ATOM 1656 C ASP B 12 5.681 -6.957 -9.148 1.00 0.00 C ATOM 1657 O ASP B 12 6.534 -7.817 -9.251 1.00 0.00 O ATOM 1658 CB ASP B 12 3.874 -6.328 -10.753 1.00 0.00 C ATOM 1659 CG ASP B 12 4.501 -6.896 -12.029 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.410 -7.700 -11.912 1.00 0.00 O ATOM 1661 OD2 ASP B 12 4.061 -6.514 -13.101 1.00 0.00 O ATOM 0 H ASP B 12 2.628 -6.188 -8.616 1.00 0.00 H new ATOM 0 HA ASP B 12 4.117 -8.266 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.791 -6.271 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.231 -5.312 -10.582 1.00 0.00 H new ATOM 1666 N VAL B 13 5.962 -5.775 -8.672 1.00 0.00 N ATOM 1667 CA VAL B 13 7.353 -5.461 -8.244 1.00 0.00 C ATOM 1668 C VAL B 13 7.865 -6.592 -7.349 1.00 0.00 C ATOM 1669 O VAL B 13 9.042 -6.884 -7.315 1.00 0.00 O ATOM 1670 CB VAL B 13 7.374 -4.147 -7.457 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.807 -3.847 -7.017 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.877 -3.004 -8.342 1.00 0.00 C ATOM 0 H VAL B 13 5.290 -5.016 -8.561 1.00 0.00 H new ATOM 0 HA VAL B 13 7.989 -5.361 -9.124 1.00 0.00 H new ATOM 0 HB VAL B 13 6.726 -4.240 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.827 -2.912 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL B 13 9.171 -4.657 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.446 -3.757 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.894 -2.072 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.524 -2.911 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.858 -3.212 -8.667 1.00 0.00 H new ATOM 1682 N PHE B 14 6.989 -7.228 -6.620 1.00 0.00 N ATOM 1683 CA PHE B 14 7.426 -8.339 -5.727 1.00 0.00 C ATOM 1684 C PHE B 14 8.049 -9.453 -6.570 1.00 0.00 C ATOM 1685 O PHE B 14 9.113 -9.956 -6.264 1.00 0.00 O ATOM 1686 CB PHE B 14 6.218 -8.889 -4.966 1.00 0.00 C ATOM 1687 CG PHE B 14 6.606 -9.144 -3.529 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.252 -8.144 -2.793 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.319 -10.377 -2.932 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.614 -8.378 -1.461 1.00 0.00 C ATOM 1691 CE2 PHE B 14 6.681 -10.612 -1.599 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.327 -9.612 -0.863 1.00 0.00 C ATOM 0 H PHE B 14 5.989 -7.026 -6.604 1.00 0.00 H new ATOM 0 HA PHE B 14 8.162 -7.966 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.392 -8.179 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.871 -9.812 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.471 -7.192 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.818 -11.148 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.115 -7.607 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.462 -11.564 -1.140 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.604 -9.792 0.165 1.00 0.00 H new ATOM 1702 N HIS B 15 7.396 -9.845 -7.629 1.00 0.00 N ATOM 1703 CA HIS B 15 7.952 -10.926 -8.490 1.00 0.00 C ATOM 1704 C HIS B 15 9.256 -10.449 -9.133 1.00 0.00 C ATOM 1705 O HIS B 15 9.987 -11.219 -9.722 1.00 0.00 O ATOM 1706 CB HIS B 15 6.944 -11.271 -9.588 1.00 0.00 C ATOM 1707 CG HIS B 15 6.170 -12.498 -9.192 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.735 -13.764 -9.204 1.00 0.00 N ATOM 1709 CD2 HIS B 15 4.874 -12.669 -8.773 1.00 0.00 C ATOM 1710 CE1 HIS B 15 5.789 -14.634 -8.803 1.00 0.00 C ATOM 1711 NE2 HIS B 15 4.636 -14.019 -8.528 1.00 0.00 N ATOM 0 H HIS B 15 6.501 -9.463 -7.935 1.00 0.00 H new ATOM 0 HA HIS B 15 8.148 -11.809 -7.881 1.00 0.00 H new ATOM 0 HB2 HIS B 15 6.263 -10.435 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS B 15 7.463 -11.444 -10.531 1.00 0.00 H new ATOM 0 HD2 HIS B 15 4.149 -11.877 -8.652 1.00 0.00 H new ATOM 0 HE1 HIS B 15 5.944 -15.699 -8.715 1.00 0.00 H new ATOM 0 HE2 HIS B 15 3.767 -14.446 -8.207 1.00 0.00 H new ATOM 1719 N GLN B 16 9.550 -9.183 -9.026 1.00 0.00 N ATOM 1720 CA GLN B 16 10.804 -8.655 -9.634 1.00 0.00 C ATOM 1721 C GLN B 16 11.922 -8.650 -8.587 1.00 0.00 C ATOM 1722 O GLN B 16 12.849 -9.432 -8.650 1.00 0.00 O ATOM 1723 CB GLN B 16 10.564 -7.227 -10.129 1.00 0.00 C ATOM 1724 CG GLN B 16 11.114 -7.078 -11.550 1.00 0.00 C ATOM 1725 CD GLN B 16 10.389 -8.047 -12.484 1.00 0.00 C ATOM 1726 OE1 GLN B 16 10.938 -9.058 -12.875 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.168 -7.780 -12.861 1.00 0.00 N ATOM 0 H GLN B 16 8.976 -8.491 -8.544 1.00 0.00 H new ATOM 0 HA GLN B 16 11.096 -9.289 -10.471 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.498 -7.001 -10.115 1.00 0.00 H new ATOM 0 HB3 GLN B 16 11.050 -6.514 -9.463 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.980 -6.053 -11.897 1.00 0.00 H new ATOM 0 HG3 GLN B 16 12.185 -7.280 -11.559 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.707 -6.931 -12.533 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.675 -8.420 -13.484 1.00 0.00 H new ATOM 1736 N TYR B 17 11.841 -7.771 -7.627 1.00 0.00 N ATOM 1737 CA TYR B 17 12.895 -7.707 -6.577 1.00 0.00 C ATOM 1738 C TYR B 17 12.842 -8.968 -5.709 1.00 0.00 C ATOM 1739 O TYR B 17 13.838 -9.633 -5.504 1.00 0.00 O ATOM 1740 CB TYR B 17 12.660 -6.476 -5.698 1.00 0.00 C ATOM 1741 CG TYR B 17 12.954 -5.223 -6.490 1.00 0.00 C ATOM 1742 CD1 TYR B 17 12.025 -4.749 -7.424 1.00 0.00 C ATOM 1743 CD2 TYR B 17 14.157 -4.535 -6.288 1.00 0.00 C ATOM 1744 CE1 TYR B 17 12.298 -3.587 -8.158 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.430 -3.374 -7.022 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.500 -2.900 -7.956 1.00 0.00 C ATOM 1747 OH TYR B 17 13.770 -1.754 -8.678 1.00 0.00 O ATOM 0 H TYR B 17 11.087 -7.092 -7.524 1.00 0.00 H new ATOM 0 HA TYR B 17 13.873 -7.639 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.629 -6.461 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.299 -6.519 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR B 17 11.097 -5.279 -7.579 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.874 -4.899 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.581 -3.222 -8.879 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.358 -2.844 -6.868 1.00 0.00 H new ATOM 0 HH TYR B 17 14.646 -1.401 -8.415 1.00 0.00 H new ATOM 1757 N SER B 18 11.689 -9.299 -5.193 1.00 0.00 N ATOM 1758 CA SER B 18 11.578 -10.515 -4.334 1.00 0.00 C ATOM 1759 C SER B 18 11.396 -11.755 -5.211 1.00 0.00 C ATOM 1760 O SER B 18 11.345 -12.866 -4.723 1.00 0.00 O ATOM 1761 CB SER B 18 10.373 -10.373 -3.403 1.00 0.00 C ATOM 1762 OG SER B 18 10.033 -11.650 -2.878 1.00 0.00 O ATOM 0 H SER B 18 10.820 -8.782 -5.328 1.00 0.00 H new ATOM 0 HA SER B 18 12.488 -10.621 -3.744 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.605 -9.683 -2.592 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.526 -9.953 -3.946 1.00 0.00 H new ATOM 0 HG SER B 18 10.710 -12.305 -3.148 1.00 0.00 H new ATOM 1768 N GLY B 19 11.297 -11.575 -6.500 1.00 0.00 N ATOM 1769 CA GLY B 19 11.114 -12.746 -7.399 1.00 0.00 C ATOM 1770 C GLY B 19 12.395 -12.987 -8.199 1.00 0.00 C ATOM 1771 O GLY B 19 12.355 -13.315 -9.368 1.00 0.00 O ATOM 0 H GLY B 19 11.335 -10.669 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY B 19 10.868 -13.632 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY B 19 10.279 -12.570 -8.076 1.00 0.00 H new ATOM 1775 N ARG B 20 13.532 -12.828 -7.581 1.00 0.00 N ATOM 1776 CA ARG B 20 14.813 -13.047 -8.311 1.00 0.00 C ATOM 1777 C ARG B 20 15.749 -13.919 -7.467 1.00 0.00 C ATOM 1778 O ARG B 20 16.858 -14.217 -7.865 1.00 0.00 O ATOM 1779 CB ARG B 20 15.478 -11.696 -8.578 1.00 0.00 C ATOM 1780 CG ARG B 20 15.464 -10.861 -7.297 1.00 0.00 C ATOM 1781 CD ARG B 20 16.847 -10.251 -7.069 1.00 0.00 C ATOM 1782 NE ARG B 20 16.816 -8.806 -7.436 1.00 0.00 N ATOM 1783 CZ ARG B 20 17.800 -8.025 -7.087 1.00 0.00 C ATOM 1784 NH1 ARG B 20 19.016 -8.494 -7.024 1.00 0.00 N ATOM 1785 NH2 ARG B 20 17.567 -6.773 -6.799 1.00 0.00 N ATOM 0 H ARG B 20 13.630 -12.556 -6.603 1.00 0.00 H new ATOM 0 HA ARG B 20 14.610 -13.551 -9.256 1.00 0.00 H new ATOM 0 HB2 ARG B 20 16.503 -11.844 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG B 20 14.951 -11.170 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG B 20 14.715 -10.072 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG B 20 15.185 -11.484 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG B 20 17.140 -10.367 -6.026 1.00 0.00 H new ATOM 0 HD3 ARG B 20 17.591 -10.774 -7.669 1.00 0.00 H new ATOM 0 HE ARG B 20 16.026 -8.429 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG B 20 19.197 -9.472 -7.248 1.00 0.00 H new ATOM 0 HH12 ARG B 20 19.785 -7.882 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG B 20 16.616 -6.407 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG B 20 18.336 -6.161 -6.526 1.00 0.00 H new ATOM 1799 N GLU B 21 15.319 -14.326 -6.304 1.00 0.00 N ATOM 1800 CA GLU B 21 16.189 -15.168 -5.443 1.00 0.00 C ATOM 1801 C GLU B 21 15.379 -15.710 -4.265 1.00 0.00 C ATOM 1802 O GLU B 21 15.308 -16.902 -4.042 1.00 0.00 O ATOM 1803 CB GLU B 21 17.339 -14.319 -4.916 1.00 0.00 C ATOM 1804 CG GLU B 21 18.653 -15.036 -5.201 1.00 0.00 C ATOM 1805 CD GLU B 21 19.824 -14.100 -4.903 1.00 0.00 C ATOM 1806 OE1 GLU B 21 19.974 -13.719 -3.753 1.00 0.00 O ATOM 1807 OE2 GLU B 21 20.553 -13.782 -5.828 1.00 0.00 O ATOM 0 H GLU B 21 14.401 -14.110 -5.915 1.00 0.00 H new ATOM 0 HA GLU B 21 16.580 -16.002 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU B 21 17.333 -13.339 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU B 21 17.225 -14.153 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU B 21 18.728 -15.935 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.686 -15.356 -6.243 1.00 0.00 H new ATOM 1814 N GLY B 22 14.774 -14.839 -3.508 1.00 0.00 N ATOM 1815 CA GLY B 22 13.970 -15.293 -2.338 1.00 0.00 C ATOM 1816 C GLY B 22 12.908 -16.293 -2.800 1.00 0.00 C ATOM 1817 O GLY B 22 12.993 -16.852 -3.875 1.00 0.00 O ATOM 0 H GLY B 22 14.801 -13.829 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY B 22 14.620 -15.755 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY B 22 13.494 -14.438 -1.858 1.00 0.00 H new ATOM 1821 N ASP B 23 11.906 -16.522 -1.995 1.00 0.00 N ATOM 1822 CA ASP B 23 10.842 -17.488 -2.387 1.00 0.00 C ATOM 1823 C ASP B 23 9.760 -16.765 -3.195 1.00 0.00 C ATOM 1824 O ASP B 23 8.625 -17.195 -3.247 1.00 0.00 O ATOM 1825 CB ASP B 23 10.220 -18.099 -1.130 1.00 0.00 C ATOM 1826 CG ASP B 23 10.581 -19.584 -1.052 1.00 0.00 C ATOM 1827 OD1 ASP B 23 9.998 -20.355 -1.795 1.00 0.00 O ATOM 1828 OD2 ASP B 23 11.436 -19.924 -0.250 1.00 0.00 O ATOM 0 H ASP B 23 11.779 -16.082 -1.084 1.00 0.00 H new ATOM 0 HA ASP B 23 11.279 -18.278 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP B 23 10.581 -17.579 -0.243 1.00 0.00 H new ATOM 0 HB3 ASP B 23 9.137 -17.978 -1.151 1.00 0.00 H new ATOM 1833 N LYS B 24 10.099 -15.674 -3.828 1.00 0.00 N ATOM 1834 CA LYS B 24 9.085 -14.935 -4.632 1.00 0.00 C ATOM 1835 C LYS B 24 7.947 -14.474 -3.719 1.00 0.00 C ATOM 1836 O LYS B 24 6.864 -14.158 -4.171 1.00 0.00 O ATOM 1837 CB LYS B 24 8.529 -15.859 -5.717 1.00 0.00 C ATOM 1838 CG LYS B 24 9.627 -16.820 -6.185 1.00 0.00 C ATOM 1839 CD LYS B 24 9.212 -17.467 -7.508 1.00 0.00 C ATOM 1840 CE LYS B 24 9.754 -18.897 -7.568 1.00 0.00 C ATOM 1841 NZ LYS B 24 11.229 -18.863 -7.784 1.00 0.00 N ATOM 0 H LYS B 24 11.033 -15.264 -3.823 1.00 0.00 H new ATOM 0 HA LYS B 24 9.550 -14.065 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS B 24 7.680 -16.422 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS B 24 8.164 -15.270 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.566 -16.282 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.798 -17.588 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS B 24 8.126 -17.474 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.596 -16.885 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.524 -19.423 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS B 24 9.270 -19.447 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 11.596 -19.835 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 11.438 -18.376 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 11.683 -18.354 -6.999 1.00 0.00 H new ATOM 1855 N HIS B 25 8.183 -14.434 -2.436 1.00 0.00 N ATOM 1856 CA HIS B 25 7.115 -13.993 -1.493 1.00 0.00 C ATOM 1857 C HIS B 25 7.753 -13.407 -0.232 1.00 0.00 C ATOM 1858 O HIS B 25 7.123 -13.296 0.801 1.00 0.00 O ATOM 1859 CB HIS B 25 6.248 -15.193 -1.111 1.00 0.00 C ATOM 1860 CG HIS B 25 5.351 -15.549 -2.264 1.00 0.00 C ATOM 1861 ND1 HIS B 25 5.447 -16.765 -2.923 1.00 0.00 N ATOM 1862 CD2 HIS B 25 4.337 -14.864 -2.885 1.00 0.00 C ATOM 1863 CE1 HIS B 25 4.512 -16.775 -3.890 1.00 0.00 C ATOM 1864 NE2 HIS B 25 3.807 -15.640 -3.910 1.00 0.00 N ATOM 0 H HIS B 25 9.069 -14.688 -2.000 1.00 0.00 H new ATOM 0 HA HIS B 25 6.499 -13.234 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.879 -16.043 -0.851 1.00 0.00 H new ATOM 0 HB3 HIS B 25 5.650 -14.958 -0.230 1.00 0.00 H new ATOM 0 HD1 HIS B 25 6.106 -17.515 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS B 25 4.002 -13.873 -2.618 1.00 0.00 H new ATOM 0 HE1 HIS B 25 4.351 -17.600 -4.568 1.00 0.00 H new ATOM 1872 N LYS B 26 9.000 -13.032 -0.309 1.00 0.00 N ATOM 1873 CA LYS B 26 9.679 -12.454 0.882 1.00 0.00 C ATOM 1874 C LYS B 26 10.748 -11.465 0.420 1.00 0.00 C ATOM 1875 O LYS B 26 11.569 -11.770 -0.424 1.00 0.00 O ATOM 1876 CB LYS B 26 10.332 -13.575 1.692 1.00 0.00 C ATOM 1877 CG LYS B 26 9.247 -14.516 2.219 1.00 0.00 C ATOM 1878 CD LYS B 26 9.872 -15.555 3.154 1.00 0.00 C ATOM 1879 CE LYS B 26 8.808 -16.579 3.554 1.00 0.00 C ATOM 1880 NZ LYS B 26 9.378 -17.528 4.551 1.00 0.00 N ATOM 0 H LYS B 26 9.578 -13.101 -1.147 1.00 0.00 H new ATOM 0 HA LYS B 26 8.949 -11.938 1.506 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.037 -14.126 1.069 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.901 -13.156 2.522 1.00 0.00 H new ATOM 0 HG2 LYS B 26 8.485 -13.946 2.751 1.00 0.00 H new ATOM 0 HG3 LYS B 26 8.749 -15.014 1.387 1.00 0.00 H new ATOM 0 HD2 LYS B 26 10.705 -16.053 2.658 1.00 0.00 H new ATOM 0 HD3 LYS B 26 10.275 -15.067 4.041 1.00 0.00 H new ATOM 0 HE2 LYS B 26 7.940 -16.071 3.975 1.00 0.00 H new ATOM 0 HE3 LYS B 26 8.464 -17.123 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 8.654 -18.223 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 10.193 -18.022 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 9.686 -17.002 5.394 1.00 0.00 H new ATOM 1894 N LEU B 27 10.744 -10.280 0.963 1.00 0.00 N ATOM 1895 CA LEU B 27 11.756 -9.270 0.552 1.00 0.00 C ATOM 1896 C LEU B 27 12.812 -9.134 1.651 1.00 0.00 C ATOM 1897 O LEU B 27 13.007 -10.026 2.453 1.00 0.00 O ATOM 1898 CB LEU B 27 11.066 -7.922 0.335 1.00 0.00 C ATOM 1899 CG LEU B 27 11.340 -7.427 -1.085 1.00 0.00 C ATOM 1900 CD1 LEU B 27 10.204 -6.507 -1.535 1.00 0.00 C ATOM 1901 CD2 LEU B 27 12.660 -6.656 -1.110 1.00 0.00 C ATOM 0 H LEU B 27 10.083 -9.968 1.674 1.00 0.00 H new ATOM 0 HA LEU B 27 12.235 -9.586 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.992 -8.022 0.495 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.430 -7.195 1.061 1.00 0.00 H new ATOM 0 HG LEU B 27 11.404 -8.280 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.401 -6.155 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU B 27 9.263 -7.056 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.138 -5.653 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.856 -6.303 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.596 -5.803 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.470 -7.312 -0.791 1.00 0.00 H new ATOM 1913 N LYS B 28 13.490 -8.022 1.692 1.00 0.00 N ATOM 1914 CA LYS B 28 14.530 -7.820 2.737 1.00 0.00 C ATOM 1915 C LYS B 28 14.546 -6.345 3.140 1.00 0.00 C ATOM 1916 O LYS B 28 13.916 -5.516 2.515 1.00 0.00 O ATOM 1917 CB LYS B 28 15.900 -8.212 2.177 1.00 0.00 C ATOM 1918 CG LYS B 28 16.284 -9.600 2.697 1.00 0.00 C ATOM 1919 CD LYS B 28 17.794 -9.660 2.931 1.00 0.00 C ATOM 1920 CE LYS B 28 18.478 -10.270 1.705 1.00 0.00 C ATOM 1921 NZ LYS B 28 19.043 -11.602 2.063 1.00 0.00 N ATOM 0 H LYS B 28 13.368 -7.243 1.045 1.00 0.00 H new ATOM 0 HA LYS B 28 14.307 -8.439 3.606 1.00 0.00 H new ATOM 0 HB2 LYS B 28 15.872 -8.215 1.087 1.00 0.00 H new ATOM 0 HB3 LYS B 28 16.650 -7.480 2.475 1.00 0.00 H new ATOM 0 HG2 LYS B 28 15.753 -9.811 3.625 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.986 -10.364 1.979 1.00 0.00 H new ATOM 0 HD2 LYS B 28 18.184 -8.659 3.117 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.012 -10.257 3.817 1.00 0.00 H new ATOM 0 HE2 LYS B 28 17.762 -10.374 0.890 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.270 -9.610 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 19.508 -12.017 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 19.739 -11.490 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 18.277 -12.230 2.381 1.00 0.00 H new ATOM 1935 N LYS B 29 15.260 -6.009 4.176 1.00 0.00 N ATOM 1936 CA LYS B 29 15.311 -4.585 4.607 1.00 0.00 C ATOM 1937 C LYS B 29 16.281 -3.823 3.703 1.00 0.00 C ATOM 1938 O LYS B 29 16.143 -2.635 3.486 1.00 0.00 O ATOM 1939 CB LYS B 29 15.790 -4.512 6.056 1.00 0.00 C ATOM 1940 CG LYS B 29 14.966 -5.476 6.911 1.00 0.00 C ATOM 1941 CD LYS B 29 15.559 -5.542 8.317 1.00 0.00 C ATOM 1942 CE LYS B 29 14.603 -4.874 9.308 1.00 0.00 C ATOM 1943 NZ LYS B 29 14.356 -3.465 8.890 1.00 0.00 N ATOM 0 H LYS B 29 15.809 -6.656 4.742 1.00 0.00 H new ATOM 0 HA LYS B 29 14.319 -4.139 4.533 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.848 -4.769 6.115 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.688 -3.495 6.434 1.00 0.00 H new ATOM 0 HG2 LYS B 29 13.929 -5.143 6.957 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.962 -6.468 6.459 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.729 -6.580 8.603 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.528 -5.043 8.338 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.662 -5.423 9.348 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.028 -4.897 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 13.455 -3.137 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.129 -2.860 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 14.311 -3.413 7.852 1.00 0.00 H new ATOM 1957 N SER B 30 17.261 -4.500 3.172 1.00 0.00 N ATOM 1958 CA SER B 30 18.240 -3.818 2.277 1.00 0.00 C ATOM 1959 C SER B 30 17.630 -3.655 0.882 1.00 0.00 C ATOM 1960 O SER B 30 17.852 -2.668 0.209 1.00 0.00 O ATOM 1961 CB SER B 30 19.515 -4.656 2.182 1.00 0.00 C ATOM 1962 OG SER B 30 20.580 -3.840 1.713 1.00 0.00 O ATOM 0 H SER B 30 17.427 -5.496 3.318 1.00 0.00 H new ATOM 0 HA SER B 30 18.481 -2.836 2.684 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.764 -5.073 3.158 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.361 -5.497 1.506 1.00 0.00 H new ATOM 0 HG SER B 30 21.399 -4.374 1.653 1.00 0.00 H new ATOM 1968 N GLU B 31 16.849 -4.607 0.449 1.00 0.00 N ATOM 1969 CA GLU B 31 16.215 -4.494 -0.889 1.00 0.00 C ATOM 1970 C GLU B 31 14.908 -3.725 -0.723 1.00 0.00 C ATOM 1971 O GLU B 31 14.389 -3.141 -1.653 1.00 0.00 O ATOM 1972 CB GLU B 31 15.937 -5.892 -1.442 1.00 0.00 C ATOM 1973 CG GLU B 31 16.090 -5.881 -2.964 1.00 0.00 C ATOM 1974 CD GLU B 31 17.086 -6.962 -3.386 1.00 0.00 C ATOM 1975 OE1 GLU B 31 18.200 -6.941 -2.889 1.00 0.00 O ATOM 1976 OE2 GLU B 31 16.720 -7.793 -4.199 1.00 0.00 O ATOM 0 H GLU B 31 16.624 -5.457 0.966 1.00 0.00 H new ATOM 0 HA GLU B 31 16.872 -3.972 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.627 -6.612 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.930 -6.208 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU B 31 15.124 -6.057 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.436 -4.903 -3.298 1.00 0.00 H new ATOM 1983 N LEU B 32 14.391 -3.700 0.473 1.00 0.00 N ATOM 1984 CA LEU B 32 13.141 -2.943 0.723 1.00 0.00 C ATOM 1985 C LEU B 32 13.516 -1.470 0.835 1.00 0.00 C ATOM 1986 O LEU B 32 12.791 -0.598 0.406 1.00 0.00 O ATOM 1987 CB LEU B 32 12.501 -3.417 2.031 1.00 0.00 C ATOM 1988 CG LEU B 32 11.428 -2.416 2.465 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.258 -2.467 1.483 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.932 -2.781 3.865 1.00 0.00 C ATOM 0 H LEU B 32 14.783 -4.173 1.287 1.00 0.00 H new ATOM 0 HA LEU B 32 12.426 -3.099 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.059 -4.404 1.895 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.261 -3.512 2.807 1.00 0.00 H new ATOM 0 HG LEU B 32 11.850 -1.411 2.477 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.493 -1.754 1.791 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.610 -2.212 0.484 1.00 0.00 H new ATOM 0 HD13 LEU B 32 9.835 -3.472 1.473 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.167 -2.070 4.177 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.509 -3.785 3.851 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.766 -2.748 4.566 1.00 0.00 H new ATOM 2002 N LYS B 33 14.665 -1.197 1.393 1.00 0.00 N ATOM 2003 CA LYS B 33 15.123 0.213 1.522 1.00 0.00 C ATOM 2004 C LYS B 33 15.286 0.804 0.124 1.00 0.00 C ATOM 2005 O LYS B 33 14.867 1.911 -0.149 1.00 0.00 O ATOM 2006 CB LYS B 33 16.471 0.240 2.244 1.00 0.00 C ATOM 2007 CG LYS B 33 16.688 1.618 2.870 1.00 0.00 C ATOM 2008 CD LYS B 33 17.611 1.488 4.084 1.00 0.00 C ATOM 2009 CE LYS B 33 19.056 1.750 3.657 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.372 3.195 3.837 1.00 0.00 N ATOM 0 H LYS B 33 15.308 -1.895 1.766 1.00 0.00 H new ATOM 0 HA LYS B 33 14.395 0.793 2.089 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.498 -0.530 3.015 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.275 0.017 1.543 1.00 0.00 H new ATOM 0 HG2 LYS B 33 17.126 2.297 2.138 1.00 0.00 H new ATOM 0 HG3 LYS B 33 15.732 2.047 3.171 1.00 0.00 H new ATOM 0 HD2 LYS B 33 17.315 2.197 4.857 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.523 0.491 4.516 1.00 0.00 H new ATOM 0 HE2 LYS B 33 19.738 1.141 4.250 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.196 1.463 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.354 3.374 3.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.729 3.766 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.254 3.454 4.837 1.00 0.00 H new ATOM 2024 N GLU B 34 15.880 0.061 -0.767 1.00 0.00 N ATOM 2025 CA GLU B 34 16.060 0.561 -2.157 1.00 0.00 C ATOM 2026 C GLU B 34 14.685 0.641 -2.813 1.00 0.00 C ATOM 2027 O GLU B 34 14.365 1.573 -3.523 1.00 0.00 O ATOM 2028 CB GLU B 34 16.982 -0.402 -2.924 1.00 0.00 C ATOM 2029 CG GLU B 34 16.194 -1.589 -3.489 1.00 0.00 C ATOM 2030 CD GLU B 34 17.045 -2.310 -4.538 1.00 0.00 C ATOM 2031 OE1 GLU B 34 17.932 -1.680 -5.087 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.792 -3.480 -4.773 1.00 0.00 O ATOM 0 H GLU B 34 16.249 -0.873 -0.592 1.00 0.00 H new ATOM 0 HA GLU B 34 16.519 1.549 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.474 0.131 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.766 -0.765 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.926 -2.277 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.263 -1.242 -3.936 1.00 0.00 H new ATOM 2039 N LEU B 35 13.869 -0.339 -2.553 1.00 0.00 N ATOM 2040 CA LEU B 35 12.496 -0.354 -3.124 1.00 0.00 C ATOM 2041 C LEU B 35 11.831 1.001 -2.856 1.00 0.00 C ATOM 2042 O LEU B 35 11.312 1.643 -3.751 1.00 0.00 O ATOM 2043 CB LEU B 35 11.697 -1.469 -2.443 1.00 0.00 C ATOM 2044 CG LEU B 35 10.916 -2.256 -3.496 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.035 -1.297 -4.301 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.900 -2.956 -4.436 1.00 0.00 C ATOM 0 H LEU B 35 14.097 -1.139 -1.963 1.00 0.00 H new ATOM 0 HA LEU B 35 12.531 -0.532 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.370 -2.134 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.012 -1.044 -1.710 1.00 0.00 H new ATOM 0 HG LEU B 35 10.287 -2.999 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.478 -1.858 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.337 -0.795 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.662 -0.554 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.347 -3.518 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.526 -2.211 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.528 -3.638 -3.863 1.00 0.00 H new ATOM 2058 N ILE B 36 11.854 1.442 -1.627 1.00 0.00 N ATOM 2059 CA ILE B 36 11.235 2.755 -1.289 1.00 0.00 C ATOM 2060 C ILE B 36 11.992 3.867 -2.006 1.00 0.00 C ATOM 2061 O ILE B 36 11.434 4.635 -2.764 1.00 0.00 O ATOM 2062 CB ILE B 36 11.319 2.993 0.217 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.112 1.653 0.953 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.249 4.011 0.604 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.405 1.863 2.299 1.00 0.00 C ATOM 0 H ILE B 36 12.276 0.948 -0.841 1.00 0.00 H new ATOM 0 HA ILE B 36 10.191 2.750 -1.601 1.00 0.00 H new ATOM 0 HB ILE B 36 12.296 3.386 0.498 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.522 0.980 0.330 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.076 1.172 1.117 1.00 0.00 H new ATOM 0 HG21 ILE B 36 10.293 4.195 1.678 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.424 4.944 0.069 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.265 3.622 0.342 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.273 0.901 2.795 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.009 2.516 2.929 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.430 2.321 2.130 1.00 0.00 H new ATOM 2077 N ASN B 37 13.269 3.949 -1.775 1.00 0.00 N ATOM 2078 CA ASN B 37 14.090 5.001 -2.435 1.00 0.00 C ATOM 2079 C ASN B 37 14.105 4.803 -3.958 1.00 0.00 C ATOM 2080 O ASN B 37 14.751 5.540 -4.676 1.00 0.00 O ATOM 2081 CB ASN B 37 15.521 4.915 -1.910 1.00 0.00 C ATOM 2082 CG ASN B 37 16.337 6.089 -2.453 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.446 7.114 -1.812 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.916 5.982 -3.618 1.00 0.00 N ATOM 0 H ASN B 37 13.785 3.328 -1.152 1.00 0.00 H new ATOM 0 HA ASN B 37 13.657 5.976 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.521 4.932 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN B 37 15.975 3.972 -2.214 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.461 6.760 -3.990 1.00 0.00 H new ATOM 0 HD22 ASN B 37 16.824 5.120 -4.156 1.00 0.00 H new ATOM 2091 N ASN B 38 13.407 3.823 -4.463 1.00 0.00 N ATOM 2092 CA ASN B 38 13.396 3.605 -5.935 1.00 0.00 C ATOM 2093 C ASN B 38 12.297 4.469 -6.552 1.00 0.00 C ATOM 2094 O ASN B 38 12.529 5.227 -7.473 1.00 0.00 O ATOM 2095 CB ASN B 38 13.119 2.131 -6.233 1.00 0.00 C ATOM 2096 CG ASN B 38 13.428 1.841 -7.702 1.00 0.00 C ATOM 2097 OD1 ASN B 38 14.525 1.437 -8.036 1.00 0.00 O ATOM 2098 ND2 ASN B 38 12.502 2.032 -8.602 1.00 0.00 N ATOM 0 H ASN B 38 12.846 3.166 -3.921 1.00 0.00 H new ATOM 0 HA ASN B 38 14.363 3.878 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN B 38 13.730 1.498 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN B 38 12.077 1.895 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN B 38 12.699 1.842 -9.585 1.00 0.00 H new ATOM 0 HD22 ASN B 38 11.581 2.371 -8.323 1.00 0.00 H new ATOM 2105 N GLU B 39 11.103 4.369 -6.037 1.00 0.00 N ATOM 2106 CA GLU B 39 9.986 5.193 -6.579 1.00 0.00 C ATOM 2107 C GLU B 39 9.673 6.313 -5.579 1.00 0.00 C ATOM 2108 O GLU B 39 9.556 7.469 -5.935 1.00 0.00 O ATOM 2109 CB GLU B 39 8.745 4.295 -6.788 1.00 0.00 C ATOM 2110 CG GLU B 39 7.507 4.916 -6.120 1.00 0.00 C ATOM 2111 CD GLU B 39 6.309 3.990 -6.254 1.00 0.00 C ATOM 2112 OE1 GLU B 39 6.482 2.796 -6.077 1.00 0.00 O ATOM 2113 OE2 GLU B 39 5.233 4.495 -6.525 1.00 0.00 O ATOM 0 H GLU B 39 10.852 3.752 -5.264 1.00 0.00 H new ATOM 0 HA GLU B 39 10.266 5.632 -7.537 1.00 0.00 H new ATOM 0 HB2 GLU B 39 8.561 4.162 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU B 39 8.932 3.305 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU B 39 7.712 5.105 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU B 39 7.283 5.879 -6.579 1.00 0.00 H new ATOM 2120 N LEU B 40 9.510 5.959 -4.335 1.00 0.00 N ATOM 2121 CA LEU B 40 9.176 6.972 -3.302 1.00 0.00 C ATOM 2122 C LEU B 40 10.257 8.046 -3.259 1.00 0.00 C ATOM 2123 O LEU B 40 9.968 9.225 -3.199 1.00 0.00 O ATOM 2124 CB LEU B 40 9.076 6.277 -1.947 1.00 0.00 C ATOM 2125 CG LEU B 40 7.630 5.850 -1.707 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.157 4.930 -2.832 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.536 5.107 -0.380 1.00 0.00 C ATOM 0 H LEU B 40 9.595 5.003 -3.989 1.00 0.00 H new ATOM 0 HA LEU B 40 8.225 7.446 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.733 5.408 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.405 6.949 -1.155 1.00 0.00 H new ATOM 0 HG LEU B 40 6.998 6.738 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.124 4.633 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.219 5.457 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.789 4.043 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.504 4.801 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.176 4.225 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.861 5.763 0.428 1.00 0.00 H new ATOM 2139 N SER B 41 11.498 7.650 -3.289 1.00 0.00 N ATOM 2140 CA SER B 41 12.602 8.655 -3.254 1.00 0.00 C ATOM 2141 C SER B 41 12.248 9.842 -4.155 1.00 0.00 C ATOM 2142 O SER B 41 12.681 10.955 -3.932 1.00 0.00 O ATOM 2143 CB SER B 41 13.894 8.015 -3.759 1.00 0.00 C ATOM 2144 OG SER B 41 14.751 9.028 -4.268 1.00 0.00 O ATOM 0 H SER B 41 11.798 6.676 -3.336 1.00 0.00 H new ATOM 0 HA SER B 41 12.738 9.000 -2.229 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.388 7.477 -2.950 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.672 7.285 -4.538 1.00 0.00 H new ATOM 0 HG SER B 41 15.582 8.621 -4.592 1.00 0.00 H new ATOM 2150 N HIS B 42 11.463 9.614 -5.173 1.00 0.00 N ATOM 2151 CA HIS B 42 11.080 10.727 -6.089 1.00 0.00 C ATOM 2152 C HIS B 42 10.379 11.828 -5.289 1.00 0.00 C ATOM 2153 O HIS B 42 10.766 12.978 -5.329 1.00 0.00 O ATOM 2154 CB HIS B 42 10.129 10.196 -7.164 1.00 0.00 C ATOM 2155 CG HIS B 42 10.271 11.023 -8.415 1.00 0.00 C ATOM 2156 ND1 HIS B 42 10.718 12.334 -8.390 1.00 0.00 N ATOM 2157 CD2 HIS B 42 10.029 10.737 -9.737 1.00 0.00 C ATOM 2158 CE1 HIS B 42 10.732 12.785 -9.658 1.00 0.00 C ATOM 2159 NE2 HIS B 42 10.320 11.851 -10.520 1.00 0.00 N ATOM 0 H HIS B 42 11.070 8.703 -5.410 1.00 0.00 H new ATOM 0 HA HIS B 42 11.974 11.134 -6.561 1.00 0.00 H new ATOM 0 HB2 HIS B 42 10.353 9.151 -7.379 1.00 0.00 H new ATOM 0 HB3 HIS B 42 9.100 10.234 -6.805 1.00 0.00 H new ATOM 0 HD2 HIS B 42 9.668 9.791 -10.112 1.00 0.00 H new ATOM 0 HE1 HIS B 42 11.039 13.780 -9.944 1.00 0.00 H new ATOM 0 HE2 HIS B 42 10.237 11.936 -11.533 1.00 0.00 H new ATOM 2167 N PHE B 43 9.348 11.485 -4.563 1.00 0.00 N ATOM 2168 CA PHE B 43 8.624 12.514 -3.763 1.00 0.00 C ATOM 2169 C PHE B 43 9.445 12.876 -2.523 1.00 0.00 C ATOM 2170 O PHE B 43 9.039 13.686 -1.715 1.00 0.00 O ATOM 2171 CB PHE B 43 7.267 11.958 -3.323 1.00 0.00 C ATOM 2172 CG PHE B 43 6.721 11.051 -4.397 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.880 11.391 -5.746 1.00 0.00 C ATOM 2174 CD2 PHE B 43 6.057 9.870 -4.045 1.00 0.00 C ATOM 2175 CE1 PHE B 43 6.375 10.550 -6.743 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.552 9.029 -5.043 1.00 0.00 C ATOM 2177 CZ PHE B 43 5.711 9.370 -6.392 1.00 0.00 C ATOM 0 H PHE B 43 8.977 10.538 -4.490 1.00 0.00 H new ATOM 0 HA PHE B 43 8.476 13.404 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.374 11.408 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.571 12.776 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.392 12.302 -6.017 1.00 0.00 H new ATOM 0 HD2 PHE B 43 5.935 9.608 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE B 43 6.498 10.812 -7.784 1.00 0.00 H new ATOM 0 HE2 PHE B 43 5.040 8.117 -4.773 1.00 0.00 H new ATOM 0 HZ PHE B 43 5.321 8.721 -7.162 1.00 0.00 H new ATOM 2187 N LEU B 44 10.595 12.279 -2.363 1.00 0.00 N ATOM 2188 CA LEU B 44 11.434 12.592 -1.172 1.00 0.00 C ATOM 2189 C LEU B 44 12.093 13.960 -1.354 1.00 0.00 C ATOM 2190 O LEU B 44 13.023 14.116 -2.120 1.00 0.00 O ATOM 2191 CB LEU B 44 12.514 11.519 -1.015 1.00 0.00 C ATOM 2192 CG LEU B 44 12.965 11.461 0.446 1.00 0.00 C ATOM 2193 CD1 LEU B 44 13.331 10.021 0.812 1.00 0.00 C ATOM 2194 CD2 LEU B 44 14.186 12.361 0.635 1.00 0.00 C ATOM 0 H LEU B 44 10.989 11.590 -3.004 1.00 0.00 H new ATOM 0 HA LEU B 44 10.807 12.610 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.126 10.549 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.363 11.745 -1.660 1.00 0.00 H new ATOM 0 HG LEU B 44 12.156 11.803 1.091 1.00 0.00 H new ATOM 0 HD11 LEU B 44 13.652 9.981 1.853 1.00 0.00 H new ATOM 0 HD12 LEU B 44 12.461 9.379 0.675 1.00 0.00 H new ATOM 0 HD13 LEU B 44 14.141 9.677 0.169 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.510 12.322 1.675 1.00 0.00 H new ATOM 0 HD22 LEU B 44 14.995 12.017 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU B 44 13.926 13.387 0.375 1.00 0.00 H new ATOM 2206 N GLU B 45 11.618 14.952 -0.651 1.00 0.00 N ATOM 2207 CA GLU B 45 12.215 16.312 -0.776 1.00 0.00 C ATOM 2208 C GLU B 45 12.030 17.065 0.542 1.00 0.00 C ATOM 2209 O GLU B 45 12.940 17.693 1.046 1.00 0.00 O ATOM 2210 CB GLU B 45 11.525 17.083 -1.907 1.00 0.00 C ATOM 2211 CG GLU B 45 10.087 16.589 -2.070 1.00 0.00 C ATOM 2212 CD GLU B 45 9.193 17.755 -2.498 1.00 0.00 C ATOM 2213 OE1 GLU B 45 9.131 18.728 -1.765 1.00 0.00 O ATOM 2214 OE2 GLU B 45 8.587 17.655 -3.553 1.00 0.00 O ATOM 0 H GLU B 45 10.841 14.879 0.006 1.00 0.00 H new ATOM 0 HA GLU B 45 13.277 16.221 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.530 18.151 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.073 16.947 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.047 15.793 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU B 45 9.728 16.166 -1.132 1.00 0.00 H new ATOM 2221 N GLU B 46 10.858 17.000 1.105 1.00 0.00 N ATOM 2222 CA GLU B 46 10.603 17.702 2.394 1.00 0.00 C ATOM 2223 C GLU B 46 10.113 16.687 3.429 1.00 0.00 C ATOM 2224 O GLU B 46 10.503 16.715 4.580 1.00 0.00 O ATOM 2225 CB GLU B 46 9.539 18.783 2.189 1.00 0.00 C ATOM 2226 CG GLU B 46 10.149 19.963 1.430 1.00 0.00 C ATOM 2227 CD GLU B 46 9.237 21.185 1.564 1.00 0.00 C ATOM 2228 OE1 GLU B 46 9.221 21.773 2.633 1.00 0.00 O ATOM 2229 OE2 GLU B 46 8.572 21.514 0.595 1.00 0.00 O ATOM 0 H GLU B 46 10.061 16.488 0.727 1.00 0.00 H new ATOM 0 HA GLU B 46 11.523 18.169 2.746 1.00 0.00 H new ATOM 0 HB2 GLU B 46 8.695 18.376 1.632 1.00 0.00 H new ATOM 0 HB3 GLU B 46 9.154 19.117 3.153 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.139 20.190 1.825 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.277 19.705 0.379 1.00 0.00 H new ATOM 2236 N ILE B 47 9.264 15.783 3.023 1.00 0.00 N ATOM 2237 CA ILE B 47 8.749 14.757 3.974 1.00 0.00 C ATOM 2238 C ILE B 47 8.018 15.441 5.131 1.00 0.00 C ATOM 2239 O ILE B 47 8.588 15.694 6.173 1.00 0.00 O ATOM 2240 CB ILE B 47 9.920 13.941 4.527 1.00 0.00 C ATOM 2241 CG1 ILE B 47 10.704 13.321 3.367 1.00 0.00 C ATOM 2242 CG2 ILE B 47 9.386 12.830 5.433 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.000 12.706 3.897 1.00 0.00 C ATOM 0 H ILE B 47 8.904 15.710 2.071 1.00 0.00 H new ATOM 0 HA ILE B 47 8.057 14.098 3.449 1.00 0.00 H new ATOM 0 HB ILE B 47 10.577 14.594 5.102 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.102 12.558 2.874 1.00 0.00 H new ATOM 0 HG13 ILE B 47 10.929 14.081 2.619 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.220 12.249 5.827 1.00 0.00 H new ATOM 0 HG22 ILE B 47 8.829 13.271 6.260 1.00 0.00 H new ATOM 0 HG23 ILE B 47 8.728 12.177 4.859 1.00 0.00 H new ATOM 0 HD11 ILE B 47 12.558 12.265 3.071 1.00 0.00 H new ATOM 0 HD12 ILE B 47 12.604 13.481 4.370 1.00 0.00 H new ATOM 0 HD13 ILE B 47 11.764 11.933 4.629 1.00 0.00 H new ATOM 2255 N LYS B 48 6.757 15.734 4.963 1.00 0.00 N ATOM 2256 CA LYS B 48 5.995 16.391 6.061 1.00 0.00 C ATOM 2257 C LYS B 48 5.980 15.465 7.280 1.00 0.00 C ATOM 2258 O LYS B 48 6.151 15.896 8.403 1.00 0.00 O ATOM 2259 CB LYS B 48 4.560 16.658 5.604 1.00 0.00 C ATOM 2260 CG LYS B 48 3.971 17.815 6.415 1.00 0.00 C ATOM 2261 CD LYS B 48 2.589 17.422 6.940 1.00 0.00 C ATOM 2262 CE LYS B 48 2.166 18.393 8.042 1.00 0.00 C ATOM 2263 NZ LYS B 48 3.236 18.469 9.076 1.00 0.00 N ATOM 0 H LYS B 48 6.223 15.547 4.114 1.00 0.00 H new ATOM 0 HA LYS B 48 6.469 17.337 6.321 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.545 16.900 4.541 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.953 15.762 5.735 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.630 18.062 7.247 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.895 18.707 5.793 1.00 0.00 H new ATOM 0 HD2 LYS B 48 1.862 17.438 6.128 1.00 0.00 H new ATOM 0 HD3 LYS B 48 2.612 16.403 7.327 1.00 0.00 H new ATOM 0 HE2 LYS B 48 1.983 19.381 7.620 1.00 0.00 H new ATOM 0 HE3 LYS B 48 1.231 18.061 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.812 18.691 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.730 17.555 9.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 3.915 19.214 8.819 1.00 0.00 H new ATOM 2277 N GLU B 49 5.783 14.194 7.063 1.00 0.00 N ATOM 2278 CA GLU B 49 5.765 13.233 8.201 1.00 0.00 C ATOM 2279 C GLU B 49 7.183 12.716 8.444 1.00 0.00 C ATOM 2280 O GLU B 49 7.526 11.614 8.068 1.00 0.00 O ATOM 2281 CB GLU B 49 4.846 12.057 7.864 1.00 0.00 C ATOM 2282 CG GLU B 49 3.454 12.311 8.445 1.00 0.00 C ATOM 2283 CD GLU B 49 3.484 12.085 9.959 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.430 11.475 10.429 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.559 12.526 10.621 1.00 0.00 O ATOM 0 H GLU B 49 5.633 13.778 6.144 1.00 0.00 H new ATOM 0 HA GLU B 49 5.397 13.734 9.096 1.00 0.00 H new ATOM 0 HB2 GLU B 49 4.782 11.930 6.783 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.257 11.133 8.270 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.137 13.330 8.225 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.727 11.644 7.981 1.00 0.00 H new ATOM 2292 N GLN B 50 8.012 13.509 9.065 1.00 0.00 N ATOM 2293 CA GLN B 50 9.409 13.067 9.326 1.00 0.00 C ATOM 2294 C GLN B 50 9.399 11.843 10.245 1.00 0.00 C ATOM 2295 O GLN B 50 10.304 11.034 10.225 1.00 0.00 O ATOM 2296 CB GLN B 50 10.187 14.201 9.993 1.00 0.00 C ATOM 2297 CG GLN B 50 11.689 13.971 9.805 1.00 0.00 C ATOM 2298 CD GLN B 50 12.441 14.449 11.048 1.00 0.00 C ATOM 2299 OE1 GLN B 50 11.836 14.873 12.012 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.745 14.398 11.066 1.00 0.00 N ATOM 0 H GLN B 50 7.782 14.444 9.403 1.00 0.00 H new ATOM 0 HA GLN B 50 9.887 12.805 8.382 1.00 0.00 H new ATOM 0 HB2 GLN B 50 9.898 15.158 9.559 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.946 14.246 11.055 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.886 12.913 9.633 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.042 14.508 8.925 1.00 0.00 H new ATOM 0 HE21 GLN B 50 14.253 14.042 10.256 1.00 0.00 H new ATOM 0 HE22 GLN B 50 14.256 14.714 11.890 1.00 0.00 H new ATOM 2309 N GLU B 51 8.387 11.701 11.055 1.00 0.00 N ATOM 2310 CA GLU B 51 8.329 10.528 11.975 1.00 0.00 C ATOM 2311 C GLU B 51 7.929 9.276 11.192 1.00 0.00 C ATOM 2312 O GLU B 51 8.296 8.172 11.542 1.00 0.00 O ATOM 2313 CB GLU B 51 7.300 10.794 13.074 1.00 0.00 C ATOM 2314 CG GLU B 51 7.736 10.095 14.365 1.00 0.00 C ATOM 2315 CD GLU B 51 7.136 10.824 15.569 1.00 0.00 C ATOM 2316 OE1 GLU B 51 6.022 10.495 15.941 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.801 11.698 16.098 1.00 0.00 O ATOM 0 H GLU B 51 7.598 12.345 11.121 1.00 0.00 H new ATOM 0 HA GLU B 51 9.310 10.373 12.424 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.203 11.866 13.244 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.320 10.430 12.765 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.409 9.055 14.356 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.824 10.086 14.437 1.00 0.00 H new ATOM 2324 N VAL B 52 7.176 9.437 10.138 1.00 0.00 N ATOM 2325 CA VAL B 52 6.753 8.252 9.342 1.00 0.00 C ATOM 2326 C VAL B 52 7.944 7.714 8.547 1.00 0.00 C ATOM 2327 O VAL B 52 8.251 6.539 8.593 1.00 0.00 O ATOM 2328 CB VAL B 52 5.636 8.658 8.379 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.293 7.478 7.470 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.395 9.060 9.181 1.00 0.00 C ATOM 0 H VAL B 52 6.837 10.336 9.795 1.00 0.00 H new ATOM 0 HA VAL B 52 6.389 7.475 10.015 1.00 0.00 H new ATOM 0 HB VAL B 52 5.967 9.500 7.772 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.497 7.767 6.784 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.176 7.189 6.900 1.00 0.00 H new ATOM 0 HG13 VAL B 52 4.961 6.636 8.077 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.598 9.350 8.497 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.064 8.216 9.787 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.638 9.900 9.831 1.00 0.00 H new ATOM 2340 N VAL B 53 8.620 8.561 7.821 1.00 0.00 N ATOM 2341 CA VAL B 53 9.790 8.087 7.030 1.00 0.00 C ATOM 2342 C VAL B 53 10.949 7.783 7.977 1.00 0.00 C ATOM 2343 O VAL B 53 11.787 6.949 7.701 1.00 0.00 O ATOM 2344 CB VAL B 53 10.211 9.171 6.038 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.518 8.760 5.357 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.120 9.346 4.979 1.00 0.00 C ATOM 0 H VAL B 53 8.414 9.557 7.741 1.00 0.00 H new ATOM 0 HA VAL B 53 9.519 7.184 6.483 1.00 0.00 H new ATOM 0 HB VAL B 53 10.357 10.111 6.570 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.818 9.533 4.650 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.297 8.634 6.109 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.372 7.819 4.826 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.420 10.119 4.272 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.974 8.405 4.448 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.188 9.639 5.462 1.00 0.00 H new ATOM 2356 N ASP B 54 11.002 8.448 9.098 1.00 0.00 N ATOM 2357 CA ASP B 54 12.101 8.181 10.062 1.00 0.00 C ATOM 2358 C ASP B 54 11.796 6.884 10.809 1.00 0.00 C ATOM 2359 O ASP B 54 12.673 6.255 11.368 1.00 0.00 O ATOM 2360 CB ASP B 54 12.203 9.334 11.063 1.00 0.00 C ATOM 2361 CG ASP B 54 12.818 10.555 10.377 1.00 0.00 C ATOM 2362 OD1 ASP B 54 12.436 10.834 9.252 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.662 11.190 10.986 1.00 0.00 O ATOM 0 H ASP B 54 10.333 9.162 9.386 1.00 0.00 H new ATOM 0 HA ASP B 54 13.046 8.090 9.526 1.00 0.00 H new ATOM 0 HB2 ASP B 54 11.215 9.581 11.451 1.00 0.00 H new ATOM 0 HB3 ASP B 54 12.814 9.036 11.915 1.00 0.00 H new ATOM 2368 N LYS B 55 10.556 6.472 10.817 1.00 0.00 N ATOM 2369 CA LYS B 55 10.195 5.214 11.520 1.00 0.00 C ATOM 2370 C LYS B 55 10.572 4.023 10.638 1.00 0.00 C ATOM 2371 O LYS B 55 11.285 3.132 11.056 1.00 0.00 O ATOM 2372 CB LYS B 55 8.691 5.202 11.793 1.00 0.00 C ATOM 2373 CG LYS B 55 8.286 3.841 12.361 1.00 0.00 C ATOM 2374 CD LYS B 55 7.280 3.184 11.418 1.00 0.00 C ATOM 2375 CE LYS B 55 6.450 2.158 12.193 1.00 0.00 C ATOM 2376 NZ LYS B 55 5.009 2.532 12.123 1.00 0.00 N ATOM 0 H LYS B 55 9.779 6.955 10.366 1.00 0.00 H new ATOM 0 HA LYS B 55 10.732 5.149 12.466 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.432 5.993 12.497 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.142 5.402 10.873 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.164 3.205 12.476 1.00 0.00 H new ATOM 0 HG3 LYS B 55 7.848 3.962 13.352 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.628 3.940 10.981 1.00 0.00 H new ATOM 0 HD3 LYS B 55 7.802 2.698 10.594 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.599 1.163 11.775 1.00 0.00 H new ATOM 0 HE3 LYS B 55 6.777 2.120 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.444 1.836 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 4.874 3.475 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 4.702 2.547 11.129 1.00 0.00 H new ATOM 2390 N VAL B 56 10.112 4.003 9.415 1.00 0.00 N ATOM 2391 CA VAL B 56 10.460 2.872 8.513 1.00 0.00 C ATOM 2392 C VAL B 56 11.954 2.930 8.201 1.00 0.00 C ATOM 2393 O VAL B 56 12.636 1.925 8.171 1.00 0.00 O ATOM 2394 CB VAL B 56 9.665 2.992 7.211 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.197 2.657 7.466 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.766 4.420 6.663 1.00 0.00 C ATOM 0 H VAL B 56 9.513 4.719 9.005 1.00 0.00 H new ATOM 0 HA VAL B 56 10.217 1.926 8.997 1.00 0.00 H new ATOM 0 HB VAL B 56 10.079 2.294 6.484 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.637 2.744 6.535 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.117 1.638 7.843 1.00 0.00 H new ATOM 0 HG13 VAL B 56 7.788 3.350 8.202 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.197 4.495 5.736 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.362 5.120 7.395 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.811 4.662 6.468 1.00 0.00 H new ATOM 2406 N MET B 57 12.464 4.107 7.975 1.00 0.00 N ATOM 2407 CA MET B 57 13.911 4.254 7.673 1.00 0.00 C ATOM 2408 C MET B 57 14.711 3.876 8.917 1.00 0.00 C ATOM 2409 O MET B 57 15.856 3.480 8.836 1.00 0.00 O ATOM 2410 CB MET B 57 14.198 5.709 7.299 1.00 0.00 C ATOM 2411 CG MET B 57 15.685 5.876 6.991 1.00 0.00 C ATOM 2412 SD MET B 57 15.885 6.725 5.403 1.00 0.00 S ATOM 2413 CE MET B 57 14.794 5.660 4.429 1.00 0.00 C ATOM 0 H MET B 57 11.935 4.979 7.987 1.00 0.00 H new ATOM 0 HA MET B 57 14.192 3.605 6.843 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.602 5.996 6.433 1.00 0.00 H new ATOM 0 HB3 MET B 57 13.910 6.369 8.117 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.169 6.447 7.784 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.172 4.901 6.958 1.00 0.00 H new ATOM 0 HE1 MET B 57 15.191 5.559 3.419 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.734 4.677 4.896 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.799 6.102 4.385 1.00 0.00 H new ATOM 2423 N GLU B 58 14.112 3.991 10.071 1.00 0.00 N ATOM 2424 CA GLU B 58 14.833 3.631 11.325 1.00 0.00 C ATOM 2425 C GLU B 58 14.972 2.109 11.408 1.00 0.00 C ATOM 2426 O GLU B 58 16.061 1.585 11.533 1.00 0.00 O ATOM 2427 CB GLU B 58 14.047 4.138 12.536 1.00 0.00 C ATOM 2428 CG GLU B 58 14.724 5.388 13.100 1.00 0.00 C ATOM 2429 CD GLU B 58 14.877 5.248 14.616 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.872 5.037 15.276 1.00 0.00 O ATOM 2431 OE2 GLU B 58 15.995 5.354 15.091 1.00 0.00 O ATOM 0 H GLU B 58 13.155 4.319 10.200 1.00 0.00 H new ATOM 0 HA GLU B 58 15.821 4.091 11.320 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.021 4.367 12.247 1.00 0.00 H new ATOM 0 HB3 GLU B 58 13.997 3.363 13.301 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.701 5.525 12.637 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.132 6.272 12.864 1.00 0.00 H new ATOM 2438 N THR B 59 13.883 1.392 11.328 1.00 0.00 N ATOM 2439 CA THR B 59 13.978 -0.093 11.391 1.00 0.00 C ATOM 2440 C THR B 59 14.818 -0.569 10.207 1.00 0.00 C ATOM 2441 O THR B 59 15.463 -1.598 10.255 1.00 0.00 O ATOM 2442 CB THR B 59 12.578 -0.706 11.310 1.00 0.00 C ATOM 2443 OG1 THR B 59 11.625 0.228 11.799 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.528 -1.981 12.156 1.00 0.00 C ATOM 0 H THR B 59 12.940 1.767 11.223 1.00 0.00 H new ATOM 0 HA THR B 59 14.440 -0.400 12.329 1.00 0.00 H new ATOM 0 HB THR B 59 12.347 -0.952 10.273 1.00 0.00 H new ATOM 0 HG1 THR B 59 10.728 -0.162 11.746 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.531 -2.417 12.098 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.259 -2.696 11.780 1.00 0.00 H new ATOM 0 HG23 THR B 59 12.758 -1.739 13.193 1.00 0.00 H new ATOM 2452 N LEU B 60 14.813 0.189 9.147 1.00 0.00 N ATOM 2453 CA LEU B 60 15.606 -0.186 7.946 1.00 0.00 C ATOM 2454 C LEU B 60 17.097 -0.137 8.283 1.00 0.00 C ATOM 2455 O LEU B 60 17.829 -1.083 8.065 1.00 0.00 O ATOM 2456 CB LEU B 60 15.301 0.814 6.829 1.00 0.00 C ATOM 2457 CG LEU B 60 14.185 0.262 5.944 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.758 1.329 4.933 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.690 -0.975 5.199 1.00 0.00 C ATOM 0 H LEU B 60 14.289 1.060 9.061 1.00 0.00 H new ATOM 0 HA LEU B 60 15.345 -1.195 7.626 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.002 1.772 7.255 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.196 0.995 6.234 1.00 0.00 H new ATOM 0 HG LEU B 60 13.331 -0.011 6.564 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.962 0.934 4.302 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.397 2.210 5.464 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.611 1.604 4.312 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.894 -1.369 4.567 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.544 -0.703 4.579 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.992 -1.735 5.919 1.00 0.00 H new ATOM 2471 N ASP B 61 17.550 0.967 8.810 1.00 0.00 N ATOM 2472 CA ASP B 61 18.993 1.097 9.162 1.00 0.00 C ATOM 2473 C ASP B 61 19.302 0.270 10.415 1.00 0.00 C ATOM 2474 O ASP B 61 20.446 0.013 10.731 1.00 0.00 O ATOM 2475 CB ASP B 61 19.313 2.568 9.435 1.00 0.00 C ATOM 2476 CG ASP B 61 20.376 3.052 8.448 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.109 3.030 7.258 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.442 3.438 8.899 1.00 0.00 O ATOM 0 H ASP B 61 16.981 1.789 9.013 1.00 0.00 H new ATOM 0 HA ASP B 61 19.600 0.732 8.334 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.410 3.171 9.338 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.669 2.690 10.458 1.00 0.00 H new ATOM 2483 N GLU B 62 18.295 -0.144 11.133 1.00 0.00 N ATOM 2484 CA GLU B 62 18.541 -0.947 12.366 1.00 0.00 C ATOM 2485 C GLU B 62 19.150 -2.298 11.987 1.00 0.00 C ATOM 2486 O GLU B 62 20.266 -2.613 12.348 1.00 0.00 O ATOM 2487 CB GLU B 62 17.221 -1.171 13.105 1.00 0.00 C ATOM 2488 CG GLU B 62 17.446 -1.020 14.611 1.00 0.00 C ATOM 2489 CD GLU B 62 16.131 -1.265 15.353 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.146 -0.641 14.992 1.00 0.00 O ATOM 2491 OE2 GLU B 62 16.131 -2.072 16.268 1.00 0.00 O ATOM 0 H GLU B 62 17.314 0.038 10.921 1.00 0.00 H new ATOM 0 HA GLU B 62 19.232 -0.408 13.014 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.475 -0.453 12.764 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.832 -2.165 12.883 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.203 -1.728 14.949 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.821 -0.021 14.835 1.00 0.00 H new ATOM 2498 N ASP B 63 18.422 -3.098 11.265 1.00 0.00 N ATOM 2499 CA ASP B 63 18.954 -4.430 10.863 1.00 0.00 C ATOM 2500 C ASP B 63 19.843 -4.275 9.629 1.00 0.00 C ATOM 2501 O ASP B 63 21.044 -4.447 9.691 1.00 0.00 O ATOM 2502 CB ASP B 63 17.790 -5.365 10.534 1.00 0.00 C ATOM 2503 CG ASP B 63 17.567 -6.333 11.699 1.00 0.00 C ATOM 2504 OD1 ASP B 63 16.819 -5.984 12.598 1.00 0.00 O ATOM 2505 OD2 ASP B 63 18.146 -7.407 11.671 1.00 0.00 O ATOM 0 H ASP B 63 17.480 -2.889 10.934 1.00 0.00 H new ATOM 0 HA ASP B 63 19.539 -4.848 11.682 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.885 -4.786 10.350 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.003 -5.921 9.621 1.00 0.00 H new ATOM 2510 N GLY B 64 19.259 -3.955 8.511 1.00 0.00 N ATOM 2511 CA GLY B 64 20.066 -3.790 7.268 1.00 0.00 C ATOM 2512 C GLY B 64 20.140 -5.127 6.528 1.00 0.00 C ATOM 2513 O GLY B 64 20.060 -5.183 5.317 1.00 0.00 O ATOM 0 H GLY B 64 18.257 -3.800 8.402 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.616 -3.032 6.627 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.069 -3.443 7.516 1.00 0.00 H new ATOM 2517 N ASP B 65 20.291 -6.204 7.249 1.00 0.00 N ATOM 2518 CA ASP B 65 20.369 -7.538 6.591 1.00 0.00 C ATOM 2519 C ASP B 65 19.298 -8.457 7.179 1.00 0.00 C ATOM 2520 O ASP B 65 19.570 -9.576 7.567 1.00 0.00 O ATOM 2521 CB ASP B 65 21.752 -8.148 6.835 1.00 0.00 C ATOM 2522 CG ASP B 65 22.018 -9.245 5.802 1.00 0.00 C ATOM 2523 OD1 ASP B 65 21.399 -10.291 5.905 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.837 -9.020 4.925 1.00 0.00 O ATOM 0 H ASP B 65 20.364 -6.217 8.266 1.00 0.00 H new ATOM 0 HA ASP B 65 20.206 -7.425 5.519 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.518 -7.376 6.766 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.806 -8.562 7.842 1.00 0.00 H new ATOM 2529 N GLY B 66 18.079 -7.993 7.249 1.00 0.00 N ATOM 2530 CA GLY B 66 16.993 -8.838 7.814 1.00 0.00 C ATOM 2531 C GLY B 66 16.050 -9.279 6.694 1.00 0.00 C ATOM 2532 O GLY B 66 16.319 -9.079 5.526 1.00 0.00 O ATOM 0 H GLY B 66 17.791 -7.065 6.939 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.418 -9.711 8.310 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.440 -8.280 8.570 1.00 0.00 H new ATOM 2536 N GLU B 67 14.944 -9.880 7.042 1.00 0.00 N ATOM 2537 CA GLU B 67 13.986 -10.337 5.997 1.00 0.00 C ATOM 2538 C GLU B 67 12.602 -9.742 6.271 1.00 0.00 C ATOM 2539 O GLU B 67 12.179 -9.624 7.404 1.00 0.00 O ATOM 2540 CB GLU B 67 13.898 -11.864 6.024 1.00 0.00 C ATOM 2541 CG GLU B 67 15.141 -12.461 5.361 1.00 0.00 C ATOM 2542 CD GLU B 67 15.674 -13.614 6.216 1.00 0.00 C ATOM 2543 OE1 GLU B 67 16.336 -13.338 7.203 1.00 0.00 O ATOM 2544 OE2 GLU B 67 15.413 -14.754 5.869 1.00 0.00 O ATOM 0 H GLU B 67 14.664 -10.074 8.003 1.00 0.00 H new ATOM 0 HA GLU B 67 14.333 -10.007 5.018 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.818 -12.216 7.053 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.000 -12.196 5.503 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.896 -12.819 4.361 1.00 0.00 H new ATOM 0 HG3 GLU B 67 15.908 -11.695 5.246 1.00 0.00 H new ATOM 2551 N CYS B 68 11.894 -9.367 5.239 1.00 0.00 N ATOM 2552 CA CYS B 68 10.538 -8.781 5.436 1.00 0.00 C ATOM 2553 C CYS B 68 9.487 -9.731 4.866 1.00 0.00 C ATOM 2554 O CYS B 68 9.791 -10.613 4.087 1.00 0.00 O ATOM 2555 CB CYS B 68 10.455 -7.434 4.713 1.00 0.00 C ATOM 2556 SG CYS B 68 11.816 -6.376 5.257 1.00 0.00 S ATOM 0 H CYS B 68 12.197 -9.442 4.268 1.00 0.00 H new ATOM 0 HA CYS B 68 10.356 -8.633 6.500 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.505 -7.584 3.635 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.500 -6.954 4.924 1.00 0.00 H new ATOM 0 HG CYS B 68 12.013 -5.437 4.380 1.00 0.00 H new ATOM 2562 N ASP B 69 8.252 -9.561 5.246 1.00 0.00 N ATOM 2563 CA ASP B 69 7.184 -10.456 4.726 1.00 0.00 C ATOM 2564 C ASP B 69 6.558 -9.829 3.479 1.00 0.00 C ATOM 2565 O ASP B 69 6.838 -8.699 3.132 1.00 0.00 O ATOM 2566 CB ASP B 69 6.109 -10.646 5.798 1.00 0.00 C ATOM 2567 CG ASP B 69 6.699 -11.403 6.989 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.237 -10.754 7.871 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.602 -12.619 7.001 1.00 0.00 O ATOM 0 H ASP B 69 7.937 -8.840 5.895 1.00 0.00 H new ATOM 0 HA ASP B 69 7.614 -11.424 4.469 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.729 -9.677 6.122 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.264 -11.198 5.386 1.00 0.00 H new ATOM 2574 N PHE B 70 5.709 -10.553 2.803 1.00 0.00 N ATOM 2575 CA PHE B 70 5.066 -9.996 1.581 1.00 0.00 C ATOM 2576 C PHE B 70 4.077 -8.902 1.985 1.00 0.00 C ATOM 2577 O PHE B 70 3.958 -7.885 1.330 1.00 0.00 O ATOM 2578 CB PHE B 70 4.320 -11.108 0.842 1.00 0.00 C ATOM 2579 CG PHE B 70 3.435 -11.849 1.816 1.00 0.00 C ATOM 2580 CD1 PHE B 70 2.182 -11.326 2.159 1.00 0.00 C ATOM 2581 CD2 PHE B 70 3.866 -13.057 2.374 1.00 0.00 C ATOM 2582 CE1 PHE B 70 1.361 -12.013 3.062 1.00 0.00 C ATOM 2583 CE2 PHE B 70 3.046 -13.745 3.276 1.00 0.00 C ATOM 2584 CZ PHE B 70 1.793 -13.223 3.620 1.00 0.00 C ATOM 0 H PHE B 70 5.433 -11.505 3.044 1.00 0.00 H new ATOM 0 HA PHE B 70 5.830 -9.577 0.927 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.720 -10.686 0.036 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.031 -11.795 0.383 1.00 0.00 H new ATOM 0 HD1 PHE B 70 1.849 -10.394 1.728 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.832 -13.459 2.109 1.00 0.00 H new ATOM 0 HE1 PHE B 70 0.395 -11.610 3.328 1.00 0.00 H new ATOM 0 HE2 PHE B 70 3.379 -14.678 3.706 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.160 -13.753 4.316 1.00 0.00 H new ATOM 2594 N GLN B 71 3.364 -9.102 3.060 1.00 0.00 N ATOM 2595 CA GLN B 71 2.385 -8.073 3.502 1.00 0.00 C ATOM 2596 C GLN B 71 3.127 -6.936 4.209 1.00 0.00 C ATOM 2597 O GLN B 71 2.702 -5.799 4.187 1.00 0.00 O ATOM 2598 CB GLN B 71 1.364 -8.707 4.455 1.00 0.00 C ATOM 2599 CG GLN B 71 1.985 -8.890 5.844 1.00 0.00 C ATOM 2600 CD GLN B 71 1.698 -7.655 6.701 1.00 0.00 C ATOM 2601 OE1 GLN B 71 2.577 -7.151 7.371 1.00 0.00 O ATOM 2602 NE2 GLN B 71 0.497 -7.145 6.712 1.00 0.00 N ATOM 0 H GLN B 71 3.418 -9.933 3.649 1.00 0.00 H new ATOM 0 HA GLN B 71 1.859 -7.673 2.635 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.478 -8.076 4.524 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.039 -9.671 4.063 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.576 -9.780 6.322 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.061 -9.042 5.755 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.242 -7.568 6.150 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.297 -6.324 7.283 1.00 0.00 H new ATOM 2611 N GLU B 72 4.239 -7.230 4.830 1.00 0.00 N ATOM 2612 CA GLU B 72 5.005 -6.159 5.526 1.00 0.00 C ATOM 2613 C GLU B 72 5.577 -5.199 4.483 1.00 0.00 C ATOM 2614 O GLU B 72 5.287 -4.020 4.482 1.00 0.00 O ATOM 2615 CB GLU B 72 6.148 -6.788 6.329 1.00 0.00 C ATOM 2616 CG GLU B 72 5.717 -6.965 7.786 1.00 0.00 C ATOM 2617 CD GLU B 72 6.536 -6.031 8.679 1.00 0.00 C ATOM 2618 OE1 GLU B 72 6.699 -4.880 8.305 1.00 0.00 O ATOM 2619 OE2 GLU B 72 6.987 -6.481 9.719 1.00 0.00 O ATOM 0 H GLU B 72 4.648 -8.163 4.884 1.00 0.00 H new ATOM 0 HA GLU B 72 4.348 -5.615 6.204 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.419 -7.753 5.900 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.034 -6.155 6.276 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.654 -6.746 7.891 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.861 -8.000 8.096 1.00 0.00 H new ATOM 2626 N PHE B 73 6.380 -5.700 3.583 1.00 0.00 N ATOM 2627 CA PHE B 73 6.958 -4.821 2.528 1.00 0.00 C ATOM 2628 C PHE B 73 5.815 -4.038 1.869 1.00 0.00 C ATOM 2629 O PHE B 73 6.018 -2.995 1.280 1.00 0.00 O ATOM 2630 CB PHE B 73 7.706 -5.702 1.500 1.00 0.00 C ATOM 2631 CG PHE B 73 7.384 -5.291 0.076 1.00 0.00 C ATOM 2632 CD1 PHE B 73 8.074 -4.230 -0.524 1.00 0.00 C ATOM 2633 CD2 PHE B 73 6.398 -5.977 -0.642 1.00 0.00 C ATOM 2634 CE1 PHE B 73 7.777 -3.855 -1.840 1.00 0.00 C ATOM 2635 CE2 PHE B 73 6.101 -5.601 -1.958 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.791 -4.541 -2.557 1.00 0.00 C ATOM 0 H PHE B 73 6.660 -6.680 3.533 1.00 0.00 H new ATOM 0 HA PHE B 73 7.669 -4.111 2.950 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.780 -5.626 1.668 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.434 -6.747 1.648 1.00 0.00 H new ATOM 0 HD1 PHE B 73 8.836 -3.701 0.029 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.866 -6.796 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE B 73 8.309 -3.036 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.339 -6.130 -2.511 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.562 -4.253 -3.572 1.00 0.00 H new ATOM 2646 N MET B 74 4.615 -4.540 1.968 1.00 0.00 N ATOM 2647 CA MET B 74 3.452 -3.841 1.354 1.00 0.00 C ATOM 2648 C MET B 74 3.083 -2.620 2.190 1.00 0.00 C ATOM 2649 O MET B 74 3.170 -1.495 1.741 1.00 0.00 O ATOM 2650 CB MET B 74 2.256 -4.796 1.320 1.00 0.00 C ATOM 2651 CG MET B 74 1.647 -4.823 -0.082 1.00 0.00 C ATOM 2652 SD MET B 74 2.878 -5.415 -1.269 1.00 0.00 S ATOM 2653 CE MET B 74 3.361 -3.793 -1.905 1.00 0.00 C ATOM 0 H MET B 74 4.389 -5.410 2.451 1.00 0.00 H new ATOM 0 HA MET B 74 3.713 -3.526 0.344 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.573 -5.799 1.607 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.506 -4.479 2.045 1.00 0.00 H new ATOM 0 HG2 MET B 74 0.772 -5.472 -0.097 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.308 -3.825 -0.361 1.00 0.00 H new ATOM 0 HE1 MET B 74 3.887 -3.915 -2.852 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.471 -3.183 -2.060 1.00 0.00 H new ATOM 0 HE3 MET B 74 4.017 -3.301 -1.187 1.00 0.00 H new ATOM 2663 N ALA B 75 2.659 -2.838 3.400 1.00 0.00 N ATOM 2664 CA ALA B 75 2.268 -1.696 4.266 1.00 0.00 C ATOM 2665 C ALA B 75 3.458 -0.753 4.435 1.00 0.00 C ATOM 2666 O ALA B 75 3.311 0.373 4.860 1.00 0.00 O ATOM 2667 CB ALA B 75 1.826 -2.216 5.635 1.00 0.00 C ATOM 0 H ALA B 75 2.566 -3.759 3.828 1.00 0.00 H new ATOM 0 HA ALA B 75 1.442 -1.157 3.802 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.540 -1.376 6.268 1.00 0.00 H new ATOM 0 HB2 ALA B 75 0.974 -2.885 5.512 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.649 -2.758 6.101 1.00 0.00 H new ATOM 2673 N PHE B 76 4.636 -1.206 4.100 1.00 0.00 N ATOM 2674 CA PHE B 76 5.837 -0.337 4.234 1.00 0.00 C ATOM 2675 C PHE B 76 5.903 0.624 3.043 1.00 0.00 C ATOM 2676 O PHE B 76 6.118 1.808 3.200 1.00 0.00 O ATOM 2677 CB PHE B 76 7.093 -1.211 4.249 1.00 0.00 C ATOM 2678 CG PHE B 76 7.819 -1.037 5.561 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.216 -1.445 6.757 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.099 -0.472 5.579 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.891 -1.286 7.972 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.775 -0.313 6.795 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.172 -0.720 7.991 1.00 0.00 C ATOM 0 H PHE B 76 4.817 -2.143 3.739 1.00 0.00 H new ATOM 0 HA PHE B 76 5.775 0.233 5.161 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.821 -2.257 4.109 1.00 0.00 H new ATOM 0 HB3 PHE B 76 7.748 -0.938 3.421 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.229 -1.883 6.742 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.565 -0.159 4.656 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.425 -1.599 8.894 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.763 0.124 6.810 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.694 -0.598 8.928 1.00 0.00 H new ATOM 2693 N VAL B 77 5.722 0.120 1.854 1.00 0.00 N ATOM 2694 CA VAL B 77 5.778 0.995 0.645 1.00 0.00 C ATOM 2695 C VAL B 77 4.644 2.024 0.683 1.00 0.00 C ATOM 2696 O VAL B 77 4.754 3.091 0.119 1.00 0.00 O ATOM 2697 CB VAL B 77 5.628 0.125 -0.604 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.489 1.017 -1.840 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.864 -0.764 -0.754 1.00 0.00 C ATOM 0 H VAL B 77 5.537 -0.865 1.665 1.00 0.00 H new ATOM 0 HA VAL B 77 6.732 1.521 0.626 1.00 0.00 H new ATOM 0 HB VAL B 77 4.739 -0.498 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.382 0.394 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.609 1.651 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.377 1.642 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.760 -1.385 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.752 -0.139 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.962 -1.402 0.124 1.00 0.00 H new ATOM 2709 N SER B 78 3.551 1.710 1.323 1.00 0.00 N ATOM 2710 CA SER B 78 2.409 2.675 1.363 1.00 0.00 C ATOM 2711 C SER B 78 2.634 3.765 2.419 1.00 0.00 C ATOM 2712 O SER B 78 2.400 4.932 2.175 1.00 0.00 O ATOM 2713 CB SER B 78 1.125 1.916 1.697 1.00 0.00 C ATOM 2714 OG SER B 78 0.983 0.819 0.804 1.00 0.00 O ATOM 0 H SER B 78 3.397 0.832 1.819 1.00 0.00 H new ATOM 0 HA SER B 78 2.331 3.153 0.387 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.157 1.560 2.727 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.264 2.580 1.616 1.00 0.00 H new ATOM 0 HG SER B 78 0.251 0.242 1.108 1.00 0.00 H new ATOM 2720 N MET B 79 3.052 3.395 3.598 1.00 0.00 N ATOM 2721 CA MET B 79 3.253 4.412 4.674 1.00 0.00 C ATOM 2722 C MET B 79 4.230 5.505 4.225 1.00 0.00 C ATOM 2723 O MET B 79 4.062 6.664 4.548 1.00 0.00 O ATOM 2724 CB MET B 79 3.792 3.733 5.936 1.00 0.00 C ATOM 2725 CG MET B 79 4.891 2.733 5.574 1.00 0.00 C ATOM 2726 SD MET B 79 5.370 1.811 7.058 1.00 0.00 S ATOM 2727 CE MET B 79 5.353 3.208 8.208 1.00 0.00 C ATOM 0 H MET B 79 3.264 2.434 3.865 1.00 0.00 H new ATOM 0 HA MET B 79 2.290 4.876 4.887 1.00 0.00 H new ATOM 0 HB2 MET B 79 4.186 4.484 6.621 1.00 0.00 H new ATOM 0 HB3 MET B 79 2.982 3.221 6.456 1.00 0.00 H new ATOM 0 HG2 MET B 79 4.536 2.048 4.804 1.00 0.00 H new ATOM 0 HG3 MET B 79 5.754 3.256 5.162 1.00 0.00 H new ATOM 0 HE1 MET B 79 5.872 2.930 9.126 1.00 0.00 H new ATOM 0 HE2 MET B 79 5.855 4.061 7.752 1.00 0.00 H new ATOM 0 HE3 MET B 79 4.322 3.475 8.441 1.00 0.00 H new ATOM 2737 N VAL B 80 5.255 5.153 3.505 1.00 0.00 N ATOM 2738 CA VAL B 80 6.241 6.193 3.068 1.00 0.00 C ATOM 2739 C VAL B 80 5.690 7.004 1.882 1.00 0.00 C ATOM 2740 O VAL B 80 5.973 8.178 1.748 1.00 0.00 O ATOM 2741 CB VAL B 80 7.574 5.543 2.663 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.538 5.544 3.852 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.347 4.102 2.209 1.00 0.00 C ATOM 0 H VAL B 80 5.457 4.201 3.199 1.00 0.00 H new ATOM 0 HA VAL B 80 6.410 6.863 3.911 1.00 0.00 H new ATOM 0 HB VAL B 80 8.001 6.118 1.841 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.480 5.082 3.557 1.00 0.00 H new ATOM 0 HG12 VAL B 80 8.721 6.570 4.171 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.100 4.981 4.676 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.300 3.655 1.926 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.906 3.529 3.024 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.673 4.092 1.353 1.00 0.00 H new ATOM 2753 N THR B 81 4.919 6.401 1.014 1.00 0.00 N ATOM 2754 CA THR B 81 4.380 7.168 -0.154 1.00 0.00 C ATOM 2755 C THR B 81 3.429 8.259 0.342 1.00 0.00 C ATOM 2756 O THR B 81 3.068 9.161 -0.389 1.00 0.00 O ATOM 2757 CB THR B 81 3.625 6.225 -1.098 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.280 4.968 -1.127 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.597 6.814 -2.514 1.00 0.00 C ATOM 0 H THR B 81 4.640 5.421 1.060 1.00 0.00 H new ATOM 0 HA THR B 81 5.211 7.624 -0.692 1.00 0.00 H new ATOM 0 HB THR B 81 2.603 6.102 -0.740 1.00 0.00 H new ATOM 0 HG1 THR B 81 3.867 4.369 -0.470 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.059 6.138 -3.179 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.095 7.781 -2.496 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.617 6.942 -2.875 1.00 0.00 H new ATOM 2767 N THR B 82 3.019 8.188 1.580 1.00 0.00 N ATOM 2768 CA THR B 82 2.093 9.222 2.119 1.00 0.00 C ATOM 2769 C THR B 82 2.865 10.168 3.039 1.00 0.00 C ATOM 2770 O THR B 82 2.397 11.235 3.385 1.00 0.00 O ATOM 2771 CB THR B 82 0.972 8.542 2.910 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.500 7.419 3.604 1.00 0.00 O ATOM 2773 CG2 THR B 82 -0.124 8.084 1.949 1.00 0.00 C ATOM 0 H THR B 82 3.286 7.458 2.240 1.00 0.00 H new ATOM 0 HA THR B 82 1.662 9.789 1.294 1.00 0.00 H new ATOM 0 HB THR B 82 0.551 9.246 3.627 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.611 6.672 2.980 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.922 7.600 2.512 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.526 8.947 1.418 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.293 7.378 1.231 1.00 0.00 H new ATOM 2781 N ALA B 83 4.048 9.785 3.439 1.00 0.00 N ATOM 2782 CA ALA B 83 4.851 10.661 4.336 1.00 0.00 C ATOM 2783 C ALA B 83 5.916 11.396 3.517 1.00 0.00 C ATOM 2784 O ALA B 83 6.744 12.104 4.054 1.00 0.00 O ATOM 2785 CB ALA B 83 5.531 9.805 5.408 1.00 0.00 C ATOM 0 H ALA B 83 4.492 8.903 3.183 1.00 0.00 H new ATOM 0 HA ALA B 83 4.196 11.390 4.813 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.119 10.445 6.066 1.00 0.00 H new ATOM 0 HB2 ALA B 83 4.773 9.284 5.992 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.186 9.076 4.930 1.00 0.00 H new ATOM 2791 N CYS B 84 5.904 11.231 2.221 1.00 0.00 N ATOM 2792 CA CYS B 84 6.918 11.920 1.373 1.00 0.00 C ATOM 2793 C CYS B 84 6.345 13.245 0.863 1.00 0.00 C ATOM 2794 O CYS B 84 7.073 14.153 0.511 1.00 0.00 O ATOM 2795 CB CYS B 84 7.277 11.030 0.181 1.00 0.00 C ATOM 2796 SG CYS B 84 8.403 9.720 0.722 1.00 0.00 S ATOM 0 H CYS B 84 5.237 10.650 1.714 1.00 0.00 H new ATOM 0 HA CYS B 84 7.812 12.115 1.965 1.00 0.00 H new ATOM 0 HB2 CYS B 84 6.374 10.594 -0.246 1.00 0.00 H new ATOM 0 HB3 CYS B 84 7.745 11.625 -0.603 1.00 0.00 H new ATOM 0 HG CYS B 84 7.716 8.735 1.218 1.00 0.00 H new ATOM 2802 N HIS B 85 5.048 13.362 0.816 1.00 0.00 N ATOM 2803 CA HIS B 85 4.428 14.626 0.324 1.00 0.00 C ATOM 2804 C HIS B 85 4.608 14.719 -1.191 1.00 0.00 C ATOM 2805 O HIS B 85 4.716 13.718 -1.869 1.00 0.00 O ATOM 2806 CB HIS B 85 5.098 15.825 0.995 1.00 0.00 C ATOM 2807 CG HIS B 85 4.044 16.810 1.422 1.00 0.00 C ATOM 2808 ND1 HIS B 85 4.105 18.152 1.081 1.00 0.00 N ATOM 2809 CD2 HIS B 85 2.895 16.663 2.160 1.00 0.00 C ATOM 2810 CE1 HIS B 85 3.023 18.754 1.608 1.00 0.00 C ATOM 2811 NE2 HIS B 85 2.252 17.892 2.277 1.00 0.00 N ATOM 0 H HIS B 85 4.388 12.637 1.097 1.00 0.00 H new ATOM 0 HA HIS B 85 3.365 14.629 0.567 1.00 0.00 H new ATOM 0 HB2 HIS B 85 5.676 15.497 1.859 1.00 0.00 H new ATOM 0 HB3 HIS B 85 5.797 16.299 0.305 1.00 0.00 H new ATOM 0 HD2 HIS B 85 2.544 15.734 2.585 1.00 0.00 H new ATOM 0 HE1 HIS B 85 2.804 19.806 1.503 1.00 0.00 H new ATOM 0 HE2 HIS B 85 1.380 18.091 2.768 1.00 0.00 H new ATOM 2819 N GLU B 86 4.635 15.915 -1.724 1.00 0.00 N ATOM 2820 CA GLU B 86 4.800 16.086 -3.200 1.00 0.00 C ATOM 2821 C GLU B 86 3.442 15.900 -3.882 1.00 0.00 C ATOM 2822 O GLU B 86 2.871 16.832 -4.412 1.00 0.00 O ATOM 2823 CB GLU B 86 5.793 15.052 -3.740 1.00 0.00 C ATOM 2824 CG GLU B 86 6.477 15.607 -4.992 1.00 0.00 C ATOM 2825 CD GLU B 86 5.418 16.031 -6.010 1.00 0.00 C ATOM 2826 OE1 GLU B 86 4.819 15.155 -6.613 1.00 0.00 O ATOM 2827 OE2 GLU B 86 5.222 17.224 -6.172 1.00 0.00 O ATOM 0 H GLU B 86 4.549 16.784 -1.197 1.00 0.00 H new ATOM 0 HA GLU B 86 5.183 17.085 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU B 86 6.538 14.816 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU B 86 5.274 14.123 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU B 86 7.104 16.459 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU B 86 7.131 14.851 -5.426 1.00 0.00 H new ATOM 2834 N PHE B 87 2.920 14.706 -3.866 1.00 0.00 N ATOM 2835 CA PHE B 87 1.598 14.460 -4.502 1.00 0.00 C ATOM 2836 C PHE B 87 0.538 15.314 -3.791 1.00 0.00 C ATOM 2837 O PHE B 87 -0.371 15.833 -4.407 1.00 0.00 O ATOM 2838 CB PHE B 87 1.273 12.952 -4.391 1.00 0.00 C ATOM 2839 CG PHE B 87 -0.148 12.720 -3.916 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -1.225 13.215 -4.659 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -0.382 12.006 -2.733 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -2.537 12.998 -4.218 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -1.693 11.787 -2.293 1.00 0.00 C ATOM 2844 CZ PHE B 87 -2.771 12.284 -3.036 1.00 0.00 C ATOM 0 H PHE B 87 3.354 13.888 -3.438 1.00 0.00 H new ATOM 0 HA PHE B 87 1.611 14.738 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE B 87 1.415 12.476 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE B 87 1.970 12.479 -3.699 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.045 13.764 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE B 87 0.450 11.624 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.369 13.382 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.873 11.236 -1.382 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.783 12.117 -2.698 1.00 0.00 H new ATOM 2854 N PHE B 88 0.651 15.459 -2.499 1.00 0.00 N ATOM 2855 CA PHE B 88 -0.345 16.273 -1.745 1.00 0.00 C ATOM 2856 C PHE B 88 -0.155 17.756 -2.073 1.00 0.00 C ATOM 2857 O PHE B 88 -1.018 18.573 -1.820 1.00 0.00 O ATOM 2858 CB PHE B 88 -0.150 16.048 -0.244 1.00 0.00 C ATOM 2859 CG PHE B 88 -0.492 14.616 0.097 1.00 0.00 C ATOM 2860 CD1 PHE B 88 0.459 13.604 -0.085 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -1.762 14.301 0.595 1.00 0.00 C ATOM 2862 CE1 PHE B 88 0.141 12.277 0.230 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -2.081 12.974 0.910 1.00 0.00 C ATOM 2864 CZ PHE B 88 -1.130 11.962 0.727 1.00 0.00 C ATOM 0 H PHE B 88 1.392 15.048 -1.931 1.00 0.00 H new ATOM 0 HA PHE B 88 -1.352 15.971 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE B 88 0.881 16.264 0.036 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -0.784 16.730 0.323 1.00 0.00 H new ATOM 0 HD1 PHE B 88 1.439 13.847 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -2.496 15.081 0.736 1.00 0.00 H new ATOM 0 HE1 PHE B 88 0.875 11.497 0.090 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -3.061 12.731 1.294 1.00 0.00 H new ATOM 0 HZ PHE B 88 -1.377 10.939 0.969 1.00 0.00 H new ATOM 2874 N GLU B 89 0.969 18.110 -2.633 1.00 0.00 N ATOM 2875 CA GLU B 89 1.212 19.541 -2.975 1.00 0.00 C ATOM 2876 C GLU B 89 0.483 19.890 -4.277 1.00 0.00 C ATOM 2877 O GLU B 89 0.451 21.031 -4.694 1.00 0.00 O ATOM 2878 CB GLU B 89 2.713 19.777 -3.151 1.00 0.00 C ATOM 2879 CG GLU B 89 3.190 20.794 -2.113 1.00 0.00 C ATOM 2880 CD GLU B 89 2.783 22.203 -2.554 1.00 0.00 C ATOM 2881 OE1 GLU B 89 3.263 22.641 -3.586 1.00 0.00 O ATOM 2882 OE2 GLU B 89 1.996 22.818 -1.852 1.00 0.00 O ATOM 0 H GLU B 89 1.729 17.472 -2.868 1.00 0.00 H new ATOM 0 HA GLU B 89 0.837 20.173 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU B 89 3.256 18.839 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU B 89 2.920 20.142 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU B 89 2.756 20.567 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU B 89 4.273 20.735 -2.001 1.00 0.00 H new ATOM 2889 N HIS B 90 -0.108 18.916 -4.916 1.00 0.00 N ATOM 2890 CA HIS B 90 -0.844 19.187 -6.185 1.00 0.00 C ATOM 2891 C HIS B 90 0.143 19.330 -7.348 1.00 0.00 C ATOM 2892 O HIS B 90 -0.250 19.470 -8.490 1.00 0.00 O ATOM 2893 CB HIS B 90 -1.656 20.475 -6.044 1.00 0.00 C ATOM 2894 CG HIS B 90 -2.869 20.397 -6.928 1.00 0.00 C ATOM 2895 ND1 HIS B 90 -3.265 21.451 -7.738 1.00 0.00 N ATOM 2896 CD2 HIS B 90 -3.779 19.394 -7.144 1.00 0.00 C ATOM 2897 CE1 HIS B 90 -4.370 21.060 -8.398 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -4.726 19.814 -8.073 1.00 0.00 N ATOM 0 H HIS B 90 -0.113 17.942 -4.613 1.00 0.00 H new ATOM 0 HA HIS B 90 -1.515 18.353 -6.388 1.00 0.00 H new ATOM 0 HB2 HIS B 90 -1.957 20.617 -5.006 1.00 0.00 H new ATOM 0 HB3 HIS B 90 -1.046 21.335 -6.319 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -3.763 18.426 -6.666 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -4.904 21.678 -9.104 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -5.521 19.284 -8.429 1.00 0.00 H new ATOM 2906 N GLU B 91 1.419 19.291 -7.077 1.00 0.00 N ATOM 2907 CA GLU B 91 2.412 19.420 -8.183 1.00 0.00 C ATOM 2908 C GLU B 91 2.929 18.032 -8.565 1.00 0.00 C ATOM 2909 O GLU B 91 3.237 17.835 -9.730 1.00 0.00 O ATOM 2910 CB GLU B 91 3.584 20.294 -7.731 1.00 0.00 C ATOM 2911 CG GLU B 91 4.586 20.432 -8.881 1.00 0.00 C ATOM 2912 CD GLU B 91 5.537 21.595 -8.598 1.00 0.00 C ATOM 2913 OE1 GLU B 91 5.670 21.956 -7.441 1.00 0.00 O ATOM 2914 OE2 GLU B 91 6.116 22.105 -9.544 1.00 0.00 O ATOM 2915 OXT GLU B 91 3.007 17.188 -7.686 1.00 0.00 O ATOM 0 H GLU B 91 1.816 19.176 -6.144 1.00 0.00 H new ATOM 0 HA GLU B 91 1.932 19.883 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU B 91 3.224 21.277 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU B 91 4.069 19.850 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU B 91 5.151 19.507 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU B 91 4.057 20.602 -9.819 1.00 0.00 H new TER 2922 GLU B 91