USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 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 34 TYR OH : rot -27:sc= -0.526 USER MOD Set 1.2: B 78 ASN : amide:sc= -0.0937 K(o=-0.62,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0787 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.656 X(o=-0.66,f=-0.24) USER MOD Single : A 4 MET CE :methyl 162:sc= -0.154 (180deg=-0.694) USER MOD Single : A 5 SER OG : rot -79:sc= 0.252 USER MOD Single : A 7 GLN : amide:sc= -2.1! C(o=-2.1!,f=-1.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 23 SER OG : rot -160:sc= 0.912 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 27 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 28 GLN : amide:sc= 0.0978 K(o=0.098,f=-0.89) USER MOD Single : B 37 LYS NZ :NH3+ -130:sc= 0.632 (180deg=-0.0641) USER MOD Single : B 38 MET CE :methyl -161:sc= 0 (180deg=-0.319) USER MOD Single : B 39 LYS NZ :NH3+ 162:sc= 1.1 (180deg=0.836) USER MOD Single : B 42 LYS NZ :NH3+ 174:sc=-0.00364 (180deg=-0.0707) USER MOD Single : B 46 TYR OH : rot -144:sc= 0.522 USER MOD Single : B 47 LYS NZ :NH3+ -172:sc= 2.37 (180deg=2.09) USER MOD Single : B 54 ASN : amide:sc= -4.39! C(o=-4.4!,f=-4.1!) USER MOD Single : B 55 LYS NZ :NH3+ -169:sc= 2.26 (180deg=1.63) USER MOD Single : B 58 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.041) USER MOD Single : B 59 SER OG : rot 140:sc= -1.73! USER MOD Single : B 60 LYS NZ :NH3+ -147:sc= 1.25 (180deg=1.01) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -46:sc= 1.34 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -3.31! C(o=-3.3!,f=-11!) USER MOD Single : B 73 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.3!) USER MOD Single : B 76 TYR OH : rot -94:sc= 0.15 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -2.9! C(o=-4.5!,f=-2.9!) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 0.504 K(o=0.5,f=-3.4!) USER MOD Single : B 103 LYS NZ :NH3+ 173:sc= 0.897 (180deg=0.639) USER MOD Single : B 106 THR OG1 : rot 54:sc= 0.319 USER MOD Single : B 108 TYR OH : rot 30:sc= 0 USER MOD Single : B 110 TYR OH : rot -162:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.008 23.990 -0.754 1.00 0.00 N ATOM 2 CA GLY A 1 10.127 23.584 -1.634 1.00 0.00 C ATOM 3 C GLY A 1 9.646 22.865 -2.874 1.00 0.00 C ATOM 4 O GLY A 1 8.471 22.971 -3.236 1.00 0.00 O ATOM 0 H1 GLY A 1 9.052 25.016 -0.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.104 23.752 -1.210 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.081 23.488 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.696 24.467 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.806 22.935 -1.080 1.00 0.00 H new ATOM 10 N PRO A 2 10.539 22.135 -3.557 1.00 0.00 N ATOM 11 CA PRO A 2 10.189 21.361 -4.745 1.00 0.00 C ATOM 12 C PRO A 2 9.358 20.137 -4.389 1.00 0.00 C ATOM 13 O PRO A 2 9.614 19.478 -3.382 1.00 0.00 O ATOM 14 CB PRO A 2 11.545 20.928 -5.324 1.00 0.00 C ATOM 15 CG PRO A 2 12.576 21.686 -4.553 1.00 0.00 C ATOM 16 CD PRO A 2 11.960 22.002 -3.224 1.00 0.00 C ATOM 0 HA PRO A 2 9.588 21.941 -5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.690 19.853 -5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.607 21.155 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.483 21.094 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.860 22.599 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.134 21.209 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.364 22.920 -2.797 1.00 0.00 H new ATOM 24 N HIS A 3 8.378 19.825 -5.217 1.00 0.00 N ATOM 25 CA HIS A 3 7.489 18.706 -4.940 1.00 0.00 C ATOM 26 C HIS A 3 7.872 17.493 -5.789 1.00 0.00 C ATOM 27 O HIS A 3 7.047 16.929 -6.514 1.00 0.00 O ATOM 28 CB HIS A 3 6.013 19.101 -5.139 1.00 0.00 C ATOM 29 CG HIS A 3 5.599 19.398 -6.554 1.00 0.00 C ATOM 30 ND1 HIS A 3 4.522 18.785 -7.155 1.00 0.00 N ATOM 31 CD2 HIS A 3 6.099 20.257 -7.473 1.00 0.00 C ATOM 32 CE1 HIS A 3 4.379 19.250 -8.379 1.00 0.00 C ATOM 33 NE2 HIS A 3 5.323 20.144 -8.599 1.00 0.00 N ATOM 0 H HIS A 3 8.176 20.326 -6.082 1.00 0.00 H new ATOM 0 HA HIS A 3 7.605 18.428 -3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.386 18.294 -4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.806 19.980 -4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.950 20.909 -7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.617 18.950 -9.083 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.455 20.666 -9.465 1.00 0.00 H new ATOM 42 N MET A 4 9.140 17.099 -5.684 1.00 0.00 N ATOM 43 CA MET A 4 9.656 15.945 -6.411 1.00 0.00 C ATOM 44 C MET A 4 8.823 14.715 -6.096 1.00 0.00 C ATOM 45 O MET A 4 8.653 14.346 -4.934 1.00 0.00 O ATOM 46 CB MET A 4 11.117 15.688 -6.043 1.00 0.00 C ATOM 47 CG MET A 4 11.732 14.493 -6.760 1.00 0.00 C ATOM 48 SD MET A 4 11.952 14.766 -8.529 1.00 0.00 S ATOM 49 CE MET A 4 13.160 16.091 -8.521 1.00 0.00 C ATOM 0 H MET A 4 9.831 17.567 -5.098 1.00 0.00 H new ATOM 0 HA MET A 4 9.596 16.156 -7.479 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.702 16.578 -6.274 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.188 15.530 -4.967 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.699 14.265 -6.311 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.097 13.620 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.634 16.157 -9.500 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.664 17.034 -8.294 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.918 15.888 -7.764 1.00 0.00 H new ATOM 59 N SER A 5 8.308 14.089 -7.132 1.00 0.00 N ATOM 60 CA SER A 5 7.397 12.973 -6.969 1.00 0.00 C ATOM 61 C SER A 5 7.551 11.960 -8.097 1.00 0.00 C ATOM 62 O SER A 5 7.656 12.328 -9.269 1.00 0.00 O ATOM 63 CB SER A 5 5.962 13.495 -6.910 1.00 0.00 C ATOM 64 OG SER A 5 5.745 14.495 -7.897 1.00 0.00 O ATOM 0 H SER A 5 8.505 14.335 -8.102 1.00 0.00 H new ATOM 0 HA SER A 5 7.637 12.462 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.265 12.671 -7.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.760 13.905 -5.920 1.00 0.00 H new ATOM 0 HG SER A 5 6.115 15.347 -7.586 1.00 0.00 H new ATOM 70 N VAL A 6 7.583 10.691 -7.732 1.00 0.00 N ATOM 71 CA VAL A 6 7.671 9.607 -8.702 1.00 0.00 C ATOM 72 C VAL A 6 6.540 8.611 -8.486 1.00 0.00 C ATOM 73 O VAL A 6 6.158 8.334 -7.352 1.00 0.00 O ATOM 74 CB VAL A 6 9.025 8.871 -8.617 1.00 0.00 C ATOM 75 CG1 VAL A 6 10.149 9.773 -9.091 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.294 8.384 -7.200 1.00 0.00 C ATOM 0 H VAL A 6 7.549 10.381 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 6 7.586 10.052 -9.693 1.00 0.00 H new ATOM 0 HB VAL A 6 8.978 8.000 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.097 9.239 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.969 10.066 -10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.190 10.664 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.254 7.869 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.317 9.236 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.504 7.698 -6.895 1.00 0.00 H new ATOM 86 N GLN A 7 6.003 8.076 -9.569 1.00 0.00 N ATOM 87 CA GLN A 7 4.893 7.140 -9.479 1.00 0.00 C ATOM 88 C GLN A 7 5.422 5.717 -9.405 1.00 0.00 C ATOM 89 O GLN A 7 6.395 5.370 -10.079 1.00 0.00 O ATOM 90 CB GLN A 7 3.922 7.305 -10.664 1.00 0.00 C ATOM 91 CG GLN A 7 4.466 6.849 -12.015 1.00 0.00 C ATOM 92 CD GLN A 7 5.651 7.665 -12.498 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.489 8.684 -13.165 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.850 7.215 -12.168 1.00 0.00 N ATOM 0 H GLN A 7 6.316 8.272 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 7 4.333 7.356 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.012 6.745 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.640 8.355 -10.739 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.761 5.802 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.669 6.906 -12.757 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.940 6.364 -11.613 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.684 7.719 -12.469 1.00 0.00 H new ATOM 103 N ILE A 8 4.798 4.899 -8.574 1.00 0.00 N ATOM 104 CA ILE A 8 5.263 3.540 -8.378 1.00 0.00 C ATOM 105 C ILE A 8 4.271 2.558 -8.985 1.00 0.00 C ATOM 106 O ILE A 8 3.085 2.582 -8.656 1.00 0.00 O ATOM 107 CB ILE A 8 5.448 3.195 -6.885 1.00 0.00 C ATOM 108 CG1 ILE A 8 6.046 4.374 -6.108 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.336 1.965 -6.741 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.396 4.829 -6.616 1.00 0.00 C ATOM 0 H ILE A 8 3.974 5.152 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 8 6.232 3.462 -8.871 1.00 0.00 H new ATOM 0 HB ILE A 8 4.466 2.982 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.352 5.213 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.141 4.093 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.461 1.728 -5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.872 1.120 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.311 2.166 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.749 5.666 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.107 4.006 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.306 5.144 -7.656 1.00 0.00 H new ATOM 122 N PRO A 9 4.730 1.704 -9.900 1.00 0.00 N ATOM 123 CA PRO A 9 3.877 0.693 -10.512 1.00 0.00 C ATOM 124 C PRO A 9 3.522 -0.421 -9.535 1.00 0.00 C ATOM 125 O PRO A 9 4.397 -1.046 -8.932 1.00 0.00 O ATOM 126 CB PRO A 9 4.719 0.147 -11.661 1.00 0.00 C ATOM 127 CG PRO A 9 6.134 0.426 -11.276 1.00 0.00 C ATOM 128 CD PRO A 9 6.108 1.665 -10.420 1.00 0.00 C ATOM 0 HA PRO A 9 2.924 1.110 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.552 -0.921 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.464 0.634 -12.602 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.560 -0.415 -10.729 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.754 0.578 -12.160 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.839 1.609 -9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.342 2.557 -11.001 1.00 0.00 H new ATOM 136 N VAL A 10 2.234 -0.659 -9.381 1.00 0.00 N ATOM 137 CA VAL A 10 1.759 -1.711 -8.499 1.00 0.00 C ATOM 138 C VAL A 10 1.450 -2.965 -9.300 1.00 0.00 C ATOM 139 O VAL A 10 0.620 -2.950 -10.211 1.00 0.00 O ATOM 140 CB VAL A 10 0.519 -1.274 -7.677 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.501 -0.560 -8.549 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.121 -2.472 -6.985 1.00 0.00 C ATOM 0 H VAL A 10 1.496 -0.138 -9.855 1.00 0.00 H new ATOM 0 HA VAL A 10 2.556 -1.924 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 10 0.860 -0.573 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.357 -0.267 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.046 0.328 -8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.831 -1.228 -9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.989 -2.142 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.434 -3.200 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.602 -2.932 -6.312 1.00 0.00 H new ATOM 152 N VAL A 11 2.138 -4.040 -8.970 1.00 0.00 N ATOM 153 CA VAL A 11 1.966 -5.291 -9.676 1.00 0.00 C ATOM 154 C VAL A 11 0.900 -6.131 -8.996 1.00 0.00 C ATOM 155 O VAL A 11 1.040 -6.503 -7.830 1.00 0.00 O ATOM 156 CB VAL A 11 3.283 -6.093 -9.739 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.076 -7.400 -10.487 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.382 -5.267 -10.390 1.00 0.00 C ATOM 0 H VAL A 11 2.823 -4.071 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 11 1.659 -5.054 -10.695 1.00 0.00 H new ATOM 0 HB VAL A 11 3.592 -6.328 -8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.015 -7.952 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.322 -7.997 -9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.742 -7.189 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.303 -5.850 -10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.084 -4.998 -11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.549 -4.360 -9.809 1.00 0.00 H new ATOM 168 N GLU A 12 -0.178 -6.400 -9.706 1.00 0.00 N ATOM 169 CA GLU A 12 -1.219 -7.252 -9.177 1.00 0.00 C ATOM 170 C GLU A 12 -0.883 -8.707 -9.426 1.00 0.00 C ATOM 171 O GLU A 12 -0.851 -9.170 -10.565 1.00 0.00 O ATOM 172 CB GLU A 12 -2.578 -6.909 -9.772 1.00 0.00 C ATOM 173 CG GLU A 12 -3.086 -5.550 -9.339 1.00 0.00 C ATOM 174 CD GLU A 12 -4.559 -5.371 -9.614 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.915 -4.902 -10.712 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.369 -5.719 -8.731 1.00 0.00 O ATOM 0 H GLU A 12 -0.353 -6.042 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.277 -7.081 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.510 -6.936 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.300 -7.671 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.900 -5.418 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.525 -4.773 -9.859 1.00 0.00 H new ATOM 183 N VAL A 13 -0.609 -9.406 -8.348 1.00 0.00 N ATOM 184 CA VAL A 13 -0.259 -10.818 -8.405 1.00 0.00 C ATOM 185 C VAL A 13 -1.188 -11.636 -7.518 1.00 0.00 C ATOM 186 O VAL A 13 -2.147 -11.102 -6.959 1.00 0.00 O ATOM 187 CB VAL A 13 1.205 -11.056 -7.973 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.161 -10.681 -9.091 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.527 -10.267 -6.710 1.00 0.00 C ATOM 0 H VAL A 13 -0.621 -9.018 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.371 -11.138 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 13 1.328 -12.117 -7.757 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.187 -10.856 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.950 -11.290 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.034 -9.628 -9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.563 -10.448 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.384 -9.203 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.865 -10.585 -5.904 1.00 0.00 H new ATOM 199 N ASP A 14 -0.913 -12.925 -7.394 1.00 0.00 N ATOM 200 CA ASP A 14 -1.694 -13.781 -6.517 1.00 0.00 C ATOM 201 C ASP A 14 -1.018 -13.854 -5.159 1.00 0.00 C ATOM 202 O ASP A 14 -1.665 -14.068 -4.133 1.00 0.00 O ATOM 203 CB ASP A 14 -1.847 -15.180 -7.114 1.00 0.00 C ATOM 204 CG ASP A 14 -2.734 -16.071 -6.270 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.965 -15.890 -6.301 1.00 0.00 O ATOM 206 OD2 ASP A 14 -2.206 -16.960 -5.569 1.00 0.00 O ATOM 0 H ASP A 14 -0.157 -13.400 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.692 -13.358 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.265 -15.101 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.864 -15.640 -7.214 1.00 0.00 H new ATOM 211 N GLU A 15 0.296 -13.659 -5.173 1.00 0.00 N ATOM 212 CA GLU A 15 1.087 -13.590 -3.960 1.00 0.00 C ATOM 213 C GLU A 15 2.502 -13.143 -4.305 1.00 0.00 C ATOM 214 O GLU A 15 2.885 -13.128 -5.476 1.00 0.00 O ATOM 215 CB GLU A 15 1.106 -14.942 -3.250 1.00 0.00 C ATOM 216 CG GLU A 15 1.926 -16.010 -3.958 1.00 0.00 C ATOM 217 CD GLU A 15 1.793 -17.372 -3.309 1.00 0.00 C ATOM 218 OE1 GLU A 15 2.356 -17.576 -2.210 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.121 -18.246 -3.891 1.00 0.00 O ATOM 0 H GLU A 15 0.839 -13.545 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 15 0.638 -12.865 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.501 -14.805 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.081 -15.298 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.609 -16.075 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.975 -15.714 -3.962 1.00 0.00 H new ATOM 226 N LEU A 16 3.270 -12.780 -3.292 1.00 0.00 N ATOM 227 CA LEU A 16 4.621 -12.282 -3.497 1.00 0.00 C ATOM 228 C LEU A 16 5.546 -13.407 -3.941 1.00 0.00 C ATOM 229 O LEU A 16 5.401 -14.549 -3.500 1.00 0.00 O ATOM 230 CB LEU A 16 5.175 -11.650 -2.215 1.00 0.00 C ATOM 231 CG LEU A 16 4.417 -10.433 -1.672 1.00 0.00 C ATOM 232 CD1 LEU A 16 4.044 -9.482 -2.791 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.185 -10.850 -0.894 1.00 0.00 C ATOM 0 H LEU A 16 2.980 -12.821 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 16 4.576 -11.521 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.195 -12.414 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.208 -11.355 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 16 5.085 -9.911 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.507 -8.628 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.949 -9.136 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.407 -9.998 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.671 -9.963 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.516 -11.411 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.481 -11.476 -0.052 1.00 0.00 H new ATOM 245 N PRO A 17 6.494 -13.097 -4.837 1.00 0.00 N ATOM 246 CA PRO A 17 7.495 -14.056 -5.298 1.00 0.00 C ATOM 247 C PRO A 17 8.535 -14.367 -4.225 1.00 0.00 C ATOM 248 O PRO A 17 8.520 -13.774 -3.140 1.00 0.00 O ATOM 249 CB PRO A 17 8.148 -13.359 -6.492 1.00 0.00 C ATOM 250 CG PRO A 17 7.948 -11.906 -6.246 1.00 0.00 C ATOM 251 CD PRO A 17 6.656 -11.778 -5.484 1.00 0.00 C ATOM 0 HA PRO A 17 7.047 -15.017 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.208 -13.605 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.687 -13.668 -7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.778 -11.491 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.901 -11.356 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.704 -10.975 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.821 -11.553 -6.148 1.00 0.00 H new ATOM 259 N GLU A 18 9.413 -15.316 -4.528 1.00 0.00 N ATOM 260 CA GLU A 18 10.487 -15.704 -3.622 1.00 0.00 C ATOM 261 C GLU A 18 11.260 -14.485 -3.116 1.00 0.00 C ATOM 262 O GLU A 18 11.512 -13.533 -3.860 1.00 0.00 O ATOM 263 CB GLU A 18 11.442 -16.669 -4.327 1.00 0.00 C ATOM 264 CG GLU A 18 12.024 -16.103 -5.610 1.00 0.00 C ATOM 265 CD GLU A 18 13.038 -17.024 -6.250 1.00 0.00 C ATOM 266 OE1 GLU A 18 12.633 -18.034 -6.860 1.00 0.00 O ATOM 267 OE2 GLU A 18 14.249 -16.743 -6.142 1.00 0.00 O ATOM 0 H GLU A 18 9.401 -15.836 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 18 10.037 -16.199 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.256 -16.925 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.912 -17.594 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.216 -15.912 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.495 -15.143 -5.397 1.00 0.00 H new ATOM 274 N GLY A 19 11.608 -14.512 -1.842 1.00 0.00 N ATOM 275 CA GLY A 19 12.355 -13.422 -1.248 1.00 0.00 C ATOM 276 C GLY A 19 11.475 -12.492 -0.438 1.00 0.00 C ATOM 277 O GLY A 19 11.973 -11.617 0.273 1.00 0.00 O ATOM 0 H GLY A 19 11.386 -15.275 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.137 -13.828 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.851 -12.854 -2.035 1.00 0.00 H new ATOM 281 N TYR A 20 10.167 -12.677 -0.541 1.00 0.00 N ATOM 282 CA TYR A 20 9.222 -11.833 0.173 1.00 0.00 C ATOM 283 C TYR A 20 8.651 -12.530 1.401 1.00 0.00 C ATOM 284 O TYR A 20 8.806 -13.739 1.573 1.00 0.00 O ATOM 285 CB TYR A 20 8.092 -11.406 -0.752 1.00 0.00 C ATOM 286 CG TYR A 20 8.483 -10.318 -1.720 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.457 -8.989 -1.330 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.876 -10.613 -3.018 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.808 -7.982 -2.202 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.232 -9.610 -3.896 1.00 0.00 C ATOM 291 CZ TYR A 20 9.195 -8.297 -3.485 1.00 0.00 C ATOM 292 OH TYR A 20 9.557 -7.295 -4.352 1.00 0.00 O ATOM 0 H TYR A 20 9.737 -13.404 -1.112 1.00 0.00 H new ATOM 0 HA TYR A 20 9.766 -10.952 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.746 -12.274 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.252 -11.060 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.156 -8.738 -0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.904 -11.642 -3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.780 -6.951 -1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.539 -9.854 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 20 9.804 -7.684 -5.217 1.00 0.00 H new ATOM 302 N ASP A 21 7.987 -11.751 2.246 1.00 0.00 N ATOM 303 CA ASP A 21 7.412 -12.261 3.484 1.00 0.00 C ATOM 304 C ASP A 21 5.940 -11.887 3.584 1.00 0.00 C ATOM 305 O ASP A 21 5.595 -10.756 3.949 1.00 0.00 O ATOM 306 CB ASP A 21 8.179 -11.702 4.686 1.00 0.00 C ATOM 307 CG ASP A 21 7.637 -12.197 6.014 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.485 -13.423 6.182 1.00 0.00 O ATOM 309 OD2 ASP A 21 7.373 -11.361 6.901 1.00 0.00 O ATOM 0 H ASP A 21 7.833 -10.754 2.094 1.00 0.00 H new ATOM 0 HA ASP A 21 7.493 -13.348 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.230 -11.980 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.135 -10.613 4.664 1.00 0.00 H new ATOM 314 N ARG A 22 5.074 -12.827 3.239 1.00 0.00 N ATOM 315 CA ARG A 22 3.637 -12.604 3.307 1.00 0.00 C ATOM 316 C ARG A 22 3.087 -13.094 4.637 1.00 0.00 C ATOM 317 O ARG A 22 3.492 -14.140 5.144 1.00 0.00 O ATOM 318 CB ARG A 22 2.916 -13.296 2.142 1.00 0.00 C ATOM 319 CG ARG A 22 1.400 -13.192 2.233 1.00 0.00 C ATOM 320 CD ARG A 22 0.721 -13.352 0.883 1.00 0.00 C ATOM 321 NE ARG A 22 0.973 -14.657 0.275 1.00 0.00 N ATOM 322 CZ ARG A 22 0.064 -15.633 0.188 1.00 0.00 C ATOM 323 NH1 ARG A 22 -1.166 -15.452 0.656 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.379 -16.785 -0.392 1.00 0.00 N ATOM 0 H ARG A 22 5.341 -13.754 2.908 1.00 0.00 H new ATOM 0 HA ARG A 22 3.457 -11.532 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.249 -12.855 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.202 -14.348 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.027 -13.956 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.131 -12.225 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.353 -13.213 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.071 -12.569 0.210 1.00 0.00 H new ATOM 0 HE ARG A 22 1.902 -14.834 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.423 -14.563 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.854 -16.202 0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.315 -16.926 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.315 -17.529 -0.458 1.00 0.00 H new ATOM 338 N SER A 23 2.160 -12.333 5.197 1.00 0.00 N ATOM 339 CA SER A 23 1.597 -12.647 6.492 1.00 0.00 C ATOM 340 C SER A 23 0.126 -12.251 6.533 1.00 0.00 C ATOM 341 O SER A 23 -0.182 -11.129 6.988 1.00 0.00 O ATOM 342 CB SER A 23 2.373 -11.921 7.591 1.00 0.00 C ATOM 343 OG SER A 23 3.758 -12.234 7.532 1.00 0.00 O ATOM 344 OXT SER A 23 -0.714 -13.054 6.087 1.00 0.00 O ATOM 0 H SER A 23 1.782 -11.488 4.768 1.00 0.00 H new ATOM 0 HA SER A 23 1.674 -13.721 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.236 -10.845 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.975 -12.200 8.567 1.00 0.00 H new ATOM 0 HG SER A 23 4.176 -12.033 8.395 1.00 0.00 H new TER 350 SER A 23 ATOM 351 N PRO B 24 -18.730 15.007 -1.590 1.00 0.00 N ATOM 352 CA PRO B 24 -17.861 15.917 -0.828 1.00 0.00 C ATOM 353 C PRO B 24 -18.064 15.748 0.675 1.00 0.00 C ATOM 354 O PRO B 24 -17.184 15.248 1.374 1.00 0.00 O ATOM 355 CB PRO B 24 -18.160 17.344 -1.260 1.00 0.00 C ATOM 356 CG PRO B 24 -19.095 17.188 -2.416 1.00 0.00 C ATOM 357 CD PRO B 24 -19.044 15.729 -2.830 1.00 0.00 C ATOM 0 HA PRO B 24 -16.817 15.680 -1.035 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -18.616 17.917 -0.453 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -17.251 17.871 -1.551 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -20.108 17.474 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -18.799 17.834 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -19.995 15.402 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -18.284 15.559 -3.592 1.00 0.00 H new ATOM 367 N HIS B 25 -19.220 16.159 1.177 1.00 0.00 N ATOM 368 CA HIS B 25 -19.527 16.000 2.592 1.00 0.00 C ATOM 369 C HIS B 25 -20.806 15.203 2.773 1.00 0.00 C ATOM 370 O HIS B 25 -21.846 15.748 3.150 1.00 0.00 O ATOM 371 CB HIS B 25 -19.653 17.358 3.294 1.00 0.00 C ATOM 372 CG HIS B 25 -18.351 18.077 3.469 1.00 0.00 C ATOM 373 ND1 HIS B 25 -17.571 17.950 4.598 1.00 0.00 N ATOM 374 CD2 HIS B 25 -17.698 18.942 2.659 1.00 0.00 C ATOM 375 CE1 HIS B 25 -16.498 18.708 4.475 1.00 0.00 C ATOM 376 NE2 HIS B 25 -16.550 19.319 3.307 1.00 0.00 N ATOM 0 H HIS B 25 -19.957 16.603 0.629 1.00 0.00 H new ATOM 0 HA HIS B 25 -18.700 15.456 3.049 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -20.331 17.990 2.721 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -20.108 17.208 4.273 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -18.021 19.274 1.683 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -15.710 18.811 5.207 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -15.850 19.967 2.945 1.00 0.00 H new ATOM 385 N GLU B 26 -20.731 13.913 2.491 1.00 0.00 N ATOM 386 CA GLU B 26 -21.876 13.033 2.637 1.00 0.00 C ATOM 387 C GLU B 26 -21.431 11.695 3.207 1.00 0.00 C ATOM 388 O GLU B 26 -20.311 11.245 2.954 1.00 0.00 O ATOM 389 CB GLU B 26 -22.559 12.825 1.282 1.00 0.00 C ATOM 390 CG GLU B 26 -23.907 12.127 1.381 1.00 0.00 C ATOM 391 CD GLU B 26 -24.870 12.869 2.283 1.00 0.00 C ATOM 392 OE1 GLU B 26 -24.840 12.640 3.510 1.00 0.00 O ATOM 393 OE2 GLU B 26 -25.660 13.689 1.771 1.00 0.00 O ATOM 0 H GLU B 26 -19.885 13.451 2.158 1.00 0.00 H new ATOM 0 HA GLU B 26 -22.589 13.492 3.322 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -22.695 13.793 0.801 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -21.902 12.239 0.639 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -24.341 12.036 0.385 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -23.763 11.115 1.760 1.00 0.00 H new ATOM 400 N GLN B 27 -22.303 11.073 3.988 1.00 0.00 N ATOM 401 CA GLN B 27 -22.022 9.762 4.550 1.00 0.00 C ATOM 402 C GLN B 27 -22.231 8.696 3.488 1.00 0.00 C ATOM 403 O GLN B 27 -23.110 8.827 2.634 1.00 0.00 O ATOM 404 CB GLN B 27 -22.920 9.484 5.758 1.00 0.00 C ATOM 405 CG GLN B 27 -24.405 9.524 5.436 1.00 0.00 C ATOM 406 CD GLN B 27 -25.274 9.225 6.639 1.00 0.00 C ATOM 407 OE1 GLN B 27 -24.884 8.475 7.534 1.00 0.00 O ATOM 408 NE2 GLN B 27 -26.458 9.809 6.669 1.00 0.00 N ATOM 0 H GLN B 27 -23.212 11.457 4.246 1.00 0.00 H new ATOM 0 HA GLN B 27 -20.985 9.741 4.885 1.00 0.00 H new ATOM 0 HB2 GLN B 27 -22.672 8.504 6.167 1.00 0.00 H new ATOM 0 HB3 GLN B 27 -22.706 10.217 6.536 1.00 0.00 H new ATOM 0 HG2 GLN B 27 -24.661 10.508 5.044 1.00 0.00 H new ATOM 0 HG3 GLN B 27 -24.621 8.802 4.649 1.00 0.00 H new ATOM 0 HE21 GLN B 27 -26.743 10.424 5.907 1.00 0.00 H new ATOM 0 HE22 GLN B 27 -27.088 9.645 7.455 1.00 0.00 H new ATOM 417 N GLN B 28 -21.427 7.652 3.528 1.00 0.00 N ATOM 418 CA GLN B 28 -21.517 6.602 2.533 1.00 0.00 C ATOM 419 C GLN B 28 -21.292 5.234 3.133 1.00 0.00 C ATOM 420 O GLN B 28 -20.759 5.098 4.233 1.00 0.00 O ATOM 421 CB GLN B 28 -20.509 6.836 1.417 1.00 0.00 C ATOM 422 CG GLN B 28 -21.142 7.413 0.171 1.00 0.00 C ATOM 423 CD GLN B 28 -22.077 6.427 -0.494 1.00 0.00 C ATOM 424 OE1 GLN B 28 -23.269 6.381 -0.196 1.00 0.00 O ATOM 425 NE2 GLN B 28 -21.540 5.624 -1.392 1.00 0.00 N ATOM 0 H GLN B 28 -20.707 7.508 4.236 1.00 0.00 H new ATOM 0 HA GLN B 28 -22.528 6.634 2.127 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -19.731 7.513 1.771 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -20.022 5.893 1.169 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -21.692 8.318 0.429 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -20.361 7.704 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -20.546 5.695 -1.610 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -22.119 4.932 -1.868 1.00 0.00 H new ATOM 434 N GLU B 29 -21.709 4.229 2.389 1.00 0.00 N ATOM 435 CA GLU B 29 -21.531 2.844 2.794 1.00 0.00 C ATOM 436 C GLU B 29 -20.697 2.104 1.761 1.00 0.00 C ATOM 437 O GLU B 29 -20.182 1.018 2.023 1.00 0.00 O ATOM 438 CB GLU B 29 -22.883 2.156 2.976 1.00 0.00 C ATOM 439 CG GLU B 29 -23.763 2.190 1.739 1.00 0.00 C ATOM 440 CD GLU B 29 -25.034 1.390 1.920 1.00 0.00 C ATOM 441 OE1 GLU B 29 -25.965 1.887 2.585 1.00 0.00 O ATOM 442 OE2 GLU B 29 -25.102 0.256 1.409 1.00 0.00 O ATOM 0 H GLU B 29 -22.179 4.345 1.491 1.00 0.00 H new ATOM 0 HA GLU B 29 -21.008 2.826 3.750 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -22.715 1.118 3.262 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -23.414 2.632 3.800 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -24.017 3.224 1.504 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -23.206 1.797 0.888 1.00 0.00 H new ATOM 449 N ASP B 30 -20.565 2.711 0.586 1.00 0.00 N ATOM 450 CA ASP B 30 -19.765 2.140 -0.491 1.00 0.00 C ATOM 451 C ASP B 30 -18.310 2.551 -0.334 1.00 0.00 C ATOM 452 O ASP B 30 -17.444 2.139 -1.109 1.00 0.00 O ATOM 453 CB ASP B 30 -20.274 2.597 -1.860 1.00 0.00 C ATOM 454 CG ASP B 30 -21.729 2.252 -2.100 1.00 0.00 C ATOM 455 OD1 ASP B 30 -22.027 1.092 -2.446 1.00 0.00 O ATOM 456 OD2 ASP B 30 -22.587 3.147 -1.953 1.00 0.00 O ATOM 0 H ASP B 30 -21.004 3.602 0.355 1.00 0.00 H new ATOM 0 HA ASP B 30 -19.851 1.055 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -20.144 3.676 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -19.665 2.138 -2.639 1.00 0.00 H new ATOM 461 N VAL B 31 -18.060 3.387 0.665 1.00 0.00 N ATOM 462 CA VAL B 31 -16.719 3.837 0.977 1.00 0.00 C ATOM 463 C VAL B 31 -15.867 2.659 1.444 1.00 0.00 C ATOM 464 O VAL B 31 -16.172 2.004 2.442 1.00 0.00 O ATOM 465 CB VAL B 31 -16.732 4.967 2.041 1.00 0.00 C ATOM 466 CG1 VAL B 31 -17.510 4.555 3.284 1.00 0.00 C ATOM 467 CG2 VAL B 31 -15.314 5.383 2.409 1.00 0.00 C ATOM 0 H VAL B 31 -18.781 3.768 1.277 1.00 0.00 H new ATOM 0 HA VAL B 31 -16.279 4.251 0.070 1.00 0.00 H new ATOM 0 HB VAL B 31 -17.239 5.825 1.601 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.498 5.370 4.007 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -18.540 4.328 3.010 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -17.049 3.671 3.725 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -15.350 6.176 3.156 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -14.777 4.526 2.815 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -14.799 5.746 1.520 1.00 0.00 H new ATOM 477 N PRO B 32 -14.808 2.354 0.694 1.00 0.00 N ATOM 478 CA PRO B 32 -13.937 1.227 0.995 1.00 0.00 C ATOM 479 C PRO B 32 -13.183 1.420 2.307 1.00 0.00 C ATOM 480 O PRO B 32 -12.578 2.466 2.540 1.00 0.00 O ATOM 481 CB PRO B 32 -12.967 1.185 -0.192 1.00 0.00 C ATOM 482 CG PRO B 32 -13.015 2.548 -0.792 1.00 0.00 C ATOM 483 CD PRO B 32 -14.386 3.090 -0.507 1.00 0.00 C ATOM 0 HA PRO B 32 -14.497 0.301 1.123 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -11.958 0.935 0.134 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -13.265 0.427 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -12.247 3.189 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -12.829 2.506 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -14.363 4.165 -0.330 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -15.066 2.919 -1.341 1.00 0.00 H new ATOM 491 N GLU B 33 -13.232 0.410 3.159 1.00 0.00 N ATOM 492 CA GLU B 33 -12.528 0.446 4.423 1.00 0.00 C ATOM 493 C GLU B 33 -11.205 -0.280 4.288 1.00 0.00 C ATOM 494 O GLU B 33 -11.149 -1.509 4.282 1.00 0.00 O ATOM 495 CB GLU B 33 -13.361 -0.191 5.539 1.00 0.00 C ATOM 496 CG GLU B 33 -12.655 -0.192 6.887 1.00 0.00 C ATOM 497 CD GLU B 33 -13.446 -0.899 7.966 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.512 -0.385 8.360 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.002 -1.974 8.430 1.00 0.00 O ATOM 0 H GLU B 33 -13.757 -0.449 2.994 1.00 0.00 H new ATOM 0 HA GLU B 33 -12.350 1.488 4.688 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.305 0.346 5.631 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.604 -1.217 5.262 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.683 -0.674 6.782 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.469 0.837 7.195 1.00 0.00 H new ATOM 506 N TYR B 34 -10.154 0.483 4.120 1.00 0.00 N ATOM 507 CA TYR B 34 -8.822 -0.076 4.082 1.00 0.00 C ATOM 508 C TYR B 34 -8.275 -0.212 5.491 1.00 0.00 C ATOM 509 O TYR B 34 -8.567 0.607 6.365 1.00 0.00 O ATOM 510 CB TYR B 34 -7.891 0.795 3.249 1.00 0.00 C ATOM 511 CG TYR B 34 -8.218 0.810 1.773 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.930 -0.284 0.970 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.802 1.923 1.181 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.211 -0.272 -0.381 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.089 1.942 -0.170 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.792 0.844 -0.947 1.00 0.00 C ATOM 517 OH TYR B 34 -9.072 0.863 -2.295 1.00 0.00 O ATOM 0 H TYR B 34 -10.193 1.496 4.007 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.879 -1.061 3.620 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.929 1.816 3.629 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.868 0.444 3.380 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.478 -1.161 1.410 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -9.035 2.786 1.786 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.977 -1.131 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.544 2.814 -0.615 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.455 0.264 -2.766 1.00 0.00 H new ATOM 527 N GLU B 35 -7.503 -1.254 5.709 1.00 0.00 N ATOM 528 CA GLU B 35 -6.883 -1.485 6.991 1.00 0.00 C ATOM 529 C GLU B 35 -5.381 -1.588 6.795 1.00 0.00 C ATOM 530 O GLU B 35 -4.893 -2.517 6.151 1.00 0.00 O ATOM 531 CB GLU B 35 -7.446 -2.756 7.624 1.00 0.00 C ATOM 532 CG GLU B 35 -7.116 -2.906 9.097 1.00 0.00 C ATOM 533 CD GLU B 35 -7.845 -4.070 9.731 1.00 0.00 C ATOM 534 OE1 GLU B 35 -9.017 -3.898 10.122 1.00 0.00 O ATOM 535 OE2 GLU B 35 -7.257 -5.165 9.833 1.00 0.00 O ATOM 0 H GLU B 35 -7.289 -1.961 5.005 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.097 -0.657 7.666 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.529 -2.762 7.502 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.059 -3.621 7.085 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.041 -3.045 9.214 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.377 -1.987 9.621 1.00 0.00 H new ATOM 542 N VAL B 36 -4.665 -0.612 7.322 1.00 0.00 N ATOM 543 CA VAL B 36 -3.234 -0.504 7.110 1.00 0.00 C ATOM 544 C VAL B 36 -2.445 -1.020 8.311 1.00 0.00 C ATOM 545 O VAL B 36 -2.724 -0.670 9.461 1.00 0.00 O ATOM 546 CB VAL B 36 -2.832 0.956 6.784 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.484 1.934 7.750 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.319 1.121 6.796 1.00 0.00 C ATOM 0 H VAL B 36 -5.058 0.126 7.907 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.985 -1.132 6.254 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.192 1.181 5.780 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.183 2.951 7.497 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.568 1.848 7.679 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.168 1.705 8.768 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.064 2.155 6.564 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -0.933 0.864 7.782 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.875 0.462 6.050 1.00 0.00 H new ATOM 558 N LYS B 37 -1.465 -1.865 8.028 1.00 0.00 N ATOM 559 CA LYS B 37 -0.597 -2.420 9.046 1.00 0.00 C ATOM 560 C LYS B 37 0.831 -2.025 8.711 1.00 0.00 C ATOM 561 O LYS B 37 1.163 -1.845 7.540 1.00 0.00 O ATOM 562 CB LYS B 37 -0.710 -3.955 9.115 1.00 0.00 C ATOM 563 CG LYS B 37 -2.122 -4.494 9.350 1.00 0.00 C ATOM 564 CD LYS B 37 -2.975 -4.439 8.089 1.00 0.00 C ATOM 565 CE LYS B 37 -4.335 -5.093 8.287 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.238 -6.568 8.430 1.00 0.00 N ATOM 0 H LYS B 37 -1.252 -2.183 7.083 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.893 -2.029 10.019 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.329 -4.374 8.184 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.063 -4.315 9.915 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.062 -5.524 9.702 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.604 -3.915 10.138 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.113 -3.400 7.791 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.449 -4.937 7.274 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.810 -4.675 9.174 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -4.977 -4.854 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.913 -7.025 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.272 -6.877 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.461 -6.837 9.409 1.00 0.00 H new ATOM 580 N MET B 38 1.667 -1.885 9.718 1.00 0.00 N ATOM 581 CA MET B 38 3.034 -1.436 9.507 1.00 0.00 C ATOM 582 C MET B 38 3.994 -2.285 10.321 1.00 0.00 C ATOM 583 O MET B 38 3.757 -2.534 11.503 1.00 0.00 O ATOM 584 CB MET B 38 3.165 0.024 9.901 1.00 0.00 C ATOM 585 CG MET B 38 4.093 0.792 8.993 1.00 0.00 C ATOM 586 SD MET B 38 3.850 2.573 9.078 1.00 0.00 S ATOM 587 CE MET B 38 4.575 3.032 7.510 1.00 0.00 C ATOM 0 H MET B 38 1.428 -2.074 10.691 1.00 0.00 H new ATOM 0 HA MET B 38 3.283 -1.541 8.451 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.180 0.490 9.885 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.531 0.088 10.926 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.125 0.559 9.257 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.944 0.460 7.966 1.00 0.00 H new ATOM 0 HE1 MET B 38 4.825 4.093 7.521 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.480 2.448 7.343 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.863 2.836 6.708 1.00 0.00 H new ATOM 597 N LYS B 39 5.083 -2.710 9.701 1.00 0.00 N ATOM 598 CA LYS B 39 5.986 -3.662 10.337 1.00 0.00 C ATOM 599 C LYS B 39 7.434 -3.338 9.991 1.00 0.00 C ATOM 600 O LYS B 39 7.764 -3.106 8.827 1.00 0.00 O ATOM 601 CB LYS B 39 5.624 -5.088 9.889 1.00 0.00 C ATOM 602 CG LYS B 39 6.005 -6.183 10.882 1.00 0.00 C ATOM 603 CD LYS B 39 7.495 -6.473 10.884 1.00 0.00 C ATOM 604 CE LYS B 39 7.865 -7.469 11.970 1.00 0.00 C ATOM 605 NZ LYS B 39 9.307 -7.826 11.927 1.00 0.00 N ATOM 0 H LYS B 39 5.364 -2.415 8.766 1.00 0.00 H new ATOM 0 HA LYS B 39 5.877 -3.592 11.419 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.550 -5.136 9.709 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.116 -5.292 8.938 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.695 -5.885 11.883 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.461 -7.095 10.638 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.792 -6.866 9.912 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.047 -5.546 11.035 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.624 -7.048 12.946 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.264 -8.371 11.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 9.587 -8.249 12.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 9.473 -8.509 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 9.872 -6.970 11.756 1.00 0.00 H new ATOM 619 N ARG B 40 8.289 -3.319 11.007 1.00 0.00 N ATOM 620 CA ARG B 40 9.703 -3.019 10.813 1.00 0.00 C ATOM 621 C ARG B 40 10.516 -4.296 10.665 1.00 0.00 C ATOM 622 O ARG B 40 10.359 -5.244 11.436 1.00 0.00 O ATOM 623 CB ARG B 40 10.265 -2.192 11.976 1.00 0.00 C ATOM 624 CG ARG B 40 9.873 -0.722 11.947 1.00 0.00 C ATOM 625 CD ARG B 40 8.394 -0.529 12.218 1.00 0.00 C ATOM 626 NE ARG B 40 8.017 -1.009 13.548 1.00 0.00 N ATOM 627 CZ ARG B 40 6.780 -0.961 14.044 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.795 -0.406 13.347 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.538 -1.451 15.251 1.00 0.00 N ATOM 0 H ARG B 40 8.027 -3.508 11.975 1.00 0.00 H new ATOM 0 HA ARG B 40 9.782 -2.435 9.896 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.924 -2.628 12.915 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.352 -2.266 11.967 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.453 -0.176 12.691 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.123 -0.298 10.974 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.143 0.528 12.129 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.814 -1.059 11.463 1.00 0.00 H new ATOM 0 HE ARG B 40 8.750 -1.407 14.135 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.982 -0.012 12.425 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.852 -0.374 13.734 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.296 -1.862 15.796 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.594 -1.417 15.635 1.00 0.00 H new ATOM 643 N PHE B 41 11.372 -4.308 9.663 1.00 0.00 N ATOM 644 CA PHE B 41 12.274 -5.428 9.432 1.00 0.00 C ATOM 645 C PHE B 41 13.707 -5.004 9.697 1.00 0.00 C ATOM 646 O PHE B 41 14.111 -3.891 9.355 1.00 0.00 O ATOM 647 CB PHE B 41 12.162 -5.951 7.997 1.00 0.00 C ATOM 648 CG PHE B 41 10.915 -6.740 7.716 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.664 -6.150 7.780 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.000 -8.081 7.380 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.525 -6.882 7.517 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.863 -8.818 7.115 1.00 0.00 C ATOM 653 CZ PHE B 41 8.624 -8.217 7.183 1.00 0.00 C ATOM 0 H PHE B 41 11.465 -3.549 8.988 1.00 0.00 H new ATOM 0 HA PHE B 41 11.989 -6.228 10.115 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.203 -5.105 7.311 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.028 -6.577 7.783 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.579 -5.105 8.039 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.968 -8.556 7.325 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.555 -6.410 7.573 1.00 0.00 H new ATOM 0 HE2 PHE B 41 9.944 -9.863 6.855 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.733 -8.790 6.975 1.00 0.00 H new ATOM 663 N LYS B 42 14.472 -5.887 10.310 1.00 0.00 N ATOM 664 CA LYS B 42 15.876 -5.625 10.566 1.00 0.00 C ATOM 665 C LYS B 42 16.743 -6.649 9.848 1.00 0.00 C ATOM 666 O LYS B 42 16.592 -7.858 10.048 1.00 0.00 O ATOM 667 CB LYS B 42 16.159 -5.619 12.073 1.00 0.00 C ATOM 668 CG LYS B 42 15.588 -6.815 12.820 1.00 0.00 C ATOM 669 CD LYS B 42 15.927 -6.757 14.300 1.00 0.00 C ATOM 670 CE LYS B 42 15.299 -7.909 15.071 1.00 0.00 C ATOM 671 NZ LYS B 42 15.817 -9.234 14.634 1.00 0.00 N ATOM 0 H LYS B 42 14.144 -6.794 10.641 1.00 0.00 H new ATOM 0 HA LYS B 42 16.124 -4.637 10.177 1.00 0.00 H new ATOM 0 HB2 LYS B 42 17.237 -5.589 12.229 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.749 -4.706 12.505 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.506 -6.842 12.694 1.00 0.00 H new ATOM 0 HG3 LYS B 42 15.982 -7.736 12.391 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.009 -6.783 14.426 1.00 0.00 H new ATOM 0 HD3 LYS B 42 15.581 -5.811 14.715 1.00 0.00 H new ATOM 0 HE2 LYS B 42 15.494 -7.779 16.136 1.00 0.00 H new ATOM 0 HE3 LYS B 42 14.217 -7.884 14.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 15.437 -9.977 15.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 15.521 -9.416 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 16.856 -9.236 14.688 1.00 0.00 H new ATOM 685 N GLY B 43 17.627 -6.161 8.991 1.00 0.00 N ATOM 686 CA GLY B 43 18.498 -7.038 8.236 1.00 0.00 C ATOM 687 C GLY B 43 17.757 -7.817 7.166 1.00 0.00 C ATOM 688 O GLY B 43 17.934 -9.028 7.042 1.00 0.00 O ATOM 0 H GLY B 43 17.757 -5.167 8.804 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.286 -6.447 7.770 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.984 -7.736 8.918 1.00 0.00 H new ATOM 692 N ALA B 44 16.918 -7.129 6.404 1.00 0.00 N ATOM 693 CA ALA B 44 16.180 -7.761 5.323 1.00 0.00 C ATOM 694 C ALA B 44 16.292 -6.928 4.054 1.00 0.00 C ATOM 695 O ALA B 44 16.800 -5.806 4.086 1.00 0.00 O ATOM 696 CB ALA B 44 14.722 -7.945 5.717 1.00 0.00 C ATOM 0 H ALA B 44 16.732 -6.132 6.516 1.00 0.00 H new ATOM 0 HA ALA B 44 16.610 -8.744 5.130 1.00 0.00 H new ATOM 0 HB1 ALA B 44 14.181 -8.419 4.898 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.662 -8.575 6.605 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.277 -6.973 5.931 1.00 0.00 H new ATOM 702 N ALA B 45 15.822 -7.480 2.941 1.00 0.00 N ATOM 703 CA ALA B 45 15.833 -6.773 1.664 1.00 0.00 C ATOM 704 C ALA B 45 14.856 -5.605 1.685 1.00 0.00 C ATOM 705 O ALA B 45 14.891 -4.732 0.820 1.00 0.00 O ATOM 706 CB ALA B 45 15.489 -7.727 0.534 1.00 0.00 C ATOM 0 H ALA B 45 15.427 -8.419 2.897 1.00 0.00 H new ATOM 0 HA ALA B 45 16.835 -6.377 1.499 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.500 -7.188 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA B 45 16.222 -8.533 0.502 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.497 -8.146 0.701 1.00 0.00 H new ATOM 712 N TYR B 46 13.988 -5.612 2.679 1.00 0.00 N ATOM 713 CA TYR B 46 13.033 -4.546 2.898 1.00 0.00 C ATOM 714 C TYR B 46 13.033 -4.202 4.376 1.00 0.00 C ATOM 715 O TYR B 46 13.097 -5.089 5.224 1.00 0.00 O ATOM 716 CB TYR B 46 11.633 -4.957 2.417 1.00 0.00 C ATOM 717 CG TYR B 46 11.384 -6.447 2.481 1.00 0.00 C ATOM 718 CD1 TYR B 46 11.247 -7.101 3.697 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.313 -7.202 1.318 1.00 0.00 C ATOM 720 CE1 TYR B 46 11.043 -8.466 3.752 1.00 0.00 C ATOM 721 CE2 TYR B 46 11.113 -8.567 1.366 1.00 0.00 C ATOM 722 CZ TYR B 46 10.979 -9.194 2.584 1.00 0.00 C ATOM 723 OH TYR B 46 10.787 -10.555 2.635 1.00 0.00 O ATOM 0 H TYR B 46 13.927 -6.366 3.363 1.00 0.00 H new ATOM 0 HA TYR B 46 13.318 -3.666 2.321 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.885 -4.446 3.023 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.497 -4.618 1.390 1.00 0.00 H new ATOM 0 HD1 TYR B 46 11.301 -6.534 4.615 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.416 -6.713 0.360 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.934 -8.960 4.706 1.00 0.00 H new ATOM 0 HE2 TYR B 46 11.062 -9.140 0.452 1.00 0.00 H new ATOM 0 HH TYR B 46 11.302 -10.985 1.921 1.00 0.00 H new ATOM 733 N LYS B 47 12.998 -2.922 4.679 1.00 0.00 N ATOM 734 CA LYS B 47 13.124 -2.457 6.048 1.00 0.00 C ATOM 735 C LYS B 47 11.749 -2.219 6.639 1.00 0.00 C ATOM 736 O LYS B 47 11.568 -2.231 7.854 1.00 0.00 O ATOM 737 CB LYS B 47 13.941 -1.159 6.116 1.00 0.00 C ATOM 738 CG LYS B 47 15.398 -1.292 5.677 1.00 0.00 C ATOM 739 CD LYS B 47 15.537 -1.513 4.177 1.00 0.00 C ATOM 740 CE LYS B 47 15.062 -0.310 3.377 1.00 0.00 C ATOM 741 NZ LYS B 47 14.994 -0.616 1.927 1.00 0.00 N ATOM 0 H LYS B 47 12.882 -2.178 3.991 1.00 0.00 H new ATOM 0 HA LYS B 47 13.644 -3.225 6.621 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.456 -0.408 5.492 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.918 -0.786 7.140 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.943 -0.392 5.960 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.860 -2.125 6.208 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.580 -1.720 3.936 1.00 0.00 H new ATOM 0 HD3 LYS B 47 14.962 -2.392 3.885 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.079 -0.001 3.732 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.739 0.529 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.799 0.257 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.901 -1.016 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.234 -1.304 1.753 1.00 0.00 H new ATOM 755 N LEU B 48 10.785 -1.997 5.771 1.00 0.00 N ATOM 756 CA LEU B 48 9.438 -1.691 6.206 1.00 0.00 C ATOM 757 C LEU B 48 8.421 -2.449 5.362 1.00 0.00 C ATOM 758 O LEU B 48 8.530 -2.498 4.137 1.00 0.00 O ATOM 759 CB LEU B 48 9.198 -0.179 6.104 1.00 0.00 C ATOM 760 CG LEU B 48 8.424 0.459 7.265 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.043 -0.142 7.402 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.180 0.305 8.571 1.00 0.00 C ATOM 0 H LEU B 48 10.909 -2.023 4.759 1.00 0.00 H new ATOM 0 HA LEU B 48 9.318 -2.003 7.244 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.165 0.318 6.022 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.657 0.021 5.179 1.00 0.00 H new ATOM 0 HG LEU B 48 8.320 1.520 7.039 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.521 0.332 8.233 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.482 0.021 6.481 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.129 -1.212 7.590 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.610 0.766 9.378 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.323 -0.754 8.786 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.151 0.793 8.489 1.00 0.00 H new ATOM 774 N ARG B 49 7.452 -3.062 6.025 1.00 0.00 N ATOM 775 CA ARG B 49 6.358 -3.724 5.336 1.00 0.00 C ATOM 776 C ARG B 49 5.040 -3.079 5.733 1.00 0.00 C ATOM 777 O ARG B 49 4.705 -3.010 6.915 1.00 0.00 O ATOM 778 CB ARG B 49 6.323 -5.216 5.669 1.00 0.00 C ATOM 779 CG ARG B 49 5.320 -5.995 4.834 1.00 0.00 C ATOM 780 CD ARG B 49 5.250 -7.455 5.248 1.00 0.00 C ATOM 781 NE ARG B 49 4.653 -7.636 6.572 1.00 0.00 N ATOM 782 CZ ARG B 49 4.512 -8.820 7.165 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.919 -9.924 6.556 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.956 -8.906 8.366 1.00 0.00 N ATOM 0 H ARG B 49 7.402 -3.114 7.042 1.00 0.00 H new ATOM 0 HA ARG B 49 6.512 -3.616 4.262 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.317 -5.638 5.518 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.081 -5.340 6.724 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.334 -5.542 4.935 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.595 -5.929 3.781 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.668 -8.010 4.512 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.254 -7.878 5.245 1.00 0.00 H new ATOM 0 HE ARG B 49 4.326 -6.808 7.069 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.342 -9.869 5.630 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.809 -10.829 7.014 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.634 -8.062 8.840 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.851 -9.816 8.815 1.00 0.00 H new ATOM 798 N ILE B 50 4.309 -2.590 4.749 1.00 0.00 N ATOM 799 CA ILE B 50 3.030 -1.944 4.993 1.00 0.00 C ATOM 800 C ILE B 50 1.937 -2.745 4.306 1.00 0.00 C ATOM 801 O ILE B 50 2.070 -3.123 3.144 1.00 0.00 O ATOM 802 CB ILE B 50 2.989 -0.471 4.489 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.168 0.363 5.016 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.692 0.190 4.920 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.508 0.036 4.397 1.00 0.00 C ATOM 0 H ILE B 50 4.580 -2.628 3.766 1.00 0.00 H new ATOM 0 HA ILE B 50 2.877 -1.914 6.072 1.00 0.00 H new ATOM 0 HB ILE B 50 3.059 -0.508 3.402 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.953 1.418 4.845 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.239 0.223 6.095 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.672 1.220 4.563 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.848 -0.356 4.499 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.623 0.182 6.008 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.276 0.676 4.832 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.753 -1.008 4.591 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.463 0.205 3.321 1.00 0.00 H new ATOM 817 N LEU B 51 0.876 -3.028 5.034 1.00 0.00 N ATOM 818 CA LEU B 51 -0.209 -3.845 4.521 1.00 0.00 C ATOM 819 C LEU B 51 -1.497 -3.050 4.469 1.00 0.00 C ATOM 820 O LEU B 51 -1.982 -2.591 5.494 1.00 0.00 O ATOM 821 CB LEU B 51 -0.403 -5.083 5.398 1.00 0.00 C ATOM 822 CG LEU B 51 0.264 -6.361 4.894 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.311 -6.751 3.549 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.772 -6.195 4.803 1.00 0.00 C ATOM 0 H LEU B 51 0.740 -2.702 5.991 1.00 0.00 H new ATOM 0 HA LEU B 51 0.051 -4.160 3.511 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.020 -4.864 6.395 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.472 -5.269 5.501 1.00 0.00 H new ATOM 0 HG LEU B 51 0.061 -7.158 5.610 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.171 -7.663 3.198 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.383 -6.922 3.647 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.136 -5.949 2.832 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.219 -7.121 4.441 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.008 -5.385 4.113 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.172 -5.960 5.789 1.00 0.00 H new ATOM 836 N ILE B 52 -2.039 -2.875 3.281 1.00 0.00 N ATOM 837 CA ILE B 52 -3.295 -2.162 3.127 1.00 0.00 C ATOM 838 C ILE B 52 -4.316 -3.049 2.430 1.00 0.00 C ATOM 839 O ILE B 52 -4.245 -3.256 1.220 1.00 0.00 O ATOM 840 CB ILE B 52 -3.139 -0.849 2.320 1.00 0.00 C ATOM 841 CG1 ILE B 52 -2.019 0.032 2.890 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.449 -0.080 2.313 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.646 -0.295 2.343 1.00 0.00 C ATOM 0 H ILE B 52 -1.633 -3.215 2.409 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.633 -1.902 4.130 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.870 -1.117 1.298 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.246 1.076 2.675 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -2.002 -0.074 3.975 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.327 0.841 1.743 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.227 -0.691 1.854 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.734 0.162 3.337 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.092 0.369 2.792 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.396 -1.329 2.581 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.644 -0.161 1.261 1.00 0.00 H new ATOM 855 N GLU B 53 -5.254 -3.586 3.190 1.00 0.00 N ATOM 856 CA GLU B 53 -6.277 -4.441 2.612 1.00 0.00 C ATOM 857 C GLU B 53 -7.628 -3.747 2.647 1.00 0.00 C ATOM 858 O GLU B 53 -7.870 -2.881 3.488 1.00 0.00 O ATOM 859 CB GLU B 53 -6.353 -5.785 3.339 1.00 0.00 C ATOM 860 CG GLU B 53 -6.999 -5.714 4.707 1.00 0.00 C ATOM 861 CD GLU B 53 -7.012 -7.057 5.405 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.722 -7.968 4.928 1.00 0.00 O ATOM 863 OE2 GLU B 53 -6.308 -7.213 6.425 1.00 0.00 O ATOM 0 H GLU B 53 -5.329 -3.448 4.198 1.00 0.00 H new ATOM 0 HA GLU B 53 -6.005 -4.634 1.574 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.912 -6.488 2.722 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.345 -6.185 3.446 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.463 -4.992 5.323 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -8.021 -5.350 4.605 1.00 0.00 H new ATOM 870 N ASN B 54 -8.491 -4.119 1.724 1.00 0.00 N ATOM 871 CA ASN B 54 -9.812 -3.521 1.632 1.00 0.00 C ATOM 872 C ASN B 54 -10.853 -4.449 2.223 1.00 0.00 C ATOM 873 O ASN B 54 -11.179 -5.484 1.644 1.00 0.00 O ATOM 874 CB ASN B 54 -10.172 -3.223 0.183 1.00 0.00 C ATOM 875 CG ASN B 54 -11.361 -2.289 0.051 1.00 0.00 C ATOM 876 OD1 ASN B 54 -12.065 -2.306 -0.956 1.00 0.00 O ATOM 877 ND2 ASN B 54 -11.595 -1.467 1.064 1.00 0.00 N ATOM 0 H ASN B 54 -8.302 -4.836 1.023 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.796 -2.587 2.194 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.311 -2.780 -0.316 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.392 -4.158 -0.331 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.382 -0.819 1.024 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -10.988 -1.482 1.884 1.00 0.00 H new ATOM 884 N LYS B 55 -11.373 -4.068 3.369 1.00 0.00 N ATOM 885 CA LYS B 55 -12.355 -4.868 4.064 1.00 0.00 C ATOM 886 C LYS B 55 -13.512 -4.003 4.540 1.00 0.00 C ATOM 887 O LYS B 55 -13.467 -3.422 5.624 1.00 0.00 O ATOM 888 CB LYS B 55 -11.692 -5.568 5.249 1.00 0.00 C ATOM 889 CG LYS B 55 -10.704 -4.681 6.000 1.00 0.00 C ATOM 890 CD LYS B 55 -10.186 -5.362 7.251 1.00 0.00 C ATOM 891 CE LYS B 55 -11.250 -5.409 8.334 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.433 -4.091 8.998 1.00 0.00 N ATOM 0 H LYS B 55 -11.128 -3.199 3.843 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.753 -5.617 3.379 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.464 -5.906 5.940 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.172 -6.457 4.892 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.867 -4.432 5.347 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.188 -3.742 6.269 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.865 -6.375 7.010 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.310 -4.829 7.621 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.196 -5.729 7.898 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -10.975 -6.155 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -12.025 -4.208 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.506 -3.709 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -11.897 -3.432 8.340 1.00 0.00 H new ATOM 906 N ALA B 56 -14.545 -3.914 3.723 1.00 0.00 N ATOM 907 CA ALA B 56 -15.755 -3.197 4.100 1.00 0.00 C ATOM 908 C ALA B 56 -16.996 -3.987 3.698 1.00 0.00 C ATOM 909 O ALA B 56 -16.906 -4.880 2.853 1.00 0.00 O ATOM 910 CB ALA B 56 -15.774 -1.813 3.464 1.00 0.00 C ATOM 0 H ALA B 56 -14.573 -4.329 2.792 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.760 -3.080 5.184 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.685 -1.291 3.756 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.907 -1.246 3.801 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.744 -1.911 2.379 1.00 0.00 H new ATOM 916 N PRO B 57 -18.167 -3.688 4.295 1.00 0.00 N ATOM 917 CA PRO B 57 -19.436 -4.321 3.914 1.00 0.00 C ATOM 918 C PRO B 57 -19.711 -4.131 2.434 1.00 0.00 C ATOM 919 O PRO B 57 -20.087 -5.066 1.721 1.00 0.00 O ATOM 920 CB PRO B 57 -20.482 -3.570 4.752 1.00 0.00 C ATOM 921 CG PRO B 57 -19.795 -2.326 5.200 1.00 0.00 C ATOM 922 CD PRO B 57 -18.360 -2.713 5.378 1.00 0.00 C ATOM 0 HA PRO B 57 -19.438 -5.397 4.090 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -21.370 -3.340 4.162 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -20.810 -4.168 5.602 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -19.900 -1.531 4.462 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -20.221 -1.954 6.132 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -17.692 -1.857 5.280 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -18.175 -3.151 6.359 1.00 0.00 H new ATOM 930 N ASN B 58 -19.489 -2.913 1.982 1.00 0.00 N ATOM 931 CA ASN B 58 -19.691 -2.552 0.593 1.00 0.00 C ATOM 932 C ASN B 58 -18.501 -1.745 0.114 1.00 0.00 C ATOM 933 O ASN B 58 -18.482 -0.523 0.210 1.00 0.00 O ATOM 934 CB ASN B 58 -20.989 -1.756 0.429 1.00 0.00 C ATOM 935 CG ASN B 58 -22.210 -2.572 0.804 1.00 0.00 C ATOM 936 OD1 ASN B 58 -22.827 -3.216 -0.045 1.00 0.00 O ATOM 937 ND2 ASN B 58 -22.555 -2.567 2.085 1.00 0.00 N ATOM 0 H ASN B 58 -19.163 -2.145 2.568 1.00 0.00 H new ATOM 0 HA ASN B 58 -19.778 -3.456 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -20.946 -0.862 1.051 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -21.080 -1.422 -0.604 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -23.359 -3.111 2.399 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -22.016 -2.019 2.756 1.00 0.00 H new ATOM 944 N SER B 59 -17.496 -2.438 -0.380 1.00 0.00 N ATOM 945 CA SER B 59 -16.257 -1.799 -0.771 1.00 0.00 C ATOM 946 C SER B 59 -16.256 -1.493 -2.253 1.00 0.00 C ATOM 947 O SER B 59 -16.217 -2.397 -3.088 1.00 0.00 O ATOM 948 CB SER B 59 -15.070 -2.696 -0.438 1.00 0.00 C ATOM 949 OG SER B 59 -15.195 -3.264 0.852 1.00 0.00 O ATOM 0 H SER B 59 -17.514 -3.448 -0.521 1.00 0.00 H new ATOM 0 HA SER B 59 -16.171 -0.864 -0.217 1.00 0.00 H new ATOM 0 HB2 SER B 59 -14.993 -3.490 -1.181 1.00 0.00 H new ATOM 0 HB3 SER B 59 -14.148 -2.117 -0.494 1.00 0.00 H new ATOM 0 HG SER B 59 -14.895 -4.197 0.829 1.00 0.00 H new ATOM 955 N LYS B 60 -16.302 -0.213 -2.569 1.00 0.00 N ATOM 956 CA LYS B 60 -16.269 0.238 -3.946 1.00 0.00 C ATOM 957 C LYS B 60 -15.088 1.183 -4.172 1.00 0.00 C ATOM 958 O LYS B 60 -15.251 2.406 -4.231 1.00 0.00 O ATOM 959 CB LYS B 60 -17.591 0.921 -4.314 1.00 0.00 C ATOM 960 CG LYS B 60 -18.755 -0.044 -4.535 1.00 0.00 C ATOM 961 CD LYS B 60 -19.259 -0.658 -3.237 1.00 0.00 C ATOM 962 CE LYS B 60 -20.387 -1.648 -3.480 1.00 0.00 C ATOM 963 NZ LYS B 60 -21.601 -0.988 -4.024 1.00 0.00 N ATOM 0 H LYS B 60 -16.363 0.539 -1.883 1.00 0.00 H new ATOM 0 HA LYS B 60 -16.139 -0.629 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -17.859 1.620 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -17.444 1.508 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -19.573 0.485 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -18.440 -0.839 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -18.436 -1.162 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -19.607 0.133 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -20.050 -2.417 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -20.636 -2.150 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -22.449 -1.478 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -21.624 0.005 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -21.582 -1.028 -5.063 1.00 0.00 H new ATOM 977 N PRO B 61 -13.871 0.621 -4.258 1.00 0.00 N ATOM 978 CA PRO B 61 -12.657 1.387 -4.551 1.00 0.00 C ATOM 979 C PRO B 61 -12.597 1.810 -6.013 1.00 0.00 C ATOM 980 O PRO B 61 -13.145 1.141 -6.892 1.00 0.00 O ATOM 981 CB PRO B 61 -11.533 0.399 -4.235 1.00 0.00 C ATOM 982 CG PRO B 61 -12.136 -0.944 -4.446 1.00 0.00 C ATOM 983 CD PRO B 61 -13.582 -0.813 -4.065 1.00 0.00 C ATOM 0 HA PRO B 61 -12.601 2.312 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -10.675 0.554 -4.889 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -11.179 0.517 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -12.033 -1.259 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -11.638 -1.696 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -14.219 -1.437 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -13.753 -1.120 -3.033 1.00 0.00 H new ATOM 991 N ASP B 62 -11.928 2.923 -6.265 1.00 0.00 N ATOM 992 CA ASP B 62 -11.836 3.472 -7.612 1.00 0.00 C ATOM 993 C ASP B 62 -10.706 2.819 -8.391 1.00 0.00 C ATOM 994 O ASP B 62 -10.909 2.329 -9.499 1.00 0.00 O ATOM 995 CB ASP B 62 -11.626 4.990 -7.566 1.00 0.00 C ATOM 996 CG ASP B 62 -12.876 5.746 -7.160 1.00 0.00 C ATOM 997 OD1 ASP B 62 -13.177 5.806 -5.949 1.00 0.00 O ATOM 998 OD2 ASP B 62 -13.560 6.294 -8.048 1.00 0.00 O ATOM 0 H ASP B 62 -11.439 3.467 -5.554 1.00 0.00 H new ATOM 0 HA ASP B 62 -12.777 3.260 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -10.824 5.220 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -11.300 5.337 -8.547 1.00 0.00 H new ATOM 1003 N ARG B 63 -9.512 2.818 -7.809 1.00 0.00 N ATOM 1004 CA ARG B 63 -8.338 2.278 -8.478 1.00 0.00 C ATOM 1005 C ARG B 63 -7.168 2.163 -7.510 1.00 0.00 C ATOM 1006 O ARG B 63 -7.295 2.475 -6.322 1.00 0.00 O ATOM 1007 CB ARG B 63 -7.951 3.208 -9.621 1.00 0.00 C ATOM 1008 CG ARG B 63 -7.570 4.596 -9.140 1.00 0.00 C ATOM 1009 CD ARG B 63 -7.620 5.605 -10.262 1.00 0.00 C ATOM 1010 NE ARG B 63 -7.172 6.923 -9.821 1.00 0.00 N ATOM 1011 CZ ARG B 63 -6.576 7.811 -10.612 1.00 0.00 C ATOM 1012 NH1 ARG B 63 -6.375 7.536 -11.895 1.00 0.00 N ATOM 1013 NH2 ARG B 63 -6.177 8.974 -10.119 1.00 0.00 N ATOM 0 H ARG B 63 -9.333 3.186 -6.875 1.00 0.00 H new ATOM 0 HA ARG B 63 -8.575 1.284 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -7.114 2.775 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -8.784 3.285 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.246 4.904 -8.342 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -6.566 4.572 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -6.994 5.264 -11.086 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -8.639 5.675 -10.644 1.00 0.00 H new ATOM 0 HE ARG B 63 -7.326 7.179 -8.846 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -6.678 6.641 -12.278 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -5.918 8.220 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -6.327 9.188 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -5.720 9.655 -10.725 1.00 0.00 H new ATOM 1027 N PHE B 64 -6.038 1.704 -8.027 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.789 1.720 -7.288 1.00 0.00 C ATOM 1029 C PHE B 64 -3.708 2.398 -8.111 1.00 0.00 C ATOM 1030 O PHE B 64 -3.234 1.848 -9.107 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.344 0.308 -6.907 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.162 -0.301 -5.808 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.883 0.000 -4.489 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -6.203 -1.170 -6.091 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.625 -0.555 -3.464 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.950 -1.729 -5.073 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.661 -1.421 -3.758 1.00 0.00 C ATOM 0 H PHE B 64 -5.963 1.312 -8.966 1.00 0.00 H new ATOM 0 HA PHE B 64 -4.952 2.280 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -4.399 -0.332 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.299 0.336 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.075 0.678 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -6.433 -1.413 -7.118 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.396 -0.313 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.759 -2.406 -5.305 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.244 -1.857 -2.960 1.00 0.00 H new ATOM 1047 N SER B 65 -3.337 3.596 -7.699 1.00 0.00 N ATOM 1048 CA SER B 65 -2.295 4.350 -8.376 1.00 0.00 C ATOM 1049 C SER B 65 -1.390 5.019 -7.348 1.00 0.00 C ATOM 1050 O SER B 65 -1.529 6.209 -7.058 1.00 0.00 O ATOM 1051 CB SER B 65 -2.918 5.399 -9.298 1.00 0.00 C ATOM 1052 OG SER B 65 -3.762 4.792 -10.265 1.00 0.00 O ATOM 0 H SER B 65 -3.744 4.071 -6.894 1.00 0.00 H new ATOM 0 HA SER B 65 -1.698 3.668 -8.981 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.492 6.113 -8.707 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.130 5.961 -9.800 1.00 0.00 H new ATOM 0 HG SER B 65 -4.149 5.484 -10.841 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.455 4.249 -6.782 1.00 0.00 N ATOM 1059 CA PRO B 66 0.457 4.744 -5.759 1.00 0.00 C ATOM 1060 C PRO B 66 1.644 5.509 -6.335 1.00 0.00 C ATOM 1061 O PRO B 66 2.069 5.276 -7.470 1.00 0.00 O ATOM 1062 CB PRO B 66 0.927 3.464 -5.073 1.00 0.00 C ATOM 1063 CG PRO B 66 0.865 2.418 -6.132 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.238 2.821 -7.074 1.00 0.00 C ATOM 0 HA PRO B 66 -0.029 5.458 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.939 3.573 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.286 3.210 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.816 2.344 -6.659 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.664 1.439 -5.697 1.00 0.00 H new ATOM 0 HD2 PRO B 66 0.049 2.666 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.142 2.237 -6.902 1.00 0.00 H new ATOM 1072 N SER B 67 2.182 6.417 -5.540 1.00 0.00 N ATOM 1073 CA SER B 67 3.351 7.183 -5.942 1.00 0.00 C ATOM 1074 C SER B 67 4.055 7.747 -4.719 1.00 0.00 C ATOM 1075 O SER B 67 3.423 8.017 -3.694 1.00 0.00 O ATOM 1076 CB SER B 67 2.972 8.311 -6.909 1.00 0.00 C ATOM 1077 OG SER B 67 2.135 9.266 -6.293 1.00 0.00 O ATOM 0 H SER B 67 1.828 6.643 -4.610 1.00 0.00 H new ATOM 0 HA SER B 67 4.032 6.511 -6.464 1.00 0.00 H new ATOM 0 HB2 SER B 67 3.877 8.799 -7.271 1.00 0.00 H new ATOM 0 HB3 SER B 67 2.467 7.891 -7.779 1.00 0.00 H new ATOM 0 HG SER B 67 1.426 8.807 -5.795 1.00 0.00 H new ATOM 1083 N TYR B 68 5.360 7.914 -4.833 1.00 0.00 N ATOM 1084 CA TYR B 68 6.174 8.399 -3.739 1.00 0.00 C ATOM 1085 C TYR B 68 6.650 9.815 -4.014 1.00 0.00 C ATOM 1086 O TYR B 68 7.213 10.100 -5.071 1.00 0.00 O ATOM 1087 CB TYR B 68 7.378 7.479 -3.529 1.00 0.00 C ATOM 1088 CG TYR B 68 8.414 8.045 -2.590 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.132 8.229 -1.241 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.669 8.406 -3.057 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.079 8.758 -0.384 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.619 8.933 -2.206 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.321 9.111 -0.871 1.00 0.00 C ATOM 1094 OH TYR B 68 11.269 9.642 -0.021 1.00 0.00 O ATOM 0 H TYR B 68 5.883 7.717 -5.686 1.00 0.00 H new ATOM 0 HA TYR B 68 5.566 8.404 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR B 68 7.030 6.523 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.845 7.279 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.160 7.955 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.906 8.273 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.848 8.894 0.662 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.593 9.205 -2.584 1.00 0.00 H new ATOM 0 HH TYR B 68 12.088 9.835 -0.524 1.00 0.00 H new ATOM 1104 N ASN B 69 6.423 10.698 -3.067 1.00 0.00 N ATOM 1105 CA ASN B 69 6.899 12.065 -3.185 1.00 0.00 C ATOM 1106 C ASN B 69 8.047 12.281 -2.221 1.00 0.00 C ATOM 1107 O ASN B 69 7.942 11.954 -1.050 1.00 0.00 O ATOM 1108 CB ASN B 69 5.752 13.050 -2.933 1.00 0.00 C ATOM 1109 CG ASN B 69 5.803 13.766 -1.606 1.00 0.00 C ATOM 1110 OD1 ASN B 69 6.429 14.808 -1.477 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.099 13.228 -0.626 1.00 0.00 N ATOM 0 H ASN B 69 5.913 10.498 -2.207 1.00 0.00 H new ATOM 0 HA ASN B 69 7.264 12.244 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.751 13.794 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.808 12.509 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN B 69 5.062 13.684 0.285 1.00 0.00 H new ATOM 0 HD22 ASN B 69 4.592 12.356 -0.781 1.00 0.00 H new ATOM 1118 N PHE B 70 9.153 12.791 -2.737 1.00 0.00 N ATOM 1119 CA PHE B 70 10.350 13.030 -1.931 1.00 0.00 C ATOM 1120 C PHE B 70 10.183 14.252 -1.044 1.00 0.00 C ATOM 1121 O PHE B 70 10.826 14.360 -0.001 1.00 0.00 O ATOM 1122 CB PHE B 70 11.573 13.243 -2.818 1.00 0.00 C ATOM 1123 CG PHE B 70 11.959 12.051 -3.639 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.236 11.708 -4.767 1.00 0.00 C ATOM 1125 CD2 PHE B 70 13.057 11.281 -3.290 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.597 10.620 -5.532 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.423 10.189 -4.050 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.692 9.859 -5.173 1.00 0.00 C ATOM 0 H PHE B 70 9.252 13.051 -3.718 1.00 0.00 H new ATOM 0 HA PHE B 70 10.493 12.146 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.380 14.082 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.418 13.525 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.379 12.300 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.633 11.538 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.024 10.363 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.279 9.594 -3.767 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.976 9.006 -5.771 1.00 0.00 H new ATOM 1138 N ALA B 71 9.318 15.167 -1.465 1.00 0.00 N ATOM 1139 CA ALA B 71 9.147 16.431 -0.764 1.00 0.00 C ATOM 1140 C ALA B 71 8.680 16.198 0.664 1.00 0.00 C ATOM 1141 O ALA B 71 9.277 16.706 1.612 1.00 0.00 O ATOM 1142 CB ALA B 71 8.171 17.319 -1.514 1.00 0.00 C ATOM 0 H ALA B 71 8.725 15.056 -2.288 1.00 0.00 H new ATOM 0 HA ALA B 71 10.112 16.937 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.052 18.261 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.554 17.516 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.205 16.818 -1.587 1.00 0.00 H new ATOM 1148 N GLU B 72 7.625 15.417 0.820 1.00 0.00 N ATOM 1149 CA GLU B 72 7.136 15.079 2.139 1.00 0.00 C ATOM 1150 C GLU B 72 7.546 13.664 2.486 1.00 0.00 C ATOM 1151 O GLU B 72 7.357 13.230 3.615 1.00 0.00 O ATOM 1152 CB GLU B 72 5.615 15.177 2.214 1.00 0.00 C ATOM 1153 CG GLU B 72 5.029 16.351 1.448 1.00 0.00 C ATOM 1154 CD GLU B 72 5.438 17.692 2.021 1.00 0.00 C ATOM 1155 OE1 GLU B 72 5.123 17.962 3.200 1.00 0.00 O ATOM 1156 OE2 GLU B 72 6.066 18.488 1.295 1.00 0.00 O ATOM 0 H GLU B 72 7.094 15.008 0.051 1.00 0.00 H new ATOM 0 HA GLU B 72 7.568 15.789 2.844 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.183 14.254 1.828 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.318 15.255 3.260 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.347 16.294 0.407 1.00 0.00 H new ATOM 0 HG3 GLU B 72 3.942 16.276 1.454 1.00 0.00 H new ATOM 1163 N ASN B 73 8.057 12.946 1.468 1.00 0.00 N ATOM 1164 CA ASN B 73 8.513 11.547 1.587 1.00 0.00 C ATOM 1165 C ASN B 73 7.364 10.657 2.030 1.00 0.00 C ATOM 1166 O ASN B 73 7.491 9.798 2.904 1.00 0.00 O ATOM 1167 CB ASN B 73 9.783 11.349 2.455 1.00 0.00 C ATOM 1168 CG ASN B 73 9.692 11.880 3.868 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.170 12.978 4.161 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.070 11.119 4.746 1.00 0.00 N ATOM 0 H ASN B 73 8.166 13.326 0.528 1.00 0.00 H new ATOM 0 HA ASN B 73 8.832 11.244 0.590 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.010 10.284 2.499 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.623 11.833 1.956 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.969 11.432 5.711 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.689 10.217 4.460 1.00 0.00 H new ATOM 1177 N ILE B 74 6.231 10.880 1.381 1.00 0.00 N ATOM 1178 CA ILE B 74 5.023 10.108 1.627 1.00 0.00 C ATOM 1179 C ILE B 74 4.773 9.179 0.440 1.00 0.00 C ATOM 1180 O ILE B 74 5.052 9.540 -0.706 1.00 0.00 O ATOM 1181 CB ILE B 74 3.779 11.027 1.824 1.00 0.00 C ATOM 1182 CG1 ILE B 74 3.783 11.789 3.166 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.490 10.227 1.712 1.00 0.00 C ATOM 1184 CD1 ILE B 74 4.971 11.535 4.064 1.00 0.00 C ATOM 0 H ILE B 74 6.124 11.602 0.668 1.00 0.00 H new ATOM 0 HA ILE B 74 5.169 9.536 2.543 1.00 0.00 H new ATOM 0 HB ILE B 74 3.835 11.768 1.026 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.733 12.857 2.955 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.876 11.529 3.712 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.637 10.890 1.853 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.432 9.766 0.726 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.476 9.450 2.477 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.869 12.121 4.977 1.00 0.00 H new ATOM 0 HD12 ILE B 74 5.017 10.476 4.316 1.00 0.00 H new ATOM 0 HD13 ILE B 74 5.886 11.825 3.547 1.00 0.00 H new ATOM 1196 N LEU B 75 4.272 7.987 0.721 1.00 0.00 N ATOM 1197 CA LEU B 75 3.887 7.046 -0.318 1.00 0.00 C ATOM 1198 C LEU B 75 2.367 6.926 -0.325 1.00 0.00 C ATOM 1199 O LEU B 75 1.785 6.211 0.487 1.00 0.00 O ATOM 1200 CB LEU B 75 4.568 5.684 -0.059 1.00 0.00 C ATOM 1201 CG LEU B 75 4.388 4.587 -1.126 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.067 3.859 -0.961 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.497 5.170 -2.523 1.00 0.00 C ATOM 0 H LEU B 75 4.121 7.646 1.670 1.00 0.00 H new ATOM 0 HA LEU B 75 4.212 7.396 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.636 5.860 0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.196 5.296 0.889 1.00 0.00 H new ATOM 0 HG LEU B 75 5.190 3.862 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.975 3.093 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.030 3.391 0.023 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.246 4.569 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.367 4.377 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.724 5.926 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.478 5.626 -2.651 1.00 0.00 H new ATOM 1215 N TYR B 76 1.717 7.651 -1.219 1.00 0.00 N ATOM 1216 CA TYR B 76 0.264 7.652 -1.260 1.00 0.00 C ATOM 1217 C TYR B 76 -0.225 6.509 -2.137 1.00 0.00 C ATOM 1218 O TYR B 76 0.397 6.180 -3.146 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.267 9.012 -1.741 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.862 9.018 -3.130 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -2.207 8.733 -3.335 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -0.084 9.322 -4.229 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -2.754 8.753 -4.602 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -0.625 9.341 -5.500 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.960 9.057 -5.680 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.502 9.081 -6.947 1.00 0.00 O ATOM 0 H TYR B 76 2.166 8.241 -1.920 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.125 7.497 -0.254 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.025 9.357 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.549 9.734 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.834 8.492 -2.489 1.00 0.00 H new ATOM 0 HD2 TYR B 76 0.963 9.548 -4.093 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -3.801 8.531 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -0.002 9.578 -6.350 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.372 8.209 -7.375 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.340 5.905 -1.738 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.819 4.692 -2.378 1.00 0.00 C ATOM 1238 C ILE B 77 -2.866 4.975 -3.452 1.00 0.00 C ATOM 1239 O ILE B 77 -2.705 4.563 -4.596 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.405 3.707 -1.341 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.322 3.258 -0.355 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.032 2.502 -2.030 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.181 2.499 -1.001 1.00 0.00 C ATOM 0 H ILE B 77 -1.927 6.239 -0.973 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.952 4.240 -2.859 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.187 4.225 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.921 4.135 0.153 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.778 2.628 0.409 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.437 1.824 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.834 2.836 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.274 1.983 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.545 2.215 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.568 1.602 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.303 3.133 -1.745 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.948 5.659 -3.093 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.037 5.853 -4.054 1.00 0.00 C ATOM 1257 C ASN B 78 -5.964 7.009 -3.699 1.00 0.00 C ATOM 1258 O ASN B 78 -7.119 7.028 -4.125 1.00 0.00 O ATOM 1259 CB ASN B 78 -5.859 4.566 -4.199 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.322 3.998 -2.868 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -6.462 4.717 -1.877 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.567 2.698 -2.839 1.00 0.00 N ATOM 0 H ASN B 78 -4.096 6.078 -2.175 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.559 6.106 -5.000 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.730 4.767 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -5.261 3.817 -4.718 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.884 2.258 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.439 2.136 -3.681 1.00 0.00 H new ATOM 1269 N GLY B 79 -5.474 7.968 -2.933 1.00 0.00 N ATOM 1270 CA GLY B 79 -6.282 9.133 -2.617 1.00 0.00 C ATOM 1271 C GLY B 79 -7.243 8.887 -1.473 1.00 0.00 C ATOM 1272 O GLY B 79 -7.684 9.826 -0.809 1.00 0.00 O ATOM 0 H GLY B 79 -4.539 7.965 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -5.627 9.966 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -6.846 9.430 -3.502 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.573 7.623 -1.237 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.441 7.261 -0.133 1.00 0.00 C ATOM 1278 C LYS B 80 -7.606 7.262 1.128 1.00 0.00 C ATOM 1279 O LYS B 80 -8.098 7.507 2.230 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.059 5.876 -0.351 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.562 5.635 -1.769 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.680 6.590 -2.166 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.911 6.424 -1.287 1.00 0.00 C ATOM 1284 NZ LYS B 80 -13.075 7.184 -1.813 1.00 0.00 N ATOM 0 H LYS B 80 -7.251 6.834 -1.798 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.259 7.977 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.317 5.116 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.889 5.747 0.344 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -8.732 5.743 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.919 4.609 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -10.321 7.617 -2.097 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.952 6.417 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -12.168 5.367 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.683 6.762 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.893 7.045 -1.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -12.839 8.196 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -13.309 6.844 -2.768 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.324 6.982 0.934 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.353 7.040 2.005 1.00 0.00 C ATOM 1300 C LEU B 81 -3.931 7.102 1.461 1.00 0.00 C ATOM 1301 O LEU B 81 -3.655 6.668 0.336 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.517 5.869 2.986 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.789 4.485 2.379 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.657 4.033 1.474 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.996 3.481 3.490 1.00 0.00 C ATOM 0 H LEU B 81 -5.935 6.710 0.031 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.541 7.960 2.559 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.611 5.803 3.589 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.335 6.108 3.665 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.689 4.554 1.768 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.889 3.050 1.065 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.536 4.746 0.658 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.732 3.978 2.048 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.189 2.498 3.061 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.101 3.436 4.111 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.847 3.784 4.100 1.00 0.00 H new ATOM 1317 N SER B 82 -3.046 7.684 2.248 1.00 0.00 N ATOM 1318 CA SER B 82 -1.638 7.729 1.914 1.00 0.00 C ATOM 1319 C SER B 82 -0.824 7.123 3.051 1.00 0.00 C ATOM 1320 O SER B 82 -1.243 7.163 4.208 1.00 0.00 O ATOM 1321 CB SER B 82 -1.204 9.172 1.642 1.00 0.00 C ATOM 1322 OG SER B 82 -1.482 10.019 2.746 1.00 0.00 O ATOM 0 H SER B 82 -3.282 8.136 3.131 1.00 0.00 H new ATOM 0 HA SER B 82 -1.463 7.147 1.009 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.136 9.196 1.424 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.719 9.546 0.757 1.00 0.00 H new ATOM 0 HG SER B 82 -1.191 10.932 2.539 1.00 0.00 H new ATOM 1328 N ILE B 83 0.319 6.543 2.725 1.00 0.00 N ATOM 1329 CA ILE B 83 1.182 5.947 3.732 1.00 0.00 C ATOM 1330 C ILE B 83 2.418 6.816 3.953 1.00 0.00 C ATOM 1331 O ILE B 83 3.356 6.795 3.153 1.00 0.00 O ATOM 1332 CB ILE B 83 1.620 4.521 3.327 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.394 3.632 3.069 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.509 3.909 4.400 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.537 3.499 4.259 1.00 0.00 C ATOM 0 H ILE B 83 0.671 6.472 1.770 1.00 0.00 H new ATOM 0 HA ILE B 83 0.611 5.882 4.658 1.00 0.00 H new ATOM 0 HB ILE B 83 2.195 4.588 2.403 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.166 4.039 2.227 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.734 2.639 2.775 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.807 2.905 4.097 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.397 4.527 4.533 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.960 3.856 5.340 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.376 2.856 3.994 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.005 3.062 5.098 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.909 4.484 4.541 1.00 0.00 H new ATOM 1347 N PRO B 84 2.419 7.624 5.023 1.00 0.00 N ATOM 1348 CA PRO B 84 3.559 8.471 5.372 1.00 0.00 C ATOM 1349 C PRO B 84 4.777 7.652 5.768 1.00 0.00 C ATOM 1350 O PRO B 84 4.685 6.732 6.585 1.00 0.00 O ATOM 1351 CB PRO B 84 3.062 9.291 6.567 1.00 0.00 C ATOM 1352 CG PRO B 84 1.581 9.171 6.517 1.00 0.00 C ATOM 1353 CD PRO B 84 1.311 7.802 5.970 1.00 0.00 C ATOM 0 HA PRO B 84 3.877 9.084 4.529 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.459 8.904 7.505 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.378 10.332 6.492 1.00 0.00 H new ATOM 0 HG2 PRO B 84 1.143 9.291 7.508 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.146 9.941 5.880 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.317 7.042 6.752 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.341 7.744 5.477 1.00 0.00 H new ATOM 1361 N LEU B 85 5.915 7.990 5.192 1.00 0.00 N ATOM 1362 CA LEU B 85 7.143 7.269 5.467 1.00 0.00 C ATOM 1363 C LEU B 85 8.010 8.056 6.444 1.00 0.00 C ATOM 1364 O LEU B 85 7.918 9.283 6.516 1.00 0.00 O ATOM 1365 CB LEU B 85 7.901 7.008 4.164 1.00 0.00 C ATOM 1366 CG LEU B 85 7.130 6.198 3.119 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.961 6.029 1.861 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.728 4.841 3.680 1.00 0.00 C ATOM 0 H LEU B 85 6.015 8.760 4.530 1.00 0.00 H new ATOM 0 HA LEU B 85 6.896 6.310 5.923 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.181 7.966 3.726 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.827 6.483 4.399 1.00 0.00 H new ATOM 0 HG LEU B 85 6.222 6.744 2.863 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.398 5.451 1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.197 7.009 1.446 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.886 5.506 2.103 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.181 4.281 2.921 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.622 4.286 3.966 1.00 0.00 H new ATOM 0 HD23 LEU B 85 6.093 4.982 4.555 1.00 0.00 H new ATOM 1380 N PRO B 86 8.828 7.353 7.237 1.00 0.00 N ATOM 1381 CA PRO B 86 9.755 7.987 8.176 1.00 0.00 C ATOM 1382 C PRO B 86 10.958 8.608 7.469 1.00 0.00 C ATOM 1383 O PRO B 86 11.484 8.052 6.503 1.00 0.00 O ATOM 1384 CB PRO B 86 10.200 6.827 9.066 1.00 0.00 C ATOM 1385 CG PRO B 86 10.068 5.620 8.206 1.00 0.00 C ATOM 1386 CD PRO B 86 8.902 5.881 7.294 1.00 0.00 C ATOM 0 HA PRO B 86 9.289 8.808 8.721 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.227 6.960 9.407 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.576 6.749 9.957 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.979 5.448 7.633 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.898 4.728 8.810 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.061 5.449 6.306 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.982 5.448 7.686 1.00 0.00 H new ATOM 1394 N ARG B 87 11.408 9.749 7.977 1.00 0.00 N ATOM 1395 CA ARG B 87 12.527 10.471 7.377 1.00 0.00 C ATOM 1396 C ARG B 87 13.850 9.850 7.800 1.00 0.00 C ATOM 1397 O ARG B 87 14.918 10.270 7.360 1.00 0.00 O ATOM 1398 CB ARG B 87 12.515 11.954 7.769 1.00 0.00 C ATOM 1399 CG ARG B 87 11.391 12.762 7.141 1.00 0.00 C ATOM 1400 CD ARG B 87 10.063 12.535 7.842 1.00 0.00 C ATOM 1401 NE ARG B 87 10.049 13.096 9.192 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.966 13.613 9.771 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.807 13.640 9.124 1.00 0.00 N ATOM 1404 NH2 ARG B 87 9.039 14.102 11.001 1.00 0.00 N ATOM 0 H ARG B 87 11.015 10.196 8.805 1.00 0.00 H new ATOM 0 HA ARG B 87 12.417 10.397 6.295 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.438 12.030 8.854 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.468 12.400 7.485 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.643 13.822 7.177 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.296 12.493 6.089 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.262 12.985 7.255 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.859 11.466 7.893 1.00 0.00 H new ATOM 0 HE ARG B 87 10.920 13.091 9.722 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.742 13.264 8.178 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.982 14.037 9.573 1.00 0.00 H new ATOM 0 HH21 ARG B 87 9.925 14.083 11.506 1.00 0.00 H new ATOM 0 HH22 ARG B 87 8.209 14.497 11.443 1.00 0.00 H new ATOM 1418 N ASP B 88 13.762 8.849 8.661 1.00 0.00 N ATOM 1419 CA ASP B 88 14.935 8.147 9.159 1.00 0.00 C ATOM 1420 C ASP B 88 15.374 7.087 8.155 1.00 0.00 C ATOM 1421 O ASP B 88 16.448 6.499 8.268 1.00 0.00 O ATOM 1422 CB ASP B 88 14.605 7.507 10.509 1.00 0.00 C ATOM 1423 CG ASP B 88 15.770 6.761 11.122 1.00 0.00 C ATOM 1424 OD1 ASP B 88 16.740 7.415 11.553 1.00 0.00 O ATOM 1425 OD2 ASP B 88 15.705 5.516 11.208 1.00 0.00 O ATOM 0 H ASP B 88 12.879 8.501 9.034 1.00 0.00 H new ATOM 0 HA ASP B 88 15.755 8.852 9.291 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.276 8.283 11.200 1.00 0.00 H new ATOM 0 HB3 ASP B 88 13.769 6.819 10.382 1.00 0.00 H new ATOM 1430 N ILE B 89 14.531 6.865 7.158 1.00 0.00 N ATOM 1431 CA ILE B 89 14.789 5.856 6.147 1.00 0.00 C ATOM 1432 C ILE B 89 14.889 6.497 4.770 1.00 0.00 C ATOM 1433 O ILE B 89 14.098 7.379 4.430 1.00 0.00 O ATOM 1434 CB ILE B 89 13.670 4.791 6.142 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.547 4.157 7.531 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.938 3.722 5.088 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.459 3.113 7.628 1.00 0.00 C ATOM 0 H ILE B 89 13.657 7.375 7.029 1.00 0.00 H new ATOM 0 HA ILE B 89 15.736 5.373 6.386 1.00 0.00 H new ATOM 0 HB ILE B 89 12.729 5.280 5.891 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.500 3.701 7.798 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.352 4.941 8.263 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.136 2.985 5.105 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.983 4.186 4.103 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.887 3.230 5.301 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.432 2.709 8.640 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.497 3.567 7.393 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.663 2.308 6.921 1.00 0.00 H new ATOM 1449 N VAL B 90 15.871 6.075 3.991 1.00 0.00 N ATOM 1450 CA VAL B 90 16.019 6.560 2.626 1.00 0.00 C ATOM 1451 C VAL B 90 15.189 5.698 1.678 1.00 0.00 C ATOM 1452 O VAL B 90 15.437 4.502 1.527 1.00 0.00 O ATOM 1453 CB VAL B 90 17.504 6.593 2.178 1.00 0.00 C ATOM 1454 CG1 VAL B 90 18.186 5.252 2.404 1.00 0.00 C ATOM 1455 CG2 VAL B 90 17.618 7.012 0.719 1.00 0.00 C ATOM 0 H VAL B 90 16.578 5.398 4.279 1.00 0.00 H new ATOM 0 HA VAL B 90 15.654 7.586 2.594 1.00 0.00 H new ATOM 0 HB VAL B 90 18.016 7.333 2.793 1.00 0.00 H new ATOM 0 HG11 VAL B 90 19.225 5.313 2.079 1.00 0.00 H new ATOM 0 HG12 VAL B 90 18.152 5.000 3.464 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.671 4.481 1.831 1.00 0.00 H new ATOM 0 HG21 VAL B 90 18.668 7.028 0.426 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.078 6.302 0.093 1.00 0.00 H new ATOM 0 HG23 VAL B 90 17.190 8.006 0.592 1.00 0.00 H new ATOM 1465 N VAL B 91 14.183 6.297 1.065 1.00 0.00 N ATOM 1466 CA VAL B 91 13.256 5.553 0.228 1.00 0.00 C ATOM 1467 C VAL B 91 13.209 6.122 -1.185 1.00 0.00 C ATOM 1468 O VAL B 91 13.174 7.335 -1.380 1.00 0.00 O ATOM 1469 CB VAL B 91 11.835 5.557 0.835 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.887 4.722 -0.004 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.856 5.060 2.275 1.00 0.00 C ATOM 0 H VAL B 91 13.987 7.296 1.131 1.00 0.00 H new ATOM 0 HA VAL B 91 13.618 4.526 0.180 1.00 0.00 H new ATOM 0 HB VAL B 91 11.474 6.586 0.836 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.893 4.740 0.443 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.838 5.131 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.247 3.694 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.844 5.073 2.679 1.00 0.00 H new ATOM 0 HG22 VAL B 91 12.245 4.042 2.303 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.494 5.709 2.875 1.00 0.00 H new ATOM 1481 N ASN B 92 13.224 5.228 -2.160 1.00 0.00 N ATOM 1482 CA ASN B 92 13.150 5.599 -3.568 1.00 0.00 C ATOM 1483 C ASN B 92 12.270 4.618 -4.316 1.00 0.00 C ATOM 1484 O ASN B 92 12.000 3.523 -3.826 1.00 0.00 O ATOM 1485 CB ASN B 92 14.536 5.636 -4.214 1.00 0.00 C ATOM 1486 CG ASN B 92 15.589 4.902 -3.409 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.577 3.585 -3.495 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.372 5.512 -2.679 1.00 0.00 N flip ATOM 0 H ASN B 92 13.288 4.223 -2.000 1.00 0.00 H new ATOM 0 HA ASN B 92 12.721 6.600 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.478 5.197 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.843 6.674 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.347 6.531 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.045 4.998 -2.111 1.00 0.00 H new ATOM 1495 N ALA B 93 11.858 5.001 -5.515 1.00 0.00 N ATOM 1496 CA ALA B 93 10.948 4.198 -6.326 1.00 0.00 C ATOM 1497 C ALA B 93 11.547 2.839 -6.664 1.00 0.00 C ATOM 1498 O ALA B 93 10.826 1.873 -6.919 1.00 0.00 O ATOM 1499 CB ALA B 93 10.598 4.957 -7.593 1.00 0.00 C ATOM 0 H ALA B 93 12.143 5.876 -5.955 1.00 0.00 H new ATOM 0 HA ALA B 93 10.042 4.016 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.918 4.358 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.117 5.899 -7.331 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.507 5.159 -8.159 1.00 0.00 H new ATOM 1505 N ALA B 94 12.867 2.767 -6.637 1.00 0.00 N ATOM 1506 CA ALA B 94 13.578 1.533 -6.960 1.00 0.00 C ATOM 1507 C ALA B 94 13.655 0.621 -5.745 1.00 0.00 C ATOM 1508 O ALA B 94 14.012 -0.552 -5.849 1.00 0.00 O ATOM 1509 CB ALA B 94 14.977 1.845 -7.464 1.00 0.00 C ATOM 0 H ALA B 94 13.474 3.550 -6.394 1.00 0.00 H new ATOM 0 HA ALA B 94 13.025 1.018 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.494 0.915 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.912 2.462 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.530 2.382 -6.693 1.00 0.00 H new ATOM 1515 N ASP B 95 13.314 1.174 -4.596 1.00 0.00 N ATOM 1516 CA ASP B 95 13.382 0.446 -3.333 1.00 0.00 C ATOM 1517 C ASP B 95 11.980 0.044 -2.911 1.00 0.00 C ATOM 1518 O ASP B 95 11.776 -0.924 -2.183 1.00 0.00 O ATOM 1519 CB ASP B 95 14.016 1.344 -2.272 1.00 0.00 C ATOM 1520 CG ASP B 95 14.600 0.588 -1.100 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.260 -0.448 -1.319 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.444 1.059 0.042 1.00 0.00 O ATOM 0 H ASP B 95 12.983 2.135 -4.507 1.00 0.00 H new ATOM 0 HA ASP B 95 13.988 -0.452 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.802 1.939 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.264 2.042 -1.904 1.00 0.00 H new ATOM 1527 N ILE B 96 11.018 0.805 -3.402 1.00 0.00 N ATOM 1528 CA ILE B 96 9.612 0.594 -3.108 1.00 0.00 C ATOM 1529 C ILE B 96 9.041 -0.555 -3.935 1.00 0.00 C ATOM 1530 O ILE B 96 9.024 -0.503 -5.167 1.00 0.00 O ATOM 1531 CB ILE B 96 8.828 1.884 -3.405 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.256 2.991 -2.451 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.329 1.651 -3.302 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.867 4.368 -2.930 1.00 0.00 C ATOM 0 H ILE B 96 11.193 1.595 -4.023 1.00 0.00 H new ATOM 0 HA ILE B 96 9.517 0.334 -2.054 1.00 0.00 H new ATOM 0 HB ILE B 96 9.053 2.189 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.808 2.813 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.337 2.951 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.801 2.580 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE B 96 7.029 0.888 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.081 1.317 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.200 5.112 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.336 4.564 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.784 4.424 -3.035 1.00 0.00 H new ATOM 1546 N LYS B 97 8.591 -1.595 -3.252 1.00 0.00 N ATOM 1547 CA LYS B 97 7.994 -2.748 -3.909 1.00 0.00 C ATOM 1548 C LYS B 97 6.508 -2.822 -3.582 1.00 0.00 C ATOM 1549 O LYS B 97 6.130 -3.132 -2.451 1.00 0.00 O ATOM 1550 CB LYS B 97 8.688 -4.038 -3.458 1.00 0.00 C ATOM 1551 CG LYS B 97 10.212 -3.969 -3.481 1.00 0.00 C ATOM 1552 CD LYS B 97 10.751 -3.572 -4.853 1.00 0.00 C ATOM 1553 CE LYS B 97 10.317 -4.547 -5.938 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.888 -4.198 -7.264 1.00 0.00 N ATOM 0 H LYS B 97 8.628 -1.665 -2.235 1.00 0.00 H new ATOM 0 HA LYS B 97 8.120 -2.638 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.362 -4.278 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.363 -4.856 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.553 -3.249 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.622 -4.938 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.402 -2.571 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.840 -3.530 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.628 -5.555 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.229 -4.555 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.567 -4.888 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.571 -3.246 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 11.926 -4.215 -7.210 1.00 0.00 H new ATOM 1568 N ILE B 98 5.671 -2.519 -4.563 1.00 0.00 N ATOM 1569 CA ILE B 98 4.229 -2.525 -4.369 1.00 0.00 C ATOM 1570 C ILE B 98 3.572 -3.661 -5.155 1.00 0.00 C ATOM 1571 O ILE B 98 3.652 -3.709 -6.386 1.00 0.00 O ATOM 1572 CB ILE B 98 3.613 -1.179 -4.798 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.279 -0.035 -4.038 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.112 -1.168 -4.559 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.703 1.323 -4.361 1.00 0.00 C ATOM 0 H ILE B 98 5.967 -2.265 -5.505 1.00 0.00 H new ATOM 0 HA ILE B 98 4.043 -2.680 -3.306 1.00 0.00 H new ATOM 0 HB ILE B 98 3.786 -1.046 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.182 -0.216 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.345 -0.031 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.701 -0.207 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.646 -1.966 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.911 -1.323 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.225 2.086 -3.784 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.824 1.526 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.643 1.338 -4.107 1.00 0.00 H new ATOM 1587 N PHE B 99 2.930 -4.571 -4.432 1.00 0.00 N ATOM 1588 CA PHE B 99 2.255 -5.710 -5.036 1.00 0.00 C ATOM 1589 C PHE B 99 0.855 -5.862 -4.456 1.00 0.00 C ATOM 1590 O PHE B 99 0.684 -6.011 -3.247 1.00 0.00 O ATOM 1591 CB PHE B 99 3.046 -7.000 -4.803 1.00 0.00 C ATOM 1592 CG PHE B 99 4.325 -7.095 -5.585 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.474 -6.452 -5.152 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.376 -7.833 -6.756 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.646 -6.542 -5.875 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.546 -7.927 -7.481 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.683 -7.281 -7.040 1.00 0.00 C ATOM 0 H PHE B 99 2.864 -4.539 -3.415 1.00 0.00 H new ATOM 0 HA PHE B 99 2.186 -5.529 -6.109 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.277 -7.083 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.414 -7.850 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.452 -5.875 -4.240 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.489 -8.341 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.534 -6.034 -5.529 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.572 -8.505 -8.393 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.600 -7.354 -7.606 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.142 -5.820 -5.317 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.527 -5.915 -4.877 1.00 0.00 C ATOM 1609 C HIS B 100 -2.120 -7.271 -5.234 1.00 0.00 C ATOM 1610 O HIS B 100 -2.318 -7.581 -6.406 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.373 -4.797 -5.499 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.836 -4.894 -5.176 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.796 -5.227 -6.109 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.502 -4.700 -4.011 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -5.980 -5.233 -5.536 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.834 -4.918 -4.265 1.00 0.00 N ATOM 0 H HIS B 100 -0.023 -5.721 -6.325 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.538 -5.804 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -1.997 -3.834 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.247 -4.818 -6.582 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.616 -5.436 -7.091 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.067 -4.426 -3.061 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.916 -5.459 -6.026 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.401 -8.072 -4.223 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.131 -9.309 -4.423 1.00 0.00 C ATOM 1627 C ILE B 101 -4.622 -9.000 -4.400 1.00 0.00 C ATOM 1628 O ILE B 101 -5.183 -8.675 -3.352 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.793 -10.379 -3.350 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.350 -10.864 -3.478 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.727 -11.568 -3.451 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.333 -9.952 -2.852 1.00 0.00 C ATOM 0 H ILE B 101 -2.135 -7.888 -3.256 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.837 -9.727 -5.386 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.921 -9.902 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.268 -11.849 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -1.112 -10.984 -4.535 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.467 -12.301 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.755 -11.237 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.632 -12.022 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.664 -10.371 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.383 -8.972 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.542 -9.851 -1.787 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.256 -9.073 -5.563 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.655 -8.688 -5.692 1.00 0.00 C ATOM 1646 C ARG B 102 -7.574 -9.759 -5.119 1.00 0.00 C ATOM 1647 O ARG B 102 -8.692 -9.469 -4.700 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.010 -8.405 -7.153 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.811 -9.590 -8.076 1.00 0.00 C ATOM 1650 CD ARG B 102 -7.305 -9.285 -9.475 1.00 0.00 C ATOM 1651 NE ARG B 102 -6.492 -8.267 -10.144 1.00 0.00 N ATOM 1652 CZ ARG B 102 -5.915 -8.443 -11.335 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -5.990 -9.619 -11.948 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -5.249 -7.446 -11.911 1.00 0.00 N ATOM 0 H ARG B 102 -4.824 -9.395 -6.429 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.801 -7.773 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.051 -8.085 -7.208 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.402 -7.574 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.754 -9.854 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -7.343 -10.455 -7.681 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -7.297 -10.200 -10.068 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -8.340 -8.946 -9.426 1.00 0.00 H new ATOM 0 HE ARG B 102 -6.359 -7.372 -9.673 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -6.490 -10.392 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -5.548 -9.749 -12.858 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -5.178 -6.543 -11.443 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -4.810 -7.585 -12.821 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.089 -10.993 -5.087 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.851 -12.107 -4.536 1.00 0.00 C ATOM 1670 C LYS B 103 -8.153 -11.869 -3.060 1.00 0.00 C ATOM 1671 O LYS B 103 -9.286 -12.033 -2.610 1.00 0.00 O ATOM 1672 CB LYS B 103 -7.068 -13.406 -4.710 1.00 0.00 C ATOM 1673 CG LYS B 103 -7.799 -14.643 -4.213 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.980 -15.902 -4.451 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.722 -15.928 -3.597 1.00 0.00 C ATOM 1676 NZ LYS B 103 -4.814 -17.037 -3.989 1.00 0.00 N ATOM 0 H LYS B 103 -6.166 -11.249 -5.438 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.796 -12.185 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.832 -13.537 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -6.120 -13.320 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -8.010 -14.540 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -8.759 -14.730 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -7.588 -16.779 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -6.706 -15.963 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.198 -14.977 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.997 -16.036 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -3.918 -16.952 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.261 -17.948 -3.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -4.627 -16.988 -5.011 1.00 0.00 H new ATOM 1690 N GLU B 104 -7.134 -11.459 -2.317 1.00 0.00 N ATOM 1691 CA GLU B 104 -7.287 -11.182 -0.895 1.00 0.00 C ATOM 1692 C GLU B 104 -7.619 -9.710 -0.681 1.00 0.00 C ATOM 1693 O GLU B 104 -7.826 -9.258 0.447 1.00 0.00 O ATOM 1694 CB GLU B 104 -6.004 -11.532 -0.138 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.379 -12.846 -0.574 1.00 0.00 C ATOM 1696 CD GLU B 104 -4.277 -13.307 0.352 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -4.590 -13.773 1.466 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -3.096 -13.230 -0.034 1.00 0.00 O ATOM 0 H GLU B 104 -6.191 -11.311 -2.676 1.00 0.00 H new ATOM 0 HA GLU B 104 -8.102 -11.796 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.279 -10.730 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -6.223 -11.580 0.929 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -6.152 -13.613 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.978 -12.736 -1.582 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.657 -8.975 -1.796 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.895 -7.533 -1.796 1.00 0.00 C ATOM 1707 C ARG B 105 -6.900 -6.833 -0.877 1.00 0.00 C ATOM 1708 O ARG B 105 -7.239 -5.878 -0.182 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.337 -7.221 -1.376 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.372 -7.960 -2.207 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.789 -7.605 -1.792 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.188 -6.274 -2.244 1.00 0.00 N ATOM 1713 CZ ARG B 105 -13.455 -5.864 -2.301 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -14.432 -6.663 -1.896 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -13.742 -4.652 -2.766 1.00 0.00 N ATOM 0 H ARG B 105 -7.523 -9.368 -2.728 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.751 -7.158 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.468 -7.483 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.510 -6.148 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.231 -7.719 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.221 -9.035 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -12.479 -8.345 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -11.870 -7.656 -0.706 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.457 -5.623 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -14.215 -7.594 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -15.401 -6.347 -1.941 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.992 -4.035 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -14.712 -4.339 -2.809 1.00 0.00 H new ATOM 1729 N THR B 106 -5.661 -7.309 -0.896 1.00 0.00 N ATOM 1730 CA THR B 106 -4.652 -6.844 0.035 1.00 0.00 C ATOM 1731 C THR B 106 -3.435 -6.302 -0.710 1.00 0.00 C ATOM 1732 O THR B 106 -2.936 -6.928 -1.646 1.00 0.00 O ATOM 1733 CB THR B 106 -4.227 -7.983 0.982 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.384 -8.551 1.610 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.269 -7.480 2.049 1.00 0.00 C ATOM 0 H THR B 106 -5.334 -8.020 -1.551 1.00 0.00 H new ATOM 0 HA THR B 106 -5.084 -6.036 0.626 1.00 0.00 H new ATOM 0 HB THR B 106 -3.717 -8.743 0.390 1.00 0.00 H new ATOM 0 HG1 THR B 106 -6.030 -8.819 0.924 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.986 -8.305 2.702 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.377 -7.071 1.574 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.755 -6.702 2.637 1.00 0.00 H new ATOM 1743 N LEU B 107 -2.982 -5.125 -0.311 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.828 -4.500 -0.930 1.00 0.00 C ATOM 1745 C LEU B 107 -0.596 -4.658 -0.043 1.00 0.00 C ATOM 1746 O LEU B 107 -0.555 -4.135 1.071 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.103 -3.015 -1.175 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.805 -2.515 -2.589 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.038 -1.019 -2.683 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.383 -2.852 -2.995 1.00 0.00 C ATOM 0 H LEU B 107 -3.400 -4.581 0.444 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.639 -4.991 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.151 -2.816 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -1.510 -2.432 -0.470 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.485 -3.019 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -1.821 -0.680 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.077 -0.797 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.383 -0.504 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.196 -2.486 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU B 107 0.315 -2.380 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.244 -3.933 -2.970 1.00 0.00 H new ATOM 1762 N TYR B 108 0.387 -5.397 -0.534 1.00 0.00 N ATOM 1763 CA TYR B 108 1.641 -5.582 0.181 1.00 0.00 C ATOM 1764 C TYR B 108 2.681 -4.560 -0.264 1.00 0.00 C ATOM 1765 O TYR B 108 3.025 -4.476 -1.446 1.00 0.00 O ATOM 1766 CB TYR B 108 2.176 -6.998 -0.034 1.00 0.00 C ATOM 1767 CG TYR B 108 1.314 -8.067 0.593 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.109 -8.440 0.015 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.702 -8.696 1.768 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.690 -9.403 0.591 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.910 -9.665 2.350 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.286 -10.016 1.759 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.083 -10.969 2.349 1.00 0.00 O ATOM 0 H TYR B 108 0.340 -5.881 -1.430 1.00 0.00 H new ATOM 0 HA TYR B 108 1.445 -5.434 1.243 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.257 -7.189 -1.104 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.182 -7.065 0.379 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.208 -7.967 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.637 -8.423 2.234 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.628 -9.677 0.131 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.225 -10.146 3.264 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.601 -11.434 1.660 1.00 0.00 H new ATOM 1783 N ILE B 109 3.156 -3.773 0.689 1.00 0.00 N ATOM 1784 CA ILE B 109 4.194 -2.783 0.437 1.00 0.00 C ATOM 1785 C ILE B 109 5.490 -3.201 1.123 1.00 0.00 C ATOM 1786 O ILE B 109 5.508 -3.435 2.333 1.00 0.00 O ATOM 1787 CB ILE B 109 3.787 -1.394 0.978 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.397 -0.989 0.474 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.820 -0.339 0.598 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.306 -0.833 -1.027 1.00 0.00 C ATOM 0 H ILE B 109 2.835 -3.802 1.657 1.00 0.00 H new ATOM 0 HA ILE B 109 4.334 -2.722 -0.642 1.00 0.00 H new ATOM 0 HB ILE B 109 3.747 -1.461 2.065 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.673 -1.738 0.795 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.112 -0.048 0.944 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.511 0.630 0.990 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.788 -0.609 1.020 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.900 -0.283 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.291 -0.546 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE B 109 3.003 -0.062 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.558 -1.779 -1.507 1.00 0.00 H new ATOM 1802 N TYR B 110 6.562 -3.311 0.355 1.00 0.00 N ATOM 1803 CA TYR B 110 7.867 -3.634 0.913 1.00 0.00 C ATOM 1804 C TYR B 110 8.862 -2.544 0.550 1.00 0.00 C ATOM 1805 O TYR B 110 8.975 -2.164 -0.614 1.00 0.00 O ATOM 1806 CB TYR B 110 8.373 -4.982 0.393 1.00 0.00 C ATOM 1807 CG TYR B 110 7.489 -6.163 0.731 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.400 -6.489 -0.065 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.757 -6.962 1.836 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.603 -7.577 0.229 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.963 -8.051 2.137 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.887 -8.354 1.331 1.00 0.00 C ATOM 1813 OH TYR B 110 5.100 -9.444 1.620 1.00 0.00 O ATOM 0 H TYR B 110 6.555 -3.182 -0.657 1.00 0.00 H new ATOM 0 HA TYR B 110 7.767 -3.700 1.996 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.477 -4.922 -0.690 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.368 -5.162 0.800 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.172 -5.882 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.600 -6.728 2.469 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.760 -7.818 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.184 -8.662 3.000 1.00 0.00 H new ATOM 0 HH TYR B 110 5.241 -9.711 2.552 1.00 0.00 H new ATOM 1823 N ILE B 111 9.569 -2.033 1.541 1.00 0.00 N ATOM 1824 CA ILE B 111 10.551 -0.984 1.316 1.00 0.00 C ATOM 1825 C ILE B 111 11.832 -1.316 2.062 1.00 0.00 C ATOM 1826 O ILE B 111 12.748 -1.903 1.450 1.00 0.00 O ATOM 1827 CB ILE B 111 10.037 0.403 1.772 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.713 0.742 1.076 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.079 1.477 1.479 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.098 2.046 1.537 1.00 0.00 C ATOM 1831 OXT ILE B 111 11.910 -1.023 3.270 1.00 0.00 O ATOM 0 H ILE B 111 9.482 -2.328 2.514 1.00 0.00 H new ATOM 0 HA ILE B 111 10.738 -0.934 0.243 1.00 0.00 H new ATOM 0 HB ILE B 111 9.863 0.369 2.848 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.881 0.790 0.000 1.00 0.00 H new ATOM 0 HG13 ILE B 111 8.003 -0.066 1.252 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.703 2.447 1.805 1.00 0.00 H new ATOM 0 HG22 ILE B 111 12.000 1.246 2.014 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.279 1.507 0.408 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.165 2.218 1.001 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.897 1.995 2.607 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.788 2.865 1.336 1.00 0.00 H new TER 1843 ILE B 111