USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot 87:sc= 1.25 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0.152 USER MOD Set 1.3: A 93 GLN : amide:sc= -1.57! C(o=-0.17!,f=-5.2!) USER MOD Set 2.1: A 31 TYR OH : rot -89:sc= 0.699 USER MOD Set 2.2: A 82 TYR OH : rot 100:sc= 1.3 USER MOD Set 3.1: A 9 ASN : amide:sc= -0.0291 K(o=0.15,f=-0.55) USER MOD Set 3.2: A 19 SER OG : rot 69:sc= 0.183 USER MOD Set 4.1: A 14 LYS NZ :NH3+ -173:sc= 1.3 (180deg=0) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.05 K(o=2.3,f=-8.4!) USER MOD Set 5.1: A 8 ASN : amide:sc= 0.687 K(o=1.5,f=0.42) USER MOD Set 5.2: A 10 THR OG1 : rot -29:sc= 0.773 USER MOD Single : A 1 LYS N :NH3+ 180:sc= -0.243 (180deg=-0.243) USER MOD Single : A 1 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00512) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0141 (180deg=-0.191) USER MOD Single : A 15 THR OG1 : rot -160:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 170:sc= 0.00949 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 32 GLN : amide:sc= 0.592 K(o=0.59,f=-3.6!) USER MOD Single : A 34 SER OG : rot 20:sc= 0.819 USER MOD Single : A 37 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 41 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0.713 (180deg=0.179) USER MOD Single : A 57 THR OG1 : rot 110:sc= -2.18! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.111) USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= -0.103 (180deg=-0.698) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -177:sc= -1.27 (180deg=-1.33) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0467) USER MOD Single : A 81 GLN : amide:sc= 0.232 X(o=0.23,f=-0.069) USER MOD Single : A 84 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 87 MET CE :methyl -169:sc= -2.52! (180deg=-2.92!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.347 F(o=-2.7!,f=-0.35) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 175:sc= -5.19! (180deg=-5.74!) USER MOD Single : A 99 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.9!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.432 K(o=-0.43,f=-4!) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0.022) USER MOD Single : A 118 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.529 6.189 -23.272 1.00 0.00 N ATOM 2 CA LYS A 1 -12.269 7.403 -24.081 1.00 0.00 C ATOM 3 C LYS A 1 -12.980 8.628 -23.503 1.00 0.00 C ATOM 4 O LYS A 1 -12.671 9.764 -23.871 1.00 0.00 O ATOM 5 CB LYS A 1 -12.686 7.175 -25.540 1.00 0.00 C ATOM 6 CG LYS A 1 -14.058 6.545 -25.709 1.00 0.00 C ATOM 7 CD LYS A 1 -14.388 6.334 -27.179 1.00 0.00 C ATOM 8 CE LYS A 1 -15.664 5.526 -27.369 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.857 6.206 -26.802 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.032 5.378 -23.693 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.187 6.339 -22.301 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.551 5.997 -23.253 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.197 7.599 -24.049 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.672 8.131 -26.063 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.945 6.537 -26.022 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.089 5.589 -25.186 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.814 7.184 -25.252 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.496 7.302 -27.668 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.559 5.821 -27.666 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.822 5.348 -28.433 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.547 4.551 -26.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.704 5.632 -26.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.735 6.323 -25.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.968 7.140 -27.246 1.00 0.00 H new ATOM 25 N SER A 2 -13.932 8.406 -22.605 1.00 0.00 N ATOM 26 CA SER A 2 -14.578 9.506 -21.902 1.00 0.00 C ATOM 27 C SER A 2 -13.724 9.946 -20.723 1.00 0.00 C ATOM 28 O SER A 2 -12.949 9.155 -20.184 1.00 0.00 O ATOM 29 CB SER A 2 -15.966 9.087 -21.414 1.00 0.00 C ATOM 30 OG SER A 2 -16.824 8.803 -22.504 1.00 0.00 O ATOM 0 H SER A 2 -14.272 7.479 -22.348 1.00 0.00 H new ATOM 0 HA SER A 2 -14.688 10.342 -22.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.881 8.208 -20.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.397 9.882 -20.805 1.00 0.00 H new ATOM 0 HG SER A 2 -17.704 8.536 -22.166 1.00 0.00 H new ATOM 36 N VAL A 3 -13.853 11.207 -20.331 1.00 0.00 N ATOM 37 CA VAL A 3 -13.150 11.706 -19.158 1.00 0.00 C ATOM 38 C VAL A 3 -13.650 10.978 -17.918 1.00 0.00 C ATOM 39 O VAL A 3 -12.864 10.486 -17.106 1.00 0.00 O ATOM 40 CB VAL A 3 -13.341 13.229 -18.975 1.00 0.00 C ATOM 41 CG1 VAL A 3 -12.601 13.721 -17.740 1.00 0.00 C ATOM 42 CG2 VAL A 3 -12.868 13.976 -20.212 1.00 0.00 C ATOM 0 H VAL A 3 -14.434 11.898 -20.805 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.086 11.519 -19.303 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.404 13.426 -18.836 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.749 14.795 -17.631 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.986 13.210 -16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.537 13.511 -17.846 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.009 15.047 -20.067 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.811 13.769 -20.380 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.444 13.648 -21.077 1.00 0.00 H new ATOM 52 N GLN A 4 -14.967 10.894 -17.798 1.00 0.00 N ATOM 53 CA GLN A 4 -15.599 10.186 -16.697 1.00 0.00 C ATOM 54 C GLN A 4 -16.748 9.335 -17.220 1.00 0.00 C ATOM 55 O GLN A 4 -17.646 9.838 -17.897 1.00 0.00 O ATOM 56 CB GLN A 4 -16.113 11.171 -15.644 1.00 0.00 C ATOM 57 CG GLN A 4 -15.020 12.037 -15.043 1.00 0.00 C ATOM 58 CD GLN A 4 -15.532 12.952 -13.951 1.00 0.00 C ATOM 59 OE1 GLN A 4 -16.685 13.387 -13.970 1.00 0.00 O ATOM 60 NE2 GLN A 4 -14.677 13.244 -12.985 1.00 0.00 N ATOM 0 H GLN A 4 -15.623 11.312 -18.457 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.857 9.539 -16.229 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.868 11.814 -16.097 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.605 10.614 -14.846 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.237 11.397 -14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.564 12.638 -15.830 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.731 12.862 -13.008 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.963 13.851 -12.217 1.00 0.00 H new ATOM 69 N GLU A 5 -16.705 8.044 -16.925 1.00 0.00 N ATOM 70 CA GLU A 5 -17.744 7.124 -17.366 1.00 0.00 C ATOM 71 C GLU A 5 -18.783 6.938 -16.261 1.00 0.00 C ATOM 72 O GLU A 5 -18.838 7.728 -15.319 1.00 0.00 O ATOM 73 CB GLU A 5 -17.122 5.782 -17.767 1.00 0.00 C ATOM 74 CG GLU A 5 -16.056 5.917 -18.847 1.00 0.00 C ATOM 75 CD GLU A 5 -15.506 4.584 -19.312 1.00 0.00 C ATOM 76 OE1 GLU A 5 -14.773 3.934 -18.541 1.00 0.00 O ATOM 77 OE2 GLU A 5 -15.803 4.181 -20.457 1.00 0.00 O ATOM 0 H GLU A 5 -15.960 7.609 -16.381 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.246 7.542 -18.239 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.681 5.315 -16.886 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.908 5.115 -18.122 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.478 6.446 -19.701 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.237 6.528 -18.466 1.00 0.00 H new ATOM 84 N LYS A 6 -19.590 5.887 -16.361 1.00 0.00 N ATOM 85 CA LYS A 6 -20.673 5.657 -15.406 1.00 0.00 C ATOM 86 C LYS A 6 -20.172 4.887 -14.185 1.00 0.00 C ATOM 87 O LYS A 6 -20.926 4.165 -13.535 1.00 0.00 O ATOM 88 CB LYS A 6 -21.817 4.888 -16.074 1.00 0.00 C ATOM 89 CG LYS A 6 -22.393 5.586 -17.295 1.00 0.00 C ATOM 90 CD LYS A 6 -23.646 4.889 -17.797 1.00 0.00 C ATOM 91 CE LYS A 6 -24.146 5.497 -19.097 1.00 0.00 C ATOM 92 NZ LYS A 6 -23.212 5.239 -20.225 1.00 0.00 N ATOM 0 H LYS A 6 -19.516 5.180 -17.093 1.00 0.00 H new ATOM 0 HA LYS A 6 -21.041 6.628 -15.074 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -21.457 3.902 -16.367 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.613 4.734 -15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.626 6.621 -17.047 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.646 5.609 -18.088 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.438 3.830 -17.947 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -24.427 4.956 -17.040 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -25.127 5.086 -19.336 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.273 6.572 -18.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.681 5.470 -21.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -22.363 5.830 -20.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.937 4.236 -20.226 1.00 0.00 H new ATOM 106 N ARG A 7 -18.898 5.068 -13.872 1.00 0.00 N ATOM 107 CA ARG A 7 -18.277 4.388 -12.743 1.00 0.00 C ATOM 108 C ARG A 7 -18.259 5.307 -11.527 1.00 0.00 C ATOM 109 O ARG A 7 -18.681 6.464 -11.609 1.00 0.00 O ATOM 110 CB ARG A 7 -16.851 3.973 -13.104 1.00 0.00 C ATOM 111 CG ARG A 7 -16.739 3.354 -14.486 1.00 0.00 C ATOM 112 CD ARG A 7 -15.315 2.945 -14.814 1.00 0.00 C ATOM 113 NE ARG A 7 -15.176 2.597 -16.224 1.00 0.00 N ATOM 114 CZ ARG A 7 -15.146 1.354 -16.695 1.00 0.00 C ATOM 115 NH1 ARG A 7 -15.173 0.313 -15.869 1.00 0.00 N ATOM 116 NH2 ARG A 7 -15.069 1.159 -18.002 1.00 0.00 N ATOM 0 H ARG A 7 -18.269 5.684 -14.387 1.00 0.00 H new ATOM 0 HA ARG A 7 -18.856 3.496 -12.505 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.201 4.846 -13.051 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.489 3.260 -12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.389 2.481 -14.546 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.092 4.066 -15.232 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -14.634 3.761 -14.570 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.027 2.094 -14.197 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.096 3.361 -16.895 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.217 0.463 -14.861 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.150 -0.636 -16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -15.033 1.958 -18.636 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.045 0.210 -18.376 1.00 0.00 H new ATOM 130 N ASN A 8 -17.774 4.795 -10.406 1.00 0.00 N ATOM 131 CA ASN A 8 -17.669 5.590 -9.187 1.00 0.00 C ATOM 132 C ASN A 8 -16.391 5.249 -8.438 1.00 0.00 C ATOM 133 O ASN A 8 -16.262 4.161 -7.870 1.00 0.00 O ATOM 134 CB ASN A 8 -18.883 5.364 -8.279 1.00 0.00 C ATOM 135 CG ASN A 8 -18.776 6.120 -6.963 1.00 0.00 C ATOM 136 OD1 ASN A 8 -18.279 5.591 -5.965 1.00 0.00 O ATOM 137 ND2 ASN A 8 -19.245 7.360 -6.949 1.00 0.00 N ATOM 0 H ASN A 8 -17.447 3.834 -10.313 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.642 6.641 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -19.787 5.677 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.986 4.298 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.202 7.912 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.649 7.762 -7.795 1.00 0.00 H new ATOM 144 N ASN A 9 -15.438 6.168 -8.461 1.00 0.00 N ATOM 145 CA ASN A 9 -14.199 5.999 -7.719 1.00 0.00 C ATOM 146 C ASN A 9 -14.450 6.199 -6.230 1.00 0.00 C ATOM 147 O ASN A 9 -14.379 7.317 -5.715 1.00 0.00 O ATOM 148 CB ASN A 9 -13.125 6.974 -8.216 1.00 0.00 C ATOM 149 CG ASN A 9 -11.790 6.782 -7.516 1.00 0.00 C ATOM 150 OD1 ASN A 9 -10.957 5.987 -7.948 1.00 0.00 O ATOM 151 ND2 ASN A 9 -11.572 7.513 -6.431 1.00 0.00 N ATOM 0 H ASN A 9 -15.500 7.040 -8.987 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.836 4.985 -7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.990 6.843 -9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.468 7.997 -8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.690 7.426 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.286 8.162 -6.102 1.00 0.00 H new ATOM 158 N THR A 10 -14.789 5.112 -5.558 1.00 0.00 N ATOM 159 CA THR A 10 -15.043 5.140 -4.133 1.00 0.00 C ATOM 160 C THR A 10 -13.731 5.303 -3.372 1.00 0.00 C ATOM 161 O THR A 10 -12.724 4.687 -3.720 1.00 0.00 O ATOM 162 CB THR A 10 -15.748 3.844 -3.685 1.00 0.00 C ATOM 163 OG1 THR A 10 -16.840 3.554 -4.575 1.00 0.00 O ATOM 164 CG2 THR A 10 -16.274 3.968 -2.261 1.00 0.00 C ATOM 0 H THR A 10 -14.895 4.191 -5.984 1.00 0.00 H new ATOM 0 HA THR A 10 -15.693 5.987 -3.914 1.00 0.00 H new ATOM 0 HB THR A 10 -15.020 3.034 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.192 4.391 -4.944 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.766 3.039 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.444 4.165 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.989 4.789 -2.207 1.00 0.00 H new ATOM 172 N ARG A 11 -13.749 6.132 -2.338 1.00 0.00 N ATOM 173 CA ARG A 11 -12.555 6.425 -1.553 1.00 0.00 C ATOM 174 C ARG A 11 -12.207 5.294 -0.581 1.00 0.00 C ATOM 175 O ARG A 11 -11.712 5.537 0.516 1.00 0.00 O ATOM 176 CB ARG A 11 -12.741 7.742 -0.794 1.00 0.00 C ATOM 177 CG ARG A 11 -12.678 8.965 -1.695 1.00 0.00 C ATOM 178 CD ARG A 11 -12.937 10.251 -0.926 1.00 0.00 C ATOM 179 NE ARG A 11 -12.578 11.437 -1.708 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.372 12.494 -1.878 1.00 0.00 C ATOM 181 NH1 ARG A 11 -14.598 12.502 -1.366 1.00 0.00 N ATOM 182 NH2 ARG A 11 -12.942 13.534 -2.581 1.00 0.00 N ATOM 0 H ARG A 11 -14.587 6.619 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.720 6.518 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.702 7.726 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.971 7.824 -0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.698 9.017 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.413 8.866 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.990 10.303 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.365 10.241 0.002 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.660 11.455 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.936 11.696 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.201 13.314 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.007 13.522 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.546 14.345 -2.714 1.00 0.00 H new ATOM 196 N ALA A 12 -12.438 4.059 -1.004 1.00 0.00 N ATOM 197 CA ALA A 12 -12.024 2.902 -0.230 1.00 0.00 C ATOM 198 C ALA A 12 -10.645 2.461 -0.698 1.00 0.00 C ATOM 199 O ALA A 12 -10.308 2.639 -1.868 1.00 0.00 O ATOM 200 CB ALA A 12 -13.026 1.767 -0.368 1.00 0.00 C ATOM 0 H ALA A 12 -12.910 3.835 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.981 3.174 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.692 0.913 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.001 2.097 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.105 1.476 -1.416 1.00 0.00 H new ATOM 206 N PHE A 13 -9.857 1.890 0.202 1.00 0.00 N ATOM 207 CA PHE A 13 -8.476 1.536 -0.107 1.00 0.00 C ATOM 208 C PHE A 13 -8.391 0.612 -1.319 1.00 0.00 C ATOM 209 O PHE A 13 -7.607 0.859 -2.229 1.00 0.00 O ATOM 210 CB PHE A 13 -7.800 0.883 1.097 1.00 0.00 C ATOM 211 CG PHE A 13 -6.311 0.755 0.942 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.473 1.790 1.325 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.749 -0.393 0.406 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.103 1.682 1.177 1.00 0.00 C ATOM 215 CE2 PHE A 13 -4.380 -0.506 0.255 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.557 0.532 0.641 1.00 0.00 C ATOM 0 H PHE A 13 -10.149 1.661 1.152 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.951 2.461 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.017 1.470 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.229 -0.107 1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.895 2.691 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.388 -1.209 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.460 2.495 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.955 -1.406 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.487 0.445 0.524 1.00 0.00 H new ATOM 226 N LYS A 14 -9.206 -0.440 -1.334 1.00 0.00 N ATOM 227 CA LYS A 14 -9.183 -1.411 -2.429 1.00 0.00 C ATOM 228 C LYS A 14 -9.470 -0.740 -3.775 1.00 0.00 C ATOM 229 O LYS A 14 -8.824 -1.040 -4.785 1.00 0.00 O ATOM 230 CB LYS A 14 -10.196 -2.537 -2.170 1.00 0.00 C ATOM 231 CG LYS A 14 -11.635 -2.061 -2.011 1.00 0.00 C ATOM 232 CD LYS A 14 -12.588 -3.226 -1.781 1.00 0.00 C ATOM 233 CE LYS A 14 -14.032 -2.755 -1.679 1.00 0.00 C ATOM 234 NZ LYS A 14 -14.980 -3.888 -1.499 1.00 0.00 N ATOM 0 H LYS A 14 -9.889 -0.643 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.182 -1.839 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.150 -3.248 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.902 -3.075 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.699 -1.367 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.938 -1.513 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.494 -3.941 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.310 -3.750 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.129 -2.065 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.297 -2.201 -2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.957 -3.535 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.824 -4.593 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.822 -4.329 -0.570 1.00 0.00 H new ATOM 248 N THR A 15 -10.421 0.181 -3.777 1.00 0.00 N ATOM 249 CA THR A 15 -10.826 0.864 -4.990 1.00 0.00 C ATOM 250 C THR A 15 -9.746 1.840 -5.445 1.00 0.00 C ATOM 251 O THR A 15 -9.330 1.835 -6.603 1.00 0.00 O ATOM 252 CB THR A 15 -12.140 1.628 -4.757 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.043 0.808 -3.998 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.788 2.013 -6.078 1.00 0.00 C ATOM 0 H THR A 15 -10.929 0.473 -2.942 1.00 0.00 H new ATOM 0 HA THR A 15 -10.976 0.114 -5.767 1.00 0.00 H new ATOM 0 HB THR A 15 -11.916 2.541 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.959 1.136 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.715 2.552 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.109 2.650 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.005 1.113 -6.653 1.00 0.00 H new ATOM 262 N VAL A 16 -9.278 2.651 -4.510 1.00 0.00 N ATOM 263 CA VAL A 16 -8.302 3.685 -4.806 1.00 0.00 C ATOM 264 C VAL A 16 -6.944 3.088 -5.160 1.00 0.00 C ATOM 265 O VAL A 16 -6.248 3.601 -6.034 1.00 0.00 O ATOM 266 CB VAL A 16 -8.174 4.665 -3.625 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.041 5.657 -3.848 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.492 5.392 -3.430 1.00 0.00 C ATOM 0 H VAL A 16 -9.562 2.611 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.658 4.236 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.936 4.098 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.978 6.334 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.100 5.117 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.233 6.231 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.404 6.086 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.740 5.944 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.279 4.668 -3.219 1.00 0.00 H new ATOM 278 N ALA A 17 -6.576 1.998 -4.497 1.00 0.00 N ATOM 279 CA ALA A 17 -5.337 1.303 -4.820 1.00 0.00 C ATOM 280 C ALA A 17 -5.387 0.763 -6.243 1.00 0.00 C ATOM 281 O ALA A 17 -4.390 0.787 -6.962 1.00 0.00 O ATOM 282 CB ALA A 17 -5.070 0.176 -3.834 1.00 0.00 C ATOM 0 H ALA A 17 -7.114 1.579 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.518 2.019 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.139 -0.326 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.988 0.585 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.891 -0.540 -3.869 1.00 0.00 H new ATOM 288 N LYS A 18 -6.560 0.287 -6.649 1.00 0.00 N ATOM 289 CA LYS A 18 -6.754 -0.199 -8.009 1.00 0.00 C ATOM 290 C LYS A 18 -6.640 0.946 -9.015 1.00 0.00 C ATOM 291 O LYS A 18 -6.003 0.803 -10.061 1.00 0.00 O ATOM 292 CB LYS A 18 -8.112 -0.893 -8.131 1.00 0.00 C ATOM 293 CG LYS A 18 -8.410 -1.432 -9.518 1.00 0.00 C ATOM 294 CD LYS A 18 -9.615 -2.351 -9.490 1.00 0.00 C ATOM 295 CE LYS A 18 -10.000 -2.821 -10.881 1.00 0.00 C ATOM 296 NZ LYS A 18 -11.012 -3.907 -10.828 1.00 0.00 N ATOM 0 H LYS A 18 -7.388 0.228 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.971 -0.923 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.153 -1.715 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.895 -0.188 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.594 -0.604 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.543 -1.973 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.398 -3.215 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.458 -1.830 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.395 -1.982 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.112 -3.175 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.253 -4.205 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.625 -4.717 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.868 -3.561 -10.349 1.00 0.00 H new ATOM 310 N SER A 19 -7.252 2.078 -8.690 1.00 0.00 N ATOM 311 CA SER A 19 -7.152 3.269 -9.522 1.00 0.00 C ATOM 312 C SER A 19 -5.705 3.756 -9.580 1.00 0.00 C ATOM 313 O SER A 19 -5.215 4.157 -10.636 1.00 0.00 O ATOM 314 CB SER A 19 -8.066 4.369 -8.982 1.00 0.00 C ATOM 315 OG SER A 19 -9.410 3.925 -8.918 1.00 0.00 O ATOM 0 H SER A 19 -7.824 2.196 -7.854 1.00 0.00 H new ATOM 0 HA SER A 19 -7.472 3.018 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.731 4.671 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.000 5.249 -9.622 1.00 0.00 H new ATOM 0 HG SER A 19 -9.496 3.240 -8.222 1.00 0.00 H new ATOM 321 N TRP A 20 -5.031 3.702 -8.440 1.00 0.00 N ATOM 322 CA TRP A 20 -3.621 4.059 -8.347 1.00 0.00 C ATOM 323 C TRP A 20 -2.788 3.170 -9.265 1.00 0.00 C ATOM 324 O TRP A 20 -1.953 3.655 -10.027 1.00 0.00 O ATOM 325 CB TRP A 20 -3.150 3.925 -6.893 1.00 0.00 C ATOM 326 CG TRP A 20 -1.674 4.115 -6.703 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.004 5.299 -6.604 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.687 3.082 -6.575 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.339 5.068 -6.429 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.558 3.713 -6.409 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.740 1.683 -6.589 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.742 2.993 -6.255 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.435 0.971 -6.437 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.661 1.627 -6.272 1.00 0.00 C ATOM 0 H TRP A 20 -5.445 3.410 -7.554 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.492 5.093 -8.666 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.680 4.656 -6.283 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.428 2.938 -6.522 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.462 6.276 -6.656 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.056 5.786 -6.330 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.682 1.170 -6.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.689 3.495 -6.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.407 -0.109 -6.446 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.562 1.043 -6.156 1.00 0.00 H new ATOM 345 N PHE A 21 -3.047 1.871 -9.200 1.00 0.00 N ATOM 346 CA PHE A 21 -2.340 0.886 -10.016 1.00 0.00 C ATOM 347 C PHE A 21 -2.563 1.138 -11.509 1.00 0.00 C ATOM 348 O PHE A 21 -1.660 0.947 -12.323 1.00 0.00 O ATOM 349 CB PHE A 21 -2.816 -0.521 -9.632 1.00 0.00 C ATOM 350 CG PHE A 21 -2.158 -1.637 -10.395 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.854 -2.011 -10.117 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.854 -2.326 -11.377 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.256 -3.050 -10.805 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.260 -3.363 -12.068 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.960 -3.726 -11.782 1.00 0.00 C ATOM 0 H PHE A 21 -3.751 1.468 -8.582 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.270 0.975 -9.826 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.637 -0.672 -8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.893 -0.580 -9.786 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.298 -1.485 -9.355 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.873 -2.048 -11.604 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.761 -3.333 -10.579 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.813 -3.890 -12.832 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.494 -4.537 -12.321 1.00 0.00 H new ATOM 365 N ALA A 22 -3.765 1.576 -11.861 1.00 0.00 N ATOM 366 CA ALA A 22 -4.101 1.849 -13.253 1.00 0.00 C ATOM 367 C ALA A 22 -3.564 3.210 -13.700 1.00 0.00 C ATOM 368 O ALA A 22 -3.412 3.468 -14.895 1.00 0.00 O ATOM 369 CB ALA A 22 -5.607 1.781 -13.449 1.00 0.00 C ATOM 0 H ALA A 22 -4.524 1.750 -11.202 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.627 1.087 -13.872 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.848 1.986 -14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.964 0.786 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.091 2.522 -12.812 1.00 0.00 H new ATOM 375 N THR A 23 -3.281 4.073 -12.739 1.00 0.00 N ATOM 376 CA THR A 23 -2.796 5.411 -13.037 1.00 0.00 C ATOM 377 C THR A 23 -1.269 5.444 -13.065 1.00 0.00 C ATOM 378 O THR A 23 -0.664 5.919 -14.028 1.00 0.00 O ATOM 379 CB THR A 23 -3.311 6.436 -12.003 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.741 6.375 -11.927 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.886 7.851 -12.373 1.00 0.00 C ATOM 0 H THR A 23 -3.379 3.871 -11.744 1.00 0.00 H new ATOM 0 HA THR A 23 -3.178 5.681 -14.021 1.00 0.00 H new ATOM 0 HB THR A 23 -2.877 6.185 -11.035 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.005 5.684 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.263 8.551 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.798 7.907 -12.406 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.293 8.109 -13.351 1.00 0.00 H new ATOM 389 N LYS A 24 -0.653 4.923 -12.015 1.00 0.00 N ATOM 390 CA LYS A 24 0.790 4.966 -11.880 1.00 0.00 C ATOM 391 C LYS A 24 1.442 3.787 -12.591 1.00 0.00 C ATOM 392 O LYS A 24 1.142 2.627 -12.315 1.00 0.00 O ATOM 393 CB LYS A 24 1.187 4.994 -10.403 1.00 0.00 C ATOM 394 CG LYS A 24 2.689 4.937 -10.181 1.00 0.00 C ATOM 395 CD LYS A 24 3.069 5.385 -8.779 1.00 0.00 C ATOM 396 CE LYS A 24 4.576 5.387 -8.588 1.00 0.00 C ATOM 397 NZ LYS A 24 4.976 6.012 -7.300 1.00 0.00 N ATOM 0 H LYS A 24 -1.135 4.464 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 24 1.148 5.881 -12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.794 5.902 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.719 4.152 -9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.043 3.919 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.189 5.571 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.676 6.385 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.609 4.722 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.947 4.363 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.045 5.925 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.012 5.992 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.645 6.998 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.551 5.484 -6.511 1.00 0.00 H new ATOM 411 N THR A 25 2.339 4.103 -13.508 1.00 0.00 N ATOM 412 CA THR A 25 3.044 3.096 -14.279 1.00 0.00 C ATOM 413 C THR A 25 4.515 3.469 -14.425 1.00 0.00 C ATOM 414 O THR A 25 4.994 3.762 -15.520 1.00 0.00 O ATOM 415 CB THR A 25 2.404 2.915 -15.668 1.00 0.00 C ATOM 416 OG1 THR A 25 1.792 4.147 -16.084 1.00 0.00 O ATOM 417 CG2 THR A 25 1.362 1.808 -15.650 1.00 0.00 C ATOM 0 H THR A 25 2.598 5.062 -13.738 1.00 0.00 H new ATOM 0 HA THR A 25 2.971 2.150 -13.742 1.00 0.00 H new ATOM 0 HB THR A 25 3.188 2.637 -16.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.387 4.029 -16.969 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.926 1.702 -16.644 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.833 0.869 -15.358 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.578 2.058 -14.935 1.00 0.00 H new ATOM 425 N THR A 26 5.215 3.492 -13.301 1.00 0.00 N ATOM 426 CA THR A 26 6.627 3.840 -13.284 1.00 0.00 C ATOM 427 C THR A 26 7.502 2.593 -13.230 1.00 0.00 C ATOM 428 O THR A 26 8.731 2.675 -13.276 1.00 0.00 O ATOM 429 CB THR A 26 6.948 4.742 -12.082 1.00 0.00 C ATOM 430 OG1 THR A 26 6.377 4.181 -10.889 1.00 0.00 O ATOM 431 CG2 THR A 26 6.409 6.147 -12.298 1.00 0.00 C ATOM 0 H THR A 26 4.825 3.272 -12.384 1.00 0.00 H new ATOM 0 HA THR A 26 6.842 4.379 -14.207 1.00 0.00 H new ATOM 0 HB THR A 26 8.031 4.802 -11.976 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.715 4.664 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.649 6.766 -11.433 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.864 6.578 -13.190 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.327 6.106 -12.426 1.00 0.00 H new ATOM 439 N TRP A 27 6.862 1.439 -13.132 1.00 0.00 N ATOM 440 CA TRP A 27 7.577 0.175 -13.059 1.00 0.00 C ATOM 441 C TRP A 27 7.211 -0.706 -14.246 1.00 0.00 C ATOM 442 O TRP A 27 6.458 -0.290 -15.129 1.00 0.00 O ATOM 443 CB TRP A 27 7.249 -0.554 -11.751 1.00 0.00 C ATOM 444 CG TRP A 27 7.639 0.207 -10.516 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.828 0.835 -10.285 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.850 0.396 -9.333 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.821 1.415 -9.042 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.621 1.158 -8.436 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.567 0.001 -8.945 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.152 1.532 -7.178 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.103 0.372 -7.695 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.896 1.131 -6.824 1.00 0.00 C ATOM 0 H TRP A 27 5.846 1.351 -13.101 1.00 0.00 H new ATOM 0 HA TRP A 27 8.646 0.384 -13.086 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.179 -0.757 -11.718 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.756 -1.519 -11.747 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.654 0.870 -10.980 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.587 1.952 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.948 -0.584 -9.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.761 2.119 -6.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.113 0.071 -7.386 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.506 1.404 -5.854 1.00 0.00 H new ATOM 463 N SER A 28 7.749 -1.913 -14.266 1.00 0.00 N ATOM 464 CA SER A 28 7.413 -2.884 -15.291 1.00 0.00 C ATOM 465 C SER A 28 6.125 -3.609 -14.913 1.00 0.00 C ATOM 466 O SER A 28 5.733 -3.614 -13.745 1.00 0.00 O ATOM 467 CB SER A 28 8.564 -3.874 -15.448 1.00 0.00 C ATOM 468 OG SER A 28 8.976 -4.368 -14.186 1.00 0.00 O ATOM 0 H SER A 28 8.425 -2.245 -13.578 1.00 0.00 H new ATOM 0 HA SER A 28 7.255 -2.376 -16.242 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.253 -4.703 -16.084 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.403 -3.388 -15.945 1.00 0.00 H new ATOM 0 HG SER A 28 9.713 -5.002 -14.308 1.00 0.00 H new ATOM 474 N GLU A 29 5.468 -4.215 -15.893 1.00 0.00 N ATOM 475 CA GLU A 29 4.197 -4.888 -15.658 1.00 0.00 C ATOM 476 C GLU A 29 4.349 -6.037 -14.671 1.00 0.00 C ATOM 477 O GLU A 29 3.515 -6.205 -13.786 1.00 0.00 O ATOM 478 CB GLU A 29 3.609 -5.406 -16.967 1.00 0.00 C ATOM 479 CG GLU A 29 3.267 -4.308 -17.957 1.00 0.00 C ATOM 480 CD GLU A 29 2.588 -4.845 -19.195 1.00 0.00 C ATOM 481 OE1 GLU A 29 3.300 -5.223 -20.150 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.341 -4.901 -19.215 1.00 0.00 O ATOM 0 H GLU A 29 5.794 -4.254 -16.859 1.00 0.00 H new ATOM 0 HA GLU A 29 3.516 -4.154 -15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.320 -6.091 -17.429 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.709 -5.980 -16.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.616 -3.578 -17.476 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.178 -3.783 -18.244 1.00 0.00 H new ATOM 489 N ASP A 30 5.415 -6.816 -14.816 1.00 0.00 N ATOM 490 CA ASP A 30 5.647 -7.957 -13.930 1.00 0.00 C ATOM 491 C ASP A 30 5.925 -7.491 -12.511 1.00 0.00 C ATOM 492 O ASP A 30 5.458 -8.097 -11.545 1.00 0.00 O ATOM 493 CB ASP A 30 6.811 -8.818 -14.424 1.00 0.00 C ATOM 494 CG ASP A 30 6.486 -9.572 -15.696 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.943 -10.695 -15.611 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.786 -9.054 -16.789 1.00 0.00 O ATOM 0 H ASP A 30 6.129 -6.682 -15.532 1.00 0.00 H new ATOM 0 HA ASP A 30 4.740 -8.562 -13.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.679 -8.182 -14.596 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.086 -9.530 -13.646 1.00 0.00 H new ATOM 501 N TYR A 31 6.679 -6.408 -12.380 1.00 0.00 N ATOM 502 CA TYR A 31 6.981 -5.867 -11.065 1.00 0.00 C ATOM 503 C TYR A 31 5.721 -5.276 -10.447 1.00 0.00 C ATOM 504 O TYR A 31 5.439 -5.494 -9.276 1.00 0.00 O ATOM 505 CB TYR A 31 8.088 -4.812 -11.139 1.00 0.00 C ATOM 506 CG TYR A 31 8.584 -4.363 -9.780 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.062 -5.286 -8.859 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.580 -3.022 -9.420 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.518 -4.887 -7.619 1.00 0.00 C ATOM 510 CE2 TYR A 31 9.037 -2.613 -8.179 1.00 0.00 C ATOM 511 CZ TYR A 31 9.505 -3.550 -7.282 1.00 0.00 C ATOM 512 OH TYR A 31 9.969 -3.154 -6.045 1.00 0.00 O ATOM 0 H TYR A 31 7.088 -5.893 -13.159 1.00 0.00 H new ATOM 0 HA TYR A 31 7.341 -6.680 -10.434 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.926 -5.215 -11.708 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.718 -3.945 -11.687 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.077 -6.334 -9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.214 -2.286 -10.120 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.884 -5.620 -6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.027 -1.566 -7.915 1.00 0.00 H new ATOM 0 HH TYR A 31 9.234 -3.178 -5.397 1.00 0.00 H new ATOM 522 N GLN A 32 4.947 -4.554 -11.248 1.00 0.00 N ATOM 523 CA GLN A 32 3.691 -3.993 -10.773 1.00 0.00 C ATOM 524 C GLN A 32 2.705 -5.100 -10.423 1.00 0.00 C ATOM 525 O GLN A 32 1.959 -4.988 -9.456 1.00 0.00 O ATOM 526 CB GLN A 32 3.083 -3.046 -11.802 1.00 0.00 C ATOM 527 CG GLN A 32 3.835 -1.735 -11.924 1.00 0.00 C ATOM 528 CD GLN A 32 3.065 -0.689 -12.696 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.210 -0.558 -13.912 1.00 0.00 O ATOM 530 NE2 GLN A 32 2.231 0.058 -11.991 1.00 0.00 N ATOM 0 H GLN A 32 5.166 -4.345 -12.222 1.00 0.00 H new ATOM 0 HA GLN A 32 3.905 -3.419 -9.871 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.065 -3.539 -12.774 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.048 -2.840 -11.530 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.057 -1.354 -10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.791 -1.914 -12.417 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.143 -0.086 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.676 0.778 -12.454 1.00 0.00 H new ATOM 539 N ARG A 33 2.715 -6.170 -11.211 1.00 0.00 N ATOM 540 CA ARG A 33 1.877 -7.331 -10.944 1.00 0.00 C ATOM 541 C ARG A 33 2.203 -7.923 -9.578 1.00 0.00 C ATOM 542 O ARG A 33 1.307 -8.174 -8.774 1.00 0.00 O ATOM 543 CB ARG A 33 2.069 -8.391 -12.033 1.00 0.00 C ATOM 544 CG ARG A 33 1.370 -9.710 -11.743 1.00 0.00 C ATOM 545 CD ARG A 33 -0.145 -9.569 -11.741 1.00 0.00 C ATOM 546 NE ARG A 33 -0.794 -10.801 -11.307 1.00 0.00 N ATOM 547 CZ ARG A 33 -1.977 -11.227 -11.748 1.00 0.00 C ATOM 548 NH1 ARG A 33 -2.650 -10.528 -12.653 1.00 0.00 N ATOM 549 NH2 ARG A 33 -2.476 -12.367 -11.292 1.00 0.00 N ATOM 0 H ARG A 33 3.298 -6.256 -12.044 1.00 0.00 H new ATOM 0 HA ARG A 33 0.836 -7.008 -10.946 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.699 -7.996 -12.979 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.135 -8.577 -12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.664 -10.447 -12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.699 -10.089 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.435 -8.751 -11.081 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.489 -9.308 -12.742 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.309 -11.376 -10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.262 -9.657 -13.017 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.555 -10.861 -12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.955 -12.914 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.381 -12.697 -11.626 1.00 0.00 H new ATOM 563 N SER A 34 3.487 -8.134 -9.320 1.00 0.00 N ATOM 564 CA SER A 34 3.918 -8.699 -8.052 1.00 0.00 C ATOM 565 C SER A 34 3.684 -7.715 -6.906 1.00 0.00 C ATOM 566 O SER A 34 3.326 -8.122 -5.805 1.00 0.00 O ATOM 567 CB SER A 34 5.384 -9.128 -8.128 1.00 0.00 C ATOM 568 OG SER A 34 6.179 -8.145 -8.769 1.00 0.00 O ATOM 0 H SER A 34 4.244 -7.923 -9.970 1.00 0.00 H new ATOM 0 HA SER A 34 3.318 -9.586 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.765 -9.307 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.461 -10.070 -8.670 1.00 0.00 H new ATOM 0 HG SER A 34 5.713 -7.283 -8.749 1.00 0.00 H new ATOM 574 N VAL A 35 3.874 -6.424 -7.170 1.00 0.00 N ATOM 575 CA VAL A 35 3.549 -5.388 -6.191 1.00 0.00 C ATOM 576 C VAL A 35 2.065 -5.445 -5.836 1.00 0.00 C ATOM 577 O VAL A 35 1.699 -5.547 -4.665 1.00 0.00 O ATOM 578 CB VAL A 35 3.900 -3.971 -6.716 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.309 -2.889 -5.821 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.408 -3.796 -6.815 1.00 0.00 C ATOM 0 H VAL A 35 4.250 -6.071 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 35 4.149 -5.580 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 35 3.465 -3.869 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.572 -1.907 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.224 -2.991 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.707 -2.994 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.635 -2.796 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.855 -3.928 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.816 -4.538 -7.501 1.00 0.00 H new ATOM 590 N TRP A 36 1.228 -5.409 -6.864 1.00 0.00 N ATOM 591 CA TRP A 36 -0.221 -5.452 -6.705 1.00 0.00 C ATOM 592 C TRP A 36 -0.657 -6.707 -5.947 1.00 0.00 C ATOM 593 O TRP A 36 -1.408 -6.627 -4.973 1.00 0.00 O ATOM 594 CB TRP A 36 -0.878 -5.395 -8.088 1.00 0.00 C ATOM 595 CG TRP A 36 -2.362 -5.581 -8.076 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.045 -6.682 -8.500 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.347 -4.645 -7.624 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.395 -6.489 -8.340 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.606 -5.249 -7.801 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.288 -3.357 -7.083 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.793 -4.610 -7.458 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.469 -2.724 -6.744 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.706 -3.351 -6.932 1.00 0.00 C ATOM 0 H TRP A 36 1.535 -5.349 -7.835 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.540 -4.592 -6.116 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.648 -4.433 -8.546 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.433 -6.163 -8.720 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.591 -7.575 -8.903 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.123 -7.161 -8.583 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.338 -2.866 -6.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.749 -5.091 -7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.437 -1.728 -6.327 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.611 -2.830 -6.656 1.00 0.00 H new ATOM 614 N THR A 37 -0.158 -7.856 -6.383 1.00 0.00 N ATOM 615 CA THR A 37 -0.485 -9.126 -5.753 1.00 0.00 C ATOM 616 C THR A 37 0.003 -9.154 -4.303 1.00 0.00 C ATOM 617 O THR A 37 -0.682 -9.662 -3.412 1.00 0.00 O ATOM 618 CB THR A 37 0.137 -10.298 -6.538 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.233 -10.205 -7.918 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.318 -11.640 -5.986 1.00 0.00 C ATOM 0 H THR A 37 0.479 -7.933 -7.176 1.00 0.00 H new ATOM 0 HA THR A 37 -1.570 -9.234 -5.759 1.00 0.00 H new ATOM 0 HB THR A 37 1.220 -10.233 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.399 -9.622 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.139 -12.444 -6.562 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.017 -11.725 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.403 -11.714 -6.057 1.00 0.00 H new ATOM 628 N ARG A 38 1.182 -8.584 -4.071 1.00 0.00 N ATOM 629 CA ARG A 38 1.753 -8.507 -2.732 1.00 0.00 C ATOM 630 C ARG A 38 0.867 -7.649 -1.838 1.00 0.00 C ATOM 631 O ARG A 38 0.647 -7.967 -0.664 1.00 0.00 O ATOM 632 CB ARG A 38 3.162 -7.918 -2.794 1.00 0.00 C ATOM 633 CG ARG A 38 3.986 -8.136 -1.538 1.00 0.00 C ATOM 634 CD ARG A 38 5.343 -7.461 -1.653 1.00 0.00 C ATOM 635 NE ARG A 38 6.043 -7.842 -2.880 1.00 0.00 N ATOM 636 CZ ARG A 38 6.791 -7.009 -3.602 1.00 0.00 C ATOM 637 NH1 ARG A 38 6.963 -5.756 -3.207 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.366 -7.438 -4.715 1.00 0.00 N ATOM 0 H ARG A 38 1.763 -8.167 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 38 1.811 -9.512 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.689 -8.356 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.088 -6.847 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.451 -7.740 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.120 -9.204 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.213 -6.379 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.954 -7.726 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 38 5.953 -8.805 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.522 -5.427 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.536 -5.120 -3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.235 -8.403 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.939 -6.803 -5.270 1.00 0.00 H new ATOM 652 N LEU A 39 0.351 -6.566 -2.408 1.00 0.00 N ATOM 653 CA LEU A 39 -0.573 -5.693 -1.702 1.00 0.00 C ATOM 654 C LEU A 39 -1.819 -6.471 -1.297 1.00 0.00 C ATOM 655 O LEU A 39 -2.247 -6.409 -0.147 1.00 0.00 O ATOM 656 CB LEU A 39 -0.964 -4.491 -2.569 1.00 0.00 C ATOM 657 CG LEU A 39 0.192 -3.582 -2.999 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.328 -2.434 -3.852 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.942 -3.050 -1.786 1.00 0.00 C ATOM 0 H LEU A 39 0.560 -6.272 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.075 -5.321 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.466 -4.859 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.690 -3.891 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 39 0.888 -4.171 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.504 -1.796 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.816 -2.833 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.045 -1.849 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.758 -2.407 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.259 -2.477 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.346 -3.885 -1.213 1.00 0.00 H new ATOM 671 N GLU A 40 -2.378 -7.227 -2.240 1.00 0.00 N ATOM 672 CA GLU A 40 -3.554 -8.054 -1.968 1.00 0.00 C ATOM 673 C GLU A 40 -3.269 -9.073 -0.867 1.00 0.00 C ATOM 674 O GLU A 40 -4.172 -9.493 -0.143 1.00 0.00 O ATOM 675 CB GLU A 40 -4.001 -8.801 -3.228 1.00 0.00 C ATOM 676 CG GLU A 40 -4.435 -7.903 -4.375 1.00 0.00 C ATOM 677 CD GLU A 40 -5.033 -8.698 -5.518 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.281 -9.115 -6.423 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.262 -8.932 -5.502 1.00 0.00 O ATOM 0 H GLU A 40 -2.036 -7.285 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.348 -7.383 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.182 -9.434 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.828 -9.462 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.166 -7.180 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.578 -7.336 -4.737 1.00 0.00 H new ATOM 686 N THR A 41 -2.007 -9.454 -0.739 1.00 0.00 N ATOM 687 CA THR A 41 -1.608 -10.492 0.196 1.00 0.00 C ATOM 688 C THR A 41 -1.531 -9.972 1.639 1.00 0.00 C ATOM 689 O THR A 41 -2.111 -10.566 2.550 1.00 0.00 O ATOM 690 CB THR A 41 -0.243 -11.089 -0.207 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.284 -11.544 -1.568 1.00 0.00 O ATOM 692 CG2 THR A 41 0.138 -12.249 0.704 1.00 0.00 C ATOM 0 H THR A 41 -1.237 -9.055 -1.276 1.00 0.00 H new ATOM 0 HA THR A 41 -2.375 -11.266 0.155 1.00 0.00 H new ATOM 0 HB THR A 41 0.508 -10.305 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.275 -10.772 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.104 -12.650 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.202 -11.897 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.619 -13.030 0.634 1.00 0.00 H new ATOM 700 N TYR A 42 -0.821 -8.870 1.848 1.00 0.00 N ATOM 701 CA TYR A 42 -0.542 -8.399 3.206 1.00 0.00 C ATOM 702 C TYR A 42 -1.295 -7.117 3.561 1.00 0.00 C ATOM 703 O TYR A 42 -1.625 -6.888 4.722 1.00 0.00 O ATOM 704 CB TYR A 42 0.960 -8.169 3.382 1.00 0.00 C ATOM 705 CG TYR A 42 1.808 -9.383 3.076 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.853 -10.461 3.948 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.571 -9.443 1.915 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.635 -11.568 3.674 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.353 -10.547 1.634 1.00 0.00 C ATOM 710 CZ TYR A 42 3.382 -11.607 2.517 1.00 0.00 C ATOM 711 OH TYR A 42 4.166 -12.706 2.239 1.00 0.00 O ATOM 0 H TYR A 42 -0.430 -8.289 1.106 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.891 -9.178 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.270 -7.349 2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.151 -7.854 4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.268 -10.435 4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.552 -8.614 1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.660 -12.398 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.939 -10.580 0.727 1.00 0.00 H new ATOM 0 HH TYR A 42 4.626 -12.572 1.384 1.00 0.00 H new ATOM 721 N LEU A 43 -1.576 -6.294 2.563 1.00 0.00 N ATOM 722 CA LEU A 43 -2.089 -4.946 2.800 1.00 0.00 C ATOM 723 C LEU A 43 -3.614 -4.897 2.658 1.00 0.00 C ATOM 724 O LEU A 43 -4.319 -4.418 3.545 1.00 0.00 O ATOM 725 CB LEU A 43 -1.416 -3.991 1.809 1.00 0.00 C ATOM 726 CG LEU A 43 -1.552 -2.502 2.115 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.963 -2.184 3.481 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.865 -1.677 1.039 1.00 0.00 C ATOM 0 H LEU A 43 -1.459 -6.533 1.578 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.857 -4.644 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.355 -4.236 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.830 -4.177 0.818 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.612 -2.247 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.068 -1.118 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.491 -2.753 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.093 -2.453 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.970 -0.617 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.193 -1.937 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.324 -1.885 0.073 1.00 0.00 H new ATOM 740 N PHE A 44 -4.112 -5.429 1.549 1.00 0.00 N ATOM 741 CA PHE A 44 -5.549 -5.439 1.247 1.00 0.00 C ATOM 742 C PHE A 44 -6.426 -6.174 2.289 1.00 0.00 C ATOM 743 O PHE A 44 -7.523 -5.709 2.578 1.00 0.00 O ATOM 744 CB PHE A 44 -5.796 -6.056 -0.129 1.00 0.00 C ATOM 745 CG PHE A 44 -5.582 -5.110 -1.278 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.540 -4.197 -1.270 1.00 0.00 C ATOM 747 CD2 PHE A 44 -6.427 -5.144 -2.375 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.346 -3.338 -2.331 1.00 0.00 C ATOM 749 CE2 PHE A 44 -6.239 -4.286 -3.440 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.195 -3.382 -3.417 1.00 0.00 C ATOM 0 H PHE A 44 -3.536 -5.867 0.830 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.850 -4.392 1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.136 -6.915 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.819 -6.431 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.872 -4.158 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.243 -5.851 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.530 -2.631 -2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.906 -4.322 -4.289 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.044 -2.710 -4.249 1.00 0.00 H new ATOM 760 N PRO A 45 -5.987 -7.315 2.875 1.00 0.00 N ATOM 761 CA PRO A 45 -6.855 -8.130 3.745 1.00 0.00 C ATOM 762 C PRO A 45 -7.279 -7.410 5.027 1.00 0.00 C ATOM 763 O PRO A 45 -8.189 -7.862 5.728 1.00 0.00 O ATOM 764 CB PRO A 45 -5.991 -9.348 4.085 1.00 0.00 C ATOM 765 CG PRO A 45 -4.592 -8.883 3.903 1.00 0.00 C ATOM 766 CD PRO A 45 -4.638 -7.897 2.773 1.00 0.00 C ATOM 0 HA PRO A 45 -7.791 -8.374 3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.166 -9.685 5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.217 -10.189 3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.212 -8.419 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.929 -9.716 3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.864 -7.136 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.483 -8.384 1.810 1.00 0.00 H new ATOM 774 N ASP A 46 -6.631 -6.291 5.329 1.00 0.00 N ATOM 775 CA ASP A 46 -6.927 -5.550 6.547 1.00 0.00 C ATOM 776 C ASP A 46 -7.661 -4.246 6.240 1.00 0.00 C ATOM 777 O ASP A 46 -8.763 -4.012 6.739 1.00 0.00 O ATOM 778 CB ASP A 46 -5.638 -5.256 7.316 1.00 0.00 C ATOM 779 CG ASP A 46 -5.899 -4.504 8.604 1.00 0.00 C ATOM 780 OD1 ASP A 46 -6.158 -5.158 9.637 1.00 0.00 O ATOM 781 OD2 ASP A 46 -5.858 -3.262 8.587 1.00 0.00 O ATOM 0 H ASP A 46 -5.900 -5.879 4.749 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.579 -6.169 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.130 -6.193 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.966 -4.672 6.686 1.00 0.00 H new ATOM 786 N ILE A 47 -7.059 -3.414 5.400 1.00 0.00 N ATOM 787 CA ILE A 47 -7.593 -2.085 5.106 1.00 0.00 C ATOM 788 C ILE A 47 -8.415 -2.056 3.820 1.00 0.00 C ATOM 789 O ILE A 47 -8.940 -1.013 3.440 1.00 0.00 O ATOM 790 CB ILE A 47 -6.453 -1.063 4.978 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.398 -1.600 4.011 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.844 -0.759 6.336 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.097 -0.840 4.035 1.00 0.00 C ATOM 0 H ILE A 47 -6.195 -3.636 4.906 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.247 -1.827 5.939 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.853 -0.129 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.200 -2.645 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.802 -1.575 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.039 -0.033 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.610 -0.349 6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.445 -1.676 6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.403 -1.284 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.278 0.200 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.667 -0.886 5.036 1.00 0.00 H new ATOM 805 N GLY A 48 -8.526 -3.200 3.158 1.00 0.00 N ATOM 806 CA GLY A 48 -9.238 -3.266 1.892 1.00 0.00 C ATOM 807 C GLY A 48 -10.678 -2.803 2.001 1.00 0.00 C ATOM 808 O GLY A 48 -11.134 -1.978 1.208 1.00 0.00 O ATOM 0 H GLY A 48 -8.135 -4.087 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.719 -2.652 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.218 -4.291 1.523 1.00 0.00 H new ATOM 812 N ASN A 49 -11.391 -3.325 2.988 1.00 0.00 N ATOM 813 CA ASN A 49 -12.784 -2.960 3.194 1.00 0.00 C ATOM 814 C ASN A 49 -12.945 -2.158 4.476 1.00 0.00 C ATOM 815 O ASN A 49 -14.047 -2.026 5.009 1.00 0.00 O ATOM 816 CB ASN A 49 -13.671 -4.206 3.224 1.00 0.00 C ATOM 817 CG ASN A 49 -13.922 -4.769 1.835 1.00 0.00 C ATOM 818 OD1 ASN A 49 -14.893 -4.406 1.174 1.00 0.00 O ATOM 819 ND2 ASN A 49 -13.050 -5.657 1.378 1.00 0.00 N ATOM 0 H ASN A 49 -11.028 -4.002 3.658 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.099 -2.336 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.200 -4.969 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.624 -3.959 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.174 -6.062 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.256 -5.935 1.954 1.00 0.00 H new ATOM 826 N LYS A 50 -11.841 -1.609 4.954 1.00 0.00 N ATOM 827 CA LYS A 50 -11.867 -0.711 6.093 1.00 0.00 C ATOM 828 C LYS A 50 -11.762 0.705 5.556 1.00 0.00 C ATOM 829 O LYS A 50 -10.905 0.985 4.717 1.00 0.00 O ATOM 830 CB LYS A 50 -10.715 -1.019 7.060 1.00 0.00 C ATOM 831 CG LYS A 50 -10.846 -0.344 8.424 1.00 0.00 C ATOM 832 CD LYS A 50 -9.698 -0.727 9.349 1.00 0.00 C ATOM 833 CE LYS A 50 -9.905 -0.220 10.772 1.00 0.00 C ATOM 834 NZ LYS A 50 -9.960 1.265 10.847 1.00 0.00 N ATOM 0 H LYS A 50 -10.911 -1.772 4.567 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.792 -0.836 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.656 -2.098 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.777 -0.707 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.865 0.738 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.794 -0.627 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.594 -1.812 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.766 -0.323 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.831 -0.635 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.095 -0.582 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.252 1.554 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.020 1.658 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.646 1.623 10.152 1.00 0.00 H new ATOM 848 N ASP A 51 -12.649 1.581 6.002 1.00 0.00 N ATOM 849 CA ASP A 51 -12.739 2.923 5.436 1.00 0.00 C ATOM 850 C ASP A 51 -11.406 3.656 5.552 1.00 0.00 C ATOM 851 O ASP A 51 -10.768 3.652 6.606 1.00 0.00 O ATOM 852 CB ASP A 51 -13.845 3.730 6.113 1.00 0.00 C ATOM 853 CG ASP A 51 -14.167 5.003 5.355 1.00 0.00 C ATOM 854 OD1 ASP A 51 -13.331 5.928 5.351 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.252 5.065 4.744 1.00 0.00 O ATOM 0 H ASP A 51 -13.315 1.391 6.751 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.985 2.819 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.744 3.118 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.540 3.981 7.129 1.00 0.00 H new ATOM 860 N ILE A 52 -11.009 4.293 4.461 1.00 0.00 N ATOM 861 CA ILE A 52 -9.704 4.931 4.354 1.00 0.00 C ATOM 862 C ILE A 52 -9.610 6.157 5.271 1.00 0.00 C ATOM 863 O ILE A 52 -8.530 6.507 5.750 1.00 0.00 O ATOM 864 CB ILE A 52 -9.426 5.315 2.874 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.119 4.674 2.383 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.396 6.826 2.675 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.862 5.297 2.955 1.00 0.00 C ATOM 0 H ILE A 52 -11.583 4.383 3.623 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.942 4.224 4.681 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.250 4.926 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.132 3.614 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.081 4.742 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.199 7.051 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.358 7.250 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.609 7.259 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.987 4.784 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.821 6.351 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.872 5.205 4.041 1.00 0.00 H new ATOM 879 N ALA A 53 -10.750 6.787 5.539 1.00 0.00 N ATOM 880 CA ALA A 53 -10.787 7.961 6.401 1.00 0.00 C ATOM 881 C ALA A 53 -11.034 7.538 7.840 1.00 0.00 C ATOM 882 O ALA A 53 -11.037 8.355 8.763 1.00 0.00 O ATOM 883 CB ALA A 53 -11.861 8.932 5.935 1.00 0.00 C ATOM 0 H ALA A 53 -11.658 6.504 5.172 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.825 8.470 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.874 9.803 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.646 9.250 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.834 8.441 5.965 1.00 0.00 H new ATOM 889 N GLU A 54 -11.239 6.245 8.014 1.00 0.00 N ATOM 890 CA GLU A 54 -11.457 5.659 9.323 1.00 0.00 C ATOM 891 C GLU A 54 -10.170 4.967 9.769 1.00 0.00 C ATOM 892 O GLU A 54 -10.105 4.327 10.817 1.00 0.00 O ATOM 893 CB GLU A 54 -12.639 4.681 9.237 1.00 0.00 C ATOM 894 CG GLU A 54 -13.196 4.202 10.571 1.00 0.00 C ATOM 895 CD GLU A 54 -12.646 2.854 10.988 1.00 0.00 C ATOM 896 OE1 GLU A 54 -12.403 2.004 10.104 1.00 0.00 O ATOM 897 OE2 GLU A 54 -12.452 2.634 12.199 1.00 0.00 O ATOM 0 H GLU A 54 -11.259 5.570 7.249 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.705 6.420 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.443 5.160 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.326 3.810 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.964 4.938 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.282 4.141 10.505 1.00 0.00 H new ATOM 904 N LEU A 55 -9.134 5.124 8.957 1.00 0.00 N ATOM 905 CA LEU A 55 -7.837 4.532 9.243 1.00 0.00 C ATOM 906 C LEU A 55 -6.985 5.459 10.100 1.00 0.00 C ATOM 907 O LEU A 55 -6.809 6.638 9.786 1.00 0.00 O ATOM 908 CB LEU A 55 -7.098 4.198 7.943 1.00 0.00 C ATOM 909 CG LEU A 55 -7.718 3.072 7.110 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.981 2.910 5.791 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.699 1.768 7.888 1.00 0.00 C ATOM 0 H LEU A 55 -9.168 5.660 8.090 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.010 3.611 9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.050 5.098 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.072 3.924 8.188 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.753 3.336 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.438 2.105 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.040 3.840 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.936 2.669 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.143 0.977 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.670 1.504 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.271 1.885 8.809 1.00 0.00 H new ATOM 923 N ASP A 56 -6.489 4.918 11.195 1.00 0.00 N ATOM 924 CA ASP A 56 -5.548 5.618 12.056 1.00 0.00 C ATOM 925 C ASP A 56 -4.127 5.221 11.667 1.00 0.00 C ATOM 926 O ASP A 56 -3.938 4.241 10.942 1.00 0.00 O ATOM 927 CB ASP A 56 -5.828 5.259 13.526 1.00 0.00 C ATOM 928 CG ASP A 56 -4.887 5.936 14.505 1.00 0.00 C ATOM 929 OD1 ASP A 56 -5.177 7.073 14.923 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.855 5.333 14.865 1.00 0.00 O ATOM 0 H ASP A 56 -6.726 3.979 11.516 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.661 6.695 11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.854 5.536 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.751 4.179 13.649 1.00 0.00 H new ATOM 935 N THR A 57 -3.136 5.979 12.122 1.00 0.00 N ATOM 936 CA THR A 57 -1.742 5.630 11.889 1.00 0.00 C ATOM 937 C THR A 57 -1.463 4.211 12.384 1.00 0.00 C ATOM 938 O THR A 57 -0.816 3.417 11.700 1.00 0.00 O ATOM 939 CB THR A 57 -0.798 6.616 12.599 1.00 0.00 C ATOM 940 OG1 THR A 57 -1.137 7.950 12.219 1.00 0.00 O ATOM 941 CG2 THR A 57 0.656 6.337 12.243 1.00 0.00 C ATOM 0 H THR A 57 -3.273 6.838 12.654 1.00 0.00 H new ATOM 0 HA THR A 57 -1.559 5.684 10.816 1.00 0.00 H new ATOM 0 HB THR A 57 -0.914 6.493 13.676 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.538 8.416 12.982 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.300 7.049 12.759 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.917 5.324 12.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.793 6.438 11.166 1.00 0.00 H new ATOM 949 N GLY A 58 -2.002 3.892 13.559 1.00 0.00 N ATOM 950 CA GLY A 58 -1.817 2.576 14.136 1.00 0.00 C ATOM 951 C GLY A 58 -2.476 1.494 13.308 1.00 0.00 C ATOM 952 O GLY A 58 -1.953 0.388 13.200 1.00 0.00 O ATOM 0 H GLY A 58 -2.566 4.528 14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.751 2.366 14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.229 2.562 15.145 1.00 0.00 H new ATOM 956 N ASP A 59 -3.617 1.829 12.708 1.00 0.00 N ATOM 957 CA ASP A 59 -4.350 0.893 11.857 1.00 0.00 C ATOM 958 C ASP A 59 -3.478 0.422 10.707 1.00 0.00 C ATOM 959 O ASP A 59 -3.428 -0.763 10.403 1.00 0.00 O ATOM 960 CB ASP A 59 -5.612 1.535 11.274 1.00 0.00 C ATOM 961 CG ASP A 59 -6.721 1.725 12.285 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.720 1.039 13.324 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.612 2.563 12.030 1.00 0.00 O ATOM 0 H ASP A 59 -4.055 2.746 12.796 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.634 0.048 12.484 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.352 2.504 10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.980 0.915 10.457 1.00 0.00 H new ATOM 968 N LEU A 60 -2.797 1.364 10.078 1.00 0.00 N ATOM 969 CA LEU A 60 -1.941 1.068 8.938 1.00 0.00 C ATOM 970 C LEU A 60 -0.659 0.382 9.397 1.00 0.00 C ATOM 971 O LEU A 60 -0.084 -0.456 8.687 1.00 0.00 O ATOM 972 CB LEU A 60 -1.628 2.366 8.195 1.00 0.00 C ATOM 973 CG LEU A 60 -2.863 3.091 7.654 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.519 4.511 7.257 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.447 2.335 6.471 1.00 0.00 C ATOM 0 H LEU A 60 -2.820 2.350 10.339 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.458 0.387 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.092 3.036 8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.958 2.144 7.365 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.612 3.129 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.411 5.008 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.146 5.052 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.752 4.497 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.324 2.864 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.701 2.266 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.735 1.332 6.786 1.00 0.00 H new ATOM 987 N LEU A 61 -0.225 0.725 10.600 1.00 0.00 N ATOM 988 CA LEU A 61 0.951 0.105 11.183 1.00 0.00 C ATOM 989 C LEU A 61 0.719 -1.378 11.432 1.00 0.00 C ATOM 990 O LEU A 61 1.667 -2.149 11.441 1.00 0.00 O ATOM 991 CB LEU A 61 1.352 0.798 12.487 1.00 0.00 C ATOM 992 CG LEU A 61 1.917 2.211 12.331 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.266 2.791 13.691 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.137 2.207 11.420 1.00 0.00 C ATOM 0 H LEU A 61 -0.670 1.428 11.190 1.00 0.00 H new ATOM 0 HA LEU A 61 1.766 0.215 10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.479 0.844 13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.095 0.181 12.993 1.00 0.00 H new ATOM 0 HG LEU A 61 1.154 2.839 11.871 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.667 3.797 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.370 2.832 14.310 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.012 2.161 14.175 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.522 3.222 11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.908 1.565 11.847 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.855 1.831 10.437 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.538 -1.779 11.621 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.850 -3.185 11.870 1.00 0.00 C ATOM 1008 C VAL A 62 -0.366 -4.082 10.720 1.00 0.00 C ATOM 1009 O VAL A 62 0.472 -4.952 10.945 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.354 -3.432 12.135 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.610 -4.909 12.396 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.843 -2.597 13.309 1.00 0.00 C ATOM 0 H VAL A 62 -1.347 -1.158 11.607 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.310 -3.451 12.779 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.909 -3.130 11.247 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.673 -5.067 12.581 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.302 -5.491 11.527 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.039 -5.229 13.267 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.903 -2.788 13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.281 -2.864 14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.695 -1.540 13.090 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.870 -3.899 9.472 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.400 -4.679 8.323 1.00 0.00 C ATOM 1024 C PRO A 63 1.101 -4.517 8.078 1.00 0.00 C ATOM 1025 O PRO A 63 1.785 -5.488 7.755 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.203 -4.135 7.135 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.778 -2.843 7.599 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.944 -2.968 9.085 1.00 0.00 C ATOM 0 HA PRO A 63 -0.548 -5.747 8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.564 -3.989 6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.989 -4.831 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.119 -2.012 7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.735 -2.647 7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.839 -2.004 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.927 -3.358 9.348 1.00 0.00 H new ATOM 1036 N ILE A 64 1.615 -3.298 8.242 1.00 0.00 N ATOM 1037 CA ILE A 64 3.049 -3.055 8.061 1.00 0.00 C ATOM 1038 C ILE A 64 3.866 -3.860 9.078 1.00 0.00 C ATOM 1039 O ILE A 64 4.827 -4.549 8.726 1.00 0.00 O ATOM 1040 CB ILE A 64 3.390 -1.554 8.197 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.615 -0.740 7.157 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.889 -1.333 8.037 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.755 0.758 7.327 1.00 0.00 C ATOM 0 H ILE A 64 1.071 -2.474 8.496 1.00 0.00 H new ATOM 0 HA ILE A 64 3.308 -3.378 7.053 1.00 0.00 H new ATOM 0 HB ILE A 64 3.097 -1.218 9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.960 -1.017 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.559 -1.006 7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.113 -0.271 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.423 -1.889 8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.205 -1.681 7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.179 1.267 6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.382 1.049 8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.805 1.038 7.240 1.00 0.00 H new ATOM 1055 N LYS A 65 3.447 -3.784 10.333 1.00 0.00 N ATOM 1056 CA LYS A 65 4.087 -4.507 11.427 1.00 0.00 C ATOM 1057 C LYS A 65 3.904 -6.011 11.259 1.00 0.00 C ATOM 1058 O LYS A 65 4.763 -6.803 11.645 1.00 0.00 O ATOM 1059 CB LYS A 65 3.476 -4.046 12.750 1.00 0.00 C ATOM 1060 CG LYS A 65 3.935 -4.814 13.972 1.00 0.00 C ATOM 1061 CD LYS A 65 3.139 -4.387 15.195 1.00 0.00 C ATOM 1062 CE LYS A 65 1.656 -4.687 15.028 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.857 -4.193 16.178 1.00 0.00 N ATOM 0 H LYS A 65 2.650 -3.217 10.624 1.00 0.00 H new ATOM 0 HA LYS A 65 5.156 -4.296 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.712 -2.991 12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.391 -4.123 12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.811 -5.884 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.997 -4.639 14.142 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.519 -4.904 16.076 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.278 -3.320 15.367 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.294 -4.225 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.513 -5.762 14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.147 -4.417 16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.185 -4.652 17.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.972 -3.163 16.264 1.00 0.00 H new ATOM 1077 N LYS A 66 2.769 -6.391 10.691 1.00 0.00 N ATOM 1078 CA LYS A 66 2.472 -7.787 10.394 1.00 0.00 C ATOM 1079 C LYS A 66 3.546 -8.388 9.487 1.00 0.00 C ATOM 1080 O LYS A 66 3.950 -9.539 9.664 1.00 0.00 O ATOM 1081 CB LYS A 66 1.097 -7.894 9.730 1.00 0.00 C ATOM 1082 CG LYS A 66 0.632 -9.321 9.508 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.706 -9.374 8.792 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.188 -10.809 8.631 1.00 0.00 C ATOM 1085 NZ LYS A 66 -0.271 -11.626 7.787 1.00 0.00 N ATOM 0 H LYS A 66 2.028 -5.743 10.423 1.00 0.00 H new ATOM 0 HA LYS A 66 2.463 -8.348 11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.364 -7.375 10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.127 -7.378 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.378 -9.860 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.551 -9.830 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.444 -8.800 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.616 -8.906 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.280 -11.271 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.183 -10.807 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.721 -12.537 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.068 -11.118 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.617 -11.794 8.302 1.00 0.00 H new ATOM 1099 N ILE A 67 4.012 -7.604 8.520 1.00 0.00 N ATOM 1100 CA ILE A 67 5.059 -8.059 7.612 1.00 0.00 C ATOM 1101 C ILE A 67 6.421 -8.017 8.308 1.00 0.00 C ATOM 1102 O ILE A 67 7.297 -8.843 8.042 1.00 0.00 O ATOM 1103 CB ILE A 67 5.119 -7.206 6.331 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.722 -7.034 5.733 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.045 -7.863 5.319 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.678 -6.080 4.558 1.00 0.00 C ATOM 0 H ILE A 67 3.683 -6.654 8.345 1.00 0.00 H new ATOM 0 HA ILE A 67 4.817 -9.084 7.330 1.00 0.00 H new ATOM 0 HB ILE A 67 5.507 -6.220 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.350 -8.008 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.046 -6.673 6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.084 -7.256 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.046 -7.948 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.669 -8.856 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.656 -6.008 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.019 -5.095 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.328 -6.450 3.765 1.00 0.00 H new ATOM 1118 N GLU A 68 6.586 -7.050 9.203 1.00 0.00 N ATOM 1119 CA GLU A 68 7.788 -6.951 10.023 1.00 0.00 C ATOM 1120 C GLU A 68 7.967 -8.233 10.833 1.00 0.00 C ATOM 1121 O GLU A 68 9.032 -8.853 10.810 1.00 0.00 O ATOM 1122 CB GLU A 68 7.692 -5.715 10.938 1.00 0.00 C ATOM 1123 CG GLU A 68 8.835 -5.558 11.936 1.00 0.00 C ATOM 1124 CD GLU A 68 8.552 -6.220 13.274 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.802 -5.637 14.086 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.076 -7.322 13.523 1.00 0.00 O ATOM 0 H GLU A 68 5.897 -6.319 9.380 1.00 0.00 H new ATOM 0 HA GLU A 68 8.663 -6.831 9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.650 -4.822 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.753 -5.762 11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.743 -5.986 11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.027 -4.497 12.096 1.00 0.00 H new ATOM 1133 N LYS A 69 6.899 -8.649 11.505 1.00 0.00 N ATOM 1134 CA LYS A 69 6.923 -9.852 12.329 1.00 0.00 C ATOM 1135 C LYS A 69 6.813 -11.114 11.482 1.00 0.00 C ATOM 1136 O LYS A 69 6.818 -12.230 12.002 1.00 0.00 O ATOM 1137 CB LYS A 69 5.805 -9.794 13.368 1.00 0.00 C ATOM 1138 CG LYS A 69 6.114 -8.836 14.504 1.00 0.00 C ATOM 1139 CD LYS A 69 4.879 -8.502 15.318 1.00 0.00 C ATOM 1140 CE LYS A 69 5.236 -7.665 16.537 1.00 0.00 C ATOM 1141 NZ LYS A 69 6.150 -6.541 16.198 1.00 0.00 N ATOM 0 H LYS A 69 6.000 -8.167 11.495 1.00 0.00 H new ATOM 0 HA LYS A 69 7.883 -9.893 12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.878 -9.489 12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.639 -10.792 13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.869 -9.277 15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.540 -7.918 14.098 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.166 -7.960 14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.389 -9.422 15.636 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.324 -7.268 16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.707 -8.301 17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.968 -5.741 16.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.137 -6.851 16.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.985 -6.244 15.215 1.00 0.00 H new ATOM 1155 N LEU A 70 6.721 -10.930 10.174 1.00 0.00 N ATOM 1156 CA LEU A 70 6.761 -12.043 9.237 1.00 0.00 C ATOM 1157 C LEU A 70 8.216 -12.415 8.967 1.00 0.00 C ATOM 1158 O LEU A 70 8.515 -13.462 8.392 1.00 0.00 O ATOM 1159 CB LEU A 70 6.064 -11.660 7.929 1.00 0.00 C ATOM 1160 CG LEU A 70 5.888 -12.794 6.920 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.844 -13.789 7.406 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.507 -12.237 5.558 1.00 0.00 C ATOM 0 H LEU A 70 6.618 -10.015 9.735 1.00 0.00 H new ATOM 0 HA LEU A 70 6.239 -12.898 9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.081 -11.253 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.633 -10.861 7.455 1.00 0.00 H new ATOM 0 HG LEU A 70 6.838 -13.320 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.734 -14.588 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.161 -14.212 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.889 -13.280 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.385 -13.057 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.570 -11.686 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.292 -11.568 5.206 1.00 0.00 H new ATOM 1174 N GLY A 71 9.115 -11.536 9.395 1.00 0.00 N ATOM 1175 CA GLY A 71 10.532 -11.764 9.209 1.00 0.00 C ATOM 1176 C GLY A 71 11.052 -11.138 7.934 1.00 0.00 C ATOM 1177 O GLY A 71 12.176 -11.408 7.512 1.00 0.00 O ATOM 0 H GLY A 71 8.883 -10.664 9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.078 -11.357 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.726 -12.836 9.190 1.00 0.00 H new ATOM 1181 N TYR A 72 10.232 -10.298 7.315 1.00 0.00 N ATOM 1182 CA TYR A 72 10.599 -9.656 6.064 1.00 0.00 C ATOM 1183 C TYR A 72 10.530 -8.143 6.194 1.00 0.00 C ATOM 1184 O TYR A 72 9.506 -7.524 5.904 1.00 0.00 O ATOM 1185 CB TYR A 72 9.699 -10.141 4.924 1.00 0.00 C ATOM 1186 CG TYR A 72 10.017 -11.545 4.464 1.00 0.00 C ATOM 1187 CD1 TYR A 72 9.663 -12.647 5.231 1.00 0.00 C ATOM 1188 CD2 TYR A 72 10.686 -11.767 3.267 1.00 0.00 C ATOM 1189 CE1 TYR A 72 9.967 -13.927 4.818 1.00 0.00 C ATOM 1190 CE2 TYR A 72 10.994 -13.045 2.849 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.633 -14.121 3.626 1.00 0.00 C ATOM 1192 OH TYR A 72 10.952 -15.396 3.220 1.00 0.00 O ATOM 0 H TYR A 72 9.306 -10.046 7.662 1.00 0.00 H new ATOM 0 HA TYR A 72 11.627 -9.931 5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.659 -10.100 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.796 -9.459 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.142 -12.499 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 72 10.970 -10.925 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.685 -14.774 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.516 -13.200 1.916 1.00 0.00 H new ATOM 0 HH TYR A 72 11.418 -15.358 2.359 1.00 0.00 H new ATOM 1202 N LEU A 73 11.630 -7.556 6.646 1.00 0.00 N ATOM 1203 CA LEU A 73 11.706 -6.116 6.847 1.00 0.00 C ATOM 1204 C LEU A 73 11.609 -5.368 5.523 1.00 0.00 C ATOM 1205 O LEU A 73 10.902 -4.367 5.425 1.00 0.00 O ATOM 1206 CB LEU A 73 13.005 -5.747 7.566 1.00 0.00 C ATOM 1207 CG LEU A 73 13.132 -6.296 8.988 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.451 -5.866 9.611 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.960 -5.832 9.840 1.00 0.00 C ATOM 0 H LEU A 73 12.486 -8.058 6.881 1.00 0.00 H new ATOM 0 HA LEU A 73 10.860 -5.819 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.846 -6.110 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.087 -4.661 7.603 1.00 0.00 H new ATOM 0 HG LEU A 73 13.116 -7.385 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.523 -6.266 10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.278 -6.246 9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.499 -4.778 9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.064 -6.230 10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.947 -4.743 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.028 -6.190 9.403 1.00 0.00 H new ATOM 1221 N GLU A 74 12.308 -5.864 4.508 1.00 0.00 N ATOM 1222 CA GLU A 74 12.297 -5.229 3.193 1.00 0.00 C ATOM 1223 C GLU A 74 10.889 -5.193 2.626 1.00 0.00 C ATOM 1224 O GLU A 74 10.423 -4.151 2.172 1.00 0.00 O ATOM 1225 CB GLU A 74 13.212 -5.966 2.224 1.00 0.00 C ATOM 1226 CG GLU A 74 14.654 -6.033 2.674 1.00 0.00 C ATOM 1227 CD GLU A 74 15.539 -6.684 1.636 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.256 -7.840 1.256 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.509 -6.039 1.183 1.00 0.00 O ATOM 0 H GLU A 74 12.888 -6.701 4.569 1.00 0.00 H new ATOM 0 HA GLU A 74 12.661 -4.209 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.837 -6.980 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.167 -5.474 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.017 -5.026 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.717 -6.592 3.607 1.00 0.00 H new ATOM 1236 N ILE A 75 10.215 -6.334 2.670 1.00 0.00 N ATOM 1237 CA ILE A 75 8.849 -6.433 2.179 1.00 0.00 C ATOM 1238 C ILE A 75 7.955 -5.428 2.900 1.00 0.00 C ATOM 1239 O ILE A 75 7.205 -4.694 2.263 1.00 0.00 O ATOM 1240 CB ILE A 75 8.276 -7.859 2.361 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.146 -8.886 1.630 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.837 -7.934 1.861 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.197 -8.689 0.131 1.00 0.00 C ATOM 0 H ILE A 75 10.594 -7.205 3.042 1.00 0.00 H new ATOM 0 HA ILE A 75 8.869 -6.209 1.112 1.00 0.00 H new ATOM 0 HB ILE A 75 8.282 -8.092 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.160 -8.838 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.767 -9.886 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.456 -8.946 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.219 -7.234 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.806 -7.676 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.832 -9.454 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.191 -8.767 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.605 -7.703 -0.093 1.00 0.00 H new ATOM 1255 N ALA A 76 8.073 -5.382 4.226 1.00 0.00 N ATOM 1256 CA ALA A 76 7.293 -4.455 5.039 1.00 0.00 C ATOM 1257 C ALA A 76 7.535 -3.010 4.615 1.00 0.00 C ATOM 1258 O ALA A 76 6.595 -2.274 4.320 1.00 0.00 O ATOM 1259 CB ALA A 76 7.632 -4.634 6.511 1.00 0.00 C ATOM 0 H ALA A 76 8.704 -5.979 4.760 1.00 0.00 H new ATOM 0 HA ALA A 76 6.237 -4.679 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.044 -3.937 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.403 -5.655 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.693 -4.439 6.666 1.00 0.00 H new ATOM 1265 N MET A 77 8.806 -2.619 4.568 1.00 0.00 N ATOM 1266 CA MET A 77 9.178 -1.251 4.214 1.00 0.00 C ATOM 1267 C MET A 77 8.750 -0.907 2.788 1.00 0.00 C ATOM 1268 O MET A 77 8.303 0.205 2.522 1.00 0.00 O ATOM 1269 CB MET A 77 10.689 -1.048 4.351 1.00 0.00 C ATOM 1270 CG MET A 77 11.227 -1.321 5.747 1.00 0.00 C ATOM 1271 SD MET A 77 12.990 -0.970 5.892 1.00 0.00 S ATOM 1272 CE MET A 77 13.660 -2.099 4.673 1.00 0.00 C ATOM 0 H MET A 77 9.597 -3.231 4.771 1.00 0.00 H new ATOM 0 HA MET A 77 8.658 -0.587 4.905 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.198 -1.701 3.643 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.934 -0.023 4.073 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.679 -0.715 6.468 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.046 -2.365 6.005 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.748 -2.039 4.681 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.351 -3.117 4.911 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.289 -1.829 3.684 1.00 0.00 H new ATOM 1282 N ARG A 78 8.883 -1.862 1.875 1.00 0.00 N ATOM 1283 CA ARG A 78 8.557 -1.618 0.475 1.00 0.00 C ATOM 1284 C ARG A 78 7.049 -1.557 0.259 1.00 0.00 C ATOM 1285 O ARG A 78 6.568 -0.711 -0.490 1.00 0.00 O ATOM 1286 CB ARG A 78 9.202 -2.668 -0.431 1.00 0.00 C ATOM 1287 CG ARG A 78 10.713 -2.521 -0.507 1.00 0.00 C ATOM 1288 CD ARG A 78 11.343 -3.514 -1.469 1.00 0.00 C ATOM 1289 NE ARG A 78 12.774 -3.261 -1.624 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.671 -4.190 -1.939 1.00 0.00 C ATOM 1291 NH1 ARG A 78 13.291 -5.439 -2.178 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.953 -3.867 -2.021 1.00 0.00 N ATOM 0 H ARG A 78 9.212 -2.806 2.077 1.00 0.00 H new ATOM 0 HA ARG A 78 8.968 -0.645 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.955 -3.663 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.781 -2.587 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.962 -1.507 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.140 -2.661 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.188 -4.529 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.851 -3.447 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 78 13.107 -2.308 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.304 -5.692 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.985 -6.146 -2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.250 -2.908 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.644 -4.578 -2.262 1.00 0.00 H new ATOM 1306 N VAL A 79 6.301 -2.434 0.924 1.00 0.00 N ATOM 1307 CA VAL A 79 4.842 -2.370 0.878 1.00 0.00 C ATOM 1308 C VAL A 79 4.373 -1.054 1.483 1.00 0.00 C ATOM 1309 O VAL A 79 3.466 -0.400 0.966 1.00 0.00 O ATOM 1310 CB VAL A 79 4.184 -3.560 1.617 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.679 -3.363 1.749 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.479 -4.860 0.886 1.00 0.00 C ATOM 0 H VAL A 79 6.676 -3.191 1.496 1.00 0.00 H new ATOM 0 HA VAL A 79 4.536 -2.430 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 79 4.608 -3.610 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.245 -4.215 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.479 -2.451 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.234 -3.282 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.011 -5.690 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.081 -4.806 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.557 -5.018 0.845 1.00 0.00 H new ATOM 1322 N LYS A 80 5.031 -0.658 2.565 1.00 0.00 N ATOM 1323 CA LYS A 80 4.776 0.625 3.200 1.00 0.00 C ATOM 1324 C LYS A 80 5.126 1.772 2.250 1.00 0.00 C ATOM 1325 O LYS A 80 4.448 2.798 2.228 1.00 0.00 O ATOM 1326 CB LYS A 80 5.572 0.718 4.507 1.00 0.00 C ATOM 1327 CG LYS A 80 5.607 2.096 5.143 1.00 0.00 C ATOM 1328 CD LYS A 80 6.101 2.017 6.577 1.00 0.00 C ATOM 1329 CE LYS A 80 6.529 3.372 7.105 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.840 3.795 6.546 1.00 0.00 N ATOM 0 H LYS A 80 5.752 -1.215 3.024 1.00 0.00 H new ATOM 0 HA LYS A 80 3.715 0.708 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.148 0.015 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.596 0.398 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.258 2.752 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.610 2.537 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.311 1.614 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.940 1.324 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.771 4.115 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.593 3.334 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.170 4.647 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.534 3.031 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.734 4.003 5.533 1.00 0.00 H new ATOM 1344 N GLN A 81 6.172 1.581 1.450 1.00 0.00 N ATOM 1345 CA GLN A 81 6.573 2.570 0.455 1.00 0.00 C ATOM 1346 C GLN A 81 5.506 2.700 -0.630 1.00 0.00 C ATOM 1347 O GLN A 81 5.132 3.815 -1.010 1.00 0.00 O ATOM 1348 CB GLN A 81 7.921 2.193 -0.167 1.00 0.00 C ATOM 1349 CG GLN A 81 8.440 3.209 -1.174 1.00 0.00 C ATOM 1350 CD GLN A 81 8.648 4.584 -0.564 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.726 4.897 -0.055 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.623 5.420 -0.621 1.00 0.00 N ATOM 0 H GLN A 81 6.759 0.747 1.472 1.00 0.00 H new ATOM 0 HA GLN A 81 6.680 3.533 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.657 2.075 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.825 1.225 -0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.383 2.854 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.736 3.286 -2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.747 5.124 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.710 6.360 -0.235 1.00 0.00 H new ATOM 1361 N TYR A 82 5.022 1.561 -1.129 1.00 0.00 N ATOM 1362 CA TYR A 82 3.918 1.554 -2.084 1.00 0.00 C ATOM 1363 C TYR A 82 2.719 2.277 -1.487 1.00 0.00 C ATOM 1364 O TYR A 82 2.135 3.160 -2.114 1.00 0.00 O ATOM 1365 CB TYR A 82 3.505 0.123 -2.450 1.00 0.00 C ATOM 1366 CG TYR A 82 4.638 -0.767 -2.917 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.634 -0.293 -3.764 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.701 -2.095 -2.514 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.660 -1.118 -4.193 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.723 -2.921 -2.935 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.700 -2.431 -3.774 1.00 0.00 C ATOM 1372 OH TYR A 82 7.717 -3.261 -4.197 1.00 0.00 O ATOM 0 H TYR A 82 5.377 0.636 -0.887 1.00 0.00 H new ATOM 0 HA TYR A 82 4.255 2.061 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.035 -0.338 -1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.750 0.168 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.607 0.735 -4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.937 -2.488 -1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.425 -0.735 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.757 -3.950 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 82 8.395 -3.333 -3.493 1.00 0.00 H new ATOM 1382 N ALA A 83 2.377 1.901 -0.257 1.00 0.00 N ATOM 1383 CA ALA A 83 1.257 2.499 0.456 1.00 0.00 C ATOM 1384 C ALA A 83 1.443 4.003 0.620 1.00 0.00 C ATOM 1385 O ALA A 83 0.488 4.763 0.502 1.00 0.00 O ATOM 1386 CB ALA A 83 1.078 1.836 1.814 1.00 0.00 C ATOM 0 H ALA A 83 2.867 1.177 0.269 1.00 0.00 H new ATOM 0 HA ALA A 83 0.357 2.336 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.237 2.294 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.884 0.772 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.985 1.966 2.405 1.00 0.00 H new ATOM 1392 N THR A 84 2.675 4.430 0.881 1.00 0.00 N ATOM 1393 CA THR A 84 2.984 5.849 1.018 1.00 0.00 C ATOM 1394 C THR A 84 2.609 6.609 -0.256 1.00 0.00 C ATOM 1395 O THR A 84 2.049 7.708 -0.197 1.00 0.00 O ATOM 1396 CB THR A 84 4.481 6.070 1.332 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.839 5.392 2.545 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.798 7.551 1.473 1.00 0.00 C ATOM 0 H THR A 84 3.477 3.812 1.002 1.00 0.00 H new ATOM 0 HA THR A 84 2.395 6.233 1.851 1.00 0.00 H new ATOM 0 HB THR A 84 5.059 5.665 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.896 4.428 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.858 7.677 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.558 8.065 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.206 7.974 2.284 1.00 0.00 H new ATOM 1406 N ALA A 85 2.892 6.003 -1.406 1.00 0.00 N ATOM 1407 CA ALA A 85 2.549 6.602 -2.688 1.00 0.00 C ATOM 1408 C ALA A 85 1.037 6.628 -2.875 1.00 0.00 C ATOM 1409 O ALA A 85 0.479 7.600 -3.386 1.00 0.00 O ATOM 1410 CB ALA A 85 3.219 5.846 -3.827 1.00 0.00 C ATOM 0 H ALA A 85 3.358 5.098 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 85 2.914 7.629 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.951 6.308 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.301 5.880 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.885 4.808 -3.821 1.00 0.00 H new ATOM 1416 N ILE A 86 0.379 5.557 -2.441 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.074 5.466 -2.502 1.00 0.00 C ATOM 1418 C ILE A 86 -1.713 6.517 -1.595 1.00 0.00 C ATOM 1419 O ILE A 86 -2.712 7.135 -1.953 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.572 4.062 -2.085 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -0.927 2.986 -2.963 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.091 3.983 -2.175 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.295 1.570 -2.563 1.00 0.00 C ATOM 0 H ILE A 86 0.833 4.736 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.368 5.646 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.281 3.886 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.223 3.150 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.157 3.096 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.422 2.988 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.534 4.726 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.405 4.179 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.801 0.863 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.974 1.387 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.375 1.441 -2.634 1.00 0.00 H new ATOM 1435 N MET A 87 -1.117 6.725 -0.426 1.00 0.00 N ATOM 1436 CA MET A 87 -1.623 7.706 0.527 1.00 0.00 C ATOM 1437 C MET A 87 -1.485 9.117 -0.024 1.00 0.00 C ATOM 1438 O MET A 87 -2.372 9.946 0.158 1.00 0.00 O ATOM 1439 CB MET A 87 -0.888 7.599 1.863 1.00 0.00 C ATOM 1440 CG MET A 87 -1.087 6.269 2.566 1.00 0.00 C ATOM 1441 SD MET A 87 -0.171 6.164 4.112 1.00 0.00 S ATOM 1442 CE MET A 87 -0.382 4.428 4.500 1.00 0.00 C ATOM 0 H MET A 87 -0.283 6.227 -0.116 1.00 0.00 H new ATOM 0 HA MET A 87 -2.680 7.493 0.690 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.178 7.755 1.694 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.227 8.401 2.519 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.148 6.122 2.765 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.772 5.461 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 87 -0.044 4.239 5.519 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.435 4.161 4.411 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.205 3.826 3.806 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.377 9.387 -0.708 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.183 10.688 -1.333 1.00 0.00 C ATOM 1454 C ARG A 88 -1.193 10.871 -2.460 1.00 0.00 C ATOM 1455 O ARG A 88 -1.728 11.961 -2.658 1.00 0.00 O ATOM 1456 CB ARG A 88 1.250 10.847 -1.848 1.00 0.00 C ATOM 1457 CG ARG A 88 1.498 12.171 -2.560 1.00 0.00 C ATOM 1458 CD ARG A 88 2.984 12.468 -2.715 1.00 0.00 C ATOM 1459 NE ARG A 88 3.714 11.370 -3.352 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.198 11.411 -4.593 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.012 12.484 -5.354 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.877 10.374 -5.066 1.00 0.00 N ATOM 0 H ARG A 88 0.391 8.730 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.345 11.463 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.941 10.760 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.475 10.028 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.029 12.147 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.024 12.977 -2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.110 13.375 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.416 12.665 -1.734 1.00 0.00 H new ATOM 0 HE ARG A 88 3.862 10.518 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.495 13.284 -4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.386 12.507 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.026 9.552 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.250 10.399 -6.015 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.468 9.788 -3.177 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.506 9.788 -4.197 1.00 0.00 C ATOM 1478 C TYR A 89 -3.867 10.031 -3.548 1.00 0.00 C ATOM 1479 O TYR A 89 -4.706 10.754 -4.087 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.501 8.459 -4.963 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.550 8.367 -6.048 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.397 9.048 -7.249 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.693 7.598 -5.871 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.355 8.965 -8.241 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.656 7.512 -6.857 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.483 8.197 -8.041 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.445 8.117 -9.023 1.00 0.00 O ATOM 0 H TYR A 89 -0.984 8.897 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.308 10.590 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.518 8.314 -5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.653 7.644 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.516 9.651 -7.410 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.831 7.058 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.221 9.500 -9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.540 6.911 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.173 7.534 -8.721 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.066 9.433 -2.379 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.290 9.613 -1.607 1.00 0.00 C ATOM 1499 C ALA A 90 -5.472 11.071 -1.203 1.00 0.00 C ATOM 1500 O ALA A 90 -6.578 11.603 -1.259 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.273 8.717 -0.377 1.00 0.00 C ATOM 0 H ALA A 90 -3.386 8.812 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.135 9.330 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.192 8.861 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.197 7.675 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.417 8.973 0.248 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.383 11.713 -0.798 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.419 13.129 -0.454 1.00 0.00 C ATOM 1509 C VAL A 91 -4.788 13.962 -1.679 1.00 0.00 C ATOM 1510 O VAL A 91 -5.558 14.917 -1.584 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.067 13.614 0.116 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.107 15.105 0.420 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.708 12.835 1.369 1.00 0.00 C ATOM 0 H VAL A 91 -3.466 11.277 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.178 13.258 0.318 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.301 13.438 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.143 15.421 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.319 15.657 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.888 15.306 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.753 13.190 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.482 12.981 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.631 11.775 1.129 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.255 13.575 -2.834 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.567 14.248 -4.094 1.00 0.00 C ATOM 1525 C GLN A 92 -6.047 14.104 -4.437 1.00 0.00 C ATOM 1526 O GLN A 92 -6.641 14.984 -5.061 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.720 13.680 -5.233 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.234 13.965 -5.099 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.419 13.301 -6.191 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.882 12.153 -6.661 1.00 0.00 O flip ATOM 1531 NE2 GLN A 92 -0.381 13.810 -6.608 1.00 0.00 N flip ATOM 0 H GLN A 92 -3.603 12.796 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.336 15.306 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.870 12.601 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.075 14.093 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.069 15.042 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.886 13.617 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.056 14.696 -6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.156 13.346 -7.341 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.637 12.990 -4.030 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.058 12.755 -4.248 1.00 0.00 C ATOM 1542 C GLN A 93 -8.873 13.273 -3.063 1.00 0.00 C ATOM 1543 O GLN A 93 -10.085 13.051 -2.986 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.331 11.265 -4.471 1.00 0.00 C ATOM 1545 CG GLN A 93 -7.615 10.672 -5.683 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.034 11.300 -7.004 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.385 12.478 -7.072 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -7.997 10.518 -8.070 1.00 0.00 N ATOM 0 H GLN A 93 -6.154 12.233 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.361 13.298 -5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.030 10.715 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.404 11.117 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.540 10.796 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.810 9.600 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.701 9.546 -7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.264 10.887 -8.983 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.184 13.957 -2.144 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.813 14.583 -0.981 1.00 0.00 C ATOM 1559 C LYS A 94 -9.525 13.545 -0.119 1.00 0.00 C ATOM 1560 O LYS A 94 -10.622 13.773 0.391 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.762 15.695 -1.443 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.022 16.814 -2.162 1.00 0.00 C ATOM 1563 CD LYS A 94 -9.963 17.790 -2.841 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.183 18.878 -3.566 1.00 0.00 C ATOM 1565 NZ LYS A 94 -10.071 19.796 -4.324 1.00 0.00 N ATOM 0 H LYS A 94 -7.174 14.091 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.042 15.033 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.517 15.274 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.288 16.104 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.400 17.352 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.352 16.383 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.597 17.257 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.623 18.242 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.604 19.451 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.471 18.417 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.496 20.520 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.605 19.255 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.734 20.257 -3.669 1.00 0.00 H new ATOM 1579 N MET A 95 -8.866 12.407 0.048 1.00 0.00 N ATOM 1580 CA MET A 95 -9.406 11.300 0.822 1.00 0.00 C ATOM 1581 C MET A 95 -9.003 11.404 2.287 1.00 0.00 C ATOM 1582 O MET A 95 -9.847 11.349 3.178 1.00 0.00 O ATOM 1583 CB MET A 95 -8.901 9.976 0.251 1.00 0.00 C ATOM 1584 CG MET A 95 -9.353 9.715 -1.173 1.00 0.00 C ATOM 1585 SD MET A 95 -8.434 8.383 -1.966 1.00 0.00 S ATOM 1586 CE MET A 95 -8.554 7.095 -0.727 1.00 0.00 C ATOM 0 H MET A 95 -7.944 12.226 -0.349 1.00 0.00 H new ATOM 0 HA MET A 95 -10.493 11.342 0.759 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.812 9.968 0.284 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.245 9.161 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.415 9.467 -1.173 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.239 10.627 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.108 6.178 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.024 7.406 0.173 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.602 6.917 -0.488 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.708 11.557 2.529 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.184 11.552 3.888 1.00 0.00 C ATOM 1598 C ILE A 96 -6.510 12.873 4.230 1.00 0.00 C ATOM 1599 O ILE A 96 -6.095 13.624 3.344 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.181 10.398 4.109 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.022 10.493 3.113 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.885 9.055 3.987 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.958 9.435 3.312 1.00 0.00 C ATOM 0 H ILE A 96 -7.002 11.686 1.804 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.039 11.407 4.548 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.772 10.483 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.418 10.411 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.562 11.478 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.166 8.251 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.674 8.988 4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.321 8.962 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.171 9.567 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.534 9.529 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.402 8.446 3.198 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.403 13.143 5.521 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.768 14.358 6.006 1.00 0.00 C ATOM 1617 C ARG A 97 -4.271 14.124 6.168 1.00 0.00 C ATOM 1618 O ARG A 97 -3.792 13.830 7.269 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.400 14.787 7.336 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.898 15.029 7.239 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.586 14.902 8.593 1.00 0.00 C ATOM 1622 NE ARG A 97 -8.245 15.986 9.518 1.00 0.00 N ATOM 1623 CZ ARG A 97 -8.063 15.805 10.827 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -8.090 14.577 11.333 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -7.845 16.843 11.628 1.00 0.00 N ATOM 0 H ARG A 97 -6.751 12.530 6.258 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.919 15.160 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.211 14.018 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.913 15.698 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.079 16.024 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.336 14.315 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.666 14.886 8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.312 13.948 9.044 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.141 16.928 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.249 13.777 10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.951 14.434 12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.816 17.787 11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.707 16.696 12.628 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.556 14.211 5.043 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.110 13.976 4.988 1.00 0.00 C ATOM 1641 C PHE A 98 -1.793 12.494 5.188 1.00 0.00 C ATOM 1642 O PHE A 98 -2.649 11.716 5.612 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.359 14.833 6.015 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.488 16.314 5.785 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.686 16.956 4.856 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -2.409 17.062 6.500 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -0.801 18.316 4.643 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -2.528 18.423 6.293 1.00 0.00 C ATOM 1649 CZ PHE A 98 -1.723 19.050 5.364 1.00 0.00 C ATOM 0 H PHE A 98 -3.966 14.448 4.140 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.768 14.272 3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.731 14.596 7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.303 14.563 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.038 16.387 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.042 16.576 7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.171 18.805 3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.250 18.995 6.857 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.814 20.114 5.201 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.565 12.103 4.873 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.170 10.698 4.942 1.00 0.00 C ATOM 1661 C ASN A 99 0.164 10.302 6.374 1.00 0.00 C ATOM 1662 O ASN A 99 1.091 10.848 6.975 1.00 0.00 O ATOM 1663 CB ASN A 99 1.051 10.402 4.056 1.00 0.00 C ATOM 1664 CG ASN A 99 0.872 10.784 2.595 1.00 0.00 C ATOM 1665 OD1 ASN A 99 0.212 11.764 2.264 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.471 10.008 1.705 1.00 0.00 N ATOM 0 H ASN A 99 0.175 12.736 4.568 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.018 10.117 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.913 10.936 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.279 9.338 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.391 10.217 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.012 9.201 2.014 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.577 9.341 6.943 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.296 8.814 8.283 1.00 0.00 C ATOM 1675 C PRO A 100 1.028 8.055 8.329 1.00 0.00 C ATOM 1676 O PRO A 100 1.596 7.837 9.397 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.470 7.864 8.560 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.509 8.218 7.550 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.761 8.706 6.346 1.00 0.00 C ATOM 0 HA PRO A 100 -0.202 9.610 9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.165 6.822 8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.848 7.991 9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.125 7.353 7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.179 8.988 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.490 7.889 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.350 9.413 5.762 1.00 0.00 H new ATOM 1687 N ALA A 101 1.532 7.681 7.154 1.00 0.00 N ATOM 1688 CA ALA A 101 2.768 6.910 7.058 1.00 0.00 C ATOM 1689 C ALA A 101 4.001 7.775 7.309 1.00 0.00 C ATOM 1690 O ALA A 101 5.130 7.303 7.206 1.00 0.00 O ATOM 1691 CB ALA A 101 2.869 6.233 5.700 1.00 0.00 C ATOM 0 H ALA A 101 1.102 7.900 6.255 1.00 0.00 H new ATOM 0 HA ALA A 101 2.736 6.147 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.796 5.663 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.021 5.561 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.862 6.989 4.915 1.00 0.00 H new ATOM 1697 N TYR A 102 3.788 9.047 7.627 1.00 0.00 N ATOM 1698 CA TYR A 102 4.887 9.918 8.022 1.00 0.00 C ATOM 1699 C TYR A 102 5.130 9.797 9.522 1.00 0.00 C ATOM 1700 O TYR A 102 5.993 10.483 10.075 1.00 0.00 O ATOM 1701 CB TYR A 102 4.599 11.381 7.659 1.00 0.00 C ATOM 1702 CG TYR A 102 4.559 11.657 6.168 1.00 0.00 C ATOM 1703 CD1 TYR A 102 5.547 11.168 5.322 1.00 0.00 C ATOM 1704 CD2 TYR A 102 3.534 12.412 5.611 1.00 0.00 C ATOM 1705 CE1 TYR A 102 5.512 11.420 3.962 1.00 0.00 C ATOM 1706 CE2 TYR A 102 3.494 12.668 4.254 1.00 0.00 C ATOM 1707 CZ TYR A 102 4.483 12.171 3.434 1.00 0.00 C ATOM 1708 OH TYR A 102 4.442 12.428 2.080 1.00 0.00 O ATOM 0 H TYR A 102 2.872 9.495 7.619 1.00 0.00 H new ATOM 0 HA TYR A 102 5.778 9.603 7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.643 11.670 8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.362 12.013 8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.356 10.582 5.733 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.756 12.805 6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.286 11.031 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.690 13.256 3.837 1.00 0.00 H new ATOM 0 HH TYR A 102 3.652 12.970 1.874 1.00 0.00 H new ATOM 1718 N ASP A 103 4.362 8.906 10.158 1.00 0.00 N ATOM 1719 CA ASP A 103 4.424 8.681 11.603 1.00 0.00 C ATOM 1720 C ASP A 103 4.010 9.929 12.357 1.00 0.00 C ATOM 1721 O ASP A 103 4.806 10.847 12.552 1.00 0.00 O ATOM 1722 CB ASP A 103 5.819 8.228 12.050 1.00 0.00 C ATOM 1723 CG ASP A 103 6.093 6.781 11.703 1.00 0.00 C ATOM 1724 OD1 ASP A 103 6.562 6.512 10.579 1.00 0.00 O ATOM 1725 OD2 ASP A 103 5.832 5.902 12.554 1.00 0.00 O ATOM 0 H ASP A 103 3.677 8.319 9.681 1.00 0.00 H new ATOM 0 HA ASP A 103 3.724 7.878 11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.572 8.861 11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.915 8.365 13.127 1.00 0.00 H new ATOM 1730 N LEU A 104 2.757 9.967 12.781 1.00 0.00 N ATOM 1731 CA LEU A 104 2.220 11.158 13.419 1.00 0.00 C ATOM 1732 C LEU A 104 2.749 11.273 14.845 1.00 0.00 C ATOM 1733 O LEU A 104 2.798 12.369 15.408 1.00 0.00 O ATOM 1734 CB LEU A 104 0.686 11.145 13.427 1.00 0.00 C ATOM 1735 CG LEU A 104 -0.002 10.697 12.127 1.00 0.00 C ATOM 1736 CD1 LEU A 104 -1.465 11.109 12.138 1.00 0.00 C ATOM 1737 CD2 LEU A 104 0.696 11.247 10.891 1.00 0.00 C ATOM 0 H LEU A 104 2.097 9.194 12.696 1.00 0.00 H new ATOM 0 HA LEU A 104 2.546 12.023 12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.354 10.489 14.232 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.337 12.149 13.669 1.00 0.00 H new ATOM 0 HG LEU A 104 0.065 9.610 12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.941 10.786 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.968 10.644 12.986 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.537 12.193 12.224 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.175 10.905 9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.686 12.337 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.727 10.894 10.868 1.00 0.00 H new ATOM 1749 N GLU A 105 3.147 10.132 15.416 1.00 0.00 N ATOM 1750 CA GLU A 105 3.734 10.083 16.757 1.00 0.00 C ATOM 1751 C GLU A 105 2.752 10.593 17.810 1.00 0.00 C ATOM 1752 O GLU A 105 3.154 11.176 18.818 1.00 0.00 O ATOM 1753 CB GLU A 105 5.023 10.910 16.803 1.00 0.00 C ATOM 1754 CG GLU A 105 6.076 10.451 15.809 1.00 0.00 C ATOM 1755 CD GLU A 105 7.290 11.353 15.794 1.00 0.00 C ATOM 1756 OE1 GLU A 105 7.263 12.382 15.082 1.00 0.00 O ATOM 1757 OE2 GLU A 105 8.277 11.036 16.486 1.00 0.00 O ATOM 0 H GLU A 105 3.072 9.221 14.964 1.00 0.00 H new ATOM 0 HA GLU A 105 3.966 9.042 16.982 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.782 11.955 16.607 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.440 10.862 17.809 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.385 9.435 16.055 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.639 10.418 14.811 1.00 0.00 H new ATOM 1764 N GLY A 106 1.467 10.355 17.586 1.00 0.00 N ATOM 1765 CA GLY A 106 0.454 10.859 18.491 1.00 0.00 C ATOM 1766 C GLY A 106 -0.197 12.114 17.950 1.00 0.00 C ATOM 1767 O GLY A 106 -1.164 12.623 18.525 1.00 0.00 O ATOM 0 H GLY A 106 1.108 9.822 16.794 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.306 10.094 18.651 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.904 11.070 19.461 1.00 0.00 H new ATOM 1771 N ALA A 107 0.354 12.610 16.844 1.00 0.00 N ATOM 1772 CA ALA A 107 -0.167 13.784 16.149 1.00 0.00 C ATOM 1773 C ALA A 107 -0.088 15.032 17.021 1.00 0.00 C ATOM 1774 O ALA A 107 0.636 15.067 18.021 1.00 0.00 O ATOM 1775 CB ALA A 107 -1.597 13.542 15.680 1.00 0.00 C ATOM 0 H ALA A 107 1.180 12.206 16.403 1.00 0.00 H new ATOM 0 HA ALA A 107 0.459 13.954 15.273 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.966 14.429 15.165 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.617 12.692 14.998 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.232 13.332 16.541 1.00 0.00 H new ATOM 1781 N VAL A 108 -0.818 16.060 16.623 1.00 0.00 N ATOM 1782 CA VAL A 108 -0.844 17.307 17.364 1.00 0.00 C ATOM 1783 C VAL A 108 -1.938 17.279 18.423 1.00 0.00 C ATOM 1784 O VAL A 108 -3.002 16.694 18.218 1.00 0.00 O ATOM 1785 CB VAL A 108 -1.061 18.521 16.435 1.00 0.00 C ATOM 1786 CG1 VAL A 108 0.166 18.751 15.565 1.00 0.00 C ATOM 1787 CG2 VAL A 108 -2.298 18.332 15.567 1.00 0.00 C ATOM 0 H VAL A 108 -1.402 16.054 15.787 1.00 0.00 H new ATOM 0 HA VAL A 108 0.128 17.413 17.846 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.217 19.400 17.060 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.004 19.610 14.916 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.032 18.941 16.200 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.350 17.867 14.955 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.427 19.202 14.923 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.178 17.440 14.952 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.175 18.219 16.204 1.00 0.00 H new ATOM 1797 N GLN A 109 -1.661 17.898 19.559 1.00 0.00 N ATOM 1798 CA GLN A 109 -2.638 17.998 20.632 1.00 0.00 C ATOM 1799 C GLN A 109 -3.672 19.060 20.285 1.00 0.00 C ATOM 1800 O GLN A 109 -4.862 18.911 20.572 1.00 0.00 O ATOM 1801 CB GLN A 109 -1.941 18.333 21.950 1.00 0.00 C ATOM 1802 CG GLN A 109 -0.871 17.322 22.331 1.00 0.00 C ATOM 1803 CD GLN A 109 -0.143 17.680 23.610 1.00 0.00 C ATOM 1804 OE1 GLN A 109 0.000 18.854 23.956 1.00 0.00 O ATOM 1805 NE2 GLN A 109 0.330 16.666 24.318 1.00 0.00 N ATOM 0 H GLN A 109 -0.765 18.340 19.763 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.145 17.040 20.748 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.488 19.322 21.874 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.685 18.383 22.745 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.331 16.340 22.445 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.148 17.243 21.519 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.189 15.709 23.995 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.835 16.842 25.186 1.00 0.00 H new ATOM 1814 N LYS A 110 -3.203 20.132 19.666 1.00 0.00 N ATOM 1815 CA LYS A 110 -4.077 21.166 19.140 1.00 0.00 C ATOM 1816 C LYS A 110 -4.206 21.001 17.630 1.00 0.00 C ATOM 1817 O LYS A 110 -3.316 21.394 16.873 1.00 0.00 O ATOM 1818 CB LYS A 110 -3.530 22.554 19.478 1.00 0.00 C ATOM 1819 CG LYS A 110 -3.498 22.853 20.968 1.00 0.00 C ATOM 1820 CD LYS A 110 -2.789 24.167 21.252 1.00 0.00 C ATOM 1821 CE LYS A 110 -2.824 24.517 22.730 1.00 0.00 C ATOM 1822 NZ LYS A 110 -2.021 25.733 23.026 1.00 0.00 N ATOM 0 H LYS A 110 -2.210 20.309 19.515 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.061 21.068 19.598 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.521 22.644 19.077 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.140 23.307 18.979 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.516 22.896 21.355 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.991 22.043 21.493 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.753 24.101 20.918 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.259 24.965 20.678 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.856 24.678 23.042 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.442 23.678 23.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.068 25.941 24.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.031 25.571 22.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.401 26.539 22.490 1.00 0.00 H new ATOM 1836 N LEU A 111 -5.309 20.406 17.201 1.00 0.00 N ATOM 1837 CA LEU A 111 -5.510 20.089 15.793 1.00 0.00 C ATOM 1838 C LEU A 111 -5.900 21.330 15.004 1.00 0.00 C ATOM 1839 O LEU A 111 -6.252 22.361 15.578 1.00 0.00 O ATOM 1840 CB LEU A 111 -6.586 19.009 15.614 1.00 0.00 C ATOM 1841 CG LEU A 111 -6.197 17.597 16.070 1.00 0.00 C ATOM 1842 CD1 LEU A 111 -6.226 17.476 17.587 1.00 0.00 C ATOM 1843 CD2 LEU A 111 -7.116 16.567 15.438 1.00 0.00 C ATOM 0 H LEU A 111 -6.081 20.132 17.809 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.563 19.708 15.410 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.476 19.315 16.163 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.860 18.967 14.560 1.00 0.00 H new ATOM 0 HG LEU A 111 -5.175 17.408 15.741 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.945 16.463 17.877 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -5.523 18.186 18.022 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.231 17.692 17.950 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.828 15.570 15.771 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.145 16.766 15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.035 16.625 14.353 1.00 0.00 H new ATOM 1855 N GLU A 112 -5.834 21.220 13.684 1.00 0.00 N ATOM 1856 CA GLU A 112 -6.195 22.322 12.807 1.00 0.00 C ATOM 1857 C GLU A 112 -7.692 22.604 12.878 1.00 0.00 C ATOM 1858 O GLU A 112 -8.106 23.752 13.040 1.00 0.00 O ATOM 1859 CB GLU A 112 -5.726 22.046 11.369 1.00 0.00 C ATOM 1860 CG GLU A 112 -5.639 20.569 10.995 1.00 0.00 C ATOM 1861 CD GLU A 112 -6.931 20.015 10.430 1.00 0.00 C ATOM 1862 OE1 GLU A 112 -7.144 20.125 9.204 1.00 0.00 O ATOM 1863 OE2 GLU A 112 -7.739 19.470 11.206 1.00 0.00 O ATOM 0 H GLU A 112 -5.533 20.376 13.197 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.683 23.222 13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.408 22.541 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.745 22.500 11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.843 20.433 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.361 19.994 11.878 1.00 0.00 H new ATOM 1870 N HIS A 113 -8.499 21.560 12.776 1.00 0.00 N ATOM 1871 CA HIS A 113 -9.935 21.686 12.975 1.00 0.00 C ATOM 1872 C HIS A 113 -10.315 21.186 14.361 1.00 0.00 C ATOM 1873 O HIS A 113 -10.069 20.031 14.702 1.00 0.00 O ATOM 1874 CB HIS A 113 -10.711 20.901 11.911 1.00 0.00 C ATOM 1875 CG HIS A 113 -10.644 21.503 10.542 1.00 0.00 C ATOM 1876 ND1 HIS A 113 -9.725 21.117 9.593 1.00 0.00 N ATOM 1877 CD2 HIS A 113 -11.401 22.461 9.960 1.00 0.00 C ATOM 1878 CE1 HIS A 113 -9.919 21.811 8.489 1.00 0.00 C ATOM 1879 NE2 HIS A 113 -10.931 22.632 8.683 1.00 0.00 N ATOM 0 H HIS A 113 -8.184 20.615 12.556 1.00 0.00 H new ATOM 0 HA HIS A 113 -10.198 22.740 12.884 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -10.322 19.884 11.869 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -11.755 20.831 12.215 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -12.223 22.993 10.416 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -9.345 21.722 7.579 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -11.304 23.287 7.996 1.00 0.00 H new ATOM 1888 N HIS A 114 -10.904 22.061 15.160 1.00 0.00 N ATOM 1889 CA HIS A 114 -11.341 21.691 16.499 1.00 0.00 C ATOM 1890 C HIS A 114 -12.740 21.102 16.446 1.00 0.00 C ATOM 1891 O HIS A 114 -13.064 20.176 17.189 1.00 0.00 O ATOM 1892 CB HIS A 114 -11.299 22.895 17.445 1.00 0.00 C ATOM 1893 CG HIS A 114 -9.920 23.227 17.933 1.00 0.00 C ATOM 1894 ND1 HIS A 114 -9.665 23.701 19.201 1.00 0.00 N ATOM 1895 CD2 HIS A 114 -8.718 23.144 17.320 1.00 0.00 C ATOM 1896 CE1 HIS A 114 -8.368 23.894 19.345 1.00 0.00 C ATOM 1897 NE2 HIS A 114 -7.770 23.564 18.218 1.00 0.00 N ATOM 0 H HIS A 114 -11.091 23.031 14.906 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.656 20.938 16.888 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.713 23.764 16.933 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.941 22.695 18.303 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.537 22.809 16.309 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -7.879 24.260 20.236 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.766 23.613 18.042 1.00 0.00 H new ATOM 1906 N HIS A 115 -13.559 21.638 15.554 1.00 0.00 N ATOM 1907 CA HIS A 115 -14.892 21.100 15.323 1.00 0.00 C ATOM 1908 C HIS A 115 -14.821 20.013 14.263 1.00 0.00 C ATOM 1909 O HIS A 115 -14.520 20.286 13.100 1.00 0.00 O ATOM 1910 CB HIS A 115 -15.865 22.199 14.879 1.00 0.00 C ATOM 1911 CG HIS A 115 -16.150 23.225 15.933 1.00 0.00 C ATOM 1912 ND1 HIS A 115 -17.276 23.200 16.723 1.00 0.00 N ATOM 1913 CD2 HIS A 115 -15.455 24.323 16.311 1.00 0.00 C ATOM 1914 CE1 HIS A 115 -17.261 24.235 17.540 1.00 0.00 C ATOM 1915 NE2 HIS A 115 -16.165 24.934 17.312 1.00 0.00 N ATOM 0 H HIS A 115 -13.324 22.446 14.977 1.00 0.00 H new ATOM 0 HA HIS A 115 -15.262 20.681 16.259 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -15.456 22.699 14.001 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -16.804 21.737 14.574 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -14.514 24.657 15.900 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -18.018 24.471 18.273 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -15.892 25.787 17.800 1.00 0.00 H new ATOM 1924 N HIS A 116 -15.079 18.780 14.666 1.00 0.00 N ATOM 1925 CA HIS A 116 -15.021 17.655 13.744 1.00 0.00 C ATOM 1926 C HIS A 116 -16.303 17.577 12.932 1.00 0.00 C ATOM 1927 O HIS A 116 -17.377 17.312 13.472 1.00 0.00 O ATOM 1928 CB HIS A 116 -14.790 16.341 14.495 1.00 0.00 C ATOM 1929 CG HIS A 116 -13.448 16.248 15.161 1.00 0.00 C ATOM 1930 ND1 HIS A 116 -12.462 15.375 14.756 1.00 0.00 N ATOM 1931 CD2 HIS A 116 -12.934 16.924 16.217 1.00 0.00 C ATOM 1932 CE1 HIS A 116 -11.402 15.518 15.530 1.00 0.00 C ATOM 1933 NE2 HIS A 116 -11.663 16.452 16.423 1.00 0.00 N ATOM 0 H HIS A 116 -15.330 18.532 15.623 1.00 0.00 H new ATOM 0 HA HIS A 116 -14.181 17.812 13.068 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -15.568 16.224 15.250 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -14.896 15.511 13.796 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -13.433 17.692 16.790 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -10.479 14.964 15.446 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -11.023 16.772 17.150 1.00 0.00 H new ATOM 1942 N HIS A 117 -16.188 17.834 11.639 1.00 0.00 N ATOM 1943 CA HIS A 117 -17.340 17.817 10.750 1.00 0.00 C ATOM 1944 C HIS A 117 -17.404 16.519 9.964 1.00 0.00 C ATOM 1945 O HIS A 117 -16.456 15.730 9.970 1.00 0.00 O ATOM 1946 CB HIS A 117 -17.294 19.002 9.782 1.00 0.00 C ATOM 1947 CG HIS A 117 -17.744 20.295 10.382 1.00 0.00 C ATOM 1948 ND1 HIS A 117 -18.942 20.891 10.064 1.00 0.00 N ATOM 1949 CD2 HIS A 117 -17.146 21.114 11.277 1.00 0.00 C ATOM 1950 CE1 HIS A 117 -19.063 22.019 10.733 1.00 0.00 C ATOM 1951 NE2 HIS A 117 -17.986 22.178 11.477 1.00 0.00 N ATOM 0 H HIS A 117 -15.305 18.058 11.180 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.234 17.896 11.368 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -16.274 19.119 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -17.920 18.777 8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -16.186 20.958 11.746 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -19.901 22.698 10.681 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -17.807 22.965 12.100 1.00 0.00 H new ATOM 1960 N HIS A 118 -18.531 16.298 9.308 1.00 0.00 N ATOM 1961 CA HIS A 118 -18.700 15.154 8.428 1.00 0.00 C ATOM 1962 C HIS A 118 -19.746 15.477 7.368 1.00 0.00 C ATOM 1963 O HIS A 118 -20.946 15.273 7.636 1.00 0.00 O ATOM 1964 CB HIS A 118 -19.114 13.908 9.218 1.00 0.00 C ATOM 1965 CG HIS A 118 -19.048 12.642 8.418 1.00 0.00 C ATOM 1966 ND1 HIS A 118 -18.032 11.723 8.553 1.00 0.00 N ATOM 1967 CD2 HIS A 118 -19.874 12.143 7.467 1.00 0.00 C ATOM 1968 CE1 HIS A 118 -18.232 10.720 7.723 1.00 0.00 C ATOM 1969 NE2 HIS A 118 -19.342 10.947 7.049 1.00 0.00 N ATOM 1970 OXT HIS A 118 -19.363 15.952 6.284 1.00 0.00 O ATOM 0 H HIS A 118 -19.350 16.903 9.370 1.00 0.00 H new ATOM 0 HA HIS A 118 -17.746 14.943 7.945 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -18.469 13.810 10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -20.131 14.043 9.587 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -20.783 12.601 7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.593 9.856 7.613 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -19.740 10.336 6.336 1.00 0.00 H new TER 1979 HIS A 118