USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 Single : A 1 MET CE :methyl -152:sc= -0.272 (180deg=-1.37!) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.0085 (180deg=-0.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0278 K(o=-0.028,f=-1.9!) USER MOD Single : A 4 GLN : amide:sc= -1.86! C(o=-1.9!,f=-3.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 33:sc= 0.953 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0409 F(o=-1.2!,f=-0.041) USER MOD Single : A 12 CYS SG : rot 53:sc= 0.0487 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 42:sc= 0.607 USER MOD Single : A 39 SER OG : rot -147:sc= 0.221! USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.957 (180deg=0.904) USER MOD Single : A 43 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= -0.276 (180deg=-1.45!) USER MOD Single : A 51 TYR OH : rot 30:sc= -3.11! USER MOD Single : A 53 SER OG : rot -25:sc= 0.616 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.17) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00543 F(o=-1.4,f=-0.0054) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 77 HIS : no HD1:sc=-0.00383 X(o=-0.0038,f=-0.053) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= -3.76 (180deg=-5.54!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= -1.52 (180deg=-3.4!) USER MOD Single : A 95 THR OG1 : rot -83:sc= -0.278 USER MOD Single : A 103 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.3) USER MOD Single : A 104 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.31) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.461 F(o=-1,f=-0.46) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 107 HIS : no HE2:sc= 0.502 K(o=0.5,f=-1.9!) USER MOD Single : A 108 HIS : no HD1:sc= -1.54! C(o=-1.5!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.027 2.196 8.930 1.00 0.00 N ATOM 2 CA MET A 1 29.702 3.488 8.620 1.00 0.00 C ATOM 3 C MET A 1 28.765 4.379 7.798 1.00 0.00 C ATOM 4 O MET A 1 27.882 3.907 7.111 1.00 0.00 O ATOM 5 CB MET A 1 30.982 3.215 7.821 1.00 0.00 C ATOM 6 CG MET A 1 31.994 2.463 8.692 1.00 0.00 C ATOM 7 SD MET A 1 32.497 3.497 10.093 1.00 0.00 S ATOM 8 CE MET A 1 33.334 4.794 9.147 1.00 0.00 C ATOM 0 H1 MET A 1 29.093 2.006 9.950 1.00 0.00 H new ATOM 0 H2 MET A 1 28.026 2.252 8.652 1.00 0.00 H new ATOM 0 H3 MET A 1 29.490 1.427 8.404 1.00 0.00 H new ATOM 0 HA MET A 1 29.954 3.996 9.551 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.748 2.628 6.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.413 4.155 7.477 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.554 1.534 9.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.867 2.192 8.098 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.115 5.245 9.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.780 4.361 8.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.612 5.558 8.859 1.00 0.00 H new ATOM 20 N SER A 2 28.957 5.669 7.871 1.00 0.00 N ATOM 21 CA SER A 2 28.090 6.606 7.105 1.00 0.00 C ATOM 22 C SER A 2 28.378 6.463 5.608 1.00 0.00 C ATOM 23 O SER A 2 27.611 6.898 4.773 1.00 0.00 O ATOM 24 CB SER A 2 28.385 8.037 7.553 1.00 0.00 C ATOM 25 OG SER A 2 29.750 8.337 7.298 1.00 0.00 O ATOM 0 H SER A 2 29.682 6.115 8.432 1.00 0.00 H new ATOM 0 HA SER A 2 27.041 6.374 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.741 8.737 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.168 8.150 8.615 1.00 0.00 H new ATOM 0 HG SER A 2 29.942 9.255 7.583 1.00 0.00 H new ATOM 31 N ASN A 3 29.484 5.860 5.266 1.00 0.00 N ATOM 32 CA ASN A 3 29.830 5.685 3.827 1.00 0.00 C ATOM 33 C ASN A 3 28.780 4.802 3.152 1.00 0.00 C ATOM 34 O ASN A 3 28.365 5.053 2.040 1.00 0.00 O ATOM 35 CB ASN A 3 31.202 5.020 3.716 1.00 0.00 C ATOM 36 CG ASN A 3 32.289 6.008 4.147 1.00 0.00 C ATOM 37 OD1 ASN A 3 32.063 7.202 4.174 1.00 0.00 O ATOM 38 ND2 ASN A 3 33.464 5.556 4.489 1.00 0.00 N ATOM 0 H ASN A 3 30.165 5.480 5.924 1.00 0.00 H new ATOM 0 HA ASN A 3 29.853 6.658 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 3 31.237 4.129 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 3 31.378 4.695 2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 3 34.195 6.205 4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 3 33.651 4.554 4.466 1.00 0.00 H new ATOM 45 N GLN A 4 28.344 3.767 3.820 1.00 0.00 N ATOM 46 CA GLN A 4 27.314 2.868 3.223 1.00 0.00 C ATOM 47 C GLN A 4 26.553 2.165 4.349 1.00 0.00 C ATOM 48 O GLN A 4 27.032 1.226 4.951 1.00 0.00 O ATOM 49 CB GLN A 4 27.995 1.834 2.315 1.00 0.00 C ATOM 50 CG GLN A 4 26.977 1.273 1.317 1.00 0.00 C ATOM 51 CD GLN A 4 25.862 0.552 2.076 1.00 0.00 C ATOM 52 OE1 GLN A 4 26.125 -0.322 2.877 1.00 0.00 O ATOM 53 NE2 GLN A 4 24.618 0.888 1.861 1.00 0.00 N ATOM 0 H GLN A 4 28.657 3.505 4.755 1.00 0.00 H new ATOM 0 HA GLN A 4 26.614 3.451 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 4 28.826 2.296 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 4 28.412 1.026 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 4 26.559 2.080 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 4 27.468 0.584 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 4 24.397 1.622 1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 4 23.868 0.416 2.366 1.00 0.00 H new ATOM 62 N THR A 5 25.370 2.631 4.643 1.00 0.00 N ATOM 63 CA THR A 5 24.564 2.016 5.733 1.00 0.00 C ATOM 64 C THR A 5 24.148 0.594 5.353 1.00 0.00 C ATOM 65 O THR A 5 23.684 0.341 4.259 1.00 0.00 O ATOM 66 CB THR A 5 23.315 2.865 5.968 1.00 0.00 C ATOM 67 OG1 THR A 5 23.701 4.213 6.197 1.00 0.00 O ATOM 68 CG2 THR A 5 22.552 2.335 7.182 1.00 0.00 C ATOM 0 H THR A 5 24.925 3.418 4.170 1.00 0.00 H new ATOM 0 HA THR A 5 25.165 1.973 6.641 1.00 0.00 H new ATOM 0 HB THR A 5 22.670 2.814 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 5 22.902 4.761 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 5 21.662 2.943 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 5 22.257 1.301 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 5 23.192 2.383 8.063 1.00 0.00 H new ATOM 76 N CYS A 6 24.304 -0.336 6.262 1.00 0.00 N ATOM 77 CA CYS A 6 23.915 -1.752 5.985 1.00 0.00 C ATOM 78 C CYS A 6 23.210 -2.319 7.217 1.00 0.00 C ATOM 79 O CYS A 6 23.781 -2.396 8.287 1.00 0.00 O ATOM 80 CB CYS A 6 25.167 -2.574 5.682 1.00 0.00 C ATOM 81 SG CYS A 6 26.251 -2.573 7.131 1.00 0.00 S ATOM 0 H CYS A 6 24.688 -0.172 7.193 1.00 0.00 H new ATOM 0 HA CYS A 6 23.245 -1.794 5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 6 24.891 -3.596 5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 6 25.691 -2.156 4.822 1.00 0.00 H new ATOM 0 HG CYS A 6 25.530 -2.532 8.212 1.00 0.00 H new ATOM 87 N VAL A 7 21.967 -2.707 7.075 1.00 0.00 N ATOM 88 CA VAL A 7 21.194 -3.263 8.233 1.00 0.00 C ATOM 89 C VAL A 7 20.955 -4.759 8.026 1.00 0.00 C ATOM 90 O VAL A 7 20.535 -5.194 6.973 1.00 0.00 O ATOM 91 CB VAL A 7 19.852 -2.535 8.348 1.00 0.00 C ATOM 92 CG1 VAL A 7 20.100 -1.095 8.796 1.00 0.00 C ATOM 93 CG2 VAL A 7 19.143 -2.530 6.990 1.00 0.00 C ATOM 0 H VAL A 7 21.448 -2.663 6.198 1.00 0.00 H new ATOM 0 HA VAL A 7 21.764 -3.117 9.151 1.00 0.00 H new ATOM 0 HB VAL A 7 19.224 -3.047 9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.148 -0.571 8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.600 -1.096 9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.729 -0.589 8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.189 -2.010 7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.767 -2.020 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.968 -3.556 6.667 1.00 0.00 H new ATOM 103 N GLU A 8 21.230 -5.546 9.031 1.00 0.00 N ATOM 104 CA GLU A 8 21.036 -7.017 8.912 1.00 0.00 C ATOM 105 C GLU A 8 19.558 -7.324 8.658 1.00 0.00 C ATOM 106 O GLU A 8 18.678 -6.757 9.272 1.00 0.00 O ATOM 107 CB GLU A 8 21.494 -7.695 10.205 1.00 0.00 C ATOM 108 CG GLU A 8 23.021 -7.564 10.362 1.00 0.00 C ATOM 109 CD GLU A 8 23.379 -6.197 10.961 1.00 0.00 C ATOM 110 OE1 GLU A 8 22.479 -5.400 11.156 1.00 0.00 O ATOM 111 OE2 GLU A 8 24.547 -5.990 11.246 1.00 0.00 O ATOM 0 H GLU A 8 21.583 -5.230 9.934 1.00 0.00 H new ATOM 0 HA GLU A 8 21.625 -7.396 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 8 20.993 -7.241 11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 8 21.211 -8.748 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 8 23.397 -8.360 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 8 23.505 -7.682 9.392 1.00 0.00 H new ATOM 118 N ASN A 9 19.285 -8.215 7.743 1.00 0.00 N ATOM 119 CA ASN A 9 17.872 -8.563 7.426 1.00 0.00 C ATOM 120 C ASN A 9 17.348 -9.594 8.426 1.00 0.00 C ATOM 121 O ASN A 9 18.086 -10.400 8.953 1.00 0.00 O ATOM 122 CB ASN A 9 17.805 -9.145 6.015 1.00 0.00 C ATOM 123 CG ASN A 9 18.143 -8.053 4.997 1.00 0.00 C ATOM 124 OD1 ASN A 9 17.818 -6.814 5.251 1.00 0.00 O flip ATOM 125 ND2 ASN A 9 18.704 -8.333 3.956 1.00 0.00 N flip ATOM 0 H ASN A 9 19.985 -8.719 7.199 1.00 0.00 H new ATOM 0 HA ASN A 9 17.257 -7.665 7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.504 -9.976 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 9 16.809 -9.543 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.958 -9.301 3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.921 -7.600 3.281 1.00 0.00 H new ATOM 132 N GLU A 10 16.065 -9.578 8.682 1.00 0.00 N ATOM 133 CA GLU A 10 15.471 -10.554 9.639 1.00 0.00 C ATOM 134 C GLU A 10 14.070 -10.932 9.151 1.00 0.00 C ATOM 135 O GLU A 10 13.106 -10.232 9.393 1.00 0.00 O ATOM 136 CB GLU A 10 15.386 -9.921 11.038 1.00 0.00 C ATOM 137 CG GLU A 10 15.023 -8.436 10.924 1.00 0.00 C ATOM 138 CD GLU A 10 16.249 -7.630 10.479 1.00 0.00 C ATOM 139 OE1 GLU A 10 17.347 -7.999 10.861 1.00 0.00 O ATOM 140 OE2 GLU A 10 16.064 -6.656 9.769 1.00 0.00 O ATOM 0 H GLU A 10 15.401 -8.926 8.265 1.00 0.00 H new ATOM 0 HA GLU A 10 16.094 -11.447 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.638 -10.441 11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.340 -10.032 11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.212 -8.305 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.663 -8.066 11.884 1.00 0.00 H new ATOM 147 N VAL A 11 13.955 -12.036 8.452 1.00 0.00 N ATOM 148 CA VAL A 11 12.621 -12.473 7.931 1.00 0.00 C ATOM 149 C VAL A 11 12.047 -13.564 8.834 1.00 0.00 C ATOM 150 O VAL A 11 12.708 -14.532 9.159 1.00 0.00 O ATOM 151 CB VAL A 11 12.782 -13.019 6.507 1.00 0.00 C ATOM 152 CG1 VAL A 11 13.308 -11.910 5.595 1.00 0.00 C ATOM 153 CG2 VAL A 11 13.770 -14.191 6.508 1.00 0.00 C ATOM 0 H VAL A 11 14.731 -12.656 8.219 1.00 0.00 H new ATOM 0 HA VAL A 11 11.942 -11.621 7.920 1.00 0.00 H new ATOM 0 HB VAL A 11 11.815 -13.366 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.423 -12.296 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.603 -11.079 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.274 -11.563 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.880 -14.575 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.738 -13.850 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.395 -14.983 7.157 1.00 0.00 H new ATOM 163 N CYS A 12 10.815 -13.412 9.243 1.00 0.00 N ATOM 164 CA CYS A 12 10.174 -14.430 10.126 1.00 0.00 C ATOM 165 C CYS A 12 8.677 -14.467 9.812 1.00 0.00 C ATOM 166 O CYS A 12 7.852 -14.702 10.674 1.00 0.00 O ATOM 167 CB CYS A 12 10.390 -14.040 11.592 1.00 0.00 C ATOM 168 SG CYS A 12 9.356 -12.611 12.003 1.00 0.00 S ATOM 0 H CYS A 12 10.221 -12.619 9.001 1.00 0.00 H new ATOM 0 HA CYS A 12 10.613 -15.413 9.954 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.142 -14.879 12.242 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.440 -13.803 11.764 1.00 0.00 H new ATOM 0 HG CYS A 12 8.121 -12.862 11.683 1.00 0.00 H new ATOM 174 N GLU A 13 8.325 -14.219 8.577 1.00 0.00 N ATOM 175 CA GLU A 13 6.887 -14.217 8.186 1.00 0.00 C ATOM 176 C GLU A 13 6.317 -15.636 8.251 1.00 0.00 C ATOM 177 O GLU A 13 7.008 -16.609 8.025 1.00 0.00 O ATOM 178 CB GLU A 13 6.751 -13.674 6.760 1.00 0.00 C ATOM 179 CG GLU A 13 7.198 -12.208 6.720 1.00 0.00 C ATOM 180 CD GLU A 13 6.249 -11.354 7.564 1.00 0.00 C ATOM 181 OE1 GLU A 13 5.148 -11.810 7.827 1.00 0.00 O ATOM 182 OE2 GLU A 13 6.640 -10.260 7.935 1.00 0.00 O ATOM 0 H GLU A 13 8.977 -14.017 7.819 1.00 0.00 H new ATOM 0 HA GLU A 13 6.331 -13.583 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.357 -14.268 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.717 -13.758 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.216 -12.118 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.207 -11.849 5.691 1.00 0.00 H new ATOM 189 N ALA A 14 5.056 -15.752 8.570 1.00 0.00 N ATOM 190 CA ALA A 14 4.416 -17.095 8.668 1.00 0.00 C ATOM 191 C ALA A 14 4.381 -17.777 7.296 1.00 0.00 C ATOM 192 O ALA A 14 4.265 -17.135 6.271 1.00 0.00 O ATOM 193 CB ALA A 14 2.990 -16.926 9.192 1.00 0.00 C ATOM 0 H ALA A 14 4.437 -14.966 8.769 1.00 0.00 H new ATOM 0 HA ALA A 14 4.996 -17.719 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.512 -17.903 9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.017 -16.458 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.423 -16.297 8.506 1.00 0.00 H new ATOM 199 N CYS A 15 4.480 -19.082 7.276 1.00 0.00 N ATOM 200 CA CYS A 15 4.450 -19.828 5.985 1.00 0.00 C ATOM 201 C CYS A 15 3.120 -19.573 5.269 1.00 0.00 C ATOM 202 O CYS A 15 3.071 -19.430 4.063 1.00 0.00 O ATOM 203 CB CYS A 15 4.598 -21.326 6.275 1.00 0.00 C ATOM 204 SG CYS A 15 5.112 -22.194 4.773 1.00 0.00 S ATOM 0 H CYS A 15 4.581 -19.666 8.106 1.00 0.00 H new ATOM 0 HA CYS A 15 5.267 -19.491 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.332 -21.482 7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.652 -21.731 6.634 1.00 0.00 H new ATOM 0 HG CYS A 15 5.238 -23.463 5.026 1.00 0.00 H new ATOM 210 N GLY A 16 2.040 -19.516 6.004 1.00 0.00 N ATOM 211 CA GLY A 16 0.715 -19.272 5.367 1.00 0.00 C ATOM 212 C GLY A 16 0.238 -20.542 4.658 1.00 0.00 C ATOM 213 O GLY A 16 -0.595 -20.495 3.775 1.00 0.00 O ATOM 0 H GLY A 16 2.020 -19.628 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.012 -18.971 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.790 -18.452 4.653 1.00 0.00 H new ATOM 217 N CYS A 17 0.761 -21.679 5.037 1.00 0.00 N ATOM 218 CA CYS A 17 0.344 -22.954 4.385 1.00 0.00 C ATOM 219 C CYS A 17 0.481 -22.825 2.867 1.00 0.00 C ATOM 220 O CYS A 17 -0.440 -23.095 2.124 1.00 0.00 O ATOM 221 CB CYS A 17 -1.108 -23.268 4.751 1.00 0.00 C ATOM 222 SG CYS A 17 -1.295 -23.218 6.550 1.00 0.00 S ATOM 0 H CYS A 17 1.461 -21.779 5.772 1.00 0.00 H new ATOM 0 HA CYS A 17 0.984 -23.764 4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.777 -22.545 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.386 -24.251 4.372 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.528 -23.482 6.866 1.00 0.00 H new ATOM 228 N ALA A 18 1.639 -22.424 2.409 1.00 0.00 N ATOM 229 CA ALA A 18 1.876 -22.279 0.942 1.00 0.00 C ATOM 230 C ALA A 18 0.658 -21.659 0.254 1.00 0.00 C ATOM 231 O ALA A 18 0.447 -20.463 0.296 1.00 0.00 O ATOM 232 CB ALA A 18 2.149 -23.657 0.333 1.00 0.00 C ATOM 0 H ALA A 18 2.439 -22.188 2.996 1.00 0.00 H new ATOM 0 HA ALA A 18 2.735 -21.624 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.322 -23.554 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.030 -24.094 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.289 -24.306 0.500 1.00 0.00 H new ATOM 238 N GLY A 19 -0.131 -22.469 -0.398 1.00 0.00 N ATOM 239 CA GLY A 19 -1.325 -21.945 -1.116 1.00 0.00 C ATOM 240 C GLY A 19 -2.389 -21.477 -0.122 1.00 0.00 C ATOM 241 O GLY A 19 -2.535 -22.020 0.955 1.00 0.00 O ATOM 0 H GLY A 19 0.002 -23.478 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.033 -21.117 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.738 -22.721 -1.760 1.00 0.00 H new ATOM 245 N GLU A 20 -3.144 -20.481 -0.492 1.00 0.00 N ATOM 246 CA GLU A 20 -4.218 -19.978 0.406 1.00 0.00 C ATOM 247 C GLU A 20 -5.099 -18.999 -0.375 1.00 0.00 C ATOM 248 O GLU A 20 -4.758 -17.845 -0.551 1.00 0.00 O ATOM 249 CB GLU A 20 -3.599 -19.273 1.619 1.00 0.00 C ATOM 250 CG GLU A 20 -4.703 -18.872 2.605 1.00 0.00 C ATOM 251 CD GLU A 20 -5.337 -20.130 3.202 1.00 0.00 C ATOM 252 OE1 GLU A 20 -4.709 -21.174 3.138 1.00 0.00 O ATOM 253 OE2 GLU A 20 -6.443 -20.029 3.708 1.00 0.00 O ATOM 0 H GLU A 20 -3.062 -19.992 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.822 -20.813 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.883 -19.933 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.048 -18.389 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.288 -18.250 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.461 -18.277 2.096 1.00 0.00 H new ATOM 260 N ILE A 21 -6.227 -19.457 -0.848 1.00 0.00 N ATOM 261 CA ILE A 21 -7.144 -18.569 -1.622 1.00 0.00 C ATOM 262 C ILE A 21 -6.359 -17.819 -2.704 1.00 0.00 C ATOM 263 O ILE A 21 -6.247 -18.267 -3.827 1.00 0.00 O ATOM 264 CB ILE A 21 -7.797 -17.558 -0.680 1.00 0.00 C ATOM 265 CG1 ILE A 21 -8.628 -18.299 0.369 1.00 0.00 C ATOM 266 CG2 ILE A 21 -8.709 -16.631 -1.487 1.00 0.00 C ATOM 267 CD1 ILE A 21 -9.069 -17.317 1.456 1.00 0.00 C ATOM 0 H ILE A 21 -6.555 -20.416 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.913 -19.181 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.024 -16.972 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.500 -18.756 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.042 -19.106 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.177 -15.908 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.120 -16.103 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.481 -17.220 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.661 -17.844 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.190 -16.881 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.670 -16.525 1.009 1.00 0.00 H new ATOM 279 N GLY A 22 -5.817 -16.677 -2.369 1.00 0.00 N ATOM 280 CA GLY A 22 -5.038 -15.887 -3.367 1.00 0.00 C ATOM 281 C GLY A 22 -5.875 -15.667 -4.629 1.00 0.00 C ATOM 282 O GLY A 22 -5.905 -16.493 -5.517 1.00 0.00 O ATOM 0 H GLY A 22 -5.881 -16.256 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.751 -14.926 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.116 -16.412 -3.619 1.00 0.00 H new ATOM 286 N PHE A 23 -6.558 -14.557 -4.712 1.00 0.00 N ATOM 287 CA PHE A 23 -7.396 -14.285 -5.912 1.00 0.00 C ATOM 288 C PHE A 23 -6.515 -13.872 -7.094 1.00 0.00 C ATOM 289 O PHE A 23 -5.509 -13.209 -6.934 1.00 0.00 O ATOM 290 CB PHE A 23 -8.376 -13.153 -5.601 1.00 0.00 C ATOM 291 CG PHE A 23 -9.426 -13.651 -4.640 1.00 0.00 C ATOM 292 CD1 PHE A 23 -10.534 -14.360 -5.117 1.00 0.00 C ATOM 293 CD2 PHE A 23 -9.290 -13.403 -3.268 1.00 0.00 C ATOM 294 CE1 PHE A 23 -11.506 -14.824 -4.222 1.00 0.00 C ATOM 295 CE2 PHE A 23 -10.261 -13.867 -2.374 1.00 0.00 C ATOM 296 CZ PHE A 23 -11.370 -14.576 -2.851 1.00 0.00 C ATOM 0 H PHE A 23 -6.571 -13.827 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.941 -15.192 -6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.844 -12.305 -5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.845 -12.801 -6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.640 -14.549 -6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.436 -12.854 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.360 -15.373 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.155 -13.678 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.121 -14.932 -2.161 1.00 0.00 H new ATOM 306 N ILE A 24 -6.901 -14.269 -8.282 1.00 0.00 N ATOM 307 CA ILE A 24 -6.119 -13.920 -9.501 1.00 0.00 C ATOM 308 C ILE A 24 -4.657 -14.232 -9.286 1.00 0.00 C ATOM 309 O ILE A 24 -4.188 -15.295 -9.631 1.00 0.00 O ATOM 310 CB ILE A 24 -6.254 -12.432 -9.821 1.00 0.00 C ATOM 311 CG1 ILE A 24 -7.710 -12.132 -10.137 1.00 0.00 C ATOM 312 CG2 ILE A 24 -5.387 -12.079 -11.037 1.00 0.00 C ATOM 313 CD1 ILE A 24 -7.911 -10.621 -10.230 1.00 0.00 C ATOM 0 H ILE A 24 -7.736 -14.827 -8.457 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.511 -14.509 -10.331 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.925 -11.841 -8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.994 -12.606 -11.077 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.354 -12.548 -9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.488 -11.017 -11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.344 -12.306 -10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.713 -12.663 -11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.955 -10.406 -10.457 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.644 -10.159 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.278 -10.218 -11.020 1.00 0.00 H new ATOM 325 N ILE A 25 -3.915 -13.304 -8.742 1.00 0.00 N ATOM 326 CA ILE A 25 -2.466 -13.570 -8.548 1.00 0.00 C ATOM 327 C ILE A 25 -2.261 -14.479 -7.331 1.00 0.00 C ATOM 328 O ILE A 25 -2.917 -14.352 -6.313 1.00 0.00 O ATOM 329 CB ILE A 25 -1.652 -12.277 -8.312 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.327 -11.393 -7.235 1.00 0.00 C ATOM 331 CG2 ILE A 25 -1.431 -11.467 -9.606 1.00 0.00 C ATOM 332 CD1 ILE A 25 -1.246 -10.753 -6.362 1.00 0.00 C ATOM 0 H ILE A 25 -4.244 -12.391 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.113 -14.044 -9.464 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.670 -12.588 -7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.934 -10.621 -7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.998 -11.994 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.854 -10.570 -9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.887 -12.076 -10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.396 -11.181 -10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.715 -10.129 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.659 -11.534 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.593 -10.139 -6.983 1.00 0.00 H new ATOM 344 N ARG A 26 -1.332 -15.393 -7.442 1.00 0.00 N ATOM 345 CA ARG A 26 -1.018 -16.329 -6.318 1.00 0.00 C ATOM 346 C ARG A 26 0.106 -15.762 -5.424 1.00 0.00 C ATOM 347 O ARG A 26 0.896 -14.935 -5.833 1.00 0.00 O ATOM 348 CB ARG A 26 -0.575 -17.668 -6.904 1.00 0.00 C ATOM 349 CG ARG A 26 0.651 -17.472 -7.806 1.00 0.00 C ATOM 350 CD ARG A 26 1.077 -18.825 -8.389 1.00 0.00 C ATOM 351 NE ARG A 26 0.014 -19.324 -9.311 1.00 0.00 N ATOM 352 CZ ARG A 26 0.115 -20.507 -9.862 1.00 0.00 C ATOM 353 NH1 ARG A 26 1.146 -21.270 -9.606 1.00 0.00 N ATOM 354 NH2 ARG A 26 -0.819 -20.929 -10.671 1.00 0.00 N ATOM 0 H ARG A 26 -0.767 -15.533 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.910 -16.457 -5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.336 -18.364 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.390 -18.110 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.417 -16.775 -8.610 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.470 -17.036 -7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.020 -18.722 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.244 -19.543 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.797 -18.739 -9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.877 -20.944 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.219 -22.191 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.625 -20.337 -10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.743 -21.850 -11.102 1.00 0.00 H new ATOM 368 N GLU A 27 0.161 -16.216 -4.194 1.00 0.00 N ATOM 369 CA GLU A 27 1.200 -15.734 -3.233 1.00 0.00 C ATOM 370 C GLU A 27 2.602 -16.117 -3.710 1.00 0.00 C ATOM 371 O GLU A 27 2.791 -17.085 -4.419 1.00 0.00 O ATOM 372 CB GLU A 27 0.948 -16.358 -1.858 1.00 0.00 C ATOM 373 CG GLU A 27 -0.337 -15.773 -1.272 1.00 0.00 C ATOM 374 CD GLU A 27 -0.626 -16.410 0.089 1.00 0.00 C ATOM 375 OE1 GLU A 27 0.174 -17.222 0.524 1.00 0.00 O ATOM 376 OE2 GLU A 27 -1.643 -16.074 0.673 1.00 0.00 O ATOM 0 H GLU A 27 -0.481 -16.911 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 27 1.137 -14.648 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.862 -17.441 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.789 -16.158 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.239 -14.693 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.171 -15.951 -1.951 1.00 0.00 H new ATOM 383 N GLY A 28 3.590 -15.356 -3.304 1.00 0.00 N ATOM 384 CA GLY A 28 4.996 -15.653 -3.704 1.00 0.00 C ATOM 385 C GLY A 28 5.358 -14.888 -4.978 1.00 0.00 C ATOM 386 O GLY A 28 4.536 -14.221 -5.570 1.00 0.00 O ATOM 0 H GLY A 28 3.478 -14.536 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.677 -15.375 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.116 -16.724 -3.868 1.00 0.00 H new ATOM 390 N ASP A 29 6.596 -14.990 -5.392 1.00 0.00 N ATOM 391 CA ASP A 29 7.069 -14.290 -6.625 1.00 0.00 C ATOM 392 C ASP A 29 7.181 -12.784 -6.367 1.00 0.00 C ATOM 393 O ASP A 29 6.482 -11.989 -6.960 1.00 0.00 O ATOM 394 CB ASP A 29 6.108 -14.557 -7.793 1.00 0.00 C ATOM 395 CG ASP A 29 6.834 -14.313 -9.120 1.00 0.00 C ATOM 396 OD1 ASP A 29 7.836 -13.616 -9.104 1.00 0.00 O ATOM 397 OD2 ASP A 29 6.378 -14.829 -10.127 1.00 0.00 O ATOM 0 H ASP A 29 7.312 -15.540 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 29 8.054 -14.676 -6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.743 -15.583 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.238 -13.905 -7.718 1.00 0.00 H new ATOM 402 N ASP A 30 8.068 -12.396 -5.486 1.00 0.00 N ATOM 403 CA ASP A 30 8.256 -10.947 -5.179 1.00 0.00 C ATOM 404 C ASP A 30 6.920 -10.329 -4.778 1.00 0.00 C ATOM 405 O ASP A 30 6.343 -9.545 -5.509 1.00 0.00 O ATOM 406 CB ASP A 30 8.819 -10.226 -6.405 1.00 0.00 C ATOM 407 CG ASP A 30 10.258 -10.687 -6.642 1.00 0.00 C ATOM 408 OD1 ASP A 30 10.819 -11.292 -5.743 1.00 0.00 O ATOM 409 OD2 ASP A 30 10.773 -10.430 -7.716 1.00 0.00 O ATOM 0 H ASP A 30 8.675 -13.027 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 30 8.959 -10.843 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.207 -10.440 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.790 -9.147 -6.252 1.00 0.00 H new ATOM 414 N VAL A 31 6.428 -10.681 -3.616 1.00 0.00 N ATOM 415 CA VAL A 31 5.124 -10.138 -3.128 1.00 0.00 C ATOM 416 C VAL A 31 5.352 -9.396 -1.815 1.00 0.00 C ATOM 417 O VAL A 31 6.053 -9.864 -0.940 1.00 0.00 O ATOM 418 CB VAL A 31 4.148 -11.297 -2.906 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.913 -10.801 -2.143 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.717 -11.848 -4.263 1.00 0.00 C ATOM 0 H VAL A 31 6.883 -11.332 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 31 4.707 -9.451 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 31 4.637 -12.078 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.223 -11.631 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.219 -10.399 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.418 -10.020 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.021 -12.674 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.229 -11.060 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.593 -12.203 -4.806 1.00 0.00 H new ATOM 430 N ALA A 32 4.760 -8.237 -1.679 1.00 0.00 N ATOM 431 CA ALA A 32 4.926 -7.434 -0.433 1.00 0.00 C ATOM 432 C ALA A 32 3.566 -7.250 0.232 1.00 0.00 C ATOM 433 O ALA A 32 2.547 -7.178 -0.425 1.00 0.00 O ATOM 434 CB ALA A 32 5.503 -6.065 -0.791 1.00 0.00 C ATOM 0 H ALA A 32 4.163 -7.809 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 32 5.601 -7.950 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.626 -5.474 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.471 -6.193 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.823 -5.550 -1.470 1.00 0.00 H new ATOM 440 N GLU A 33 3.546 -7.177 1.538 1.00 0.00 N ATOM 441 CA GLU A 33 2.260 -7.003 2.275 1.00 0.00 C ATOM 442 C GLU A 33 2.155 -5.570 2.785 1.00 0.00 C ATOM 443 O GLU A 33 3.090 -5.028 3.340 1.00 0.00 O ATOM 444 CB GLU A 33 2.226 -7.970 3.457 1.00 0.00 C ATOM 445 CG GLU A 33 2.090 -9.398 2.927 1.00 0.00 C ATOM 446 CD GLU A 33 2.122 -10.384 4.094 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.254 -9.935 5.221 1.00 0.00 O ATOM 448 OE2 GLU A 33 2.012 -11.572 3.841 1.00 0.00 O ATOM 0 H GLU A 33 4.375 -7.231 2.130 1.00 0.00 H new ATOM 0 HA GLU A 33 1.423 -7.210 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.136 -7.873 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.390 -7.731 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.157 -9.504 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.900 -9.617 2.231 1.00 0.00 H new ATOM 455 N VAL A 34 1.016 -4.955 2.597 1.00 0.00 N ATOM 456 CA VAL A 34 0.814 -3.550 3.062 1.00 0.00 C ATOM 457 C VAL A 34 -0.386 -3.512 4.002 1.00 0.00 C ATOM 458 O VAL A 34 -1.427 -4.072 3.721 1.00 0.00 O ATOM 459 CB VAL A 34 0.555 -2.647 1.852 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.063 -1.273 2.319 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.857 -2.480 1.069 1.00 0.00 C ATOM 0 H VAL A 34 0.208 -5.372 2.135 1.00 0.00 H new ATOM 0 HA VAL A 34 1.702 -3.197 3.586 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.207 -3.100 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.119 -0.638 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.862 -1.390 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.819 -0.812 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.682 -1.838 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.612 -2.027 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.206 -3.456 0.731 1.00 0.00 H new ATOM 471 N SER A 35 -0.241 -2.853 5.120 1.00 0.00 N ATOM 472 CA SER A 35 -1.357 -2.760 6.104 1.00 0.00 C ATOM 473 C SER A 35 -1.572 -1.296 6.462 1.00 0.00 C ATOM 474 O SER A 35 -0.668 -0.624 6.917 1.00 0.00 O ATOM 475 CB SER A 35 -0.985 -3.537 7.365 1.00 0.00 C ATOM 476 OG SER A 35 0.210 -2.996 7.913 1.00 0.00 O ATOM 0 H SER A 35 0.614 -2.370 5.396 1.00 0.00 H new ATOM 0 HA SER A 35 -2.268 -3.178 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.793 -3.478 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.846 -4.592 7.129 1.00 0.00 H new ATOM 0 HG SER A 35 0.176 -2.018 7.869 1.00 0.00 H new ATOM 482 N LEU A 36 -2.766 -0.798 6.261 1.00 0.00 N ATOM 483 CA LEU A 36 -3.063 0.631 6.590 1.00 0.00 C ATOM 484 C LEU A 36 -4.136 0.676 7.670 1.00 0.00 C ATOM 485 O LEU A 36 -5.143 0.000 7.589 1.00 0.00 O ATOM 486 CB LEU A 36 -3.568 1.361 5.341 1.00 0.00 C ATOM 487 CG LEU A 36 -3.743 2.859 5.643 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.388 3.505 5.991 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.350 3.550 4.416 1.00 0.00 C ATOM 0 H LEU A 36 -3.553 -1.323 5.881 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.155 1.119 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.863 1.227 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.517 0.933 5.018 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.407 2.975 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.533 4.565 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.966 3.015 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.705 3.393 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.477 4.613 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.686 3.423 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.320 3.106 4.191 1.00 0.00 H new ATOM 501 N PHE A 37 -3.921 1.469 8.688 1.00 0.00 N ATOM 502 CA PHE A 37 -4.910 1.576 9.801 1.00 0.00 C ATOM 503 C PHE A 37 -5.526 2.974 9.796 1.00 0.00 C ATOM 504 O PHE A 37 -4.830 3.967 9.705 1.00 0.00 O ATOM 505 CB PHE A 37 -4.193 1.347 11.130 1.00 0.00 C ATOM 506 CG PHE A 37 -5.176 1.525 12.260 1.00 0.00 C ATOM 507 CD1 PHE A 37 -6.114 0.524 12.531 1.00 0.00 C ATOM 508 CD2 PHE A 37 -5.151 2.692 13.034 1.00 0.00 C ATOM 509 CE1 PHE A 37 -7.030 0.687 13.575 1.00 0.00 C ATOM 510 CE2 PHE A 37 -6.067 2.856 14.079 1.00 0.00 C ATOM 511 CZ PHE A 37 -7.005 1.854 14.351 1.00 0.00 C ATOM 0 H PHE A 37 -3.092 2.054 8.796 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.694 0.830 9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.765 0.345 11.158 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.366 2.049 11.237 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.131 -0.376 11.934 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.426 3.464 12.825 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.756 -0.085 13.783 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.050 3.756 14.676 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.710 1.980 15.159 1.00 0.00 H new ATOM 521 N GLY A 38 -6.824 3.063 9.887 1.00 0.00 N ATOM 522 CA GLY A 38 -7.473 4.401 9.879 1.00 0.00 C ATOM 523 C GLY A 38 -8.944 4.276 10.280 1.00 0.00 C ATOM 524 O GLY A 38 -9.366 3.290 10.853 1.00 0.00 O ATOM 0 H GLY A 38 -7.460 2.270 9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.956 5.068 10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.395 4.845 8.887 1.00 0.00 H new ATOM 528 N SER A 39 -9.719 5.283 9.990 1.00 0.00 N ATOM 529 CA SER A 39 -11.164 5.266 10.353 1.00 0.00 C ATOM 530 C SER A 39 -11.892 4.128 9.631 1.00 0.00 C ATOM 531 O SER A 39 -11.489 2.983 9.682 1.00 0.00 O ATOM 532 CB SER A 39 -11.786 6.600 9.946 1.00 0.00 C ATOM 533 OG SER A 39 -13.191 6.550 10.158 1.00 0.00 O ATOM 0 H SER A 39 -9.409 6.128 9.511 1.00 0.00 H new ATOM 0 HA SER A 39 -11.260 5.111 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.348 7.411 10.528 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.572 6.809 8.898 1.00 0.00 H new ATOM 0 HG SER A 39 -13.644 7.094 9.480 1.00 0.00 H new ATOM 539 N ASP A 40 -12.976 4.440 8.969 1.00 0.00 N ATOM 540 CA ASP A 40 -13.756 3.394 8.253 1.00 0.00 C ATOM 541 C ASP A 40 -13.013 2.955 6.991 1.00 0.00 C ATOM 542 O ASP A 40 -11.985 3.496 6.640 1.00 0.00 O ATOM 543 CB ASP A 40 -15.115 3.968 7.850 1.00 0.00 C ATOM 544 CG ASP A 40 -15.984 4.152 9.093 1.00 0.00 C ATOM 545 OD1 ASP A 40 -15.640 3.595 10.122 1.00 0.00 O ATOM 546 OD2 ASP A 40 -16.981 4.849 8.995 1.00 0.00 O ATOM 0 H ASP A 40 -13.355 5.384 8.895 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.888 2.536 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.981 4.924 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.609 3.299 7.145 1.00 0.00 H new ATOM 551 N LYS A 41 -13.542 1.978 6.307 1.00 0.00 N ATOM 552 CA LYS A 41 -12.893 1.494 5.061 1.00 0.00 C ATOM 553 C LYS A 41 -12.885 2.623 4.032 1.00 0.00 C ATOM 554 O LYS A 41 -11.924 2.821 3.317 1.00 0.00 O ATOM 555 CB LYS A 41 -13.686 0.309 4.511 1.00 0.00 C ATOM 556 CG LYS A 41 -12.953 -0.284 3.309 1.00 0.00 C ATOM 557 CD LYS A 41 -13.707 -1.515 2.805 1.00 0.00 C ATOM 558 CE LYS A 41 -12.959 -2.117 1.615 1.00 0.00 C ATOM 559 NZ LYS A 41 -13.688 -3.321 1.124 1.00 0.00 N ATOM 0 H LYS A 41 -14.402 1.492 6.562 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.870 1.182 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.810 -0.449 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.685 0.632 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.876 0.458 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.936 -0.558 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.797 -2.252 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.720 -1.239 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.873 -1.380 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.945 -2.388 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.113 -3.807 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.867 -3.967 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.594 -3.031 0.703 1.00 0.00 H new ATOM 573 N ALA A 42 -13.953 3.369 3.956 1.00 0.00 N ATOM 574 CA ALA A 42 -14.021 4.488 2.977 1.00 0.00 C ATOM 575 C ALA A 42 -12.826 5.416 3.183 1.00 0.00 C ATOM 576 O ALA A 42 -12.164 5.813 2.245 1.00 0.00 O ATOM 577 CB ALA A 42 -15.314 5.271 3.206 1.00 0.00 C ATOM 0 H ALA A 42 -14.785 3.250 4.534 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.002 4.092 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.373 6.093 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.169 4.609 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.323 5.669 4.221 1.00 0.00 H new ATOM 583 N HIS A 43 -12.540 5.760 4.407 1.00 0.00 N ATOM 584 CA HIS A 43 -11.385 6.655 4.682 1.00 0.00 C ATOM 585 C HIS A 43 -10.099 5.981 4.202 1.00 0.00 C ATOM 586 O HIS A 43 -9.233 6.606 3.625 1.00 0.00 O ATOM 587 CB HIS A 43 -11.298 6.914 6.188 1.00 0.00 C ATOM 588 CG HIS A 43 -10.190 7.891 6.467 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.199 7.635 7.401 1.00 0.00 N ATOM 590 CD2 HIS A 43 -9.902 9.125 5.941 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.369 8.693 7.410 1.00 0.00 C ATOM 592 NE2 HIS A 43 -8.752 9.631 6.537 1.00 0.00 N ATOM 0 H HIS A 43 -13.059 5.458 5.231 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.516 7.601 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.246 7.308 6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.115 5.979 6.718 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.481 9.627 5.180 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.499 8.775 8.045 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.298 10.525 6.349 1.00 0.00 H new ATOM 600 N LEU A 44 -9.972 4.704 4.443 1.00 0.00 N ATOM 601 CA LEU A 44 -8.750 3.970 4.011 1.00 0.00 C ATOM 602 C LEU A 44 -8.662 3.971 2.482 1.00 0.00 C ATOM 603 O LEU A 44 -7.598 4.107 1.914 1.00 0.00 O ATOM 604 CB LEU A 44 -8.822 2.526 4.518 1.00 0.00 C ATOM 605 CG LEU A 44 -8.808 2.506 6.056 1.00 0.00 C ATOM 606 CD1 LEU A 44 -8.984 1.063 6.548 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.480 3.076 6.586 1.00 0.00 C ATOM 0 H LEU A 44 -10.668 4.135 4.924 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.867 4.459 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.729 2.047 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.979 1.954 4.131 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.626 3.123 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.974 1.046 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.934 0.669 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.169 0.447 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.484 3.056 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.651 2.473 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.363 4.104 6.243 1.00 0.00 H new ATOM 619 N GLU A 45 -9.771 3.810 1.811 1.00 0.00 N ATOM 620 CA GLU A 45 -9.749 3.795 0.323 1.00 0.00 C ATOM 621 C GLU A 45 -9.184 5.118 -0.202 1.00 0.00 C ATOM 622 O GLU A 45 -8.407 5.144 -1.139 1.00 0.00 O ATOM 623 CB GLU A 45 -11.176 3.599 -0.200 1.00 0.00 C ATOM 624 CG GLU A 45 -11.643 2.173 0.109 1.00 0.00 C ATOM 625 CD GLU A 45 -13.109 2.012 -0.300 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.682 2.980 -0.772 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.634 0.924 -0.133 1.00 0.00 O ATOM 0 H GLU A 45 -10.692 3.688 2.232 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.117 2.977 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.847 4.321 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.209 3.779 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.024 1.453 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.527 1.964 1.172 1.00 0.00 H new ATOM 634 N GLY A 46 -9.558 6.220 0.393 1.00 0.00 N ATOM 635 CA GLY A 46 -9.031 7.532 -0.078 1.00 0.00 C ATOM 636 C GLY A 46 -7.514 7.561 0.112 1.00 0.00 C ATOM 637 O GLY A 46 -6.773 7.934 -0.775 1.00 0.00 O ATOM 0 H GLY A 46 -10.203 6.267 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.281 7.682 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.495 8.345 0.480 1.00 0.00 H new ATOM 641 N LYS A 47 -7.051 7.156 1.261 1.00 0.00 N ATOM 642 CA LYS A 47 -5.586 7.136 1.522 1.00 0.00 C ATOM 643 C LYS A 47 -4.928 6.082 0.634 1.00 0.00 C ATOM 644 O LYS A 47 -3.800 6.225 0.213 1.00 0.00 O ATOM 645 CB LYS A 47 -5.336 6.793 2.989 1.00 0.00 C ATOM 646 CG LYS A 47 -5.772 7.970 3.867 1.00 0.00 C ATOM 647 CD LYS A 47 -5.614 7.605 5.353 1.00 0.00 C ATOM 648 CE LYS A 47 -4.162 7.812 5.798 1.00 0.00 C ATOM 649 NZ LYS A 47 -3.767 9.228 5.559 1.00 0.00 N ATOM 0 H LYS A 47 -7.630 6.835 2.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.162 8.116 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.890 5.895 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.280 6.577 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.172 8.850 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.810 8.227 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.279 8.221 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.907 6.567 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.056 7.567 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.502 7.141 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.056 9.514 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.365 9.320 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.603 9.841 5.643 1.00 0.00 H new ATOM 663 N LEU A 48 -5.626 5.016 0.363 1.00 0.00 N ATOM 664 CA LEU A 48 -5.051 3.931 -0.478 1.00 0.00 C ATOM 665 C LEU A 48 -4.637 4.504 -1.832 1.00 0.00 C ATOM 666 O LEU A 48 -3.627 4.128 -2.392 1.00 0.00 O ATOM 667 CB LEU A 48 -6.115 2.846 -0.690 1.00 0.00 C ATOM 668 CG LEU A 48 -5.522 1.659 -1.467 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.453 0.943 -0.620 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.650 0.679 -1.821 1.00 0.00 C ATOM 0 H LEU A 48 -6.577 4.849 0.691 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.179 3.503 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.493 2.505 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.962 3.260 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.051 2.025 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.043 0.105 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.653 1.642 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.905 0.574 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.238 -0.166 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.121 0.320 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.393 1.186 -2.436 1.00 0.00 H new ATOM 682 N ALA A 49 -5.410 5.406 -2.366 1.00 0.00 N ATOM 683 CA ALA A 49 -5.065 5.997 -3.686 1.00 0.00 C ATOM 684 C ALA A 49 -3.625 6.519 -3.666 1.00 0.00 C ATOM 685 O ALA A 49 -2.889 6.368 -4.620 1.00 0.00 O ATOM 686 CB ALA A 49 -6.020 7.154 -3.977 1.00 0.00 C ATOM 0 H ALA A 49 -6.268 5.760 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.155 5.234 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.775 7.594 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.045 6.784 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.923 7.911 -3.199 1.00 0.00 H new ATOM 692 N GLU A 50 -3.216 7.132 -2.588 1.00 0.00 N ATOM 693 CA GLU A 50 -1.824 7.660 -2.512 1.00 0.00 C ATOM 694 C GLU A 50 -0.832 6.493 -2.479 1.00 0.00 C ATOM 695 O GLU A 50 0.206 6.526 -3.107 1.00 0.00 O ATOM 696 CB GLU A 50 -1.672 8.496 -1.239 1.00 0.00 C ATOM 697 CG GLU A 50 -2.517 9.768 -1.360 1.00 0.00 C ATOM 698 CD GLU A 50 -2.416 10.574 -0.064 1.00 0.00 C ATOM 699 OE1 GLU A 50 -2.451 9.966 0.993 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.307 11.785 -0.151 1.00 0.00 O ATOM 0 H GLU A 50 -3.786 7.290 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.621 8.280 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.989 7.917 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.625 8.756 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.171 10.368 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.557 9.509 -1.559 1.00 0.00 H new ATOM 707 N TYR A 51 -1.152 5.461 -1.746 1.00 0.00 N ATOM 708 CA TYR A 51 -0.246 4.282 -1.658 1.00 0.00 C ATOM 709 C TYR A 51 -0.091 3.661 -3.047 1.00 0.00 C ATOM 710 O TYR A 51 0.993 3.321 -3.474 1.00 0.00 O ATOM 711 CB TYR A 51 -0.864 3.248 -0.703 1.00 0.00 C ATOM 712 CG TYR A 51 -0.610 3.647 0.737 1.00 0.00 C ATOM 713 CD1 TYR A 51 -1.061 4.885 1.217 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.079 2.779 1.597 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.827 5.252 2.545 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.311 3.149 2.928 1.00 0.00 C ATOM 717 CZ TYR A 51 -0.140 4.385 3.400 1.00 0.00 C ATOM 718 OH TYR A 51 0.091 4.748 4.710 1.00 0.00 O ATOM 0 H TYR A 51 -2.010 5.385 -1.200 1.00 0.00 H new ATOM 0 HA TYR A 51 0.731 4.591 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.936 3.171 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.437 2.264 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.591 5.557 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.431 1.825 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.177 6.206 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.839 2.479 3.590 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.630 5.335 5.019 1.00 0.00 H new ATOM 728 N ILE A 52 -1.178 3.510 -3.750 1.00 0.00 N ATOM 729 CA ILE A 52 -1.123 2.911 -5.110 1.00 0.00 C ATOM 730 C ILE A 52 -0.310 3.814 -6.041 1.00 0.00 C ATOM 731 O ILE A 52 0.491 3.351 -6.828 1.00 0.00 O ATOM 732 CB ILE A 52 -2.549 2.759 -5.650 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.297 1.702 -4.830 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.498 2.324 -7.117 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.785 1.731 -5.191 1.00 0.00 C ATOM 0 H ILE A 52 -2.111 3.779 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.645 1.933 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.069 3.714 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.883 0.713 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.167 1.894 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.513 2.216 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.968 3.076 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.977 1.370 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.316 0.979 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.194 2.717 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.906 1.518 -6.253 1.00 0.00 H new ATOM 747 N SER A 53 -0.522 5.102 -5.971 1.00 0.00 N ATOM 748 CA SER A 53 0.224 6.034 -6.863 1.00 0.00 C ATOM 749 C SER A 53 1.729 5.896 -6.624 1.00 0.00 C ATOM 750 O SER A 53 2.515 5.919 -7.550 1.00 0.00 O ATOM 751 CB SER A 53 -0.207 7.469 -6.562 1.00 0.00 C ATOM 752 OG SER A 53 0.080 7.770 -5.204 1.00 0.00 O ATOM 0 H SER A 53 -1.181 5.548 -5.333 1.00 0.00 H new ATOM 0 HA SER A 53 0.004 5.790 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.317 8.164 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.273 7.589 -6.756 1.00 0.00 H new ATOM 0 HG SER A 53 0.097 6.941 -4.682 1.00 0.00 H new ATOM 758 N LEU A 54 2.139 5.748 -5.394 1.00 0.00 N ATOM 759 CA LEU A 54 3.593 5.605 -5.109 1.00 0.00 C ATOM 760 C LEU A 54 4.109 4.326 -5.768 1.00 0.00 C ATOM 761 O LEU A 54 5.179 4.297 -6.344 1.00 0.00 O ATOM 762 CB LEU A 54 3.809 5.519 -3.595 1.00 0.00 C ATOM 763 CG LEU A 54 3.478 6.868 -2.940 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.505 6.707 -1.416 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.496 7.945 -3.371 1.00 0.00 C ATOM 0 H LEU A 54 1.530 5.720 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 54 4.131 6.466 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.179 4.736 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.842 5.246 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 54 2.486 7.185 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.271 7.662 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.767 5.963 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.497 6.381 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.245 8.894 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.498 7.641 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.465 8.062 -4.454 1.00 0.00 H new ATOM 777 N ALA A 55 3.352 3.267 -5.686 1.00 0.00 N ATOM 778 CA ALA A 55 3.787 1.986 -6.305 1.00 0.00 C ATOM 779 C ALA A 55 3.878 2.157 -7.822 1.00 0.00 C ATOM 780 O ALA A 55 4.801 1.686 -8.456 1.00 0.00 O ATOM 781 CB ALA A 55 2.758 0.901 -5.975 1.00 0.00 C ATOM 0 H ALA A 55 2.448 3.235 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 55 4.764 1.701 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.067 -0.043 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.688 0.782 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.785 1.190 -6.372 1.00 0.00 H new ATOM 787 N LYS A 56 2.929 2.835 -8.406 1.00 0.00 N ATOM 788 CA LYS A 56 2.957 3.046 -9.880 1.00 0.00 C ATOM 789 C LYS A 56 4.163 3.911 -10.248 1.00 0.00 C ATOM 790 O LYS A 56 4.865 3.644 -11.202 1.00 0.00 O ATOM 791 CB LYS A 56 1.677 3.764 -10.313 1.00 0.00 C ATOM 792 CG LYS A 56 0.473 2.830 -10.140 1.00 0.00 C ATOM 793 CD LYS A 56 -0.827 3.593 -10.435 1.00 0.00 C ATOM 794 CE LYS A 56 -1.020 3.755 -11.947 1.00 0.00 C ATOM 795 NZ LYS A 56 -2.379 4.305 -12.217 1.00 0.00 N ATOM 0 H LYS A 56 2.133 3.253 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 56 3.029 2.082 -10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.537 4.667 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.759 4.077 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.564 1.976 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.451 2.435 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.675 3.057 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.797 4.573 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.259 4.422 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.899 2.793 -12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.511 4.415 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.098 3.653 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.477 5.231 -11.754 1.00 0.00 H new ATOM 809 N GLN A 57 4.404 4.952 -9.495 1.00 0.00 N ATOM 810 CA GLN A 57 5.557 5.844 -9.794 1.00 0.00 C ATOM 811 C GLN A 57 6.862 5.085 -9.551 1.00 0.00 C ATOM 812 O GLN A 57 7.788 5.154 -10.332 1.00 0.00 O ATOM 813 CB GLN A 57 5.500 7.066 -8.874 1.00 0.00 C ATOM 814 CG GLN A 57 6.627 8.036 -9.238 1.00 0.00 C ATOM 815 CD GLN A 57 6.547 9.276 -8.346 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.539 9.519 -7.711 1.00 0.00 O ATOM 817 NE2 GLN A 57 7.573 10.078 -8.274 1.00 0.00 N ATOM 0 H GLN A 57 3.848 5.222 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 57 5.512 6.166 -10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.534 7.562 -8.971 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.596 6.755 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.594 7.548 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.548 8.324 -10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.418 9.874 -8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.530 10.909 -7.685 1.00 0.00 H new ATOM 826 N VAL A 58 6.937 4.361 -8.468 1.00 0.00 N ATOM 827 CA VAL A 58 8.174 3.594 -8.163 1.00 0.00 C ATOM 828 C VAL A 58 8.384 2.518 -9.229 1.00 0.00 C ATOM 829 O VAL A 58 9.476 2.334 -9.727 1.00 0.00 O ATOM 830 CB VAL A 58 8.029 2.939 -6.785 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.161 1.931 -6.560 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.090 4.019 -5.701 1.00 0.00 C ATOM 0 H VAL A 58 6.190 4.268 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 58 9.034 4.264 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 58 7.072 2.419 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.049 1.471 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.119 1.160 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.121 2.444 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.987 3.556 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.046 4.539 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.280 4.732 -5.852 1.00 0.00 H new ATOM 842 N TYR A 59 7.343 1.798 -9.575 1.00 0.00 N ATOM 843 CA TYR A 59 7.469 0.718 -10.604 1.00 0.00 C ATOM 844 C TYR A 59 6.342 0.852 -11.630 1.00 0.00 C ATOM 845 O TYR A 59 5.174 0.857 -11.295 1.00 0.00 O ATOM 846 CB TYR A 59 7.382 -0.644 -9.918 1.00 0.00 C ATOM 847 CG TYR A 59 7.677 -1.727 -10.924 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.994 -2.157 -11.121 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.635 -2.295 -11.665 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.269 -3.159 -12.059 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.910 -3.297 -12.603 1.00 0.00 C ATOM 852 CZ TYR A 59 8.227 -3.729 -12.799 1.00 0.00 C ATOM 853 OH TYR A 59 8.498 -4.717 -13.724 1.00 0.00 O ATOM 0 H TYR A 59 6.407 1.913 -9.186 1.00 0.00 H new ATOM 0 HA TYR A 59 8.428 0.808 -11.113 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.092 -0.695 -9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.389 -0.787 -9.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.798 -1.716 -10.550 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.619 -1.961 -11.513 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.285 -3.492 -12.212 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.106 -3.737 -13.175 1.00 0.00 H new ATOM 0 HH TYR A 59 7.663 -5.005 -14.149 1.00 0.00 H new ATOM 863 N ALA A 60 6.694 0.976 -12.880 1.00 0.00 N ATOM 864 CA ALA A 60 5.665 1.125 -13.949 1.00 0.00 C ATOM 865 C ALA A 60 4.899 -0.186 -14.157 1.00 0.00 C ATOM 866 O ALA A 60 5.449 -1.264 -14.062 1.00 0.00 O ATOM 867 CB ALA A 60 6.356 1.523 -15.251 1.00 0.00 C ATOM 0 H ALA A 60 7.659 0.981 -13.210 1.00 0.00 H new ATOM 0 HA ALA A 60 4.953 1.894 -13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.611 1.634 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.880 2.469 -15.111 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.071 0.751 -15.534 1.00 0.00 H new ATOM 873 N ASN A 61 3.626 -0.090 -14.452 1.00 0.00 N ATOM 874 CA ASN A 61 2.806 -1.314 -14.680 1.00 0.00 C ATOM 875 C ASN A 61 2.868 -2.198 -13.433 1.00 0.00 C ATOM 876 O ASN A 61 2.976 -3.404 -13.516 1.00 0.00 O ATOM 877 CB ASN A 61 3.345 -2.077 -15.896 1.00 0.00 C ATOM 878 CG ASN A 61 2.297 -3.082 -16.377 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.258 -4.205 -15.914 1.00 0.00 O ATOM 880 ND2 ASN A 61 1.440 -2.723 -17.293 1.00 0.00 N ATOM 0 H ASN A 61 3.119 0.790 -14.545 1.00 0.00 H new ATOM 0 HA ASN A 61 1.770 -1.034 -14.872 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.589 -1.379 -16.697 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.267 -2.595 -15.633 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.737 -3.385 -17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.473 -1.780 -17.681 1.00 0.00 H new ATOM 887 N VAL A 62 2.804 -1.594 -12.275 1.00 0.00 N ATOM 888 CA VAL A 62 2.864 -2.382 -11.013 1.00 0.00 C ATOM 889 C VAL A 62 1.524 -3.078 -10.765 1.00 0.00 C ATOM 890 O VAL A 62 0.470 -2.480 -10.858 1.00 0.00 O ATOM 891 CB VAL A 62 3.194 -1.449 -9.844 1.00 0.00 C ATOM 892 CG1 VAL A 62 2.038 -0.473 -9.609 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.420 -2.284 -8.584 1.00 0.00 C ATOM 0 H VAL A 62 2.712 -0.586 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 62 3.642 -3.141 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 62 4.095 -0.882 -10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.282 0.186 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.876 0.122 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.132 -1.032 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.655 -1.625 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.517 -2.851 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.249 -2.973 -8.748 1.00 0.00 H new ATOM 903 N GLU A 63 1.563 -4.347 -10.449 1.00 0.00 N ATOM 904 CA GLU A 63 0.305 -5.107 -10.192 1.00 0.00 C ATOM 905 C GLU A 63 -0.042 -5.038 -8.706 1.00 0.00 C ATOM 906 O GLU A 63 0.824 -4.922 -7.863 1.00 0.00 O ATOM 907 CB GLU A 63 0.517 -6.566 -10.598 1.00 0.00 C ATOM 908 CG GLU A 63 0.635 -6.653 -12.119 1.00 0.00 C ATOM 909 CD GLU A 63 0.945 -8.093 -12.528 1.00 0.00 C ATOM 910 OE1 GLU A 63 1.063 -8.927 -11.646 1.00 0.00 O ATOM 911 OE2 GLU A 63 1.060 -8.337 -13.717 1.00 0.00 O ATOM 0 H GLU A 63 2.420 -4.893 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.511 -4.675 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.419 -6.959 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.316 -7.177 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.294 -6.324 -12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.422 -5.987 -12.471 1.00 0.00 H new ATOM 918 N TYR A 64 -1.306 -5.104 -8.374 1.00 0.00 N ATOM 919 CA TYR A 64 -1.697 -5.035 -6.938 1.00 0.00 C ATOM 920 C TYR A 64 -3.060 -5.693 -6.730 1.00 0.00 C ATOM 921 O TYR A 64 -3.796 -5.939 -7.663 1.00 0.00 O ATOM 922 CB TYR A 64 -1.773 -3.577 -6.494 1.00 0.00 C ATOM 923 CG TYR A 64 -2.816 -2.842 -7.302 1.00 0.00 C ATOM 924 CD1 TYR A 64 -4.152 -2.826 -6.878 1.00 0.00 C ATOM 925 CD2 TYR A 64 -2.444 -2.162 -8.468 1.00 0.00 C ATOM 926 CE1 TYR A 64 -5.113 -2.128 -7.619 1.00 0.00 C ATOM 927 CE2 TYR A 64 -3.406 -1.466 -9.211 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.740 -1.448 -8.786 1.00 0.00 C ATOM 929 OH TYR A 64 -5.686 -0.759 -9.516 1.00 0.00 O ATOM 0 H TYR A 64 -2.079 -5.202 -9.033 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.948 -5.562 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.019 -3.524 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.801 -3.099 -6.620 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.440 -3.352 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.415 -2.174 -8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.142 -2.114 -7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.119 -0.943 -10.111 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.260 -0.344 -10.295 1.00 0.00 H new ATOM 939 N GLU A 65 -3.388 -5.995 -5.503 1.00 0.00 N ATOM 940 CA GLU A 65 -4.692 -6.650 -5.204 1.00 0.00 C ATOM 941 C GLU A 65 -5.110 -6.278 -3.787 1.00 0.00 C ATOM 942 O GLU A 65 -4.287 -5.937 -2.960 1.00 0.00 O ATOM 943 CB GLU A 65 -4.554 -8.169 -5.296 1.00 0.00 C ATOM 944 CG GLU A 65 -3.298 -8.602 -4.555 1.00 0.00 C ATOM 945 CD GLU A 65 -2.070 -8.174 -5.366 1.00 0.00 C ATOM 946 OE1 GLU A 65 -2.193 -8.081 -6.576 1.00 0.00 O ATOM 947 OE2 GLU A 65 -1.032 -7.954 -4.770 1.00 0.00 O ATOM 0 H GLU A 65 -2.802 -5.814 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.437 -6.316 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.430 -8.653 -4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.500 -8.479 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.271 -8.150 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.298 -9.683 -4.413 1.00 0.00 H new ATOM 954 N VAL A 66 -6.385 -6.345 -3.499 1.00 0.00 N ATOM 955 CA VAL A 66 -6.881 -5.993 -2.132 1.00 0.00 C ATOM 956 C VAL A 66 -7.651 -7.179 -1.548 1.00 0.00 C ATOM 957 O VAL A 66 -8.530 -7.737 -2.175 1.00 0.00 O ATOM 958 CB VAL A 66 -7.799 -4.766 -2.223 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.848 -4.974 -3.318 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.501 -4.547 -0.878 1.00 0.00 C ATOM 0 H VAL A 66 -7.110 -6.631 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.036 -5.761 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.197 -3.891 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.494 -4.098 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.350 -5.119 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.449 -5.853 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.152 -3.675 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.096 -5.426 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.755 -4.383 -0.100 1.00 0.00 H new ATOM 970 N ALA A 67 -7.317 -7.565 -0.347 1.00 0.00 N ATOM 971 CA ALA A 67 -8.011 -8.714 0.296 1.00 0.00 C ATOM 972 C ALA A 67 -9.400 -8.265 0.777 1.00 0.00 C ATOM 973 O ALA A 67 -9.657 -7.089 0.943 1.00 0.00 O ATOM 974 CB ALA A 67 -7.157 -9.205 1.486 1.00 0.00 C ATOM 0 H ALA A 67 -6.588 -7.130 0.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.137 -9.530 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.654 -10.048 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.177 -9.519 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.037 -8.395 2.206 1.00 0.00 H new ATOM 980 N PRO A 68 -10.285 -9.203 1.006 1.00 0.00 N ATOM 981 CA PRO A 68 -11.673 -8.910 1.479 1.00 0.00 C ATOM 982 C PRO A 68 -11.671 -8.171 2.825 1.00 0.00 C ATOM 983 O PRO A 68 -11.305 -8.723 3.844 1.00 0.00 O ATOM 984 CB PRO A 68 -12.317 -10.309 1.614 1.00 0.00 C ATOM 985 CG PRO A 68 -11.165 -11.260 1.692 1.00 0.00 C ATOM 986 CD PRO A 68 -10.066 -10.646 0.835 1.00 0.00 C ATOM 0 HA PRO A 68 -12.214 -8.256 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.941 -10.372 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.957 -10.533 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.833 -11.389 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.445 -12.246 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.074 -10.947 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.152 -10.947 -0.209 1.00 0.00 H new ATOM 994 N VAL A 69 -12.081 -6.926 2.825 1.00 0.00 N ATOM 995 CA VAL A 69 -12.115 -6.124 4.089 1.00 0.00 C ATOM 996 C VAL A 69 -13.527 -5.576 4.297 1.00 0.00 C ATOM 997 O VAL A 69 -14.152 -5.070 3.387 1.00 0.00 O ATOM 998 CB VAL A 69 -11.120 -4.963 3.984 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.333 -3.992 5.152 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -9.694 -5.518 4.037 1.00 0.00 C ATOM 0 H VAL A 69 -12.397 -6.426 1.994 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.841 -6.756 4.934 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.276 -4.434 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.624 -3.168 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.350 -3.600 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.177 -4.517 6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.981 -4.697 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.544 -6.045 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.541 -6.208 3.207 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.032 -5.683 5.494 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.403 -5.183 5.780 1.00 0.00 C ATOM 1012 C ALA A 70 -15.446 -3.656 5.664 1.00 0.00 C ATOM 1013 O ALA A 70 -14.474 -2.973 5.919 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.802 -5.599 7.196 1.00 0.00 C ATOM 0 H ALA A 70 -13.550 -6.098 6.291 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.098 -5.610 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.807 -5.236 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.785 -6.686 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.100 -5.172 7.912 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.575 -3.123 5.287 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.708 -1.647 5.152 1.00 0.00 C ATOM 1022 C ASP A 71 -16.546 -0.990 6.525 1.00 0.00 C ATOM 1023 O ASP A 71 -16.095 0.133 6.638 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.091 -1.320 4.582 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.176 -1.892 5.498 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.827 -2.583 6.440 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.339 -1.634 5.239 1.00 0.00 O ATOM 0 H ASP A 71 -17.418 -3.652 5.065 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.937 -1.267 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.211 -0.241 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.190 -1.738 3.580 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.911 -1.682 7.569 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.785 -1.110 8.939 1.00 0.00 C ATOM 1034 C ASN A 72 -15.409 -1.471 9.504 1.00 0.00 C ATOM 1035 O ASN A 72 -15.124 -1.252 10.665 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.875 -1.714 9.829 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.254 -1.280 9.321 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.365 -0.202 8.593 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 -20.244 -1.930 9.594 1.00 0.00 N flip ATOM 0 H ASN A 72 -17.294 -2.627 7.531 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.895 -0.026 8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.801 -2.801 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.738 -1.389 10.860 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.160 -2.773 10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -21.159 -1.633 9.254 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.558 -2.031 8.686 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.200 -2.421 9.160 1.00 0.00 C ATOM 1048 C ALA A 73 -12.362 -1.178 9.463 1.00 0.00 C ATOM 1049 O ALA A 73 -12.517 -0.143 8.844 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.505 -3.243 8.073 1.00 0.00 C ATOM 0 H ALA A 73 -14.747 -2.236 7.705 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.300 -3.010 10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.511 -3.531 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.090 -4.138 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.418 -2.646 7.165 1.00 0.00 H new ATOM 1056 N THR A 74 -11.469 -1.277 10.417 1.00 0.00 N ATOM 1057 CA THR A 74 -10.603 -0.114 10.778 1.00 0.00 C ATOM 1058 C THR A 74 -9.227 -0.284 10.134 1.00 0.00 C ATOM 1059 O THR A 74 -8.332 0.511 10.342 1.00 0.00 O ATOM 1060 CB THR A 74 -10.448 -0.051 12.300 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.173 -1.353 12.798 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.738 0.478 12.923 1.00 0.00 C ATOM 0 H THR A 74 -11.302 -2.121 10.965 1.00 0.00 H new ATOM 0 HA THR A 74 -11.061 0.807 10.418 1.00 0.00 H new ATOM 0 HB THR A 74 -9.626 0.617 12.557 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.071 -1.316 13.772 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.627 0.523 14.006 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.945 1.476 12.538 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.564 -0.187 12.670 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.047 -1.316 9.348 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.727 -1.540 8.682 1.00 0.00 C ATOM 1072 C GLU A 75 -7.951 -2.077 7.274 1.00 0.00 C ATOM 1073 O GLU A 75 -9.009 -2.583 6.953 1.00 0.00 O ATOM 1074 CB GLU A 75 -6.901 -2.548 9.486 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.638 -3.887 9.568 1.00 0.00 C ATOM 1076 CD GLU A 75 -6.820 -4.858 10.421 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.697 -4.517 10.757 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -7.327 -5.926 10.720 1.00 0.00 O ATOM 0 H GLU A 75 -9.760 -2.015 9.138 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.188 -0.594 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.927 -2.688 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.719 -2.163 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.627 -3.746 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.785 -4.297 8.569 1.00 0.00 H new ATOM 1085 N LEU A 76 -6.956 -1.969 6.428 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.088 -2.466 5.026 1.00 0.00 C ATOM 1087 C LEU A 76 -5.922 -3.399 4.710 1.00 0.00 C ATOM 1088 O LEU A 76 -4.780 -3.109 5.011 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.059 -1.283 4.054 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.446 -1.753 2.637 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.973 -1.784 2.487 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.863 -0.793 1.598 1.00 0.00 C ATOM 0 H LEU A 76 -6.051 -1.554 6.652 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.032 -3.001 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.749 -0.509 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.064 -0.839 4.039 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.047 -2.755 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.233 -2.117 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.397 -2.472 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.375 -0.785 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.138 -1.128 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.258 0.209 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.777 -0.775 1.688 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.208 -4.517 4.096 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.137 -5.495 3.736 1.00 0.00 C ATOM 1106 C HIS A 77 -4.929 -5.476 2.225 1.00 0.00 C ATOM 1107 O HIS A 77 -5.863 -5.599 1.457 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.567 -6.894 4.172 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.617 -6.947 5.672 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -6.787 -6.725 6.382 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -4.647 -7.183 6.612 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -6.493 -6.834 7.690 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -5.202 -7.111 7.887 1.00 0.00 N ATOM 0 H HIS A 77 -7.150 -4.798 3.825 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.207 -5.226 4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.545 -7.134 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.867 -7.638 3.792 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.610 -7.393 6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -7.214 -6.712 8.485 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.725 -7.242 8.779 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.708 -5.324 1.788 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.437 -5.297 0.324 1.00 0.00 C ATOM 1123 C ALA A 78 -2.024 -5.805 0.062 1.00 0.00 C ATOM 1124 O ALA A 78 -1.161 -5.731 0.913 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.569 -3.866 -0.199 1.00 0.00 C ATOM 0 H ALA A 78 -2.886 -5.217 2.383 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.157 -5.935 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.370 -3.850 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.579 -3.502 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.852 -3.224 0.313 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.788 -6.326 -1.113 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.435 -6.854 -1.461 1.00 0.00 C ATOM 1133 C ARG A 79 0.017 -6.249 -2.786 1.00 0.00 C ATOM 1134 O ARG A 79 -0.787 -5.918 -3.634 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.504 -8.374 -1.596 1.00 0.00 C ATOM 1136 CG ARG A 79 -0.694 -8.997 -0.214 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.817 -10.514 -0.351 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.937 -11.127 1.003 1.00 0.00 N ATOM 1139 CZ ARG A 79 -2.107 -11.262 1.571 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -3.187 -10.845 0.965 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -2.196 -11.812 2.751 1.00 0.00 N ATOM 0 H ARG A 79 -2.483 -6.409 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 79 0.274 -6.589 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.329 -8.655 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.410 -8.751 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.150 -8.747 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.587 -8.590 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.689 -10.766 -0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.055 -10.915 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.099 -11.444 1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.120 -10.412 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.097 -10.953 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.354 -12.135 3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.107 -11.919 3.197 1.00 0.00 H new ATOM 1155 N PHE A 80 1.304 -6.095 -2.964 1.00 0.00 N ATOM 1156 CA PHE A 80 1.838 -5.505 -4.229 1.00 0.00 C ATOM 1157 C PHE A 80 2.950 -6.399 -4.770 1.00 0.00 C ATOM 1158 O PHE A 80 3.674 -7.025 -4.020 1.00 0.00 O ATOM 1159 CB PHE A 80 2.405 -4.119 -3.930 1.00 0.00 C ATOM 1160 CG PHE A 80 1.272 -3.184 -3.587 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.760 -3.153 -2.285 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.727 -2.357 -4.574 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.295 -2.290 -1.968 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.330 -1.495 -4.258 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.841 -1.461 -2.955 1.00 0.00 C ATOM 0 H PHE A 80 2.015 -6.355 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 80 1.040 -5.427 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.112 -4.173 -3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.954 -3.743 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.179 -3.795 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.121 -2.383 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.688 -2.264 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.751 -0.856 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.656 -0.796 -2.711 1.00 0.00 H new ATOM 1175 N LYS A 81 3.091 -6.460 -6.071 1.00 0.00 N ATOM 1176 CA LYS A 81 4.157 -7.308 -6.688 1.00 0.00 C ATOM 1177 C LYS A 81 5.177 -6.407 -7.379 1.00 0.00 C ATOM 1178 O LYS A 81 4.832 -5.433 -8.019 1.00 0.00 O ATOM 1179 CB LYS A 81 3.517 -8.258 -7.713 1.00 0.00 C ATOM 1180 CG LYS A 81 3.054 -9.530 -7.007 1.00 0.00 C ATOM 1181 CD LYS A 81 2.364 -10.446 -8.008 1.00 0.00 C ATOM 1182 CE LYS A 81 2.042 -11.764 -7.321 1.00 0.00 C ATOM 1183 NZ LYS A 81 3.283 -12.512 -7.028 1.00 0.00 N ATOM 0 H LYS A 81 2.508 -5.954 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 81 4.659 -7.895 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.672 -7.770 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.235 -8.504 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.907 -10.040 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.370 -9.280 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.451 -9.980 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.008 -10.617 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.497 -11.575 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.391 -12.363 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.110 -13.180 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.580 -13.037 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.033 -11.846 -6.753 1.00 0.00 H new ATOM 1197 N PHE A 82 6.438 -6.732 -7.244 1.00 0.00 N ATOM 1198 CA PHE A 82 7.515 -5.909 -7.874 1.00 0.00 C ATOM 1199 C PHE A 82 8.510 -6.818 -8.592 1.00 0.00 C ATOM 1200 O PHE A 82 8.615 -7.995 -8.307 1.00 0.00 O ATOM 1201 CB PHE A 82 8.241 -5.112 -6.794 1.00 0.00 C ATOM 1202 CG PHE A 82 7.320 -4.042 -6.261 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.107 -2.873 -7.002 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.678 -4.215 -5.028 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.254 -1.879 -6.512 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.825 -3.220 -4.537 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.612 -2.052 -5.280 1.00 0.00 C ATOM 0 H PHE A 82 6.770 -7.541 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 82 7.069 -5.225 -8.596 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.555 -5.774 -5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.144 -4.660 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.602 -2.739 -7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.841 -5.116 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.090 -0.978 -7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.331 -3.353 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.952 -1.285 -4.902 1.00 0.00 H new ATOM 1217 N GLU A 83 9.242 -6.274 -9.523 1.00 0.00 N ATOM 1218 CA GLU A 83 10.237 -7.088 -10.271 1.00 0.00 C ATOM 1219 C GLU A 83 11.339 -7.552 -9.318 1.00 0.00 C ATOM 1220 O GLU A 83 11.835 -8.655 -9.428 1.00 0.00 O ATOM 1221 CB GLU A 83 10.857 -6.233 -11.377 1.00 0.00 C ATOM 1222 CG GLU A 83 11.807 -7.090 -12.219 1.00 0.00 C ATOM 1223 CD GLU A 83 12.388 -6.242 -13.352 1.00 0.00 C ATOM 1224 OE1 GLU A 83 11.858 -5.171 -13.598 1.00 0.00 O ATOM 1225 OE2 GLU A 83 13.356 -6.678 -13.954 1.00 0.00 O ATOM 0 H GLU A 83 9.193 -5.293 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 83 9.743 -7.956 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.074 -5.814 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.399 -5.394 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.610 -7.482 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.274 -7.948 -12.629 1.00 0.00 H new ATOM 1232 N VAL A 84 11.734 -6.714 -8.386 1.00 0.00 N ATOM 1233 CA VAL A 84 12.817 -7.104 -7.427 1.00 0.00 C ATOM 1234 C VAL A 84 12.439 -6.690 -6.003 1.00 0.00 C ATOM 1235 O VAL A 84 11.608 -5.829 -5.785 1.00 0.00 O ATOM 1236 CB VAL A 84 14.124 -6.416 -7.828 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.547 -6.890 -9.221 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.927 -4.897 -7.844 1.00 0.00 C ATOM 0 H VAL A 84 11.353 -5.778 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 84 12.945 -8.186 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 84 14.899 -6.671 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.478 -6.399 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.695 -7.970 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.769 -6.639 -9.942 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.860 -4.412 -8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.149 -4.639 -8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.631 -4.558 -6.851 1.00 0.00 H new ATOM 1248 N SER A 85 13.059 -7.308 -5.035 1.00 0.00 N ATOM 1249 CA SER A 85 12.772 -6.989 -3.608 1.00 0.00 C ATOM 1250 C SER A 85 13.189 -5.549 -3.294 1.00 0.00 C ATOM 1251 O SER A 85 12.522 -4.848 -2.556 1.00 0.00 O ATOM 1252 CB SER A 85 13.561 -7.950 -2.722 1.00 0.00 C ATOM 1253 OG SER A 85 13.264 -7.684 -1.357 1.00 0.00 O ATOM 0 H SER A 85 13.764 -8.032 -5.176 1.00 0.00 H new ATOM 0 HA SER A 85 11.703 -7.094 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.306 -8.981 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.630 -7.835 -2.903 1.00 0.00 H new ATOM 0 HG SER A 85 13.768 -8.301 -0.786 1.00 0.00 H new ATOM 1259 N ALA A 86 14.297 -5.112 -3.840 1.00 0.00 N ATOM 1260 CA ALA A 86 14.787 -3.725 -3.577 1.00 0.00 C ATOM 1261 C ALA A 86 13.613 -2.738 -3.580 1.00 0.00 C ATOM 1262 O ALA A 86 13.550 -1.827 -2.778 1.00 0.00 O ATOM 1263 CB ALA A 86 15.782 -3.333 -4.673 1.00 0.00 C ATOM 0 H ALA A 86 14.888 -5.663 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 86 15.271 -3.694 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.145 -2.322 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.622 -4.027 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.288 -3.370 -5.644 1.00 0.00 H new ATOM 1269 N GLU A 87 12.683 -2.924 -4.474 1.00 0.00 N ATOM 1270 CA GLU A 87 11.508 -2.014 -4.540 1.00 0.00 C ATOM 1271 C GLU A 87 10.667 -2.174 -3.272 1.00 0.00 C ATOM 1272 O GLU A 87 10.076 -1.233 -2.785 1.00 0.00 O ATOM 1273 CB GLU A 87 10.660 -2.382 -5.757 1.00 0.00 C ATOM 1274 CG GLU A 87 11.460 -2.142 -7.041 1.00 0.00 C ATOM 1275 CD GLU A 87 11.754 -0.650 -7.193 1.00 0.00 C ATOM 1276 OE1 GLU A 87 11.069 0.136 -6.559 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.659 -0.317 -7.940 1.00 0.00 O ATOM 0 H GLU A 87 12.687 -3.673 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 87 11.848 -0.982 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.357 -3.427 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.748 -1.785 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.393 -2.705 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.899 -2.502 -7.903 1.00 0.00 H new ATOM 1284 N LYS A 88 10.609 -3.361 -2.736 1.00 0.00 N ATOM 1285 CA LYS A 88 9.809 -3.590 -1.501 1.00 0.00 C ATOM 1286 C LYS A 88 10.370 -2.753 -0.355 1.00 0.00 C ATOM 1287 O LYS A 88 9.637 -2.136 0.392 1.00 0.00 O ATOM 1288 CB LYS A 88 9.887 -5.072 -1.123 1.00 0.00 C ATOM 1289 CG LYS A 88 9.018 -5.343 0.107 1.00 0.00 C ATOM 1290 CD LYS A 88 9.049 -6.840 0.430 1.00 0.00 C ATOM 1291 CE LYS A 88 8.175 -7.116 1.654 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.167 -8.581 1.939 1.00 0.00 N ATOM 0 H LYS A 88 11.084 -4.186 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 88 8.774 -3.302 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.552 -5.687 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.921 -5.350 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.383 -4.768 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.994 -5.021 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.690 -7.415 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.073 -7.160 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.555 -6.569 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.159 -6.764 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.573 -8.769 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.785 -9.092 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.138 -8.903 2.127 1.00 0.00 H new ATOM 1306 N LEU A 89 11.663 -2.741 -0.196 1.00 0.00 N ATOM 1307 CA LEU A 89 12.263 -1.961 0.921 1.00 0.00 C ATOM 1308 C LEU A 89 11.956 -0.471 0.751 1.00 0.00 C ATOM 1309 O LEU A 89 11.496 0.184 1.664 1.00 0.00 O ATOM 1310 CB LEU A 89 13.783 -2.165 0.908 1.00 0.00 C ATOM 1311 CG LEU A 89 14.425 -1.457 2.110 1.00 0.00 C ATOM 1312 CD1 LEU A 89 13.891 -2.055 3.426 1.00 0.00 C ATOM 1313 CD2 LEU A 89 15.949 -1.625 2.034 1.00 0.00 C ATOM 0 H LEU A 89 12.329 -3.236 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 89 11.842 -2.305 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.014 -3.230 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.202 -1.774 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 89 14.173 -0.397 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.353 -1.545 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.810 -1.926 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.132 -3.117 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.413 -1.125 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.200 -2.686 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.318 -1.184 1.108 1.00 0.00 H new ATOM 1325 N ILE A 90 12.212 0.069 -0.409 1.00 0.00 N ATOM 1326 CA ILE A 90 11.942 1.517 -0.636 1.00 0.00 C ATOM 1327 C ILE A 90 10.428 1.769 -0.650 1.00 0.00 C ATOM 1328 O ILE A 90 9.938 2.703 -0.050 1.00 0.00 O ATOM 1329 CB ILE A 90 12.573 1.929 -1.981 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.083 2.144 -1.797 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.940 3.228 -2.492 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.705 0.932 -1.101 1.00 0.00 C ATOM 0 H ILE A 90 12.597 -0.431 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 90 12.378 2.112 0.167 1.00 0.00 H new ATOM 0 HB ILE A 90 12.396 1.135 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.557 2.300 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.261 3.043 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.396 3.506 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.869 3.080 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.104 4.023 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.775 1.094 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.241 0.796 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.542 0.041 -1.707 1.00 0.00 H new ATOM 1344 N PHE A 91 9.692 0.945 -1.341 1.00 0.00 N ATOM 1345 CA PHE A 91 8.216 1.130 -1.411 1.00 0.00 C ATOM 1346 C PHE A 91 7.601 0.991 -0.019 1.00 0.00 C ATOM 1347 O PHE A 91 6.754 1.766 0.377 1.00 0.00 O ATOM 1348 CB PHE A 91 7.623 0.074 -2.344 1.00 0.00 C ATOM 1349 CG PHE A 91 6.121 0.235 -2.392 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.559 1.377 -2.974 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.289 -0.758 -1.854 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.169 1.527 -3.021 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.899 -0.607 -1.902 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.339 0.536 -2.484 1.00 0.00 C ATOM 0 H PHE A 91 10.052 0.146 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 91 7.995 2.127 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.043 0.179 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.882 -0.925 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.199 2.143 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.721 -1.639 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.736 2.408 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.258 -1.372 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.266 0.653 -2.519 1.00 0.00 H new ATOM 1364 N GLU A 92 8.014 0.000 0.722 1.00 0.00 N ATOM 1365 CA GLU A 92 7.448 -0.203 2.081 1.00 0.00 C ATOM 1366 C GLU A 92 7.767 1.006 2.966 1.00 0.00 C ATOM 1367 O GLU A 92 6.957 1.431 3.764 1.00 0.00 O ATOM 1368 CB GLU A 92 8.062 -1.463 2.698 1.00 0.00 C ATOM 1369 CG GLU A 92 7.410 -1.741 4.054 1.00 0.00 C ATOM 1370 CD GLU A 92 7.985 -3.031 4.644 1.00 0.00 C ATOM 1371 OE1 GLU A 92 8.984 -3.502 4.125 1.00 0.00 O ATOM 1372 OE2 GLU A 92 7.416 -3.525 5.603 1.00 0.00 O ATOM 0 H GLU A 92 8.722 -0.679 0.442 1.00 0.00 H new ATOM 0 HA GLU A 92 6.366 -0.316 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.917 -2.314 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.137 -1.333 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.589 -0.907 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.330 -1.832 3.938 1.00 0.00 H new ATOM 1379 N LEU A 93 8.944 1.558 2.837 1.00 0.00 N ATOM 1380 CA LEU A 93 9.314 2.731 3.678 1.00 0.00 C ATOM 1381 C LEU A 93 8.392 3.913 3.362 1.00 0.00 C ATOM 1382 O LEU A 93 7.908 4.590 4.247 1.00 0.00 O ATOM 1383 CB LEU A 93 10.764 3.125 3.370 1.00 0.00 C ATOM 1384 CG LEU A 93 11.737 2.150 4.054 1.00 0.00 C ATOM 1385 CD1 LEU A 93 13.130 2.326 3.442 1.00 0.00 C ATOM 1386 CD2 LEU A 93 11.807 2.424 5.571 1.00 0.00 C ATOM 0 H LEU A 93 9.664 1.247 2.185 1.00 0.00 H new ATOM 0 HA LEU A 93 9.211 2.470 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.929 3.119 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.953 4.141 3.716 1.00 0.00 H new ATOM 0 HG LEU A 93 11.383 1.131 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.827 1.639 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.087 2.114 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.468 3.351 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.501 1.723 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.153 3.444 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.817 2.299 6.009 1.00 0.00 H new ATOM 1398 N LYS A 94 8.145 4.166 2.106 1.00 0.00 N ATOM 1399 CA LYS A 94 7.257 5.301 1.734 1.00 0.00 C ATOM 1400 C LYS A 94 5.828 5.027 2.204 1.00 0.00 C ATOM 1401 O LYS A 94 5.163 5.889 2.743 1.00 0.00 O ATOM 1402 CB LYS A 94 7.270 5.476 0.214 1.00 0.00 C ATOM 1403 CG LYS A 94 8.618 6.056 -0.224 1.00 0.00 C ATOM 1404 CD LYS A 94 8.626 6.231 -1.745 1.00 0.00 C ATOM 1405 CE LYS A 94 9.890 6.982 -2.169 1.00 0.00 C ATOM 1406 NZ LYS A 94 11.094 6.188 -1.794 1.00 0.00 N ATOM 0 H LYS A 94 8.521 3.634 1.321 1.00 0.00 H new ATOM 0 HA LYS A 94 7.619 6.211 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.099 4.517 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.461 6.138 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.790 7.015 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.428 5.393 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.588 5.257 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.740 6.781 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.878 7.156 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.923 7.960 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.693 6.747 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.798 5.314 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.632 5.948 -2.651 1.00 0.00 H new ATOM 1420 N THR A 95 5.350 3.831 1.998 1.00 0.00 N ATOM 1421 CA THR A 95 3.964 3.498 2.423 1.00 0.00 C ATOM 1422 C THR A 95 3.881 3.488 3.950 1.00 0.00 C ATOM 1423 O THR A 95 2.890 3.881 4.529 1.00 0.00 O ATOM 1424 CB THR A 95 3.592 2.118 1.880 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.599 1.186 2.246 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.478 2.179 0.355 1.00 0.00 C ATOM 0 H THR A 95 5.862 3.069 1.553 1.00 0.00 H new ATOM 0 HA THR A 95 3.273 4.245 2.033 1.00 0.00 H new ATOM 0 HB THR A 95 2.635 1.806 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.339 1.236 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.213 1.194 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.707 2.897 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.433 2.489 -0.069 1.00 0.00 H new ATOM 1434 N ARG A 96 4.918 3.047 4.608 1.00 0.00 N ATOM 1435 CA ARG A 96 4.898 3.022 6.096 1.00 0.00 C ATOM 1436 C ARG A 96 4.902 4.460 6.612 1.00 0.00 C ATOM 1437 O ARG A 96 4.231 4.791 7.570 1.00 0.00 O ATOM 1438 CB ARG A 96 6.136 2.278 6.613 1.00 0.00 C ATOM 1439 CG ARG A 96 6.038 2.066 8.138 1.00 0.00 C ATOM 1440 CD ARG A 96 5.238 0.793 8.447 1.00 0.00 C ATOM 1441 NE ARG A 96 5.940 -0.383 7.863 1.00 0.00 N ATOM 1442 CZ ARG A 96 5.353 -1.551 7.835 1.00 0.00 C ATOM 1443 NH1 ARG A 96 4.161 -1.699 8.347 1.00 0.00 N ATOM 1444 NH2 ARG A 96 5.963 -2.572 7.299 1.00 0.00 N ATOM 0 H ARG A 96 5.777 2.703 4.179 1.00 0.00 H new ATOM 0 HA ARG A 96 4.004 2.508 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.226 1.315 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.035 2.846 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.037 1.989 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.558 2.927 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.132 0.669 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.232 0.873 8.034 1.00 0.00 H new ATOM 0 HE ARG A 96 6.881 -0.277 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.685 -0.902 8.770 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.706 -2.611 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.896 -2.458 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.507 -3.484 7.276 1.00 0.00 H new ATOM 1458 N ALA A 97 5.656 5.320 5.981 1.00 0.00 N ATOM 1459 CA ALA A 97 5.708 6.737 6.427 1.00 0.00 C ATOM 1460 C ALA A 97 4.293 7.314 6.425 1.00 0.00 C ATOM 1461 O ALA A 97 3.858 7.928 7.378 1.00 0.00 O ATOM 1462 CB ALA A 97 6.585 7.534 5.457 1.00 0.00 C ATOM 0 H ALA A 97 6.239 5.099 5.174 1.00 0.00 H new ATOM 0 HA ALA A 97 6.126 6.796 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.628 8.575 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.591 7.115 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.160 7.480 4.455 1.00 0.00 H new ATOM 1468 N LEU A 98 3.570 7.110 5.358 1.00 0.00 N ATOM 1469 CA LEU A 98 2.180 7.631 5.283 1.00 0.00 C ATOM 1470 C LEU A 98 1.322 6.948 6.350 1.00 0.00 C ATOM 1471 O LEU A 98 0.508 7.570 7.001 1.00 0.00 O ATOM 1472 CB LEU A 98 1.604 7.331 3.896 1.00 0.00 C ATOM 1473 CG LEU A 98 2.316 8.182 2.832 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.872 7.718 1.439 1.00 0.00 C ATOM 1475 CD2 LEU A 98 1.974 9.676 3.020 1.00 0.00 C ATOM 0 H LEU A 98 3.886 6.602 4.532 1.00 0.00 H new ATOM 0 HA LEU A 98 2.182 8.707 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.723 6.272 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.534 7.541 3.885 1.00 0.00 H new ATOM 0 HG LEU A 98 3.394 8.059 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.373 8.317 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.134 6.669 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.793 7.838 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.486 10.265 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.897 9.818 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.297 10.002 4.009 1.00 0.00 H new ATOM 1487 N ALA A 99 1.499 5.668 6.525 1.00 0.00 N ATOM 1488 CA ALA A 99 0.703 4.925 7.540 1.00 0.00 C ATOM 1489 C ALA A 99 1.040 5.437 8.942 1.00 0.00 C ATOM 1490 O ALA A 99 0.206 5.451 9.825 1.00 0.00 O ATOM 1491 CB ALA A 99 1.033 3.437 7.444 1.00 0.00 C ATOM 0 H ALA A 99 2.167 5.101 6.003 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.360 5.079 7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.453 2.887 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.786 3.073 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.096 3.287 7.631 1.00 0.00 H new ATOM 1497 N ARG A 100 2.258 5.853 9.155 1.00 0.00 N ATOM 1498 CA ARG A 100 2.658 6.365 10.497 1.00 0.00 C ATOM 1499 C ARG A 100 2.381 7.866 10.562 1.00 0.00 C ATOM 1500 O ARG A 100 2.650 8.518 11.550 1.00 0.00 O ATOM 1501 CB ARG A 100 4.151 6.105 10.709 1.00 0.00 C ATOM 1502 CG ARG A 100 4.402 4.592 10.771 1.00 0.00 C ATOM 1503 CD ARG A 100 3.735 3.982 12.019 1.00 0.00 C ATOM 1504 NE ARG A 100 2.373 3.498 11.658 1.00 0.00 N ATOM 1505 CZ ARG A 100 1.645 2.869 12.540 1.00 0.00 C ATOM 1506 NH1 ARG A 100 2.116 2.646 13.739 1.00 0.00 N ATOM 1507 NH2 ARG A 100 0.448 2.456 12.224 1.00 0.00 N ATOM 0 H ARG A 100 2.998 5.860 8.453 1.00 0.00 H new ATOM 0 HA ARG A 100 2.088 5.857 11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.727 6.547 9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.486 6.578 11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.009 4.116 9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.474 4.396 10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.337 3.158 12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.671 4.726 12.813 1.00 0.00 H new ATOM 0 HE ARG A 100 2.008 3.659 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.053 2.964 13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.546 2.154 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.081 2.625 11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.121 1.964 12.914 1.00 0.00 H new ATOM 1521 N LEU A 101 1.843 8.415 9.509 1.00 0.00 N ATOM 1522 CA LEU A 101 1.544 9.871 9.492 1.00 0.00 C ATOM 1523 C LEU A 101 0.502 10.195 10.564 1.00 0.00 C ATOM 1524 O LEU A 101 0.610 11.180 11.267 1.00 0.00 O ATOM 1525 CB LEU A 101 0.988 10.253 8.114 1.00 0.00 C ATOM 1526 CG LEU A 101 0.738 11.767 8.039 1.00 0.00 C ATOM 1527 CD1 LEU A 101 2.061 12.536 8.211 1.00 0.00 C ATOM 1528 CD2 LEU A 101 0.114 12.100 6.677 1.00 0.00 C ATOM 0 H LEU A 101 1.597 7.914 8.656 1.00 0.00 H new ATOM 0 HA LEU A 101 2.456 10.433 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.691 9.955 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.059 9.715 7.928 1.00 0.00 H new ATOM 0 HG LEU A 101 0.060 12.063 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.869 13.608 8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.498 12.295 9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.754 12.250 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.068 13.173 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.795 11.799 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.829 11.565 6.568 1.00 0.00 H new ATOM 1540 N GLU A 102 -0.513 9.378 10.692 1.00 0.00 N ATOM 1541 CA GLU A 102 -1.573 9.642 11.712 1.00 0.00 C ATOM 1542 C GLU A 102 -1.282 8.839 12.981 1.00 0.00 C ATOM 1543 O GLU A 102 -1.200 7.627 12.958 1.00 0.00 O ATOM 1544 CB GLU A 102 -2.932 9.240 11.137 1.00 0.00 C ATOM 1545 CG GLU A 102 -3.301 10.209 10.010 1.00 0.00 C ATOM 1546 CD GLU A 102 -4.622 9.781 9.368 1.00 0.00 C ATOM 1547 OE1 GLU A 102 -5.150 8.758 9.771 1.00 0.00 O ATOM 1548 OE2 GLU A 102 -5.083 10.486 8.486 1.00 0.00 O ATOM 0 H GLU A 102 -0.653 8.537 10.132 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.585 10.702 11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.894 8.219 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.693 9.262 11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.389 11.222 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.511 10.226 9.260 1.00 0.00 H new ATOM 1555 N HIS A 103 -1.120 9.514 14.091 1.00 0.00 N ATOM 1556 CA HIS A 103 -0.827 8.810 15.376 1.00 0.00 C ATOM 1557 C HIS A 103 -2.111 8.675 16.195 1.00 0.00 C ATOM 1558 O HIS A 103 -2.268 9.290 17.231 1.00 0.00 O ATOM 1559 CB HIS A 103 0.209 9.618 16.163 1.00 0.00 C ATOM 1560 CG HIS A 103 0.520 8.922 17.458 1.00 0.00 C ATOM 1561 ND1 HIS A 103 1.098 7.663 17.501 1.00 0.00 N ATOM 1562 CD2 HIS A 103 0.349 9.301 18.766 1.00 0.00 C ATOM 1563 CE1 HIS A 103 1.254 7.334 18.797 1.00 0.00 C ATOM 1564 NE2 HIS A 103 0.813 8.298 19.610 1.00 0.00 N ATOM 0 H HIS A 103 -1.179 10.530 14.162 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.434 7.815 15.169 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.119 9.733 15.573 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.171 10.620 16.360 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.081 10.237 19.091 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.684 6.404 19.138 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.816 8.298 20.630 1.00 0.00 H new ATOM 1572 N HIS A 104 -3.029 7.865 15.736 1.00 0.00 N ATOM 1573 CA HIS A 104 -4.305 7.665 16.479 1.00 0.00 C ATOM 1574 C HIS A 104 -4.116 6.532 17.489 1.00 0.00 C ATOM 1575 O HIS A 104 -4.913 6.341 18.386 1.00 0.00 O ATOM 1576 CB HIS A 104 -5.414 7.304 15.490 1.00 0.00 C ATOM 1577 CG HIS A 104 -5.794 8.525 14.696 1.00 0.00 C ATOM 1578 ND1 HIS A 104 -6.211 9.699 15.303 1.00 0.00 N ATOM 1579 CD2 HIS A 104 -5.832 8.768 13.344 1.00 0.00 C ATOM 1580 CE1 HIS A 104 -6.480 10.587 14.327 1.00 0.00 C ATOM 1581 NE2 HIS A 104 -6.265 10.070 13.115 1.00 0.00 N ATOM 0 H HIS A 104 -2.947 7.330 14.871 1.00 0.00 H new ATOM 0 HA HIS A 104 -4.581 8.579 17.005 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -5.076 6.513 14.821 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -6.283 6.920 16.025 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.566 8.057 12.576 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.827 11.594 14.503 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.391 10.531 12.214 1.00 0.00 H new ATOM 1589 N HIS A 105 -3.049 5.787 17.344 1.00 0.00 N ATOM 1590 CA HIS A 105 -2.757 4.663 18.283 1.00 0.00 C ATOM 1591 C HIS A 105 -3.926 3.674 18.324 1.00 0.00 C ATOM 1592 O HIS A 105 -5.056 4.012 18.034 1.00 0.00 O ATOM 1593 CB HIS A 105 -2.490 5.224 19.682 1.00 0.00 C ATOM 1594 CG HIS A 105 -2.227 4.099 20.644 1.00 0.00 C ATOM 1595 ND1 HIS A 105 -2.975 3.578 21.669 1.00 0.00 N flip ATOM 1596 CD2 HIS A 105 -1.049 3.367 20.625 1.00 0.00 C flip ATOM 1597 CE1 HIS A 105 -2.276 2.541 22.280 1.00 0.00 C flip ATOM 1598 NE2 HIS A 105 -1.122 2.456 21.613 1.00 0.00 N flip ATOM 0 H HIS A 105 -2.359 5.913 16.604 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.874 4.130 17.932 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.634 5.899 19.655 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.346 5.809 20.018 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.224 3.503 19.942 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.598 1.935 23.114 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.386 1.783 21.826 1.00 0.00 H new ATOM 1606 N HIS A 106 -3.648 2.443 18.670 1.00 0.00 N ATOM 1607 CA HIS A 106 -4.722 1.410 18.721 1.00 0.00 C ATOM 1608 C HIS A 106 -5.550 1.562 20.000 1.00 0.00 C ATOM 1609 O HIS A 106 -5.023 1.679 21.089 1.00 0.00 O ATOM 1610 CB HIS A 106 -4.083 0.018 18.688 1.00 0.00 C ATOM 1611 CG HIS A 106 -3.522 -0.241 17.316 1.00 0.00 C ATOM 1612 ND1 HIS A 106 -2.258 0.187 16.939 1.00 0.00 N ATOM 1613 CD2 HIS A 106 -4.044 -0.877 16.218 1.00 0.00 C ATOM 1614 CE1 HIS A 106 -2.065 -0.193 15.662 1.00 0.00 C ATOM 1615 NE2 HIS A 106 -3.123 -0.847 15.175 1.00 0.00 N ATOM 0 H HIS A 106 -2.717 2.109 18.920 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.380 1.538 17.861 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.292 -0.049 19.435 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.824 -0.741 18.939 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.022 -1.332 16.170 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -1.165 0.007 15.100 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -3.232 -1.240 14.240 1.00 0.00 H new ATOM 1623 N HIS A 107 -6.851 1.547 19.868 1.00 0.00 N ATOM 1624 CA HIS A 107 -7.735 1.677 21.059 1.00 0.00 C ATOM 1625 C HIS A 107 -7.571 0.441 21.943 1.00 0.00 C ATOM 1626 O HIS A 107 -7.496 0.533 23.151 1.00 0.00 O ATOM 1627 CB HIS A 107 -9.187 1.777 20.591 1.00 0.00 C ATOM 1628 CG HIS A 107 -10.078 2.066 21.765 1.00 0.00 C ATOM 1629 ND1 HIS A 107 -10.678 1.059 22.504 1.00 0.00 N ATOM 1630 CD2 HIS A 107 -10.481 3.245 22.340 1.00 0.00 C ATOM 1631 CE1 HIS A 107 -11.404 1.645 23.473 1.00 0.00 C ATOM 1632 NE2 HIS A 107 -11.318 2.977 23.418 1.00 0.00 N ATOM 0 H HIS A 107 -7.340 1.449 18.978 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.468 2.569 21.626 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.285 2.565 19.845 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -9.490 0.846 20.113 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -10.586 0.056 22.343 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.192 4.231 22.006 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.985 1.105 24.206 1.00 0.00 H new ATOM 1640 N HIS A 108 -7.518 -0.717 21.339 1.00 0.00 N ATOM 1641 CA HIS A 108 -7.360 -1.974 22.121 1.00 0.00 C ATOM 1642 C HIS A 108 -8.479 -2.085 23.158 1.00 0.00 C ATOM 1643 O HIS A 108 -8.237 -2.666 24.201 1.00 0.00 O ATOM 1644 CB HIS A 108 -6.001 -1.970 22.827 1.00 0.00 C ATOM 1645 CG HIS A 108 -5.766 -3.307 23.471 1.00 0.00 C ATOM 1646 ND1 HIS A 108 -5.568 -4.461 22.729 1.00 0.00 N ATOM 1647 CD2 HIS A 108 -5.689 -3.689 24.787 1.00 0.00 C ATOM 1648 CE1 HIS A 108 -5.384 -5.473 23.596 1.00 0.00 C ATOM 1649 NE2 HIS A 108 -5.447 -5.057 24.864 1.00 0.00 N ATOM 1650 OXT HIS A 108 -9.562 -1.589 22.888 1.00 0.00 O ATOM 0 H HIS A 108 -7.578 -0.845 20.329 1.00 0.00 H new ATOM 0 HA HIS A 108 -7.415 -2.827 21.445 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -5.208 -1.755 22.111 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.973 -1.182 23.580 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -5.799 -3.028 25.634 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.207 -6.497 23.303 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -5.341 -5.621 25.707 1.00 0.00 H new TER 1658 HIS A 108