USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -0.32 K(o=-27,f=-26) USER MOD Set 1.2: A 34 ASN : amide:sc= -4.6! C(o=-27!,f=-34!) USER MOD Set 1.3: A 39 HIS : no HE2:sc= -6.33! K(o=-27!,f=-22) USER MOD Set 1.4: A 86 HIS : no HE2:sc= -8.05! C(o=-27!,f=-24!) USER MOD Set 1.5: A 91 MET CE :methyl -144:sc= -7.41! (180deg=-9.08!) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= 0.0127 USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.88 K(o=-3.9,f=-7.8!) USER MOD Single : A 4 THR OG1 : rot 81:sc= 0.694 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -150:sc= -4.92! (180deg=-6.34!) USER MOD Single : A 9 SER OG : rot 85:sc= 0.115 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 71:sc= 0.0988 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.29 K(o=-3.3,f=-4.5!) USER MOD Single : A 52 THR OG1 : rot 140:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0962) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -8.08! C(o=-8.1!,f=-13!) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0538) USER MOD Single : A 68 SER OG : rot 130:sc= -1.18 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 71 SER OG : rot -137:sc= 0.0856! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 79 TYR OH : rot 165:sc= -0.796 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -5.84! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.043 -6.161 15.384 1.00 10.00 N ATOM 2 CA ALA A 1 2.338 -6.190 14.729 1.00 10.00 C ATOM 3 C ALA A 1 2.150 -6.543 13.251 1.00 10.00 C ATOM 4 O ALA A 1 1.933 -7.706 12.910 1.00 10.00 O ATOM 5 CB ALA A 1 3.256 -7.178 15.452 1.00 10.00 C ATOM 0 H1 ALA A 1 1.167 -5.921 16.388 1.00 10.00 H new ATOM 0 H2 ALA A 1 0.440 -5.446 14.930 1.00 10.00 H new ATOM 0 H3 ALA A 1 0.593 -7.095 15.304 1.00 10.00 H new ATOM 0 HA ALA A 1 2.813 -5.210 14.777 1.00 10.00 H new ATOM 0 HB1 ALA A 1 4.228 -7.199 14.959 1.00 10.00 H new ATOM 0 HB2 ALA A 1 3.381 -6.866 16.489 1.00 10.00 H new ATOM 0 HB3 ALA A 1 2.813 -8.174 15.424 1.00 10.00 H new ATOM 11 N ASN A 2 2.239 -5.519 12.415 1.00 10.00 N ATOM 12 CA ASN A 2 2.080 -5.707 10.984 1.00 10.00 C ATOM 13 C ASN A 2 3.117 -4.860 10.244 1.00 10.00 C ATOM 14 O ASN A 2 3.937 -4.190 10.871 1.00 10.00 O ATOM 15 CB ASN A 2 0.690 -5.266 10.520 1.00 10.00 C ATOM 16 CG ASN A 2 -0.176 -6.474 10.160 1.00 10.00 C ATOM 17 OD1 ASN A 2 -0.942 -6.460 9.210 1.00 10.00 O ATOM 18 ND2 ASN A 2 -0.016 -7.516 10.970 1.00 10.00 N ATOM 0 H ASN A 2 2.419 -4.557 12.702 1.00 10.00 H new ATOM 0 HA ASN A 2 2.212 -6.767 10.767 1.00 10.00 H new ATOM 0 HB2 ASN A 2 0.206 -4.689 11.308 1.00 10.00 H new ATOM 0 HB3 ASN A 2 0.783 -4.610 9.655 1.00 10.00 H new ATOM 0 HD21 ASN A 2 -0.552 -8.370 10.814 1.00 10.00 H new ATOM 0 HD22 ASN A 2 0.642 -7.461 11.747 1.00 10.00 H new ATOM 25 N ALA A 3 3.046 -4.914 8.921 1.00 10.00 N ATOM 26 CA ALA A 3 3.968 -4.158 8.090 1.00 10.00 C ATOM 27 C ALA A 3 3.183 -3.138 7.265 1.00 10.00 C ATOM 28 O ALA A 3 2.556 -3.491 6.269 1.00 10.00 O ATOM 29 CB ALA A 3 4.773 -5.123 7.216 1.00 10.00 C ATOM 0 H ALA A 3 2.364 -5.470 8.405 1.00 10.00 H new ATOM 0 HA ALA A 3 4.678 -3.606 8.705 1.00 10.00 H new ATOM 0 HB1 ALA A 3 5.465 -4.558 6.592 1.00 10.00 H new ATOM 0 HB2 ALA A 3 5.334 -5.808 7.852 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.094 -5.692 6.581 1.00 10.00 H new ATOM 35 N THR A 4 3.246 -1.891 7.710 1.00 10.00 N ATOM 36 CA THR A 4 2.550 -0.815 7.025 1.00 10.00 C ATOM 37 C THR A 4 3.549 0.100 6.315 1.00 10.00 C ATOM 38 O THR A 4 4.731 0.119 6.657 1.00 10.00 O ATOM 39 CB THR A 4 1.679 -0.087 8.051 1.00 10.00 C ATOM 40 OG1 THR A 4 1.271 1.101 7.378 1.00 10.00 O ATOM 41 CG2 THR A 4 2.486 0.422 9.247 1.00 10.00 C ATOM 0 H THR A 4 3.769 -1.602 8.537 1.00 10.00 H new ATOM 0 HA THR A 4 1.899 -1.201 6.241 1.00 10.00 H new ATOM 0 HB THR A 4 0.893 -0.757 8.401 1.00 10.00 H new ATOM 0 HG1 THR A 4 0.518 0.898 6.784 1.00 10.00 H new ATOM 0 HG21 THR A 4 1.821 0.931 9.945 1.00 10.00 H new ATOM 0 HG22 THR A 4 2.963 -0.420 9.749 1.00 10.00 H new ATOM 0 HG23 THR A 4 3.250 1.118 8.901 1.00 10.00 H new ATOM 49 N VAL A 5 3.038 0.838 5.341 1.00 10.00 N ATOM 50 CA VAL A 5 3.871 1.755 4.581 1.00 10.00 C ATOM 51 C VAL A 5 3.057 3.000 4.223 1.00 10.00 C ATOM 52 O VAL A 5 2.095 2.920 3.462 1.00 10.00 O ATOM 53 CB VAL A 5 4.446 1.045 3.353 1.00 10.00 C ATOM 54 CG1 VAL A 5 5.109 2.042 2.403 1.00 10.00 C ATOM 55 CG2 VAL A 5 5.427 -0.055 3.767 1.00 10.00 C ATOM 0 H VAL A 5 2.058 0.820 5.060 1.00 10.00 H new ATOM 0 HA VAL A 5 4.721 2.083 5.179 1.00 10.00 H new ATOM 0 HB VAL A 5 3.620 0.575 2.820 1.00 10.00 H new ATOM 0 HG11 VAL A 5 5.509 1.511 1.539 1.00 10.00 H new ATOM 0 HG12 VAL A 5 4.372 2.773 2.070 1.00 10.00 H new ATOM 0 HG13 VAL A 5 5.920 2.554 2.921 1.00 10.00 H new ATOM 0 HG21 VAL A 5 5.822 -0.544 2.877 1.00 10.00 H new ATOM 0 HG22 VAL A 5 6.248 0.384 4.334 1.00 10.00 H new ATOM 0 HG23 VAL A 5 4.911 -0.789 4.386 1.00 10.00 H new ATOM 65 N LYS A 6 3.474 4.123 4.791 1.00 10.00 N ATOM 66 CA LYS A 6 2.795 5.384 4.543 1.00 10.00 C ATOM 67 C LYS A 6 2.816 5.681 3.041 1.00 10.00 C ATOM 68 O LYS A 6 3.843 6.089 2.500 1.00 10.00 O ATOM 69 CB LYS A 6 3.402 6.497 5.398 1.00 10.00 C ATOM 70 CG LYS A 6 4.824 6.829 4.939 1.00 10.00 C ATOM 71 CD LYS A 6 5.775 6.931 6.133 1.00 10.00 C ATOM 72 CE LYS A 6 5.756 8.340 6.730 1.00 10.00 C ATOM 73 NZ LYS A 6 6.371 8.341 8.076 1.00 10.00 N ATOM 0 H LYS A 6 4.273 4.186 5.422 1.00 10.00 H new ATOM 0 HA LYS A 6 1.749 5.319 4.842 1.00 10.00 H new ATOM 0 HB2 LYS A 6 2.779 7.389 5.336 1.00 10.00 H new ATOM 0 HB3 LYS A 6 3.416 6.190 6.444 1.00 10.00 H new ATOM 0 HG2 LYS A 6 5.177 6.060 4.253 1.00 10.00 H new ATOM 0 HG3 LYS A 6 4.822 7.770 4.389 1.00 10.00 H new ATOM 0 HD2 LYS A 6 5.488 6.206 6.894 1.00 10.00 H new ATOM 0 HD3 LYS A 6 6.788 6.679 5.818 1.00 10.00 H new ATOM 0 HE2 LYS A 6 6.296 9.025 6.077 1.00 10.00 H new ATOM 0 HE3 LYS A 6 4.729 8.701 6.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 6.350 9.305 8.467 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 5.839 7.702 8.701 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 7.357 8.017 8.008 1.00 10.00 H new ATOM 87 N MET A 7 1.671 5.465 2.412 1.00 10.00 N ATOM 88 CA MET A 7 1.545 5.705 0.985 1.00 10.00 C ATOM 89 C MET A 7 1.891 7.155 0.640 1.00 10.00 C ATOM 90 O MET A 7 1.019 8.020 0.630 1.00 10.00 O ATOM 91 CB MET A 7 0.112 5.404 0.540 1.00 10.00 C ATOM 92 CG MET A 7 0.026 4.039 -0.148 1.00 10.00 C ATOM 93 SD MET A 7 -1.228 4.075 -1.417 1.00 10.00 S ATOM 94 CE MET A 7 -2.694 4.157 -0.404 1.00 10.00 C ATOM 0 H MET A 7 0.822 5.126 2.864 1.00 10.00 H new ATOM 0 HA MET A 7 2.243 5.050 0.463 1.00 10.00 H new ATOM 0 HB2 MET A 7 -0.552 5.422 1.404 1.00 10.00 H new ATOM 0 HB3 MET A 7 -0.231 6.181 -0.142 1.00 10.00 H new ATOM 0 HG2 MET A 7 0.991 3.781 -0.585 1.00 10.00 H new ATOM 0 HG3 MET A 7 -0.208 3.267 0.585 1.00 10.00 H new ATOM 0 HE1 MET A 7 -3.521 3.671 -0.921 1.00 10.00 H new ATOM 0 HE2 MET A 7 -2.511 3.650 0.543 1.00 10.00 H new ATOM 0 HE3 MET A 7 -2.947 5.200 -0.214 1.00 10.00 H new ATOM 104 N GLY A 8 3.170 7.373 0.364 1.00 10.00 N ATOM 105 CA GLY A 8 3.643 8.704 0.019 1.00 10.00 C ATOM 106 C GLY A 8 4.216 9.416 1.246 1.00 10.00 C ATOM 107 O GLY A 8 3.718 9.245 2.357 1.00 10.00 O ATOM 0 H GLY A 8 3.891 6.652 0.372 1.00 10.00 H new ATOM 0 HA2 GLY A 8 4.407 8.633 -0.755 1.00 10.00 H new ATOM 0 HA3 GLY A 8 2.822 9.290 -0.396 1.00 10.00 H new ATOM 111 N SER A 9 5.255 10.202 1.002 1.00 10.00 N ATOM 112 CA SER A 9 5.901 10.940 2.072 1.00 10.00 C ATOM 113 C SER A 9 5.044 12.145 2.469 1.00 10.00 C ATOM 114 O SER A 9 4.259 12.644 1.664 1.00 10.00 O ATOM 115 CB SER A 9 7.301 11.399 1.659 1.00 10.00 C ATOM 116 OG SER A 9 8.308 10.480 2.072 1.00 10.00 O ATOM 0 H SER A 9 5.665 10.343 0.079 1.00 10.00 H new ATOM 0 HA SER A 9 6.004 10.276 2.930 1.00 10.00 H new ATOM 0 HB2 SER A 9 7.339 11.516 0.576 1.00 10.00 H new ATOM 0 HB3 SER A 9 7.504 12.378 2.093 1.00 10.00 H new ATOM 0 HG SER A 9 8.390 9.764 1.408 1.00 10.00 H new ATOM 122 N ASP A 10 5.223 12.576 3.709 1.00 10.00 N ATOM 123 CA ASP A 10 4.476 13.713 4.221 1.00 10.00 C ATOM 124 C ASP A 10 4.559 14.866 3.219 1.00 10.00 C ATOM 125 O ASP A 10 3.656 15.699 3.150 1.00 10.00 O ATOM 126 CB ASP A 10 5.055 14.198 5.551 1.00 10.00 C ATOM 127 CG ASP A 10 4.263 13.784 6.792 1.00 10.00 C ATOM 128 OD1 ASP A 10 4.502 12.651 7.265 1.00 10.00 O ATOM 129 OD2 ASP A 10 3.436 14.607 7.239 1.00 10.00 O ATOM 0 H ASP A 10 5.874 12.159 4.374 1.00 10.00 H new ATOM 0 HA ASP A 10 3.443 13.398 4.371 1.00 10.00 H new ATOM 0 HB2 ASP A 10 6.073 13.820 5.646 1.00 10.00 H new ATOM 0 HB3 ASP A 10 5.120 15.286 5.526 1.00 10.00 H new ATOM 134 N SER A 11 5.650 14.878 2.468 1.00 10.00 N ATOM 135 CA SER A 11 5.864 15.916 1.474 1.00 10.00 C ATOM 136 C SER A 11 4.637 16.028 0.565 1.00 10.00 C ATOM 137 O SER A 11 3.670 16.707 0.904 1.00 10.00 O ATOM 138 CB SER A 11 7.117 15.633 0.643 1.00 10.00 C ATOM 139 OG SER A 11 8.288 16.183 1.240 1.00 10.00 O ATOM 0 H SER A 11 6.396 14.185 2.528 1.00 10.00 H new ATOM 0 HA SER A 11 6.013 16.863 1.993 1.00 10.00 H new ATOM 0 HB2 SER A 11 7.240 14.556 0.528 1.00 10.00 H new ATOM 0 HB3 SER A 11 6.990 16.048 -0.357 1.00 10.00 H new ATOM 0 HG SER A 11 9.067 15.980 0.681 1.00 10.00 H new ATOM 145 N GLY A 12 4.720 15.353 -0.573 1.00 10.00 N ATOM 146 CA GLY A 12 3.629 15.369 -1.532 1.00 10.00 C ATOM 147 C GLY A 12 2.974 13.991 -1.641 1.00 10.00 C ATOM 148 O GLY A 12 1.835 13.875 -2.088 1.00 10.00 O ATOM 0 H GLY A 12 5.525 14.792 -0.852 1.00 10.00 H new ATOM 0 HA2 GLY A 12 2.885 16.106 -1.230 1.00 10.00 H new ATOM 0 HA3 GLY A 12 4.003 15.676 -2.509 1.00 10.00 H new ATOM 152 N ALA A 13 3.723 12.982 -1.223 1.00 10.00 N ATOM 153 CA ALA A 13 3.229 11.616 -1.267 1.00 10.00 C ATOM 154 C ALA A 13 3.219 11.128 -2.718 1.00 10.00 C ATOM 155 O ALA A 13 2.195 11.211 -3.396 1.00 10.00 O ATOM 156 CB ALA A 13 1.843 11.552 -0.621 1.00 10.00 C ATOM 0 H ALA A 13 4.668 13.082 -0.852 1.00 10.00 H new ATOM 0 HA ALA A 13 3.883 10.953 -0.700 1.00 10.00 H new ATOM 0 HB1 ALA A 13 1.473 10.527 -0.654 1.00 10.00 H new ATOM 0 HB2 ALA A 13 1.910 11.880 0.416 1.00 10.00 H new ATOM 0 HB3 ALA A 13 1.158 12.203 -1.164 1.00 10.00 H new ATOM 162 N LEU A 14 4.367 10.633 -3.151 1.00 10.00 N ATOM 163 CA LEU A 14 4.504 10.134 -4.509 1.00 10.00 C ATOM 164 C LEU A 14 5.032 8.698 -4.468 1.00 10.00 C ATOM 165 O LEU A 14 4.388 7.781 -4.974 1.00 10.00 O ATOM 166 CB LEU A 14 5.363 11.082 -5.346 1.00 10.00 C ATOM 167 CG LEU A 14 5.047 11.132 -6.841 1.00 10.00 C ATOM 168 CD1 LEU A 14 3.638 11.676 -7.085 1.00 10.00 C ATOM 169 CD2 LEU A 14 6.108 11.930 -7.600 1.00 10.00 C ATOM 0 H LEU A 14 5.213 10.566 -2.585 1.00 10.00 H new ATOM 0 HA LEU A 14 3.533 10.104 -5.003 1.00 10.00 H new ATOM 0 HB2 LEU A 14 5.260 12.088 -4.940 1.00 10.00 H new ATOM 0 HB3 LEU A 14 6.408 10.795 -5.225 1.00 10.00 H new ATOM 0 HG LEU A 14 5.072 10.114 -7.229 1.00 10.00 H new ATOM 0 HD11 LEU A 14 3.438 11.701 -8.156 1.00 10.00 H new ATOM 0 HD12 LEU A 14 2.909 11.031 -6.595 1.00 10.00 H new ATOM 0 HD13 LEU A 14 3.562 12.684 -6.678 1.00 10.00 H new ATOM 0 HD21 LEU A 14 5.859 11.950 -8.661 1.00 10.00 H new ATOM 0 HD22 LEU A 14 6.140 12.950 -7.216 1.00 10.00 H new ATOM 0 HD23 LEU A 14 7.082 11.460 -7.465 1.00 10.00 H new ATOM 181 N VAL A 15 6.201 8.549 -3.863 1.00 10.00 N ATOM 182 CA VAL A 15 6.824 7.240 -3.750 1.00 10.00 C ATOM 183 C VAL A 15 6.399 6.591 -2.432 1.00 10.00 C ATOM 184 O VAL A 15 6.030 7.283 -1.484 1.00 10.00 O ATOM 185 CB VAL A 15 8.343 7.371 -3.890 1.00 10.00 C ATOM 186 CG1 VAL A 15 8.708 8.289 -5.057 1.00 10.00 C ATOM 187 CG2 VAL A 15 8.974 7.862 -2.586 1.00 10.00 C ATOM 0 H VAL A 15 6.734 9.312 -3.446 1.00 10.00 H new ATOM 0 HA VAL A 15 6.491 6.586 -4.556 1.00 10.00 H new ATOM 0 HB VAL A 15 8.747 6.381 -4.104 1.00 10.00 H new ATOM 0 HG11 VAL A 15 9.793 8.365 -5.135 1.00 10.00 H new ATOM 0 HG12 VAL A 15 8.306 7.878 -5.983 1.00 10.00 H new ATOM 0 HG13 VAL A 15 8.286 9.279 -4.887 1.00 10.00 H new ATOM 0 HG21 VAL A 15 10.053 7.946 -2.713 1.00 10.00 H new ATOM 0 HG22 VAL A 15 8.562 8.837 -2.327 1.00 10.00 H new ATOM 0 HG23 VAL A 15 8.757 7.153 -1.787 1.00 10.00 H new ATOM 197 N PHE A 16 6.465 5.267 -2.414 1.00 10.00 N ATOM 198 CA PHE A 16 6.092 4.515 -1.227 1.00 10.00 C ATOM 199 C PHE A 16 7.312 4.239 -0.348 1.00 10.00 C ATOM 200 O PHE A 16 8.263 3.590 -0.783 1.00 10.00 O ATOM 201 CB PHE A 16 5.511 3.183 -1.707 1.00 10.00 C ATOM 202 CG PHE A 16 4.204 3.321 -2.491 1.00 10.00 C ATOM 203 CD1 PHE A 16 4.211 3.872 -3.734 1.00 10.00 C ATOM 204 CD2 PHE A 16 3.035 2.890 -1.944 1.00 10.00 C ATOM 205 CE1 PHE A 16 2.998 3.999 -4.461 1.00 10.00 C ATOM 206 CE2 PHE A 16 1.822 3.016 -2.673 1.00 10.00 C ATOM 207 CZ PHE A 16 1.830 3.568 -3.915 1.00 10.00 C ATOM 0 H PHE A 16 6.771 4.696 -3.202 1.00 10.00 H new ATOM 0 HA PHE A 16 5.374 5.083 -0.636 1.00 10.00 H new ATOM 0 HB2 PHE A 16 6.248 2.682 -2.334 1.00 10.00 H new ATOM 0 HB3 PHE A 16 5.339 2.541 -0.843 1.00 10.00 H new ATOM 0 HD1 PHE A 16 5.139 4.213 -4.168 1.00 10.00 H new ATOM 0 HD2 PHE A 16 3.029 2.453 -0.957 1.00 10.00 H new ATOM 0 HE1 PHE A 16 3.003 4.438 -5.448 1.00 10.00 H new ATOM 0 HE2 PHE A 16 0.894 2.673 -2.240 1.00 10.00 H new ATOM 0 HZ PHE A 16 0.908 3.664 -4.469 1.00 10.00 H new ATOM 217 N GLU A 17 7.245 4.744 0.876 1.00 10.00 N ATOM 218 CA GLU A 17 8.333 4.559 1.822 1.00 10.00 C ATOM 219 C GLU A 17 7.789 4.083 3.170 1.00 10.00 C ATOM 220 O GLU A 17 6.790 4.607 3.661 1.00 10.00 O ATOM 221 CB GLU A 17 9.145 5.846 1.982 1.00 10.00 C ATOM 222 CG GLU A 17 10.116 6.031 0.814 1.00 10.00 C ATOM 223 CD GLU A 17 10.007 7.441 0.228 1.00 10.00 C ATOM 224 OE1 GLU A 17 8.870 7.961 0.211 1.00 10.00 O ATOM 225 OE2 GLU A 17 11.061 7.966 -0.188 1.00 10.00 O ATOM 0 H GLU A 17 6.455 5.281 1.234 1.00 10.00 H new ATOM 0 HA GLU A 17 9.002 3.792 1.431 1.00 10.00 H new ATOM 0 HB2 GLU A 17 8.471 6.701 2.038 1.00 10.00 H new ATOM 0 HB3 GLU A 17 9.700 5.816 2.920 1.00 10.00 H new ATOM 0 HG2 GLU A 17 11.136 5.852 1.153 1.00 10.00 H new ATOM 0 HG3 GLU A 17 9.904 5.294 0.040 1.00 10.00 H new ATOM 232 N PRO A 18 8.489 3.069 3.746 1.00 10.00 N ATOM 233 CA PRO A 18 9.661 2.505 3.097 1.00 10.00 C ATOM 234 C PRO A 18 9.261 1.609 1.923 1.00 10.00 C ATOM 235 O PRO A 18 8.370 0.771 2.053 1.00 10.00 O ATOM 236 CB PRO A 18 10.395 1.753 4.196 1.00 10.00 C ATOM 237 CG PRO A 18 9.375 1.533 5.302 1.00 10.00 C ATOM 238 CD PRO A 18 8.183 2.434 5.024 1.00 10.00 C ATOM 0 HA PRO A 18 10.304 3.266 2.655 1.00 10.00 H new ATOM 0 HB2 PRO A 18 10.783 0.803 3.828 1.00 10.00 H new ATOM 0 HB3 PRO A 18 11.248 2.326 4.559 1.00 10.00 H new ATOM 0 HG2 PRO A 18 9.065 0.489 5.333 1.00 10.00 H new ATOM 0 HG3 PRO A 18 9.810 1.765 6.274 1.00 10.00 H new ATOM 0 HD2 PRO A 18 7.257 1.861 4.970 1.00 10.00 H new ATOM 0 HD3 PRO A 18 8.054 3.175 5.813 1.00 10.00 H new ATOM 246 N SER A 19 9.940 1.816 0.805 1.00 10.00 N ATOM 247 CA SER A 19 9.667 1.036 -0.390 1.00 10.00 C ATOM 248 C SER A 19 9.681 -0.456 -0.057 1.00 10.00 C ATOM 249 O SER A 19 8.722 -1.170 -0.348 1.00 10.00 O ATOM 250 CB SER A 19 10.684 1.344 -1.492 1.00 10.00 C ATOM 251 OG SER A 19 11.975 1.630 -0.962 1.00 10.00 O ATOM 0 H SER A 19 10.678 2.512 0.701 1.00 10.00 H new ATOM 0 HA SER A 19 8.678 1.309 -0.758 1.00 10.00 H new ATOM 0 HB2 SER A 19 10.751 0.494 -2.171 1.00 10.00 H new ATOM 0 HB3 SER A 19 10.336 2.194 -2.079 1.00 10.00 H new ATOM 0 HG SER A 19 12.596 1.819 -1.696 1.00 10.00 H new ATOM 257 N THR A 20 10.778 -0.886 0.549 1.00 10.00 N ATOM 258 CA THR A 20 10.928 -2.280 0.926 1.00 10.00 C ATOM 259 C THR A 20 10.653 -2.463 2.420 1.00 10.00 C ATOM 260 O THR A 20 11.110 -1.669 3.241 1.00 10.00 O ATOM 261 CB THR A 20 12.328 -2.736 0.505 1.00 10.00 C ATOM 262 OG1 THR A 20 12.632 -1.920 -0.624 1.00 10.00 O ATOM 263 CG2 THR A 20 12.337 -4.160 -0.050 1.00 10.00 C ATOM 0 H THR A 20 11.572 -0.292 0.788 1.00 10.00 H new ATOM 0 HA THR A 20 10.198 -2.908 0.415 1.00 10.00 H new ATOM 0 HB THR A 20 13.003 -2.676 1.359 1.00 10.00 H new ATOM 0 HG1 THR A 20 13.524 -2.147 -0.961 1.00 10.00 H new ATOM 0 HG21 THR A 20 13.353 -4.434 -0.333 1.00 10.00 H new ATOM 0 HG22 THR A 20 11.975 -4.850 0.712 1.00 10.00 H new ATOM 0 HG23 THR A 20 11.690 -4.213 -0.925 1.00 10.00 H new ATOM 271 N VAL A 21 9.908 -3.513 2.729 1.00 10.00 N ATOM 272 CA VAL A 21 9.567 -3.810 4.109 1.00 10.00 C ATOM 273 C VAL A 21 9.519 -5.327 4.304 1.00 10.00 C ATOM 274 O VAL A 21 9.003 -6.049 3.452 1.00 10.00 O ATOM 275 CB VAL A 21 8.254 -3.118 4.484 1.00 10.00 C ATOM 276 CG1 VAL A 21 8.392 -1.597 4.387 1.00 10.00 C ATOM 277 CG2 VAL A 21 7.101 -3.621 3.616 1.00 10.00 C ATOM 0 H VAL A 21 9.530 -4.170 2.046 1.00 10.00 H new ATOM 0 HA VAL A 21 10.330 -3.420 4.783 1.00 10.00 H new ATOM 0 HB VAL A 21 8.025 -3.369 5.520 1.00 10.00 H new ATOM 0 HG11 VAL A 21 7.446 -1.128 4.658 1.00 10.00 H new ATOM 0 HG12 VAL A 21 9.173 -1.258 5.067 1.00 10.00 H new ATOM 0 HG13 VAL A 21 8.655 -1.320 3.366 1.00 10.00 H new ATOM 0 HG21 VAL A 21 6.181 -3.113 3.904 1.00 10.00 H new ATOM 0 HG22 VAL A 21 7.317 -3.414 2.568 1.00 10.00 H new ATOM 0 HG23 VAL A 21 6.982 -4.695 3.757 1.00 10.00 H new ATOM 287 N THR A 22 10.064 -5.765 5.428 1.00 10.00 N ATOM 288 CA THR A 22 10.089 -7.182 5.746 1.00 10.00 C ATOM 289 C THR A 22 8.913 -7.547 6.655 1.00 10.00 C ATOM 290 O THR A 22 8.753 -6.973 7.730 1.00 10.00 O ATOM 291 CB THR A 22 11.453 -7.506 6.360 1.00 10.00 C ATOM 292 OG1 THR A 22 11.945 -6.242 6.795 1.00 10.00 O ATOM 293 CG2 THR A 22 12.472 -7.962 5.314 1.00 10.00 C ATOM 0 H THR A 22 10.492 -5.163 6.131 1.00 10.00 H new ATOM 0 HA THR A 22 9.967 -7.789 4.849 1.00 10.00 H new ATOM 0 HB THR A 22 11.336 -8.283 7.116 1.00 10.00 H new ATOM 0 HG1 THR A 22 11.428 -5.939 7.570 1.00 10.00 H new ATOM 0 HG21 THR A 22 13.422 -8.179 5.802 1.00 10.00 H new ATOM 0 HG22 THR A 22 12.106 -8.860 4.817 1.00 10.00 H new ATOM 0 HG23 THR A 22 12.615 -7.172 4.577 1.00 10.00 H new ATOM 301 N ILE A 23 8.119 -8.500 6.187 1.00 10.00 N ATOM 302 CA ILE A 23 6.962 -8.948 6.943 1.00 10.00 C ATOM 303 C ILE A 23 7.049 -10.462 7.151 1.00 10.00 C ATOM 304 O ILE A 23 7.793 -11.146 6.450 1.00 10.00 O ATOM 305 CB ILE A 23 5.670 -8.494 6.263 1.00 10.00 C ATOM 306 CG1 ILE A 23 4.487 -9.362 6.698 1.00 10.00 C ATOM 307 CG2 ILE A 23 5.830 -8.463 4.743 1.00 10.00 C ATOM 308 CD1 ILE A 23 3.200 -8.930 5.994 1.00 10.00 C ATOM 0 H ILE A 23 8.255 -8.974 5.294 1.00 10.00 H new ATOM 0 HA ILE A 23 6.952 -8.490 7.932 1.00 10.00 H new ATOM 0 HB ILE A 23 5.457 -7.474 6.584 1.00 10.00 H new ATOM 0 HG12 ILE A 23 4.696 -10.407 6.471 1.00 10.00 H new ATOM 0 HG13 ILE A 23 4.357 -9.290 7.778 1.00 10.00 H new ATOM 0 HG21 ILE A 23 4.896 -8.137 4.285 1.00 10.00 H new ATOM 0 HG22 ILE A 23 6.627 -7.769 4.475 1.00 10.00 H new ATOM 0 HG23 ILE A 23 6.081 -9.461 4.383 1.00 10.00 H new ATOM 0 HD11 ILE A 23 2.376 -9.564 6.322 1.00 10.00 H new ATOM 0 HD12 ILE A 23 2.980 -7.892 6.242 1.00 10.00 H new ATOM 0 HD13 ILE A 23 3.325 -9.027 4.916 1.00 10.00 H new ATOM 320 N LYS A 24 6.278 -10.940 8.116 1.00 10.00 N ATOM 321 CA LYS A 24 6.259 -12.360 8.425 1.00 10.00 C ATOM 322 C LYS A 24 5.324 -13.076 7.447 1.00 10.00 C ATOM 323 O LYS A 24 4.464 -12.448 6.832 1.00 10.00 O ATOM 324 CB LYS A 24 5.899 -12.584 9.894 1.00 10.00 C ATOM 325 CG LYS A 24 7.153 -12.587 10.771 1.00 10.00 C ATOM 326 CD LYS A 24 7.619 -14.017 11.056 1.00 10.00 C ATOM 327 CE LYS A 24 8.353 -14.097 12.396 1.00 10.00 C ATOM 328 NZ LYS A 24 9.568 -14.933 12.271 1.00 10.00 N ATOM 0 H LYS A 24 5.662 -10.369 8.695 1.00 10.00 H new ATOM 0 HA LYS A 24 7.251 -12.792 8.295 1.00 10.00 H new ATOM 0 HB2 LYS A 24 5.218 -11.801 10.229 1.00 10.00 H new ATOM 0 HB3 LYS A 24 5.372 -13.532 10.003 1.00 10.00 H new ATOM 0 HG2 LYS A 24 7.950 -12.033 10.275 1.00 10.00 H new ATOM 0 HG3 LYS A 24 6.946 -12.074 11.710 1.00 10.00 H new ATOM 0 HD2 LYS A 24 6.760 -14.688 11.067 1.00 10.00 H new ATOM 0 HD3 LYS A 24 8.277 -14.355 10.256 1.00 10.00 H new ATOM 0 HE2 LYS A 24 8.626 -13.095 12.728 1.00 10.00 H new ATOM 0 HE3 LYS A 24 7.692 -14.516 13.155 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 10.055 -14.977 13.189 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 9.300 -15.893 11.975 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.204 -14.517 11.561 1.00 10.00 H new ATOM 342 N ALA A 25 5.526 -14.380 7.334 1.00 10.00 N ATOM 343 CA ALA A 25 4.712 -15.189 6.443 1.00 10.00 C ATOM 344 C ALA A 25 3.401 -15.551 7.143 1.00 10.00 C ATOM 345 O ALA A 25 3.156 -16.718 7.446 1.00 10.00 O ATOM 346 CB ALA A 25 5.503 -16.426 6.011 1.00 10.00 C ATOM 0 H ALA A 25 6.242 -14.897 7.845 1.00 10.00 H new ATOM 0 HA ALA A 25 4.460 -14.631 5.541 1.00 10.00 H new ATOM 0 HB1 ALA A 25 4.893 -17.033 5.343 1.00 10.00 H new ATOM 0 HB2 ALA A 25 6.410 -16.115 5.492 1.00 10.00 H new ATOM 0 HB3 ALA A 25 5.771 -17.012 6.890 1.00 10.00 H new ATOM 352 N GLY A 26 2.592 -14.530 7.381 1.00 10.00 N ATOM 353 CA GLY A 26 1.311 -14.725 8.041 1.00 10.00 C ATOM 354 C GLY A 26 0.655 -13.384 8.372 1.00 10.00 C ATOM 355 O GLY A 26 -0.570 -13.273 8.374 1.00 10.00 O ATOM 0 H GLY A 26 2.798 -13.563 7.129 1.00 10.00 H new ATOM 0 HA2 GLY A 26 0.651 -15.308 7.398 1.00 10.00 H new ATOM 0 HA3 GLY A 26 1.453 -15.300 8.956 1.00 10.00 H new ATOM 359 N GLU A 27 1.499 -12.400 8.643 1.00 10.00 N ATOM 360 CA GLU A 27 1.016 -11.070 8.976 1.00 10.00 C ATOM 361 C GLU A 27 0.490 -10.368 7.723 1.00 10.00 C ATOM 362 O GLU A 27 0.678 -10.853 6.609 1.00 10.00 O ATOM 363 CB GLU A 27 2.112 -10.241 9.650 1.00 10.00 C ATOM 364 CG GLU A 27 2.794 -11.037 10.765 1.00 10.00 C ATOM 365 CD GLU A 27 3.886 -10.207 11.444 1.00 10.00 C ATOM 366 OE1 GLU A 27 4.646 -9.552 10.697 1.00 10.00 O ATOM 367 OE2 GLU A 27 3.935 -10.246 12.691 1.00 10.00 O ATOM 0 H GLU A 27 2.514 -12.496 8.639 1.00 10.00 H new ATOM 0 HA GLU A 27 0.194 -11.170 9.685 1.00 10.00 H new ATOM 0 HB2 GLU A 27 2.852 -9.939 8.909 1.00 10.00 H new ATOM 0 HB3 GLU A 27 1.681 -9.328 10.061 1.00 10.00 H new ATOM 0 HG2 GLU A 27 2.053 -11.343 11.504 1.00 10.00 H new ATOM 0 HG3 GLU A 27 3.228 -11.948 10.353 1.00 10.00 H new ATOM 374 N GLU A 28 -0.159 -9.235 7.948 1.00 10.00 N ATOM 375 CA GLU A 28 -0.715 -8.460 6.850 1.00 10.00 C ATOM 376 C GLU A 28 -0.017 -7.102 6.754 1.00 10.00 C ATOM 377 O GLU A 28 0.806 -6.761 7.601 1.00 10.00 O ATOM 378 CB GLU A 28 -2.227 -8.291 7.009 1.00 10.00 C ATOM 379 CG GLU A 28 -2.811 -9.387 7.903 1.00 10.00 C ATOM 380 CD GLU A 28 -4.317 -9.196 8.091 1.00 10.00 C ATOM 381 OE1 GLU A 28 -4.978 -8.870 7.080 1.00 10.00 O ATOM 382 OE2 GLU A 28 -4.774 -9.382 9.238 1.00 10.00 O ATOM 0 H GLU A 28 -0.313 -8.835 8.874 1.00 10.00 H new ATOM 0 HA GLU A 28 -0.540 -9.003 5.921 1.00 10.00 H new ATOM 0 HB2 GLU A 28 -2.444 -7.313 7.438 1.00 10.00 H new ATOM 0 HB3 GLU A 28 -2.705 -8.323 6.030 1.00 10.00 H new ATOM 0 HG2 GLU A 28 -2.617 -10.364 7.460 1.00 10.00 H new ATOM 0 HG3 GLU A 28 -2.315 -9.373 8.873 1.00 10.00 H new ATOM 389 N VAL A 29 -0.372 -6.362 5.713 1.00 10.00 N ATOM 390 CA VAL A 29 0.208 -5.049 5.494 1.00 10.00 C ATOM 391 C VAL A 29 -0.908 -4.005 5.442 1.00 10.00 C ATOM 392 O VAL A 29 -1.958 -4.241 4.846 1.00 10.00 O ATOM 393 CB VAL A 29 1.073 -5.063 4.233 1.00 10.00 C ATOM 394 CG1 VAL A 29 1.198 -3.658 3.638 1.00 10.00 C ATOM 395 CG2 VAL A 29 2.453 -5.661 4.520 1.00 10.00 C ATOM 0 H VAL A 29 -1.055 -6.648 5.012 1.00 10.00 H new ATOM 0 HA VAL A 29 0.866 -4.780 6.320 1.00 10.00 H new ATOM 0 HB VAL A 29 0.580 -5.697 3.496 1.00 10.00 H new ATOM 0 HG11 VAL A 29 1.818 -3.696 2.742 1.00 10.00 H new ATOM 0 HG12 VAL A 29 0.208 -3.283 3.378 1.00 10.00 H new ATOM 0 HG13 VAL A 29 1.657 -2.993 4.369 1.00 10.00 H new ATOM 0 HG21 VAL A 29 3.048 -5.659 3.606 1.00 10.00 H new ATOM 0 HG22 VAL A 29 2.956 -5.066 5.282 1.00 10.00 H new ATOM 0 HG23 VAL A 29 2.339 -6.685 4.876 1.00 10.00 H new ATOM 405 N LYS A 30 -0.644 -2.870 6.074 1.00 10.00 N ATOM 406 CA LYS A 30 -1.613 -1.788 6.107 1.00 10.00 C ATOM 407 C LYS A 30 -1.063 -0.593 5.328 1.00 10.00 C ATOM 408 O LYS A 30 -0.051 -0.008 5.713 1.00 10.00 O ATOM 409 CB LYS A 30 -1.998 -1.458 7.550 1.00 10.00 C ATOM 410 CG LYS A 30 -3.463 -1.020 7.640 1.00 10.00 C ATOM 411 CD LYS A 30 -4.142 -1.632 8.868 1.00 10.00 C ATOM 412 CE LYS A 30 -3.759 -0.874 10.140 1.00 10.00 C ATOM 413 NZ LYS A 30 -4.708 -1.181 11.233 1.00 10.00 N ATOM 0 H LYS A 30 0.228 -2.677 6.567 1.00 10.00 H new ATOM 0 HA LYS A 30 -2.538 -2.090 5.616 1.00 10.00 H new ATOM 0 HB2 LYS A 30 -1.836 -2.331 8.182 1.00 10.00 H new ATOM 0 HB3 LYS A 30 -1.354 -0.665 7.930 1.00 10.00 H new ATOM 0 HG2 LYS A 30 -3.519 0.067 7.693 1.00 10.00 H new ATOM 0 HG3 LYS A 30 -3.993 -1.323 6.737 1.00 10.00 H new ATOM 0 HD2 LYS A 30 -5.224 -1.610 8.739 1.00 10.00 H new ATOM 0 HD3 LYS A 30 -3.854 -2.679 8.963 1.00 10.00 H new ATOM 0 HE2 LYS A 30 -2.748 -1.146 10.442 1.00 10.00 H new ATOM 0 HE3 LYS A 30 -3.756 0.198 9.944 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 -4.433 -0.658 12.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 -5.668 -0.899 10.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 -4.691 -2.202 11.431 1.00 10.00 H new ATOM 427 N TRP A 31 -1.754 -0.262 4.246 1.00 10.00 N ATOM 428 CA TRP A 31 -1.347 0.853 3.410 1.00 10.00 C ATOM 429 C TRP A 31 -2.222 2.056 3.768 1.00 10.00 C ATOM 430 O TRP A 31 -3.360 2.157 3.312 1.00 10.00 O ATOM 431 CB TRP A 31 -1.417 0.483 1.927 1.00 10.00 C ATOM 432 CG TRP A 31 -0.216 -0.324 1.431 1.00 10.00 C ATOM 433 CD1 TRP A 31 0.990 0.134 1.063 1.00 10.00 C ATOM 434 CD2 TRP A 31 -0.151 -1.754 1.259 1.00 10.00 C ATOM 435 NE1 TRP A 31 1.822 -0.894 0.668 1.00 10.00 N ATOM 436 CE2 TRP A 31 1.107 -2.079 0.792 1.00 10.00 C ATOM 437 CE3 TRP A 31 -1.124 -2.744 1.491 1.00 10.00 C ATOM 438 CZ2 TRP A 31 1.508 -3.393 0.517 1.00 10.00 C ATOM 439 CZ3 TRP A 31 -0.707 -4.050 1.212 1.00 10.00 C ATOM 440 CH2 TRP A 31 0.555 -4.394 0.742 1.00 10.00 C ATOM 0 H TRP A 31 -2.593 -0.748 3.930 1.00 10.00 H new ATOM 0 HA TRP A 31 -0.305 1.113 3.595 1.00 10.00 H new ATOM 0 HB2 TRP A 31 -2.326 -0.091 1.749 1.00 10.00 H new ATOM 0 HB3 TRP A 31 -1.496 1.397 1.338 1.00 10.00 H new ATOM 0 HD1 TRP A 31 1.274 1.176 1.074 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.785 -0.801 0.344 1.00 10.00 H new ATOM 0 HE3 TRP A 31 -2.114 -2.514 1.856 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.498 -3.621 0.151 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 -1.417 -4.848 1.373 1.00 10.00 H new ATOM 0 HH2 TRP A 31 0.799 -5.429 0.551 1.00 10.00 H new ATOM 451 N VAL A 32 -1.658 2.938 4.580 1.00 10.00 N ATOM 452 CA VAL A 32 -2.373 4.130 5.004 1.00 10.00 C ATOM 453 C VAL A 32 -1.997 5.297 4.089 1.00 10.00 C ATOM 454 O VAL A 32 -0.816 5.559 3.865 1.00 10.00 O ATOM 455 CB VAL A 32 -2.090 4.413 6.481 1.00 10.00 C ATOM 456 CG1 VAL A 32 -2.930 5.587 6.985 1.00 10.00 C ATOM 457 CG2 VAL A 32 -2.326 3.163 7.332 1.00 10.00 C ATOM 0 H VAL A 32 -0.714 2.851 4.956 1.00 10.00 H new ATOM 0 HA VAL A 32 -3.449 3.981 4.916 1.00 10.00 H new ATOM 0 HB VAL A 32 -1.040 4.689 6.575 1.00 10.00 H new ATOM 0 HG11 VAL A 32 -2.710 5.767 8.037 1.00 10.00 H new ATOM 0 HG12 VAL A 32 -2.692 6.480 6.407 1.00 10.00 H new ATOM 0 HG13 VAL A 32 -3.988 5.353 6.871 1.00 10.00 H new ATOM 0 HG21 VAL A 32 -2.118 3.390 8.378 1.00 10.00 H new ATOM 0 HG22 VAL A 32 -3.363 2.843 7.229 1.00 10.00 H new ATOM 0 HG23 VAL A 32 -1.665 2.364 6.996 1.00 10.00 H new ATOM 467 N ASN A 33 -3.023 5.967 3.585 1.00 10.00 N ATOM 468 CA ASN A 33 -2.815 7.100 2.699 1.00 10.00 C ATOM 469 C ASN A 33 -2.675 8.375 3.535 1.00 10.00 C ATOM 470 O ASN A 33 -3.507 8.649 4.398 1.00 10.00 O ATOM 471 CB ASN A 33 -4.002 7.283 1.752 1.00 10.00 C ATOM 472 CG ASN A 33 -3.692 8.332 0.681 1.00 10.00 C ATOM 473 OD1 ASN A 33 -2.579 8.813 0.551 1.00 10.00 O ATOM 474 ND2 ASN A 33 -4.736 8.657 -0.076 1.00 10.00 N ATOM 0 H ASN A 33 -4.001 5.747 3.773 1.00 10.00 H new ATOM 0 HA ASN A 33 -1.914 6.912 2.115 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.242 6.332 1.276 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.882 7.587 2.320 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.632 9.348 -0.819 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -5.641 8.216 0.087 1.00 10.00 H new ATOM 481 N ASN A 34 -1.618 9.119 3.247 1.00 10.00 N ATOM 482 CA ASN A 34 -1.359 10.359 3.959 1.00 10.00 C ATOM 483 C ASN A 34 -1.898 11.535 3.142 1.00 10.00 C ATOM 484 O ASN A 34 -2.610 12.387 3.670 1.00 10.00 O ATOM 485 CB ASN A 34 0.142 10.574 4.164 1.00 10.00 C ATOM 486 CG ASN A 34 0.892 10.510 2.832 1.00 10.00 C ATOM 487 OD1 ASN A 34 0.409 9.981 1.843 1.00 10.00 O ATOM 488 ND2 ASN A 34 2.094 11.076 2.859 1.00 10.00 N ATOM 0 H ASN A 34 -0.930 8.887 2.530 1.00 10.00 H new ATOM 0 HA ASN A 34 -1.850 10.298 4.930 1.00 10.00 H new ATOM 0 HB2 ASN A 34 0.313 11.542 4.636 1.00 10.00 H new ATOM 0 HB3 ASN A 34 0.532 9.815 4.842 1.00 10.00 H new ATOM 0 HD21 ASN A 34 2.672 11.085 2.019 1.00 10.00 H new ATOM 0 HD22 ASN A 34 2.438 11.501 3.720 1.00 10.00 H new ATOM 495 N LYS A 35 -1.537 11.543 1.868 1.00 10.00 N ATOM 496 CA LYS A 35 -1.976 12.600 0.972 1.00 10.00 C ATOM 497 C LYS A 35 -1.802 12.140 -0.476 1.00 10.00 C ATOM 498 O LYS A 35 -1.423 10.998 -0.727 1.00 10.00 O ATOM 499 CB LYS A 35 -1.250 13.908 1.293 1.00 10.00 C ATOM 500 CG LYS A 35 -2.168 14.876 2.042 1.00 10.00 C ATOM 501 CD LYS A 35 -3.453 15.134 1.252 1.00 10.00 C ATOM 502 CE LYS A 35 -4.689 14.802 2.091 1.00 10.00 C ATOM 503 NZ LYS A 35 -5.925 15.159 1.358 1.00 10.00 N ATOM 0 H LYS A 35 -0.945 10.834 1.434 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.037 12.806 1.116 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.367 13.699 1.896 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.903 14.371 0.369 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.415 14.465 3.021 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.647 15.818 2.214 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -3.490 16.178 0.942 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -3.453 14.531 0.344 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -4.697 13.739 2.333 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -4.650 15.344 3.036 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -6.754 14.927 1.942 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 -5.923 16.178 1.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 -5.968 14.623 0.468 1.00 10.00 H new ATOM 517 N LEU A 36 -2.088 13.054 -1.392 1.00 10.00 N ATOM 518 CA LEU A 36 -1.968 12.757 -2.810 1.00 10.00 C ATOM 519 C LEU A 36 -2.985 11.678 -3.187 1.00 10.00 C ATOM 520 O LEU A 36 -2.611 10.542 -3.475 1.00 10.00 O ATOM 521 CB LEU A 36 -0.524 12.392 -3.160 1.00 10.00 C ATOM 522 CG LEU A 36 0.096 13.157 -4.331 1.00 10.00 C ATOM 523 CD1 LEU A 36 -0.706 12.937 -5.615 1.00 10.00 C ATOM 524 CD2 LEU A 36 0.247 14.641 -3.996 1.00 10.00 C ATOM 0 H LEU A 36 -2.403 14.001 -1.180 1.00 10.00 H new ATOM 0 HA LEU A 36 -2.202 13.639 -3.406 1.00 10.00 H new ATOM 0 HB2 LEU A 36 0.095 12.554 -2.278 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -0.484 11.326 -3.386 1.00 10.00 H new ATOM 0 HG LEU A 36 1.097 12.763 -4.506 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.244 13.492 -6.432 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.718 11.875 -5.859 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.728 13.288 -5.470 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.690 15.162 -4.845 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -0.733 15.067 -3.780 1.00 10.00 H new ATOM 0 HD23 LEU A 36 0.892 14.753 -3.124 1.00 10.00 H new ATOM 536 N SER A 37 -4.250 12.071 -3.172 1.00 10.00 N ATOM 537 CA SER A 37 -5.323 11.151 -3.509 1.00 10.00 C ATOM 538 C SER A 37 -5.772 11.379 -4.955 1.00 10.00 C ATOM 539 O SER A 37 -5.624 12.476 -5.489 1.00 10.00 O ATOM 540 CB SER A 37 -6.508 11.312 -2.554 1.00 10.00 C ATOM 541 OG SER A 37 -6.241 12.266 -1.530 1.00 10.00 O ATOM 0 H SER A 37 -4.556 13.014 -2.932 1.00 10.00 H new ATOM 0 HA SER A 37 -4.946 10.133 -3.408 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.388 11.621 -3.117 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.742 10.349 -2.100 1.00 10.00 H new ATOM 0 HG SER A 37 -7.067 12.460 -1.040 1.00 10.00 H new ATOM 547 N PRO A 38 -6.326 10.295 -5.561 1.00 10.00 N ATOM 548 CA PRO A 38 -6.466 9.031 -4.858 1.00 10.00 C ATOM 549 C PRO A 38 -5.117 8.319 -4.739 1.00 10.00 C ATOM 550 O PRO A 38 -4.072 8.911 -5.005 1.00 10.00 O ATOM 551 CB PRO A 38 -7.486 8.243 -5.661 1.00 10.00 C ATOM 552 CG PRO A 38 -7.534 8.898 -7.031 1.00 10.00 C ATOM 553 CD PRO A 38 -6.835 10.244 -6.930 1.00 10.00 C ATOM 0 HA PRO A 38 -6.803 9.157 -3.829 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -7.196 7.195 -5.739 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -8.465 8.268 -5.181 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -7.043 8.268 -7.773 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -8.566 9.028 -7.356 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -6.027 10.326 -7.657 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -7.525 11.064 -7.127 1.00 10.00 H new ATOM 561 N HIS A 39 -5.184 7.058 -4.340 1.00 10.00 N ATOM 562 CA HIS A 39 -3.981 6.258 -4.185 1.00 10.00 C ATOM 563 C HIS A 39 -4.303 4.787 -4.456 1.00 10.00 C ATOM 564 O HIS A 39 -4.971 4.135 -3.654 1.00 10.00 O ATOM 565 CB HIS A 39 -3.355 6.482 -2.806 1.00 10.00 C ATOM 566 CG HIS A 39 -2.060 7.258 -2.840 1.00 10.00 C ATOM 567 ND1 HIS A 39 -0.931 6.805 -3.502 1.00 10.00 N ATOM 568 CD2 HIS A 39 -1.726 8.460 -2.288 1.00 10.00 C ATOM 569 CE1 HIS A 39 0.032 7.701 -3.348 1.00 10.00 C ATOM 570 NE2 HIS A 39 -0.463 8.726 -2.595 1.00 10.00 N ATOM 0 H HIS A 39 -6.052 6.570 -4.119 1.00 10.00 H new ATOM 0 HA HIS A 39 -3.235 6.571 -4.916 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -4.069 7.013 -2.176 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -3.175 5.514 -2.338 1.00 10.00 H new ATOM 0 HD1 HIS A 39 -0.854 5.930 -4.020 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -2.379 9.088 -1.701 1.00 10.00 H new ATOM 0 HE1 HIS A 39 1.033 7.633 -3.748 1.00 10.00 H new ATOM 578 N ASN A 40 -3.816 4.306 -5.591 1.00 10.00 N ATOM 579 CA ASN A 40 -4.043 2.926 -5.979 1.00 10.00 C ATOM 580 C ASN A 40 -2.791 2.100 -5.673 1.00 10.00 C ATOM 581 O ASN A 40 -1.672 2.584 -5.832 1.00 10.00 O ATOM 582 CB ASN A 40 -4.329 2.814 -7.478 1.00 10.00 C ATOM 583 CG ASN A 40 -5.200 1.593 -7.780 1.00 10.00 C ATOM 584 OD1 ASN A 40 -5.523 0.798 -6.913 1.00 10.00 O ATOM 585 ND2 ASN A 40 -5.559 1.489 -9.057 1.00 10.00 N ATOM 0 H ASN A 40 -3.264 4.850 -6.255 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.903 2.557 -5.420 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -4.830 3.718 -7.825 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -3.390 2.740 -8.027 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -6.140 0.708 -9.361 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -5.253 2.191 -9.731 1.00 10.00 H new ATOM 592 N ILE A 41 -3.024 0.871 -5.239 1.00 10.00 N ATOM 593 CA ILE A 41 -1.928 -0.025 -4.910 1.00 10.00 C ATOM 594 C ILE A 41 -2.170 -1.385 -5.569 1.00 10.00 C ATOM 595 O ILE A 41 -2.310 -2.396 -4.883 1.00 10.00 O ATOM 596 CB ILE A 41 -1.737 -0.103 -3.395 1.00 10.00 C ATOM 597 CG1 ILE A 41 -1.757 1.292 -2.766 1.00 10.00 C ATOM 598 CG2 ILE A 41 -0.460 -0.872 -3.041 1.00 10.00 C ATOM 599 CD1 ILE A 41 -2.164 1.225 -1.294 1.00 10.00 C ATOM 0 H ILE A 41 -3.954 0.474 -5.107 1.00 10.00 H new ATOM 0 HA ILE A 41 -0.989 0.360 -5.308 1.00 10.00 H new ATOM 0 HB ILE A 41 -2.575 -0.658 -2.975 1.00 10.00 H new ATOM 0 HG12 ILE A 41 -0.771 1.748 -2.854 1.00 10.00 H new ATOM 0 HG13 ILE A 41 -2.453 1.930 -3.310 1.00 10.00 H new ATOM 0 HG21 ILE A 41 -0.348 -0.913 -1.958 1.00 10.00 H new ATOM 0 HG22 ILE A 41 -0.524 -1.885 -3.437 1.00 10.00 H new ATOM 0 HG23 ILE A 41 0.402 -0.366 -3.476 1.00 10.00 H new ATOM 0 HD11 ILE A 41 -2.170 2.230 -0.872 1.00 10.00 H new ATOM 0 HD12 ILE A 41 -3.160 0.791 -1.211 1.00 10.00 H new ATOM 0 HD13 ILE A 41 -1.452 0.606 -0.748 1.00 10.00 H new ATOM 611 N VAL A 42 -2.214 -1.365 -6.893 1.00 10.00 N ATOM 612 CA VAL A 42 -2.438 -2.583 -7.654 1.00 10.00 C ATOM 613 C VAL A 42 -1.160 -3.424 -7.648 1.00 10.00 C ATOM 614 O VAL A 42 -0.076 -2.913 -7.927 1.00 10.00 O ATOM 615 CB VAL A 42 -2.922 -2.238 -9.063 1.00 10.00 C ATOM 616 CG1 VAL A 42 -3.575 -3.452 -9.730 1.00 10.00 C ATOM 617 CG2 VAL A 42 -3.880 -1.046 -9.038 1.00 10.00 C ATOM 0 H VAL A 42 -2.098 -0.524 -7.459 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.223 -3.183 -7.194 1.00 10.00 H new ATOM 0 HB VAL A 42 -2.052 -1.956 -9.656 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.911 -3.181 -10.731 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.850 -4.263 -9.798 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.429 -3.777 -9.137 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -4.209 -0.822 -10.053 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.746 -1.288 -8.421 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.369 -0.177 -8.622 1.00 10.00 H new ATOM 627 N PHE A 43 -1.330 -4.699 -7.328 1.00 10.00 N ATOM 628 CA PHE A 43 -0.202 -5.615 -7.285 1.00 10.00 C ATOM 629 C PHE A 43 -0.139 -6.468 -8.552 1.00 10.00 C ATOM 630 O PHE A 43 -1.150 -6.665 -9.224 1.00 10.00 O ATOM 631 CB PHE A 43 -0.419 -6.531 -6.078 1.00 10.00 C ATOM 632 CG PHE A 43 -0.394 -5.804 -4.733 1.00 10.00 C ATOM 633 CD1 PHE A 43 -1.315 -4.842 -4.462 1.00 10.00 C ATOM 634 CD2 PHE A 43 0.550 -6.122 -3.806 1.00 10.00 C ATOM 635 CE1 PHE A 43 -1.291 -4.167 -3.212 1.00 10.00 C ATOM 636 CE2 PHE A 43 0.574 -5.446 -2.557 1.00 10.00 C ATOM 637 CZ PHE A 43 -0.347 -4.484 -2.287 1.00 10.00 C ATOM 0 H PHE A 43 -2.230 -5.119 -7.096 1.00 10.00 H new ATOM 0 HA PHE A 43 0.730 -5.055 -7.211 1.00 10.00 H new ATOM 0 HB2 PHE A 43 -1.378 -7.038 -6.187 1.00 10.00 H new ATOM 0 HB3 PHE A 43 0.351 -7.302 -6.077 1.00 10.00 H new ATOM 0 HD1 PHE A 43 -2.065 -4.591 -5.197 1.00 10.00 H new ATOM 0 HD2 PHE A 43 1.281 -6.888 -4.020 1.00 10.00 H new ATOM 0 HE1 PHE A 43 -2.023 -3.402 -2.997 1.00 10.00 H new ATOM 0 HE2 PHE A 43 1.324 -5.697 -1.822 1.00 10.00 H new ATOM 0 HZ PHE A 43 -0.329 -3.971 -1.337 1.00 10.00 H new ATOM 647 N ALA A 44 1.059 -6.952 -8.843 1.00 10.00 N ATOM 648 CA ALA A 44 1.268 -7.780 -10.018 1.00 10.00 C ATOM 649 C ALA A 44 1.808 -9.145 -9.587 1.00 10.00 C ATOM 650 O ALA A 44 2.402 -9.272 -8.518 1.00 10.00 O ATOM 651 CB ALA A 44 2.208 -7.061 -10.988 1.00 10.00 C ATOM 0 H ALA A 44 1.896 -6.786 -8.284 1.00 10.00 H new ATOM 0 HA ALA A 44 0.326 -7.949 -10.540 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.365 -7.682 -11.870 1.00 10.00 H new ATOM 0 HB2 ALA A 44 1.765 -6.111 -11.287 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.164 -6.877 -10.499 1.00 10.00 H new ATOM 657 N ALA A 45 1.582 -10.132 -10.442 1.00 10.00 N ATOM 658 CA ALA A 45 2.038 -11.482 -10.163 1.00 10.00 C ATOM 659 C ALA A 45 3.510 -11.611 -10.560 1.00 10.00 C ATOM 660 O ALA A 45 3.845 -12.353 -11.483 1.00 10.00 O ATOM 661 CB ALA A 45 1.146 -12.486 -10.897 1.00 10.00 C ATOM 0 H ALA A 45 1.089 -10.023 -11.328 1.00 10.00 H new ATOM 0 HA ALA A 45 1.963 -11.699 -9.097 1.00 10.00 H new ATOM 0 HB1 ALA A 45 1.489 -13.499 -10.687 1.00 10.00 H new ATOM 0 HB2 ALA A 45 0.116 -12.374 -10.558 1.00 10.00 H new ATOM 0 HB3 ALA A 45 1.196 -12.301 -11.970 1.00 10.00 H new ATOM 667 N ASP A 46 4.350 -10.879 -9.844 1.00 10.00 N ATOM 668 CA ASP A 46 5.779 -10.902 -10.110 1.00 10.00 C ATOM 669 C ASP A 46 6.427 -12.024 -9.296 1.00 10.00 C ATOM 670 O ASP A 46 7.063 -11.768 -8.275 1.00 10.00 O ATOM 671 CB ASP A 46 6.437 -9.583 -9.703 1.00 10.00 C ATOM 672 CG ASP A 46 6.284 -8.445 -10.715 1.00 10.00 C ATOM 673 OD1 ASP A 46 5.223 -8.409 -11.373 1.00 10.00 O ATOM 674 OD2 ASP A 46 7.232 -7.636 -10.807 1.00 10.00 O ATOM 0 H ASP A 46 4.069 -10.266 -9.079 1.00 10.00 H new ATOM 0 HA ASP A 46 5.920 -11.060 -11.179 1.00 10.00 H new ATOM 0 HB2 ASP A 46 6.014 -9.262 -8.751 1.00 10.00 H new ATOM 0 HB3 ASP A 46 7.499 -9.761 -9.536 1.00 10.00 H new ATOM 679 N GLY A 47 6.243 -13.244 -9.780 1.00 10.00 N ATOM 680 CA GLY A 47 6.802 -14.406 -9.110 1.00 10.00 C ATOM 681 C GLY A 47 5.742 -15.111 -8.260 1.00 10.00 C ATOM 682 O GLY A 47 5.861 -16.303 -7.977 1.00 10.00 O ATOM 0 H GLY A 47 5.715 -13.453 -10.627 1.00 10.00 H new ATOM 0 HA2 GLY A 47 7.201 -15.100 -9.850 1.00 10.00 H new ATOM 0 HA3 GLY A 47 7.636 -14.100 -8.478 1.00 10.00 H new ATOM 686 N VAL A 48 4.731 -14.346 -7.878 1.00 10.00 N ATOM 687 CA VAL A 48 3.652 -14.884 -7.067 1.00 10.00 C ATOM 688 C VAL A 48 2.546 -15.413 -7.982 1.00 10.00 C ATOM 689 O VAL A 48 2.604 -15.237 -9.198 1.00 10.00 O ATOM 690 CB VAL A 48 3.156 -13.820 -6.085 1.00 10.00 C ATOM 691 CG1 VAL A 48 2.299 -14.448 -4.984 1.00 10.00 C ATOM 692 CG2 VAL A 48 4.326 -13.035 -5.489 1.00 10.00 C ATOM 0 H VAL A 48 4.636 -13.358 -8.115 1.00 10.00 H new ATOM 0 HA VAL A 48 4.007 -15.722 -6.467 1.00 10.00 H new ATOM 0 HB VAL A 48 2.531 -13.119 -6.638 1.00 10.00 H new ATOM 0 HG11 VAL A 48 1.959 -13.671 -4.300 1.00 10.00 H new ATOM 0 HG12 VAL A 48 1.436 -14.940 -5.431 1.00 10.00 H new ATOM 0 HG13 VAL A 48 2.891 -15.181 -4.436 1.00 10.00 H new ATOM 0 HG21 VAL A 48 3.945 -12.286 -4.795 1.00 10.00 H new ATOM 0 HG22 VAL A 48 4.989 -13.718 -4.958 1.00 10.00 H new ATOM 0 HG23 VAL A 48 4.878 -12.541 -6.289 1.00 10.00 H new ATOM 702 N ASP A 49 1.565 -16.053 -7.363 1.00 10.00 N ATOM 703 CA ASP A 49 0.447 -16.609 -8.107 1.00 10.00 C ATOM 704 C ASP A 49 -0.460 -15.473 -8.582 1.00 10.00 C ATOM 705 O ASP A 49 -0.375 -14.353 -8.080 1.00 10.00 O ATOM 706 CB ASP A 49 -0.387 -17.545 -7.229 1.00 10.00 C ATOM 707 CG ASP A 49 0.386 -18.241 -6.107 1.00 10.00 C ATOM 708 OD1 ASP A 49 1.517 -18.693 -6.393 1.00 10.00 O ATOM 709 OD2 ASP A 49 -0.170 -18.302 -4.990 1.00 10.00 O ATOM 0 H ASP A 49 1.521 -16.199 -6.354 1.00 10.00 H new ATOM 0 HA ASP A 49 0.849 -17.169 -8.951 1.00 10.00 H new ATOM 0 HB2 ASP A 49 -1.202 -16.973 -6.787 1.00 10.00 H new ATOM 0 HB3 ASP A 49 -0.840 -18.306 -7.864 1.00 10.00 H new ATOM 714 N ALA A 50 -1.309 -15.800 -9.546 1.00 10.00 N ATOM 715 CA ALA A 50 -2.233 -14.821 -10.095 1.00 10.00 C ATOM 716 C ALA A 50 -3.352 -14.560 -9.085 1.00 10.00 C ATOM 717 O ALA A 50 -3.612 -13.414 -8.722 1.00 10.00 O ATOM 718 CB ALA A 50 -2.763 -15.318 -11.440 1.00 10.00 C ATOM 0 H ALA A 50 -1.376 -16.729 -9.961 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.726 -13.873 -10.276 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -3.456 -14.584 -11.852 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.931 -15.458 -12.130 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -3.281 -16.267 -11.299 1.00 10.00 H new ATOM 724 N ASP A 51 -3.986 -15.643 -8.660 1.00 10.00 N ATOM 725 CA ASP A 51 -5.074 -15.548 -7.701 1.00 10.00 C ATOM 726 C ASP A 51 -4.579 -14.820 -6.449 1.00 10.00 C ATOM 727 O ASP A 51 -5.205 -13.864 -5.995 1.00 10.00 O ATOM 728 CB ASP A 51 -5.560 -16.935 -7.279 1.00 10.00 C ATOM 729 CG ASP A 51 -6.991 -17.273 -7.703 1.00 10.00 C ATOM 730 OD1 ASP A 51 -7.912 -16.892 -6.950 1.00 10.00 O ATOM 731 OD2 ASP A 51 -7.132 -17.906 -8.772 1.00 10.00 O ATOM 0 H ASP A 51 -3.767 -16.592 -8.963 1.00 10.00 H new ATOM 0 HA ASP A 51 -5.894 -15.008 -8.173 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -4.886 -17.683 -7.697 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -5.490 -17.014 -6.194 1.00 10.00 H new ATOM 736 N THR A 52 -3.460 -15.301 -5.927 1.00 10.00 N ATOM 737 CA THR A 52 -2.875 -14.707 -4.736 1.00 10.00 C ATOM 738 C THR A 52 -2.708 -13.198 -4.919 1.00 10.00 C ATOM 739 O THR A 52 -3.167 -12.414 -4.090 1.00 10.00 O ATOM 740 CB THR A 52 -1.560 -15.433 -4.445 1.00 10.00 C ATOM 741 OG1 THR A 52 -1.965 -16.655 -3.835 1.00 10.00 O ATOM 742 CG2 THR A 52 -0.733 -14.735 -3.364 1.00 10.00 C ATOM 0 H THR A 52 -2.943 -16.094 -6.306 1.00 10.00 H new ATOM 0 HA THR A 52 -3.529 -14.827 -3.872 1.00 10.00 H new ATOM 0 HB THR A 52 -0.975 -15.504 -5.362 1.00 10.00 H new ATOM 0 HG1 THR A 52 -1.407 -17.388 -4.169 1.00 10.00 H new ATOM 0 HG21 THR A 52 0.189 -15.291 -3.196 1.00 10.00 H new ATOM 0 HG22 THR A 52 -0.493 -13.722 -3.687 1.00 10.00 H new ATOM 0 HG23 THR A 52 -1.306 -14.694 -2.437 1.00 10.00 H new ATOM 750 N ALA A 53 -2.050 -12.836 -6.011 1.00 10.00 N ATOM 751 CA ALA A 53 -1.817 -11.433 -6.313 1.00 10.00 C ATOM 752 C ALA A 53 -3.160 -10.707 -6.407 1.00 10.00 C ATOM 753 O ALA A 53 -3.214 -9.481 -6.317 1.00 10.00 O ATOM 754 CB ALA A 53 -1.000 -11.318 -7.600 1.00 10.00 C ATOM 0 H ALA A 53 -1.671 -13.489 -6.697 1.00 10.00 H new ATOM 0 HA ALA A 53 -1.241 -10.959 -5.518 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -0.825 -10.266 -7.827 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -0.044 -11.825 -7.471 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -1.548 -11.780 -8.421 1.00 10.00 H new ATOM 760 N ALA A 54 -4.210 -11.493 -6.589 1.00 10.00 N ATOM 761 CA ALA A 54 -5.550 -10.940 -6.696 1.00 10.00 C ATOM 762 C ALA A 54 -6.018 -10.475 -5.316 1.00 10.00 C ATOM 763 O ALA A 54 -6.627 -9.414 -5.186 1.00 10.00 O ATOM 764 CB ALA A 54 -6.486 -11.983 -7.308 1.00 10.00 C ATOM 0 H ALA A 54 -4.161 -12.509 -6.665 1.00 10.00 H new ATOM 0 HA ALA A 54 -5.554 -10.072 -7.355 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -7.491 -11.568 -7.388 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -6.127 -12.257 -8.300 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -6.509 -12.869 -6.673 1.00 10.00 H new ATOM 770 N LYS A 55 -5.715 -11.293 -4.317 1.00 10.00 N ATOM 771 CA LYS A 55 -6.097 -10.979 -2.950 1.00 10.00 C ATOM 772 C LYS A 55 -5.204 -9.855 -2.421 1.00 10.00 C ATOM 773 O LYS A 55 -5.661 -8.998 -1.668 1.00 10.00 O ATOM 774 CB LYS A 55 -6.076 -12.240 -2.085 1.00 10.00 C ATOM 775 CG LYS A 55 -7.444 -12.491 -1.448 1.00 10.00 C ATOM 776 CD LYS A 55 -7.732 -13.990 -1.340 1.00 10.00 C ATOM 777 CE LYS A 55 -7.150 -14.568 -0.049 1.00 10.00 C ATOM 778 NZ LYS A 55 -5.735 -14.953 -0.246 1.00 10.00 N ATOM 0 H LYS A 55 -5.210 -12.172 -4.427 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.123 -10.614 -2.915 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.791 -13.098 -2.694 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -5.321 -12.138 -1.305 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.476 -12.039 -0.457 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -8.220 -12.010 -2.043 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -8.808 -14.160 -1.366 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -7.307 -14.509 -2.199 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -7.225 -13.833 0.752 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -7.730 -15.437 0.261 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -5.535 -15.823 0.287 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.558 -15.118 -1.257 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -5.117 -14.189 0.094 1.00 10.00 H new ATOM 792 N LEU A 56 -3.946 -9.897 -2.836 1.00 10.00 N ATOM 793 CA LEU A 56 -2.986 -8.894 -2.413 1.00 10.00 C ATOM 794 C LEU A 56 -3.093 -7.672 -3.329 1.00 10.00 C ATOM 795 O LEU A 56 -2.420 -6.666 -3.110 1.00 10.00 O ATOM 796 CB LEU A 56 -1.579 -9.491 -2.348 1.00 10.00 C ATOM 797 CG LEU A 56 -1.253 -10.301 -1.092 1.00 10.00 C ATOM 798 CD1 LEU A 56 -1.231 -11.801 -1.396 1.00 10.00 C ATOM 799 CD2 LEU A 56 0.057 -9.826 -0.458 1.00 10.00 C ATOM 0 H LEU A 56 -3.570 -10.610 -3.461 1.00 10.00 H new ATOM 0 HA LEU A 56 -3.211 -8.556 -1.401 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.437 -10.133 -3.217 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.857 -8.679 -2.430 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.045 -10.132 -0.362 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -0.997 -12.353 -0.486 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.208 -12.111 -1.768 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -0.473 -12.008 -2.151 1.00 10.00 H new ATOM 0 HD21 LEU A 56 0.266 -10.418 0.433 1.00 10.00 H new ATOM 0 HD22 LEU A 56 0.871 -9.946 -1.172 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -0.032 -8.775 -0.183 1.00 10.00 H new ATOM 811 N SER A 57 -3.942 -7.801 -4.337 1.00 10.00 N ATOM 812 CA SER A 57 -4.146 -6.722 -5.288 1.00 10.00 C ATOM 813 C SER A 57 -5.216 -5.762 -4.767 1.00 10.00 C ATOM 814 O SER A 57 -6.317 -6.184 -4.414 1.00 10.00 O ATOM 815 CB SER A 57 -4.544 -7.266 -6.662 1.00 10.00 C ATOM 816 OG SER A 57 -5.429 -6.384 -7.348 1.00 10.00 O ATOM 0 H SER A 57 -4.497 -8.638 -4.516 1.00 10.00 H new ATOM 0 HA SER A 57 -3.206 -6.182 -5.400 1.00 10.00 H new ATOM 0 HB2 SER A 57 -3.649 -7.422 -7.264 1.00 10.00 H new ATOM 0 HB3 SER A 57 -5.021 -8.239 -6.543 1.00 10.00 H new ATOM 0 HG SER A 57 -5.659 -6.765 -8.221 1.00 10.00 H new ATOM 822 N HIS A 58 -4.857 -4.486 -4.736 1.00 10.00 N ATOM 823 CA HIS A 58 -5.773 -3.462 -4.263 1.00 10.00 C ATOM 824 C HIS A 58 -6.455 -2.793 -5.458 1.00 10.00 C ATOM 825 O HIS A 58 -5.863 -1.939 -6.117 1.00 10.00 O ATOM 826 CB HIS A 58 -5.050 -2.462 -3.356 1.00 10.00 C ATOM 827 CG HIS A 58 -4.528 -3.063 -2.074 1.00 10.00 C ATOM 828 ND1 HIS A 58 -4.568 -2.395 -0.862 1.00 10.00 N ATOM 829 CD2 HIS A 58 -3.956 -4.277 -1.826 1.00 10.00 C ATOM 830 CE1 HIS A 58 -4.039 -3.180 0.065 1.00 10.00 C ATOM 831 NE2 HIS A 58 -3.660 -4.345 -0.533 1.00 10.00 N ATOM 0 H HIS A 58 -3.944 -4.139 -5.031 1.00 10.00 H new ATOM 0 HA HIS A 58 -6.552 -3.919 -3.653 1.00 10.00 H new ATOM 0 HB2 HIS A 58 -4.217 -2.025 -3.906 1.00 10.00 H new ATOM 0 HB3 HIS A 58 -5.733 -1.648 -3.112 1.00 10.00 H new ATOM 0 HD1 HIS A 58 -4.941 -1.458 -0.709 1.00 10.00 H new ATOM 0 HD2 HIS A 58 -3.775 -5.051 -2.557 1.00 10.00 H new ATOM 0 HE1 HIS A 58 -3.927 -2.939 1.112 1.00 10.00 H new ATOM 839 N LYS A 59 -7.689 -3.206 -5.701 1.00 10.00 N ATOM 840 CA LYS A 59 -8.458 -2.658 -6.806 1.00 10.00 C ATOM 841 C LYS A 59 -9.598 -1.799 -6.251 1.00 10.00 C ATOM 842 O LYS A 59 -10.596 -1.572 -6.934 1.00 10.00 O ATOM 843 CB LYS A 59 -8.929 -3.776 -7.739 1.00 10.00 C ATOM 844 CG LYS A 59 -8.562 -3.468 -9.191 1.00 10.00 C ATOM 845 CD LYS A 59 -9.386 -4.320 -10.158 1.00 10.00 C ATOM 846 CE LYS A 59 -8.702 -4.418 -11.523 1.00 10.00 C ATOM 847 NZ LYS A 59 -7.581 -5.381 -11.472 1.00 10.00 N ATOM 0 H LYS A 59 -8.176 -3.914 -5.152 1.00 10.00 H new ATOM 0 HA LYS A 59 -7.834 -2.006 -7.418 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -8.476 -4.721 -7.438 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -10.009 -3.898 -7.651 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -8.732 -2.411 -9.396 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -7.500 -3.656 -9.349 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -9.522 -5.319 -9.743 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -10.379 -3.886 -10.275 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -9.424 -4.731 -12.277 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -8.333 -3.437 -11.823 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -7.236 -5.564 -12.436 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -6.809 -4.985 -10.898 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -7.908 -6.272 -11.046 1.00 10.00 H new ATOM 861 N GLY A 60 -9.409 -1.346 -5.020 1.00 10.00 N ATOM 862 CA GLY A 60 -10.409 -0.519 -4.368 1.00 10.00 C ATOM 863 C GLY A 60 -10.198 0.960 -4.699 1.00 10.00 C ATOM 864 O GLY A 60 -11.151 1.674 -5.008 1.00 10.00 O ATOM 0 H GLY A 60 -8.579 -1.536 -4.458 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -11.405 -0.828 -4.686 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -10.359 -0.665 -3.289 1.00 10.00 H new ATOM 868 N LEU A 61 -8.941 1.376 -4.626 1.00 10.00 N ATOM 869 CA LEU A 61 -8.592 2.758 -4.914 1.00 10.00 C ATOM 870 C LEU A 61 -9.033 3.645 -3.748 1.00 10.00 C ATOM 871 O LEU A 61 -10.220 3.717 -3.432 1.00 10.00 O ATOM 872 CB LEU A 61 -9.170 3.185 -6.265 1.00 10.00 C ATOM 873 CG LEU A 61 -8.154 3.621 -7.322 1.00 10.00 C ATOM 874 CD1 LEU A 61 -8.659 3.303 -8.731 1.00 10.00 C ATOM 875 CD2 LEU A 61 -7.795 5.099 -7.161 1.00 10.00 C ATOM 0 H LEU A 61 -8.153 0.781 -4.372 1.00 10.00 H new ATOM 0 HA LEU A 61 -7.511 2.867 -5.006 1.00 10.00 H new ATOM 0 HB2 LEU A 61 -9.750 2.355 -6.668 1.00 10.00 H new ATOM 0 HB3 LEU A 61 -9.865 4.008 -6.097 1.00 10.00 H new ATOM 0 HG LEU A 61 -7.238 3.050 -7.172 1.00 10.00 H new ATOM 0 HD11 LEU A 61 -7.918 3.623 -9.464 1.00 10.00 H new ATOM 0 HD12 LEU A 61 -8.823 2.229 -8.825 1.00 10.00 H new ATOM 0 HD13 LEU A 61 -9.596 3.830 -8.909 1.00 10.00 H new ATOM 0 HD21 LEU A 61 -7.071 5.383 -7.925 1.00 10.00 H new ATOM 0 HD22 LEU A 61 -8.694 5.706 -7.270 1.00 10.00 H new ATOM 0 HD23 LEU A 61 -7.364 5.263 -6.174 1.00 10.00 H new ATOM 887 N ALA A 62 -8.054 4.297 -3.139 1.00 10.00 N ATOM 888 CA ALA A 62 -8.325 5.176 -2.015 1.00 10.00 C ATOM 889 C ALA A 62 -8.467 6.613 -2.521 1.00 10.00 C ATOM 890 O ALA A 62 -7.629 7.093 -3.281 1.00 10.00 O ATOM 891 CB ALA A 62 -7.213 5.032 -0.974 1.00 10.00 C ATOM 0 H ALA A 62 -7.071 4.234 -3.403 1.00 10.00 H new ATOM 0 HA ALA A 62 -9.262 4.902 -1.531 1.00 10.00 H new ATOM 0 HB1 ALA A 62 -7.417 5.692 -0.131 1.00 10.00 H new ATOM 0 HB2 ALA A 62 -7.172 4.000 -0.626 1.00 10.00 H new ATOM 0 HB3 ALA A 62 -6.257 5.302 -1.423 1.00 10.00 H new ATOM 897 N PHE A 63 -9.535 7.260 -2.074 1.00 10.00 N ATOM 898 CA PHE A 63 -9.797 8.633 -2.472 1.00 10.00 C ATOM 899 C PHE A 63 -9.454 9.606 -1.342 1.00 10.00 C ATOM 900 O PHE A 63 -8.855 10.654 -1.579 1.00 10.00 O ATOM 901 CB PHE A 63 -11.292 8.732 -2.777 1.00 10.00 C ATOM 902 CG PHE A 63 -11.770 7.771 -3.870 1.00 10.00 C ATOM 903 CD1 PHE A 63 -11.450 8.007 -5.170 1.00 10.00 C ATOM 904 CD2 PHE A 63 -12.512 6.682 -3.538 1.00 10.00 C ATOM 905 CE1 PHE A 63 -11.893 7.116 -6.182 1.00 10.00 C ATOM 906 CE2 PHE A 63 -12.954 5.789 -4.551 1.00 10.00 C ATOM 907 CZ PHE A 63 -12.636 6.026 -5.853 1.00 10.00 C ATOM 0 H PHE A 63 -10.227 6.859 -1.441 1.00 10.00 H new ATOM 0 HA PHE A 63 -9.187 8.893 -3.337 1.00 10.00 H new ATOM 0 HB2 PHE A 63 -11.853 8.534 -1.863 1.00 10.00 H new ATOM 0 HB3 PHE A 63 -11.524 9.753 -3.079 1.00 10.00 H new ATOM 0 HD1 PHE A 63 -10.859 8.872 -5.433 1.00 10.00 H new ATOM 0 HD2 PHE A 63 -12.766 6.495 -2.505 1.00 10.00 H new ATOM 0 HE1 PHE A 63 -11.640 7.304 -7.215 1.00 10.00 H new ATOM 0 HE2 PHE A 63 -13.542 4.922 -4.288 1.00 10.00 H new ATOM 0 HZ PHE A 63 -12.973 5.349 -6.624 1.00 10.00 H new ATOM 917 N ALA A 64 -9.850 9.225 -0.135 1.00 10.00 N ATOM 918 CA ALA A 64 -9.593 10.052 1.032 1.00 10.00 C ATOM 919 C ALA A 64 -8.335 9.547 1.740 1.00 10.00 C ATOM 920 O ALA A 64 -8.108 8.341 1.826 1.00 10.00 O ATOM 921 CB ALA A 64 -10.820 10.040 1.945 1.00 10.00 C ATOM 0 H ALA A 64 -10.346 8.355 0.059 1.00 10.00 H new ATOM 0 HA ALA A 64 -9.414 11.087 0.739 1.00 10.00 H new ATOM 0 HB1 ALA A 64 -10.628 10.660 2.821 1.00 10.00 H new ATOM 0 HB2 ALA A 64 -11.680 10.433 1.403 1.00 10.00 H new ATOM 0 HB3 ALA A 64 -11.027 9.018 2.263 1.00 10.00 H new ATOM 927 N ALA A 65 -7.548 10.495 2.229 1.00 10.00 N ATOM 928 CA ALA A 65 -6.319 10.162 2.927 1.00 10.00 C ATOM 929 C ALA A 65 -6.647 9.752 4.365 1.00 10.00 C ATOM 930 O ALA A 65 -6.139 10.345 5.315 1.00 10.00 O ATOM 931 CB ALA A 65 -5.358 11.351 2.866 1.00 10.00 C ATOM 0 H ALA A 65 -7.739 11.494 2.155 1.00 10.00 H new ATOM 0 HA ALA A 65 -5.824 9.317 2.448 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -4.436 11.101 3.390 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -5.132 11.583 1.825 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -5.820 12.217 3.339 1.00 10.00 H new ATOM 937 N GLY A 66 -7.498 8.742 4.478 1.00 10.00 N ATOM 938 CA GLY A 66 -7.902 8.246 5.783 1.00 10.00 C ATOM 939 C GLY A 66 -8.072 6.727 5.764 1.00 10.00 C ATOM 940 O GLY A 66 -7.648 6.038 6.691 1.00 10.00 O ATOM 0 H GLY A 66 -7.919 8.254 3.687 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -7.156 8.523 6.528 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -8.839 8.717 6.081 1.00 10.00 H new ATOM 944 N GLU A 67 -8.696 6.247 4.697 1.00 10.00 N ATOM 945 CA GLU A 67 -8.928 4.821 4.544 1.00 10.00 C ATOM 946 C GLU A 67 -7.627 4.106 4.175 1.00 10.00 C ATOM 947 O GLU A 67 -6.854 4.603 3.357 1.00 10.00 O ATOM 948 CB GLU A 67 -10.016 4.550 3.503 1.00 10.00 C ATOM 949 CG GLU A 67 -11.403 4.876 4.062 1.00 10.00 C ATOM 950 CD GLU A 67 -12.445 4.931 2.944 1.00 10.00 C ATOM 951 OE1 GLU A 67 -12.251 4.198 1.950 1.00 10.00 O ATOM 952 OE2 GLU A 67 -13.414 5.704 3.107 1.00 10.00 O ATOM 0 H GLU A 67 -9.048 6.821 3.931 1.00 10.00 H new ATOM 0 HA GLU A 67 -9.278 4.427 5.498 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.829 5.149 2.612 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -9.980 3.504 3.197 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -11.690 4.122 4.795 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -11.373 5.833 4.584 1.00 10.00 H new ATOM 959 N SER A 68 -7.424 2.954 4.796 1.00 10.00 N ATOM 960 CA SER A 68 -6.229 2.167 4.542 1.00 10.00 C ATOM 961 C SER A 68 -6.607 0.705 4.298 1.00 10.00 C ATOM 962 O SER A 68 -7.326 0.105 5.095 1.00 10.00 O ATOM 963 CB SER A 68 -5.242 2.273 5.706 1.00 10.00 C ATOM 964 OG SER A 68 -5.360 3.515 6.395 1.00 10.00 O ATOM 0 H SER A 68 -8.067 2.546 5.475 1.00 10.00 H new ATOM 0 HA SER A 68 -5.742 2.563 3.651 1.00 10.00 H new ATOM 0 HB2 SER A 68 -5.415 1.454 6.404 1.00 10.00 H new ATOM 0 HB3 SER A 68 -4.225 2.162 5.330 1.00 10.00 H new ATOM 0 HG SER A 68 -5.436 3.349 7.358 1.00 10.00 H new ATOM 970 N PHE A 69 -6.106 0.174 3.192 1.00 10.00 N ATOM 971 CA PHE A 69 -6.382 -1.206 2.834 1.00 10.00 C ATOM 972 C PHE A 69 -5.538 -2.170 3.671 1.00 10.00 C ATOM 973 O PHE A 69 -4.701 -1.741 4.463 1.00 10.00 O ATOM 974 CB PHE A 69 -6.007 -1.369 1.359 1.00 10.00 C ATOM 975 CG PHE A 69 -6.771 -0.437 0.416 1.00 10.00 C ATOM 976 CD1 PHE A 69 -8.127 -0.505 0.346 1.00 10.00 C ATOM 977 CD2 PHE A 69 -6.094 0.459 -0.349 1.00 10.00 C ATOM 978 CE1 PHE A 69 -8.837 0.360 -0.529 1.00 10.00 C ATOM 979 CE2 PHE A 69 -6.803 1.324 -1.224 1.00 10.00 C ATOM 980 CZ PHE A 69 -8.160 1.257 -1.295 1.00 10.00 C ATOM 0 H PHE A 69 -5.511 0.675 2.532 1.00 10.00 H new ATOM 0 HA PHE A 69 -7.432 -1.434 3.015 1.00 10.00 H new ATOM 0 HB2 PHE A 69 -4.938 -1.189 1.244 1.00 10.00 H new ATOM 0 HB3 PHE A 69 -6.190 -2.401 1.060 1.00 10.00 H new ATOM 0 HD1 PHE A 69 -8.664 -1.216 0.955 1.00 10.00 H new ATOM 0 HD2 PHE A 69 -5.017 0.513 -0.292 1.00 10.00 H new ATOM 0 HE1 PHE A 69 -9.914 0.305 -0.586 1.00 10.00 H new ATOM 0 HE2 PHE A 69 -6.265 2.035 -1.833 1.00 10.00 H new ATOM 0 HZ PHE A 69 -8.699 1.916 -1.959 1.00 10.00 H new ATOM 990 N THR A 70 -5.789 -3.455 3.468 1.00 10.00 N ATOM 991 CA THR A 70 -5.063 -4.483 4.194 1.00 10.00 C ATOM 992 C THR A 70 -4.847 -5.711 3.308 1.00 10.00 C ATOM 993 O THR A 70 -5.707 -6.056 2.498 1.00 10.00 O ATOM 994 CB THR A 70 -5.837 -4.790 5.478 1.00 10.00 C ATOM 995 OG1 THR A 70 -6.187 -3.507 5.988 1.00 10.00 O ATOM 996 CG2 THR A 70 -4.946 -5.393 6.567 1.00 10.00 C ATOM 0 H THR A 70 -6.485 -3.808 2.811 1.00 10.00 H new ATOM 0 HA THR A 70 -4.066 -4.142 4.471 1.00 10.00 H new ATOM 0 HB THR A 70 -6.654 -5.476 5.254 1.00 10.00 H new ATOM 0 HG1 THR A 70 -6.693 -3.613 6.820 1.00 10.00 H new ATOM 0 HG21 THR A 70 -5.543 -5.592 7.457 1.00 10.00 H new ATOM 0 HG22 THR A 70 -4.510 -6.325 6.206 1.00 10.00 H new ATOM 0 HG23 THR A 70 -4.149 -4.692 6.815 1.00 10.00 H new ATOM 1004 N SER A 71 -3.693 -6.336 3.489 1.00 10.00 N ATOM 1005 CA SER A 71 -3.352 -7.519 2.715 1.00 10.00 C ATOM 1006 C SER A 71 -2.536 -8.488 3.572 1.00 10.00 C ATOM 1007 O SER A 71 -1.517 -8.107 4.147 1.00 10.00 O ATOM 1008 CB SER A 71 -2.575 -7.145 1.452 1.00 10.00 C ATOM 1009 OG SER A 71 -1.180 -6.998 1.706 1.00 10.00 O ATOM 0 H SER A 71 -2.982 -6.046 4.160 1.00 10.00 H new ATOM 0 HA SER A 71 -4.278 -8.006 2.409 1.00 10.00 H new ATOM 0 HB2 SER A 71 -2.726 -7.913 0.693 1.00 10.00 H new ATOM 0 HB3 SER A 71 -2.970 -6.213 1.046 1.00 10.00 H new ATOM 0 HG SER A 71 -0.844 -6.205 1.239 1.00 10.00 H new ATOM 1015 N THR A 72 -3.014 -9.722 3.631 1.00 10.00 N ATOM 1016 CA THR A 72 -2.342 -10.749 4.409 1.00 10.00 C ATOM 1017 C THR A 72 -1.208 -11.378 3.595 1.00 10.00 C ATOM 1018 O THR A 72 -1.374 -11.662 2.409 1.00 10.00 O ATOM 1019 CB THR A 72 -3.395 -11.760 4.867 1.00 10.00 C ATOM 1020 OG1 THR A 72 -4.326 -10.980 5.610 1.00 10.00 O ATOM 1021 CG2 THR A 72 -2.843 -12.755 5.890 1.00 10.00 C ATOM 0 H THR A 72 -3.859 -10.034 3.153 1.00 10.00 H new ATOM 0 HA THR A 72 -1.868 -10.328 5.296 1.00 10.00 H new ATOM 0 HB THR A 72 -3.778 -12.302 4.002 1.00 10.00 H new ATOM 0 HG1 THR A 72 -5.044 -11.558 5.943 1.00 10.00 H new ATOM 0 HG21 THR A 72 -3.630 -13.450 6.182 1.00 10.00 H new ATOM 0 HG22 THR A 72 -2.015 -13.309 5.448 1.00 10.00 H new ATOM 0 HG23 THR A 72 -2.491 -12.215 6.769 1.00 10.00 H new ATOM 1029 N PHE A 73 -0.082 -11.577 4.264 1.00 10.00 N ATOM 1030 CA PHE A 73 1.077 -12.167 3.618 1.00 10.00 C ATOM 1031 C PHE A 73 1.348 -13.574 4.154 1.00 10.00 C ATOM 1032 O PHE A 73 1.966 -13.733 5.204 1.00 10.00 O ATOM 1033 CB PHE A 73 2.275 -11.272 3.943 1.00 10.00 C ATOM 1034 CG PHE A 73 2.489 -10.132 2.945 1.00 10.00 C ATOM 1035 CD1 PHE A 73 1.420 -9.471 2.426 1.00 10.00 C ATOM 1036 CD2 PHE A 73 3.750 -9.779 2.577 1.00 10.00 C ATOM 1037 CE1 PHE A 73 1.619 -8.414 1.501 1.00 10.00 C ATOM 1038 CE2 PHE A 73 3.950 -8.721 1.650 1.00 10.00 C ATOM 1039 CZ PHE A 73 2.879 -8.060 1.131 1.00 10.00 C ATOM 0 H PHE A 73 0.052 -11.340 5.247 1.00 10.00 H new ATOM 0 HA PHE A 73 0.905 -12.243 2.544 1.00 10.00 H new ATOM 0 HB2 PHE A 73 2.140 -10.849 4.939 1.00 10.00 H new ATOM 0 HB3 PHE A 73 3.175 -11.886 3.977 1.00 10.00 H new ATOM 0 HD1 PHE A 73 0.419 -9.751 2.718 1.00 10.00 H new ATOM 0 HD2 PHE A 73 4.599 -10.303 2.990 1.00 10.00 H new ATOM 0 HE1 PHE A 73 0.769 -7.890 1.090 1.00 10.00 H new ATOM 0 HE2 PHE A 73 4.951 -8.441 1.357 1.00 10.00 H new ATOM 0 HZ PHE A 73 3.030 -7.256 0.426 1.00 10.00 H new ATOM 1049 N THR A 74 0.869 -14.558 3.407 1.00 10.00 N ATOM 1050 CA THR A 74 1.052 -15.947 3.794 1.00 10.00 C ATOM 1051 C THR A 74 2.174 -16.587 2.975 1.00 10.00 C ATOM 1052 O THR A 74 2.983 -17.344 3.510 1.00 10.00 O ATOM 1053 CB THR A 74 -0.293 -16.660 3.641 1.00 10.00 C ATOM 1054 OG1 THR A 74 -1.258 -15.635 3.857 1.00 10.00 O ATOM 1055 CG2 THR A 74 -0.557 -17.662 4.767 1.00 10.00 C ATOM 0 H THR A 74 0.355 -14.421 2.537 1.00 10.00 H new ATOM 0 HA THR A 74 1.365 -16.029 4.835 1.00 10.00 H new ATOM 0 HB THR A 74 -0.321 -17.176 2.681 1.00 10.00 H new ATOM 0 HG1 THR A 74 -2.159 -16.011 3.774 1.00 10.00 H new ATOM 0 HG21 THR A 74 -1.524 -18.139 4.610 1.00 10.00 H new ATOM 0 HG22 THR A 74 0.226 -18.420 4.770 1.00 10.00 H new ATOM 0 HG23 THR A 74 -0.561 -17.141 5.724 1.00 10.00 H new ATOM 1063 N GLU A 75 2.189 -16.258 1.692 1.00 10.00 N ATOM 1064 CA GLU A 75 3.200 -16.791 0.794 1.00 10.00 C ATOM 1065 C GLU A 75 4.525 -16.048 0.986 1.00 10.00 C ATOM 1066 O GLU A 75 4.603 -14.842 0.756 1.00 10.00 O ATOM 1067 CB GLU A 75 2.735 -16.715 -0.661 1.00 10.00 C ATOM 1068 CG GLU A 75 3.793 -17.290 -1.605 1.00 10.00 C ATOM 1069 CD GLU A 75 3.627 -16.733 -3.021 1.00 10.00 C ATOM 1070 OE1 GLU A 75 4.209 -15.658 -3.279 1.00 10.00 O ATOM 1071 OE2 GLU A 75 2.922 -17.396 -3.812 1.00 10.00 O ATOM 0 H GLU A 75 1.517 -15.629 1.252 1.00 10.00 H new ATOM 0 HA GLU A 75 3.357 -17.842 1.037 1.00 10.00 H new ATOM 0 HB2 GLU A 75 1.801 -17.265 -0.777 1.00 10.00 H new ATOM 0 HB3 GLU A 75 2.530 -15.678 -0.927 1.00 10.00 H new ATOM 0 HG2 GLU A 75 4.788 -17.050 -1.231 1.00 10.00 H new ATOM 0 HG3 GLU A 75 3.714 -18.377 -1.627 1.00 10.00 H new ATOM 1078 N PRO A 76 5.558 -16.820 1.416 1.00 10.00 N ATOM 1079 CA PRO A 76 6.874 -16.248 1.643 1.00 10.00 C ATOM 1080 C PRO A 76 7.587 -15.973 0.317 1.00 10.00 C ATOM 1081 O PRO A 76 8.351 -16.808 -0.166 1.00 10.00 O ATOM 1082 CB PRO A 76 7.602 -17.264 2.508 1.00 10.00 C ATOM 1083 CG PRO A 76 6.839 -18.569 2.350 1.00 10.00 C ATOM 1084 CD PRO A 76 5.501 -18.251 1.701 1.00 10.00 C ATOM 0 HA PRO A 76 6.831 -15.279 2.141 1.00 10.00 H new ATOM 0 HB2 PRO A 76 8.638 -17.377 2.190 1.00 10.00 H new ATOM 0 HB3 PRO A 76 7.621 -16.947 3.551 1.00 10.00 H new ATOM 0 HG2 PRO A 76 7.404 -19.270 1.736 1.00 10.00 H new ATOM 0 HG3 PRO A 76 6.690 -19.044 3.320 1.00 10.00 H new ATOM 0 HD2 PRO A 76 5.355 -18.831 0.790 1.00 10.00 H new ATOM 0 HD3 PRO A 76 4.671 -18.489 2.367 1.00 10.00 H new ATOM 1092 N GLY A 77 7.312 -14.800 -0.234 1.00 10.00 N ATOM 1093 CA GLY A 77 7.917 -14.405 -1.494 1.00 10.00 C ATOM 1094 C GLY A 77 8.131 -12.890 -1.550 1.00 10.00 C ATOM 1095 O GLY A 77 8.556 -12.285 -0.566 1.00 10.00 O ATOM 0 H GLY A 77 6.678 -14.110 0.169 1.00 10.00 H new ATOM 0 HA2 GLY A 77 8.872 -14.915 -1.619 1.00 10.00 H new ATOM 0 HA3 GLY A 77 7.279 -14.716 -2.321 1.00 10.00 H new ATOM 1099 N THR A 78 7.827 -12.323 -2.707 1.00 10.00 N ATOM 1100 CA THR A 78 7.981 -10.892 -2.903 1.00 10.00 C ATOM 1101 C THR A 78 6.878 -10.358 -3.820 1.00 10.00 C ATOM 1102 O THR A 78 6.675 -10.872 -4.919 1.00 10.00 O ATOM 1103 CB THR A 78 9.391 -10.636 -3.437 1.00 10.00 C ATOM 1104 OG1 THR A 78 10.238 -10.921 -2.327 1.00 10.00 O ATOM 1105 CG2 THR A 78 9.647 -9.157 -3.730 1.00 10.00 C ATOM 0 H THR A 78 7.474 -12.829 -3.519 1.00 10.00 H new ATOM 0 HA THR A 78 7.871 -10.350 -1.964 1.00 10.00 H new ATOM 0 HB THR A 78 9.546 -11.218 -4.346 1.00 10.00 H new ATOM 0 HG1 THR A 78 11.173 -10.783 -2.585 1.00 10.00 H new ATOM 0 HG21 THR A 78 10.662 -9.031 -4.106 1.00 10.00 H new ATOM 0 HG22 THR A 78 8.936 -8.806 -4.478 1.00 10.00 H new ATOM 0 HG23 THR A 78 9.525 -8.578 -2.814 1.00 10.00 H new ATOM 1113 N TYR A 79 6.193 -9.332 -3.334 1.00 10.00 N ATOM 1114 CA TYR A 79 5.116 -8.723 -4.096 1.00 10.00 C ATOM 1115 C TYR A 79 5.517 -7.333 -4.596 1.00 10.00 C ATOM 1116 O TYR A 79 6.402 -6.696 -4.027 1.00 10.00 O ATOM 1117 CB TYR A 79 3.942 -8.584 -3.127 1.00 10.00 C ATOM 1118 CG TYR A 79 3.387 -9.918 -2.625 1.00 10.00 C ATOM 1119 CD1 TYR A 79 4.064 -10.627 -1.654 1.00 10.00 C ATOM 1120 CD2 TYR A 79 2.206 -10.413 -3.145 1.00 10.00 C ATOM 1121 CE1 TYR A 79 3.542 -11.883 -1.183 1.00 10.00 C ATOM 1122 CE2 TYR A 79 1.684 -11.669 -2.673 1.00 10.00 C ATOM 1123 CZ TYR A 79 2.376 -12.342 -1.715 1.00 10.00 C ATOM 1124 OH TYR A 79 1.883 -13.529 -1.270 1.00 10.00 O ATOM 0 H TYR A 79 6.363 -8.908 -2.422 1.00 10.00 H new ATOM 0 HA TYR A 79 4.870 -9.330 -4.967 1.00 10.00 H new ATOM 0 HB2 TYR A 79 4.260 -7.989 -2.271 1.00 10.00 H new ATOM 0 HB3 TYR A 79 3.142 -8.032 -3.619 1.00 10.00 H new ATOM 0 HD1 TYR A 79 4.986 -10.239 -1.247 1.00 10.00 H new ATOM 0 HD2 TYR A 79 1.675 -9.858 -3.905 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.063 -12.448 -0.425 1.00 10.00 H new ATOM 0 HE2 TYR A 79 0.763 -12.068 -3.071 1.00 10.00 H new ATOM 0 HH TYR A 79 0.948 -13.620 -1.549 1.00 10.00 H new ATOM 1134 N THR A 80 4.848 -6.906 -5.657 1.00 10.00 N ATOM 1135 CA THR A 80 5.124 -5.604 -6.240 1.00 10.00 C ATOM 1136 C THR A 80 3.829 -4.964 -6.748 1.00 10.00 C ATOM 1137 O THR A 80 2.923 -5.661 -7.200 1.00 10.00 O ATOM 1138 CB THR A 80 6.179 -5.790 -7.332 1.00 10.00 C ATOM 1139 OG1 THR A 80 7.272 -6.405 -6.657 1.00 10.00 O ATOM 1140 CG2 THR A 80 6.747 -4.458 -7.827 1.00 10.00 C ATOM 0 H THR A 80 4.116 -7.438 -6.128 1.00 10.00 H new ATOM 0 HA THR A 80 5.523 -4.913 -5.497 1.00 10.00 H new ATOM 0 HB THR A 80 5.743 -6.333 -8.171 1.00 10.00 H new ATOM 0 HG1 THR A 80 8.001 -6.563 -7.292 1.00 10.00 H new ATOM 0 HG21 THR A 80 7.491 -4.645 -8.601 1.00 10.00 H new ATOM 0 HG22 THR A 80 5.942 -3.849 -8.238 1.00 10.00 H new ATOM 0 HG23 THR A 80 7.213 -3.930 -6.995 1.00 10.00 H new ATOM 1148 N TYR A 81 3.786 -3.643 -6.657 1.00 10.00 N ATOM 1149 CA TYR A 81 2.619 -2.900 -7.102 1.00 10.00 C ATOM 1150 C TYR A 81 3.028 -1.592 -7.782 1.00 10.00 C ATOM 1151 O TYR A 81 4.214 -1.280 -7.875 1.00 10.00 O ATOM 1152 CB TYR A 81 1.819 -2.575 -5.839 1.00 10.00 C ATOM 1153 CG TYR A 81 2.651 -1.944 -4.721 1.00 10.00 C ATOM 1154 CD1 TYR A 81 2.986 -0.608 -4.781 1.00 10.00 C ATOM 1155 CD2 TYR A 81 3.066 -2.712 -3.652 1.00 10.00 C ATOM 1156 CE1 TYR A 81 3.768 -0.013 -3.728 1.00 10.00 C ATOM 1157 CE2 TYR A 81 3.849 -2.119 -2.598 1.00 10.00 C ATOM 1158 CZ TYR A 81 4.161 -0.798 -2.689 1.00 10.00 C ATOM 1159 OH TYR A 81 4.901 -0.236 -1.695 1.00 10.00 O ATOM 0 H TYR A 81 4.540 -3.068 -6.282 1.00 10.00 H new ATOM 0 HA TYR A 81 2.045 -3.483 -7.822 1.00 10.00 H new ATOM 0 HB2 TYR A 81 1.007 -1.897 -6.100 1.00 10.00 H new ATOM 0 HB3 TYR A 81 1.362 -3.491 -5.465 1.00 10.00 H new ATOM 0 HD1 TYR A 81 2.662 -0.007 -5.618 1.00 10.00 H new ATOM 0 HD2 TYR A 81 2.804 -3.759 -3.606 1.00 10.00 H new ATOM 0 HE1 TYR A 81 4.036 1.033 -3.763 1.00 10.00 H new ATOM 0 HE2 TYR A 81 4.180 -2.709 -1.756 1.00 10.00 H new ATOM 0 HH TYR A 81 5.109 -0.914 -1.019 1.00 10.00 H new ATOM 1169 N TYR A 82 2.023 -0.861 -8.241 1.00 10.00 N ATOM 1170 CA TYR A 82 2.263 0.407 -8.910 1.00 10.00 C ATOM 1171 C TYR A 82 1.135 1.401 -8.621 1.00 10.00 C ATOM 1172 O TYR A 82 0.301 1.162 -7.750 1.00 10.00 O ATOM 1173 CB TYR A 82 2.282 0.096 -10.408 1.00 10.00 C ATOM 1174 CG TYR A 82 1.808 -1.316 -10.756 1.00 10.00 C ATOM 1175 CD1 TYR A 82 0.520 -1.705 -10.452 1.00 10.00 C ATOM 1176 CD2 TYR A 82 2.668 -2.200 -11.374 1.00 10.00 C ATOM 1177 CE1 TYR A 82 0.073 -3.036 -10.780 1.00 10.00 C ATOM 1178 CE2 TYR A 82 2.222 -3.529 -11.703 1.00 10.00 C ATOM 1179 CZ TYR A 82 0.947 -3.881 -11.390 1.00 10.00 C ATOM 1180 OH TYR A 82 0.525 -5.137 -11.700 1.00 10.00 O ATOM 0 H TYR A 82 1.040 -1.122 -8.163 1.00 10.00 H new ATOM 0 HA TYR A 82 3.195 0.854 -8.564 1.00 10.00 H new ATOM 0 HB2 TYR A 82 1.651 0.818 -10.927 1.00 10.00 H new ATOM 0 HB3 TYR A 82 3.296 0.231 -10.784 1.00 10.00 H new ATOM 0 HD1 TYR A 82 -0.153 -1.013 -9.968 1.00 10.00 H new ATOM 0 HD2 TYR A 82 3.677 -1.895 -11.611 1.00 10.00 H new ATOM 0 HE1 TYR A 82 -0.932 -3.355 -10.547 1.00 10.00 H new ATOM 0 HE2 TYR A 82 2.885 -4.230 -12.187 1.00 10.00 H new ATOM 0 HH TYR A 82 0.737 -5.332 -12.637 1.00 10.00 H new ATOM 1190 N CYS A 83 1.148 2.493 -9.371 1.00 10.00 N ATOM 1191 CA CYS A 83 0.137 3.525 -9.207 1.00 10.00 C ATOM 1192 C CYS A 83 -0.086 4.199 -10.562 1.00 10.00 C ATOM 1193 O CYS A 83 0.562 5.196 -10.877 1.00 10.00 O ATOM 1194 CB CYS A 83 0.528 4.533 -8.125 1.00 10.00 C ATOM 1195 SG CYS A 83 -0.935 4.961 -7.111 1.00 10.00 S ATOM 0 H CYS A 83 1.842 2.686 -10.093 1.00 10.00 H new ATOM 0 HA CYS A 83 -0.796 3.073 -8.870 1.00 10.00 H new ATOM 0 HB2 CYS A 83 1.310 4.114 -7.492 1.00 10.00 H new ATOM 0 HB3 CYS A 83 0.938 5.432 -8.585 1.00 10.00 H new ATOM 1200 N GLU A 84 -1.004 3.627 -11.328 1.00 10.00 N ATOM 1201 CA GLU A 84 -1.319 4.160 -12.643 1.00 10.00 C ATOM 1202 C GLU A 84 -2.187 5.413 -12.512 1.00 10.00 C ATOM 1203 O GLU A 84 -1.826 6.478 -13.008 1.00 10.00 O ATOM 1204 CB GLU A 84 -2.005 3.105 -13.512 1.00 10.00 C ATOM 1205 CG GLU A 84 -1.208 2.845 -14.792 1.00 10.00 C ATOM 1206 CD GLU A 84 -2.140 2.576 -15.974 1.00 10.00 C ATOM 1207 OE1 GLU A 84 -3.064 1.753 -15.792 1.00 10.00 O ATOM 1208 OE2 GLU A 84 -1.910 3.198 -17.032 1.00 10.00 O ATOM 0 H GLU A 84 -1.539 2.800 -11.063 1.00 10.00 H new ATOM 0 HA GLU A 84 -0.387 4.437 -13.135 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -2.109 2.177 -12.949 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -3.011 3.437 -13.767 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -0.576 3.705 -15.012 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -0.546 1.992 -14.645 1.00 10.00 H new ATOM 1215 N PRO A 85 -3.348 5.238 -11.823 1.00 10.00 N ATOM 1216 CA PRO A 85 -4.272 6.343 -11.622 1.00 10.00 C ATOM 1217 C PRO A 85 -3.746 7.310 -10.559 1.00 10.00 C ATOM 1218 O PRO A 85 -4.432 7.592 -9.579 1.00 10.00 O ATOM 1219 CB PRO A 85 -5.587 5.689 -11.232 1.00 10.00 C ATOM 1220 CG PRO A 85 -5.235 4.281 -10.778 1.00 10.00 C ATOM 1221 CD PRO A 85 -3.810 3.992 -11.222 1.00 10.00 C ATOM 0 HA PRO A 85 -4.397 6.956 -12.515 1.00 10.00 H new ATOM 0 HB2 PRO A 85 -6.078 6.245 -10.434 1.00 10.00 H new ATOM 0 HB3 PRO A 85 -6.277 5.666 -12.076 1.00 10.00 H new ATOM 0 HG2 PRO A 85 -5.322 4.196 -9.695 1.00 10.00 H new ATOM 0 HG3 PRO A 85 -5.924 3.556 -11.211 1.00 10.00 H new ATOM 0 HD2 PRO A 85 -3.183 3.704 -10.378 1.00 10.00 H new ATOM 0 HD3 PRO A 85 -3.777 3.171 -11.938 1.00 10.00 H new ATOM 1229 N HIS A 86 -2.533 7.790 -10.789 1.00 10.00 N ATOM 1230 CA HIS A 86 -1.908 8.720 -9.864 1.00 10.00 C ATOM 1231 C HIS A 86 -1.293 9.885 -10.644 1.00 10.00 C ATOM 1232 O HIS A 86 -1.513 11.046 -10.306 1.00 10.00 O ATOM 1233 CB HIS A 86 -0.892 7.999 -8.975 1.00 10.00 C ATOM 1234 CG HIS A 86 -0.317 8.863 -7.878 1.00 10.00 C ATOM 1235 ND1 HIS A 86 -0.493 8.583 -6.534 1.00 10.00 N ATOM 1236 CD2 HIS A 86 0.433 10.001 -7.940 1.00 10.00 C ATOM 1237 CE1 HIS A 86 0.127 9.516 -5.827 1.00 10.00 C ATOM 1238 NE2 HIS A 86 0.699 10.394 -6.700 1.00 10.00 N ATOM 0 H HIS A 86 -1.966 7.552 -11.603 1.00 10.00 H new ATOM 0 HA HIS A 86 -2.661 9.135 -9.194 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -1.370 7.129 -8.526 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -0.077 7.629 -9.597 1.00 10.00 H new ATOM 0 HD1 HIS A 86 -1.012 7.792 -6.153 1.00 10.00 H new ATOM 0 HD2 HIS A 86 0.755 10.497 -8.843 1.00 10.00 H new ATOM 0 HE1 HIS A 86 0.172 9.572 -4.749 1.00 10.00 H new ATOM 1246 N ARG A 87 -0.535 9.531 -11.672 1.00 10.00 N ATOM 1247 CA ARG A 87 0.113 10.532 -12.502 1.00 10.00 C ATOM 1248 C ARG A 87 1.305 9.919 -13.239 1.00 10.00 C ATOM 1249 O ARG A 87 1.855 8.909 -12.806 1.00 10.00 O ATOM 1250 CB ARG A 87 0.596 11.715 -11.662 1.00 10.00 C ATOM 1251 CG ARG A 87 -0.337 12.918 -11.820 1.00 10.00 C ATOM 1252 CD ARG A 87 -0.582 13.604 -10.474 1.00 10.00 C ATOM 1253 NE ARG A 87 -2.032 13.636 -10.178 1.00 10.00 N ATOM 1254 CZ ARG A 87 -2.576 14.317 -9.161 1.00 10.00 C ATOM 1255 NH1 ARG A 87 -1.794 15.025 -8.335 1.00 10.00 N ATOM 1256 NH2 ARG A 87 -3.902 14.288 -8.968 1.00 10.00 N ATOM 0 H ARG A 87 -0.355 8.566 -11.949 1.00 10.00 H new ATOM 0 HA ARG A 87 -0.621 10.889 -13.224 1.00 10.00 H new ATOM 0 HB2 ARG A 87 0.646 11.424 -10.613 1.00 10.00 H new ATOM 0 HB3 ARG A 87 1.606 11.992 -11.964 1.00 10.00 H new ATOM 0 HG2 ARG A 87 0.098 13.630 -12.521 1.00 10.00 H new ATOM 0 HG3 ARG A 87 -1.287 12.593 -12.244 1.00 10.00 H new ATOM 0 HD2 ARG A 87 -0.053 13.072 -9.684 1.00 10.00 H new ATOM 0 HD3 ARG A 87 -0.185 14.619 -10.496 1.00 10.00 H new ATOM 0 HE ARG A 87 -2.656 13.106 -10.787 1.00 10.00 H new ATOM 0 HH11 ARG A 87 -0.785 15.045 -8.481 1.00 10.00 H new ATOM 0 HH12 ARG A 87 -2.208 15.544 -7.560 1.00 10.00 H new ATOM 0 HH21 ARG A 87 -4.497 13.747 -9.596 1.00 10.00 H new ATOM 0 HH22 ARG A 87 -4.316 14.807 -8.193 1.00 10.00 H new ATOM 1270 N GLY A 88 1.671 10.558 -14.341 1.00 10.00 N ATOM 1271 CA GLY A 88 2.787 10.089 -15.144 1.00 10.00 C ATOM 1272 C GLY A 88 4.121 10.532 -14.538 1.00 10.00 C ATOM 1273 O GLY A 88 4.950 11.127 -15.225 1.00 10.00 O ATOM 0 H GLY A 88 1.214 11.397 -14.697 1.00 10.00 H new ATOM 0 HA2 GLY A 88 2.758 9.002 -15.214 1.00 10.00 H new ATOM 0 HA3 GLY A 88 2.698 10.476 -16.159 1.00 10.00 H new ATOM 1277 N ALA A 89 4.286 10.224 -13.260 1.00 10.00 N ATOM 1278 CA ALA A 89 5.504 10.583 -12.556 1.00 10.00 C ATOM 1279 C ALA A 89 6.300 9.314 -12.242 1.00 10.00 C ATOM 1280 O ALA A 89 7.526 9.303 -12.347 1.00 10.00 O ATOM 1281 CB ALA A 89 5.151 11.375 -11.296 1.00 10.00 C ATOM 0 H ALA A 89 3.596 9.730 -12.694 1.00 10.00 H new ATOM 0 HA ALA A 89 6.132 11.221 -13.178 1.00 10.00 H new ATOM 0 HB1 ALA A 89 6.065 11.644 -10.768 1.00 10.00 H new ATOM 0 HB2 ALA A 89 4.613 12.281 -11.575 1.00 10.00 H new ATOM 0 HB3 ALA A 89 4.523 10.765 -10.647 1.00 10.00 H new ATOM 1287 N GLY A 90 5.570 8.275 -11.863 1.00 10.00 N ATOM 1288 CA GLY A 90 6.192 7.004 -11.533 1.00 10.00 C ATOM 1289 C GLY A 90 6.062 6.701 -10.040 1.00 10.00 C ATOM 1290 O GLY A 90 5.761 7.591 -9.245 1.00 10.00 O ATOM 0 H GLY A 90 4.554 8.288 -11.777 1.00 10.00 H new ATOM 0 HA2 GLY A 90 5.726 6.206 -12.111 1.00 10.00 H new ATOM 0 HA3 GLY A 90 7.245 7.027 -11.813 1.00 10.00 H new ATOM 1294 N MET A 91 6.296 5.441 -9.702 1.00 10.00 N ATOM 1295 CA MET A 91 6.209 5.010 -8.316 1.00 10.00 C ATOM 1296 C MET A 91 6.847 3.631 -8.130 1.00 10.00 C ATOM 1297 O MET A 91 6.493 2.680 -8.827 1.00 10.00 O ATOM 1298 CB MET A 91 4.740 4.954 -7.891 1.00 10.00 C ATOM 1299 CG MET A 91 4.391 6.126 -6.971 1.00 10.00 C ATOM 1300 SD MET A 91 2.795 6.794 -7.411 1.00 10.00 S ATOM 1301 CE MET A 91 2.066 6.947 -5.789 1.00 10.00 C ATOM 0 H MET A 91 6.545 4.705 -10.363 1.00 10.00 H new ATOM 0 HA MET A 91 6.749 5.726 -7.697 1.00 10.00 H new ATOM 0 HB2 MET A 91 4.101 4.977 -8.774 1.00 10.00 H new ATOM 0 HB3 MET A 91 4.542 4.013 -7.378 1.00 10.00 H new ATOM 0 HG2 MET A 91 4.382 5.794 -5.933 1.00 10.00 H new ATOM 0 HG3 MET A 91 5.153 6.901 -7.051 1.00 10.00 H new ATOM 0 HE1 MET A 91 1.001 6.721 -5.846 1.00 10.00 H new ATOM 0 HE2 MET A 91 2.549 6.248 -5.106 1.00 10.00 H new ATOM 0 HE3 MET A 91 2.202 7.965 -5.423 1.00 10.00 H new ATOM 1311 N VAL A 92 7.777 3.567 -7.189 1.00 10.00 N ATOM 1312 CA VAL A 92 8.468 2.322 -6.904 1.00 10.00 C ATOM 1313 C VAL A 92 8.112 1.860 -5.488 1.00 10.00 C ATOM 1314 O VAL A 92 7.496 2.603 -4.725 1.00 10.00 O ATOM 1315 CB VAL A 92 9.973 2.497 -7.114 1.00 10.00 C ATOM 1316 CG1 VAL A 92 10.703 1.159 -6.991 1.00 10.00 C ATOM 1317 CG2 VAL A 92 10.263 3.161 -8.462 1.00 10.00 C ATOM 0 H VAL A 92 8.068 4.358 -6.614 1.00 10.00 H new ATOM 0 HA VAL A 92 8.147 1.541 -7.593 1.00 10.00 H new ATOM 0 HB VAL A 92 10.348 3.154 -6.329 1.00 10.00 H new ATOM 0 HG11 VAL A 92 11.771 1.312 -7.145 1.00 10.00 H new ATOM 0 HG12 VAL A 92 10.535 0.743 -5.998 1.00 10.00 H new ATOM 0 HG13 VAL A 92 10.324 0.467 -7.743 1.00 10.00 H new ATOM 0 HG21 VAL A 92 11.340 3.274 -8.588 1.00 10.00 H new ATOM 0 HG22 VAL A 92 9.867 2.540 -9.266 1.00 10.00 H new ATOM 0 HG23 VAL A 92 9.789 4.142 -8.494 1.00 10.00 H new ATOM 1327 N GLY A 93 8.514 0.635 -5.182 1.00 10.00 N ATOM 1328 CA GLY A 93 8.246 0.065 -3.872 1.00 10.00 C ATOM 1329 C GLY A 93 7.692 -1.355 -3.996 1.00 10.00 C ATOM 1330 O GLY A 93 6.788 -1.606 -4.791 1.00 10.00 O ATOM 0 H GLY A 93 9.023 0.021 -5.818 1.00 10.00 H new ATOM 0 HA2 GLY A 93 9.163 0.051 -3.283 1.00 10.00 H new ATOM 0 HA3 GLY A 93 7.533 0.692 -3.337 1.00 10.00 H new ATOM 1334 N LYS A 94 8.258 -2.248 -3.197 1.00 10.00 N ATOM 1335 CA LYS A 94 7.832 -3.638 -3.208 1.00 10.00 C ATOM 1336 C LYS A 94 7.916 -4.203 -1.789 1.00 10.00 C ATOM 1337 O LYS A 94 8.676 -3.703 -0.961 1.00 10.00 O ATOM 1338 CB LYS A 94 8.637 -4.438 -4.235 1.00 10.00 C ATOM 1339 CG LYS A 94 10.131 -4.413 -3.903 1.00 10.00 C ATOM 1340 CD LYS A 94 10.976 -4.467 -5.175 1.00 10.00 C ATOM 1341 CE LYS A 94 11.647 -3.118 -5.446 1.00 10.00 C ATOM 1342 NZ LYS A 94 11.945 -2.968 -6.888 1.00 10.00 N ATOM 0 H LYS A 94 9.007 -2.037 -2.538 1.00 10.00 H new ATOM 0 HA LYS A 94 6.791 -3.714 -3.523 1.00 10.00 H new ATOM 0 HB2 LYS A 94 8.283 -5.469 -4.256 1.00 10.00 H new ATOM 0 HB3 LYS A 94 8.475 -4.025 -5.231 1.00 10.00 H new ATOM 0 HG2 LYS A 94 10.368 -3.508 -3.343 1.00 10.00 H new ATOM 0 HG3 LYS A 94 10.379 -5.259 -3.261 1.00 10.00 H new ATOM 0 HD2 LYS A 94 11.736 -5.242 -5.078 1.00 10.00 H new ATOM 0 HD3 LYS A 94 10.347 -4.741 -6.022 1.00 10.00 H new ATOM 0 HE2 LYS A 94 10.995 -2.308 -5.117 1.00 10.00 H new ATOM 0 HE3 LYS A 94 12.568 -3.041 -4.868 1.00 10.00 H new ATOM 0 HZ1 LYS A 94 12.400 -2.048 -7.055 1.00 10.00 H new ATOM 0 HZ2 LYS A 94 12.584 -3.730 -7.192 1.00 10.00 H new ATOM 0 HZ3 LYS A 94 11.061 -3.021 -7.433 1.00 10.00 H new ATOM 1356 N VAL A 95 7.122 -5.237 -1.549 1.00 10.00 N ATOM 1357 CA VAL A 95 7.095 -5.874 -0.245 1.00 10.00 C ATOM 1358 C VAL A 95 7.838 -7.209 -0.319 1.00 10.00 C ATOM 1359 O VAL A 95 7.946 -7.805 -1.390 1.00 10.00 O ATOM 1360 CB VAL A 95 5.650 -6.019 0.239 1.00 10.00 C ATOM 1361 CG1 VAL A 95 5.595 -6.183 1.758 1.00 10.00 C ATOM 1362 CG2 VAL A 95 4.799 -4.833 -0.217 1.00 10.00 C ATOM 0 H VAL A 95 6.492 -5.649 -2.237 1.00 10.00 H new ATOM 0 HA VAL A 95 7.609 -5.256 0.492 1.00 10.00 H new ATOM 0 HB VAL A 95 5.234 -6.921 -0.209 1.00 10.00 H new ATOM 0 HG11 VAL A 95 4.557 -6.284 2.076 1.00 10.00 H new ATOM 0 HG12 VAL A 95 6.152 -7.074 2.048 1.00 10.00 H new ATOM 0 HG13 VAL A 95 6.037 -5.308 2.235 1.00 10.00 H new ATOM 0 HG21 VAL A 95 3.777 -4.960 0.140 1.00 10.00 H new ATOM 0 HG22 VAL A 95 5.213 -3.910 0.190 1.00 10.00 H new ATOM 0 HG23 VAL A 95 4.800 -4.782 -1.306 1.00 10.00 H new ATOM 1372 N VAL A 96 8.328 -7.643 0.833 1.00 10.00 N ATOM 1373 CA VAL A 96 9.057 -8.898 0.911 1.00 10.00 C ATOM 1374 C VAL A 96 8.699 -9.610 2.218 1.00 10.00 C ATOM 1375 O VAL A 96 8.942 -9.083 3.302 1.00 10.00 O ATOM 1376 CB VAL A 96 10.558 -8.642 0.761 1.00 10.00 C ATOM 1377 CG1 VAL A 96 11.337 -9.958 0.722 1.00 10.00 C ATOM 1378 CG2 VAL A 96 10.849 -7.793 -0.478 1.00 10.00 C ATOM 0 H VAL A 96 8.235 -7.148 1.720 1.00 10.00 H new ATOM 0 HA VAL A 96 8.771 -9.558 0.092 1.00 10.00 H new ATOM 0 HB VAL A 96 10.892 -8.082 1.635 1.00 10.00 H new ATOM 0 HG11 VAL A 96 12.401 -9.748 0.615 1.00 10.00 H new ATOM 0 HG12 VAL A 96 11.167 -10.509 1.647 1.00 10.00 H new ATOM 0 HG13 VAL A 96 10.998 -10.556 -0.124 1.00 10.00 H new ATOM 0 HG21 VAL A 96 11.923 -7.626 -0.561 1.00 10.00 H new ATOM 0 HG22 VAL A 96 10.493 -8.313 -1.367 1.00 10.00 H new ATOM 0 HG23 VAL A 96 10.339 -6.834 -0.390 1.00 10.00 H new ATOM 1388 N VAL A 97 8.127 -10.795 2.071 1.00 10.00 N ATOM 1389 CA VAL A 97 7.734 -11.585 3.224 1.00 10.00 C ATOM 1390 C VAL A 97 8.965 -12.289 3.801 1.00 10.00 C ATOM 1391 O VAL A 97 10.034 -12.271 3.193 1.00 10.00 O ATOM 1392 CB VAL A 97 6.616 -12.556 2.838 1.00 10.00 C ATOM 1393 CG1 VAL A 97 5.796 -12.965 4.064 1.00 10.00 C ATOM 1394 CG2 VAL A 97 5.719 -11.957 1.753 1.00 10.00 C ATOM 0 H VAL A 97 7.926 -11.228 1.169 1.00 10.00 H new ATOM 0 HA VAL A 97 7.332 -10.942 4.007 1.00 10.00 H new ATOM 0 HB VAL A 97 7.080 -13.455 2.431 1.00 10.00 H new ATOM 0 HG11 VAL A 97 5.008 -13.655 3.761 1.00 10.00 H new ATOM 0 HG12 VAL A 97 6.446 -13.452 4.790 1.00 10.00 H new ATOM 0 HG13 VAL A 97 5.349 -12.079 4.515 1.00 10.00 H new ATOM 0 HG21 VAL A 97 4.933 -12.668 1.497 1.00 10.00 H new ATOM 0 HG22 VAL A 97 5.269 -11.035 2.121 1.00 10.00 H new ATOM 0 HG23 VAL A 97 6.315 -11.741 0.866 1.00 10.00 H new ATOM 1404 N ASP A 98 8.773 -12.891 4.965 1.00 10.00 N ATOM 1405 CA ASP A 98 9.853 -13.598 5.628 1.00 10.00 C ATOM 1406 C ASP A 98 9.715 -15.099 5.362 1.00 10.00 C ATOM 1407 O ASP A 98 9.003 -15.797 6.081 1.00 10.00 O ATOM 1408 CB ASP A 98 9.807 -13.382 7.143 1.00 10.00 C ATOM 1409 CG ASP A 98 10.870 -14.139 7.939 1.00 10.00 C ATOM 1410 OD1 ASP A 98 12.001 -13.614 8.018 1.00 10.00 O ATOM 1411 OD2 ASP A 98 10.529 -15.228 8.448 1.00 10.00 O ATOM 0 H ASP A 98 7.884 -12.903 5.466 1.00 10.00 H new ATOM 0 HA ASP A 98 10.795 -13.214 5.237 1.00 10.00 H new ATOM 0 HB2 ASP A 98 9.914 -12.316 7.346 1.00 10.00 H new ATOM 0 HB3 ASP A 98 8.823 -13.679 7.507 1.00 10.00 H new TER 1416 ASP A 98 HETATM 1417 CU CU A 99 0.219 6.592 -5.574 1.00 10.00 CU