USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 31 SER OG : rot -93:sc= -1.97! USER MOD Set 1.2: A 39 ASN : amide:sc= -10.4! C(o=-16!,f=-25!) USER MOD Set 1.3: A 43 THR OG1 : rot -93:sc= -4.16! USER MOD Single : A 1 LYS N :NH3+ -135:sc=-0.00513 (180deg=-0.414) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 5 GLN : amide:sc= -2.13! C(o=-2.1!,f=-3.6!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 MET CE :methyl -148:sc= -2.82! (180deg=-4.15!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00786 K(o=-0.0079,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.0077 (180deg=-0.234) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -156:sc= -0.222 (180deg=-1.31!) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -2.49! (180deg=-3.2!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -2.17! (180deg=-2.24!) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.526 (180deg=-2.44!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.298 17.998 -1.490 1.00 0.00 N ATOM 2 CA LYS A 1 -8.404 16.827 -1.261 1.00 0.00 C ATOM 3 C LYS A 1 -9.204 15.694 -0.615 1.00 0.00 C ATOM 4 O LYS A 1 -10.239 15.914 -0.018 1.00 0.00 O ATOM 5 CB LYS A 1 -7.256 17.235 -0.334 1.00 0.00 C ATOM 6 CG LYS A 1 -6.413 18.314 -1.014 1.00 0.00 C ATOM 7 CD LYS A 1 -5.203 18.643 -0.138 1.00 0.00 C ATOM 8 CE LYS A 1 -4.424 19.803 -0.759 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.079 19.896 -0.124 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.135 18.378 -2.444 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.290 17.700 -1.400 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.093 18.734 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.998 16.488 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.652 17.609 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.638 16.369 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.083 17.969 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.012 19.210 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.530 18.908 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.560 17.768 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.321 19.652 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.969 20.737 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.549 20.685 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.188 20.060 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.560 19.008 -0.279 1.00 0.00 H new ATOM 10 N ASN A 2 -8.732 14.482 -0.730 1.00 0.00 N ATOM 11 CA ASN A 2 -9.466 13.337 -0.122 1.00 0.00 C ATOM 12 C ASN A 2 -10.873 13.259 -0.720 1.00 0.00 C ATOM 13 O ASN A 2 -11.852 13.137 -0.011 1.00 0.00 O ATOM 14 CB ASN A 2 -9.566 13.540 1.391 1.00 0.00 C ATOM 15 CG ASN A 2 -8.161 13.685 1.980 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.251 12.979 1.592 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.944 14.577 2.908 1.00 0.00 N ATOM 0 H ASN A 2 -7.871 14.236 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.930 12.411 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.158 14.429 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.079 12.694 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.011 14.681 3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.707 15.170 3.234 1.00 0.00 H new ATOM 18 N GLU A 3 -10.981 13.329 -2.018 1.00 0.00 N ATOM 19 CA GLU A 3 -12.324 13.259 -2.661 1.00 0.00 C ATOM 20 C GLU A 3 -12.898 11.851 -2.490 1.00 0.00 C ATOM 21 O GLU A 3 -14.097 11.659 -2.466 1.00 0.00 O ATOM 22 CB GLU A 3 -12.194 13.578 -4.151 1.00 0.00 C ATOM 23 CG GLU A 3 -11.721 15.022 -4.322 1.00 0.00 C ATOM 24 CD GLU A 3 -11.625 15.355 -5.812 1.00 0.00 C ATOM 25 OE1 GLU A 3 -11.746 14.442 -6.611 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.432 16.517 -6.128 1.00 0.00 O ATOM 0 H GLU A 3 -10.197 13.432 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.990 13.983 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.487 12.894 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.153 13.436 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.415 15.704 -3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.750 15.157 -3.845 1.00 0.00 H new ATOM 27 N ASP A 4 -12.051 10.865 -2.373 1.00 0.00 N ATOM 28 CA ASP A 4 -12.552 9.472 -2.205 1.00 0.00 C ATOM 29 C ASP A 4 -13.414 9.389 -0.943 1.00 0.00 C ATOM 30 O ASP A 4 -14.343 8.610 -0.865 1.00 0.00 O ATOM 31 CB ASP A 4 -11.364 8.515 -2.080 1.00 0.00 C ATOM 32 CG ASP A 4 -11.845 7.079 -2.297 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.034 6.896 -2.498 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.015 6.185 -2.261 1.00 0.00 O ATOM 0 H ASP A 4 -11.036 10.964 -2.386 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.152 9.193 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.599 8.769 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.906 8.612 -1.096 1.00 0.00 H new ATOM 35 N GLN A 5 -13.113 10.185 0.046 1.00 0.00 N ATOM 36 CA GLN A 5 -13.917 10.152 1.301 1.00 0.00 C ATOM 37 C GLN A 5 -15.369 10.520 0.985 1.00 0.00 C ATOM 38 O GLN A 5 -16.291 10.037 1.610 1.00 0.00 O ATOM 39 CB GLN A 5 -13.343 11.156 2.303 1.00 0.00 C ATOM 40 CG GLN A 5 -11.928 10.731 2.698 1.00 0.00 C ATOM 41 CD GLN A 5 -11.333 11.769 3.650 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.801 12.888 3.719 1.00 0.00 O ATOM 43 NE2 GLN A 5 -10.311 11.444 4.394 1.00 0.00 N ATOM 0 H GLN A 5 -12.345 10.857 0.040 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.880 9.151 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.325 12.154 1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.979 11.208 3.187 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.951 9.752 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.304 10.636 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.917 10.505 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.906 12.129 5.032 1.00 0.00 H new ATOM 44 N GLU A 6 -15.578 11.369 0.016 1.00 0.00 N ATOM 45 CA GLU A 6 -16.969 11.766 -0.340 1.00 0.00 C ATOM 46 C GLU A 6 -17.757 10.526 -0.763 1.00 0.00 C ATOM 47 O GLU A 6 -18.882 10.322 -0.351 1.00 0.00 O ATOM 48 CB GLU A 6 -16.934 12.766 -1.498 1.00 0.00 C ATOM 49 CG GLU A 6 -16.303 14.076 -1.020 1.00 0.00 C ATOM 50 CD GLU A 6 -16.422 15.131 -2.120 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.836 14.777 -3.212 1.00 0.00 O ATOM 52 OE2 GLU A 6 -16.099 16.276 -1.853 1.00 0.00 O ATOM 0 H GLU A 6 -14.845 11.805 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.449 12.227 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.361 12.356 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.944 12.949 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.801 14.422 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.255 13.916 -0.767 1.00 0.00 H new ATOM 53 N MET A 7 -17.175 9.692 -1.581 1.00 0.00 N ATOM 54 CA MET A 7 -17.890 8.465 -2.026 1.00 0.00 C ATOM 55 C MET A 7 -18.177 7.582 -0.812 1.00 0.00 C ATOM 56 O MET A 7 -19.030 6.717 -0.847 1.00 0.00 O ATOM 57 CB MET A 7 -17.019 7.698 -3.022 1.00 0.00 C ATOM 58 CG MET A 7 -16.905 8.495 -4.322 1.00 0.00 C ATOM 59 SD MET A 7 -15.592 7.788 -5.350 1.00 0.00 S ATOM 60 CE MET A 7 -15.575 9.084 -6.612 1.00 0.00 C ATOM 0 H MET A 7 -16.235 9.808 -1.960 1.00 0.00 H new ATOM 0 HA MET A 7 -18.828 8.742 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.029 7.528 -2.599 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.453 6.718 -3.221 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.853 8.473 -4.859 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.687 9.540 -4.102 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.822 8.849 -7.365 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.555 9.144 -7.085 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.337 10.041 -6.148 1.00 0.00 H new ATOM 61 N CYS A 8 -17.470 7.793 0.264 1.00 0.00 N ATOM 62 CA CYS A 8 -17.701 6.967 1.480 1.00 0.00 C ATOM 63 C CYS A 8 -18.909 7.510 2.242 1.00 0.00 C ATOM 64 O CYS A 8 -19.516 6.818 3.034 1.00 0.00 O ATOM 65 CB CYS A 8 -16.458 7.014 2.370 1.00 0.00 C ATOM 66 SG CYS A 8 -15.055 6.299 1.474 1.00 0.00 S ATOM 0 H CYS A 8 -16.742 8.502 0.353 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.896 5.934 1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -16.238 8.043 2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.636 6.461 3.292 1.00 0.00 H new ATOM 67 N HIS A 9 -19.274 8.739 1.999 1.00 0.00 N ATOM 68 CA HIS A 9 -20.456 9.308 2.705 1.00 0.00 C ATOM 69 C HIS A 9 -21.647 8.374 2.481 1.00 0.00 C ATOM 70 O HIS A 9 -22.285 7.929 3.415 1.00 0.00 O ATOM 71 CB HIS A 9 -20.769 10.699 2.144 1.00 0.00 C ATOM 72 CG HIS A 9 -22.155 11.111 2.558 1.00 0.00 C ATOM 73 ND1 HIS A 9 -23.289 10.517 2.028 1.00 0.00 N ATOM 74 CD2 HIS A 9 -22.606 12.052 3.449 1.00 0.00 C ATOM 75 CE1 HIS A 9 -24.358 11.100 2.600 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.999 12.044 3.475 1.00 0.00 N ATOM 0 H HIS A 9 -18.808 9.370 1.347 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.251 9.399 3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.040 11.422 2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.691 10.689 1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.977 12.700 4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -25.382 10.837 2.379 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.612 12.632 4.040 1.00 0.00 H new ATOM 77 N GLU A 10 -21.942 8.064 1.248 1.00 0.00 N ATOM 78 CA GLU A 10 -23.081 7.149 0.964 1.00 0.00 C ATOM 79 C GLU A 10 -22.702 5.733 1.397 1.00 0.00 C ATOM 80 O GLU A 10 -23.526 4.977 1.874 1.00 0.00 O ATOM 81 CB GLU A 10 -23.389 7.157 -0.533 1.00 0.00 C ATOM 82 CG GLU A 10 -23.782 8.570 -0.968 1.00 0.00 C ATOM 83 CD GLU A 10 -24.128 8.566 -2.458 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.917 7.545 -3.092 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.599 9.583 -2.939 1.00 0.00 O ATOM 0 H GLU A 10 -21.443 8.405 0.426 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.962 7.482 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.518 6.821 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.198 6.460 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.636 8.917 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.963 9.263 -0.776 1.00 0.00 H new ATOM 86 N PHE A 11 -21.457 5.370 1.245 1.00 0.00 N ATOM 87 CA PHE A 11 -21.025 4.008 1.658 1.00 0.00 C ATOM 88 C PHE A 11 -20.847 3.980 3.179 1.00 0.00 C ATOM 89 O PHE A 11 -20.477 2.975 3.756 1.00 0.00 O ATOM 90 CB PHE A 11 -19.707 3.656 0.962 1.00 0.00 C ATOM 91 CG PHE A 11 -19.997 2.760 -0.221 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.244 2.825 -0.858 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.027 1.859 -0.679 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.520 1.992 -1.947 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.304 1.028 -1.767 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.550 1.092 -2.401 1.00 0.00 C ATOM 0 H PHE A 11 -20.722 5.959 0.853 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.779 3.275 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.202 4.564 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.036 3.154 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.993 3.520 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.065 1.807 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.481 2.044 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.555 0.335 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.763 0.447 -3.241 1.00 0.00 H new ATOM 97 N GLN A 12 -21.126 5.077 3.832 1.00 0.00 N ATOM 98 CA GLN A 12 -20.997 5.123 5.315 1.00 0.00 C ATOM 99 C GLN A 12 -22.355 4.788 5.931 1.00 0.00 C ATOM 100 O GLN A 12 -22.445 4.133 6.950 1.00 0.00 O ATOM 101 CB GLN A 12 -20.573 6.528 5.750 1.00 0.00 C ATOM 102 CG GLN A 12 -19.049 6.591 5.861 1.00 0.00 C ATOM 103 CD GLN A 12 -18.624 8.010 6.239 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.450 8.893 6.362 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.360 8.270 6.429 1.00 0.00 N ATOM 0 H GLN A 12 -21.439 5.946 3.399 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.247 4.405 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.926 7.265 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.028 6.776 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.699 5.883 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.592 6.303 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.666 7.530 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.066 9.214 6.681 1.00 0.00 H new ATOM 106 N ALA A 13 -23.416 5.231 5.309 1.00 0.00 N ATOM 107 CA ALA A 13 -24.775 4.939 5.844 1.00 0.00 C ATOM 108 C ALA A 13 -25.125 3.478 5.555 1.00 0.00 C ATOM 109 O ALA A 13 -25.975 2.894 6.196 1.00 0.00 O ATOM 110 CB ALA A 13 -25.799 5.852 5.167 1.00 0.00 C ATOM 0 H ALA A 13 -23.398 5.784 4.452 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.791 5.115 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.793 5.637 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.547 6.893 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.788 5.677 4.091 1.00 0.00 H new ATOM 111 N PHE A 14 -24.465 2.883 4.597 1.00 0.00 N ATOM 112 CA PHE A 14 -24.747 1.456 4.272 1.00 0.00 C ATOM 113 C PHE A 14 -23.857 0.567 5.139 1.00 0.00 C ATOM 114 O PHE A 14 -23.659 -0.599 4.859 1.00 0.00 O ATOM 115 CB PHE A 14 -24.441 1.194 2.794 1.00 0.00 C ATOM 116 CG PHE A 14 -25.272 2.109 1.928 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.582 2.434 2.304 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.734 2.632 0.745 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.352 3.281 1.497 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.503 3.479 -0.061 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.813 3.803 0.314 1.00 0.00 C ATOM 0 H PHE A 14 -23.744 3.324 4.026 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.797 1.235 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.381 1.357 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.654 0.154 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.998 2.032 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.724 2.381 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.362 3.532 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.086 3.883 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.407 4.455 -0.309 1.00 0.00 H new ATOM 122 N MET A 15 -23.311 1.114 6.190 1.00 0.00 N ATOM 123 CA MET A 15 -22.426 0.314 7.079 1.00 0.00 C ATOM 124 C MET A 15 -23.276 -0.540 8.020 1.00 0.00 C ATOM 125 O MET A 15 -24.368 -0.166 8.397 1.00 0.00 O ATOM 126 CB MET A 15 -21.563 1.263 7.910 1.00 0.00 C ATOM 127 CG MET A 15 -20.141 1.301 7.348 1.00 0.00 C ATOM 128 SD MET A 15 -19.029 1.963 8.611 1.00 0.00 S ATOM 129 CE MET A 15 -19.703 3.641 8.642 1.00 0.00 C ATOM 0 H MET A 15 -23.441 2.086 6.472 1.00 0.00 H new ATOM 0 HA MET A 15 -21.793 -0.334 6.473 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.994 2.264 7.899 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.544 0.935 8.949 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.825 0.300 7.055 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.106 1.921 6.452 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.907 4.349 8.872 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.131 3.879 7.668 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.479 3.708 9.405 1.00 0.00 H new ATOM 130 N LYS A 16 -22.782 -1.683 8.410 1.00 0.00 N ATOM 131 CA LYS A 16 -23.567 -2.551 9.337 1.00 0.00 C ATOM 132 C LYS A 16 -22.618 -3.300 10.276 1.00 0.00 C ATOM 133 O LYS A 16 -21.606 -3.830 9.862 1.00 0.00 O ATOM 134 CB LYS A 16 -24.387 -3.561 8.532 1.00 0.00 C ATOM 135 CG LYS A 16 -25.437 -4.202 9.444 1.00 0.00 C ATOM 136 CD LYS A 16 -26.241 -5.233 8.650 1.00 0.00 C ATOM 137 CE LYS A 16 -27.213 -5.953 9.588 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.896 -7.048 8.844 1.00 0.00 N ATOM 0 H LYS A 16 -21.874 -2.053 8.130 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.239 -1.925 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.873 -3.065 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.734 -4.328 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -24.952 -4.680 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.102 -3.437 9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.790 -4.742 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -25.569 -5.953 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.676 -6.360 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.948 -5.249 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.557 -7.539 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.421 -6.647 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.188 -7.723 8.492 1.00 0.00 H new ATOM 139 N ASN A 17 -22.944 -3.352 11.541 1.00 0.00 N ATOM 140 CA ASN A 17 -22.073 -4.070 12.516 1.00 0.00 C ATOM 141 C ASN A 17 -20.627 -3.592 12.373 1.00 0.00 C ATOM 142 O ASN A 17 -19.695 -4.355 12.528 1.00 0.00 O ATOM 143 CB ASN A 17 -22.138 -5.574 12.245 1.00 0.00 C ATOM 144 CG ASN A 17 -23.557 -6.081 12.506 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.323 -5.446 13.204 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.943 -7.207 11.971 1.00 0.00 N ATOM 0 H ASN A 17 -23.780 -2.926 11.942 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.422 -3.863 13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.851 -5.781 11.214 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.429 -6.100 12.885 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.887 -7.554 12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.300 -7.740 11.385 1.00 0.00 H new ATOM 147 N GLY A 18 -20.429 -2.338 12.078 1.00 0.00 N ATOM 148 CA GLY A 18 -19.040 -1.822 11.925 1.00 0.00 C ATOM 149 C GLY A 18 -18.464 -2.329 10.604 1.00 0.00 C ATOM 150 O GLY A 18 -17.268 -2.474 10.446 1.00 0.00 O ATOM 0 H GLY A 18 -21.167 -1.649 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.039 -0.732 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.421 -2.155 12.758 1.00 0.00 H new ATOM 151 N LYS A 19 -19.313 -2.603 9.653 1.00 0.00 N ATOM 152 CA LYS A 19 -18.830 -3.106 8.338 1.00 0.00 C ATOM 153 C LYS A 19 -19.453 -2.271 7.220 1.00 0.00 C ATOM 154 O LYS A 19 -20.527 -1.725 7.367 1.00 0.00 O ATOM 155 CB LYS A 19 -19.249 -4.567 8.176 1.00 0.00 C ATOM 156 CG LYS A 19 -18.429 -5.213 7.058 1.00 0.00 C ATOM 157 CD LYS A 19 -19.341 -6.101 6.207 1.00 0.00 C ATOM 158 CE LYS A 19 -18.494 -7.120 5.442 1.00 0.00 C ATOM 159 NZ LYS A 19 -19.271 -8.379 5.267 1.00 0.00 N ATOM 0 H LYS A 19 -20.325 -2.500 9.731 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.744 -3.029 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.096 -5.106 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.312 -4.628 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.970 -4.443 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.619 -5.806 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.061 -6.616 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.912 -5.490 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.211 -6.717 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.571 -7.322 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.696 -9.072 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.520 -8.766 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.140 -8.179 4.732 1.00 0.00 H new ATOM 160 N LEU A 20 -18.787 -2.165 6.103 1.00 0.00 N ATOM 161 CA LEU A 20 -19.345 -1.359 4.979 1.00 0.00 C ATOM 162 C LEU A 20 -20.131 -2.275 4.035 1.00 0.00 C ATOM 163 O LEU A 20 -19.565 -2.943 3.191 1.00 0.00 O ATOM 164 CB LEU A 20 -18.195 -0.701 4.209 1.00 0.00 C ATOM 165 CG LEU A 20 -18.716 0.489 3.396 1.00 0.00 C ATOM 166 CD1 LEU A 20 -17.572 1.085 2.575 1.00 0.00 C ATOM 167 CD2 LEU A 20 -19.819 0.025 2.447 1.00 0.00 C ATOM 0 H LEU A 20 -17.883 -2.600 5.920 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.008 -0.590 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.426 -0.366 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.729 -1.429 3.545 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.114 1.240 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.942 1.931 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.780 1.421 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.177 0.328 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -20.186 0.875 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -19.421 -0.729 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -20.639 -0.403 3.024 1.00 0.00 H new ATOM 168 N PHE A 21 -21.429 -2.310 4.167 1.00 0.00 N ATOM 169 CA PHE A 21 -22.244 -3.179 3.273 1.00 0.00 C ATOM 170 C PHE A 21 -22.547 -2.422 1.978 1.00 0.00 C ATOM 171 O PHE A 21 -23.669 -2.036 1.715 1.00 0.00 O ATOM 172 CB PHE A 21 -23.551 -3.558 3.973 1.00 0.00 C ATOM 173 CG PHE A 21 -23.317 -4.780 4.829 1.00 0.00 C ATOM 174 CD1 PHE A 21 -22.672 -4.657 6.065 1.00 0.00 C ATOM 175 CD2 PHE A 21 -23.741 -6.038 4.384 1.00 0.00 C ATOM 176 CE1 PHE A 21 -22.450 -5.791 6.856 1.00 0.00 C ATOM 177 CE2 PHE A 21 -23.521 -7.172 5.174 1.00 0.00 C ATOM 178 CZ PHE A 21 -22.875 -7.049 6.411 1.00 0.00 C ATOM 0 H PHE A 21 -21.959 -1.775 4.855 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.691 -4.089 3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -23.902 -2.730 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.328 -3.759 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.345 -3.687 6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -24.238 -6.133 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -21.951 -5.695 7.809 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -23.849 -8.142 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 21 -22.705 -7.924 7.021 1.00 0.00 H new ATOM 179 N CYS A 22 -21.544 -2.204 1.174 1.00 0.00 N ATOM 180 CA CYS A 22 -21.745 -1.466 -0.104 1.00 0.00 C ATOM 181 C CYS A 22 -22.895 -2.086 -0.900 1.00 0.00 C ATOM 182 O CYS A 22 -22.794 -3.188 -1.401 1.00 0.00 O ATOM 183 CB CYS A 22 -20.461 -1.544 -0.928 1.00 0.00 C ATOM 184 SG CYS A 22 -19.826 -3.237 -0.890 1.00 0.00 S ATOM 0 H CYS A 22 -20.586 -2.508 1.349 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.989 -0.427 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.657 -1.240 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -19.717 -0.855 -0.528 1.00 0.00 H new ATOM 185 N PRO A 23 -24.008 -1.347 -1.026 1.00 0.00 N ATOM 186 CA PRO A 23 -25.181 -1.808 -1.771 1.00 0.00 C ATOM 187 C PRO A 23 -24.975 -1.665 -3.283 1.00 0.00 C ATOM 188 O PRO A 23 -24.001 -1.094 -3.733 1.00 0.00 O ATOM 189 CB PRO A 23 -26.291 -0.867 -1.310 1.00 0.00 C ATOM 190 CG PRO A 23 -25.591 0.382 -0.879 1.00 0.00 C ATOM 191 CD PRO A 23 -24.203 -0.009 -0.444 1.00 0.00 C ATOM 0 HA PRO A 23 -25.395 -2.861 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.996 -0.665 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.861 -1.302 -0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.549 1.101 -1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.129 0.861 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.457 0.697 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.117 -0.030 0.642 1.00 0.00 H new ATOM 192 N GLN A 24 -25.881 -2.176 -4.070 1.00 0.00 N ATOM 193 CA GLN A 24 -25.729 -2.061 -5.549 1.00 0.00 C ATOM 194 C GLN A 24 -26.594 -0.908 -6.062 1.00 0.00 C ATOM 195 O GLN A 24 -27.807 -0.950 -5.992 1.00 0.00 O ATOM 196 CB GLN A 24 -26.173 -3.366 -6.214 1.00 0.00 C ATOM 197 CG GLN A 24 -25.817 -3.325 -7.701 1.00 0.00 C ATOM 198 CD GLN A 24 -26.153 -4.672 -8.345 1.00 0.00 C ATOM 199 OE1 GLN A 24 -26.508 -5.612 -7.663 1.00 0.00 O ATOM 200 NE2 GLN A 24 -26.055 -4.805 -9.639 1.00 0.00 N ATOM 0 H GLN A 24 -26.718 -2.667 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.684 -1.869 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -25.685 -4.215 -5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -27.247 -3.503 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.369 -2.526 -8.196 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -24.757 -3.105 -7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -25.757 -4.015 -10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -26.277 -5.699 -10.078 1.00 0.00 H new ATOM 201 N ASP A 25 -25.981 0.124 -6.574 1.00 0.00 N ATOM 202 CA ASP A 25 -26.768 1.281 -7.088 1.00 0.00 C ATOM 203 C ASP A 25 -27.001 1.115 -8.591 1.00 0.00 C ATOM 204 O ASP A 25 -26.170 0.588 -9.303 1.00 0.00 O ATOM 205 CB ASP A 25 -25.996 2.577 -6.830 1.00 0.00 C ATOM 206 CG ASP A 25 -25.857 2.797 -5.322 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.539 2.110 -4.578 1.00 0.00 O ATOM 208 OD2 ASP A 25 -25.073 3.647 -4.938 1.00 0.00 O ATOM 0 H ASP A 25 -24.969 0.216 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.729 1.322 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -25.011 2.524 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.517 3.420 -7.285 1.00 0.00 H new ATOM 209 N LYS A 26 -28.126 1.561 -9.079 1.00 0.00 N ATOM 210 CA LYS A 26 -28.412 1.428 -10.536 1.00 0.00 C ATOM 211 C LYS A 26 -27.415 2.274 -11.331 1.00 0.00 C ATOM 212 O LYS A 26 -27.080 1.962 -12.457 1.00 0.00 O ATOM 213 CB LYS A 26 -29.834 1.913 -10.823 1.00 0.00 C ATOM 214 CG LYS A 26 -30.837 1.003 -10.110 1.00 0.00 C ATOM 215 CD LYS A 26 -32.259 1.441 -10.463 1.00 0.00 C ATOM 216 CE LYS A 26 -33.264 0.608 -9.664 1.00 0.00 C ATOM 217 NZ LYS A 26 -33.220 -0.806 -10.133 1.00 0.00 N ATOM 0 H LYS A 26 -28.860 2.012 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.318 0.383 -10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.954 2.942 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.022 1.908 -11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.680 -0.034 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.687 1.052 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.390 2.500 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.435 1.315 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.030 0.657 -8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -34.268 1.013 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -34.050 -1.318 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -33.227 -0.827 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -32.353 -1.261 -9.783 1.00 0.00 H new ATOM 218 N LYS A 27 -26.938 3.345 -10.756 1.00 0.00 N ATOM 219 CA LYS A 27 -25.964 4.209 -11.482 1.00 0.00 C ATOM 220 C LYS A 27 -24.543 3.701 -11.229 1.00 0.00 C ATOM 221 O LYS A 27 -24.147 3.475 -10.103 1.00 0.00 O ATOM 222 CB LYS A 27 -26.089 5.650 -10.983 1.00 0.00 C ATOM 223 CG LYS A 27 -26.097 6.603 -12.179 1.00 0.00 C ATOM 224 CD LYS A 27 -26.399 8.024 -11.698 1.00 0.00 C ATOM 225 CE LYS A 27 -25.253 8.518 -10.814 1.00 0.00 C ATOM 226 NZ LYS A 27 -25.808 9.100 -9.560 1.00 0.00 N ATOM 0 H LYS A 27 -27.180 3.658 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.175 4.176 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.005 5.768 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.259 5.890 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.132 6.576 -12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.846 6.286 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.526 8.689 -12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.335 8.039 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -24.580 7.694 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.666 9.266 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.029 9.436 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.433 9.897 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.350 8.373 -9.050 1.00 0.00 H new ATOM 227 N PRO A 28 -23.766 3.518 -12.306 1.00 0.00 N ATOM 228 CA PRO A 28 -22.383 3.034 -12.214 1.00 0.00 C ATOM 229 C PRO A 28 -21.446 4.084 -11.613 1.00 0.00 C ATOM 230 O PRO A 28 -21.594 5.268 -11.842 1.00 0.00 O ATOM 231 CB PRO A 28 -22.000 2.768 -13.669 1.00 0.00 C ATOM 232 CG PRO A 28 -22.886 3.667 -14.462 1.00 0.00 C ATOM 233 CD PRO A 28 -24.176 3.769 -13.697 1.00 0.00 C ATOM 0 HA PRO A 28 -22.301 2.160 -11.568 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.948 2.989 -13.849 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.156 1.723 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.430 4.649 -14.589 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.057 3.263 -15.460 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.634 4.752 -13.810 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.906 3.036 -14.040 1.00 0.00 H new ATOM 234 N ILE A 29 -20.478 3.657 -10.847 1.00 0.00 N ATOM 235 CA ILE A 29 -19.526 4.625 -10.236 1.00 0.00 C ATOM 236 C ILE A 29 -18.137 4.404 -10.837 1.00 0.00 C ATOM 237 O ILE A 29 -17.575 3.332 -10.749 1.00 0.00 O ATOM 238 CB ILE A 29 -19.494 4.417 -8.707 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.521 5.341 -8.055 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.106 4.742 -8.135 1.00 0.00 C ATOM 241 CD1 ILE A 29 -20.034 6.787 -8.170 1.00 0.00 C ATOM 0 H ILE A 29 -20.306 2.678 -10.619 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.844 5.647 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 29 -19.725 3.373 -8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -21.490 5.230 -8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -20.658 5.072 -7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.112 4.587 -7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.362 4.089 -8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.858 5.781 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.761 7.454 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.074 6.889 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.919 7.050 -9.222 1.00 0.00 H new ATOM 242 N GLN A 30 -17.574 5.413 -11.437 1.00 0.00 N ATOM 243 CA GLN A 30 -16.218 5.256 -12.025 1.00 0.00 C ATOM 244 C GLN A 30 -15.187 5.638 -10.967 1.00 0.00 C ATOM 245 O GLN A 30 -14.846 6.791 -10.800 1.00 0.00 O ATOM 246 CB GLN A 30 -16.076 6.165 -13.244 1.00 0.00 C ATOM 247 CG GLN A 30 -14.637 6.106 -13.761 1.00 0.00 C ATOM 248 CD GLN A 30 -14.528 6.909 -15.059 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.623 8.120 -15.046 1.00 0.00 O ATOM 250 NE2 GLN A 30 -14.331 6.281 -16.185 1.00 0.00 N ATOM 0 H GLN A 30 -17.993 6.337 -11.545 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.062 4.224 -12.340 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.768 5.852 -14.026 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.337 7.190 -12.979 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -13.954 6.509 -13.013 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.344 5.071 -13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.251 5.264 -16.195 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.257 6.807 -17.056 1.00 0.00 H new ATOM 251 N SER A 31 -14.703 4.673 -10.239 1.00 0.00 N ATOM 252 CA SER A 31 -13.710 4.968 -9.171 1.00 0.00 C ATOM 253 C SER A 31 -12.318 5.143 -9.786 1.00 0.00 C ATOM 254 O SER A 31 -12.034 4.653 -10.860 1.00 0.00 O ATOM 255 CB SER A 31 -13.696 3.807 -8.173 1.00 0.00 C ATOM 256 OG SER A 31 -12.516 3.037 -8.349 1.00 0.00 O ATOM 0 H SER A 31 -14.953 3.689 -10.338 1.00 0.00 H new ATOM 0 HA SER A 31 -13.984 5.890 -8.659 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.742 4.191 -7.154 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.576 3.180 -8.318 1.00 0.00 H new ATOM 0 HG SER A 31 -12.695 2.302 -8.971 1.00 0.00 H new ATOM 257 N LEU A 32 -11.454 5.852 -9.111 1.00 0.00 N ATOM 258 CA LEU A 32 -10.082 6.079 -9.649 1.00 0.00 C ATOM 259 C LEU A 32 -9.135 4.989 -9.139 1.00 0.00 C ATOM 260 O LEU A 32 -8.021 4.858 -9.605 1.00 0.00 O ATOM 261 CB LEU A 32 -9.577 7.446 -9.181 1.00 0.00 C ATOM 262 CG LEU A 32 -9.803 7.581 -7.673 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.484 7.934 -6.984 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.828 8.687 -7.406 1.00 0.00 C ATOM 0 H LEU A 32 -11.640 6.285 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.113 6.047 -10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.517 7.553 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.101 8.241 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.176 6.635 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.648 8.029 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.754 7.147 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.108 8.878 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.989 8.783 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.456 9.632 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.770 8.435 -7.893 1.00 0.00 H new ATOM 265 N ASP A 33 -9.565 4.208 -8.188 1.00 0.00 N ATOM 266 CA ASP A 33 -8.684 3.132 -7.651 1.00 0.00 C ATOM 267 C ASP A 33 -8.494 2.048 -8.714 1.00 0.00 C ATOM 268 O ASP A 33 -7.724 1.124 -8.541 1.00 0.00 O ATOM 269 CB ASP A 33 -9.333 2.516 -6.411 1.00 0.00 C ATOM 270 CG ASP A 33 -8.310 1.653 -5.671 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.150 1.689 -6.048 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.704 0.970 -4.740 1.00 0.00 O ATOM 0 H ASP A 33 -10.488 4.268 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.715 3.555 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.704 3.302 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.192 1.911 -6.700 1.00 0.00 H new ATOM 273 N GLY A 34 -9.193 2.149 -9.811 1.00 0.00 N ATOM 274 CA GLY A 34 -9.057 1.120 -10.879 1.00 0.00 C ATOM 275 C GLY A 34 -10.282 0.204 -10.854 1.00 0.00 C ATOM 276 O GLY A 34 -10.344 -0.785 -11.557 1.00 0.00 O ATOM 0 H GLY A 34 -9.853 2.900 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.967 1.600 -11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.149 0.537 -10.725 1.00 0.00 H new ATOM 277 N ILE A 35 -11.260 0.526 -10.050 1.00 0.00 N ATOM 278 CA ILE A 35 -12.481 -0.324 -9.982 1.00 0.00 C ATOM 279 C ILE A 35 -13.715 0.555 -10.200 1.00 0.00 C ATOM 280 O ILE A 35 -13.720 1.726 -9.875 1.00 0.00 O ATOM 281 CB ILE A 35 -12.573 -0.995 -8.607 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.188 -1.472 -8.165 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.518 -2.196 -8.692 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.134 -1.521 -6.636 1.00 0.00 C ATOM 0 H ILE A 35 -11.265 1.342 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.431 -1.093 -10.753 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.953 -0.275 -7.882 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.981 -2.459 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.420 -0.799 -8.546 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.586 -2.676 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.508 -1.859 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.134 -2.910 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.148 -1.861 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.323 -0.526 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.892 -2.212 -6.267 1.00 0.00 H new ATOM 285 N MET A 36 -14.760 0.002 -10.750 1.00 0.00 N ATOM 286 CA MET A 36 -15.990 0.810 -10.990 1.00 0.00 C ATOM 287 C MET A 36 -16.968 0.619 -9.827 1.00 0.00 C ATOM 288 O MET A 36 -17.509 -0.451 -9.632 1.00 0.00 O ATOM 289 CB MET A 36 -16.655 0.348 -12.288 1.00 0.00 C ATOM 290 CG MET A 36 -15.692 0.557 -13.457 1.00 0.00 C ATOM 291 SD MET A 36 -16.514 0.106 -15.005 1.00 0.00 S ATOM 292 CE MET A 36 -16.708 -1.658 -14.651 1.00 0.00 C ATOM 0 H MET A 36 -14.816 -0.973 -11.044 1.00 0.00 H new ATOM 0 HA MET A 36 -15.720 1.863 -11.068 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.930 -0.704 -12.214 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.575 0.907 -12.457 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.369 1.597 -13.494 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.797 -0.050 -13.318 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.792 -2.210 -15.587 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.841 -2.015 -14.096 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.608 -1.813 -14.056 1.00 0.00 H new ATOM 293 N PHE A 37 -17.203 1.650 -9.062 1.00 0.00 N ATOM 294 CA PHE A 37 -18.157 1.538 -7.921 1.00 0.00 C ATOM 295 C PHE A 37 -17.594 0.591 -6.863 1.00 0.00 C ATOM 296 O PHE A 37 -17.335 0.981 -5.742 1.00 0.00 O ATOM 297 CB PHE A 37 -19.495 1.007 -8.438 1.00 0.00 C ATOM 298 CG PHE A 37 -20.507 0.980 -7.316 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.530 -0.099 -6.424 1.00 0.00 C ATOM 300 CD2 PHE A 37 -21.425 2.027 -7.170 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.469 -0.130 -5.387 1.00 0.00 C ATOM 302 CE2 PHE A 37 -22.363 1.997 -6.132 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.385 0.918 -5.240 1.00 0.00 C ATOM 0 H PHE A 37 -16.774 2.568 -9.178 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.304 2.519 -7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.857 1.637 -9.250 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.365 0.005 -8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.823 -0.908 -6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -21.409 2.858 -7.859 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.487 -0.963 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -23.070 2.806 -6.019 1.00 0.00 H new ATOM 0 HZ PHE A 37 -23.109 0.894 -4.439 1.00 0.00 H new ATOM 304 N ILE A 38 -17.406 -0.650 -7.208 1.00 0.00 N ATOM 305 CA ILE A 38 -16.863 -1.625 -6.221 1.00 0.00 C ATOM 306 C ILE A 38 -15.712 -0.985 -5.440 1.00 0.00 C ATOM 307 O ILE A 38 -15.427 -1.363 -4.321 1.00 0.00 O ATOM 308 CB ILE A 38 -16.351 -2.868 -6.951 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.507 -3.533 -7.703 1.00 0.00 C ATOM 310 CG2 ILE A 38 -15.770 -3.853 -5.934 1.00 0.00 C ATOM 311 CD1 ILE A 38 -18.724 -3.640 -6.782 1.00 0.00 C ATOM 0 H ILE A 38 -17.605 -1.033 -8.132 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.656 -1.910 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.576 -2.578 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -17.759 -2.952 -8.590 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.209 -4.524 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.405 -4.739 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.946 -3.380 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.545 -4.142 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -19.546 -4.114 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.468 -4.240 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -19.027 -2.643 -6.462 1.00 0.00 H new ATOM 312 N ASN A 39 -15.046 -0.021 -6.016 1.00 0.00 N ATOM 313 CA ASN A 39 -13.918 0.629 -5.292 1.00 0.00 C ATOM 314 C ASN A 39 -14.427 1.201 -3.972 1.00 0.00 C ATOM 315 O ASN A 39 -13.874 0.939 -2.924 1.00 0.00 O ATOM 316 CB ASN A 39 -13.336 1.765 -6.132 1.00 0.00 C ATOM 317 CG ASN A 39 -12.110 2.336 -5.415 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.257 1.596 -4.964 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.987 3.628 -5.282 1.00 0.00 N ATOM 0 H ASN A 39 -15.233 0.342 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.144 -0.115 -5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.058 1.398 -7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.083 2.545 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.176 4.016 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.702 4.250 -5.660 1.00 0.00 H new ATOM 320 N LYS A 40 -15.473 1.983 -4.012 1.00 0.00 N ATOM 321 CA LYS A 40 -16.008 2.570 -2.756 1.00 0.00 C ATOM 322 C LYS A 40 -16.028 1.491 -1.676 1.00 0.00 C ATOM 323 O LYS A 40 -15.704 1.733 -0.535 1.00 0.00 O ATOM 324 CB LYS A 40 -17.430 3.084 -2.991 1.00 0.00 C ATOM 325 CG LYS A 40 -17.409 4.215 -4.023 1.00 0.00 C ATOM 326 CD LYS A 40 -18.758 4.938 -4.010 1.00 0.00 C ATOM 327 CE LYS A 40 -18.759 6.046 -5.063 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.688 7.131 -4.641 1.00 0.00 N ATOM 0 H LYS A 40 -15.977 2.239 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.377 3.400 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.067 2.272 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.856 3.442 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.606 4.916 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.209 3.813 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.562 4.231 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.945 5.361 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.752 6.443 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.066 5.644 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.472 7.999 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.669 6.842 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.573 7.310 -3.623 1.00 0.00 H new ATOM 329 N CYS A 41 -16.405 0.301 -2.038 1.00 0.00 N ATOM 330 CA CYS A 41 -16.452 -0.806 -1.043 1.00 0.00 C ATOM 331 C CYS A 41 -15.032 -1.229 -0.678 1.00 0.00 C ATOM 332 O CYS A 41 -14.706 -1.414 0.476 1.00 0.00 O ATOM 333 CB CYS A 41 -17.187 -1.995 -1.658 1.00 0.00 C ATOM 334 SG CYS A 41 -17.896 -3.018 -0.344 1.00 0.00 S ATOM 0 H CYS A 41 -16.685 0.044 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.971 -0.469 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -17.975 -1.643 -2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.500 -2.587 -2.262 1.00 0.00 H new ATOM 335 N ALA A 42 -14.185 -1.394 -1.655 1.00 0.00 N ATOM 336 CA ALA A 42 -12.786 -1.816 -1.367 1.00 0.00 C ATOM 337 C ALA A 42 -11.983 -0.632 -0.826 1.00 0.00 C ATOM 338 O ALA A 42 -10.919 -0.801 -0.264 1.00 0.00 O ATOM 339 CB ALA A 42 -12.134 -2.321 -2.653 1.00 0.00 C ATOM 0 H ALA A 42 -14.401 -1.255 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.800 -2.611 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.110 -2.630 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.698 -3.170 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.128 -1.523 -3.395 1.00 0.00 H new ATOM 340 N THR A 43 -12.473 0.564 -0.995 1.00 0.00 N ATOM 341 CA THR A 43 -11.721 1.746 -0.493 1.00 0.00 C ATOM 342 C THR A 43 -12.381 2.279 0.778 1.00 0.00 C ATOM 343 O THR A 43 -11.728 2.491 1.780 1.00 0.00 O ATOM 344 CB THR A 43 -11.715 2.842 -1.561 1.00 0.00 C ATOM 345 OG1 THR A 43 -11.961 2.262 -2.835 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.353 3.539 -1.571 1.00 0.00 C ATOM 0 H THR A 43 -13.358 0.773 -1.457 1.00 0.00 H new ATOM 0 HA THR A 43 -10.696 1.449 -0.270 1.00 0.00 H new ATOM 0 HB THR A 43 -12.493 3.572 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.108 2.054 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.349 4.319 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.165 3.984 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.573 2.811 -1.794 1.00 0.00 H new ATOM 347 N CYS A 44 -13.667 2.505 0.752 1.00 0.00 N ATOM 348 CA CYS A 44 -14.342 3.033 1.969 1.00 0.00 C ATOM 349 C CYS A 44 -14.280 1.996 3.088 1.00 0.00 C ATOM 350 O CYS A 44 -14.255 2.336 4.254 1.00 0.00 O ATOM 351 CB CYS A 44 -15.801 3.374 1.659 1.00 0.00 C ATOM 352 SG CYS A 44 -15.848 4.734 0.466 1.00 0.00 S ATOM 0 H CYS A 44 -14.274 2.348 -0.053 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.829 3.939 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.314 2.501 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.324 3.657 2.573 1.00 0.00 H new ATOM 353 N LYS A 45 -14.239 0.733 2.757 1.00 0.00 N ATOM 354 CA LYS A 45 -14.163 -0.294 3.833 1.00 0.00 C ATOM 355 C LYS A 45 -12.942 0.006 4.698 1.00 0.00 C ATOM 356 O LYS A 45 -12.961 -0.154 5.901 1.00 0.00 O ATOM 357 CB LYS A 45 -14.022 -1.687 3.216 1.00 0.00 C ATOM 358 CG LYS A 45 -15.396 -2.356 3.141 1.00 0.00 C ATOM 359 CD LYS A 45 -15.233 -3.798 2.657 1.00 0.00 C ATOM 360 CE LYS A 45 -16.584 -4.333 2.179 1.00 0.00 C ATOM 361 NZ LYS A 45 -17.073 -5.366 3.134 1.00 0.00 N ATOM 0 H LYS A 45 -14.255 0.373 1.803 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.071 -0.268 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.588 -1.612 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.343 -2.294 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.874 -2.341 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.045 -1.804 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.506 -3.840 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.848 -4.422 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.305 -3.519 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.486 -4.761 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.810 -5.940 2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.282 -5.980 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.468 -4.901 3.976 1.00 0.00 H new ATOM 362 N MET A 46 -11.885 0.460 4.085 1.00 0.00 N ATOM 363 CA MET A 46 -10.660 0.796 4.856 1.00 0.00 C ATOM 364 C MET A 46 -10.803 2.213 5.412 1.00 0.00 C ATOM 365 O MET A 46 -10.150 2.590 6.364 1.00 0.00 O ATOM 366 CB MET A 46 -9.443 0.725 3.930 1.00 0.00 C ATOM 367 CG MET A 46 -9.274 -0.707 3.420 1.00 0.00 C ATOM 368 SD MET A 46 -7.759 -0.823 2.436 1.00 0.00 S ATOM 369 CE MET A 46 -8.150 0.496 1.261 1.00 0.00 C ATOM 0 H MET A 46 -11.818 0.613 3.079 1.00 0.00 H new ATOM 0 HA MET A 46 -10.527 0.090 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.571 1.409 3.091 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.547 1.040 4.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.229 -1.400 4.260 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.135 -0.993 2.816 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.652 0.298 0.312 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.228 0.535 1.103 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.806 1.451 1.659 1.00 0.00 H new ATOM 370 N ILE A 47 -11.665 2.999 4.822 1.00 0.00 N ATOM 371 CA ILE A 47 -11.867 4.391 5.312 1.00 0.00 C ATOM 372 C ILE A 47 -12.849 4.371 6.484 1.00 0.00 C ATOM 373 O ILE A 47 -12.767 5.178 7.387 1.00 0.00 O ATOM 374 CB ILE A 47 -12.437 5.254 4.184 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.416 5.349 3.046 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.745 6.657 4.711 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.062 5.787 3.608 1.00 0.00 C ATOM 0 H ILE A 47 -12.238 2.735 4.021 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.913 4.807 5.637 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.355 4.799 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.320 4.384 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.758 6.062 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.151 7.268 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.475 6.590 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.829 7.114 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.336 5.854 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.164 6.762 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.720 5.058 4.342 1.00 0.00 H new ATOM 378 N LEU A 48 -13.777 3.451 6.479 1.00 0.00 N ATOM 379 CA LEU A 48 -14.756 3.386 7.597 1.00 0.00 C ATOM 380 C LEU A 48 -14.112 2.673 8.786 1.00 0.00 C ATOM 381 O LEU A 48 -14.479 2.885 9.925 1.00 0.00 O ATOM 382 CB LEU A 48 -16.007 2.620 7.149 1.00 0.00 C ATOM 383 CG LEU A 48 -16.624 3.292 5.912 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.091 2.877 5.782 1.00 0.00 C ATOM 385 CD2 LEU A 48 -16.539 4.816 6.047 1.00 0.00 C ATOM 0 H LEU A 48 -13.897 2.746 5.752 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.045 4.396 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.747 1.587 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.736 2.593 7.959 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.073 2.978 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.528 3.354 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.155 1.794 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.637 3.187 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.978 5.284 5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.083 5.133 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.495 5.116 6.134 1.00 0.00 H new ATOM 386 N GLU A 49 -13.143 1.835 8.533 1.00 0.00 N ATOM 387 CA GLU A 49 -12.466 1.121 9.650 1.00 0.00 C ATOM 388 C GLU A 49 -11.529 2.096 10.363 1.00 0.00 C ATOM 389 O GLU A 49 -11.337 2.028 11.561 1.00 0.00 O ATOM 390 CB GLU A 49 -11.657 -0.052 9.093 1.00 0.00 C ATOM 391 CG GLU A 49 -12.607 -1.183 8.694 1.00 0.00 C ATOM 392 CD GLU A 49 -11.795 -2.363 8.155 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.590 -2.222 8.033 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.394 -3.388 7.872 1.00 0.00 O ATOM 0 H GLU A 49 -12.792 1.615 7.601 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.209 0.741 10.351 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.076 0.271 8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.947 -0.406 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.198 -1.497 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.308 -0.833 7.936 1.00 0.00 H new ATOM 395 N LYS A 50 -10.949 3.008 9.632 1.00 0.00 N ATOM 396 CA LYS A 50 -10.030 3.997 10.259 1.00 0.00 C ATOM 397 C LYS A 50 -10.772 4.739 11.371 1.00 0.00 C ATOM 398 O LYS A 50 -10.216 5.043 12.408 1.00 0.00 O ATOM 399 CB LYS A 50 -9.564 4.998 9.200 1.00 0.00 C ATOM 400 CG LYS A 50 -8.530 5.948 9.810 1.00 0.00 C ATOM 401 CD LYS A 50 -8.108 6.979 8.762 1.00 0.00 C ATOM 402 CE LYS A 50 -6.948 7.815 9.308 1.00 0.00 C ATOM 403 NZ LYS A 50 -5.670 7.348 8.701 1.00 0.00 N ATOM 0 H LYS A 50 -11.073 3.110 8.625 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.165 3.482 10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.130 4.469 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.415 5.565 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.950 6.450 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.662 5.386 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.807 6.477 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.950 7.625 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.107 8.869 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.901 7.726 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.882 7.916 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.518 6.347 8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.717 7.455 7.668 1.00 0.00 H new ATOM 404 N GLU A 51 -12.029 5.027 11.164 1.00 0.00 N ATOM 405 CA GLU A 51 -12.811 5.745 12.208 1.00 0.00 C ATOM 406 C GLU A 51 -12.828 4.913 13.491 1.00 0.00 C ATOM 407 O GLU A 51 -12.819 5.441 14.586 1.00 0.00 O ATOM 408 CB GLU A 51 -14.245 5.952 11.716 1.00 0.00 C ATOM 409 CG GLU A 51 -14.235 6.863 10.486 1.00 0.00 C ATOM 410 CD GLU A 51 -15.673 7.118 10.029 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.563 6.461 10.544 1.00 0.00 O ATOM 412 OE2 GLU A 51 -15.858 7.964 9.170 1.00 0.00 O ATOM 0 H GLU A 51 -12.547 4.795 10.316 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.351 6.713 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.698 4.992 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.851 6.396 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.745 7.807 10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.663 6.400 9.682 1.00 0.00 H new ATOM 413 N ALA A 52 -12.851 3.614 13.366 1.00 0.00 N ATOM 414 CA ALA A 52 -12.867 2.747 14.578 1.00 0.00 C ATOM 415 C ALA A 52 -11.570 2.951 15.364 1.00 0.00 C ATOM 416 O ALA A 52 -11.528 2.777 16.566 1.00 0.00 O ATOM 417 CB ALA A 52 -12.983 1.282 14.155 1.00 0.00 C ATOM 0 H ALA A 52 -12.859 3.116 12.476 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.718 3.011 15.205 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.995 0.647 15.041 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.906 1.138 13.593 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.131 1.015 13.529 1.00 0.00 H new ATOM 418 N LYS A 53 -10.512 3.320 14.695 1.00 0.00 N ATOM 419 CA LYS A 53 -9.220 3.536 15.404 1.00 0.00 C ATOM 420 C LYS A 53 -9.388 4.650 16.439 1.00 0.00 C ATOM 421 O LYS A 53 -8.782 4.629 17.492 1.00 0.00 O ATOM 422 CB LYS A 53 -8.145 3.937 14.392 1.00 0.00 C ATOM 423 CG LYS A 53 -6.793 4.050 15.101 1.00 0.00 C ATOM 424 CD LYS A 53 -5.738 4.548 14.110 1.00 0.00 C ATOM 425 CE LYS A 53 -4.356 4.484 14.763 1.00 0.00 C ATOM 426 NZ LYS A 53 -3.658 3.241 14.329 1.00 0.00 N ATOM 0 H LYS A 53 -10.487 3.481 13.688 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.921 2.616 15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.088 3.197 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.405 4.888 13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.869 4.737 15.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.500 3.081 15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.754 3.937 13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.962 5.571 13.807 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.769 5.359 14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.454 4.499 15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.718 3.197 14.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.216 2.411 14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.552 3.245 13.294 1.00 0.00 H new ATOM 427 N SER A 54 -10.209 5.622 16.148 1.00 0.00 N ATOM 428 CA SER A 54 -10.416 6.737 17.115 1.00 0.00 C ATOM 429 C SER A 54 -11.036 6.186 18.402 1.00 0.00 C ATOM 430 O SER A 54 -10.865 6.738 19.470 1.00 0.00 O ATOM 431 CB SER A 54 -11.357 7.776 16.501 1.00 0.00 C ATOM 432 OG SER A 54 -10.852 8.185 15.239 1.00 0.00 O ATOM 0 H SER A 54 -10.745 5.692 15.283 1.00 0.00 H new ATOM 0 HA SER A 54 -9.458 7.204 17.343 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.356 7.355 16.386 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.449 8.636 17.164 1.00 0.00 H new ATOM 0 HG SER A 54 -11.455 8.849 14.845 1.00 0.00 H new ATOM 433 N GLN A 55 -11.752 5.100 18.307 1.00 0.00 N ATOM 434 CA GLN A 55 -12.381 4.513 19.524 1.00 0.00 C ATOM 435 C GLN A 55 -12.571 3.009 19.325 1.00 0.00 C ATOM 436 O GLN A 55 -13.610 2.625 18.812 1.00 0.00 O ATOM 437 CB GLN A 55 -13.741 5.172 19.763 1.00 0.00 C ATOM 438 CG GLN A 55 -13.542 6.660 20.061 1.00 0.00 C ATOM 439 CD GLN A 55 -14.903 7.320 20.292 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.929 6.754 19.969 1.00 0.00 O ATOM 441 NE2 GLN A 55 -14.956 8.502 20.842 1.00 0.00 N ATOM 442 OXT GLN A 55 -11.675 2.264 19.689 1.00 0.00 O ATOM 0 H GLN A 55 -11.929 4.593 17.440 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.737 4.686 20.386 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.376 5.048 18.886 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.250 4.688 20.597 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.911 6.784 20.941 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.028 7.143 19.230 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.095 8.977 21.113 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.858 8.951 21.001 1.00 0.00 H new TER 443 GLN A 55