USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=31 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 77 SER OG : rot -110:sc= 1.35 USER MOD Set 1.2: A 80 ASN : amide:sc= 1.14 K(o=2.5,f=-0.38) USER MOD Set 2.1: A 50 CYS SG : rot -42:sc= -1.87! USER MOD Set 2.2: A 63 CYS SG : rot 160:sc= -3.91! USER MOD Set 3.1: A 44 CYS SG : rot -148:sc= -0.559 USER MOD Set 3.2: A 60 CYS SG : rot -90:sc= -1.65! USER MOD Set 4.1: A 40 MET CE :methyl -116:sc= -0.149 (180deg=-2.18!) USER MOD Set 4.2: A 42 TYR OH : rot 30:sc= 0.325 USER MOD Set 4.3: A 66 GLN : amide:sc= -1.31! K(o=-1.1!,f=-2.8) USER MOD Set 5.1: A 38 LYS NZ :NH3+ 141:sc= 0.46 (180deg=-2.32!) USER MOD Set 5.2: A 39 ASN :FLIP amide:sc= -3.2! C(o=-16!,f=-2.7!) USER MOD Set 6.1: A 37 GLN : amide:sc= 0.492 K(o=-6.5,f=-12) USER MOD Set 6.2: A 75 LYS NZ :NH3+ 164:sc= -6.96! (180deg=-7.38!) USER MOD Set 7.1: A 35 SER OG : rot -80:sc= 1.07 USER MOD Set 7.2: A 61 GLN :FLIP amide:sc= 1.22 F(o=-1.7!,f=2.3) USER MOD Set 8.1: A 8 CYS SG : rot -62:sc= -1.98! USER MOD Set 8.2: A 11 CYS SG : rot -30:sc= 0.0742 USER MOD Set 8.3: A 25 CYS SG : rot -24:sc= 0.0228 USER MOD Set 8.4: A 28 CYS SG : rot 148:sc= 1.39 USER MOD Set 8.5: A 68 CYS SG : rot 180:sc= -0.69 USER MOD Set 9.1: A 18 TYR OH : rot -33:sc= -2.62! USER MOD Set 9.2: A 19 HIS :FLIP no HD1:sc= -0.267 F(o=-4.2,f=-2.9) USER MOD Set10.1: A 6 LYS NZ :NH3+ -177:sc= 1.62 (180deg=1.03) USER MOD Set10.2: A 12 GLN : amide:sc= -1.75! C(o=-0.12!,f=-5.9!) USER MOD Single : A 16 SER OG : rot 29:sc= -0.0633 USER MOD Single : A 20 TYR OH : rot -130:sc= -1.48 USER MOD Single : A 23 SER OG : rot -3:sc= -1.44! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -69:sc= 0.719 USER MOD Single : A 45 HIS : no HE2:sc= -0.135 K(o=-0.13,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -3.93! (180deg=-7.95!) USER MOD Single : A 49 ASN : amide:sc= -0.517 K(o=-0.52,f=-3.4) USER MOD Single : A 53 ASN : amide:sc= -4.22! X(o=-4.2!,f=-4) USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= 0.413 (180deg=-0.0252) USER MOD Single : A 56 THR OG1 : rot 73:sc= -0.0335 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -4.46! (180deg=-7.38!) USER MOD Single : A 73 MET CE :methyl 180:sc= -0.185 (180deg=-0.185) USER MOD Single : A 74 SER OG : rot -51:sc=-0.00697 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.723 10.196 0.476 1.00 0.00 N ATOM 47 CA LYS A 6 6.709 9.104 0.486 1.00 0.00 C ATOM 48 C LYS A 6 6.151 8.747 -0.898 1.00 0.00 C ATOM 49 O LYS A 6 6.173 7.559 -1.237 1.00 0.00 O ATOM 50 CB LYS A 6 5.578 9.331 1.498 1.00 0.00 C ATOM 51 CG LYS A 6 5.807 10.510 2.428 1.00 0.00 C ATOM 52 CD LYS A 6 6.535 10.119 3.727 1.00 0.00 C ATOM 53 CE LYS A 6 7.712 11.046 4.038 1.00 0.00 C ATOM 54 NZ LYS A 6 8.751 10.809 3.032 1.00 0.00 N ATOM 0 HA LYS A 6 7.273 8.234 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.645 9.485 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.453 8.428 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.389 11.270 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.846 10.961 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.829 10.142 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.896 9.094 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.392 12.088 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.098 10.850 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.585 11.391 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.019 9.804 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.388 11.063 2.091 1.00 0.00 H new ATOM 55 N PRO A 7 5.402 9.642 -1.549 1.00 0.00 N ATOM 56 CA PRO A 7 3.989 9.957 -1.270 1.00 0.00 C ATOM 57 C PRO A 7 3.044 8.820 -1.677 1.00 0.00 C ATOM 58 O PRO A 7 2.272 8.872 -2.628 1.00 0.00 O ATOM 59 CB PRO A 7 3.756 11.322 -1.914 1.00 0.00 C ATOM 60 CG PRO A 7 5.154 11.892 -2.126 1.00 0.00 C ATOM 61 CD PRO A 7 5.969 10.634 -2.434 1.00 0.00 C ATOM 0 HA PRO A 7 3.759 10.031 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.219 11.228 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.158 11.967 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.182 12.607 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.522 12.409 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.875 10.340 -3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.031 10.786 -2.240 1.00 0.00 H new ATOM 62 N CYS A 8 3.420 7.691 -1.104 1.00 0.00 N ATOM 63 CA CYS A 8 2.769 6.387 -1.295 1.00 0.00 C ATOM 64 C CYS A 8 1.705 5.799 -0.369 1.00 0.00 C ATOM 65 O CYS A 8 0.784 5.163 -0.878 1.00 0.00 O ATOM 66 CB CYS A 8 3.931 5.432 -1.458 1.00 0.00 C ATOM 67 SG CYS A 8 3.348 3.761 -1.898 1.00 0.00 S ATOM 0 H CYS A 8 4.216 7.645 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 8 2.087 6.558 -2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.604 5.801 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.503 5.389 -0.531 1.00 0.00 H new ATOM 0 HG CYS A 8 2.610 3.292 -0.936 1.00 0.00 H new ATOM 68 N PHE A 9 1.738 5.934 0.950 1.00 0.00 N ATOM 69 CA PHE A 9 2.669 6.733 1.755 1.00 0.00 C ATOM 70 C PHE A 9 3.961 5.994 2.233 1.00 0.00 C ATOM 71 O PHE A 9 4.833 6.545 2.892 1.00 0.00 O ATOM 72 CB PHE A 9 1.886 7.389 2.901 1.00 0.00 C ATOM 73 CG PHE A 9 2.664 8.218 3.900 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.712 9.596 3.626 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.912 7.717 5.203 1.00 0.00 C ATOM 76 CE1 PHE A 9 2.989 10.500 4.655 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.144 8.627 6.250 1.00 0.00 C ATOM 78 CZ PHE A 9 3.161 10.005 5.965 1.00 0.00 C ATOM 0 H PHE A 9 1.060 5.450 1.539 1.00 0.00 H new ATOM 0 HA PHE A 9 3.083 7.500 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.119 8.026 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.370 6.601 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.535 9.955 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.923 6.653 5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.070 11.558 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.307 8.274 7.257 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.310 10.705 6.774 1.00 0.00 H new ATOM 79 N VAL A 10 4.154 4.822 1.639 1.00 0.00 N ATOM 80 CA VAL A 10 5.075 3.777 2.101 1.00 0.00 C ATOM 81 C VAL A 10 6.167 3.254 1.144 1.00 0.00 C ATOM 82 O VAL A 10 7.330 3.186 1.520 1.00 0.00 O ATOM 83 CB VAL A 10 4.088 2.722 2.551 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.443 1.244 2.461 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.413 3.042 3.889 1.00 0.00 C ATOM 0 H VAL A 10 3.656 4.558 0.789 1.00 0.00 H new ATOM 0 HA VAL A 10 5.756 4.163 2.860 1.00 0.00 H new ATOM 0 HB VAL A 10 3.380 2.825 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.609 0.646 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.647 0.981 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.328 1.045 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.719 2.242 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.171 3.130 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.868 3.982 3.806 1.00 0.00 H new ATOM 86 N CYS A 11 5.797 3.113 -0.118 1.00 0.00 N ATOM 87 CA CYS A 11 6.638 2.563 -1.203 1.00 0.00 C ATOM 88 C CYS A 11 7.161 3.822 -1.906 1.00 0.00 C ATOM 89 O CYS A 11 6.534 4.553 -2.669 1.00 0.00 O ATOM 90 CB CYS A 11 5.779 1.618 -2.073 1.00 0.00 C ATOM 91 SG CYS A 11 5.907 1.771 -3.894 1.00 0.00 S ATOM 0 H CYS A 11 4.869 3.385 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 11 7.478 1.940 -0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.035 0.593 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.735 1.768 -1.798 1.00 0.00 H new ATOM 0 HG CYS A 11 6.181 3.002 -4.208 1.00 0.00 H new ATOM 92 N GLN A 12 8.299 4.123 -1.321 1.00 0.00 N ATOM 93 CA GLN A 12 8.673 5.441 -0.809 1.00 0.00 C ATOM 94 C GLN A 12 9.392 6.276 -1.875 1.00 0.00 C ATOM 95 O GLN A 12 10.609 6.194 -2.077 1.00 0.00 O ATOM 96 CB GLN A 12 9.601 5.155 0.374 1.00 0.00 C ATOM 97 CG GLN A 12 9.910 6.349 1.266 1.00 0.00 C ATOM 98 CD GLN A 12 8.734 6.850 2.120 1.00 0.00 C ATOM 99 OE1 GLN A 12 8.826 7.898 2.748 1.00 0.00 O ATOM 100 NE2 GLN A 12 7.686 6.060 2.311 1.00 0.00 N ATOM 0 H GLN A 12 9.031 3.427 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 12 7.798 6.021 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.151 4.373 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.540 4.758 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.733 6.083 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.259 7.170 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.604 5.186 1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.962 6.326 2.978 1.00 0.00 H new ATOM 124 N SER A 16 1.127 11.103 -5.190 1.00 0.00 N ATOM 125 CA SER A 16 0.029 12.055 -5.386 1.00 0.00 C ATOM 126 C SER A 16 -0.378 12.739 -4.077 1.00 0.00 C ATOM 127 O SER A 16 -0.109 12.226 -2.993 1.00 0.00 O ATOM 128 CB SER A 16 -1.245 11.443 -6.029 1.00 0.00 C ATOM 129 OG SER A 16 -0.997 11.074 -7.381 1.00 0.00 O ATOM 0 HA SER A 16 0.440 12.783 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.562 10.569 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.062 12.164 -5.987 1.00 0.00 H new ATOM 0 HG SER A 16 -0.052 10.838 -7.488 1.00 0.00 H new ATOM 130 N GLY A 17 -1.001 13.906 -4.230 1.00 0.00 N ATOM 131 CA GLY A 17 -1.332 14.819 -3.104 1.00 0.00 C ATOM 132 C GLY A 17 -2.669 15.591 -3.154 1.00 0.00 C ATOM 133 O GLY A 17 -2.671 16.725 -3.603 1.00 0.00 O ATOM 0 H GLY A 17 -1.298 14.260 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.322 14.231 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.529 15.551 -3.023 1.00 0.00 H new ATOM 134 N TYR A 18 -3.833 15.033 -2.783 1.00 0.00 N ATOM 135 CA TYR A 18 -4.126 13.602 -2.538 1.00 0.00 C ATOM 136 C TYR A 18 -5.641 13.240 -2.525 1.00 0.00 C ATOM 137 O TYR A 18 -6.490 14.111 -2.339 1.00 0.00 O ATOM 138 CB TYR A 18 -3.500 12.985 -1.267 1.00 0.00 C ATOM 139 CG TYR A 18 -3.251 11.488 -1.480 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.849 11.067 -2.776 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.912 10.590 -0.621 1.00 0.00 C ATOM 142 CE1 TYR A 18 -3.261 9.832 -3.281 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.281 9.318 -1.084 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.992 8.984 -2.416 1.00 0.00 C ATOM 145 OH TYR A 18 -4.639 7.912 -2.933 1.00 0.00 O ATOM 0 H TYR A 18 -4.660 15.611 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.641 13.163 -3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.562 13.488 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.164 13.134 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.219 11.708 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.135 10.880 0.395 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.030 9.535 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.775 8.613 -0.431 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.955 8.125 -3.836 1.00 0.00 H new ATOM 146 N HIS A 19 -5.903 11.986 -2.894 1.00 0.00 N ATOM 147 CA HIS A 19 -7.212 11.293 -2.845 1.00 0.00 C ATOM 148 C HIS A 19 -7.755 11.090 -1.409 1.00 0.00 C ATOM 149 O HIS A 19 -8.390 11.984 -0.865 1.00 0.00 O ATOM 150 CB HIS A 19 -7.042 9.949 -3.586 1.00 0.00 C ATOM 151 CG HIS A 19 -6.664 10.115 -5.067 1.00 0.00 C ATOM 152 ND1 HIS A 19 -5.584 9.593 -5.634 1.00 0.00 N flip ATOM 153 CD2 HIS A 19 -7.292 10.862 -5.971 1.00 0.00 C flip ATOM 154 CE1 HIS A 19 -5.551 10.010 -6.895 1.00 0.00 C flip ATOM 155 NE2 HIS A 19 -6.604 10.798 -7.104 1.00 0.00 N flip ATOM 0 H HIS A 19 -5.168 11.380 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.963 11.917 -3.329 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.273 9.361 -3.086 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.971 9.384 -3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.202 11.422 -5.811 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.798 9.754 -7.626 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.839 11.268 -7.978 1.00 0.00 H new ATOM 156 N TYR A 20 -7.441 9.953 -0.778 1.00 0.00 N ATOM 157 CA TYR A 20 -8.047 9.543 0.501 1.00 0.00 C ATOM 158 C TYR A 20 -7.099 9.232 1.686 1.00 0.00 C ATOM 159 O TYR A 20 -6.314 8.291 1.609 1.00 0.00 O ATOM 160 CB TYR A 20 -9.073 8.409 0.331 1.00 0.00 C ATOM 161 CG TYR A 20 -8.794 7.333 -0.742 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.603 6.562 -0.758 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.716 7.309 -1.807 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.330 5.756 -1.879 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.456 6.478 -2.918 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.268 5.716 -2.924 1.00 0.00 C ATOM 167 OH TYR A 20 -7.954 5.009 -4.045 1.00 0.00 O ATOM 0 H TYR A 20 -6.758 9.287 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.545 10.465 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.175 7.904 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.038 8.863 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.917 6.593 0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.608 7.917 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.418 5.180 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.150 6.426 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.112 5.564 -4.837 1.00 0.00 H new ATOM 168 N GLY A 21 -7.083 10.161 2.644 1.00 0.00 N ATOM 169 CA GLY A 21 -6.579 9.961 4.019 1.00 0.00 C ATOM 170 C GLY A 21 -5.050 10.042 4.245 1.00 0.00 C ATOM 171 O GLY A 21 -4.580 10.597 5.229 1.00 0.00 O ATOM 0 H GLY A 21 -7.430 11.107 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.052 10.704 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.917 8.983 4.361 1.00 0.00 H new ATOM 172 N VAL A 22 -4.330 9.561 3.243 1.00 0.00 N ATOM 173 CA VAL A 22 -2.863 9.379 3.222 1.00 0.00 C ATOM 174 C VAL A 22 -2.235 10.355 2.210 1.00 0.00 C ATOM 175 O VAL A 22 -2.734 11.445 1.964 1.00 0.00 O ATOM 176 CB VAL A 22 -2.690 7.862 2.907 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.209 7.487 1.536 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.343 7.235 2.773 1.00 0.00 C ATOM 0 H VAL A 22 -4.765 9.267 2.369 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.343 9.616 4.150 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.199 7.516 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.063 6.420 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.272 7.722 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.667 8.049 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.456 6.173 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.796 7.717 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.791 7.356 3.705 1.00 0.00 H new ATOM 179 N SER A 23 -1.041 9.982 1.794 1.00 0.00 N ATOM 180 CA SER A 23 -0.447 10.429 0.514 1.00 0.00 C ATOM 181 C SER A 23 -0.206 9.129 -0.265 1.00 0.00 C ATOM 182 O SER A 23 0.283 8.165 0.308 1.00 0.00 O ATOM 183 CB SER A 23 0.909 11.053 0.729 1.00 0.00 C ATOM 184 OG SER A 23 1.228 11.803 -0.439 1.00 0.00 O ATOM 0 H SER A 23 -0.437 9.356 2.327 1.00 0.00 H new ATOM 0 HA SER A 23 -1.093 11.155 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.899 11.698 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.661 10.284 0.907 1.00 0.00 H new ATOM 0 HG SER A 23 0.516 11.693 -1.103 1.00 0.00 H new ATOM 185 N ALA A 24 -0.804 8.999 -1.436 1.00 0.00 N ATOM 186 CA ALA A 24 -0.575 7.799 -2.267 1.00 0.00 C ATOM 187 C ALA A 24 -0.045 7.977 -3.683 1.00 0.00 C ATOM 188 O ALA A 24 -0.616 8.704 -4.494 1.00 0.00 O ATOM 189 CB ALA A 24 -1.750 6.803 -2.196 1.00 0.00 C ATOM 0 H ALA A 24 -1.441 9.686 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 24 0.296 7.366 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.533 5.939 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.889 6.477 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.660 7.288 -2.549 1.00 0.00 H new ATOM 190 N CYS A 25 0.577 6.854 -4.012 1.00 0.00 N ATOM 191 CA CYS A 25 1.549 6.634 -5.091 1.00 0.00 C ATOM 192 C CYS A 25 0.983 6.557 -6.522 1.00 0.00 C ATOM 193 O CYS A 25 1.734 6.384 -7.470 1.00 0.00 O ATOM 194 CB CYS A 25 2.081 5.253 -4.756 1.00 0.00 C ATOM 195 SG CYS A 25 3.252 4.319 -5.820 1.00 0.00 S ATOM 0 H CYS A 25 0.404 5.995 -3.490 1.00 0.00 H new ATOM 0 HA CYS A 25 2.249 7.469 -5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.558 5.339 -3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.208 4.613 -4.629 1.00 0.00 H new ATOM 0 HG CYS A 25 3.151 4.737 -7.047 1.00 0.00 H new ATOM 196 N GLU A 26 -0.288 6.949 -6.620 1.00 0.00 N ATOM 197 CA GLU A 26 -1.202 6.818 -7.792 1.00 0.00 C ATOM 198 C GLU A 26 -1.361 5.363 -8.261 1.00 0.00 C ATOM 199 O GLU A 26 -2.455 4.808 -8.138 1.00 0.00 O ATOM 200 CB GLU A 26 -1.036 7.888 -8.884 1.00 0.00 C ATOM 201 CG GLU A 26 0.327 8.069 -9.568 1.00 0.00 C ATOM 202 CD GLU A 26 0.643 7.006 -10.610 1.00 0.00 C ATOM 203 OE1 GLU A 26 0.054 7.093 -11.706 1.00 0.00 O ATOM 204 OE2 GLU A 26 1.465 6.112 -10.296 1.00 0.00 O ATOM 0 H GLU A 26 -0.755 7.401 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.194 7.080 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.766 7.674 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.311 8.847 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.356 9.049 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.108 8.061 -8.807 1.00 0.00 H new ATOM 205 N GLY A 27 -0.205 4.703 -8.382 1.00 0.00 N ATOM 206 CA GLY A 27 -0.069 3.247 -8.440 1.00 0.00 C ATOM 207 C GLY A 27 -0.749 2.621 -7.208 1.00 0.00 C ATOM 208 O GLY A 27 -1.710 1.888 -7.376 1.00 0.00 O ATOM 0 H GLY A 27 0.691 5.186 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.523 2.864 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.985 2.970 -8.468 1.00 0.00 H new ATOM 209 N CYS A 28 -0.429 3.133 -6.008 1.00 0.00 N ATOM 210 CA CYS A 28 -1.038 2.583 -4.786 1.00 0.00 C ATOM 211 C CYS A 28 -2.535 2.773 -4.576 1.00 0.00 C ATOM 212 O CYS A 28 -3.167 1.802 -4.215 1.00 0.00 O ATOM 213 CB CYS A 28 -0.294 2.736 -3.480 1.00 0.00 C ATOM 214 SG CYS A 28 1.234 1.720 -3.497 1.00 0.00 S ATOM 0 H CYS A 28 0.225 3.901 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.906 1.543 -5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.041 3.784 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.933 2.431 -2.651 1.00 0.00 H new ATOM 0 HG CYS A 28 2.156 2.311 -2.796 1.00 0.00 H new ATOM 215 N LYS A 29 -3.088 3.936 -4.907 1.00 0.00 N ATOM 216 CA LYS A 29 -4.565 4.115 -4.867 1.00 0.00 C ATOM 217 C LYS A 29 -5.292 3.166 -5.861 1.00 0.00 C ATOM 218 O LYS A 29 -6.227 2.464 -5.478 1.00 0.00 O ATOM 219 CB LYS A 29 -4.952 5.584 -5.018 1.00 0.00 C ATOM 220 CG LYS A 29 -4.674 6.281 -6.357 1.00 0.00 C ATOM 221 CD LYS A 29 -5.777 6.071 -7.394 1.00 0.00 C ATOM 222 CE LYS A 29 -5.383 6.648 -8.755 1.00 0.00 C ATOM 223 NZ LYS A 29 -6.324 6.176 -9.770 1.00 0.00 N ATOM 0 H LYS A 29 -2.564 4.760 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.915 3.816 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.020 5.668 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.435 6.145 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.549 7.350 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.731 5.912 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.985 5.006 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.697 6.544 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.388 7.737 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.369 6.343 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.059 6.566 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.298 5.137 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.285 6.488 -9.524 1.00 0.00 H new ATOM 224 N GLY A 30 -4.712 3.021 -7.057 1.00 0.00 N ATOM 225 CA GLY A 30 -5.149 2.063 -8.100 1.00 0.00 C ATOM 226 C GLY A 30 -5.109 0.618 -7.571 1.00 0.00 C ATOM 227 O GLY A 30 -6.156 -0.014 -7.405 1.00 0.00 O ATOM 0 H GLY A 30 -3.905 3.576 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.161 2.308 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.504 2.152 -8.974 1.00 0.00 H new ATOM 228 N PHE A 31 -3.933 0.253 -7.067 1.00 0.00 N ATOM 229 CA PHE A 31 -3.662 -1.013 -6.355 1.00 0.00 C ATOM 230 C PHE A 31 -4.616 -1.322 -5.191 1.00 0.00 C ATOM 231 O PHE A 31 -5.051 -2.454 -5.009 1.00 0.00 O ATOM 232 CB PHE A 31 -2.202 -0.873 -5.913 1.00 0.00 C ATOM 233 CG PHE A 31 -1.716 -1.720 -4.742 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.301 -3.056 -4.933 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.913 -1.188 -3.432 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.122 -3.871 -3.794 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.774 -2.007 -2.325 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.387 -3.352 -2.506 1.00 0.00 C ATOM 0 H PHE A 31 -3.106 0.846 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.833 -1.872 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.571 -1.101 -6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.030 0.173 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.125 -3.445 -5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.170 -0.147 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.783 -4.890 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.960 -1.621 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.292 -3.997 -1.645 1.00 0.00 H new ATOM 239 N PHE A 32 -5.041 -0.247 -4.534 1.00 0.00 N ATOM 240 CA PHE A 32 -5.726 -0.302 -3.227 1.00 0.00 C ATOM 241 C PHE A 32 -7.135 -0.829 -3.487 1.00 0.00 C ATOM 242 O PHE A 32 -7.432 -1.950 -3.099 1.00 0.00 O ATOM 243 CB PHE A 32 -5.623 1.126 -2.689 1.00 0.00 C ATOM 244 CG PHE A 32 -5.308 1.193 -1.227 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.186 0.460 -0.756 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.204 1.832 -0.346 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.041 0.255 0.636 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.067 1.592 1.007 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.018 0.792 1.497 1.00 0.00 C ATOM 0 H PHE A 32 -4.923 0.702 -4.890 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.307 -0.971 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.851 1.660 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.564 1.644 -2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.457 0.066 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.975 2.490 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.202 -0.300 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.775 2.024 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.961 0.585 2.556 1.00 0.00 H new ATOM 250 N ARG A 33 -7.843 -0.185 -4.420 1.00 0.00 N ATOM 251 CA ARG A 33 -9.095 -0.744 -4.964 1.00 0.00 C ATOM 252 C ARG A 33 -8.953 -2.035 -5.747 1.00 0.00 C ATOM 253 O ARG A 33 -9.694 -2.984 -5.520 1.00 0.00 O ATOM 254 CB ARG A 33 -9.893 0.276 -5.770 1.00 0.00 C ATOM 255 CG ARG A 33 -9.186 1.032 -6.894 1.00 0.00 C ATOM 256 CD ARG A 33 -10.205 1.974 -7.517 1.00 0.00 C ATOM 257 NE ARG A 33 -10.536 3.090 -6.606 1.00 0.00 N ATOM 258 CZ ARG A 33 -9.977 4.305 -6.566 1.00 0.00 C ATOM 259 NH1 ARG A 33 -8.953 4.653 -7.337 1.00 0.00 N ATOM 260 NH2 ARG A 33 -10.507 5.212 -5.768 1.00 0.00 N ATOM 0 H ARG A 33 -7.577 0.717 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.653 -1.005 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.748 -0.241 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.288 1.014 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.334 1.590 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.799 0.338 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.811 2.371 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.112 1.421 -7.762 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.278 2.913 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.559 3.981 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.560 5.592 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.322 4.979 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.101 6.146 -5.718 1.00 0.00 H new ATOM 261 N ARG A 34 -7.879 -2.114 -6.515 1.00 0.00 N ATOM 262 CA ARG A 34 -7.627 -3.286 -7.357 1.00 0.00 C ATOM 263 C ARG A 34 -7.596 -4.598 -6.592 1.00 0.00 C ATOM 264 O ARG A 34 -8.289 -5.543 -6.964 1.00 0.00 O ATOM 265 CB ARG A 34 -6.311 -3.083 -8.133 1.00 0.00 C ATOM 266 CG ARG A 34 -6.131 -4.008 -9.345 1.00 0.00 C ATOM 267 CD ARG A 34 -4.985 -5.008 -9.156 1.00 0.00 C ATOM 268 NE ARG A 34 -5.381 -6.100 -8.252 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.720 -6.523 -7.176 1.00 0.00 C ATOM 270 NH1 ARG A 34 -3.616 -5.953 -6.718 1.00 0.00 N ATOM 271 NH2 ARG A 34 -5.200 -7.591 -6.556 1.00 0.00 N ATOM 0 H ARG A 34 -7.166 -1.387 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.468 -3.368 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.261 -2.048 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.475 -3.235 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.058 -4.553 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.940 -3.405 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.693 -5.419 -10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.113 -4.495 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.252 -6.583 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.225 -5.141 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.156 -6.326 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.040 -8.050 -6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.729 -7.954 -5.727 1.00 0.00 H new ATOM 272 N SER A 35 -7.011 -4.525 -5.400 1.00 0.00 N ATOM 273 CA SER A 35 -7.215 -5.537 -4.381 1.00 0.00 C ATOM 274 C SER A 35 -8.580 -5.401 -3.695 1.00 0.00 C ATOM 275 O SER A 35 -9.551 -5.989 -4.157 1.00 0.00 O ATOM 276 CB SER A 35 -6.075 -5.495 -3.389 1.00 0.00 C ATOM 277 OG SER A 35 -4.870 -5.946 -4.003 1.00 0.00 O ATOM 0 H SER A 35 -6.388 -3.768 -5.119 1.00 0.00 H new ATOM 0 HA SER A 35 -7.221 -6.515 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.944 -4.479 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.309 -6.121 -2.528 1.00 0.00 H new ATOM 0 HG SER A 35 -4.858 -6.926 -4.020 1.00 0.00 H new ATOM 278 N ILE A 36 -8.699 -4.405 -2.834 1.00 0.00 N ATOM 279 CA ILE A 36 -9.772 -4.349 -1.825 1.00 0.00 C ATOM 280 C ILE A 36 -11.191 -4.384 -2.388 1.00 0.00 C ATOM 281 O ILE A 36 -11.941 -5.313 -2.092 1.00 0.00 O ATOM 282 CB ILE A 36 -9.611 -3.160 -0.878 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.243 -3.265 -0.213 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.634 -3.072 0.243 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.806 -1.869 0.138 1.00 0.00 C ATOM 0 H ILE A 36 -8.062 -3.609 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.648 -5.276 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.744 -2.275 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.297 -3.886 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.525 -3.735 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.429 -2.194 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.634 -2.992 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.574 -3.967 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.828 -1.904 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.744 -1.268 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.529 -1.422 0.821 1.00 0.00 H new ATOM 286 N GLN A 37 -11.398 -3.531 -3.378 1.00 0.00 N ATOM 287 CA GLN A 37 -12.732 -3.229 -3.876 1.00 0.00 C ATOM 288 C GLN A 37 -13.416 -4.465 -4.481 1.00 0.00 C ATOM 289 O GLN A 37 -14.638 -4.562 -4.525 1.00 0.00 O ATOM 290 CB GLN A 37 -12.514 -2.161 -4.946 1.00 0.00 C ATOM 291 CG GLN A 37 -13.815 -1.496 -5.352 1.00 0.00 C ATOM 292 CD GLN A 37 -13.542 -0.606 -6.576 1.00 0.00 C ATOM 293 OE1 GLN A 37 -13.585 0.607 -6.518 1.00 0.00 O ATOM 294 NE2 GLN A 37 -13.144 -1.220 -7.666 1.00 0.00 N ATOM 0 H GLN A 37 -10.650 -3.030 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.388 -2.895 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.822 -1.407 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.048 -2.614 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.568 -2.248 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.209 -0.899 -4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.115 -2.239 -7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.864 -0.678 -8.483 1.00 0.00 H new ATOM 295 N LYS A 38 -12.575 -5.272 -5.120 1.00 0.00 N ATOM 296 CA LYS A 38 -12.927 -6.476 -5.884 1.00 0.00 C ATOM 297 C LYS A 38 -12.220 -7.785 -5.494 1.00 0.00 C ATOM 298 O LYS A 38 -12.862 -8.735 -5.043 1.00 0.00 O ATOM 299 CB LYS A 38 -12.763 -6.086 -7.359 1.00 0.00 C ATOM 300 CG LYS A 38 -11.418 -5.468 -7.774 1.00 0.00 C ATOM 301 CD LYS A 38 -11.448 -5.219 -9.283 1.00 0.00 C ATOM 302 CE LYS A 38 -10.124 -4.742 -9.876 1.00 0.00 C ATOM 303 NZ LYS A 38 -9.065 -5.762 -9.721 1.00 0.00 N ATOM 0 H LYS A 38 -11.570 -5.098 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.952 -6.759 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.927 -6.977 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.553 -5.379 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.248 -4.534 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.597 -6.137 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.744 -6.141 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.216 -4.477 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.259 -4.513 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.816 -3.818 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.477 -5.784 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.472 -5.525 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.500 -6.695 -9.575 1.00 0.00 H new ATOM 304 N ASN A 39 -10.898 -7.810 -5.643 1.00 0.00 N ATOM 305 CA ASN A 39 -10.076 -9.029 -5.562 1.00 0.00 C ATOM 306 C ASN A 39 -8.855 -9.035 -4.605 1.00 0.00 C ATOM 307 O ASN A 39 -7.701 -9.167 -4.999 1.00 0.00 O ATOM 308 CB ASN A 39 -9.754 -9.513 -6.999 1.00 0.00 C ATOM 309 CG ASN A 39 -9.107 -8.475 -7.912 1.00 0.00 C ATOM 310 OD1 ASN A 39 -9.843 -8.117 -8.939 1.00 0.00 O flip ATOM 311 ND2 ASN A 39 -7.949 -8.100 -7.798 1.00 0.00 N flip ATOM 0 H ASN A 39 -10.351 -6.969 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.698 -9.758 -5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.092 -10.376 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.679 -9.855 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.396 -8.391 -6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.536 -7.497 -8.509 1.00 0.00 H new ATOM 312 N MET A 40 -9.164 -8.952 -3.307 1.00 0.00 N ATOM 313 CA MET A 40 -8.145 -9.149 -2.253 1.00 0.00 C ATOM 314 C MET A 40 -8.240 -10.439 -1.433 1.00 0.00 C ATOM 315 O MET A 40 -8.118 -10.467 -0.206 1.00 0.00 O ATOM 316 CB MET A 40 -8.144 -7.952 -1.332 1.00 0.00 C ATOM 317 CG MET A 40 -9.519 -7.592 -0.752 1.00 0.00 C ATOM 318 SD MET A 40 -10.235 -8.617 0.588 1.00 0.00 S ATOM 319 CE MET A 40 -9.286 -7.980 1.959 1.00 0.00 C ATOM 0 H MET A 40 -10.101 -8.752 -2.956 1.00 0.00 H new ATOM 0 HA MET A 40 -7.205 -9.254 -2.795 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.456 -8.144 -0.509 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.757 -7.091 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.459 -6.568 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.231 -7.591 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.663 -8.774 2.370 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.652 -7.163 1.614 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.963 -7.614 2.731 1.00 0.00 H new ATOM 320 N ILE A 41 -8.013 -11.479 -2.189 1.00 0.00 N ATOM 321 CA ILE A 41 -7.866 -12.778 -1.560 1.00 0.00 C ATOM 322 C ILE A 41 -6.405 -13.274 -1.733 1.00 0.00 C ATOM 323 O ILE A 41 -5.971 -13.748 -2.786 1.00 0.00 O ATOM 324 CB ILE A 41 -8.982 -13.759 -1.897 1.00 0.00 C ATOM 325 CG1 ILE A 41 -9.057 -14.732 -0.714 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.877 -14.451 -3.277 1.00 0.00 C ATOM 327 CD1 ILE A 41 -10.265 -15.688 -0.705 1.00 0.00 C ATOM 0 H ILE A 41 -7.927 -11.465 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.016 -12.683 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.918 -13.214 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.145 -15.329 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.071 -14.152 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.722 -15.126 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.887 -13.697 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.948 -15.018 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.215 -16.329 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.188 -15.108 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.248 -16.304 -1.604 1.00 0.00 H new ATOM 328 N TYR A 42 -5.656 -12.794 -0.756 1.00 0.00 N ATOM 329 CA TYR A 42 -4.193 -12.587 -0.816 1.00 0.00 C ATOM 330 C TYR A 42 -3.298 -13.292 0.216 1.00 0.00 C ATOM 331 O TYR A 42 -2.542 -14.181 -0.153 1.00 0.00 O ATOM 332 CB TYR A 42 -3.965 -11.068 -0.916 1.00 0.00 C ATOM 333 CG TYR A 42 -4.651 -10.090 0.044 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.333 -10.423 1.238 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.555 -8.776 -0.406 1.00 0.00 C ATOM 336 CE1 TYR A 42 -5.926 -9.391 1.991 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.128 -7.737 0.337 1.00 0.00 C ATOM 338 CZ TYR A 42 -5.805 -8.058 1.531 1.00 0.00 C ATOM 339 OH TYR A 42 -6.247 -7.036 2.320 1.00 0.00 O ATOM 0 H TYR A 42 -6.053 -12.522 0.144 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.839 -13.117 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.892 -10.902 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.248 -10.771 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.398 -11.450 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.038 -8.558 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.463 -9.613 2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.053 -6.713 0.003 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.161 -7.290 3.263 1.00 0.00 H new ATOM 340 N THR A 43 -3.391 -12.843 1.463 1.00 0.00 N ATOM 341 CA THR A 43 -2.489 -13.139 2.605 1.00 0.00 C ATOM 342 C THR A 43 -1.336 -14.122 2.353 1.00 0.00 C ATOM 343 O THR A 43 -1.359 -15.275 2.792 1.00 0.00 O ATOM 344 CB THR A 43 -3.368 -13.517 3.813 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.418 -12.547 3.929 1.00 0.00 O ATOM 346 CG2 THR A 43 -2.556 -13.531 5.115 1.00 0.00 C ATOM 0 H THR A 43 -4.148 -12.217 1.737 1.00 0.00 H new ATOM 0 HA THR A 43 -1.922 -12.229 2.803 1.00 0.00 H new ATOM 0 HB THR A 43 -3.771 -14.517 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.040 -11.688 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.207 -13.801 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.750 -14.260 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.134 -12.542 5.291 1.00 0.00 H new ATOM 347 N CYS A 44 -0.252 -13.653 1.741 1.00 0.00 N ATOM 348 CA CYS A 44 -0.008 -12.245 1.324 1.00 0.00 C ATOM 349 C CYS A 44 -0.128 -11.889 -0.171 1.00 0.00 C ATOM 350 O CYS A 44 -0.679 -10.829 -0.469 1.00 0.00 O ATOM 351 CB CYS A 44 1.257 -11.708 2.019 1.00 0.00 C ATOM 352 SG CYS A 44 1.955 -10.156 1.365 1.00 0.00 S ATOM 0 H CYS A 44 0.530 -14.264 1.503 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.878 -11.695 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.028 -11.560 3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.028 -12.477 1.965 1.00 0.00 H new ATOM 0 HG CYS A 44 3.246 -10.164 1.514 1.00 0.00 H new ATOM 353 N HIS A 45 0.493 -12.581 -1.131 1.00 0.00 N ATOM 354 CA HIS A 45 1.575 -13.573 -0.985 1.00 0.00 C ATOM 355 C HIS A 45 2.754 -13.295 -1.919 1.00 0.00 C ATOM 356 O HIS A 45 2.645 -13.368 -3.142 1.00 0.00 O ATOM 357 CB HIS A 45 1.027 -14.992 -1.220 1.00 0.00 C ATOM 358 CG HIS A 45 1.443 -15.916 -0.060 1.00 0.00 C ATOM 359 ND1 HIS A 45 2.687 -16.103 0.372 1.00 0.00 N ATOM 360 CD2 HIS A 45 0.635 -16.536 0.806 1.00 0.00 C ATOM 361 CE1 HIS A 45 2.652 -16.812 1.500 1.00 0.00 C ATOM 362 NE2 HIS A 45 1.371 -17.076 1.759 1.00 0.00 N ATOM 0 H HIS A 45 0.235 -12.456 -2.110 1.00 0.00 H new ATOM 0 HA HIS A 45 1.952 -13.493 0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.060 -14.962 -1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.406 -15.386 -2.163 1.00 0.00 H new ATOM 0 HD1 HIS A 45 3.531 -15.759 -0.086 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.442 -16.587 0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.502 -17.116 2.093 1.00 0.00 H new ATOM 363 N ARG A 46 3.766 -12.688 -1.316 1.00 0.00 N ATOM 364 CA ARG A 46 5.124 -13.212 -1.592 1.00 0.00 C ATOM 365 C ARG A 46 5.449 -14.058 -0.347 1.00 0.00 C ATOM 366 O ARG A 46 5.312 -15.277 -0.341 1.00 0.00 O ATOM 367 CB ARG A 46 6.238 -12.178 -1.796 1.00 0.00 C ATOM 368 CG ARG A 46 6.110 -11.319 -3.054 1.00 0.00 C ATOM 369 CD ARG A 46 7.513 -10.817 -3.415 1.00 0.00 C ATOM 370 NE ARG A 46 7.458 -9.755 -4.435 1.00 0.00 N ATOM 371 CZ ARG A 46 8.490 -9.221 -5.100 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.746 -9.636 -4.952 1.00 0.00 N ATOM 373 NH2 ARG A 46 8.283 -8.169 -5.875 1.00 0.00 N ATOM 0 H ARG A 46 3.703 -11.894 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 46 5.101 -13.741 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.263 -11.520 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.194 -12.700 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.688 -11.900 -3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.436 -10.480 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.007 -10.439 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.114 -11.648 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 46 6.533 -9.387 -4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.959 -10.397 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.495 -9.194 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.346 -7.775 -5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.060 -7.752 -6.387 1.00 0.00 H new ATOM 374 N ASP A 47 5.702 -13.340 0.736 1.00 0.00 N ATOM 375 CA ASP A 47 5.535 -13.777 2.132 1.00 0.00 C ATOM 376 C ASP A 47 4.727 -12.670 2.854 1.00 0.00 C ATOM 377 O ASP A 47 4.600 -11.561 2.321 1.00 0.00 O ATOM 378 CB ASP A 47 6.891 -14.097 2.791 1.00 0.00 C ATOM 379 CG ASP A 47 7.959 -13.000 2.704 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.570 -11.814 2.629 1.00 0.00 O ATOM 381 OD2 ASP A 47 9.153 -13.371 2.648 1.00 0.00 O ATOM 0 H ASP A 47 6.049 -12.383 0.672 1.00 0.00 H new ATOM 0 HA ASP A 47 4.984 -14.716 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.716 -14.323 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.290 -15.002 2.333 1.00 0.00 H new ATOM 382 N LYS A 48 4.500 -12.856 4.142 1.00 0.00 N ATOM 383 CA LYS A 48 3.703 -11.881 4.928 1.00 0.00 C ATOM 384 C LYS A 48 4.570 -10.751 5.553 1.00 0.00 C ATOM 385 O LYS A 48 4.029 -9.754 6.018 1.00 0.00 O ATOM 386 CB LYS A 48 2.922 -12.631 6.019 1.00 0.00 C ATOM 387 CG LYS A 48 3.854 -13.346 7.003 1.00 0.00 C ATOM 388 CD LYS A 48 3.605 -14.863 7.082 1.00 0.00 C ATOM 389 CE LYS A 48 4.519 -15.677 6.166 1.00 0.00 C ATOM 390 NZ LYS A 48 4.189 -15.515 4.738 1.00 0.00 N ATOM 0 H LYS A 48 4.843 -13.655 4.676 1.00 0.00 H new ATOM 0 HA LYS A 48 3.013 -11.389 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.292 -11.927 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.258 -13.360 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.888 -13.169 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.727 -12.912 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.746 -15.194 8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.567 -15.067 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.553 -15.375 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.448 -16.731 6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.891 -16.430 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.416 -14.826 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.027 -15.174 4.225 1.00 0.00 H new ATOM 391 N ASN A 49 5.874 -10.838 5.293 1.00 0.00 N ATOM 392 CA ASN A 49 6.894 -9.826 5.646 1.00 0.00 C ATOM 393 C ASN A 49 7.530 -9.163 4.402 1.00 0.00 C ATOM 394 O ASN A 49 8.687 -8.773 4.366 1.00 0.00 O ATOM 395 CB ASN A 49 7.954 -10.534 6.515 1.00 0.00 C ATOM 396 CG ASN A 49 8.629 -11.717 5.789 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.038 -12.760 5.563 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.773 -11.459 5.195 1.00 0.00 N ATOM 0 H ASN A 49 6.274 -11.644 4.812 1.00 0.00 H new ATOM 0 HA ASN A 49 6.426 -9.009 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.716 -9.813 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.485 -10.895 7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.171 -12.133 4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.262 -10.585 5.388 1.00 0.00 H new ATOM 399 N CYS A 50 6.705 -9.101 3.359 1.00 0.00 N ATOM 400 CA CYS A 50 6.998 -8.513 2.033 1.00 0.00 C ATOM 401 C CYS A 50 7.035 -6.984 2.216 1.00 0.00 C ATOM 402 O CYS A 50 6.043 -6.364 2.604 1.00 0.00 O ATOM 403 CB CYS A 50 5.824 -9.026 1.181 1.00 0.00 C ATOM 404 SG CYS A 50 5.764 -8.851 -0.627 1.00 0.00 S ATOM 0 H CYS A 50 5.759 -9.478 3.409 1.00 0.00 H new ATOM 0 HA CYS A 50 7.947 -8.778 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.730 -10.091 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.926 -8.544 1.569 1.00 0.00 H new ATOM 0 HG CYS A 50 6.175 -7.664 -0.962 1.00 0.00 H new ATOM 405 N VAL A 51 8.163 -6.385 1.843 1.00 0.00 N ATOM 406 CA VAL A 51 8.699 -5.186 2.514 1.00 0.00 C ATOM 407 C VAL A 51 8.603 -4.008 1.559 1.00 0.00 C ATOM 408 O VAL A 51 9.113 -4.079 0.439 1.00 0.00 O ATOM 409 CB VAL A 51 10.228 -5.255 2.673 1.00 0.00 C ATOM 410 CG1 VAL A 51 10.631 -4.460 3.909 1.00 0.00 C ATOM 411 CG2 VAL A 51 10.815 -6.633 2.880 1.00 0.00 C ATOM 0 H VAL A 51 8.738 -6.712 1.066 1.00 0.00 H new ATOM 0 HA VAL A 51 8.155 -5.107 3.455 1.00 0.00 H new ATOM 0 HB VAL A 51 10.610 -4.869 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.713 -4.502 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.319 -3.422 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.149 -4.886 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.898 -6.556 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.398 -7.074 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.573 -7.264 2.025 1.00 0.00 H new ATOM 412 N ILE A 52 8.162 -2.879 2.105 1.00 0.00 N ATOM 413 CA ILE A 52 8.215 -1.601 1.384 1.00 0.00 C ATOM 414 C ILE A 52 8.422 -0.317 2.210 1.00 0.00 C ATOM 415 O ILE A 52 7.698 -0.007 3.156 1.00 0.00 O ATOM 416 CB ILE A 52 7.263 -1.311 0.239 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.018 -2.203 0.035 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.185 -1.278 -0.988 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.260 -3.628 -0.420 1.00 0.00 C ATOM 0 H ILE A 52 7.764 -2.818 3.042 1.00 0.00 H new ATOM 0 HA ILE A 52 9.153 -1.874 0.901 1.00 0.00 H new ATOM 0 HB ILE A 52 6.738 -0.382 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.467 -2.236 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.371 -1.719 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.595 -1.074 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.933 -0.495 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.683 -2.242 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.305 -4.144 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.775 -3.621 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.874 -4.146 0.317 1.00 0.00 H new ATOM 420 N ASN A 53 9.645 0.142 2.024 1.00 0.00 N ATOM 421 CA ASN A 53 10.029 1.561 2.062 1.00 0.00 C ATOM 422 C ASN A 53 10.744 1.783 0.712 1.00 0.00 C ATOM 423 O ASN A 53 10.044 1.846 -0.297 1.00 0.00 O ATOM 424 CB ASN A 53 10.806 1.998 3.322 1.00 0.00 C ATOM 425 CG ASN A 53 12.210 1.423 3.509 1.00 0.00 C ATOM 426 OD1 ASN A 53 12.457 0.234 3.388 1.00 0.00 O ATOM 427 ND2 ASN A 53 13.191 2.295 3.584 1.00 0.00 N ATOM 0 H ASN A 53 10.434 -0.476 1.835 1.00 0.00 H new ATOM 0 HA ASN A 53 9.166 2.219 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.884 3.085 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.212 1.730 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.160 1.978 3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.984 3.289 3.685 1.00 0.00 H new ATOM 428 N LYS A 54 12.046 2.085 0.713 1.00 0.00 N ATOM 429 CA LYS A 54 12.932 1.812 -0.438 1.00 0.00 C ATOM 430 C LYS A 54 14.341 1.243 -0.140 1.00 0.00 C ATOM 431 O LYS A 54 15.372 1.892 -0.278 1.00 0.00 O ATOM 432 CB LYS A 54 12.988 3.009 -1.397 1.00 0.00 C ATOM 433 CG LYS A 54 13.366 4.325 -0.685 1.00 0.00 C ATOM 434 CD LYS A 54 13.877 5.424 -1.605 1.00 0.00 C ATOM 435 CE LYS A 54 14.192 6.701 -0.814 1.00 0.00 C ATOM 436 NZ LYS A 54 12.951 7.404 -0.468 1.00 0.00 N ATOM 0 H LYS A 54 12.519 2.523 1.503 1.00 0.00 H new ATOM 0 HA LYS A 54 12.443 0.970 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.714 2.805 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.018 3.128 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.492 4.696 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.131 4.111 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.773 5.082 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.130 5.640 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.741 6.449 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.835 7.353 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.045 8.412 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.159 6.995 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.768 7.304 0.551 1.00 0.00 H new ATOM 437 N VAL A 55 14.330 0.069 0.480 1.00 0.00 N ATOM 438 CA VAL A 55 15.481 -0.847 0.616 1.00 0.00 C ATOM 439 C VAL A 55 15.219 -2.159 -0.181 1.00 0.00 C ATOM 440 O VAL A 55 16.121 -2.923 -0.518 1.00 0.00 O ATOM 441 CB VAL A 55 15.565 -1.194 2.120 1.00 0.00 C ATOM 442 CG1 VAL A 55 16.565 -2.302 2.436 1.00 0.00 C ATOM 443 CG2 VAL A 55 15.878 0.022 3.002 1.00 0.00 C ATOM 0 H VAL A 55 13.488 -0.296 0.924 1.00 0.00 H new ATOM 0 HA VAL A 55 16.395 -0.389 0.238 1.00 0.00 H new ATOM 0 HB VAL A 55 14.564 -1.555 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.570 -2.492 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.279 -3.212 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.561 -1.995 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.923 -0.288 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.837 0.448 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.096 0.771 2.880 1.00 0.00 H new ATOM 444 N THR A 56 13.997 -2.220 -0.666 1.00 0.00 N ATOM 445 CA THR A 56 13.034 -3.295 -0.405 1.00 0.00 C ATOM 446 C THR A 56 12.533 -4.050 -1.646 1.00 0.00 C ATOM 447 O THR A 56 13.229 -4.244 -2.646 1.00 0.00 O ATOM 448 CB THR A 56 11.842 -2.544 0.212 1.00 0.00 C ATOM 449 OG1 THR A 56 11.372 -1.432 -0.534 1.00 0.00 O ATOM 450 CG2 THR A 56 12.014 -2.240 1.673 1.00 0.00 C ATOM 0 H THR A 56 13.622 -1.497 -1.280 1.00 0.00 H new ATOM 0 HA THR A 56 13.502 -4.063 0.210 1.00 0.00 H new ATOM 0 HB THR A 56 11.030 -3.268 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.896 -1.749 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.135 -1.710 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.134 -3.171 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.898 -1.618 1.814 1.00 0.00 H new ATOM 451 N ARG A 57 11.288 -4.506 -1.481 1.00 0.00 N ATOM 452 CA ARG A 57 10.290 -4.808 -2.511 1.00 0.00 C ATOM 453 C ARG A 57 10.658 -5.967 -3.479 1.00 0.00 C ATOM 454 O ARG A 57 11.060 -5.748 -4.611 1.00 0.00 O ATOM 455 CB ARG A 57 9.702 -3.526 -3.016 1.00 0.00 C ATOM 456 CG ARG A 57 10.588 -2.605 -3.877 1.00 0.00 C ATOM 457 CD ARG A 57 9.819 -1.360 -4.308 1.00 0.00 C ATOM 458 NE ARG A 57 10.774 -0.360 -4.818 1.00 0.00 N ATOM 459 CZ ARG A 57 10.906 0.895 -4.374 1.00 0.00 C ATOM 460 NH1 ARG A 57 10.144 1.413 -3.425 1.00 0.00 N ATOM 461 NH2 ARG A 57 11.889 1.651 -4.857 1.00 0.00 N ATOM 0 H ARG A 57 10.922 -4.688 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 57 9.429 -5.326 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.815 -3.774 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.366 -2.952 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.474 -2.313 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.935 -3.146 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.092 -1.614 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.260 -0.952 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 57 11.389 -0.651 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.412 0.849 -2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.288 2.377 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.528 1.271 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.003 2.610 -4.529 1.00 0.00 H new ATOM 462 N ASN A 58 10.296 -7.206 -3.131 1.00 0.00 N ATOM 463 CA ASN A 58 9.443 -7.683 -2.000 1.00 0.00 C ATOM 464 C ASN A 58 8.052 -7.010 -1.959 1.00 0.00 C ATOM 465 O ASN A 58 7.603 -6.552 -0.916 1.00 0.00 O ATOM 466 CB ASN A 58 10.115 -7.636 -0.615 1.00 0.00 C ATOM 467 CG ASN A 58 11.362 -8.521 -0.505 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.458 -8.166 -0.914 1.00 0.00 O ATOM 469 ND2 ASN A 58 11.210 -9.680 0.079 1.00 0.00 N ATOM 0 H ASN A 58 10.621 -7.998 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 58 9.299 -8.739 -2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.390 -6.606 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.393 -7.946 0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.011 -10.300 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.290 -9.965 0.416 1.00 0.00 H new ATOM 470 N ARG A 59 7.466 -6.830 -3.137 1.00 0.00 N ATOM 471 CA ARG A 59 6.205 -6.120 -3.272 1.00 0.00 C ATOM 472 C ARG A 59 5.122 -7.017 -3.911 1.00 0.00 C ATOM 473 O ARG A 59 5.395 -7.844 -4.771 1.00 0.00 O ATOM 474 CB ARG A 59 6.410 -4.847 -4.088 1.00 0.00 C ATOM 475 CG ARG A 59 6.851 -5.028 -5.548 1.00 0.00 C ATOM 476 CD ARG A 59 6.908 -3.696 -6.310 1.00 0.00 C ATOM 477 NE ARG A 59 5.543 -3.171 -6.495 1.00 0.00 N ATOM 478 CZ ARG A 59 4.917 -2.972 -7.655 1.00 0.00 C ATOM 479 NH1 ARG A 59 5.519 -3.152 -8.829 1.00 0.00 N ATOM 480 NH2 ARG A 59 3.603 -2.803 -7.658 1.00 0.00 N ATOM 0 H ARG A 59 7.850 -7.170 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 59 5.855 -5.847 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.476 -4.285 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.155 -4.234 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.833 -5.500 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.160 -5.703 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.513 -2.976 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.387 -3.840 -7.278 1.00 0.00 H new ATOM 0 HE ARG A 59 5.024 -2.936 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.493 -3.453 -8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.006 -2.989 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.084 -2.826 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.111 -2.650 -8.538 1.00 0.00 H new ATOM 481 N CYS A 60 3.893 -6.792 -3.472 1.00 0.00 N ATOM 482 CA CYS A 60 2.771 -7.737 -3.661 1.00 0.00 C ATOM 483 C CYS A 60 1.465 -7.001 -3.268 1.00 0.00 C ATOM 484 O CYS A 60 1.415 -5.786 -3.360 1.00 0.00 O ATOM 485 CB CYS A 60 3.060 -8.892 -2.700 1.00 0.00 C ATOM 486 SG CYS A 60 1.872 -10.259 -2.569 1.00 0.00 S ATOM 0 H CYS A 60 3.630 -5.945 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 60 2.665 -8.100 -4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.022 -9.320 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.181 -8.467 -1.704 1.00 0.00 H new ATOM 0 HG CYS A 60 1.006 -9.993 -1.637 1.00 0.00 H new ATOM 487 N GLN A 61 0.441 -7.730 -2.797 1.00 0.00 N ATOM 488 CA GLN A 61 -0.775 -7.117 -2.248 1.00 0.00 C ATOM 489 C GLN A 61 -0.747 -6.797 -0.763 1.00 0.00 C ATOM 490 O GLN A 61 -0.263 -5.732 -0.382 1.00 0.00 O ATOM 491 CB GLN A 61 -2.044 -7.927 -2.575 1.00 0.00 C ATOM 492 CG GLN A 61 -2.244 -8.335 -4.034 1.00 0.00 C ATOM 493 CD GLN A 61 -3.444 -9.272 -4.155 1.00 0.00 C ATOM 494 OE1 GLN A 61 -4.641 -8.734 -4.104 1.00 0.00 O flip ATOM 495 NE2 GLN A 61 -3.315 -10.489 -4.240 1.00 0.00 N flip ATOM 0 H GLN A 61 0.433 -8.750 -2.786 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.805 -6.156 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.035 -8.832 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.910 -7.342 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.400 -7.449 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.347 -8.829 -4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.383 -10.902 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.140 -11.088 -4.271 1.00 0.00 H new ATOM 496 N TYR A 62 -1.089 -7.790 0.060 1.00 0.00 N ATOM 497 CA TYR A 62 -1.438 -7.600 1.483 1.00 0.00 C ATOM 498 C TYR A 62 -0.415 -6.823 2.293 1.00 0.00 C ATOM 499 O TYR A 62 -0.720 -5.745 2.785 1.00 0.00 O ATOM 500 CB TYR A 62 -1.675 -9.033 2.001 1.00 0.00 C ATOM 501 CG TYR A 62 -1.826 -9.248 3.513 1.00 0.00 C ATOM 502 CD1 TYR A 62 -0.675 -9.410 4.321 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.114 -9.420 4.039 1.00 0.00 C ATOM 504 CE1 TYR A 62 -0.828 -9.759 5.675 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.280 -9.763 5.393 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.125 -9.934 6.191 1.00 0.00 C ATOM 507 OH TYR A 62 -2.278 -10.434 7.450 1.00 0.00 O ATOM 0 H TYR A 62 -1.134 -8.764 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.317 -6.965 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.575 -9.415 1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.845 -9.651 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.310 -9.267 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.978 -9.289 3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.037 -9.891 6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.266 -9.893 5.813 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.232 -10.495 7.664 1.00 0.00 H new ATOM 508 N CYS A 63 0.833 -7.181 2.059 1.00 0.00 N ATOM 509 CA CYS A 63 2.018 -6.448 2.505 1.00 0.00 C ATOM 510 C CYS A 63 1.940 -4.926 2.393 1.00 0.00 C ATOM 511 O CYS A 63 1.750 -4.265 3.411 1.00 0.00 O ATOM 512 CB CYS A 63 3.158 -6.994 1.631 1.00 0.00 C ATOM 513 SG CYS A 63 2.832 -6.876 -0.166 1.00 0.00 S ATOM 0 H CYS A 63 1.066 -8.023 1.533 1.00 0.00 H new ATOM 0 HA CYS A 63 2.153 -6.606 3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.073 -6.449 1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.335 -8.038 1.891 1.00 0.00 H new ATOM 0 HG CYS A 63 3.955 -6.946 -0.816 1.00 0.00 H new ATOM 514 N ARG A 64 1.825 -4.420 1.175 1.00 0.00 N ATOM 515 CA ARG A 64 1.663 -2.984 0.922 1.00 0.00 C ATOM 516 C ARG A 64 0.243 -2.446 1.006 1.00 0.00 C ATOM 517 O ARG A 64 0.108 -1.265 1.331 1.00 0.00 O ATOM 518 CB ARG A 64 2.353 -2.451 -0.336 1.00 0.00 C ATOM 519 CG ARG A 64 2.138 -3.300 -1.594 1.00 0.00 C ATOM 520 CD ARG A 64 2.585 -2.574 -2.867 1.00 0.00 C ATOM 521 NE ARG A 64 4.039 -2.316 -2.879 1.00 0.00 N ATOM 522 CZ ARG A 64 4.708 -1.651 -3.822 1.00 0.00 C ATOM 523 NH1 ARG A 64 4.111 -1.111 -4.869 1.00 0.00 N ATOM 524 NH2 ARG A 64 6.027 -1.530 -3.735 1.00 0.00 N ATOM 0 H ARG A 64 1.841 -4.989 0.328 1.00 0.00 H new ATOM 0 HA ARG A 64 2.201 -2.584 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.993 -1.441 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.423 -2.377 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.691 -4.235 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.083 -3.561 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.316 -3.172 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.049 -1.629 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 64 4.581 -2.679 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.100 -1.194 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.661 -0.610 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.526 -1.945 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.541 -1.022 -4.455 1.00 0.00 H new ATOM 525 N LEU A 65 -0.786 -3.295 0.878 1.00 0.00 N ATOM 526 CA LEU A 65 -2.148 -2.863 1.277 1.00 0.00 C ATOM 527 C LEU A 65 -2.110 -2.383 2.718 1.00 0.00 C ATOM 528 O LEU A 65 -2.244 -1.195 2.943 1.00 0.00 O ATOM 529 CB LEU A 65 -3.182 -3.992 1.297 1.00 0.00 C ATOM 530 CG LEU A 65 -4.161 -4.218 0.164 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.679 -2.916 -0.439 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.599 -5.032 -0.965 1.00 0.00 C ATOM 0 H LEU A 65 -0.717 -4.247 0.518 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.432 -2.108 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.626 -4.922 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.776 -3.855 2.200 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.973 -4.767 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.376 -3.141 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.189 -2.336 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.842 -2.339 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.357 -5.152 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.731 -4.523 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.301 -6.012 -0.593 1.00 0.00 H new ATOM 533 N GLN A 66 -1.471 -3.214 3.523 1.00 0.00 N ATOM 534 CA GLN A 66 -1.467 -3.136 4.993 1.00 0.00 C ATOM 535 C GLN A 66 -0.385 -2.231 5.581 1.00 0.00 C ATOM 536 O GLN A 66 -0.661 -1.465 6.503 1.00 0.00 O ATOM 537 CB GLN A 66 -1.595 -4.552 5.555 1.00 0.00 C ATOM 538 CG GLN A 66 -3.097 -4.865 5.656 1.00 0.00 C ATOM 539 CD GLN A 66 -3.705 -5.488 4.388 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.222 -6.464 3.860 1.00 0.00 O ATOM 541 NE2 GLN A 66 -4.816 -4.973 3.903 1.00 0.00 N ATOM 0 H GLN A 66 -0.917 -3.994 3.169 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.344 -2.590 5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.095 -5.271 4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.120 -4.622 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.258 -5.545 6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.633 -3.944 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.231 -4.151 4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.262 -5.397 3.089 1.00 0.00 H new ATOM 542 N LYS A 67 0.766 -2.174 4.912 1.00 0.00 N ATOM 543 CA LYS A 67 1.743 -1.086 5.132 1.00 0.00 C ATOM 544 C LYS A 67 1.241 0.304 4.757 1.00 0.00 C ATOM 545 O LYS A 67 1.350 1.226 5.559 1.00 0.00 O ATOM 546 CB LYS A 67 3.042 -1.395 4.387 1.00 0.00 C ATOM 547 CG LYS A 67 3.978 -2.350 5.117 1.00 0.00 C ATOM 548 CD LYS A 67 5.336 -2.309 4.407 1.00 0.00 C ATOM 549 CE LYS A 67 6.435 -2.974 5.246 1.00 0.00 C ATOM 550 NZ LYS A 67 7.737 -2.533 4.723 1.00 0.00 N ATOM 0 H LYS A 67 1.052 -2.861 4.214 1.00 0.00 H new ATOM 0 HA LYS A 67 1.914 -1.054 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.796 -1.821 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.570 -0.460 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.084 -2.057 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.573 -3.362 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.258 -2.813 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.609 -1.274 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.333 -2.698 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.351 -4.059 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.210 -3.330 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.594 -1.762 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.330 -2.194 5.508 1.00 0.00 H new ATOM 551 N CYS A 68 0.617 0.439 3.589 1.00 0.00 N ATOM 552 CA CYS A 68 -0.052 1.699 3.212 1.00 0.00 C ATOM 553 C CYS A 68 -1.279 2.005 4.089 1.00 0.00 C ATOM 554 O CYS A 68 -1.432 3.133 4.565 1.00 0.00 O ATOM 555 CB CYS A 68 -0.354 1.720 1.709 1.00 0.00 C ATOM 556 SG CYS A 68 1.113 1.941 0.637 1.00 0.00 S ATOM 0 H CYS A 68 0.556 -0.298 2.886 1.00 0.00 H new ATOM 0 HA CYS A 68 0.639 2.518 3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.848 0.787 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.060 2.525 1.505 1.00 0.00 H new ATOM 0 HG CYS A 68 0.744 1.942 -0.609 1.00 0.00 H new ATOM 557 N PHE A 69 -2.000 0.952 4.459 1.00 0.00 N ATOM 558 CA PHE A 69 -3.061 0.939 5.501 1.00 0.00 C ATOM 559 C PHE A 69 -2.689 1.404 6.914 1.00 0.00 C ATOM 560 O PHE A 69 -3.565 1.771 7.693 1.00 0.00 O ATOM 561 CB PHE A 69 -3.735 -0.422 5.660 1.00 0.00 C ATOM 562 CG PHE A 69 -4.957 -0.636 4.779 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.025 0.288 4.945 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.107 -1.775 3.931 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.223 0.111 4.244 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.309 -1.973 3.260 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.317 -1.000 3.368 1.00 0.00 C ATOM 0 H PHE A 69 -1.867 0.036 4.031 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.729 1.690 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.005 -1.201 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.030 -0.546 6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.911 1.128 5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.294 -2.476 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.048 0.797 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.465 -2.861 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.202 -1.103 2.757 1.00 0.00 H new ATOM 568 N GLU A 70 -1.426 1.262 7.266 1.00 0.00 N ATOM 569 CA GLU A 70 -0.864 1.899 8.472 1.00 0.00 C ATOM 570 C GLU A 70 -1.146 3.412 8.543 1.00 0.00 C ATOM 571 O GLU A 70 -1.236 3.993 9.616 1.00 0.00 O ATOM 572 CB GLU A 70 0.633 1.624 8.505 1.00 0.00 C ATOM 573 CG GLU A 70 0.830 0.141 8.850 1.00 0.00 C ATOM 574 CD GLU A 70 2.301 -0.255 8.986 1.00 0.00 C ATOM 575 OE1 GLU A 70 3.018 0.397 9.777 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.678 -1.251 8.334 1.00 0.00 O ATOM 0 H GLU A 70 -0.753 0.708 6.737 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.353 1.468 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.085 1.855 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.121 2.257 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.313 -0.080 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.366 -0.470 8.076 1.00 0.00 H new ATOM 577 N VAL A 71 -1.348 3.985 7.360 1.00 0.00 N ATOM 578 CA VAL A 71 -1.822 5.371 7.177 1.00 0.00 C ATOM 579 C VAL A 71 -3.176 5.287 6.417 1.00 0.00 C ATOM 580 O VAL A 71 -3.218 5.575 5.217 1.00 0.00 O ATOM 581 CB VAL A 71 -0.720 6.170 6.457 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.102 7.652 6.335 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.617 6.120 7.179 1.00 0.00 C ATOM 0 H VAL A 71 -1.186 3.497 6.479 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.008 5.903 8.110 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.624 5.701 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.306 8.192 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.027 7.744 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.245 8.074 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.353 6.701 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.506 6.537 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.952 5.085 7.252 1.00 0.00 H new ATOM 584 N GLY A 72 -4.078 4.498 7.014 1.00 0.00 N ATOM 585 CA GLY A 72 -5.486 4.199 6.638 1.00 0.00 C ATOM 586 C GLY A 72 -6.087 5.096 5.572 1.00 0.00 C ATOM 587 O GLY A 72 -6.644 6.162 5.785 1.00 0.00 O ATOM 0 H GLY A 72 -3.823 3.995 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.539 3.167 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.104 4.266 7.534 1.00 0.00 H new ATOM 588 N MET A 73 -5.711 4.618 4.397 1.00 0.00 N ATOM 589 CA MET A 73 -6.102 5.166 3.097 1.00 0.00 C ATOM 590 C MET A 73 -7.511 4.639 2.848 1.00 0.00 C ATOM 591 O MET A 73 -7.814 3.481 3.146 1.00 0.00 O ATOM 592 CB MET A 73 -5.226 4.512 2.006 1.00 0.00 C ATOM 593 CG MET A 73 -3.935 3.813 2.432 1.00 0.00 C ATOM 594 SD MET A 73 -2.384 4.326 1.616 1.00 0.00 S ATOM 595 CE MET A 73 -2.654 3.958 -0.106 1.00 0.00 C ATOM 0 H MET A 73 -5.101 3.805 4.313 1.00 0.00 H new ATOM 0 HA MET A 73 -6.017 6.253 3.080 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.841 3.782 1.480 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.962 5.285 1.284 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.813 3.958 3.505 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.063 2.743 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.770 4.234 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.845 2.891 -0.225 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.513 4.523 -0.468 1.00 0.00 H new ATOM 596 N SER A 74 -8.287 5.404 2.088 1.00 0.00 N ATOM 597 CA SER A 74 -9.634 4.917 1.780 1.00 0.00 C ATOM 598 C SER A 74 -9.955 4.459 0.358 1.00 0.00 C ATOM 599 O SER A 74 -10.881 4.881 -0.318 1.00 0.00 O ATOM 600 CB SER A 74 -10.727 5.817 2.377 1.00 0.00 C ATOM 601 OG SER A 74 -12.030 5.292 2.091 1.00 0.00 O ATOM 0 H SER A 74 -8.033 6.309 1.693 1.00 0.00 H new ATOM 0 HA SER A 74 -9.631 3.957 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.590 5.896 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.638 6.824 1.970 1.00 0.00 H new ATOM 0 HG SER A 74 -12.107 5.112 1.131 1.00 0.00 H new ATOM 602 N LYS A 75 -9.191 3.416 0.043 1.00 0.00 N ATOM 603 CA LYS A 75 -9.810 2.118 -0.268 1.00 0.00 C ATOM 604 C LYS A 75 -9.664 1.297 0.999 1.00 0.00 C ATOM 605 O LYS A 75 -8.688 0.611 1.244 1.00 0.00 O ATOM 606 CB LYS A 75 -9.306 1.490 -1.555 1.00 0.00 C ATOM 607 CG LYS A 75 -9.424 2.439 -2.764 1.00 0.00 C ATOM 608 CD LYS A 75 -10.802 3.072 -3.052 1.00 0.00 C ATOM 609 CE LYS A 75 -11.827 2.092 -3.617 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.593 2.732 -4.703 1.00 0.00 N ATOM 0 H LYS A 75 -8.172 3.434 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.868 2.209 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.264 1.197 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.871 0.580 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.707 3.248 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.116 1.888 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.194 3.501 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.673 3.894 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.322 1.202 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.504 1.765 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.086 2.003 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.290 3.388 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.944 3.257 -5.323 1.00 0.00 H new ATOM 611 N GLU A 76 -10.752 1.296 1.749 1.00 0.00 N ATOM 612 CA GLU A 76 -10.686 1.194 3.206 1.00 0.00 C ATOM 613 C GLU A 76 -11.203 -0.211 3.602 1.00 0.00 C ATOM 614 O GLU A 76 -10.493 -1.203 3.444 1.00 0.00 O ATOM 615 CB GLU A 76 -11.547 2.358 3.685 1.00 0.00 C ATOM 616 CG GLU A 76 -11.332 2.719 5.155 1.00 0.00 C ATOM 617 CD GLU A 76 -9.912 3.241 5.445 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.708 4.464 5.252 1.00 0.00 O ATOM 619 OE2 GLU A 76 -9.090 2.427 5.917 1.00 0.00 O ATOM 0 H GLU A 76 -11.699 1.365 1.376 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.695 1.272 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.334 3.233 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.597 2.109 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.059 3.477 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.523 1.840 5.771 1.00 0.00 H new ATOM 620 N SER A 77 -12.501 -0.301 3.886 1.00 0.00 N ATOM 621 CA SER A 77 -13.244 -1.567 3.830 1.00 0.00 C ATOM 622 C SER A 77 -14.197 -1.395 2.639 1.00 0.00 C ATOM 623 O SER A 77 -15.318 -0.895 2.704 1.00 0.00 O ATOM 624 CB SER A 77 -14.006 -1.828 5.130 1.00 0.00 C ATOM 625 OG SER A 77 -14.665 -3.088 5.047 1.00 0.00 O ATOM 0 H SER A 77 -13.071 0.499 4.162 1.00 0.00 H new ATOM 0 HA SER A 77 -12.587 -2.428 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.318 -1.820 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.734 -1.035 5.303 1.00 0.00 H new ATOM 0 HG SER A 77 -15.633 -2.947 4.982 1.00 0.00 H new ATOM 626 N VAL A 78 -13.539 -1.618 1.508 1.00 0.00 N ATOM 627 CA VAL A 78 -13.992 -1.166 0.198 1.00 0.00 C ATOM 628 C VAL A 78 -14.413 -2.273 -0.760 1.00 0.00 C ATOM 629 O VAL A 78 -13.838 -3.347 -0.782 1.00 0.00 O ATOM 630 CB VAL A 78 -12.931 -0.171 -0.297 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.071 -0.550 -1.497 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.295 1.303 -0.218 1.00 0.00 C ATOM 0 H VAL A 78 -12.657 -2.129 1.475 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.950 -0.651 0.267 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.215 -0.315 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.375 0.260 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.512 -1.458 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.710 -0.723 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.467 1.903 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.184 1.491 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.496 1.573 0.819 1.00 0.00 H new ATOM 633 N ARG A 79 -15.596 -2.071 -1.320 1.00 0.00 N ATOM 634 CA ARG A 79 -16.482 -0.912 -1.033 1.00 0.00 C ATOM 635 C ARG A 79 -17.781 -1.345 -0.340 1.00 0.00 C ATOM 636 O ARG A 79 -18.768 -1.713 -0.978 1.00 0.00 O ATOM 637 CB ARG A 79 -16.778 -0.088 -2.286 1.00 0.00 C ATOM 638 CG ARG A 79 -16.483 1.347 -1.881 1.00 0.00 C ATOM 639 CD ARG A 79 -16.947 2.398 -2.896 1.00 0.00 C ATOM 640 NE ARG A 79 -16.240 2.292 -4.188 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.560 3.269 -4.798 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.365 4.454 -4.250 1.00 0.00 N ATOM 643 NH2 ARG A 79 -15.124 3.084 -6.038 1.00 0.00 N ATOM 0 H ARG A 79 -15.992 -2.714 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.936 -0.269 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.153 -0.400 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.815 -0.205 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.963 1.548 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.409 1.456 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.019 2.288 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.789 3.393 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.273 1.388 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.740 4.655 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.840 5.169 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.308 2.203 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.605 3.823 -6.512 1.00 0.00 H new ATOM 644 N ASN A 80 -17.685 -1.463 0.988 1.00 0.00 N ATOM 645 CA ASN A 80 -18.780 -1.980 1.821 1.00 0.00 C ATOM 646 C ASN A 80 -19.178 -1.097 3.025 1.00 0.00 C ATOM 647 O ASN A 80 -20.315 -1.272 3.517 1.00 0.00 O ATOM 648 CB ASN A 80 -18.412 -3.415 2.212 1.00 0.00 C ATOM 649 CG ASN A 80 -17.199 -3.519 3.141 1.00 0.00 C ATOM 650 OD1 ASN A 80 -17.144 -2.932 4.209 1.00 0.00 O ATOM 651 ND2 ASN A 80 -16.180 -4.247 2.727 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.338 -0.240 3.405 1.00 0.00 O ATOM 0 H ASN A 80 -16.851 -1.205 1.516 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.697 -1.963 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.270 -3.879 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.212 -3.987 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.340 -4.322 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.232 -4.735 1.833 1.00 0.00 H new