USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 749 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 59 MET CE :methyl -117:sc= -8.88! (180deg=-4.56!) USER MOD Set 1.2: A 88 MET CE :methyl 148:sc= -15.2! (180deg=-17.2!) USER MOD Set 1.3: B 72 THR OG1 : rot -133:sc= -7.9! USER MOD Set 2.1: A 51 THR OG1 : rot 118:sc= -2.58! USER MOD Set 2.2: A 97 MET CE :methyl 139:sc= -4.74! (180deg=-7.76!) USER MOD Set 3.1: A 28 THR OG1 : rot -79:sc= -5.78! USER MOD Set 3.2: A 39 THR OG1 : rot -93:sc= 0.928! USER MOD Set 4.1: A 13 SER OG : rot 28:sc= 1.05! USER MOD Set 4.2: A 32 THR OG1 : rot -170:sc= 1.79 USER MOD Single : A 3 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-3.1!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.62 K(o=-1.6,f=-5.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -109:sc= 0.654 USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.0427 (180deg=-0.482) USER MOD Single : A 38 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.0014) USER MOD Single : A 43 SER OG : rot 180:sc= -0.408 USER MOD Single : A 44 THR OG1 : rot 30:sc= -0.195 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 70:sc= -1.53 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -165:sc= -3.14! (180deg=-3.45!) USER MOD Single : A 87 HIS : no HD1:sc= -0.387 X(o=-0.39,f=0.047) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.106 X(o=-0.11,f=0.12) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.08 K(o=1.1,f=-0.43) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.3) USER MOD Single : A 106 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.548 -14.071 3.574 1.00 0.00 N ATOM 29 CA HIS A 3 1.074 -13.389 2.396 1.00 0.00 C ATOM 30 C HIS A 3 0.033 -13.325 1.291 1.00 0.00 C ATOM 31 O HIS A 3 -0.047 -12.342 0.555 1.00 0.00 O ATOM 32 CB HIS A 3 2.333 -14.096 1.891 1.00 0.00 C ATOM 33 CG HIS A 3 3.370 -14.301 2.952 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.130 -15.006 4.113 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.659 -13.892 3.023 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.225 -15.019 4.852 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.167 -14.351 4.213 1.00 0.00 N ATOM 0 HA HIS A 3 1.330 -12.369 2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.054 -15.064 1.475 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.766 -13.513 1.079 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.245 -15.448 4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.189 -13.313 2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.331 -15.495 5.815 1.00 0.00 H new ATOM 46 N SER A 4 -0.765 -14.373 1.183 1.00 0.00 N ATOM 47 CA SER A 4 -1.807 -14.425 0.168 1.00 0.00 C ATOM 48 C SER A 4 -3.115 -13.871 0.710 1.00 0.00 C ATOM 49 O SER A 4 -3.552 -14.223 1.806 1.00 0.00 O ATOM 50 CB SER A 4 -2.017 -15.852 -0.335 1.00 0.00 C ATOM 51 OG SER A 4 -2.472 -16.700 0.705 1.00 0.00 O ATOM 0 H SER A 4 -0.713 -15.197 1.782 1.00 0.00 H new ATOM 0 HA SER A 4 -1.481 -13.808 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.741 -15.850 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.082 -16.239 -0.740 1.00 0.00 H new ATOM 0 HG SER A 4 -2.600 -17.607 0.356 1.00 0.00 H new ATOM 57 N GLY A 5 -3.728 -13.001 -0.071 1.00 0.00 N ATOM 58 CA GLY A 5 -4.981 -12.392 0.317 1.00 0.00 C ATOM 59 C GLY A 5 -5.709 -11.835 -0.881 1.00 0.00 C ATOM 60 O GLY A 5 -5.224 -11.943 -2.005 1.00 0.00 O ATOM 0 H GLY A 5 -3.375 -12.701 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.608 -13.130 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.794 -11.594 1.036 1.00 0.00 H new ATOM 64 N ALA A 6 -6.869 -11.240 -0.658 1.00 0.00 N ATOM 65 CA ALA A 6 -7.635 -10.675 -1.755 1.00 0.00 C ATOM 66 C ALA A 6 -7.538 -9.158 -1.772 1.00 0.00 C ATOM 67 O ALA A 6 -7.564 -8.507 -0.727 1.00 0.00 O ATOM 68 CB ALA A 6 -9.085 -11.119 -1.684 1.00 0.00 C ATOM 0 H ALA A 6 -7.297 -11.136 0.262 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.207 -11.047 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.640 -10.684 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.136 -12.206 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.522 -10.786 -0.742 1.00 0.00 H new ATOM 74 N ALA A 7 -7.425 -8.607 -2.971 1.00 0.00 N ATOM 75 CA ALA A 7 -7.322 -7.167 -3.150 1.00 0.00 C ATOM 76 C ALA A 7 -7.919 -6.753 -4.484 1.00 0.00 C ATOM 77 O ALA A 7 -7.974 -7.551 -5.420 1.00 0.00 O ATOM 78 CB ALA A 7 -5.871 -6.722 -3.053 1.00 0.00 C ATOM 0 H ALA A 7 -7.402 -9.140 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.886 -6.679 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.812 -5.642 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.474 -6.986 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.286 -7.218 -3.827 1.00 0.00 H new ATOM 84 N ILE A 8 -8.371 -5.510 -4.574 1.00 0.00 N ATOM 85 CA ILE A 8 -8.964 -5.022 -5.807 1.00 0.00 C ATOM 86 C ILE A 8 -8.331 -3.713 -6.259 1.00 0.00 C ATOM 87 O ILE A 8 -7.960 -2.869 -5.444 1.00 0.00 O ATOM 88 CB ILE A 8 -10.483 -4.828 -5.661 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.152 -6.156 -5.321 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.064 -4.261 -6.947 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.320 -6.020 -4.369 1.00 0.00 C ATOM 0 H ILE A 8 -8.338 -4.829 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.773 -5.783 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.671 -4.124 -4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.498 -6.625 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.412 -6.824 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.140 -4.128 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.600 -3.299 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.869 -4.950 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.746 -7.004 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.977 -5.580 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.080 -5.378 -4.815 1.00 0.00 H new ATOM 103 N PHE A 9 -8.224 -3.558 -7.572 1.00 0.00 N ATOM 104 CA PHE A 9 -7.650 -2.359 -8.161 1.00 0.00 C ATOM 105 C PHE A 9 -8.377 -2.005 -9.456 1.00 0.00 C ATOM 106 O PHE A 9 -8.760 -2.888 -10.223 1.00 0.00 O ATOM 107 CB PHE A 9 -6.158 -2.559 -8.424 1.00 0.00 C ATOM 108 CG PHE A 9 -5.495 -1.356 -9.024 1.00 0.00 C ATOM 109 CD1 PHE A 9 -5.593 -1.109 -10.380 1.00 0.00 C ATOM 110 CD2 PHE A 9 -4.778 -0.474 -8.231 1.00 0.00 C ATOM 111 CE1 PHE A 9 -4.987 0.000 -10.941 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.169 0.636 -8.784 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.274 0.874 -10.142 1.00 0.00 C ATOM 0 H PHE A 9 -8.530 -4.254 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.770 -1.534 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.661 -2.809 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.025 -3.410 -9.092 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.149 -1.789 -11.008 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.694 -0.656 -7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.071 0.183 -12.002 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.612 1.316 -8.157 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.800 1.741 -10.578 1.00 0.00 H new ATOM 123 N GLU A 10 -8.574 -0.710 -9.687 1.00 0.00 N ATOM 124 CA GLU A 10 -9.269 -0.235 -10.880 1.00 0.00 C ATOM 125 C GLU A 10 -10.553 -1.019 -11.127 1.00 0.00 C ATOM 126 O GLU A 10 -10.895 -1.336 -12.266 1.00 0.00 O ATOM 127 CB GLU A 10 -8.359 -0.305 -12.104 1.00 0.00 C ATOM 128 CG GLU A 10 -7.794 1.046 -12.490 1.00 0.00 C ATOM 129 CD GLU A 10 -6.799 0.963 -13.631 1.00 0.00 C ATOM 130 OE1 GLU A 10 -6.275 -0.142 -13.882 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.544 2.003 -14.273 1.00 0.00 O ATOM 0 H GLU A 10 -8.261 0.032 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.539 0.807 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.538 -0.993 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.919 -0.714 -12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.611 1.709 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.308 1.493 -11.622 1.00 0.00 H new ATOM 138 N LYS A 11 -11.268 -1.308 -10.048 1.00 0.00 N ATOM 139 CA LYS A 11 -12.530 -2.033 -10.133 1.00 0.00 C ATOM 140 C LYS A 11 -12.331 -3.475 -10.599 1.00 0.00 C ATOM 141 O LYS A 11 -13.293 -4.145 -10.975 1.00 0.00 O ATOM 142 CB LYS A 11 -13.495 -1.310 -11.078 1.00 0.00 C ATOM 143 CG LYS A 11 -13.427 0.208 -10.982 1.00 0.00 C ATOM 144 CD LYS A 11 -14.151 0.721 -9.747 1.00 0.00 C ATOM 145 CE LYS A 11 -15.654 0.534 -9.865 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.405 1.665 -9.253 1.00 0.00 N ATOM 0 H LYS A 11 -10.995 -1.051 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.955 -2.063 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.278 -1.610 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.513 -1.633 -10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.385 0.525 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.870 0.650 -11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.786 0.195 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.925 1.778 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.927 0.444 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.943 -0.398 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.427 1.499 -9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.164 1.736 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.149 2.552 -9.733 1.00 0.00 H new ATOM 160 N VAL A 12 -11.092 -3.960 -10.562 1.00 0.00 N ATOM 161 CA VAL A 12 -10.808 -5.330 -10.971 1.00 0.00 C ATOM 162 C VAL A 12 -10.288 -6.128 -9.787 1.00 0.00 C ATOM 163 O VAL A 12 -9.261 -5.784 -9.204 1.00 0.00 O ATOM 164 CB VAL A 12 -9.778 -5.391 -12.115 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.783 -6.770 -12.758 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.060 -4.312 -13.151 1.00 0.00 C ATOM 0 H VAL A 12 -10.277 -3.429 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.742 -5.759 -11.334 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.787 -5.209 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.050 -6.798 -13.565 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.528 -7.521 -12.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.774 -6.980 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.321 -4.373 -13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.057 -4.458 -13.567 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.004 -3.331 -12.679 1.00 0.00 H new ATOM 176 N SER A 13 -11.009 -7.180 -9.417 1.00 0.00 N ATOM 177 CA SER A 13 -10.613 -7.997 -8.280 1.00 0.00 C ATOM 178 C SER A 13 -9.607 -9.067 -8.667 1.00 0.00 C ATOM 179 O SER A 13 -9.530 -9.491 -9.820 1.00 0.00 O ATOM 180 CB SER A 13 -11.829 -8.642 -7.620 1.00 0.00 C ATOM 181 OG SER A 13 -12.459 -9.561 -8.495 1.00 0.00 O ATOM 0 H SER A 13 -11.863 -7.484 -9.884 1.00 0.00 H new ATOM 0 HA SER A 13 -10.132 -7.328 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.522 -9.155 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.540 -7.869 -7.327 1.00 0.00 H new ATOM 0 HG SER A 13 -11.797 -9.924 -9.120 1.00 0.00 H new ATOM 187 N GLY A 14 -8.830 -9.479 -7.676 1.00 0.00 N ATOM 188 CA GLY A 14 -7.805 -10.480 -7.871 1.00 0.00 C ATOM 189 C GLY A 14 -7.225 -10.934 -6.550 1.00 0.00 C ATOM 190 O GLY A 14 -7.661 -10.480 -5.492 1.00 0.00 O ATOM 0 H GLY A 14 -8.896 -9.128 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.225 -11.336 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.012 -10.074 -8.499 1.00 0.00 H new ATOM 194 N ILE A 15 -6.242 -11.822 -6.596 1.00 0.00 N ATOM 195 CA ILE A 15 -5.620 -12.311 -5.376 1.00 0.00 C ATOM 196 C ILE A 15 -4.228 -11.720 -5.235 1.00 0.00 C ATOM 197 O ILE A 15 -3.441 -11.708 -6.181 1.00 0.00 O ATOM 198 CB ILE A 15 -5.523 -13.851 -5.341 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.738 -14.484 -6.023 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.406 -14.339 -3.901 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.656 -15.992 -6.124 1.00 0.00 C ATOM 0 H ILE A 15 -5.861 -12.215 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.253 -11.998 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.629 -14.154 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.637 -14.213 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.842 -14.066 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.338 -15.427 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.511 -13.915 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.285 -14.024 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.550 -16.373 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.775 -16.271 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.583 -16.420 -5.124 1.00 0.00 H new ATOM 213 N ILE A 16 -3.952 -11.200 -4.050 1.00 0.00 N ATOM 214 CA ILE A 16 -2.679 -10.564 -3.763 1.00 0.00 C ATOM 215 C ILE A 16 -1.808 -11.464 -2.887 1.00 0.00 C ATOM 216 O ILE A 16 -2.229 -11.893 -1.815 1.00 0.00 O ATOM 217 CB ILE A 16 -2.918 -9.215 -3.056 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.598 -8.504 -2.768 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.717 -9.414 -1.775 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.778 -7.038 -2.445 1.00 0.00 C ATOM 0 H ILE A 16 -4.602 -11.207 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.157 -10.392 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.499 -8.581 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.100 -8.997 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.942 -8.603 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.875 -8.450 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.681 -9.863 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.167 -10.072 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.805 -6.586 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.249 -6.535 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.410 -6.935 -1.563 1.00 0.00 H new ATOM 232 N ALA A 17 -0.602 -11.773 -3.360 1.00 0.00 N ATOM 233 CA ALA A 17 0.297 -12.653 -2.612 1.00 0.00 C ATOM 234 C ALA A 17 1.726 -12.118 -2.548 1.00 0.00 C ATOM 235 O ALA A 17 2.229 -11.548 -3.514 1.00 0.00 O ATOM 236 CB ALA A 17 0.300 -14.033 -3.245 1.00 0.00 C ATOM 0 H ALA A 17 -0.227 -11.433 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.076 -12.702 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.970 -14.688 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.709 -14.445 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.642 -13.959 -4.277 1.00 0.00 H new ATOM 242 N ILE A 18 2.385 -12.338 -1.406 1.00 0.00 N ATOM 243 CA ILE A 18 3.768 -11.907 -1.221 1.00 0.00 C ATOM 244 C ILE A 18 4.728 -13.032 -1.598 1.00 0.00 C ATOM 245 O ILE A 18 4.442 -14.208 -1.370 1.00 0.00 O ATOM 246 CB ILE A 18 4.057 -11.485 0.236 1.00 0.00 C ATOM 247 CG1 ILE A 18 2.843 -10.791 0.859 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.273 -10.573 0.287 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.370 -9.582 0.084 1.00 0.00 C ATOM 0 H ILE A 18 1.981 -12.812 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 18 3.917 -11.044 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 18 4.265 -12.384 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.025 -11.507 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.092 -10.485 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.467 -10.282 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.140 -11.100 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.085 -9.682 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.507 -9.143 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.173 -8.846 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.088 -9.884 -0.925 1.00 0.00 H new ATOM 261 N ASN A 19 5.862 -12.666 -2.181 1.00 0.00 N ATOM 262 CA ASN A 19 6.864 -13.642 -2.598 1.00 0.00 C ATOM 263 C ASN A 19 8.201 -13.375 -1.928 1.00 0.00 C ATOM 264 O ASN A 19 8.870 -12.386 -2.224 1.00 0.00 O ATOM 265 CB ASN A 19 7.031 -13.610 -4.118 1.00 0.00 C ATOM 266 CG ASN A 19 7.491 -14.942 -4.677 1.00 0.00 C ATOM 267 OD1 ASN A 19 8.685 -15.239 -4.704 1.00 0.00 O ATOM 268 ND2 ASN A 19 6.541 -15.753 -5.129 1.00 0.00 N ATOM 0 H ASN A 19 6.113 -11.697 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 19 6.518 -14.630 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.083 -13.333 -4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.753 -12.838 -4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.789 -16.663 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.563 -15.466 -5.087 1.00 0.00 H new ATOM 275 N GLU A 20 8.591 -14.279 -1.037 1.00 0.00 N ATOM 276 CA GLU A 20 9.860 -14.161 -0.335 1.00 0.00 C ATOM 277 C GLU A 20 10.823 -15.228 -0.828 1.00 0.00 C ATOM 278 O GLU A 20 11.701 -15.685 -0.096 1.00 0.00 O ATOM 279 CB GLU A 20 9.657 -14.284 1.176 1.00 0.00 C ATOM 280 CG GLU A 20 9.316 -12.967 1.853 1.00 0.00 C ATOM 281 CD GLU A 20 9.114 -13.115 3.349 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.089 -13.462 4.048 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.981 -12.884 3.821 1.00 0.00 O ATOM 0 H GLU A 20 8.045 -15.102 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 20 10.283 -13.178 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.858 -15.000 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.564 -14.689 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.115 -12.250 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.410 -12.557 1.407 1.00 0.00 H new ATOM 290 N ASP A 21 10.644 -15.613 -2.083 1.00 0.00 N ATOM 291 CA ASP A 21 11.485 -16.625 -2.709 1.00 0.00 C ATOM 292 C ASP A 21 12.503 -15.982 -3.644 1.00 0.00 C ATOM 293 O ASP A 21 13.560 -16.553 -3.914 1.00 0.00 O ATOM 294 CB ASP A 21 10.626 -17.627 -3.482 1.00 0.00 C ATOM 295 CG ASP A 21 10.056 -18.711 -2.588 1.00 0.00 C ATOM 296 OD1 ASP A 21 9.638 -18.389 -1.456 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.027 -19.883 -3.020 1.00 0.00 O ATOM 0 H ASP A 21 9.918 -15.237 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 21 12.023 -17.152 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.809 -17.098 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.226 -18.086 -4.267 1.00 0.00 H new ATOM 302 N VAL A 22 12.182 -14.787 -4.133 1.00 0.00 N ATOM 303 CA VAL A 22 13.077 -14.066 -5.034 1.00 0.00 C ATOM 304 C VAL A 22 13.877 -13.015 -4.272 1.00 0.00 C ATOM 305 O VAL A 22 13.576 -12.715 -3.116 1.00 0.00 O ATOM 306 CB VAL A 22 12.316 -13.381 -6.196 1.00 0.00 C ATOM 307 CG1 VAL A 22 12.559 -14.120 -7.502 1.00 0.00 C ATOM 308 CG2 VAL A 22 10.824 -13.284 -5.905 1.00 0.00 C ATOM 0 H VAL A 22 11.312 -14.299 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 22 13.752 -14.808 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 22 12.701 -12.366 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.016 -13.624 -8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.625 -14.118 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.210 -15.148 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.321 -12.798 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.414 -14.285 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.667 -12.700 -4.998 1.00 0.00 H new ATOM 318 N SER A 23 14.898 -12.455 -4.919 1.00 0.00 N ATOM 319 CA SER A 23 15.732 -11.436 -4.286 1.00 0.00 C ATOM 320 C SER A 23 14.866 -10.343 -3.662 1.00 0.00 C ATOM 321 O SER A 23 14.793 -10.231 -2.438 1.00 0.00 O ATOM 322 CB SER A 23 16.712 -10.834 -5.292 1.00 0.00 C ATOM 323 OG SER A 23 17.984 -11.451 -5.200 1.00 0.00 O ATOM 0 H SER A 23 15.166 -12.688 -5.875 1.00 0.00 H new ATOM 0 HA SER A 23 16.308 -11.914 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.319 -10.953 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.810 -9.763 -5.112 1.00 0.00 H new ATOM 0 HG SER A 23 18.591 -11.048 -5.856 1.00 0.00 H new ATOM 329 N PRO A 24 14.175 -9.531 -4.486 1.00 0.00 N ATOM 330 CA PRO A 24 13.303 -8.479 -3.982 1.00 0.00 C ATOM 331 C PRO A 24 11.965 -9.038 -3.544 1.00 0.00 C ATOM 332 O PRO A 24 11.018 -9.076 -4.328 1.00 0.00 O ATOM 333 CB PRO A 24 13.108 -7.570 -5.185 1.00 0.00 C ATOM 334 CG PRO A 24 13.207 -8.486 -6.358 1.00 0.00 C ATOM 335 CD PRO A 24 14.163 -9.587 -5.962 1.00 0.00 C ATOM 0 HA PRO A 24 13.726 -7.974 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.141 -7.069 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.870 -6.791 -5.223 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.230 -8.894 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.571 -7.953 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.825 -10.559 -6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.157 -9.421 -6.376 1.00 0.00 H new ATOM 343 N ALA A 25 11.890 -9.474 -2.294 1.00 0.00 N ATOM 344 CA ALA A 25 10.652 -10.032 -1.761 1.00 0.00 C ATOM 345 C ALA A 25 9.489 -9.144 -2.149 1.00 0.00 C ATOM 346 O ALA A 25 9.243 -8.122 -1.523 1.00 0.00 O ATOM 347 CB ALA A 25 10.723 -10.183 -0.256 1.00 0.00 C ATOM 0 H ALA A 25 12.666 -9.453 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 25 10.507 -11.025 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.786 -10.601 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.545 -10.850 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.889 -9.207 0.200 1.00 0.00 H new ATOM 353 N GLU A 26 8.816 -9.527 -3.217 1.00 0.00 N ATOM 354 CA GLU A 26 7.706 -8.750 -3.749 1.00 0.00 C ATOM 355 C GLU A 26 6.413 -9.551 -3.781 1.00 0.00 C ATOM 356 O GLU A 26 6.416 -10.757 -3.557 1.00 0.00 O ATOM 357 CB GLU A 26 8.058 -8.250 -5.144 1.00 0.00 C ATOM 358 CG GLU A 26 8.563 -9.339 -6.077 1.00 0.00 C ATOM 359 CD GLU A 26 7.476 -10.318 -6.473 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.393 -9.863 -6.898 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.707 -11.540 -6.359 1.00 0.00 O ATOM 0 H GLU A 26 9.019 -10.379 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 26 7.539 -7.901 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.177 -7.785 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.819 -7.474 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.978 -8.880 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.375 -9.880 -5.592 1.00 0.00 H new ATOM 368 N LEU A 27 5.308 -8.867 -4.063 1.00 0.00 N ATOM 369 CA LEU A 27 4.010 -9.500 -4.122 1.00 0.00 C ATOM 370 C LEU A 27 3.388 -9.271 -5.483 1.00 0.00 C ATOM 371 O LEU A 27 3.625 -8.240 -6.113 1.00 0.00 O ATOM 372 CB LEU A 27 3.099 -8.938 -3.028 1.00 0.00 C ATOM 373 CG LEU A 27 2.852 -7.430 -3.107 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.512 -7.141 -3.767 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.910 -6.806 -1.721 1.00 0.00 C ATOM 0 H LEU A 27 5.295 -7.865 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 27 4.131 -10.571 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.139 -9.452 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.536 -9.169 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 27 3.638 -6.985 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.354 -6.063 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.507 -7.553 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.713 -7.599 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.732 -5.733 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.146 -7.256 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.893 -6.981 -1.284 1.00 0.00 H new ATOM 387 N THR A 28 2.596 -10.225 -5.945 1.00 0.00 N ATOM 388 CA THR A 28 1.963 -10.086 -7.242 1.00 0.00 C ATOM 389 C THR A 28 0.461 -10.276 -7.148 1.00 0.00 C ATOM 390 O THR A 28 -0.034 -11.191 -6.492 1.00 0.00 O ATOM 391 CB THR A 28 2.590 -11.053 -8.251 1.00 0.00 C ATOM 392 OG1 THR A 28 3.322 -10.349 -9.228 1.00 0.00 O ATOM 393 CG2 THR A 28 1.595 -11.927 -8.985 1.00 0.00 C ATOM 0 H THR A 28 2.380 -11.090 -5.449 1.00 0.00 H new ATOM 0 HA THR A 28 2.135 -9.070 -7.597 1.00 0.00 H new ATOM 0 HB THR A 28 3.227 -11.698 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.706 -9.980 -9.896 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.126 -12.580 -9.678 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.043 -12.533 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.898 -11.298 -9.540 1.00 0.00 H new ATOM 401 N TRP A 29 -0.246 -9.389 -7.821 1.00 0.00 N ATOM 402 CA TRP A 29 -1.697 -9.415 -7.847 1.00 0.00 C ATOM 403 C TRP A 29 -2.196 -10.153 -9.084 1.00 0.00 C ATOM 404 O TRP A 29 -1.652 -9.989 -10.171 1.00 0.00 O ATOM 405 CB TRP A 29 -2.224 -7.983 -7.837 1.00 0.00 C ATOM 406 CG TRP A 29 -3.698 -7.881 -7.634 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.375 -8.006 -6.456 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.680 -7.618 -8.638 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.720 -7.833 -6.666 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.932 -7.595 -7.998 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.622 -7.399 -10.018 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.115 -7.360 -8.687 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.801 -7.168 -10.701 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.032 -7.149 -10.035 1.00 0.00 C ATOM 0 H TRP A 29 0.167 -8.631 -8.364 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.063 -9.943 -6.967 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.719 -7.426 -7.047 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.963 -7.504 -8.781 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.919 -8.211 -5.499 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.443 -7.875 -5.948 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.676 -7.410 -10.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.066 -7.345 -8.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.772 -6.999 -11.767 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.935 -6.964 -10.598 1.00 0.00 H new ATOM 425 N ARG A 30 -3.227 -10.970 -8.918 1.00 0.00 N ATOM 426 CA ARG A 30 -3.780 -11.725 -10.039 1.00 0.00 C ATOM 427 C ARG A 30 -5.302 -11.639 -10.062 1.00 0.00 C ATOM 428 O ARG A 30 -5.967 -12.054 -9.115 1.00 0.00 O ATOM 429 CB ARG A 30 -3.342 -13.189 -9.959 1.00 0.00 C ATOM 430 CG ARG A 30 -3.444 -13.927 -11.284 1.00 0.00 C ATOM 431 CD ARG A 30 -2.730 -15.268 -11.230 1.00 0.00 C ATOM 432 NE ARG A 30 -2.810 -15.982 -12.502 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.044 -17.024 -12.817 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.140 -17.477 -11.957 1.00 0.00 N ATOM 435 NH2 ARG A 30 -2.182 -17.616 -13.996 1.00 0.00 N ATOM 0 H ARG A 30 -3.696 -11.128 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.398 -11.286 -10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.311 -13.233 -9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.954 -13.703 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.493 -14.082 -11.536 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.013 -13.315 -12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.684 -15.111 -10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.168 -15.881 -10.442 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.493 -15.663 -13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.029 -17.026 -11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.556 -18.276 -12.204 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.875 -17.273 -14.661 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.595 -18.414 -14.238 1.00 0.00 H new ATOM 449 N SER A 31 -5.851 -11.101 -11.150 1.00 0.00 N ATOM 450 CA SER A 31 -7.299 -10.967 -11.285 1.00 0.00 C ATOM 451 C SER A 31 -8.006 -12.285 -10.979 1.00 0.00 C ATOM 452 O SER A 31 -7.524 -13.358 -11.342 1.00 0.00 O ATOM 453 CB SER A 31 -7.663 -10.498 -12.694 1.00 0.00 C ATOM 454 OG SER A 31 -6.886 -11.168 -13.671 1.00 0.00 O ATOM 0 H SER A 31 -5.318 -10.753 -11.947 1.00 0.00 H new ATOM 0 HA SER A 31 -7.633 -10.222 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.722 -10.680 -12.879 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.506 -9.422 -12.775 1.00 0.00 H new ATOM 0 HG SER A 31 -6.241 -10.542 -14.062 1.00 0.00 H new ATOM 460 N THR A 32 -9.152 -12.196 -10.310 1.00 0.00 N ATOM 461 CA THR A 32 -9.923 -13.381 -9.957 1.00 0.00 C ATOM 462 C THR A 32 -10.357 -14.132 -11.207 1.00 0.00 C ATOM 463 O THR A 32 -10.435 -15.361 -11.215 1.00 0.00 O ATOM 464 CB THR A 32 -11.148 -12.993 -9.127 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.574 -11.681 -9.445 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.900 -13.046 -7.635 1.00 0.00 C ATOM 0 H THR A 32 -9.566 -11.316 -10.002 1.00 0.00 H new ATOM 0 HA THR A 32 -9.287 -14.036 -9.362 1.00 0.00 H new ATOM 0 HB THR A 32 -11.912 -13.728 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.258 -11.395 -8.804 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.808 -12.760 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.617 -14.059 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.096 -12.358 -7.375 1.00 0.00 H new ATOM 505 N LYS A 36 -6.167 -10.146 -15.941 1.00 0.00 N ATOM 506 CA LYS A 36 -4.971 -9.337 -15.751 1.00 0.00 C ATOM 507 C LYS A 36 -4.057 -9.923 -14.681 1.00 0.00 C ATOM 508 O LYS A 36 -4.453 -10.800 -13.914 1.00 0.00 O ATOM 509 CB LYS A 36 -5.351 -7.909 -15.374 1.00 0.00 C ATOM 510 CG LYS A 36 -6.325 -7.817 -14.215 1.00 0.00 C ATOM 511 CD LYS A 36 -6.750 -6.379 -13.965 1.00 0.00 C ATOM 512 CE LYS A 36 -5.552 -5.475 -13.713 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.118 -4.770 -14.950 1.00 0.00 N ATOM 0 HA LYS A 36 -4.428 -9.333 -16.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.446 -7.358 -15.119 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.789 -7.419 -16.243 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.203 -8.427 -14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.863 -8.224 -13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.310 -6.010 -14.824 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.421 -6.342 -13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.805 -4.742 -12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.725 -6.069 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.080 -4.789 -15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.526 -5.244 -15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.444 -3.783 -14.920 1.00 0.00 H new ATOM 527 N VAL A 37 -2.830 -9.418 -14.639 1.00 0.00 N ATOM 528 CA VAL A 37 -1.839 -9.864 -13.669 1.00 0.00 C ATOM 529 C VAL A 37 -0.942 -8.706 -13.252 1.00 0.00 C ATOM 530 O VAL A 37 -0.395 -7.998 -14.098 1.00 0.00 O ATOM 531 CB VAL A 37 -0.963 -11.003 -14.228 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.202 -11.691 -13.105 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.810 -12.006 -14.998 1.00 0.00 C ATOM 0 H VAL A 37 -2.496 -8.692 -15.273 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.386 -10.240 -12.804 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.239 -10.571 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.411 -12.492 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.439 -10.966 -12.602 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.909 -12.108 -12.388 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.172 -12.801 -15.384 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.561 -12.434 -14.334 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.305 -11.503 -15.829 1.00 0.00 H new ATOM 543 N HIS A 38 -0.794 -8.513 -11.949 1.00 0.00 N ATOM 544 CA HIS A 38 0.035 -7.439 -11.427 1.00 0.00 C ATOM 545 C HIS A 38 1.138 -7.985 -10.529 1.00 0.00 C ATOM 546 O HIS A 38 0.990 -9.032 -9.902 1.00 0.00 O ATOM 547 CB HIS A 38 -0.821 -6.431 -10.656 1.00 0.00 C ATOM 548 CG HIS A 38 -0.690 -5.027 -11.161 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.355 -3.963 -10.349 1.00 0.00 N ATOM 550 CD2 HIS A 38 -0.851 -4.513 -12.403 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.317 -2.857 -11.070 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.613 -3.163 -12.319 1.00 0.00 N ATOM 0 H HIS A 38 -1.239 -9.088 -11.234 1.00 0.00 H new ATOM 0 HA HIS A 38 0.502 -6.934 -12.272 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.866 -6.734 -10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.540 -6.458 -9.603 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.117 -5.062 -13.294 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.083 -1.870 -10.700 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.658 -2.504 -13.096 1.00 0.00 H new ATOM 561 N THR A 39 2.243 -7.262 -10.482 1.00 0.00 N ATOM 562 CA THR A 39 3.395 -7.639 -9.671 1.00 0.00 C ATOM 563 C THR A 39 4.017 -6.387 -9.061 1.00 0.00 C ATOM 564 O THR A 39 4.652 -5.601 -9.765 1.00 0.00 O ATOM 565 CB THR A 39 4.434 -8.339 -10.547 1.00 0.00 C ATOM 566 OG1 THR A 39 3.836 -9.360 -11.325 1.00 0.00 O ATOM 567 CG2 THR A 39 5.568 -8.959 -9.759 1.00 0.00 C ATOM 0 H THR A 39 2.370 -6.395 -11.004 1.00 0.00 H new ATOM 0 HA THR A 39 3.072 -8.314 -8.879 1.00 0.00 H new ATOM 0 HB THR A 39 4.846 -7.554 -11.182 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.894 -10.213 -10.846 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.268 -9.438 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.086 -8.183 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.168 -9.703 -9.070 1.00 0.00 H new ATOM 575 N VAL A 40 3.839 -6.196 -7.763 1.00 0.00 N ATOM 576 CA VAL A 40 4.396 -5.029 -7.094 1.00 0.00 C ATOM 577 C VAL A 40 5.683 -5.388 -6.368 1.00 0.00 C ATOM 578 O VAL A 40 5.659 -6.113 -5.373 1.00 0.00 O ATOM 579 CB VAL A 40 3.400 -4.423 -6.086 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.937 -3.112 -5.530 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.036 -4.219 -6.734 1.00 0.00 C ATOM 0 H VAL A 40 3.318 -6.828 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 40 4.606 -4.289 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 40 3.279 -5.121 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.221 -2.698 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.886 -3.292 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.089 -2.406 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.348 -3.790 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.134 -3.542 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.649 -5.178 -7.078 1.00 0.00 H new ATOM 591 N VAL A 41 6.812 -4.889 -6.868 1.00 0.00 N ATOM 592 CA VAL A 41 8.091 -5.187 -6.244 1.00 0.00 C ATOM 593 C VAL A 41 8.258 -4.433 -4.937 1.00 0.00 C ATOM 594 O VAL A 41 8.590 -3.248 -4.922 1.00 0.00 O ATOM 595 CB VAL A 41 9.291 -4.886 -7.158 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.574 -5.431 -6.534 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.071 -5.477 -8.542 1.00 0.00 C ATOM 0 H VAL A 41 6.864 -4.287 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 41 8.078 -6.259 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 41 9.388 -3.806 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.418 -5.213 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.736 -4.960 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.485 -6.509 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.931 -5.253 -9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.951 -6.557 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.174 -5.044 -8.984 1.00 0.00 H new ATOM 607 N LEU A 42 8.035 -5.142 -3.839 1.00 0.00 N ATOM 608 CA LEU A 42 8.165 -4.571 -2.506 1.00 0.00 C ATOM 609 C LEU A 42 9.513 -3.879 -2.335 1.00 0.00 C ATOM 610 O LEU A 42 9.672 -3.009 -1.479 1.00 0.00 O ATOM 611 CB LEU A 42 8.024 -5.675 -1.466 1.00 0.00 C ATOM 612 CG LEU A 42 6.644 -6.340 -1.410 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.712 -7.679 -0.685 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.639 -5.419 -0.736 1.00 0.00 C ATOM 0 H LEU A 42 7.760 -6.124 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 42 7.379 -3.828 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.772 -6.442 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.251 -5.260 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 42 6.315 -6.526 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.720 -8.130 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.399 -8.343 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.066 -7.523 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.664 -5.905 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.969 -5.201 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.562 -4.489 -1.300 1.00 0.00 H new ATOM 626 N SER A 43 10.483 -4.271 -3.156 1.00 0.00 N ATOM 627 CA SER A 43 11.815 -3.682 -3.091 1.00 0.00 C ATOM 628 C SER A 43 11.749 -2.218 -3.475 1.00 0.00 C ATOM 629 O SER A 43 12.212 -1.343 -2.743 1.00 0.00 O ATOM 630 CB SER A 43 12.784 -4.436 -4.007 1.00 0.00 C ATOM 631 OG SER A 43 12.974 -3.755 -5.236 1.00 0.00 O ATOM 0 H SER A 43 10.372 -4.990 -3.870 1.00 0.00 H new ATOM 0 HA SER A 43 12.185 -3.762 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.744 -4.555 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.399 -5.437 -4.200 1.00 0.00 H new ATOM 0 HG SER A 43 13.599 -4.261 -5.797 1.00 0.00 H new ATOM 637 N THR A 44 11.144 -1.966 -4.619 1.00 0.00 N ATOM 638 CA THR A 44 10.974 -0.618 -5.112 1.00 0.00 C ATOM 639 C THR A 44 9.955 0.121 -4.254 1.00 0.00 C ATOM 640 O THR A 44 9.932 1.352 -4.218 1.00 0.00 O ATOM 641 CB THR A 44 10.508 -0.651 -6.565 1.00 0.00 C ATOM 642 OG1 THR A 44 9.595 -1.713 -6.773 1.00 0.00 O ATOM 643 CG2 THR A 44 11.639 -0.817 -7.556 1.00 0.00 C ATOM 0 H THR A 44 10.759 -2.687 -5.229 1.00 0.00 H new ATOM 0 HA THR A 44 11.929 -0.095 -5.059 1.00 0.00 H new ATOM 0 HB THR A 44 10.037 0.317 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.101 -1.887 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.236 -0.832 -8.569 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.336 0.015 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.161 -1.753 -7.359 1.00 0.00 H new ATOM 651 N ILE A 45 9.113 -0.643 -3.556 1.00 0.00 N ATOM 652 CA ILE A 45 8.094 -0.056 -2.694 1.00 0.00 C ATOM 653 C ILE A 45 8.551 -0.035 -1.239 1.00 0.00 C ATOM 654 O ILE A 45 8.492 -1.049 -0.544 1.00 0.00 O ATOM 655 CB ILE A 45 6.761 -0.822 -2.790 1.00 0.00 C ATOM 656 CG1 ILE A 45 6.372 -1.030 -4.255 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.666 -0.072 -2.047 1.00 0.00 C ATOM 658 CD1 ILE A 45 6.117 0.260 -5.003 1.00 0.00 C ATOM 0 H ILE A 45 9.118 -1.663 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 45 7.940 0.966 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 45 6.886 -1.800 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.166 -1.581 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.476 -1.649 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.730 -0.625 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.943 0.030 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.540 0.917 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.846 0.035 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.302 0.803 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.019 0.873 -4.990 1.00 0.00 H new ATOM 670 N ASP A 46 9.008 1.128 -0.785 1.00 0.00 N ATOM 671 CA ASP A 46 9.479 1.283 0.588 1.00 0.00 C ATOM 672 C ASP A 46 8.360 1.758 1.516 1.00 0.00 C ATOM 673 O ASP A 46 8.579 1.950 2.712 1.00 0.00 O ATOM 674 CB ASP A 46 10.643 2.272 0.635 1.00 0.00 C ATOM 675 CG ASP A 46 11.330 2.293 1.987 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.842 3.005 2.890 1.00 0.00 O ATOM 677 OD2 ASP A 46 12.356 1.598 2.143 1.00 0.00 O ATOM 0 H ASP A 46 9.062 1.977 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 46 9.815 0.306 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.369 2.011 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.277 3.272 0.401 1.00 0.00 H new ATOM 682 N LYS A 47 7.165 1.949 0.964 1.00 0.00 N ATOM 683 CA LYS A 47 6.026 2.404 1.755 1.00 0.00 C ATOM 684 C LYS A 47 4.882 1.396 1.704 1.00 0.00 C ATOM 685 O LYS A 47 4.638 0.763 0.676 1.00 0.00 O ATOM 686 CB LYS A 47 5.542 3.765 1.257 1.00 0.00 C ATOM 687 CG LYS A 47 5.892 4.912 2.191 1.00 0.00 C ATOM 688 CD LYS A 47 7.333 5.359 2.008 1.00 0.00 C ATOM 689 CE LYS A 47 7.433 6.541 1.057 1.00 0.00 C ATOM 690 NZ LYS A 47 8.846 6.864 0.720 1.00 0.00 N ATOM 0 H LYS A 47 6.961 1.797 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 47 6.355 2.498 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.977 3.960 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.461 3.731 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.223 5.752 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.734 4.602 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.756 5.632 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.926 4.530 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.883 6.319 0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.959 7.412 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.871 7.675 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.365 7.101 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.291 6.042 0.265 1.00 0.00 H new ATOM 704 N LEU A 48 4.183 1.265 2.824 1.00 0.00 N ATOM 705 CA LEU A 48 3.053 0.349 2.936 1.00 0.00 C ATOM 706 C LEU A 48 2.074 0.875 3.979 1.00 0.00 C ATOM 707 O LEU A 48 2.434 1.055 5.142 1.00 0.00 O ATOM 708 CB LEU A 48 3.543 -1.057 3.311 1.00 0.00 C ATOM 709 CG LEU A 48 2.492 -1.995 3.919 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.331 -1.725 5.408 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.158 -1.855 3.197 1.00 0.00 C ATOM 0 H LEU A 48 4.381 1.788 3.677 1.00 0.00 H new ATOM 0 HA LEU A 48 2.544 0.284 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.949 -1.529 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.365 -0.957 4.020 1.00 0.00 H new ATOM 0 HG LEU A 48 2.837 -3.021 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.581 -2.400 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.283 -1.888 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.013 -0.693 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.429 -2.530 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.803 -0.828 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.286 -2.107 2.144 1.00 0.00 H new ATOM 723 N GLN A 49 0.845 1.148 3.557 1.00 0.00 N ATOM 724 CA GLN A 49 -0.157 1.686 4.469 1.00 0.00 C ATOM 725 C GLN A 49 -1.452 0.876 4.460 1.00 0.00 C ATOM 726 O GLN A 49 -1.995 0.556 3.404 1.00 0.00 O ATOM 727 CB GLN A 49 -0.460 3.140 4.107 1.00 0.00 C ATOM 728 CG GLN A 49 0.767 3.942 3.701 1.00 0.00 C ATOM 729 CD GLN A 49 0.727 4.383 2.251 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.363 3.778 1.388 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.023 5.444 1.976 1.00 0.00 N ATOM 0 H GLN A 49 0.521 1.008 2.600 1.00 0.00 H new ATOM 0 HA GLN A 49 0.259 1.626 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.181 3.158 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.934 3.626 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.849 4.820 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.660 3.341 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.534 5.915 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.088 5.788 1.018 1.00 0.00 H new ATOM 740 N ALA A 50 -1.948 0.578 5.658 1.00 0.00 N ATOM 741 CA ALA A 50 -3.192 -0.164 5.827 1.00 0.00 C ATOM 742 C ALA A 50 -4.135 0.605 6.743 1.00 0.00 C ATOM 743 O ALA A 50 -3.697 1.452 7.519 1.00 0.00 O ATOM 744 CB ALA A 50 -2.918 -1.545 6.396 1.00 0.00 C ATOM 0 H ALA A 50 -1.500 0.843 6.535 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.662 -0.282 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.859 -2.083 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.268 -2.096 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.430 -1.449 7.366 1.00 0.00 H new ATOM 750 N THR A 51 -5.428 0.326 6.656 1.00 0.00 N ATOM 751 CA THR A 51 -6.395 1.030 7.490 1.00 0.00 C ATOM 752 C THR A 51 -6.386 0.510 8.930 1.00 0.00 C ATOM 753 O THR A 51 -6.723 -0.645 9.190 1.00 0.00 O ATOM 754 CB THR A 51 -7.796 0.928 6.896 1.00 0.00 C ATOM 755 OG1 THR A 51 -7.959 -0.292 6.204 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.104 2.053 5.932 1.00 0.00 C ATOM 0 H THR A 51 -5.828 -0.371 6.028 1.00 0.00 H new ATOM 0 HA THR A 51 -6.101 2.079 7.515 1.00 0.00 H new ATOM 0 HB THR A 51 -8.482 0.989 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.672 -0.815 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.114 1.930 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.031 3.008 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.390 2.032 5.109 1.00 0.00 H new ATOM 764 N PRO A 52 -5.997 1.377 9.884 1.00 0.00 N ATOM 765 CA PRO A 52 -5.931 1.055 11.304 1.00 0.00 C ATOM 766 C PRO A 52 -7.247 1.340 12.015 1.00 0.00 C ATOM 767 O PRO A 52 -8.136 1.975 11.450 1.00 0.00 O ATOM 768 CB PRO A 52 -4.837 1.990 11.804 1.00 0.00 C ATOM 769 CG PRO A 52 -4.977 3.212 10.961 1.00 0.00 C ATOM 770 CD PRO A 52 -5.584 2.774 9.647 1.00 0.00 C ATOM 0 HA PRO A 52 -5.733 -0.001 11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.965 2.221 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.850 1.542 11.692 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.612 3.949 11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.007 3.683 10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.434 3.399 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.863 2.843 8.833 1.00 0.00 H new ATOM 778 N ALA A 53 -7.366 0.852 13.251 1.00 0.00 N ATOM 779 CA ALA A 53 -8.573 1.036 14.068 1.00 0.00 C ATOM 780 C ALA A 53 -9.249 2.401 13.861 1.00 0.00 C ATOM 781 O ALA A 53 -10.426 2.564 14.180 1.00 0.00 O ATOM 782 CB ALA A 53 -8.238 0.840 15.539 1.00 0.00 C ATOM 0 H ALA A 53 -6.631 0.319 13.716 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.289 0.282 13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.138 0.978 16.139 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.850 -0.167 15.693 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.486 1.568 15.841 1.00 0.00 H new ATOM 788 N SER A 54 -8.515 3.370 13.320 1.00 0.00 N ATOM 789 CA SER A 54 -9.071 4.698 13.069 1.00 0.00 C ATOM 790 C SER A 54 -10.243 4.602 12.114 1.00 0.00 C ATOM 791 O SER A 54 -11.191 5.385 12.181 1.00 0.00 O ATOM 792 CB SER A 54 -8.003 5.574 12.436 1.00 0.00 C ATOM 793 OG SER A 54 -6.845 5.645 13.250 1.00 0.00 O ATOM 0 H SER A 54 -7.538 3.262 13.048 1.00 0.00 H new ATOM 0 HA SER A 54 -9.405 5.125 14.014 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.737 5.177 11.456 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.400 6.577 12.276 1.00 0.00 H new ATOM 0 HG SER A 54 -6.175 6.214 12.817 1.00 0.00 H new ATOM 799 N SER A 55 -10.164 3.626 11.235 1.00 0.00 N ATOM 800 CA SER A 55 -11.206 3.389 10.255 1.00 0.00 C ATOM 801 C SER A 55 -11.462 1.898 10.079 1.00 0.00 C ATOM 802 O SER A 55 -10.553 1.144 9.733 1.00 0.00 O ATOM 803 CB SER A 55 -10.802 4.000 8.923 1.00 0.00 C ATOM 804 OG SER A 55 -11.432 5.253 8.722 1.00 0.00 O ATOM 0 H SER A 55 -9.380 2.976 11.178 1.00 0.00 H new ATOM 0 HA SER A 55 -12.125 3.855 10.611 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.720 4.125 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.069 3.322 8.113 1.00 0.00 H new ATOM 0 HG SER A 55 -11.055 5.912 9.342 1.00 0.00 H new ATOM 810 N GLU A 56 -12.705 1.477 10.286 1.00 0.00 N ATOM 811 CA GLU A 56 -13.061 0.074 10.110 1.00 0.00 C ATOM 812 C GLU A 56 -12.717 -0.370 8.689 1.00 0.00 C ATOM 813 O GLU A 56 -12.564 -1.559 8.412 1.00 0.00 O ATOM 814 CB GLU A 56 -14.552 -0.139 10.382 1.00 0.00 C ATOM 815 CG GLU A 56 -14.876 -1.509 10.955 1.00 0.00 C ATOM 816 CD GLU A 56 -16.293 -1.599 11.485 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.233 -1.299 10.719 1.00 0.00 O ATOM 818 OE2 GLU A 56 -16.463 -1.969 12.665 1.00 0.00 O ATOM 0 H GLU A 56 -13.476 2.080 10.573 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.493 -0.525 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.899 0.627 11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.105 -0.003 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.732 -2.265 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.176 -1.737 11.759 1.00 0.00 H new ATOM 825 N LYS A 57 -12.591 0.613 7.798 1.00 0.00 N ATOM 826 CA LYS A 57 -12.259 0.372 6.401 1.00 0.00 C ATOM 827 C LYS A 57 -11.049 -0.551 6.265 1.00 0.00 C ATOM 828 O LYS A 57 -10.192 -0.602 7.147 1.00 0.00 O ATOM 829 CB LYS A 57 -11.990 1.713 5.710 1.00 0.00 C ATOM 830 CG LYS A 57 -13.199 2.636 5.722 1.00 0.00 C ATOM 831 CD LYS A 57 -12.986 3.825 6.646 1.00 0.00 C ATOM 832 CE LYS A 57 -14.069 4.877 6.466 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.006 4.913 7.623 1.00 0.00 N ATOM 0 H LYS A 57 -12.717 1.599 8.028 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.102 -0.126 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.155 2.210 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.688 1.531 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.396 2.991 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.080 2.079 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.978 3.485 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.010 4.269 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.607 5.856 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.627 4.671 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.729 5.643 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.466 3.986 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.478 5.135 8.491 1.00 0.00 H new ATOM 847 N MET A 58 -10.993 -1.279 5.154 1.00 0.00 N ATOM 848 CA MET A 58 -9.894 -2.204 4.892 1.00 0.00 C ATOM 849 C MET A 58 -9.258 -1.912 3.538 1.00 0.00 C ATOM 850 O MET A 58 -9.928 -1.951 2.506 1.00 0.00 O ATOM 851 CB MET A 58 -10.396 -3.646 4.925 1.00 0.00 C ATOM 852 CG MET A 58 -11.709 -3.844 4.190 1.00 0.00 C ATOM 853 SD MET A 58 -13.143 -3.524 5.232 1.00 0.00 S ATOM 854 CE MET A 58 -14.443 -4.213 4.215 1.00 0.00 C ATOM 0 H MET A 58 -11.698 -1.246 4.418 1.00 0.00 H new ATOM 0 HA MET A 58 -9.142 -2.069 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.640 -4.296 4.485 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.519 -3.957 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.739 -3.183 3.324 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.759 -4.866 3.813 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.411 -3.867 4.578 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.307 -3.891 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.405 -5.301 4.264 1.00 0.00 H new ATOM 864 N MET A 59 -7.964 -1.616 3.547 1.00 0.00 N ATOM 865 CA MET A 59 -7.245 -1.314 2.318 1.00 0.00 C ATOM 866 C MET A 59 -5.738 -1.327 2.544 1.00 0.00 C ATOM 867 O MET A 59 -5.270 -1.240 3.678 1.00 0.00 O ATOM 868 CB MET A 59 -7.680 0.050 1.778 1.00 0.00 C ATOM 869 CG MET A 59 -7.540 1.167 2.797 1.00 0.00 C ATOM 870 SD MET A 59 -9.037 2.162 2.965 1.00 0.00 S ATOM 871 CE MET A 59 -8.338 3.753 3.415 1.00 0.00 C ATOM 0 H MET A 59 -7.393 -1.579 4.391 1.00 0.00 H new ATOM 0 HA MET A 59 -7.486 -2.086 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.084 0.292 0.898 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.719 -0.009 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.286 0.737 3.766 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.712 1.813 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.677 4.030 4.413 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.250 3.688 3.406 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.662 4.508 2.699 1.00 0.00 H new ATOM 881 N LEU A 60 -4.985 -1.424 1.453 1.00 0.00 N ATOM 882 CA LEU A 60 -3.528 -1.434 1.522 1.00 0.00 C ATOM 883 C LEU A 60 -2.939 -0.551 0.425 1.00 0.00 C ATOM 884 O LEU A 60 -3.223 -0.743 -0.755 1.00 0.00 O ATOM 885 CB LEU A 60 -2.991 -2.866 1.392 1.00 0.00 C ATOM 886 CG LEU A 60 -3.211 -3.766 2.614 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.477 -5.091 2.448 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.754 -3.067 3.885 1.00 0.00 C ATOM 0 H LEU A 60 -5.361 -1.497 0.508 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.228 -1.038 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.461 -3.335 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.922 -2.817 1.186 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.279 -3.970 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.647 -5.714 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.849 -5.605 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.409 -4.904 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.919 -3.723 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.693 -2.830 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.322 -2.147 4.019 1.00 0.00 H new ATOM 900 N ARG A 61 -2.120 0.420 0.820 1.00 0.00 N ATOM 901 CA ARG A 61 -1.499 1.330 -0.138 1.00 0.00 C ATOM 902 C ARG A 61 0.021 1.207 -0.091 1.00 0.00 C ATOM 903 O ARG A 61 0.613 1.107 0.983 1.00 0.00 O ATOM 904 CB ARG A 61 -1.908 2.779 0.147 1.00 0.00 C ATOM 905 CG ARG A 61 -1.122 3.803 -0.663 1.00 0.00 C ATOM 906 CD ARG A 61 -1.964 5.020 -1.011 1.00 0.00 C ATOM 907 NE ARG A 61 -2.266 5.086 -2.439 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.933 6.087 -3.010 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.371 7.104 -2.279 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.163 6.070 -4.316 1.00 0.00 N ATOM 0 H ARG A 61 -1.872 0.597 1.793 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.846 1.054 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.970 2.897 -0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.771 2.985 1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.246 4.118 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.759 3.339 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.895 4.991 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.436 5.925 -0.710 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.947 4.321 -3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.197 7.122 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.881 7.868 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.829 5.290 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.674 6.837 -4.754 1.00 0.00 H new ATOM 924 N LEU A 62 0.644 1.218 -1.262 1.00 0.00 N ATOM 925 CA LEU A 62 2.096 1.111 -1.356 1.00 0.00 C ATOM 926 C LEU A 62 2.652 2.177 -2.294 1.00 0.00 C ATOM 927 O LEU A 62 2.081 2.444 -3.351 1.00 0.00 O ATOM 928 CB LEU A 62 2.503 -0.286 -1.844 1.00 0.00 C ATOM 929 CG LEU A 62 1.345 -1.206 -2.239 1.00 0.00 C ATOM 930 CD1 LEU A 62 1.811 -2.252 -3.239 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.751 -1.870 -1.005 1.00 0.00 C ATOM 0 H LEU A 62 0.168 1.300 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 62 2.514 1.269 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.165 -0.174 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.080 -0.773 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 62 0.570 -0.603 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.974 -2.897 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.190 -1.757 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.604 -2.853 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.071 -2.521 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.518 -2.460 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.380 -1.105 -0.323 1.00 0.00 H new ATOM 943 N ILE A 63 3.768 2.783 -1.904 1.00 0.00 N ATOM 944 CA ILE A 63 4.393 3.818 -2.719 1.00 0.00 C ATOM 945 C ILE A 63 5.697 3.330 -3.327 1.00 0.00 C ATOM 946 O ILE A 63 6.428 2.548 -2.722 1.00 0.00 O ATOM 947 CB ILE A 63 4.670 5.103 -1.920 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.481 5.452 -1.025 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.981 6.255 -2.864 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.134 5.313 -1.703 1.00 0.00 C ATOM 0 H ILE A 63 4.257 2.577 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 63 3.680 4.047 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 63 5.537 4.930 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.501 4.808 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.594 6.477 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.175 7.158 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.860 6.010 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.131 6.424 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.344 5.579 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.091 5.977 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.996 4.283 -2.031 1.00 0.00 H new ATOM 962 N GLY A 64 5.972 3.799 -4.533 1.00 0.00 N ATOM 963 CA GLY A 64 7.185 3.407 -5.228 1.00 0.00 C ATOM 964 C GLY A 64 8.369 4.289 -4.884 1.00 0.00 C ATOM 965 O GLY A 64 9.016 4.845 -5.772 1.00 0.00 O ATOM 0 H GLY A 64 5.376 4.447 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.423 2.373 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.010 3.444 -6.303 1.00 0.00 H new ATOM 1311 N ARG A 86 1.764 6.155 -6.459 1.00 0.00 N ATOM 1312 CA ARG A 86 1.188 5.452 -5.319 1.00 0.00 C ATOM 1313 C ARG A 86 0.040 4.547 -5.754 1.00 0.00 C ATOM 1314 O ARG A 86 -0.731 4.891 -6.650 1.00 0.00 O ATOM 1315 CB ARG A 86 0.690 6.456 -4.278 1.00 0.00 C ATOM 1316 CG ARG A 86 1.718 7.515 -3.913 1.00 0.00 C ATOM 1317 CD ARG A 86 1.146 8.533 -2.939 1.00 0.00 C ATOM 1318 NE ARG A 86 0.539 9.669 -3.629 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.121 10.645 -3.011 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.261 10.629 -1.691 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.643 11.641 -3.714 1.00 0.00 N ATOM 0 HA ARG A 86 1.967 4.830 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.206 6.947 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.400 5.917 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.592 7.038 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.055 8.023 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.399 8.051 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.938 8.890 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 86 0.626 9.717 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.138 9.866 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.768 11.380 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.539 11.659 -4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.149 12.389 -3.240 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.070 3.390 -5.109 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.127 2.435 -5.423 1.00 0.00 C ATOM 1337 C HIS A 87 -1.981 2.154 -4.192 1.00 0.00 C ATOM 1338 O HIS A 87 -1.485 1.645 -3.188 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.536 1.122 -5.948 1.00 0.00 C ATOM 1340 CG HIS A 87 0.706 1.296 -6.768 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.709 1.260 -8.147 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.992 1.500 -6.397 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.942 1.432 -8.587 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.739 1.581 -7.546 1.00 0.00 N ATOM 0 H HIS A 87 0.560 3.091 -4.365 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.754 2.875 -6.198 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.312 0.473 -5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.288 0.612 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.361 1.583 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.246 1.448 -9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.747 1.732 -7.588 1.00 0.00 H new ATOM 1353 N MET A 88 -3.267 2.480 -4.276 1.00 0.00 N ATOM 1354 CA MET A 88 -4.186 2.252 -3.165 1.00 0.00 C ATOM 1355 C MET A 88 -5.032 1.012 -3.423 1.00 0.00 C ATOM 1356 O MET A 88 -5.926 1.022 -4.269 1.00 0.00 O ATOM 1357 CB MET A 88 -5.095 3.466 -2.964 1.00 0.00 C ATOM 1358 CG MET A 88 -5.335 3.823 -1.504 1.00 0.00 C ATOM 1359 SD MET A 88 -6.387 2.631 -0.644 1.00 0.00 S ATOM 1360 CE MET A 88 -6.885 3.569 0.807 1.00 0.00 C ATOM 0 H MET A 88 -3.696 2.902 -5.100 1.00 0.00 H new ATOM 0 HA MET A 88 -3.597 2.099 -2.261 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.654 4.325 -3.470 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.055 3.272 -3.443 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.376 3.889 -0.990 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.794 4.810 -1.449 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.888 3.267 1.109 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.187 3.377 1.622 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.883 4.633 0.571 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.744 -0.053 -2.690 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.477 -1.302 -2.836 1.00 0.00 C ATOM 1372 C PHE A 89 -6.619 -1.363 -1.830 1.00 0.00 C ATOM 1373 O PHE A 89 -6.438 -1.042 -0.657 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.532 -2.489 -2.648 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.426 -3.363 -3.860 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.556 -3.945 -4.410 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.197 -3.599 -4.453 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.462 -4.748 -5.529 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.097 -4.400 -5.572 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.230 -4.975 -6.110 1.00 0.00 C ATOM 0 H PHE A 89 -4.006 -0.077 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.899 -1.349 -3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.541 -2.117 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.877 -3.089 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.521 -3.769 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.307 -3.151 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.350 -5.198 -5.949 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.133 -4.577 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.153 -5.603 -6.986 1.00 0.00 H new ATOM 1390 N SER A 90 -7.801 -1.758 -2.294 1.00 0.00 N ATOM 1391 CA SER A 90 -8.966 -1.832 -1.422 1.00 0.00 C ATOM 1392 C SER A 90 -9.719 -3.145 -1.593 1.00 0.00 C ATOM 1393 O SER A 90 -10.032 -3.554 -2.711 1.00 0.00 O ATOM 1394 CB SER A 90 -9.907 -0.665 -1.711 1.00 0.00 C ATOM 1395 OG SER A 90 -10.628 -0.288 -0.551 1.00 0.00 O ATOM 0 H SER A 90 -7.976 -2.030 -3.262 1.00 0.00 H new ATOM 0 HA SER A 90 -8.610 -1.778 -0.393 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.333 0.186 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.604 -0.944 -2.501 1.00 0.00 H new ATOM 0 HG SER A 90 -11.221 0.462 -0.764 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.023 -3.789 -0.472 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.760 -5.046 -0.487 1.00 0.00 C ATOM 1403 C PHE A 91 -11.860 -5.026 0.566 1.00 0.00 C ATOM 1404 O PHE A 91 -11.918 -4.122 1.398 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.837 -6.254 -0.262 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.438 -5.922 0.178 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.599 -5.164 -0.622 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.958 -6.393 1.387 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.308 -4.883 -0.222 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.671 -6.113 1.790 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.843 -5.359 0.985 1.00 0.00 C ATOM 0 H PHE A 91 -9.770 -3.460 0.460 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.208 -5.151 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.291 -6.903 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.783 -6.826 -1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.959 -4.789 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.599 -6.987 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.663 -4.291 -0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.310 -6.484 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.833 -5.142 1.300 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.730 -6.026 0.526 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.827 -6.120 1.479 1.00 0.00 C ATOM 1423 C ASN A 92 -13.467 -7.054 2.626 1.00 0.00 C ATOM 1424 O ASN A 92 -14.335 -7.707 3.205 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.097 -6.613 0.783 1.00 0.00 C ATOM 1426 CG ASN A 92 -14.923 -7.989 0.170 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.011 -9.004 0.861 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.675 -8.029 -1.133 1.00 0.00 N ATOM 0 H ASN A 92 -12.697 -6.784 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.009 -5.125 1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.915 -6.640 1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.380 -5.904 0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.549 -8.927 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.611 -7.162 -1.667 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.179 -7.117 2.949 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.707 -7.978 4.026 1.00 0.00 C ATOM 1437 C ASN A 93 -10.864 -7.207 5.034 1.00 0.00 C ATOM 1438 O ASN A 93 -9.816 -6.661 4.694 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.902 -9.147 3.458 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.703 -9.979 2.476 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.556 -9.840 1.262 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.558 -10.850 2.999 1.00 0.00 N ATOM 0 H ASN A 93 -11.446 -6.584 2.481 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.584 -8.363 4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.010 -8.763 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.563 -9.782 4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.126 -11.437 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.647 -10.932 4.012 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.330 -7.182 6.280 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.622 -6.493 7.353 1.00 0.00 C ATOM 1451 C ARG A 94 -9.600 -7.423 7.998 1.00 0.00 C ATOM 1452 O ARG A 94 -8.574 -6.976 8.511 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.609 -5.993 8.411 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.831 -5.301 7.830 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.060 -5.520 8.697 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.240 -4.853 8.153 1.00 0.00 N ATOM 1457 CZ ARG A 94 -16.481 -5.073 8.582 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.707 -5.942 9.560 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -17.498 -4.424 8.032 1.00 0.00 N ATOM 0 H ARG A 94 -12.198 -7.633 6.571 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.101 -5.637 6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.935 -6.837 9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.094 -5.301 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.636 -4.233 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.021 -5.679 6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.256 -6.589 8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.865 -5.148 9.703 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.105 -4.179 7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.928 -6.444 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.659 -6.107 9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.330 -3.756 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.449 -4.593 8.361 1.00 0.00 H new ATOM 1473 N THR A 95 -9.889 -8.721 7.965 1.00 0.00 N ATOM 1474 CA THR A 95 -8.997 -9.719 8.540 1.00 0.00 C ATOM 1475 C THR A 95 -7.808 -9.959 7.617 1.00 0.00 C ATOM 1476 O THR A 95 -6.659 -9.988 8.058 1.00 0.00 O ATOM 1477 CB THR A 95 -9.763 -11.025 8.797 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.324 -11.634 9.998 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.634 -12.054 7.690 1.00 0.00 C ATOM 0 H THR A 95 -10.736 -9.105 7.545 1.00 0.00 H new ATOM 0 HA THR A 95 -8.618 -9.350 9.493 1.00 0.00 H new ATOM 0 HB THR A 95 -10.809 -10.723 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.824 -12.464 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.205 -12.944 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.019 -11.637 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.585 -12.321 7.562 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.097 -10.123 6.331 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.056 -10.352 5.337 1.00 0.00 C ATOM 1489 C VAL A 96 -6.056 -9.204 5.334 1.00 0.00 C ATOM 1490 O VAL A 96 -4.865 -9.404 5.573 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.645 -10.506 3.921 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.555 -10.867 2.923 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.751 -11.549 3.911 1.00 0.00 C ATOM 0 H VAL A 96 -9.044 -10.102 5.953 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.553 -11.280 5.610 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.076 -9.550 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.991 -10.971 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.801 -10.080 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.091 -11.809 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.154 -11.643 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.348 -12.510 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.545 -11.243 4.592 1.00 0.00 H new ATOM 1503 N MET A 97 -6.550 -7.998 5.057 1.00 0.00 N ATOM 1504 CA MET A 97 -5.701 -6.806 5.019 1.00 0.00 C ATOM 1505 C MET A 97 -4.686 -6.780 6.164 1.00 0.00 C ATOM 1506 O MET A 97 -3.483 -6.651 5.935 1.00 0.00 O ATOM 1507 CB MET A 97 -6.565 -5.545 5.076 1.00 0.00 C ATOM 1508 CG MET A 97 -7.640 -5.590 6.150 1.00 0.00 C ATOM 1509 SD MET A 97 -7.250 -4.544 7.563 1.00 0.00 S ATOM 1510 CE MET A 97 -7.095 -2.958 6.750 1.00 0.00 C ATOM 0 H MET A 97 -7.534 -7.820 4.855 1.00 0.00 H new ATOM 0 HA MET A 97 -5.145 -6.837 4.082 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.922 -4.683 5.253 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.039 -5.396 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.591 -5.275 5.721 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.768 -6.618 6.488 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.562 -2.188 7.363 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.040 -2.722 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.588 -2.997 5.779 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.179 -6.885 7.391 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.320 -6.856 8.571 1.00 0.00 C ATOM 1522 C ASP A 98 -3.309 -8.002 8.570 1.00 0.00 C ATOM 1523 O ASP A 98 -2.284 -7.930 9.248 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.169 -6.918 9.841 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.623 -5.546 10.301 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.756 -4.667 10.491 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.844 -5.351 10.472 1.00 0.00 O ATOM 0 H ASP A 98 -6.172 -6.991 7.597 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.763 -5.920 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.042 -7.545 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.594 -7.393 10.636 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.604 -9.062 7.826 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.716 -10.220 7.769 1.00 0.00 C ATOM 1534 C ASN A 99 -1.618 -10.049 6.724 1.00 0.00 C ATOM 1535 O ASN A 99 -0.432 -10.103 7.050 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.519 -11.488 7.475 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.043 -12.146 8.736 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.284 -12.748 9.497 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.346 -12.035 8.965 1.00 0.00 N ATOM 0 H ASN A 99 -4.446 -9.145 7.256 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.236 -10.308 8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.356 -11.241 6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.891 -12.195 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.755 -12.458 9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.938 -11.527 8.308 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.009 -9.861 5.469 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.035 -9.706 4.395 1.00 0.00 C ATOM 1548 C ILE A 100 -0.096 -8.529 4.650 1.00 0.00 C ATOM 1549 O ILE A 100 1.122 -8.674 4.552 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.711 -9.535 3.021 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.661 -9.594 1.911 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.480 -8.227 2.957 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.212 -9.286 0.537 1.00 0.00 C ATOM 0 H ILE A 100 -2.984 -9.812 5.172 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.451 -10.626 4.381 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.420 -10.350 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.137 -8.887 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.213 -10.588 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.949 -8.128 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.249 -8.219 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.795 -7.394 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.410 -9.347 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.990 -10.008 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.634 -8.281 0.531 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.657 -7.367 4.984 1.00 0.00 N ATOM 1566 CA LYS A 101 0.157 -6.188 5.252 1.00 0.00 C ATOM 1567 C LYS A 101 1.143 -6.471 6.372 1.00 0.00 C ATOM 1568 O LYS A 101 2.297 -6.045 6.324 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.718 -4.997 5.627 1.00 0.00 C ATOM 1570 CG LYS A 101 0.070 -3.713 5.818 1.00 0.00 C ATOM 1571 CD LYS A 101 0.349 -3.442 7.288 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.900 -2.973 8.015 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.868 -3.328 9.460 1.00 0.00 N ATOM 0 H LYS A 101 -1.662 -7.220 5.074 1.00 0.00 H new ATOM 0 HA LYS A 101 0.706 -5.945 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.466 -4.844 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.257 -5.225 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.012 -3.779 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.486 -2.877 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.728 -4.348 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.129 -2.686 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.998 -1.893 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.779 -3.420 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.738 -2.991 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.801 -4.361 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.043 -2.881 9.909 1.00 0.00 H new ATOM 1587 N MET A 102 0.676 -7.206 7.374 1.00 0.00 N ATOM 1588 CA MET A 102 1.515 -7.568 8.513 1.00 0.00 C ATOM 1589 C MET A 102 2.867 -8.076 8.027 1.00 0.00 C ATOM 1590 O MET A 102 3.897 -7.855 8.664 1.00 0.00 O ATOM 1591 CB MET A 102 0.825 -8.637 9.366 1.00 0.00 C ATOM 1592 CG MET A 102 0.840 -8.331 10.854 1.00 0.00 C ATOM 1593 SD MET A 102 2.162 -9.193 11.727 1.00 0.00 S ATOM 1594 CE MET A 102 1.447 -9.341 13.362 1.00 0.00 C ATOM 0 H MET A 102 -0.278 -7.563 7.422 1.00 0.00 H new ATOM 0 HA MET A 102 1.671 -6.681 9.127 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.208 -8.742 9.036 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.313 -9.597 9.196 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.954 -7.257 10.999 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.120 -8.611 11.288 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.148 -9.855 14.020 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.238 -8.348 13.759 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.520 -9.911 13.303 1.00 0.00 H new ATOM 1604 N THR A 103 2.849 -8.747 6.879 1.00 0.00 N ATOM 1605 CA THR A 103 4.066 -9.278 6.279 1.00 0.00 C ATOM 1606 C THR A 103 4.879 -8.157 5.636 1.00 0.00 C ATOM 1607 O THR A 103 6.096 -8.082 5.804 1.00 0.00 O ATOM 1608 CB THR A 103 3.719 -10.340 5.233 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.994 -11.405 5.822 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.935 -10.933 4.554 1.00 0.00 C ATOM 0 H THR A 103 2.001 -8.936 6.345 1.00 0.00 H new ATOM 0 HA THR A 103 4.666 -9.737 7.065 1.00 0.00 H new ATOM 0 HB THR A 103 3.122 -9.822 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.780 -12.073 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.617 -11.678 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.490 -10.143 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.574 -11.405 5.300 1.00 0.00 H new ATOM 1618 N LEU A 104 4.194 -7.286 4.901 1.00 0.00 N ATOM 1619 CA LEU A 104 4.844 -6.164 4.233 1.00 0.00 C ATOM 1620 C LEU A 104 5.423 -5.184 5.248 1.00 0.00 C ATOM 1621 O LEU A 104 6.607 -4.854 5.202 1.00 0.00 O ATOM 1622 CB LEU A 104 3.846 -5.437 3.330 1.00 0.00 C ATOM 1623 CG LEU A 104 3.420 -6.205 2.080 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.456 -7.323 2.442 1.00 0.00 C ATOM 1625 CD2 LEU A 104 2.787 -5.261 1.069 1.00 0.00 C ATOM 0 H LEU A 104 3.186 -7.336 4.753 1.00 0.00 H new ATOM 0 HA LEU A 104 5.660 -6.560 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.956 -5.203 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.284 -4.488 3.022 1.00 0.00 H new ATOM 0 HG LEU A 104 4.307 -6.651 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.164 -7.858 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.942 -8.013 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.570 -6.900 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.489 -5.823 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.910 -4.789 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.508 -4.494 0.786 1.00 0.00 H new ATOM 1637 N GLN A 105 4.572 -4.716 6.159 1.00 0.00 N ATOM 1638 CA GLN A 105 4.985 -3.764 7.188 1.00 0.00 C ATOM 1639 C GLN A 105 6.318 -4.160 7.818 1.00 0.00 C ATOM 1640 O GLN A 105 7.233 -3.343 7.918 1.00 0.00 O ATOM 1641 CB GLN A 105 3.910 -3.659 8.272 1.00 0.00 C ATOM 1642 CG GLN A 105 4.140 -2.517 9.249 1.00 0.00 C ATOM 1643 CD GLN A 105 2.867 -2.086 9.950 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.680 -2.349 11.138 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.983 -1.421 9.217 1.00 0.00 N ATOM 0 H GLN A 105 3.588 -4.982 6.205 1.00 0.00 H new ATOM 0 HA GLN A 105 5.114 -2.794 6.708 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.938 -3.529 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.871 -4.597 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.875 -2.823 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.563 -1.666 8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.179 -1.225 8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.108 -1.106 9.635 1.00 0.00 H new ATOM 1654 N GLN A 106 6.421 -5.415 8.241 1.00 0.00 N ATOM 1655 CA GLN A 106 7.645 -5.908 8.860 1.00 0.00 C ATOM 1656 C GLN A 106 8.799 -5.907 7.863 1.00 0.00 C ATOM 1657 O GLN A 106 9.930 -5.570 8.211 1.00 0.00 O ATOM 1658 CB GLN A 106 7.433 -7.318 9.417 1.00 0.00 C ATOM 1659 CG GLN A 106 7.016 -8.335 8.367 1.00 0.00 C ATOM 1660 CD GLN A 106 7.013 -9.754 8.900 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.956 -10.361 9.074 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.199 -10.291 9.161 1.00 0.00 N ATOM 0 H GLN A 106 5.675 -6.107 8.167 1.00 0.00 H new ATOM 0 HA GLN A 106 7.900 -5.239 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.356 -7.655 9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.671 -7.280 10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.020 -8.086 8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.694 -8.272 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.050 -9.751 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.260 -11.244 9.521 1.00 0.00 H new ATOM 1671 N ILE A 107 8.509 -6.291 6.622 1.00 0.00 N ATOM 1672 CA ILE A 107 9.523 -6.337 5.584 1.00 0.00 C ATOM 1673 C ILE A 107 10.171 -4.973 5.377 1.00 0.00 C ATOM 1674 O ILE A 107 11.382 -4.833 5.515 1.00 0.00 O ATOM 1675 CB ILE A 107 8.926 -6.868 4.258 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.402 -8.295 4.031 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.290 -5.987 3.068 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.778 -8.961 2.823 1.00 0.00 C ATOM 0 H ILE A 107 7.578 -6.574 6.316 1.00 0.00 H new ATOM 0 HA ILE A 107 10.301 -7.026 5.912 1.00 0.00 H new ATOM 0 HB ILE A 107 7.839 -6.848 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.486 -8.293 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.178 -8.888 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.849 -6.400 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.908 -4.979 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.374 -5.951 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.166 -9.975 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.696 -8.996 2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.023 -8.392 1.926 1.00 0.00 H new ATOM 1690 N ILE A 108 9.371 -3.969 5.046 1.00 0.00 N ATOM 1691 CA ILE A 108 9.908 -2.633 4.830 1.00 0.00 C ATOM 1692 C ILE A 108 10.637 -2.143 6.069 1.00 0.00 C ATOM 1693 O ILE A 108 11.563 -1.339 5.984 1.00 0.00 O ATOM 1694 CB ILE A 108 8.816 -1.617 4.460 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.780 -2.258 3.539 1.00 0.00 C ATOM 1696 CG2 ILE A 108 9.446 -0.399 3.802 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.641 -1.338 3.181 1.00 0.00 C ATOM 0 H ILE A 108 8.362 -4.051 4.923 1.00 0.00 H new ATOM 0 HA ILE A 108 10.602 -2.710 3.993 1.00 0.00 H new ATOM 0 HB ILE A 108 8.306 -1.297 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.273 -2.586 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.379 -3.149 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.667 0.318 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.150 0.065 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.973 -0.705 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.944 -1.860 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.123 -1.030 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.031 -0.458 2.670 1.00 0.00 H new ATOM 1709 N SER A 109 10.216 -2.648 7.217 1.00 0.00 N ATOM 1710 CA SER A 109 10.828 -2.282 8.482 1.00 0.00 C ATOM 1711 C SER A 109 12.180 -2.969 8.635 1.00 0.00 C ATOM 1712 O SER A 109 13.065 -2.474 9.332 1.00 0.00 O ATOM 1713 CB SER A 109 9.903 -2.662 9.637 1.00 0.00 C ATOM 1714 OG SER A 109 10.000 -1.728 10.699 1.00 0.00 O ATOM 0 H SER A 109 9.449 -3.316 7.298 1.00 0.00 H new ATOM 0 HA SER A 109 10.987 -1.204 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.873 -2.708 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.160 -3.657 10.000 1.00 0.00 H new ATOM 0 HG SER A 109 9.397 -1.994 11.424 1.00 0.00 H new ATOM 1720 N ARG A 110 12.339 -4.108 7.965 1.00 0.00 N ATOM 1721 CA ARG A 110 13.589 -4.852 8.015 1.00 0.00 C ATOM 1722 C ARG A 110 14.467 -4.483 6.822 1.00 0.00 C ATOM 1723 O ARG A 110 15.671 -4.274 6.967 1.00 0.00 O ATOM 1724 CB ARG A 110 13.315 -6.364 8.056 1.00 0.00 C ATOM 1725 CG ARG A 110 13.134 -7.014 6.690 1.00 0.00 C ATOM 1726 CD ARG A 110 13.096 -8.530 6.798 1.00 0.00 C ATOM 1727 NE ARG A 110 11.730 -9.037 6.904 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.386 -10.299 6.655 1.00 0.00 C ATOM 1729 NH1 ARG A 110 12.304 -11.184 6.288 1.00 0.00 N ATOM 1730 NH2 ARG A 110 10.121 -10.676 6.775 1.00 0.00 N ATOM 0 H ARG A 110 11.617 -4.533 7.383 1.00 0.00 H new ATOM 0 HA ARG A 110 14.123 -4.585 8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.140 -6.856 8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.418 -6.541 8.650 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.210 -6.657 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.950 -6.715 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.578 -8.968 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 110 13.669 -8.846 7.670 1.00 0.00 H new ATOM 0 HE ARG A 110 10.997 -8.386 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.279 -10.899 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.035 -12.149 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.412 -10.000 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.857 -11.643 6.584 1.00 0.00 H new ATOM 1744 N TYR A 111 13.852 -4.391 5.644 1.00 0.00 N ATOM 1745 CA TYR A 111 14.578 -4.032 4.433 1.00 0.00 C ATOM 1746 C TYR A 111 15.069 -2.587 4.501 1.00 0.00 C ATOM 1747 O TYR A 111 15.984 -2.199 3.777 1.00 0.00 O ATOM 1748 CB TYR A 111 13.688 -4.220 3.200 1.00 0.00 C ATOM 1749 CG TYR A 111 13.679 -5.629 2.638 1.00 0.00 C ATOM 1750 CD1 TYR A 111 14.273 -6.687 3.320 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.071 -5.898 1.418 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.259 -7.968 2.802 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.053 -7.177 0.894 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.648 -8.208 1.589 1.00 0.00 C ATOM 1755 OH TYR A 111 13.633 -9.482 1.070 1.00 0.00 O ATOM 0 H TYR A 111 12.856 -4.560 5.505 1.00 0.00 H new ATOM 0 HA TYR A 111 15.443 -4.690 4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.667 -3.939 3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.019 -3.534 2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.753 -6.504 4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.604 -5.093 0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.724 -8.778 3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.575 -7.368 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 111 13.635 -10.134 1.802 1.00 0.00 H new ATOM 1765 N LYS A 112 14.455 -1.796 5.375 1.00 0.00 N ATOM 1766 CA LYS A 112 14.830 -0.397 5.539 1.00 0.00 C ATOM 1767 C LYS A 112 16.194 -0.276 6.211 1.00 0.00 C ATOM 1768 O LYS A 112 17.029 0.536 5.812 1.00 0.00 O ATOM 1769 CB LYS A 112 13.777 0.332 6.374 1.00 0.00 C ATOM 1770 CG LYS A 112 12.742 1.073 5.546 1.00 0.00 C ATOM 1771 CD LYS A 112 13.353 2.262 4.820 1.00 0.00 C ATOM 1772 CE LYS A 112 14.063 3.201 5.782 1.00 0.00 C ATOM 1773 NZ LYS A 112 14.475 4.470 5.119 1.00 0.00 N ATOM 0 H LYS A 112 13.694 -2.101 5.982 1.00 0.00 H new ATOM 0 HA LYS A 112 14.889 0.059 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.268 -0.391 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.277 1.042 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.300 0.391 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.935 1.417 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.059 1.907 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.571 2.806 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.405 3.427 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.942 2.704 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.955 5.082 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.124 4.257 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.634 4.958 4.750 1.00 0.00 H new ATOM 1969 N ASP B 70 -9.662 6.805 2.863 1.00 0.00 N ATOM 1970 CA ASP B 70 -9.315 8.016 3.598 1.00 0.00 C ATOM 1971 C ASP B 70 -9.140 7.749 5.096 1.00 0.00 C ATOM 1972 O ASP B 70 -9.843 8.321 5.929 1.00 0.00 O ATOM 1973 CB ASP B 70 -10.388 9.077 3.375 1.00 0.00 C ATOM 1974 CG ASP B 70 -9.980 10.438 3.905 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -8.833 10.858 3.642 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -10.806 11.083 4.584 1.00 0.00 O ATOM 0 HA ASP B 70 -8.358 8.374 3.219 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -10.601 9.155 2.309 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -11.311 8.763 3.862 1.00 0.00 H new ATOM 1981 N ALA B 71 -8.186 6.886 5.424 1.00 0.00 N ATOM 1982 CA ALA B 71 -7.886 6.540 6.814 1.00 0.00 C ATOM 1983 C ALA B 71 -6.725 5.568 6.875 1.00 0.00 C ATOM 1984 O ALA B 71 -6.711 4.651 7.694 1.00 0.00 O ATOM 1985 CB ALA B 71 -9.100 5.941 7.505 1.00 0.00 C ATOM 0 H ALA B 71 -7.600 6.407 4.741 1.00 0.00 H new ATOM 0 HA ALA B 71 -7.613 7.457 7.336 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -8.847 5.694 8.536 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -9.917 6.662 7.495 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -9.408 5.037 6.980 1.00 0.00 H new ATOM 1991 N THR B 72 -5.759 5.759 5.988 1.00 0.00 N ATOM 1992 CA THR B 72 -4.607 4.878 5.937 1.00 0.00 C ATOM 1993 C THR B 72 -3.294 5.647 5.800 1.00 0.00 C ATOM 1994 O THR B 72 -2.218 5.059 5.885 1.00 0.00 O ATOM 1995 CB THR B 72 -4.763 3.893 4.786 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.006 3.236 4.863 1.00 0.00 O ATOM 1997 CG2 THR B 72 -3.697 2.830 4.760 1.00 0.00 C ATOM 0 H THR B 72 -5.752 6.511 5.299 1.00 0.00 H new ATOM 0 HA THR B 72 -4.564 4.337 6.882 1.00 0.00 H new ATOM 0 HB THR B 72 -4.680 4.494 3.880 1.00 0.00 H new ATOM 0 HG1 THR B 72 -5.876 2.273 4.735 1.00 0.00 H new ATOM 0 HG21 THR B 72 -3.869 2.163 3.915 1.00 0.00 H new ATOM 0 HG22 THR B 72 -2.718 3.299 4.659 1.00 0.00 H new ATOM 0 HG23 THR B 72 -3.731 2.258 5.687 1.00 0.00 H new ATOM 2005 N TRP B 73 -3.374 6.960 5.587 1.00 0.00 N ATOM 2006 CA TRP B 73 -2.171 7.778 5.446 1.00 0.00 C ATOM 2007 C TRP B 73 -1.786 8.370 6.795 1.00 0.00 C ATOM 2008 O TRP B 73 -1.453 9.551 6.901 1.00 0.00 O ATOM 2009 CB TRP B 73 -2.384 8.899 4.419 1.00 0.00 C ATOM 2010 CG TRP B 73 -3.380 8.555 3.353 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -4.257 9.402 2.747 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -3.604 7.269 2.777 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -5.018 8.718 1.829 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -4.633 7.403 1.832 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -3.031 6.016 2.972 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -5.099 6.324 1.088 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -3.494 4.948 2.238 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -4.515 5.108 1.311 1.00 0.00 C ATOM 0 H TRP B 73 -4.251 7.476 5.509 1.00 0.00 H new ATOM 0 HA TRP B 73 -1.363 7.140 5.089 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -2.716 9.798 4.938 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -1.429 9.136 3.950 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -4.342 10.458 2.957 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -5.748 9.122 1.243 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -2.234 5.884 3.689 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -5.891 6.442 0.363 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -3.057 3.971 2.385 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -4.857 4.250 0.752 1.00 0.00 H new ATOM 2029 N ASP B 74 -1.851 7.536 7.826 1.00 0.00 N ATOM 2030 CA ASP B 74 -1.530 7.960 9.179 1.00 0.00 C ATOM 2031 C ASP B 74 -1.114 6.772 10.051 1.00 0.00 C ATOM 2032 O ASP B 74 -1.222 6.828 11.276 1.00 0.00 O ATOM 2033 CB ASP B 74 -2.745 8.660 9.795 1.00 0.00 C ATOM 2034 CG ASP B 74 -2.371 9.553 10.962 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -1.368 10.289 10.848 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -3.080 9.517 11.989 1.00 0.00 O ATOM 0 H ASP B 74 -2.125 6.557 7.747 1.00 0.00 H new ATOM 0 HA ASP B 74 -0.689 8.652 9.133 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -3.243 9.256 9.030 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -3.461 7.910 10.131 1.00 0.00 H new ATOM 2041 N LEU B 75 -0.639 5.698 9.418 1.00 0.00 N ATOM 2042 CA LEU B 75 -0.215 4.507 10.155 1.00 0.00 C ATOM 2043 C LEU B 75 0.929 3.779 9.455 1.00 0.00 C ATOM 2044 O LEU B 75 1.257 2.647 9.810 1.00 0.00 O ATOM 2045 CB LEU B 75 -1.391 3.542 10.350 1.00 0.00 C ATOM 2046 CG LEU B 75 -2.235 3.254 9.101 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -2.991 4.493 8.674 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -1.373 2.755 7.952 1.00 0.00 C ATOM 0 H LEU B 75 -0.539 5.628 8.405 1.00 0.00 H new ATOM 0 HA LEU B 75 0.142 4.847 11.127 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -1.001 2.597 10.728 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -2.045 3.948 11.121 1.00 0.00 H new ATOM 0 HG LEU B 75 -2.948 2.471 9.360 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -3.584 4.270 7.787 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -3.651 4.813 9.481 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -2.284 5.290 8.446 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.002 2.561 7.083 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -0.629 3.511 7.700 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -0.869 1.835 8.248 1.00 0.00 H new