USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 800 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 11 ASN : amide:sc= 0 X(o=0.42,f=0.34) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -151:sc= 0.418 (180deg=0.156) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.98 K(o=-9.7,f=-22!) USER MOD Set 2.2: B 26 GLN : amide:sc= -5.27! C(o=-9.7!,f=-10!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.4 K(o=-9.7,f=-13!) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.19 K(o=-2.2,f=-10!) USER MOD Set 3.2: A 55 GLN : amide:sc= -0.964 K(o=-2.2,f=-5.8!) USER MOD Set 4.1: A 14 TYR OH : rot 148:sc= -0.831! USER MOD Set 4.2: A 18 HIS : no HD1:sc= -21! C(o=-22!,f=-26!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.148) USER MOD Single : A 9 GLN : amide:sc= -2.04! C(o=-2!,f=-2.5!) USER MOD Single : A 10 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.1!) USER MOD Single : A 21 ASN : amide:sc= -0.683 K(o=-0.68,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= -0.684 K(o=-0.68,f=-4.2!) USER MOD Single : A 28 ASN : amide:sc= -2.17! C(o=-2.2!,f=-6.2!) USER MOD Single : A 32 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.2!) USER MOD Single : A 33 SER OG : rot 24:sc= -0.0123 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0.353 (180deg=0.276) USER MOD Single : A 39 SER OG : rot -35:sc= 0.532 USER MOD Single : A 40 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.1) USER MOD Single : A 41 SER OG : rot -95:sc= 0.668 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.477 K(o=-0.48,f=-9.7!) USER MOD Single : B 6 ASN : amide:sc= -2.87! K(o=-2.9!,f=-1.8) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot -120:sc= -1.38 USER MOD Single : B 18 THR OG1 : rot -46:sc= 1.04 USER MOD Single : B 21 ASN : amide:sc= -3.57! C(o=-3.6!,f=-4.4!) USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 0.248 (180deg=0.0899) USER MOD Single : B 33 SER OG : rot -12:sc= -0.0126 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.5) USER MOD Single : B 41 SER OG : rot -91:sc= 0.503 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 49 LYS NZ :NH3+ -175:sc= 0.451 (180deg=0.429) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -4.2! C(o=-4.2!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.015 -14.277 7.023 1.00 0.00 N ATOM 68 CA PHE A 5 4.333 -13.641 5.694 1.00 0.00 C ATOM 69 C PHE A 5 3.082 -13.093 4.990 1.00 0.00 C ATOM 70 O PHE A 5 3.165 -12.083 4.317 1.00 0.00 O ATOM 71 CB PHE A 5 4.997 -14.737 4.837 1.00 0.00 C ATOM 72 CG PHE A 5 6.380 -15.114 5.370 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.031 -14.334 6.348 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.013 -16.259 4.870 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.296 -14.704 6.814 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.278 -16.625 5.340 1.00 0.00 C ATOM 77 CZ PHE A 5 8.919 -15.848 6.311 1.00 0.00 C ATOM 0 HA PHE A 5 4.990 -12.783 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.360 -15.621 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.086 -14.389 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.551 -13.449 6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.523 -16.861 4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.792 -14.105 7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.761 -17.510 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.896 -16.133 6.672 1.00 0.00 H new ATOM 87 N ASN A 6 1.930 -13.735 5.140 1.00 0.00 N ATOM 88 CA ASN A 6 0.680 -13.222 4.470 1.00 0.00 C ATOM 89 C ASN A 6 0.406 -11.767 4.893 1.00 0.00 C ATOM 90 O ASN A 6 0.289 -10.897 4.047 1.00 0.00 O ATOM 91 CB ASN A 6 -0.459 -14.145 4.929 1.00 0.00 C ATOM 92 CG ASN A 6 -0.393 -15.468 4.155 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.016 -16.475 4.693 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.782 -15.512 2.908 1.00 0.00 N ATOM 0 H ASN A 6 1.807 -14.583 5.693 1.00 0.00 H new ATOM 0 HA ASN A 6 0.777 -13.226 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.379 -14.334 5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.422 -13.662 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.741 -16.391 2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.127 -14.668 2.451 1.00 0.00 H new ATOM 101 N LYS A 7 0.350 -11.485 6.189 1.00 0.00 N ATOM 102 CA LYS A 7 0.129 -10.067 6.634 1.00 0.00 C ATOM 103 C LYS A 7 1.429 -9.253 6.567 1.00 0.00 C ATOM 104 O LYS A 7 1.365 -8.063 6.399 1.00 0.00 O ATOM 105 CB LYS A 7 -0.426 -10.097 8.053 1.00 0.00 C ATOM 106 CG LYS A 7 -0.419 -8.681 8.631 1.00 0.00 C ATOM 107 CD LYS A 7 -0.875 -8.735 10.072 1.00 0.00 C ATOM 108 CE LYS A 7 -0.640 -7.377 10.751 1.00 0.00 C ATOM 109 NZ LYS A 7 0.815 -7.339 11.104 1.00 0.00 N ATOM 0 H LYS A 7 0.447 -12.168 6.940 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.581 -9.578 5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.441 -10.496 8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.175 -10.759 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.582 -8.254 8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.078 -8.035 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.933 -8.995 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.332 -9.516 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.901 -6.556 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.260 -7.273 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.920 -7.180 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.258 -8.244 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.278 -6.567 10.584 1.00 0.00 H new ATOM 123 N GLU A 8 2.602 -9.861 6.673 1.00 0.00 N ATOM 124 CA GLU A 8 3.867 -9.049 6.559 1.00 0.00 C ATOM 125 C GLU A 8 3.857 -8.363 5.198 1.00 0.00 C ATOM 126 O GLU A 8 4.203 -7.213 5.093 1.00 0.00 O ATOM 127 CB GLU A 8 5.060 -10.001 6.656 1.00 0.00 C ATOM 128 CG GLU A 8 5.289 -10.431 8.109 1.00 0.00 C ATOM 129 CD GLU A 8 5.524 -9.204 9.007 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.484 -8.484 8.767 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.743 -9.012 9.924 1.00 0.00 O ATOM 0 H GLU A 8 2.734 -10.860 6.830 1.00 0.00 H new ATOM 0 HA GLU A 8 3.936 -8.303 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.883 -10.879 6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.955 -9.512 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.426 -10.991 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.148 -11.099 8.165 1.00 0.00 H new ATOM 138 N GLN A 9 3.378 -9.054 4.175 1.00 0.00 N ATOM 139 CA GLN A 9 3.239 -8.423 2.834 1.00 0.00 C ATOM 140 C GLN A 9 2.172 -7.316 2.944 1.00 0.00 C ATOM 141 O GLN A 9 2.330 -6.247 2.417 1.00 0.00 O ATOM 142 CB GLN A 9 2.746 -9.513 1.880 1.00 0.00 C ATOM 143 CG GLN A 9 3.807 -10.585 1.646 1.00 0.00 C ATOM 144 CD GLN A 9 3.174 -11.719 0.837 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.638 -12.654 1.400 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.200 -11.674 -0.470 1.00 0.00 N ATOM 0 H GLN A 9 3.081 -10.028 4.224 1.00 0.00 H new ATOM 0 HA GLN A 9 4.177 -7.997 2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.847 -9.975 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.468 -9.063 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.659 -10.166 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.183 -10.961 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.649 -10.891 -0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.771 -12.422 -1.015 1.00 0.00 H new ATOM 155 N GLN A 10 1.103 -7.590 3.675 1.00 0.00 N ATOM 156 CA GLN A 10 0.000 -6.589 3.913 1.00 0.00 C ATOM 157 C GLN A 10 0.549 -5.364 4.660 1.00 0.00 C ATOM 158 O GLN A 10 0.287 -4.240 4.282 1.00 0.00 O ATOM 159 CB GLN A 10 -1.006 -7.348 4.794 1.00 0.00 C ATOM 160 CG GLN A 10 -2.410 -7.294 4.188 1.00 0.00 C ATOM 161 CD GLN A 10 -2.743 -8.616 3.467 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.193 -9.655 3.775 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.643 -8.628 2.528 1.00 0.00 N ATOM 0 H GLN A 10 0.948 -8.491 4.127 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.445 -6.220 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.691 -8.386 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.020 -6.914 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.143 -7.107 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.477 -6.464 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.112 -7.763 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.880 -9.503 2.060 1.00 0.00 H new ATOM 172 N ASN A 11 1.321 -5.590 5.707 1.00 0.00 N ATOM 173 CA ASN A 11 1.920 -4.469 6.498 1.00 0.00 C ATOM 174 C ASN A 11 3.038 -3.801 5.696 1.00 0.00 C ATOM 175 O ASN A 11 3.112 -2.597 5.640 1.00 0.00 O ATOM 176 CB ASN A 11 2.499 -5.114 7.765 1.00 0.00 C ATOM 177 CG ASN A 11 2.692 -4.043 8.842 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.741 -3.616 9.468 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.890 -3.578 9.082 1.00 0.00 N ATOM 0 H ASN A 11 1.561 -6.521 6.047 1.00 0.00 H new ATOM 0 HA ASN A 11 1.181 -3.704 6.735 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.829 -5.893 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.452 -5.593 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.025 -2.859 9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.690 -3.934 8.559 1.00 0.00 H new ATOM 186 N ALA A 12 3.896 -4.584 5.064 1.00 0.00 N ATOM 187 CA ALA A 12 5.002 -3.996 4.237 1.00 0.00 C ATOM 188 C ALA A 12 4.388 -3.215 3.079 1.00 0.00 C ATOM 189 O ALA A 12 4.790 -2.110 2.807 1.00 0.00 O ATOM 190 CB ALA A 12 5.822 -5.171 3.710 1.00 0.00 C ATOM 0 H ALA A 12 3.874 -5.603 5.089 1.00 0.00 H new ATOM 0 HA ALA A 12 5.631 -3.318 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.643 -4.797 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.224 -5.740 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.185 -5.817 3.105 1.00 0.00 H new ATOM 196 N PHE A 13 3.374 -3.777 2.437 1.00 0.00 N ATOM 197 CA PHE A 13 2.662 -3.062 1.328 1.00 0.00 C ATOM 198 C PHE A 13 2.114 -1.758 1.891 1.00 0.00 C ATOM 199 O PHE A 13 2.412 -0.685 1.406 1.00 0.00 O ATOM 200 CB PHE A 13 1.494 -3.991 0.921 1.00 0.00 C ATOM 201 CG PHE A 13 0.532 -3.260 0.028 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.994 -2.663 -1.135 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.829 -3.219 0.348 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.104 -2.027 -1.987 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.720 -2.574 -0.497 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.256 -1.982 -1.665 1.00 0.00 C ATOM 0 H PHE A 13 3.013 -4.709 2.642 1.00 0.00 H new ATOM 0 HA PHE A 13 3.306 -2.840 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.882 -4.870 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.976 -4.346 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.046 -2.693 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.186 -3.689 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.460 -1.567 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.770 -2.532 -0.248 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.949 -1.485 -2.327 1.00 0.00 H new ATOM 216 N TYR A 14 1.337 -1.886 2.942 1.00 0.00 N ATOM 217 CA TYR A 14 0.736 -0.716 3.634 1.00 0.00 C ATOM 218 C TYR A 14 1.817 0.326 3.963 1.00 0.00 C ATOM 219 O TYR A 14 1.723 1.462 3.551 1.00 0.00 O ATOM 220 CB TYR A 14 0.163 -1.338 4.904 1.00 0.00 C ATOM 221 CG TYR A 14 -0.505 -0.299 5.745 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.760 0.175 5.384 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.134 0.183 6.887 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.381 1.121 6.155 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.487 1.149 7.672 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.749 1.622 7.310 1.00 0.00 C ATOM 227 OH TYR A 14 -2.368 2.602 8.072 1.00 0.00 O ATOM 0 H TYR A 14 1.092 -2.785 3.356 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.011 -0.188 3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.553 -2.117 4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.961 -1.816 5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.245 -0.202 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.109 -0.193 7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.359 1.484 5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.004 1.530 8.555 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.120 2.490 9.013 1.00 0.00 H new ATOM 237 N GLU A 15 2.848 -0.075 4.676 1.00 0.00 N ATOM 238 CA GLU A 15 3.953 0.870 5.037 1.00 0.00 C ATOM 239 C GLU A 15 4.629 1.421 3.770 1.00 0.00 C ATOM 240 O GLU A 15 4.862 2.607 3.697 1.00 0.00 O ATOM 241 CB GLU A 15 4.930 0.057 5.895 1.00 0.00 C ATOM 242 CG GLU A 15 4.293 -0.298 7.256 1.00 0.00 C ATOM 243 CD GLU A 15 3.966 0.979 8.046 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.882 1.737 8.330 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.805 1.171 8.365 1.00 0.00 O ATOM 0 H GLU A 15 2.970 -1.026 5.025 1.00 0.00 H new ATOM 0 HA GLU A 15 3.586 1.739 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.211 -0.856 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.845 0.628 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.384 -0.878 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.975 -0.924 7.831 1.00 0.00 H new ATOM 252 N ILE A 16 4.893 0.596 2.754 1.00 0.00 N ATOM 253 CA ILE A 16 5.502 1.132 1.468 1.00 0.00 C ATOM 254 C ILE A 16 4.631 2.299 0.961 1.00 0.00 C ATOM 255 O ILE A 16 5.133 3.353 0.610 1.00 0.00 O ATOM 256 CB ILE A 16 5.524 -0.071 0.474 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.895 -0.747 0.573 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.279 0.370 -0.983 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.727 -2.258 0.613 1.00 0.00 C ATOM 0 H ILE A 16 4.715 -0.408 2.762 1.00 0.00 H new ATOM 0 HA ILE A 16 6.512 1.521 1.595 1.00 0.00 H new ATOM 0 HB ILE A 16 4.721 -0.756 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.512 -0.464 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.414 -0.406 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.304 -0.502 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.304 0.852 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.056 1.072 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.706 -2.731 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.127 -2.535 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.227 -2.593 -0.296 1.00 0.00 H new ATOM 271 N LEU A 17 3.330 2.104 0.962 1.00 0.00 N ATOM 272 CA LEU A 17 2.375 3.188 0.526 1.00 0.00 C ATOM 273 C LEU A 17 2.366 4.359 1.535 1.00 0.00 C ATOM 274 O LEU A 17 2.296 5.509 1.144 1.00 0.00 O ATOM 275 CB LEU A 17 0.986 2.537 0.509 1.00 0.00 C ATOM 276 CG LEU A 17 0.941 1.399 -0.504 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.160 0.243 0.053 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.191 1.809 -1.733 1.00 0.00 C ATOM 0 H LEU A 17 2.882 1.234 1.248 1.00 0.00 H new ATOM 0 HA LEU A 17 2.665 3.590 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.744 2.158 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.231 3.283 0.260 1.00 0.00 H new ATOM 0 HG LEU A 17 1.975 1.137 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.134 -0.565 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.636 -0.111 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.858 0.565 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.172 0.981 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.830 2.079 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.684 2.667 -2.191 1.00 0.00 H new ATOM 290 N HIS A 18 2.408 4.069 2.829 1.00 0.00 N ATOM 291 CA HIS A 18 2.373 5.161 3.871 1.00 0.00 C ATOM 292 C HIS A 18 3.708 5.935 3.970 1.00 0.00 C ATOM 293 O HIS A 18 3.716 7.052 4.459 1.00 0.00 O ATOM 294 CB HIS A 18 2.074 4.474 5.218 1.00 0.00 C ATOM 295 CG HIS A 18 0.604 4.173 5.331 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.350 5.142 5.647 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.112 3.032 5.111 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.553 4.532 5.587 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.441 3.296 5.260 1.00 0.00 N ATOM 0 H HIS A 18 2.465 3.122 3.204 1.00 0.00 H new ATOM 0 HA HIS A 18 1.613 5.894 3.599 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.649 3.552 5.300 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.385 5.118 6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.309 2.070 4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.493 5.023 5.789 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.206 2.633 5.135 1.00 0.00 H new ATOM 307 N LEU A 19 4.832 5.361 3.534 1.00 0.00 N ATOM 308 CA LEU A 19 6.154 6.089 3.635 1.00 0.00 C ATOM 309 C LEU A 19 6.061 7.446 2.898 1.00 0.00 C ATOM 310 O LEU A 19 5.767 7.482 1.713 1.00 0.00 O ATOM 311 CB LEU A 19 7.213 5.186 2.969 1.00 0.00 C ATOM 312 CG LEU A 19 7.596 4.004 3.884 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.450 3.015 3.084 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.395 4.486 5.109 1.00 0.00 C ATOM 0 H LEU A 19 4.883 4.431 3.119 1.00 0.00 H new ATOM 0 HA LEU A 19 6.418 6.291 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.827 4.806 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.102 5.773 2.738 1.00 0.00 H new ATOM 0 HG LEU A 19 6.682 3.526 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.727 2.175 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.880 2.650 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.352 3.515 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.651 3.632 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.309 4.979 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.792 5.189 5.683 1.00 0.00 H new ATOM 326 N PRO A 20 6.284 8.525 3.640 1.00 0.00 N ATOM 327 CA PRO A 20 6.189 9.907 3.067 1.00 0.00 C ATOM 328 C PRO A 20 7.244 10.217 1.980 1.00 0.00 C ATOM 329 O PRO A 20 7.065 11.160 1.228 1.00 0.00 O ATOM 330 CB PRO A 20 6.387 10.812 4.286 1.00 0.00 C ATOM 331 CG PRO A 20 7.142 9.974 5.262 1.00 0.00 C ATOM 332 CD PRO A 20 6.646 8.572 5.071 1.00 0.00 C ATOM 0 HA PRO A 20 5.239 10.048 2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.943 11.713 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.431 11.136 4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.215 10.036 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.970 10.313 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.414 7.838 5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.788 8.360 5.709 1.00 0.00 H new ATOM 340 N ASN A 21 8.333 9.465 1.879 1.00 0.00 N ATOM 341 CA ASN A 21 9.357 9.776 0.829 1.00 0.00 C ATOM 342 C ASN A 21 9.398 8.697 -0.274 1.00 0.00 C ATOM 343 O ASN A 21 10.236 8.762 -1.158 1.00 0.00 O ATOM 344 CB ASN A 21 10.691 9.880 1.583 1.00 0.00 C ATOM 345 CG ASN A 21 10.640 11.076 2.548 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.675 12.214 2.121 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.547 10.868 3.833 1.00 0.00 N ATOM 0 H ASN A 21 8.546 8.664 2.473 1.00 0.00 H new ATOM 0 HA ASN A 21 9.123 10.702 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.882 8.960 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.512 10.003 0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.504 11.659 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.517 9.915 4.194 1.00 0.00 H new ATOM 354 N LEU A 22 8.476 7.735 -0.268 1.00 0.00 N ATOM 355 CA LEU A 22 8.460 6.710 -1.361 1.00 0.00 C ATOM 356 C LEU A 22 7.638 7.249 -2.531 1.00 0.00 C ATOM 357 O LEU A 22 6.590 7.850 -2.347 1.00 0.00 O ATOM 358 CB LEU A 22 7.815 5.423 -0.795 1.00 0.00 C ATOM 359 CG LEU A 22 8.836 4.535 -0.037 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.446 3.065 -0.196 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.249 4.706 -0.593 1.00 0.00 C ATOM 0 H LEU A 22 7.750 7.627 0.441 1.00 0.00 H new ATOM 0 HA LEU A 22 9.468 6.491 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.002 5.693 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.375 4.851 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 22 8.824 4.838 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.162 2.439 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.449 2.906 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.448 2.800 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.938 4.069 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.262 4.424 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.556 5.747 -0.492 1.00 0.00 H new ATOM 373 N ASN A 23 8.113 7.032 -3.730 1.00 0.00 N ATOM 374 CA ASN A 23 7.382 7.520 -4.949 1.00 0.00 C ATOM 375 C ASN A 23 6.804 6.344 -5.731 1.00 0.00 C ATOM 376 O ASN A 23 6.903 5.207 -5.316 1.00 0.00 O ATOM 377 CB ASN A 23 8.396 8.313 -5.804 1.00 0.00 C ATOM 378 CG ASN A 23 9.734 7.565 -5.938 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.841 6.632 -6.701 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.760 7.937 -5.217 1.00 0.00 N ATOM 0 H ASN A 23 8.982 6.534 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 23 6.544 8.159 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.977 8.490 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.569 9.290 -5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.647 7.441 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.673 8.723 -4.573 1.00 0.00 H new ATOM 387 N GLU A 24 6.193 6.617 -6.861 1.00 0.00 N ATOM 388 CA GLU A 24 5.587 5.516 -7.688 1.00 0.00 C ATOM 389 C GLU A 24 6.665 4.510 -8.124 1.00 0.00 C ATOM 390 O GLU A 24 6.403 3.331 -8.183 1.00 0.00 O ATOM 391 CB GLU A 24 4.946 6.207 -8.901 1.00 0.00 C ATOM 392 CG GLU A 24 4.069 5.202 -9.665 1.00 0.00 C ATOM 393 CD GLU A 24 2.691 5.816 -9.951 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.602 6.632 -10.853 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.748 5.453 -9.264 1.00 0.00 O ATOM 0 H GLU A 24 6.086 7.554 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 24 4.847 4.948 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.344 7.054 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.721 6.602 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.553 4.923 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.955 4.289 -9.081 1.00 0.00 H new ATOM 402 N GLU A 25 7.872 4.958 -8.406 1.00 0.00 N ATOM 403 CA GLU A 25 8.958 4.002 -8.815 1.00 0.00 C ATOM 404 C GLU A 25 9.367 3.105 -7.625 1.00 0.00 C ATOM 405 O GLU A 25 9.482 1.903 -7.772 1.00 0.00 O ATOM 406 CB GLU A 25 10.134 4.881 -9.268 1.00 0.00 C ATOM 407 CG GLU A 25 11.249 4.007 -9.860 1.00 0.00 C ATOM 408 CD GLU A 25 12.479 4.869 -10.157 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.503 5.493 -11.206 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.378 4.889 -9.332 1.00 0.00 O ATOM 0 H GLU A 25 8.150 5.939 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 25 8.630 3.334 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.794 5.602 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.519 5.451 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.510 3.212 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.901 3.526 -10.774 1.00 0.00 H new ATOM 417 N GLN A 26 9.582 3.685 -6.454 1.00 0.00 N ATOM 418 CA GLN A 26 9.990 2.868 -5.251 1.00 0.00 C ATOM 419 C GLN A 26 8.802 2.093 -4.669 1.00 0.00 C ATOM 420 O GLN A 26 8.875 0.890 -4.505 1.00 0.00 O ATOM 421 CB GLN A 26 10.538 3.869 -4.215 1.00 0.00 C ATOM 422 CG GLN A 26 11.783 4.598 -4.762 1.00 0.00 C ATOM 423 CD GLN A 26 12.827 3.597 -5.290 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.072 2.571 -4.690 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.459 3.854 -6.398 1.00 0.00 N ATOM 0 H GLN A 26 9.492 4.686 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 26 10.738 2.125 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.767 4.597 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.794 3.343 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.488 5.276 -5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.226 5.208 -3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.261 4.713 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.152 3.196 -6.754 1.00 0.00 H new ATOM 434 N ARG A 27 7.719 2.772 -4.351 1.00 0.00 N ATOM 435 CA ARG A 27 6.516 2.090 -3.758 1.00 0.00 C ATOM 436 C ARG A 27 5.956 0.985 -4.691 1.00 0.00 C ATOM 437 O ARG A 27 5.709 -0.116 -4.244 1.00 0.00 O ATOM 438 CB ARG A 27 5.475 3.208 -3.584 1.00 0.00 C ATOM 439 CG ARG A 27 4.108 2.629 -3.188 1.00 0.00 C ATOM 440 CD ARG A 27 3.023 3.686 -3.395 1.00 0.00 C ATOM 441 NE ARG A 27 3.028 3.985 -4.867 1.00 0.00 N ATOM 442 CZ ARG A 27 3.086 5.227 -5.301 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.919 6.087 -4.753 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.318 5.607 -6.291 1.00 0.00 N ATOM 0 H ARG A 27 7.616 3.779 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 27 6.769 1.593 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.812 3.909 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.381 3.770 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.888 1.746 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.125 2.310 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.049 3.317 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.233 4.583 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 27 2.986 3.218 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.525 5.793 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.958 7.047 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.677 4.942 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.360 6.568 -6.629 1.00 0.00 H new ATOM 458 N ASN A 28 5.754 1.273 -5.972 1.00 0.00 N ATOM 459 CA ASN A 28 5.205 0.230 -6.914 1.00 0.00 C ATOM 460 C ASN A 28 6.193 -0.918 -7.071 1.00 0.00 C ATOM 461 O ASN A 28 5.803 -2.066 -7.025 1.00 0.00 O ATOM 462 CB ASN A 28 5.001 0.937 -8.247 1.00 0.00 C ATOM 463 CG ASN A 28 4.302 0.021 -9.265 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.723 -0.992 -8.917 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.333 0.345 -10.525 1.00 0.00 N ATOM 0 H ASN A 28 5.946 2.180 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 28 4.274 -0.195 -6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.405 1.837 -8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.965 1.255 -8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.874 -0.249 -11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.817 1.193 -10.822 1.00 0.00 H new ATOM 472 N ALA A 29 7.472 -0.615 -7.225 1.00 0.00 N ATOM 473 CA ALA A 29 8.505 -1.699 -7.347 1.00 0.00 C ATOM 474 C ALA A 29 8.433 -2.596 -6.119 1.00 0.00 C ATOM 475 O ALA A 29 8.536 -3.804 -6.218 1.00 0.00 O ATOM 476 CB ALA A 29 9.836 -0.983 -7.358 1.00 0.00 C ATOM 0 H ALA A 29 7.839 0.336 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 29 8.358 -2.311 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.641 -1.713 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.874 -0.298 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.954 -0.421 -6.432 1.00 0.00 H new ATOM 482 N PHE A 30 8.216 -1.996 -4.965 1.00 0.00 N ATOM 483 CA PHE A 30 8.081 -2.780 -3.707 1.00 0.00 C ATOM 484 C PHE A 30 6.853 -3.639 -3.773 1.00 0.00 C ATOM 485 O PHE A 30 6.914 -4.798 -3.488 1.00 0.00 O ATOM 486 CB PHE A 30 7.952 -1.751 -2.593 1.00 0.00 C ATOM 487 CG PHE A 30 9.323 -1.224 -2.254 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.452 -2.040 -2.423 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.465 0.064 -1.752 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.701 -1.572 -2.098 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.728 0.530 -1.416 1.00 0.00 C ATOM 492 CZ PHE A 30 11.846 -0.302 -1.591 1.00 0.00 C ATOM 0 H PHE A 30 8.127 -0.986 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 30 8.932 -3.440 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.302 -0.935 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.494 -2.203 -1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.338 -3.041 -2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.599 0.697 -1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.568 -2.200 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.851 1.528 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.829 0.059 -1.325 1.00 0.00 H new ATOM 502 N ILE A 31 5.760 -3.077 -4.197 1.00 0.00 N ATOM 503 CA ILE A 31 4.510 -3.868 -4.345 1.00 0.00 C ATOM 504 C ILE A 31 4.735 -4.965 -5.410 1.00 0.00 C ATOM 505 O ILE A 31 4.171 -6.027 -5.306 1.00 0.00 O ATOM 506 CB ILE A 31 3.446 -2.834 -4.717 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.295 -1.874 -3.532 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.131 -3.530 -4.969 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.587 -0.605 -3.963 1.00 0.00 C ATOM 0 H ILE A 31 5.678 -2.092 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 31 4.197 -4.404 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 31 3.737 -2.293 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.732 -2.358 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.277 -1.630 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.374 -2.792 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.247 -4.241 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.821 -4.060 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.489 0.065 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.166 -0.113 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.597 -0.853 -4.346 1.00 0.00 H new ATOM 521 N GLN A 32 5.609 -4.735 -6.392 1.00 0.00 N ATOM 522 CA GLN A 32 5.917 -5.804 -7.409 1.00 0.00 C ATOM 523 C GLN A 32 6.761 -6.916 -6.740 1.00 0.00 C ATOM 524 O GLN A 32 6.439 -8.085 -6.846 1.00 0.00 O ATOM 525 CB GLN A 32 6.691 -5.091 -8.530 1.00 0.00 C ATOM 526 CG GLN A 32 5.730 -4.187 -9.313 1.00 0.00 C ATOM 527 CD GLN A 32 6.508 -3.315 -10.303 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.826 -2.180 -10.010 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.829 -3.797 -11.475 1.00 0.00 N ATOM 0 H GLN A 32 6.113 -3.858 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 32 5.024 -6.285 -7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.503 -4.499 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.145 -5.824 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.002 -4.796 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.171 -3.555 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.564 -4.750 -11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.345 -3.220 -12.140 1.00 0.00 H new ATOM 538 N SER A 33 7.803 -6.540 -6.011 1.00 0.00 N ATOM 539 CA SER A 33 8.660 -7.543 -5.262 1.00 0.00 C ATOM 540 C SER A 33 7.889 -8.142 -4.060 1.00 0.00 C ATOM 541 O SER A 33 8.159 -9.247 -3.631 1.00 0.00 O ATOM 542 CB SER A 33 9.898 -6.762 -4.784 1.00 0.00 C ATOM 543 OG SER A 33 9.521 -5.499 -4.246 1.00 0.00 O ATOM 0 H SER A 33 8.099 -5.570 -5.902 1.00 0.00 H new ATOM 0 HA SER A 33 8.938 -8.383 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.429 -7.341 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.586 -6.617 -5.617 1.00 0.00 H new ATOM 0 HG SER A 33 8.589 -5.537 -3.944 1.00 0.00 H new ATOM 549 N LEU A 34 6.944 -7.398 -3.526 1.00 0.00 N ATOM 550 CA LEU A 34 6.125 -7.847 -2.351 1.00 0.00 C ATOM 551 C LEU A 34 4.973 -8.767 -2.804 1.00 0.00 C ATOM 552 O LEU A 34 4.779 -9.829 -2.239 1.00 0.00 O ATOM 553 CB LEU A 34 5.619 -6.516 -1.768 1.00 0.00 C ATOM 554 CG LEU A 34 4.896 -6.699 -0.442 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.894 -7.010 0.651 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.188 -5.398 -0.093 1.00 0.00 C ATOM 0 H LEU A 34 6.700 -6.469 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 34 6.678 -8.440 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.463 -5.840 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.946 -6.042 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 34 4.183 -7.519 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.369 -7.140 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.429 -7.927 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.604 -6.188 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.664 -5.512 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.921 -4.596 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.471 -5.153 -0.876 1.00 0.00 H new ATOM 568 N LYS A 35 4.220 -8.375 -3.828 1.00 0.00 N ATOM 569 CA LYS A 35 3.086 -9.241 -4.337 1.00 0.00 C ATOM 570 C LYS A 35 3.661 -10.542 -4.941 1.00 0.00 C ATOM 571 O LYS A 35 3.034 -11.584 -4.868 1.00 0.00 O ATOM 572 CB LYS A 35 2.312 -8.399 -5.391 1.00 0.00 C ATOM 573 CG LYS A 35 1.187 -7.617 -4.718 1.00 0.00 C ATOM 574 CD LYS A 35 -0.115 -7.799 -5.502 1.00 0.00 C ATOM 575 CE LYS A 35 -1.303 -7.761 -4.529 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.788 -9.171 -4.428 1.00 0.00 N ATOM 0 H LYS A 35 4.344 -7.495 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 35 2.406 -9.537 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.995 -7.711 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.901 -9.054 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.055 -7.962 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.447 -6.560 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.216 -7.011 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.100 -8.747 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.998 -7.381 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.089 -7.102 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.507 -9.238 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.205 -9.461 -5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.990 -9.797 -4.198 1.00 0.00 H new ATOM 590 N ASP A 36 4.855 -10.484 -5.513 1.00 0.00 N ATOM 591 CA ASP A 36 5.494 -11.710 -6.099 1.00 0.00 C ATOM 592 C ASP A 36 6.219 -12.540 -5.009 1.00 0.00 C ATOM 593 O ASP A 36 6.084 -13.750 -4.970 1.00 0.00 O ATOM 594 CB ASP A 36 6.498 -11.184 -7.138 1.00 0.00 C ATOM 595 CG ASP A 36 7.070 -12.347 -7.954 1.00 0.00 C ATOM 596 OD1 ASP A 36 6.442 -12.729 -8.929 1.00 0.00 O ATOM 597 OD2 ASP A 36 8.128 -12.837 -7.593 1.00 0.00 O ATOM 0 H ASP A 36 5.411 -9.633 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 36 4.753 -12.374 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.007 -10.471 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.305 -10.650 -6.637 1.00 0.00 H new ATOM 602 N ASP A 37 6.993 -11.900 -4.138 1.00 0.00 N ATOM 603 CA ASP A 37 7.737 -12.656 -3.067 1.00 0.00 C ATOM 604 C ASP A 37 7.183 -12.340 -1.658 1.00 0.00 C ATOM 605 O ASP A 37 7.316 -11.223 -1.181 1.00 0.00 O ATOM 606 CB ASP A 37 9.200 -12.198 -3.184 1.00 0.00 C ATOM 607 CG ASP A 37 10.124 -13.264 -2.580 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.075 -13.456 -1.373 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.867 -13.871 -3.333 1.00 0.00 O ATOM 0 H ASP A 37 7.137 -10.890 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 37 7.630 -13.732 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.456 -12.031 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.337 -11.248 -2.666 1.00 0.00 H new ATOM 614 N PRO A 38 6.573 -13.343 -1.037 1.00 0.00 N ATOM 615 CA PRO A 38 5.993 -13.174 0.329 1.00 0.00 C ATOM 616 C PRO A 38 7.069 -13.060 1.438 1.00 0.00 C ATOM 617 O PRO A 38 6.946 -12.232 2.323 1.00 0.00 O ATOM 618 CB PRO A 38 5.165 -14.445 0.517 1.00 0.00 C ATOM 619 CG PRO A 38 5.802 -15.458 -0.370 1.00 0.00 C ATOM 620 CD PRO A 38 6.352 -14.708 -1.546 1.00 0.00 C ATOM 0 HA PRO A 38 5.419 -12.251 0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.174 -14.771 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.123 -14.281 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.595 -15.990 0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.075 -16.204 -0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.280 -15.154 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.653 -14.712 -2.383 1.00 0.00 H new ATOM 628 N SER A 39 8.098 -13.894 1.409 1.00 0.00 N ATOM 629 CA SER A 39 9.164 -13.849 2.482 1.00 0.00 C ATOM 630 C SER A 39 9.982 -12.536 2.446 1.00 0.00 C ATOM 631 O SER A 39 10.479 -12.097 3.470 1.00 0.00 O ATOM 632 CB SER A 39 10.072 -15.065 2.222 1.00 0.00 C ATOM 633 OG SER A 39 10.851 -14.860 1.045 1.00 0.00 O ATOM 0 H SER A 39 8.245 -14.602 0.690 1.00 0.00 H new ATOM 0 HA SER A 39 8.709 -13.881 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.729 -15.226 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.465 -15.964 2.112 1.00 0.00 H new ATOM 0 HG SER A 39 10.322 -14.366 0.384 1.00 0.00 H new ATOM 639 N GLN A 40 10.119 -11.911 1.290 1.00 0.00 N ATOM 640 CA GLN A 40 10.901 -10.627 1.195 1.00 0.00 C ATOM 641 C GLN A 40 10.090 -9.408 1.683 1.00 0.00 C ATOM 642 O GLN A 40 10.623 -8.321 1.732 1.00 0.00 O ATOM 643 CB GLN A 40 11.215 -10.447 -0.303 1.00 0.00 C ATOM 644 CG GLN A 40 12.715 -10.608 -0.563 1.00 0.00 C ATOM 645 CD GLN A 40 13.487 -9.429 0.045 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.290 -9.614 0.937 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.282 -8.216 -0.401 1.00 0.00 N ATOM 0 H GLN A 40 9.722 -12.237 0.409 1.00 0.00 H new ATOM 0 HA GLN A 40 11.791 -10.684 1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.659 -11.180 -0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.887 -9.461 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.068 -11.545 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.902 -10.661 -1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.609 -8.055 -1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.796 -7.431 0.000 1.00 0.00 H new ATOM 656 N SER A 41 8.813 -9.562 1.992 1.00 0.00 N ATOM 657 CA SER A 41 7.966 -8.385 2.405 1.00 0.00 C ATOM 658 C SER A 41 8.561 -7.549 3.551 1.00 0.00 C ATOM 659 O SER A 41 8.631 -6.343 3.422 1.00 0.00 O ATOM 660 CB SER A 41 6.606 -8.973 2.814 1.00 0.00 C ATOM 661 OG SER A 41 6.765 -9.859 3.919 1.00 0.00 O ATOM 0 H SER A 41 8.322 -10.456 1.975 1.00 0.00 H new ATOM 0 HA SER A 41 7.894 -7.685 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.919 -8.169 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.164 -9.506 1.972 1.00 0.00 H new ATOM 0 HG SER A 41 6.849 -10.779 3.591 1.00 0.00 H new ATOM 667 N ALA A 42 8.984 -8.142 4.654 1.00 0.00 N ATOM 668 CA ALA A 42 9.574 -7.297 5.757 1.00 0.00 C ATOM 669 C ALA A 42 10.795 -6.545 5.234 1.00 0.00 C ATOM 670 O ALA A 42 10.899 -5.347 5.400 1.00 0.00 O ATOM 671 CB ALA A 42 10.038 -8.249 6.823 1.00 0.00 C ATOM 0 H ALA A 42 8.949 -9.145 4.836 1.00 0.00 H new ATOM 0 HA ALA A 42 8.841 -6.581 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.475 -7.686 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.190 -8.828 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.786 -8.924 6.407 1.00 0.00 H new ATOM 677 N ASN A 43 11.695 -7.251 4.564 1.00 0.00 N ATOM 678 CA ASN A 43 12.900 -6.597 3.963 1.00 0.00 C ATOM 679 C ASN A 43 12.445 -5.506 3.015 1.00 0.00 C ATOM 680 O ASN A 43 13.043 -4.468 2.953 1.00 0.00 O ATOM 681 CB ASN A 43 13.601 -7.665 3.140 1.00 0.00 C ATOM 682 CG ASN A 43 14.702 -8.337 3.966 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.589 -9.493 4.319 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.769 -7.658 4.291 1.00 0.00 N ATOM 0 H ASN A 43 11.637 -8.258 4.412 1.00 0.00 H new ATOM 0 HA ASN A 43 13.547 -6.175 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.879 -8.411 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.031 -7.219 2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.506 -8.099 4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.865 -6.687 3.995 1.00 0.00 H new ATOM 691 N LEU A 44 11.376 -5.757 2.283 1.00 0.00 N ATOM 692 CA LEU A 44 10.832 -4.746 1.332 1.00 0.00 C ATOM 693 C LEU A 44 10.358 -3.538 2.072 1.00 0.00 C ATOM 694 O LEU A 44 10.638 -2.430 1.663 1.00 0.00 O ATOM 695 CB LEU A 44 9.697 -5.422 0.601 1.00 0.00 C ATOM 696 CG LEU A 44 10.322 -6.321 -0.430 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.234 -7.167 -1.062 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.041 -5.430 -1.446 1.00 0.00 C ATOM 0 H LEU A 44 10.857 -6.635 2.311 1.00 0.00 H new ATOM 0 HA LEU A 44 11.593 -4.403 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.079 -5.996 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.047 -4.685 0.129 1.00 0.00 H new ATOM 0 HG LEU A 44 11.051 -7.005 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.674 -7.824 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.748 -7.768 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.497 -6.518 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.507 -6.052 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.322 -4.758 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.807 -4.844 -0.938 1.00 0.00 H new ATOM 710 N LEU A 45 9.696 -3.726 3.182 1.00 0.00 N ATOM 711 CA LEU A 45 9.306 -2.532 3.956 1.00 0.00 C ATOM 712 C LEU A 45 10.581 -1.914 4.535 1.00 0.00 C ATOM 713 O LEU A 45 10.748 -0.730 4.483 1.00 0.00 O ATOM 714 CB LEU A 45 8.360 -2.988 5.043 1.00 0.00 C ATOM 715 CG LEU A 45 8.155 -1.849 6.037 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.810 -0.541 5.287 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.038 -2.242 6.991 1.00 0.00 C ATOM 0 H LEU A 45 9.419 -4.628 3.570 1.00 0.00 H new ATOM 0 HA LEU A 45 8.805 -1.780 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.405 -3.285 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.765 -3.863 5.552 1.00 0.00 H new ATOM 0 HG LEU A 45 9.070 -1.672 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.666 0.264 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.626 -0.283 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.895 -0.682 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.875 -1.440 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.121 -2.415 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.315 -3.154 7.520 1.00 0.00 H new ATOM 729 N ALA A 46 11.490 -2.718 5.055 1.00 0.00 N ATOM 730 CA ALA A 46 12.783 -2.160 5.591 1.00 0.00 C ATOM 731 C ALA A 46 13.512 -1.369 4.506 1.00 0.00 C ATOM 732 O ALA A 46 13.942 -0.272 4.753 1.00 0.00 O ATOM 733 CB ALA A 46 13.640 -3.363 5.934 1.00 0.00 C ATOM 0 H ALA A 46 11.393 -3.731 5.131 1.00 0.00 H new ATOM 0 HA ALA A 46 12.596 -1.505 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.598 -3.026 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.131 -3.971 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.808 -3.958 5.036 1.00 0.00 H new ATOM 739 N GLU A 47 13.632 -1.920 3.305 1.00 0.00 N ATOM 740 CA GLU A 47 14.310 -1.176 2.200 1.00 0.00 C ATOM 741 C GLU A 47 13.429 0.007 1.797 1.00 0.00 C ATOM 742 O GLU A 47 13.939 1.072 1.523 1.00 0.00 O ATOM 743 CB GLU A 47 14.592 -2.160 1.047 1.00 0.00 C ATOM 744 CG GLU A 47 13.344 -2.798 0.496 1.00 0.00 C ATOM 745 CD GLU A 47 13.756 -3.999 -0.371 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.861 -5.088 0.172 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.976 -3.810 -1.555 1.00 0.00 O ATOM 0 H GLU A 47 13.288 -2.847 3.055 1.00 0.00 H new ATOM 0 HA GLU A 47 15.271 -0.765 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.108 -1.632 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.266 -2.940 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.693 -3.122 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.780 -2.078 -0.097 1.00 0.00 H new ATOM 754 N ALA A 48 12.107 -0.139 1.823 1.00 0.00 N ATOM 755 CA ALA A 48 11.228 1.022 1.532 1.00 0.00 C ATOM 756 C ALA A 48 11.389 2.085 2.632 1.00 0.00 C ATOM 757 O ALA A 48 11.420 3.267 2.352 1.00 0.00 O ATOM 758 CB ALA A 48 9.832 0.440 1.568 1.00 0.00 C ATOM 0 H ALA A 48 11.621 -1.011 2.033 1.00 0.00 H new ATOM 0 HA ALA A 48 11.458 1.505 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.105 1.226 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.744 -0.342 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.640 0.016 2.554 1.00 0.00 H new ATOM 764 N LYS A 49 11.536 1.652 3.873 1.00 0.00 N ATOM 765 CA LYS A 49 11.746 2.596 5.012 1.00 0.00 C ATOM 766 C LYS A 49 13.169 3.157 4.909 1.00 0.00 C ATOM 767 O LYS A 49 13.414 4.326 5.144 1.00 0.00 O ATOM 768 CB LYS A 49 11.532 1.740 6.258 1.00 0.00 C ATOM 769 CG LYS A 49 10.098 1.964 6.730 1.00 0.00 C ATOM 770 CD LYS A 49 9.578 0.704 7.389 1.00 0.00 C ATOM 771 CE LYS A 49 10.061 0.666 8.829 1.00 0.00 C ATOM 772 NZ LYS A 49 9.329 -0.465 9.473 1.00 0.00 N ATOM 0 H LYS A 49 11.518 0.667 4.139 1.00 0.00 H new ATOM 0 HA LYS A 49 11.074 3.454 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.701 0.687 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.240 2.017 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.062 2.796 7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.464 2.233 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.489 0.684 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.930 -0.176 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.139 0.512 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.851 1.607 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.618 -0.544 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.305 -0.289 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.553 -1.351 8.976 1.00 0.00 H new ATOM 786 N LYS A 50 14.074 2.311 4.465 1.00 0.00 N ATOM 787 CA LYS A 50 15.490 2.708 4.206 1.00 0.00 C ATOM 788 C LYS A 50 15.470 3.782 3.101 1.00 0.00 C ATOM 789 O LYS A 50 16.197 4.757 3.157 1.00 0.00 O ATOM 790 CB LYS A 50 16.134 1.380 3.742 1.00 0.00 C ATOM 791 CG LYS A 50 17.375 1.585 2.865 1.00 0.00 C ATOM 792 CD LYS A 50 17.481 0.401 1.886 1.00 0.00 C ATOM 793 CE LYS A 50 17.962 -0.852 2.632 1.00 0.00 C ATOM 794 NZ LYS A 50 18.213 -1.878 1.574 1.00 0.00 N ATOM 0 H LYS A 50 13.877 1.330 4.267 1.00 0.00 H new ATOM 0 HA LYS A 50 16.034 3.135 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.409 0.792 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.396 0.800 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.301 2.524 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.270 1.647 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.512 0.211 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.174 0.644 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.869 -0.646 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.211 -1.197 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.544 -2.759 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.332 -2.062 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.938 -1.528 0.916 1.00 0.00 H new ATOM 808 N LEU A 51 14.589 3.611 2.122 1.00 0.00 N ATOM 809 CA LEU A 51 14.438 4.613 1.020 1.00 0.00 C ATOM 810 C LEU A 51 13.750 5.868 1.549 1.00 0.00 C ATOM 811 O LEU A 51 14.066 6.965 1.148 1.00 0.00 O ATOM 812 CB LEU A 51 13.526 3.942 -0.016 1.00 0.00 C ATOM 813 CG LEU A 51 14.321 3.366 -1.191 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.673 2.811 -0.738 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.513 2.234 -1.797 1.00 0.00 C ATOM 0 H LEU A 51 13.966 2.806 2.049 1.00 0.00 H new ATOM 0 HA LEU A 51 15.403 4.903 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.958 3.145 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.804 4.669 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 51 14.504 4.162 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.209 2.411 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.260 3.609 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.514 2.017 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.059 1.806 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.344 1.464 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.554 2.617 -2.145 1.00 0.00 H new ATOM 827 N ASN A 52 12.801 5.695 2.448 1.00 0.00 N ATOM 828 CA ASN A 52 12.062 6.853 3.027 1.00 0.00 C ATOM 829 C ASN A 52 13.042 7.846 3.671 1.00 0.00 C ATOM 830 O ASN A 52 12.894 9.038 3.513 1.00 0.00 O ATOM 831 CB ASN A 52 11.133 6.239 4.079 1.00 0.00 C ATOM 832 CG ASN A 52 10.136 7.287 4.560 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.256 7.681 3.827 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.243 7.760 5.767 1.00 0.00 N ATOM 0 H ASN A 52 12.510 4.785 2.804 1.00 0.00 H new ATOM 0 HA ASN A 52 11.508 7.412 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.603 5.386 3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.717 5.866 4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.585 8.465 6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.985 7.426 6.382 1.00 0.00 H new ATOM 841 N ASP A 53 14.046 7.353 4.371 1.00 0.00 N ATOM 842 CA ASP A 53 15.059 8.265 5.008 1.00 0.00 C ATOM 843 C ASP A 53 16.139 8.677 3.993 1.00 0.00 C ATOM 844 O ASP A 53 16.532 9.828 3.949 1.00 0.00 O ATOM 845 CB ASP A 53 15.680 7.456 6.147 1.00 0.00 C ATOM 846 CG ASP A 53 16.623 8.348 6.966 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.137 9.046 7.842 1.00 0.00 O ATOM 848 OD2 ASP A 53 17.813 8.320 6.699 1.00 0.00 O ATOM 0 H ASP A 53 14.206 6.358 4.528 1.00 0.00 H new ATOM 0 HA ASP A 53 14.598 9.185 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.896 7.054 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.229 6.605 5.743 1.00 0.00 H new ATOM 853 N ALA A 54 16.620 7.749 3.181 1.00 0.00 N ATOM 854 CA ALA A 54 17.676 8.093 2.163 1.00 0.00 C ATOM 855 C ALA A 54 17.119 9.120 1.162 1.00 0.00 C ATOM 856 O ALA A 54 17.724 10.151 0.925 1.00 0.00 O ATOM 857 CB ALA A 54 18.009 6.771 1.465 1.00 0.00 C ATOM 0 H ALA A 54 16.326 6.772 3.182 1.00 0.00 H new ATOM 0 HA ALA A 54 18.563 8.538 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.774 6.942 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.379 6.055 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.111 6.373 0.991 1.00 0.00 H new ATOM 863 N GLN A 55 15.945 8.855 0.618 1.00 0.00 N ATOM 864 CA GLN A 55 15.290 9.817 -0.333 1.00 0.00 C ATOM 865 C GLN A 55 14.765 11.057 0.428 1.00 0.00 C ATOM 866 O GLN A 55 14.578 12.106 -0.166 1.00 0.00 O ATOM 867 CB GLN A 55 14.121 9.062 -0.976 1.00 0.00 C ATOM 868 CG GLN A 55 14.642 7.877 -1.808 1.00 0.00 C ATOM 869 CD GLN A 55 13.473 7.240 -2.562 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.494 7.145 -3.772 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.442 6.806 -1.892 1.00 0.00 N ATOM 0 H GLN A 55 15.411 8.005 0.796 1.00 0.00 H new ATOM 0 HA GLN A 55 15.998 10.169 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.443 8.701 -0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.549 9.738 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.402 8.217 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.116 7.141 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.424 6.886 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.653 6.387 -2.385 1.00 0.00 H new ATOM 880 N ALA A 56 14.510 10.933 1.732 1.00 0.00 N ATOM 881 CA ALA A 56 13.979 12.089 2.542 1.00 0.00 C ATOM 882 C ALA A 56 14.878 13.327 2.449 1.00 0.00 C ATOM 883 O ALA A 56 16.076 13.216 2.243 1.00 0.00 O ATOM 884 CB ALA A 56 13.941 11.630 4.004 1.00 0.00 C ATOM 0 H ALA A 56 14.651 10.073 2.263 1.00 0.00 H new ATOM 0 HA ALA A 56 12.997 12.367 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.562 12.438 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.288 10.762 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.947 11.363 4.328 1.00 0.00 H new ATOM 1014 N ASN B 6 0.211 -5.771 -8.719 1.00 0.00 N ATOM 1015 CA ASN B 6 1.165 -4.878 -7.938 1.00 0.00 C ATOM 1016 C ASN B 6 1.190 -3.454 -8.527 1.00 0.00 C ATOM 1017 O ASN B 6 1.248 -2.475 -7.801 1.00 0.00 O ATOM 1018 CB ASN B 6 2.585 -5.510 -7.969 1.00 0.00 C ATOM 1019 CG ASN B 6 2.858 -6.332 -9.244 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.889 -7.545 -9.188 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.069 -5.731 -10.383 1.00 0.00 N ATOM 0 HA ASN B 6 0.823 -4.800 -6.906 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.330 -4.718 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.708 -6.153 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.259 -6.280 -11.222 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.044 -4.713 -10.435 1.00 0.00 H new ATOM 1028 N LYS B 7 1.095 -3.336 -9.829 1.00 0.00 N ATOM 1029 CA LYS B 7 1.060 -1.984 -10.491 1.00 0.00 C ATOM 1030 C LYS B 7 -0.197 -1.227 -10.052 1.00 0.00 C ATOM 1031 O LYS B 7 -0.162 -0.031 -9.817 1.00 0.00 O ATOM 1032 CB LYS B 7 1.028 -2.281 -11.994 1.00 0.00 C ATOM 1033 CG LYS B 7 1.165 -0.985 -12.802 1.00 0.00 C ATOM 1034 CD LYS B 7 1.251 -1.315 -14.301 1.00 0.00 C ATOM 1035 CE LYS B 7 -0.097 -1.867 -14.801 1.00 0.00 C ATOM 1036 NZ LYS B 7 0.133 -3.322 -15.067 1.00 0.00 N ATOM 0 H LYS B 7 1.039 -4.125 -10.473 1.00 0.00 H new ATOM 0 HA LYS B 7 1.914 -1.361 -10.225 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.837 -2.965 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.094 -2.780 -12.252 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.311 -0.334 -12.611 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.056 -0.442 -12.488 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.517 -0.420 -14.863 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.039 -2.047 -14.475 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.879 -1.724 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -0.420 -1.350 -15.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.748 -3.756 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.876 -3.430 -15.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.431 -3.793 -14.189 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.289 -1.936 -9.919 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.566 -1.308 -9.462 1.00 0.00 C ATOM 1052 C GLU B 8 -2.465 -0.850 -8.012 1.00 0.00 C ATOM 1053 O GLU B 8 -3.029 0.159 -7.667 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.642 -2.390 -9.614 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.329 -2.254 -10.974 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.031 -3.571 -11.322 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -4.387 -4.423 -11.914 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.197 -3.709 -10.987 1.00 0.00 O ATOM 0 H GLU B 8 -1.351 -2.936 -10.110 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.801 -0.421 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.192 -3.378 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.377 -2.299 -8.815 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.052 -1.439 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.596 -2.006 -11.741 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.735 -1.550 -7.171 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.608 -1.085 -5.747 1.00 0.00 C ATOM 1067 C LEU B 9 -0.729 0.162 -5.675 1.00 0.00 C ATOM 1068 O LEU B 9 -0.841 0.935 -4.742 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.982 -2.182 -4.889 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.611 -3.557 -5.139 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.630 -4.648 -4.658 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.929 -3.640 -4.350 1.00 0.00 C ATOM 0 H LEU B 9 -1.231 -2.406 -7.401 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.605 -0.851 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.087 -2.233 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.092 -1.922 -3.836 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.814 -3.704 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.067 -5.632 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.306 -4.565 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.436 -4.519 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.392 -4.613 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.725 -3.511 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.605 -2.854 -4.687 1.00 0.00 H new ATOM 1084 N SER B 10 0.120 0.395 -6.660 1.00 0.00 N ATOM 1085 CA SER B 10 0.946 1.632 -6.631 1.00 0.00 C ATOM 1086 C SER B 10 -0.009 2.832 -6.763 1.00 0.00 C ATOM 1087 O SER B 10 0.077 3.781 -6.012 1.00 0.00 O ATOM 1088 CB SER B 10 1.893 1.522 -7.825 1.00 0.00 C ATOM 1089 OG SER B 10 2.410 2.806 -8.154 1.00 0.00 O ATOM 0 H SER B 10 0.267 -0.214 -7.465 1.00 0.00 H new ATOM 0 HA SER B 10 1.521 1.760 -5.714 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.711 0.841 -7.590 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.365 1.103 -8.681 1.00 0.00 H new ATOM 0 HG SER B 10 2.159 3.034 -9.074 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.949 2.763 -7.694 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.935 3.885 -7.876 1.00 0.00 C ATOM 1097 C VAL B 11 -3.114 3.721 -6.898 1.00 0.00 C ATOM 1098 O VAL B 11 -3.386 4.602 -6.101 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.416 3.784 -9.339 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.230 5.032 -9.696 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.208 3.668 -10.287 1.00 0.00 C ATOM 0 H VAL B 11 -1.072 1.977 -8.332 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.488 4.858 -7.672 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.039 2.896 -9.449 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.570 4.961 -10.729 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.093 5.105 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.607 5.919 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.559 3.597 -11.317 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.575 4.549 -10.179 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.634 2.776 -10.037 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.799 2.590 -6.953 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.964 2.325 -6.035 1.00 0.00 C ATOM 1113 C ALA B 12 -4.536 2.384 -4.573 1.00 0.00 C ATOM 1114 O ALA B 12 -5.205 2.970 -3.754 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.462 0.905 -6.382 1.00 0.00 C ATOM 0 H ALA B 12 -3.595 1.832 -7.604 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.743 3.076 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.311 0.652 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.768 0.872 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.659 0.187 -6.217 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.425 1.783 -4.258 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.918 1.760 -2.859 1.00 0.00 C ATOM 1123 C GLY B 13 -2.500 3.143 -2.389 1.00 0.00 C ATOM 1124 O GLY B 13 -2.968 3.597 -1.366 1.00 0.00 O ATOM 0 H GLY B 13 -2.832 1.294 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.692 1.370 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.068 1.081 -2.791 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.587 3.793 -3.088 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.105 5.141 -2.610 1.00 0.00 C ATOM 1130 C ARG B 14 -2.274 6.152 -2.430 1.00 0.00 C ATOM 1131 O ARG B 14 -2.276 6.949 -1.505 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.099 5.669 -3.642 1.00 0.00 C ATOM 1133 CG ARG B 14 1.152 6.226 -2.939 1.00 0.00 C ATOM 1134 CD ARG B 14 0.784 7.229 -1.843 1.00 0.00 C ATOM 1135 NE ARG B 14 2.001 7.306 -0.984 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.714 8.402 -0.934 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.448 9.312 -0.029 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.695 8.579 -1.786 1.00 0.00 N ATOM 0 H ARG B 14 -1.162 3.457 -3.952 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.640 5.028 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.186 4.868 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.563 6.450 -4.244 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.722 5.405 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.798 6.709 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.533 8.203 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.083 6.895 -1.274 1.00 0.00 H new ATOM 0 HE ARG B 14 2.280 6.496 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG B 14 1.687 9.165 0.634 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.002 10.167 0.012 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.900 7.864 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.253 9.432 -1.751 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.273 6.127 -3.278 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.422 7.085 -3.094 1.00 0.00 C ATOM 1154 C GLU B 15 -5.247 6.677 -1.843 1.00 0.00 C ATOM 1155 O GLU B 15 -5.598 7.512 -1.034 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.241 6.978 -4.378 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.462 7.587 -5.556 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.292 7.483 -6.841 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.268 6.429 -7.459 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.937 8.458 -7.189 1.00 0.00 O ATOM 0 H GLU B 15 -3.349 5.499 -4.078 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.098 8.112 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.471 5.933 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.193 7.495 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.228 8.631 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.513 7.067 -5.683 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.501 5.385 -1.675 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.259 4.850 -0.466 1.00 0.00 C ATOM 1169 C ILE B 16 -5.459 5.065 0.835 1.00 0.00 C ATOM 1170 O ILE B 16 -6.011 5.335 1.889 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.375 3.332 -0.726 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.343 3.084 -1.897 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.898 2.597 0.525 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.265 1.627 -2.362 1.00 0.00 C ATOM 0 H ILE B 16 -5.211 4.664 -2.335 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.219 5.352 -0.345 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.384 2.949 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.362 3.319 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.098 3.749 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.971 1.530 0.316 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.211 2.758 1.356 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.883 2.983 0.789 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.957 1.472 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.250 1.404 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.533 0.967 -1.537 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.168 4.890 0.751 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.271 5.017 1.940 1.00 0.00 C ATOM 1188 C VAL B 17 -3.139 6.469 2.424 1.00 0.00 C ATOM 1189 O VAL B 17 -2.853 6.694 3.588 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.928 4.438 1.456 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.152 5.411 0.610 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.089 3.993 2.617 1.00 0.00 C ATOM 0 H VAL B 17 -3.683 4.658 -0.116 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.662 4.487 2.809 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.169 3.577 0.832 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.214 4.953 0.296 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.739 5.677 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.940 6.309 1.190 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.146 3.588 2.250 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.890 4.843 3.269 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.621 3.224 3.177 1.00 0.00 H new ATOM 1202 N THR B 18 -3.307 7.455 1.558 1.00 0.00 N ATOM 1203 CA THR B 18 -3.144 8.867 2.027 1.00 0.00 C ATOM 1204 C THR B 18 -4.142 9.859 1.378 1.00 0.00 C ATOM 1205 O THR B 18 -3.811 11.024 1.203 1.00 0.00 O ATOM 1206 CB THR B 18 -1.658 9.209 1.730 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.370 10.549 2.111 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.337 9.018 0.244 1.00 0.00 C ATOM 0 H THR B 18 -3.544 7.341 0.572 1.00 0.00 H new ATOM 0 HA THR B 18 -3.378 8.962 3.087 1.00 0.00 H new ATOM 0 HB THR B 18 -1.037 8.528 2.312 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.083 11.140 1.792 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.291 9.264 0.063 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.520 7.981 -0.037 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.972 9.673 -0.353 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.383 9.456 1.066 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.358 10.473 0.504 1.00 0.00 C ATOM 1218 C LEU B 19 -6.583 11.600 1.559 1.00 0.00 C ATOM 1219 O LEU B 19 -6.313 11.405 2.734 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.649 9.731 0.113 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.134 8.786 1.212 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.616 9.010 1.419 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.906 7.337 0.779 1.00 0.00 C ATOM 0 H LEU B 19 -5.742 8.507 1.173 1.00 0.00 H new ATOM 0 HA LEU B 19 -5.974 10.959 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.430 10.458 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.476 9.163 -0.801 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.587 8.979 2.135 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.979 8.343 2.201 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.790 10.045 1.715 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.148 8.804 0.490 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.252 6.664 1.563 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.460 7.140 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.843 7.173 0.603 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.965 12.772 1.083 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.089 13.992 1.960 1.00 0.00 C ATOM 1237 C PRO B 20 -8.066 13.906 3.153 1.00 0.00 C ATOM 1238 O PRO B 20 -7.907 14.670 4.091 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.516 15.088 0.977 1.00 0.00 C ATOM 1240 CG PRO B 20 -8.140 14.355 -0.160 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.351 13.086 -0.305 1.00 0.00 C ATOM 0 HA PRO B 20 -6.143 14.163 2.474 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -8.222 15.779 1.437 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.661 15.678 0.646 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -9.190 14.143 0.040 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -8.103 14.946 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.948 12.289 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.479 13.224 -0.944 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.072 13.048 3.150 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.025 13.031 4.327 1.00 0.00 C ATOM 1251 C ASN B 21 -10.150 11.655 5.017 1.00 0.00 C ATOM 1252 O ASN B 21 -11.089 11.444 5.772 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.388 13.436 3.755 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.392 14.867 3.192 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.530 15.672 3.487 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.361 15.219 2.397 1.00 0.00 N ATOM 0 H ASN B 21 -9.273 12.377 2.409 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.651 13.705 5.098 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.668 12.738 2.966 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.144 13.355 4.536 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.395 16.168 2.024 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.086 14.546 2.147 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.239 10.724 4.801 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.365 9.389 5.490 1.00 0.00 C ATOM 1265 C LEU B 22 -8.505 9.345 6.757 1.00 0.00 C ATOM 1266 O LEU B 22 -7.554 10.094 6.911 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.863 8.335 4.510 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.571 6.992 4.752 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.736 6.825 3.769 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.569 5.854 4.549 1.00 0.00 C ATOM 0 H LEU B 22 -8.429 10.827 4.190 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.401 9.213 5.780 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.041 8.667 3.487 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.786 8.210 4.622 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.960 6.969 5.770 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.230 5.870 3.949 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.450 7.636 3.910 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.357 6.850 2.747 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.065 4.898 4.719 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.183 5.886 3.530 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.744 5.965 5.253 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.829 8.436 7.639 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.035 8.268 8.911 1.00 0.00 C ATOM 1284 C ASN B 23 -7.177 6.985 8.844 1.00 0.00 C ATOM 1285 O ASN B 23 -7.446 6.094 8.057 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.050 8.246 10.075 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.973 7.014 10.030 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.043 6.315 9.044 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.703 6.723 11.072 1.00 0.00 N ATOM 0 H ASN B 23 -9.615 7.793 7.539 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.333 9.088 9.059 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.511 8.258 11.023 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.656 9.151 10.041 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.324 5.914 11.050 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.653 7.304 11.908 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.121 6.922 9.636 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.170 5.743 9.608 1.00 0.00 C ATOM 1298 C ASP B 24 -5.811 4.332 9.783 1.00 0.00 C ATOM 1299 O ASP B 24 -5.329 3.413 9.148 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.079 6.021 10.673 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.652 6.052 12.097 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.131 7.099 12.502 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.591 5.028 12.759 1.00 0.00 O ATOM 0 H ASP B 24 -5.873 7.646 10.310 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.758 5.678 8.601 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.308 5.253 10.610 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.597 6.974 10.456 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.838 4.155 10.621 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.425 2.785 10.787 1.00 0.00 C ATOM 1310 C PRO B 25 -8.217 2.328 9.543 1.00 0.00 C ATOM 1311 O PRO B 25 -8.150 1.163 9.175 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.343 2.928 11.998 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.705 4.375 12.043 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.545 5.140 11.464 1.00 0.00 C ATOM 0 HA PRO B 25 -6.654 2.026 10.918 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.230 2.303 11.896 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.839 2.619 12.914 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.614 4.563 11.471 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.902 4.691 13.067 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.885 5.993 10.877 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.896 5.531 12.248 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.966 3.216 8.891 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.748 2.781 7.679 1.00 0.00 C ATOM 1324 C GLN B 26 -8.790 2.437 6.534 1.00 0.00 C ATOM 1325 O GLN B 26 -8.913 1.378 5.956 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.715 3.923 7.333 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.782 4.002 8.442 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.947 4.902 8.018 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.958 4.418 7.554 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.859 6.194 8.164 1.00 0.00 N ATOM 0 H GLN B 26 -9.063 4.199 9.145 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.325 1.876 7.867 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.176 4.867 7.256 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.184 3.744 6.366 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.153 3.002 8.667 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.333 4.389 9.357 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.011 6.607 8.554 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.638 6.793 7.889 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.802 3.280 6.245 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.798 2.930 5.164 1.00 0.00 C ATOM 1341 C LYS B 27 -6.076 1.635 5.521 1.00 0.00 C ATOM 1342 O LYS B 27 -5.730 0.872 4.654 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.755 4.052 5.035 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.277 4.612 6.381 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.550 5.938 6.137 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.555 7.046 5.772 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.042 8.287 6.427 1.00 0.00 N ATOM 0 H LYS B 27 -7.651 4.179 6.703 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.333 2.808 4.222 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.894 3.673 4.484 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.180 4.864 4.445 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.125 4.764 7.048 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.611 3.901 6.870 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.993 6.224 7.030 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.824 5.819 5.333 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.623 7.173 4.692 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.556 6.800 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.806 8.991 6.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.708 8.061 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.255 8.674 5.868 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.847 1.395 6.791 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.157 0.135 7.221 1.00 0.00 C ATOM 1363 C LYS B 28 -5.946 -1.080 6.716 1.00 0.00 C ATOM 1364 O LYS B 28 -5.436 -1.869 5.947 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.154 0.164 8.760 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.723 0.199 9.261 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.176 -1.221 9.342 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.644 -1.194 9.284 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.183 -2.418 10.006 1.00 0.00 N ATOM 0 H LYS B 28 -6.110 2.021 7.552 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.145 0.065 6.822 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.698 1.038 9.119 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.667 -0.714 9.152 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.107 0.799 8.591 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.682 0.672 10.242 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.505 -1.695 10.267 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.569 -1.819 8.520 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.293 -1.194 8.252 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.252 -0.292 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.249 -2.241 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.863 -2.656 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.115 -3.211 9.337 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.204 -1.206 7.115 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.051 -2.351 6.621 1.00 0.00 C ATOM 1385 C ALA B 29 -8.238 -2.239 5.093 1.00 0.00 C ATOM 1386 O ALA B 29 -8.325 -3.235 4.401 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.397 -2.210 7.341 1.00 0.00 C ATOM 0 H ALA B 29 -7.674 -0.568 7.757 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.593 -3.319 6.823 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.063 -3.013 7.027 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.241 -2.268 8.418 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.845 -1.248 7.090 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.283 -1.019 4.579 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.448 -0.783 3.103 1.00 0.00 C ATOM 1395 C PHE B 30 -7.253 -1.312 2.325 1.00 0.00 C ATOM 1396 O PHE B 30 -7.406 -2.067 1.389 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.497 0.743 2.943 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.834 1.164 2.434 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.121 1.019 1.082 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.779 1.699 3.313 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.371 1.415 0.600 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.022 2.091 2.833 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.323 1.952 1.479 1.00 0.00 C ATOM 0 H PHE B 30 -8.211 -0.166 5.134 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.338 -1.287 2.726 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.297 1.223 3.901 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.718 1.069 2.254 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.384 0.604 0.410 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.544 1.807 4.362 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.604 1.308 -0.449 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.756 2.504 3.509 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.290 2.258 1.107 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.070 -0.905 2.704 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.851 -1.373 2.001 1.00 0.00 C ATOM 1415 C ILE B 31 -4.713 -2.888 2.210 1.00 0.00 C ATOM 1416 O ILE B 31 -4.387 -3.611 1.292 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.669 -0.632 2.660 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.570 0.828 2.141 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.347 -1.389 2.393 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.120 1.228 2.022 1.00 0.00 C ATOM 0 H ILE B 31 -5.900 -0.263 3.478 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.886 -1.176 0.930 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.844 -0.598 3.735 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.062 0.914 1.172 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.089 1.502 2.822 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.521 -0.856 2.863 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.413 -2.395 2.809 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.174 -1.451 1.319 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.054 2.253 1.657 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.642 1.159 2.999 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.615 0.561 1.323 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.951 -3.361 3.424 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.838 -4.826 3.703 1.00 0.00 C ATOM 1434 C PHE B 32 -5.864 -5.595 2.834 1.00 0.00 C ATOM 1435 O PHE B 32 -5.554 -6.662 2.345 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.048 -4.999 5.229 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.715 -4.774 5.968 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.020 -3.535 5.855 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.141 -5.809 6.762 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.812 -3.358 6.511 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.925 -5.597 7.395 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.269 -4.386 7.271 1.00 0.00 C ATOM 0 H PHE B 32 -5.217 -2.789 4.226 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.865 -5.240 3.439 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.796 -4.290 5.585 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.428 -5.998 5.442 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.434 -2.735 5.259 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.651 -6.755 6.870 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.290 -2.416 6.431 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.487 -6.385 7.990 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.323 -4.238 7.771 1.00 0.00 H new ATOM 1452 N SER B 33 -7.048 -5.033 2.560 1.00 0.00 N ATOM 1453 CA SER B 33 -8.006 -5.741 1.632 1.00 0.00 C ATOM 1454 C SER B 33 -7.550 -5.512 0.165 1.00 0.00 C ATOM 1455 O SER B 33 -7.687 -6.383 -0.671 1.00 0.00 O ATOM 1456 CB SER B 33 -9.404 -5.163 1.906 1.00 0.00 C ATOM 1457 OG SER B 33 -9.421 -3.768 1.656 1.00 0.00 O ATOM 0 H SER B 33 -7.375 -4.141 2.932 1.00 0.00 H new ATOM 0 HA SER B 33 -8.026 -6.818 1.797 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.140 -5.661 1.275 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.688 -5.357 2.940 1.00 0.00 H new ATOM 0 HG SER B 33 -8.502 -3.443 1.551 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.955 -4.353 -0.121 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.406 -4.044 -1.499 1.00 0.00 C ATOM 1465 C LEU B 34 -5.252 -5.017 -1.814 1.00 0.00 C ATOM 1466 O LEU B 34 -5.148 -5.527 -2.915 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.926 -2.572 -1.389 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.053 -2.129 -2.561 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.919 -1.767 -3.782 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.248 -0.895 -2.135 1.00 0.00 C ATOM 0 H LEU B 34 -6.828 -3.601 0.556 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.129 -4.162 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.796 -1.918 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.366 -2.449 -0.462 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.388 -2.947 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.276 -1.454 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.500 -2.637 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.595 -0.953 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.619 -0.567 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.932 -0.092 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.620 -1.147 -1.280 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.416 -5.295 -0.832 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.284 -6.259 -1.016 1.00 0.00 C ATOM 1484 C TRP B 35 -3.812 -7.697 -1.201 1.00 0.00 C ATOM 1485 O TRP B 35 -3.324 -8.437 -2.034 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.472 -6.185 0.278 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.246 -7.012 0.109 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -1.004 -8.190 0.718 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.110 -6.755 -0.748 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.218 -8.662 0.299 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.813 -7.806 -0.599 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.208 -5.713 -1.626 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.012 -7.818 -1.296 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.412 -5.722 -2.325 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.309 -6.766 -2.159 1.00 0.00 C ATOM 0 H TRP B 35 -4.475 -4.886 0.101 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.695 -6.009 -1.898 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.205 -5.152 0.500 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.063 -6.549 1.118 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.661 -8.682 1.419 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.632 -9.539 0.615 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.485 -4.896 -1.762 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.708 -8.634 -1.171 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.648 -4.912 -2.999 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.243 -6.763 -2.702 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.797 -8.086 -0.407 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.367 -9.469 -0.491 1.00 0.00 C ATOM 1508 C ASP B 36 -6.159 -9.646 -1.784 1.00 0.00 C ATOM 1509 O ASP B 36 -6.037 -10.658 -2.451 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.298 -9.607 0.726 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.519 -11.090 1.042 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.734 -11.635 1.802 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.467 -11.653 0.521 1.00 0.00 O ATOM 0 H ASP B 36 -5.229 -7.492 0.301 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.583 -10.226 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.862 -9.103 1.588 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.253 -9.122 0.522 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.974 -8.668 -2.137 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.781 -8.781 -3.379 1.00 0.00 C ATOM 1520 C ASP B 37 -7.654 -7.501 -4.223 1.00 0.00 C ATOM 1521 O ASP B 37 -8.584 -6.707 -4.287 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.249 -9.015 -2.937 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.331 -10.076 -1.828 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.191 -11.249 -2.140 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.529 -9.692 -0.686 1.00 0.00 O ATOM 0 H ASP B 37 -7.106 -7.804 -1.612 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.432 -9.605 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.678 -8.079 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.844 -9.333 -3.793 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.515 -7.348 -4.891 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.309 -6.171 -5.779 1.00 0.00 C ATOM 1532 C PRO B 38 -7.242 -6.224 -7.009 1.00 0.00 C ATOM 1533 O PRO B 38 -7.327 -5.261 -7.744 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.856 -6.261 -6.189 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.519 -7.711 -6.046 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.329 -8.221 -4.884 1.00 0.00 C ATOM 0 HA PRO B 38 -6.541 -5.231 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.710 -5.918 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.224 -5.641 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.760 -8.258 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.453 -7.846 -5.866 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.600 -9.269 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.779 -8.146 -3.946 1.00 0.00 H new ATOM 1544 N SER B 39 -7.987 -7.311 -7.209 1.00 0.00 N ATOM 1545 CA SER B 39 -8.972 -7.353 -8.345 1.00 0.00 C ATOM 1546 C SER B 39 -9.985 -6.216 -8.108 1.00 0.00 C ATOM 1547 O SER B 39 -10.436 -5.564 -9.032 1.00 0.00 O ATOM 1548 CB SER B 39 -9.658 -8.720 -8.256 1.00 0.00 C ATOM 1549 OG SER B 39 -9.830 -9.246 -9.566 1.00 0.00 O ATOM 0 H SER B 39 -7.949 -8.155 -6.637 1.00 0.00 H new ATOM 0 HA SER B 39 -8.515 -7.225 -9.326 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.058 -9.402 -7.654 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.624 -8.623 -7.761 1.00 0.00 H new ATOM 0 HG SER B 39 -10.267 -10.121 -9.512 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.282 -5.951 -6.840 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.197 -4.827 -6.460 1.00 0.00 C ATOM 1557 C GLN B 40 -10.365 -3.551 -6.170 1.00 0.00 C ATOM 1558 O GLN B 40 -10.853 -2.659 -5.517 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.902 -5.235 -5.138 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.240 -6.733 -5.055 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.058 -7.194 -6.272 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -13.933 -6.491 -6.743 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.814 -8.364 -6.793 1.00 0.00 N ATOM 0 H GLN B 40 -9.917 -6.481 -6.049 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.907 -4.632 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.261 -4.969 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.821 -4.658 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.319 -7.312 -4.994 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.802 -6.930 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.081 -8.955 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.356 -8.689 -7.594 1.00 0.00 H new ATOM 1572 N SER B 41 -9.108 -3.467 -6.607 1.00 0.00 N ATOM 1573 CA SER B 41 -8.260 -2.256 -6.298 1.00 0.00 C ATOM 1574 C SER B 41 -8.899 -0.963 -6.821 1.00 0.00 C ATOM 1575 O SER B 41 -8.894 0.045 -6.135 1.00 0.00 O ATOM 1576 CB SER B 41 -6.907 -2.483 -6.960 1.00 0.00 C ATOM 1577 OG SER B 41 -7.050 -2.546 -8.376 1.00 0.00 O ATOM 0 H SER B 41 -8.642 -4.185 -7.161 1.00 0.00 H new ATOM 0 HA SER B 41 -8.161 -2.137 -5.219 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.225 -1.676 -6.693 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.466 -3.409 -6.591 1.00 0.00 H new ATOM 0 HG SER B 41 -7.190 -3.477 -8.650 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.485 -0.994 -8.011 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.169 0.230 -8.552 1.00 0.00 C ATOM 1585 C ALA B 42 -11.361 0.553 -7.639 1.00 0.00 C ATOM 1586 O ALA B 42 -11.569 1.689 -7.257 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.640 -0.140 -9.965 1.00 0.00 C ATOM 0 H ALA B 42 -9.515 -1.811 -8.621 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.519 1.105 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.148 0.713 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.779 -0.413 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.328 -0.984 -9.910 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.111 -0.473 -7.254 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.261 -0.283 -6.322 1.00 0.00 C ATOM 1595 C ASN B 43 -12.746 0.161 -4.938 1.00 0.00 C ATOM 1596 O ASN B 43 -13.370 0.968 -4.290 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.957 -1.654 -6.240 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.311 -1.516 -5.530 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.485 -2.010 -4.438 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.283 -0.863 -6.110 1.00 0.00 N ATOM 0 H ASN B 43 -11.963 -1.436 -7.556 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.950 0.488 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.102 -2.057 -7.242 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.325 -2.360 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.185 -0.770 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.140 -0.446 -7.030 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.597 -0.348 -4.499 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.021 0.056 -3.167 1.00 0.00 C ATOM 1609 C LEU B 44 -10.655 1.528 -3.198 1.00 0.00 C ATOM 1610 O LEU B 44 -11.027 2.287 -2.334 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.780 -0.816 -2.991 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.163 -2.053 -2.196 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.377 -3.265 -2.707 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.851 -1.784 -0.723 1.00 0.00 C ATOM 0 H LEU B 44 -11.038 -1.028 -5.014 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.722 -0.081 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.377 -1.101 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.998 -0.261 -2.473 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.225 -2.271 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.656 -4.148 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.606 -3.429 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.309 -3.081 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.117 -2.658 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.787 -1.578 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.426 -0.924 -0.380 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.969 1.925 -4.229 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.602 3.362 -4.413 1.00 0.00 C ATOM 1628 C LEU B 45 -10.873 4.215 -4.400 1.00 0.00 C ATOM 1629 O LEU B 45 -10.941 5.233 -3.736 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.957 3.440 -5.800 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.693 4.900 -6.130 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.446 5.339 -5.394 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.530 5.070 -7.636 1.00 0.00 C ATOM 0 H LEU B 45 -9.639 1.305 -4.969 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.937 3.721 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.026 2.874 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.613 2.996 -6.548 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.533 5.520 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.240 6.386 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.596 5.221 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.602 4.727 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -8.341 6.119 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -7.691 4.466 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -9.441 4.747 -8.139 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.881 3.775 -5.127 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.178 4.510 -5.175 1.00 0.00 C ATOM 1647 C ALA B 46 -13.777 4.557 -3.763 1.00 0.00 C ATOM 1648 O ALA B 46 -14.199 5.591 -3.287 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.066 3.655 -6.070 1.00 0.00 C ATOM 0 H ALA B 46 -11.852 2.927 -5.693 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.074 5.532 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.047 4.122 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.611 3.567 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.176 2.663 -5.632 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.769 3.416 -3.096 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.282 3.298 -1.698 1.00 0.00 C ATOM 1657 C GLU B 47 -13.474 4.209 -0.756 1.00 0.00 C ATOM 1658 O GLU B 47 -14.018 4.799 0.151 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.069 1.818 -1.336 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.183 0.954 -1.941 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.927 -0.521 -1.601 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -13.976 -1.081 -2.126 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -15.686 -1.065 -0.815 1.00 0.00 O ATOM 0 H GLU B 47 -13.416 2.541 -3.483 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.325 3.600 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.099 1.483 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -14.056 1.700 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -16.152 1.265 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.216 1.089 -3.022 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.179 4.328 -0.994 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.301 5.204 -0.150 1.00 0.00 C ATOM 1672 C ALA B 48 -11.672 6.678 -0.373 1.00 0.00 C ATOM 1673 O ALA B 48 -11.921 7.402 0.572 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.859 4.916 -0.627 1.00 0.00 C ATOM 0 H ALA B 48 -11.692 3.846 -1.750 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.412 5.005 0.916 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.158 5.522 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.631 3.860 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.770 5.162 -1.685 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.732 7.108 -1.622 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.106 8.535 -1.937 1.00 0.00 C ATOM 1682 C LYS B 49 -13.536 8.839 -1.460 1.00 0.00 C ATOM 1683 O LYS B 49 -13.765 9.838 -0.812 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.012 8.662 -3.468 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.551 8.521 -3.915 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.461 8.697 -5.433 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.031 8.395 -5.904 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.311 9.705 -5.879 1.00 0.00 N ATOM 0 H LYS B 49 -11.537 6.529 -2.439 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.447 9.242 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.623 7.894 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.407 9.626 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.933 9.267 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.165 7.543 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.166 8.030 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.738 9.715 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.548 7.670 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.031 7.968 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.355 9.583 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.833 10.399 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.243 10.045 -4.899 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.490 7.977 -1.762 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.911 8.204 -1.308 1.00 0.00 C ATOM 1704 C LYS B 50 -15.994 8.220 0.230 1.00 0.00 C ATOM 1705 O LYS B 50 -16.706 9.023 0.804 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.729 7.037 -1.882 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.847 7.187 -3.404 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.670 6.026 -3.970 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.719 6.121 -5.503 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.935 6.930 -5.821 1.00 0.00 N ATOM 0 H LYS B 50 -14.345 7.125 -2.304 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.291 9.165 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.250 6.089 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.721 7.019 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.321 8.137 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.856 7.199 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.229 5.075 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.681 6.052 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.820 6.596 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -17.779 5.131 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.025 7.031 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -19.778 6.451 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.849 7.871 -5.387 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.250 7.347 0.891 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.253 7.309 2.395 1.00 0.00 C ATOM 1726 C LEU B 51 -14.670 8.612 2.970 1.00 0.00 C ATOM 1727 O LEU B 51 -15.165 9.117 3.962 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.382 6.098 2.772 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.494 5.811 4.275 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.973 4.401 4.559 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.685 6.837 5.080 1.00 0.00 C ATOM 0 H LEU B 51 -14.641 6.659 0.448 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.261 7.219 2.800 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.697 5.223 2.203 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.342 6.292 2.508 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.539 5.884 4.574 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -14.051 4.193 5.626 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.567 3.675 4.003 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.930 4.329 4.250 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.776 6.618 6.144 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.636 6.784 4.787 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.067 7.838 4.882 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.627 9.158 2.354 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.008 10.438 2.854 1.00 0.00 C ATOM 1745 C ASN B 52 -14.088 11.533 3.010 1.00 0.00 C ATOM 1746 O ASN B 52 -14.012 12.364 3.895 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.915 10.777 1.792 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.237 11.961 0.840 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.350 12.176 0.419 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.262 12.716 0.431 1.00 0.00 N ATOM 0 H ASN B 52 -13.181 8.766 1.525 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.563 10.355 3.845 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.985 10.999 2.315 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.736 9.888 1.187 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.444 13.470 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.314 12.554 0.772 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.099 11.517 2.158 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.190 12.532 2.234 1.00 0.00 C ATOM 1759 C ASP B 53 -17.006 12.384 3.532 1.00 0.00 C ATOM 1760 O ASP B 53 -17.524 13.360 4.050 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.088 12.250 1.024 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.115 13.379 0.861 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.748 14.421 0.342 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.250 13.182 1.258 1.00 0.00 O ATOM 0 H ASP B 53 -15.207 10.833 1.409 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.785 13.544 2.231 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.482 12.165 0.122 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.600 11.297 1.155 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.131 11.170 4.050 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.922 10.946 5.307 1.00 0.00 C ATOM 1771 C ALA B 54 -17.264 11.655 6.505 1.00 0.00 C ATOM 1772 O ALA B 54 -17.946 12.155 7.385 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.924 9.428 5.495 1.00 0.00 C ATOM 0 H ALA B 54 -16.716 10.328 3.650 1.00 0.00 H new ATOM 0 HA ALA B 54 -18.931 11.352 5.239 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.483 9.174 6.395 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.392 8.955 4.632 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.898 9.072 5.592 1.00 0.00 H new ATOM 1779 N GLN B 55 -15.948 11.712 6.533 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.219 12.397 7.651 1.00 0.00 C ATOM 1781 C GLN B 55 -15.004 13.889 7.334 1.00 0.00 C ATOM 1782 O GLN B 55 -15.031 14.719 8.228 1.00 0.00 O ATOM 1783 CB GLN B 55 -13.884 11.650 7.743 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.085 10.342 8.515 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.890 9.423 8.280 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.293 8.928 9.215 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.505 9.182 7.059 1.00 0.00 N ATOM 0 H GLN B 55 -15.343 11.307 5.818 1.00 0.00 H new ATOM 0 HA GLN B 55 -15.772 12.371 8.590 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.502 11.440 6.744 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.141 12.271 8.244 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.194 10.549 9.580 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.003 9.853 8.190 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.007 9.598 6.274 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.702 8.577 6.888 1.00 0.00 H new ATOM 1796 N ALA B 56 -14.782 14.228 6.076 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.549 15.659 5.690 1.00 0.00 C ATOM 1798 C ALA B 56 -15.085 15.947 4.272 1.00 0.00 C ATOM 1799 O ALA B 56 -15.191 15.046 3.473 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.031 15.805 5.709 1.00 0.00 C ATOM 0 H ALA B 56 -14.753 13.567 5.300 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.058 16.352 6.360 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -12.760 16.825 5.438 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -12.657 15.584 6.708 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.590 15.110 4.994 1.00 0.00 H new