USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 Single : A 2 SER OG : rot -31:sc= 0.113 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.25 K(o=1.3,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.4) USER MOD Single : A 35 THR OG1 : rot 88:sc= 1.1 USER MOD Single : A 39 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.3!) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 1.23 (180deg=0.832) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.25 (180deg=-0.663) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 13:sc= 0.963 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= 2.49 (180deg=2.1) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.276 USER MOD Single : A 79 GLN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -171:sc= 1.13 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 30:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -8.975 9.881 0.588 1.00 0.00 N ATOM 20 CA SER A 2 -8.153 9.064 1.426 1.00 0.00 C ATOM 21 C SER A 2 -8.901 8.285 2.452 1.00 0.00 C ATOM 22 O SER A 2 -8.523 7.170 2.807 1.00 0.00 O ATOM 23 CB SER A 2 -7.079 9.895 2.150 1.00 0.00 C ATOM 24 OG SER A 2 -7.618 11.033 2.805 1.00 0.00 O ATOM 0 HA SER A 2 -7.696 8.355 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.571 9.267 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.327 10.217 1.429 1.00 0.00 H new ATOM 0 HG SER A 2 -8.403 11.352 2.313 1.00 0.00 H new ATOM 30 N GLN A 3 -10.038 8.813 2.940 1.00 0.00 N ATOM 31 CA GLN A 3 -10.906 8.115 3.836 1.00 0.00 C ATOM 32 C GLN A 3 -11.426 6.822 3.308 1.00 0.00 C ATOM 33 O GLN A 3 -11.489 5.812 4.006 1.00 0.00 O ATOM 34 CB GLN A 3 -12.040 9.046 4.297 1.00 0.00 C ATOM 35 CG GLN A 3 -12.883 8.510 5.455 1.00 0.00 C ATOM 36 CD GLN A 3 -13.867 9.545 5.985 1.00 0.00 C ATOM 37 OE1 GLN A 3 -13.861 9.914 7.159 1.00 0.00 O ATOM 38 NE2 GLN A 3 -14.744 10.061 5.083 1.00 0.00 N ATOM 0 H GLN A 3 -10.362 9.751 2.705 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.301 7.830 4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.608 10.002 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.697 9.242 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.431 7.628 5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.225 8.191 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.729 9.739 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.417 10.770 5.374 1.00 0.00 H new ATOM 47 N LEU A 4 -11.735 6.772 2.000 1.00 0.00 N ATOM 48 CA LEU A 4 -12.189 5.613 1.296 1.00 0.00 C ATOM 49 C LEU A 4 -11.143 4.552 1.256 1.00 0.00 C ATOM 50 O LEU A 4 -11.342 3.391 1.606 1.00 0.00 O ATOM 51 CB LEU A 4 -12.447 5.908 -0.190 1.00 0.00 C ATOM 52 CG LEU A 4 -13.112 4.741 -0.939 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.351 4.162 -0.233 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.530 5.255 -2.327 1.00 0.00 C ATOM 0 H LEU A 4 -11.663 7.592 1.397 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.090 5.306 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.081 6.791 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.501 6.148 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.384 3.931 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.759 3.344 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.068 3.790 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.105 4.942 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.006 4.449 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.232 6.081 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.649 5.600 -2.868 1.00 0.00 H new ATOM 66 N PHE A 5 -9.950 5.002 0.829 1.00 0.00 N ATOM 67 CA PHE A 5 -8.702 4.304 0.810 1.00 0.00 C ATOM 68 C PHE A 5 -8.418 3.672 2.129 1.00 0.00 C ATOM 69 O PHE A 5 -7.923 2.547 2.190 1.00 0.00 O ATOM 70 CB PHE A 5 -7.672 5.318 0.286 1.00 0.00 C ATOM 71 CG PHE A 5 -6.257 5.064 0.678 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.815 5.360 1.947 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.381 4.487 -0.211 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.561 4.989 2.368 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.131 4.087 0.197 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.732 4.329 1.491 1.00 0.00 C ATOM 0 H PHE A 5 -9.852 5.948 0.461 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.688 3.441 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.730 5.338 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.955 6.310 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.466 5.894 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.678 4.347 -1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.231 5.212 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.467 3.587 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.759 3.998 1.821 1.00 0.00 H new ATOM 86 N GLU A 6 -8.781 4.323 3.249 1.00 0.00 N ATOM 87 CA GLU A 6 -8.532 3.826 4.566 1.00 0.00 C ATOM 88 C GLU A 6 -9.531 2.817 5.015 1.00 0.00 C ATOM 89 O GLU A 6 -9.198 1.942 5.814 1.00 0.00 O ATOM 90 CB GLU A 6 -8.379 4.941 5.614 1.00 0.00 C ATOM 91 CG GLU A 6 -7.013 5.620 5.504 1.00 0.00 C ATOM 92 CD GLU A 6 -6.710 6.669 6.565 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.592 7.031 7.389 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.544 7.145 6.604 1.00 0.00 O ATOM 0 H GLU A 6 -9.262 5.222 3.237 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.571 3.317 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.168 5.681 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.501 4.524 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.241 4.852 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.939 6.090 4.523 1.00 0.00 H new ATOM 101 N GLU A 7 -10.778 2.822 4.509 1.00 0.00 N ATOM 102 CA GLU A 7 -11.668 1.719 4.687 1.00 0.00 C ATOM 103 C GLU A 7 -11.162 0.495 4.003 1.00 0.00 C ATOM 104 O GLU A 7 -11.012 -0.578 4.587 1.00 0.00 O ATOM 105 CB GLU A 7 -13.086 1.929 4.129 1.00 0.00 C ATOM 106 CG GLU A 7 -13.701 3.272 4.528 1.00 0.00 C ATOM 107 CD GLU A 7 -15.210 3.353 4.345 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.846 2.442 3.753 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.796 4.358 4.829 1.00 0.00 O ATOM 0 H GLU A 7 -11.171 3.596 3.973 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.715 1.619 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.055 1.860 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.730 1.123 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.463 3.470 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.233 4.061 3.939 1.00 0.00 H new ATOM 116 N LYS A 8 -10.866 0.675 2.704 1.00 0.00 N ATOM 117 CA LYS A 8 -10.517 -0.334 1.752 1.00 0.00 C ATOM 118 C LYS A 8 -9.194 -0.959 2.030 1.00 0.00 C ATOM 119 O LYS A 8 -9.042 -2.178 1.962 1.00 0.00 O ATOM 120 CB LYS A 8 -10.564 0.286 0.345 1.00 0.00 C ATOM 121 CG LYS A 8 -11.765 -0.152 -0.498 1.00 0.00 C ATOM 122 CD LYS A 8 -13.149 0.145 0.080 1.00 0.00 C ATOM 123 CE LYS A 8 -14.259 -0.323 -0.865 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.565 -0.334 -0.169 1.00 0.00 N ATOM 0 H LYS A 8 -10.872 1.605 2.286 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.240 -1.146 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.578 1.372 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.648 0.024 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.692 0.330 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.689 -1.226 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.257 -0.351 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.248 1.216 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.308 0.336 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.030 -1.322 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.306 -0.654 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.520 -0.981 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.789 0.625 0.164 1.00 0.00 H new ATOM 138 N ALA A 9 -8.168 -0.159 2.374 1.00 0.00 N ATOM 139 CA ALA A 9 -6.822 -0.625 2.492 1.00 0.00 C ATOM 140 C ALA A 9 -6.610 -1.545 3.645 1.00 0.00 C ATOM 141 O ALA A 9 -6.008 -2.615 3.574 1.00 0.00 O ATOM 142 CB ALA A 9 -5.838 0.537 2.704 1.00 0.00 C ATOM 0 H ALA A 9 -8.277 0.835 2.575 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.642 -1.150 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.825 0.145 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.893 1.219 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.098 1.072 3.617 1.00 0.00 H new ATOM 148 N LYS A 10 -7.162 -1.107 4.790 1.00 0.00 N ATOM 149 CA LYS A 10 -7.148 -1.821 6.029 1.00 0.00 C ATOM 150 C LYS A 10 -7.935 -3.086 5.990 1.00 0.00 C ATOM 151 O LYS A 10 -7.731 -3.951 6.840 1.00 0.00 O ATOM 152 CB LYS A 10 -7.672 -0.852 7.104 1.00 0.00 C ATOM 153 CG LYS A 10 -6.588 0.031 7.725 1.00 0.00 C ATOM 154 CD LYS A 10 -5.647 -0.745 8.648 1.00 0.00 C ATOM 155 CE LYS A 10 -4.499 0.096 9.213 1.00 0.00 C ATOM 156 NZ LYS A 10 -3.598 -0.742 10.035 1.00 0.00 N ATOM 0 H LYS A 10 -7.642 -0.210 4.855 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.132 -2.145 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.437 -0.214 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.154 -1.428 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.006 0.497 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.060 0.836 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.224 -1.157 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.230 -1.589 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.938 0.551 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.900 0.910 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.825 -0.156 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.133 -1.156 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.201 -1.504 9.449 1.00 0.00 H new ATOM 170 N ALA A 11 -8.824 -3.275 4.997 1.00 0.00 N ATOM 171 CA ALA A 11 -9.396 -4.553 4.703 1.00 0.00 C ATOM 172 C ALA A 11 -8.443 -5.416 3.950 1.00 0.00 C ATOM 173 O ALA A 11 -8.119 -6.515 4.397 1.00 0.00 O ATOM 174 CB ALA A 11 -10.698 -4.404 3.899 1.00 0.00 C ATOM 0 H ALA A 11 -9.151 -2.526 4.387 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.619 -5.030 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.111 -5.391 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.418 -3.824 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.489 -3.891 2.960 1.00 0.00 H new ATOM 180 N VAL A 12 -7.911 -4.980 2.794 1.00 0.00 N ATOM 181 CA VAL A 12 -7.132 -5.801 1.919 1.00 0.00 C ATOM 182 C VAL A 12 -5.838 -6.253 2.503 1.00 0.00 C ATOM 183 O VAL A 12 -5.350 -7.337 2.181 1.00 0.00 O ATOM 184 CB VAL A 12 -6.934 -5.207 0.556 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.317 -5.123 -0.111 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.210 -3.850 0.574 1.00 0.00 C ATOM 0 H VAL A 12 -8.027 -4.024 2.457 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.743 -6.694 1.792 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.269 -5.849 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.215 -4.694 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.745 -6.122 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.973 -4.492 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.102 -3.482 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.790 -3.136 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.224 -3.970 1.023 1.00 0.00 H new ATOM 196 N ASN A 13 -5.280 -5.495 3.463 1.00 0.00 N ATOM 197 CA ASN A 13 -4.098 -5.878 4.171 1.00 0.00 C ATOM 198 C ASN A 13 -4.298 -6.979 5.155 1.00 0.00 C ATOM 199 O ASN A 13 -3.328 -7.541 5.663 1.00 0.00 O ATOM 200 CB ASN A 13 -3.499 -4.668 4.908 1.00 0.00 C ATOM 201 CG ASN A 13 -2.636 -3.833 3.973 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.424 -4.035 3.906 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.244 -2.871 3.228 1.00 0.00 N ATOM 0 H ASN A 13 -5.659 -4.594 3.754 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.419 -6.253 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.301 -4.052 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.900 -5.011 5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.693 -2.294 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.251 -2.727 3.305 1.00 0.00 H new ATOM 210 N GLU A 14 -5.554 -7.354 5.457 1.00 0.00 N ATOM 211 CA GLU A 14 -5.851 -8.364 6.424 1.00 0.00 C ATOM 212 C GLU A 14 -7.086 -9.133 6.102 1.00 0.00 C ATOM 213 O GLU A 14 -7.768 -9.692 6.959 1.00 0.00 O ATOM 214 CB GLU A 14 -5.900 -7.806 7.856 1.00 0.00 C ATOM 215 CG GLU A 14 -7.113 -6.942 8.209 1.00 0.00 C ATOM 216 CD GLU A 14 -7.019 -6.454 9.647 1.00 0.00 C ATOM 217 OE1 GLU A 14 -6.200 -5.543 9.944 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.760 -7.008 10.503 1.00 0.00 O ATOM 0 H GLU A 14 -6.381 -6.947 5.020 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.020 -9.068 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.864 -8.645 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.999 -7.215 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.169 -6.089 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.029 -7.517 8.073 1.00 0.00 H new ATOM 225 N LEU A 15 -7.405 -9.260 4.801 1.00 0.00 N ATOM 226 CA LEU A 15 -8.460 -10.072 4.282 1.00 0.00 C ATOM 227 C LEU A 15 -8.053 -11.503 4.371 1.00 0.00 C ATOM 228 O LEU A 15 -6.872 -11.755 4.610 1.00 0.00 O ATOM 229 CB LEU A 15 -8.735 -9.566 2.856 1.00 0.00 C ATOM 230 CG LEU A 15 -10.182 -9.210 2.477 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.943 -8.395 3.537 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.199 -8.444 1.144 1.00 0.00 C ATOM 0 H LEU A 15 -6.895 -8.766 4.069 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.390 -10.002 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.121 -8.680 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.386 -10.328 2.159 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.703 -10.164 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.953 -8.191 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.992 -8.963 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.424 -7.453 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.227 -8.195 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.617 -7.528 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.765 -9.066 0.361 1.00 0.00 H new ATOM 244 N PRO A 16 -8.863 -12.512 4.248 1.00 0.00 N ATOM 245 CA PRO A 16 -8.403 -13.867 4.318 1.00 0.00 C ATOM 246 C PRO A 16 -7.684 -14.250 3.070 1.00 0.00 C ATOM 247 O PRO A 16 -6.789 -15.092 3.110 1.00 0.00 O ATOM 248 CB PRO A 16 -9.680 -14.686 4.489 1.00 0.00 C ATOM 249 CG PRO A 16 -10.797 -13.857 3.833 1.00 0.00 C ATOM 250 CD PRO A 16 -10.265 -12.416 3.868 1.00 0.00 C ATOM 0 HA PRO A 16 -7.694 -14.027 5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.586 -15.662 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.892 -14.865 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.990 -14.186 2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.735 -13.949 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.373 -11.937 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.822 -11.812 4.584 1.00 0.00 H new ATOM 258 N THR A 17 -8.061 -13.626 1.939 1.00 0.00 N ATOM 259 CA THR A 17 -7.517 -13.838 0.635 1.00 0.00 C ATOM 260 C THR A 17 -6.626 -12.663 0.420 1.00 0.00 C ATOM 261 O THR A 17 -6.978 -11.652 -0.186 1.00 0.00 O ATOM 262 CB THR A 17 -8.613 -13.942 -0.384 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.490 -15.005 -0.042 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.074 -14.303 -1.778 1.00 0.00 C ATOM 0 H THR A 17 -8.800 -12.923 1.938 1.00 0.00 H new ATOM 0 HA THR A 17 -6.964 -14.772 0.539 1.00 0.00 H new ATOM 0 HB THR A 17 -9.106 -12.970 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.205 -15.067 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.903 -14.367 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.375 -13.534 -2.108 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.561 -15.264 -1.732 1.00 0.00 H new ATOM 272 N LYS A 18 -5.428 -12.725 1.027 1.00 0.00 N ATOM 273 CA LYS A 18 -4.458 -11.675 1.016 1.00 0.00 C ATOM 274 C LYS A 18 -3.902 -11.364 -0.331 1.00 0.00 C ATOM 275 O LYS A 18 -3.890 -12.263 -1.171 1.00 0.00 O ATOM 276 CB LYS A 18 -3.309 -11.975 1.992 1.00 0.00 C ATOM 277 CG LYS A 18 -3.757 -12.213 3.436 1.00 0.00 C ATOM 278 CD LYS A 18 -2.667 -11.938 4.472 1.00 0.00 C ATOM 279 CE LYS A 18 -1.276 -12.515 4.203 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.289 -13.995 4.201 1.00 0.00 N ATOM 0 H LYS A 18 -5.121 -13.545 1.550 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.002 -10.787 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.770 -12.855 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.606 -11.142 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.617 -11.578 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.090 -13.246 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.568 -10.858 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.011 -12.322 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.911 -12.153 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.581 -12.158 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.329 -14.350 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.613 -14.341 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.934 -14.336 3.459 1.00 0.00 H new ATOM 294 N PRO A 19 -3.443 -10.189 -0.648 1.00 0.00 N ATOM 295 CA PRO A 19 -3.277 -9.757 -2.006 1.00 0.00 C ATOM 296 C PRO A 19 -2.216 -10.491 -2.750 1.00 0.00 C ATOM 297 O PRO A 19 -1.265 -10.964 -2.130 1.00 0.00 O ATOM 298 CB PRO A 19 -2.971 -8.264 -1.911 1.00 0.00 C ATOM 299 CG PRO A 19 -3.538 -7.834 -0.549 1.00 0.00 C ATOM 300 CD PRO A 19 -3.243 -9.091 0.285 1.00 0.00 C ATOM 0 HA PRO A 19 -4.179 -9.965 -2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.899 -8.075 -1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.438 -7.712 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.041 -6.948 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.603 -7.608 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.226 -9.080 0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.913 -9.168 1.141 1.00 0.00 H new ATOM 308 N SER A 20 -2.328 -10.655 -4.081 1.00 0.00 N ATOM 309 CA SER A 20 -1.465 -11.497 -4.850 1.00 0.00 C ATOM 310 C SER A 20 -0.160 -10.867 -5.196 1.00 0.00 C ATOM 311 O SER A 20 0.060 -9.688 -4.920 1.00 0.00 O ATOM 312 CB SER A 20 -2.145 -11.948 -6.154 1.00 0.00 C ATOM 313 OG SER A 20 -1.550 -13.108 -6.718 1.00 0.00 O ATOM 0 H SER A 20 -3.042 -10.187 -4.639 1.00 0.00 H new ATOM 0 HA SER A 20 -1.263 -12.352 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.199 -12.146 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.103 -11.135 -6.879 1.00 0.00 H new ATOM 0 HG SER A 20 -2.022 -13.350 -7.542 1.00 0.00 H new ATOM 319 N THR A 21 0.779 -11.598 -5.821 1.00 0.00 N ATOM 320 CA THR A 21 2.138 -11.212 -6.044 1.00 0.00 C ATOM 321 C THR A 21 2.305 -9.941 -6.803 1.00 0.00 C ATOM 322 O THR A 21 2.943 -9.002 -6.330 1.00 0.00 O ATOM 323 CB THR A 21 2.953 -12.265 -6.734 1.00 0.00 C ATOM 324 OG1 THR A 21 2.966 -13.457 -5.961 1.00 0.00 O ATOM 325 CG2 THR A 21 4.431 -11.866 -6.885 1.00 0.00 C ATOM 0 H THR A 21 0.574 -12.524 -6.197 1.00 0.00 H new ATOM 0 HA THR A 21 2.506 -11.064 -5.029 1.00 0.00 H new ATOM 0 HB THR A 21 2.492 -12.397 -7.713 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.499 -14.139 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.974 -12.665 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.503 -10.950 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.866 -11.700 -5.899 1.00 0.00 H new ATOM 333 N ASP A 22 1.713 -9.856 -8.008 1.00 0.00 N ATOM 334 CA ASP A 22 1.760 -8.739 -8.900 1.00 0.00 C ATOM 335 C ASP A 22 1.033 -7.548 -8.380 1.00 0.00 C ATOM 336 O ASP A 22 1.404 -6.402 -8.627 1.00 0.00 O ATOM 337 CB ASP A 22 1.213 -9.162 -10.275 1.00 0.00 C ATOM 338 CG ASP A 22 -0.141 -9.854 -10.204 1.00 0.00 C ATOM 339 OD1 ASP A 22 -0.182 -11.045 -9.795 1.00 0.00 O ATOM 340 OD2 ASP A 22 -1.166 -9.233 -10.594 1.00 0.00 O ATOM 0 H ASP A 22 1.161 -10.626 -8.385 1.00 0.00 H new ATOM 0 HA ASP A 22 2.802 -8.435 -8.995 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.128 -8.280 -10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.929 -9.831 -10.752 1.00 0.00 H new ATOM 345 N GLU A 23 -0.027 -7.806 -7.596 1.00 0.00 N ATOM 346 CA GLU A 23 -0.867 -6.840 -6.958 1.00 0.00 C ATOM 347 C GLU A 23 -0.142 -6.180 -5.835 1.00 0.00 C ATOM 348 O GLU A 23 0.072 -4.969 -5.869 1.00 0.00 O ATOM 349 CB GLU A 23 -2.147 -7.519 -6.441 1.00 0.00 C ATOM 350 CG GLU A 23 -3.004 -8.043 -7.595 1.00 0.00 C ATOM 351 CD GLU A 23 -4.077 -9.031 -7.161 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.108 -9.453 -5.974 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.878 -9.420 -8.053 1.00 0.00 O ATOM 0 H GLU A 23 -0.319 -8.762 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.141 -6.077 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.882 -8.343 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.725 -6.808 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.480 -7.199 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.356 -8.523 -8.328 1.00 0.00 H new ATOM 360 N LEU A 24 0.312 -6.940 -4.823 1.00 0.00 N ATOM 361 CA LEU A 24 0.974 -6.508 -3.631 1.00 0.00 C ATOM 362 C LEU A 24 2.117 -5.566 -3.792 1.00 0.00 C ATOM 363 O LEU A 24 2.380 -4.746 -2.914 1.00 0.00 O ATOM 364 CB LEU A 24 1.445 -7.783 -2.912 1.00 0.00 C ATOM 365 CG LEU A 24 1.867 -7.647 -1.440 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.751 -7.041 -0.572 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.226 -9.048 -0.918 1.00 0.00 C ATOM 0 H LEU A 24 0.204 -7.954 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 24 0.251 -5.917 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.641 -8.517 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.288 -8.192 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 24 2.721 -6.972 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.094 -6.964 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.498 -6.049 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.131 -7.680 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.530 -8.980 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.357 -9.701 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.046 -9.457 -1.508 1.00 0.00 H new ATOM 379 N LEU A 25 2.819 -5.587 -4.939 1.00 0.00 N ATOM 380 CA LEU A 25 3.763 -4.585 -5.326 1.00 0.00 C ATOM 381 C LEU A 25 3.182 -3.222 -5.480 1.00 0.00 C ATOM 382 O LEU A 25 3.578 -2.265 -4.818 1.00 0.00 O ATOM 383 CB LEU A 25 4.382 -4.982 -6.677 1.00 0.00 C ATOM 384 CG LEU A 25 5.285 -6.226 -6.620 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.829 -6.510 -8.030 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.423 -6.054 -5.599 1.00 0.00 C ATOM 0 H LEU A 25 2.725 -6.335 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 25 4.496 -4.535 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.579 -5.163 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.964 -4.142 -7.057 1.00 0.00 H new ATOM 0 HG LEU A 25 4.697 -7.080 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.471 -7.390 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.997 -6.689 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.405 -5.652 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.040 -6.953 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.036 -5.197 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.001 -5.890 -4.608 1.00 0.00 H new ATOM 398 N GLU A 26 2.182 -3.090 -6.370 1.00 0.00 N ATOM 399 CA GLU A 26 1.527 -1.848 -6.642 1.00 0.00 C ATOM 400 C GLU A 26 0.598 -1.448 -5.548 1.00 0.00 C ATOM 401 O GLU A 26 0.476 -0.279 -5.187 1.00 0.00 O ATOM 402 CB GLU A 26 0.813 -1.902 -8.003 1.00 0.00 C ATOM 403 CG GLU A 26 0.272 -0.546 -8.461 1.00 0.00 C ATOM 404 CD GLU A 26 0.453 -0.278 -9.948 1.00 0.00 C ATOM 405 OE1 GLU A 26 1.621 -0.111 -10.388 1.00 0.00 O ATOM 406 OE2 GLU A 26 -0.564 -0.160 -10.683 1.00 0.00 O ATOM 0 H GLU A 26 1.818 -3.871 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 26 2.294 -1.075 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.507 -2.280 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.012 -2.612 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.789 -0.489 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.771 0.242 -7.897 1.00 0.00 H new ATOM 413 N LEU A 27 -0.063 -2.432 -4.914 1.00 0.00 N ATOM 414 CA LEU A 27 -0.939 -2.262 -3.796 1.00 0.00 C ATOM 415 C LEU A 27 -0.212 -1.825 -2.570 1.00 0.00 C ATOM 416 O LEU A 27 -0.757 -1.036 -1.799 1.00 0.00 O ATOM 417 CB LEU A 27 -1.787 -3.523 -3.563 1.00 0.00 C ATOM 418 CG LEU A 27 -3.054 -3.667 -4.423 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.138 -2.669 -3.978 1.00 0.00 C ATOM 420 CD2 LEU A 27 -2.855 -3.541 -5.943 1.00 0.00 C ATOM 0 H LEU A 27 0.020 -3.408 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.627 -1.452 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.156 -4.395 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.082 -3.546 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.365 -4.697 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.023 -2.791 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.399 -2.856 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.760 -1.652 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.814 -3.659 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.442 -2.560 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.168 -4.315 -6.285 1.00 0.00 H new ATOM 432 N TYR A 28 1.050 -2.232 -2.348 1.00 0.00 N ATOM 433 CA TYR A 28 1.937 -1.641 -1.395 1.00 0.00 C ATOM 434 C TYR A 28 2.179 -0.206 -1.714 1.00 0.00 C ATOM 435 O TYR A 28 1.958 0.639 -0.848 1.00 0.00 O ATOM 436 CB TYR A 28 3.278 -2.389 -1.295 1.00 0.00 C ATOM 437 CG TYR A 28 4.395 -1.810 -0.496 1.00 0.00 C ATOM 438 CD1 TYR A 28 5.123 -0.734 -0.947 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.848 -2.467 0.623 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.270 -0.313 -0.316 1.00 0.00 C ATOM 441 CE2 TYR A 28 6.028 -2.103 1.229 1.00 0.00 C ATOM 442 CZ TYR A 28 6.743 -1.026 0.760 1.00 0.00 C ATOM 443 OH TYR A 28 7.990 -0.709 1.340 1.00 0.00 O ATOM 0 H TYR A 28 1.472 -3.009 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 28 1.445 -1.717 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.068 -3.379 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.646 -2.532 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.783 -0.203 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.269 -3.281 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.793 0.567 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.394 -2.665 2.076 1.00 0.00 H new ATOM 0 HH TYR A 28 8.165 -1.314 2.091 1.00 0.00 H new ATOM 453 N ALA A 29 2.637 0.119 -2.937 1.00 0.00 N ATOM 454 CA ALA A 29 3.005 1.439 -3.342 1.00 0.00 C ATOM 455 C ALA A 29 1.946 2.445 -3.046 1.00 0.00 C ATOM 456 O ALA A 29 2.165 3.400 -2.303 1.00 0.00 O ATOM 457 CB ALA A 29 3.387 1.446 -4.832 1.00 0.00 C ATOM 0 H ALA A 29 2.756 -0.572 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 29 3.874 1.734 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.666 2.456 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.229 0.774 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.537 1.113 -5.427 1.00 0.00 H new ATOM 463 N LEU A 30 0.711 2.204 -3.522 1.00 0.00 N ATOM 464 CA LEU A 30 -0.413 3.033 -3.216 1.00 0.00 C ATOM 465 C LEU A 30 -0.814 3.099 -1.782 1.00 0.00 C ATOM 466 O LEU A 30 -1.144 4.168 -1.271 1.00 0.00 O ATOM 467 CB LEU A 30 -1.640 2.594 -4.032 1.00 0.00 C ATOM 468 CG LEU A 30 -1.607 3.146 -5.467 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.071 2.142 -6.503 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.036 3.584 -5.829 1.00 0.00 C ATOM 0 H LEU A 30 0.489 1.417 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.071 4.033 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.683 1.505 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.547 2.935 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.911 3.985 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.077 2.601 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.052 1.858 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.704 1.255 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.049 3.982 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.706 2.727 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.368 4.355 -5.133 1.00 0.00 H new ATOM 482 N TYR A 31 -0.799 1.965 -1.059 1.00 0.00 N ATOM 483 CA TYR A 31 -1.100 1.937 0.338 1.00 0.00 C ATOM 484 C TYR A 31 -0.144 2.755 1.135 1.00 0.00 C ATOM 485 O TYR A 31 -0.524 3.657 1.881 1.00 0.00 O ATOM 486 CB TYR A 31 -1.194 0.495 0.864 1.00 0.00 C ATOM 487 CG TYR A 31 -1.506 0.479 2.321 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.597 1.142 2.832 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.591 -0.084 3.178 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.830 1.157 4.188 1.00 0.00 C ATOM 491 CE2 TYR A 31 -0.802 -0.038 4.536 1.00 0.00 C ATOM 492 CZ TYR A 31 -1.938 0.550 5.039 1.00 0.00 C ATOM 493 OH TYR A 31 -2.185 0.580 6.429 1.00 0.00 O ATOM 0 H TYR A 31 -0.574 1.051 -1.452 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.081 2.395 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.966 -0.046 0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.253 -0.024 0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.275 1.654 2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.294 -0.563 2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.710 1.644 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.073 -0.465 5.209 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.466 0.108 6.899 1.00 0.00 H new ATOM 503 N LYS A 32 1.174 2.523 0.995 1.00 0.00 N ATOM 504 CA LYS A 32 2.219 3.336 1.534 1.00 0.00 C ATOM 505 C LYS A 32 2.092 4.768 1.142 1.00 0.00 C ATOM 506 O LYS A 32 2.208 5.642 2.002 1.00 0.00 O ATOM 507 CB LYS A 32 3.593 2.734 1.196 1.00 0.00 C ATOM 508 CG LYS A 32 3.818 1.336 1.774 1.00 0.00 C ATOM 509 CD LYS A 32 3.721 1.207 3.296 1.00 0.00 C ATOM 510 CE LYS A 32 4.491 2.314 4.018 1.00 0.00 C ATOM 511 NZ LYS A 32 4.773 1.971 5.430 1.00 0.00 N ATOM 0 H LYS A 32 1.530 1.721 0.475 1.00 0.00 H new ATOM 0 HA LYS A 32 2.121 3.335 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.703 2.690 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.372 3.400 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.090 0.660 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.805 0.992 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.674 1.240 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.110 0.236 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.430 2.500 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.916 3.239 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.296 2.750 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.877 1.819 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.344 1.103 5.469 1.00 0.00 H new ATOM 525 N GLN A 33 1.743 5.067 -0.121 1.00 0.00 N ATOM 526 CA GLN A 33 1.559 6.396 -0.620 1.00 0.00 C ATOM 527 C GLN A 33 0.581 7.200 0.165 1.00 0.00 C ATOM 528 O GLN A 33 0.928 8.240 0.723 1.00 0.00 O ATOM 529 CB GLN A 33 1.120 6.413 -2.094 1.00 0.00 C ATOM 530 CG GLN A 33 2.233 6.594 -3.128 1.00 0.00 C ATOM 531 CD GLN A 33 2.192 5.661 -4.329 1.00 0.00 C ATOM 532 OE1 GLN A 33 3.139 4.945 -4.652 1.00 0.00 O ATOM 533 NE2 GLN A 33 1.064 5.702 -5.088 1.00 0.00 N ATOM 0 H GLN A 33 1.581 4.350 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 33 2.543 6.853 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.602 5.478 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.395 7.216 -2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.200 7.621 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.192 6.464 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.285 6.299 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.998 5.136 -5.934 1.00 0.00 H new ATOM 542 N ALA A 34 -0.692 6.777 0.260 1.00 0.00 N ATOM 543 CA ALA A 34 -1.691 7.564 0.915 1.00 0.00 C ATOM 544 C ALA A 34 -1.792 7.279 2.375 1.00 0.00 C ATOM 545 O ALA A 34 -2.460 8.018 3.096 1.00 0.00 O ATOM 546 CB ALA A 34 -3.053 7.494 0.204 1.00 0.00 C ATOM 0 H ALA A 34 -1.030 5.891 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.356 8.598 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.776 8.108 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.950 7.863 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.400 6.461 0.183 1.00 0.00 H new ATOM 552 N THR A 35 -1.085 6.266 2.905 1.00 0.00 N ATOM 553 CA THR A 35 -0.918 6.120 4.317 1.00 0.00 C ATOM 554 C THR A 35 -0.067 7.205 4.881 1.00 0.00 C ATOM 555 O THR A 35 -0.541 8.046 5.643 1.00 0.00 O ATOM 556 CB THR A 35 -0.350 4.788 4.709 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.317 3.785 4.437 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.082 4.692 6.221 1.00 0.00 C ATOM 0 H THR A 35 -0.626 5.543 2.351 1.00 0.00 H new ATOM 0 HA THR A 35 -1.922 6.189 4.736 1.00 0.00 H new ATOM 0 HB THR A 35 0.579 4.663 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.216 3.475 3.513 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.328 3.710 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.631 5.463 6.514 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.015 4.835 6.766 1.00 0.00 H new ATOM 566 N VAL A 36 1.233 7.240 4.539 1.00 0.00 N ATOM 567 CA VAL A 36 2.146 8.191 5.094 1.00 0.00 C ATOM 568 C VAL A 36 2.196 9.484 4.353 1.00 0.00 C ATOM 569 O VAL A 36 2.507 10.529 4.921 1.00 0.00 O ATOM 570 CB VAL A 36 3.522 7.639 5.316 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.537 6.823 6.622 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.954 6.735 4.149 1.00 0.00 C ATOM 0 H VAL A 36 1.657 6.599 3.868 1.00 0.00 H new ATOM 0 HA VAL A 36 1.729 8.412 6.076 1.00 0.00 H new ATOM 0 HB VAL A 36 4.220 8.473 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.536 6.420 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.263 7.468 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.822 6.003 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.956 6.350 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.257 5.902 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.956 7.311 3.224 1.00 0.00 H new ATOM 582 N GLY A 37 1.897 9.493 3.041 1.00 0.00 N ATOM 583 CA GLY A 37 1.739 10.682 2.263 1.00 0.00 C ATOM 584 C GLY A 37 2.962 11.154 1.555 1.00 0.00 C ATOM 585 O GLY A 37 2.859 11.962 0.633 1.00 0.00 O ATOM 0 H GLY A 37 1.760 8.638 2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.956 10.510 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.389 11.480 2.918 1.00 0.00 H new ATOM 589 N ASP A 38 4.152 10.682 1.969 1.00 0.00 N ATOM 590 CA ASP A 38 5.417 11.026 1.398 1.00 0.00 C ATOM 591 C ASP A 38 6.175 9.751 1.250 1.00 0.00 C ATOM 592 O ASP A 38 5.824 8.755 1.880 1.00 0.00 O ATOM 593 CB ASP A 38 6.221 11.916 2.360 1.00 0.00 C ATOM 594 CG ASP A 38 5.526 13.236 2.666 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.557 14.150 1.800 1.00 0.00 O ATOM 596 OD2 ASP A 38 4.994 13.403 3.795 1.00 0.00 O ATOM 0 H ASP A 38 4.235 10.025 2.744 1.00 0.00 H new ATOM 0 HA ASP A 38 5.268 11.552 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.390 11.376 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.200 12.119 1.927 1.00 0.00 H new ATOM 601 N ASN A 39 7.286 9.735 0.493 1.00 0.00 N ATOM 602 CA ASN A 39 8.379 8.842 0.722 1.00 0.00 C ATOM 603 C ASN A 39 8.979 8.905 2.085 1.00 0.00 C ATOM 604 O ASN A 39 9.950 9.610 2.353 1.00 0.00 O ATOM 605 CB ASN A 39 9.479 8.945 -0.348 1.00 0.00 C ATOM 606 CG ASN A 39 10.073 10.332 -0.547 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.455 11.378 -0.352 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.343 10.374 -1.033 1.00 0.00 N ATOM 0 H ASN A 39 7.428 10.360 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 39 7.907 7.862 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.284 8.259 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.069 8.605 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.782 11.272 -1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.856 9.507 -1.195 1.00 0.00 H new ATOM 615 N ASP A 40 8.385 8.152 3.028 1.00 0.00 N ATOM 616 CA ASP A 40 8.604 8.221 4.440 1.00 0.00 C ATOM 617 C ASP A 40 9.868 7.562 4.878 1.00 0.00 C ATOM 618 O ASP A 40 10.799 8.226 5.329 1.00 0.00 O ATOM 619 CB ASP A 40 7.345 7.627 5.091 1.00 0.00 C ATOM 620 CG ASP A 40 7.327 7.639 6.613 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.371 8.738 7.228 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.250 6.528 7.203 1.00 0.00 O ATOM 0 H ASP A 40 7.698 7.439 2.782 1.00 0.00 H new ATOM 0 HA ASP A 40 8.751 9.253 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.476 8.178 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.233 6.597 4.752 1.00 0.00 H new ATOM 627 N LYS A 41 9.963 6.226 4.763 1.00 0.00 N ATOM 628 CA LYS A 41 11.148 5.474 5.039 1.00 0.00 C ATOM 629 C LYS A 41 11.933 5.423 3.773 1.00 0.00 C ATOM 630 O LYS A 41 11.367 5.600 2.696 1.00 0.00 O ATOM 631 CB LYS A 41 10.802 4.031 5.443 1.00 0.00 C ATOM 632 CG LYS A 41 9.939 3.898 6.700 1.00 0.00 C ATOM 633 CD LYS A 41 10.649 4.339 7.982 1.00 0.00 C ATOM 634 CE LYS A 41 10.389 5.784 8.415 1.00 0.00 C ATOM 635 NZ LYS A 41 9.056 5.921 9.044 1.00 0.00 N ATOM 0 H LYS A 41 9.180 5.644 4.465 1.00 0.00 H new ATOM 0 HA LYS A 41 11.699 5.942 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.283 3.552 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.730 3.481 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.034 4.492 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.626 2.859 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.345 3.675 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.722 4.206 7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.160 6.101 9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.456 6.444 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.946 6.885 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.317 5.739 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.967 5.235 9.821 1.00 0.00 H new ATOM 649 N GLU A 42 13.252 5.175 3.870 1.00 0.00 N ATOM 650 CA GLU A 42 14.120 4.935 2.760 1.00 0.00 C ATOM 651 C GLU A 42 14.928 3.723 3.070 1.00 0.00 C ATOM 652 O GLU A 42 15.950 3.388 2.471 1.00 0.00 O ATOM 653 CB GLU A 42 14.958 6.206 2.542 1.00 0.00 C ATOM 654 CG GLU A 42 15.814 6.231 1.273 1.00 0.00 C ATOM 655 CD GLU A 42 16.654 7.496 1.181 1.00 0.00 C ATOM 656 OE1 GLU A 42 16.317 8.518 1.838 1.00 0.00 O ATOM 657 OE2 GLU A 42 17.658 7.495 0.420 1.00 0.00 O ATOM 0 H GLU A 42 13.736 5.140 4.767 1.00 0.00 H new ATOM 0 HA GLU A 42 13.590 4.736 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.285 7.063 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.614 6.338 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.468 5.359 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.168 6.159 0.398 1.00 0.00 H new ATOM 664 N LYS A 43 14.432 2.966 4.065 1.00 0.00 N ATOM 665 CA LYS A 43 15.017 1.764 4.575 1.00 0.00 C ATOM 666 C LYS A 43 14.027 0.661 4.432 1.00 0.00 C ATOM 667 O LYS A 43 13.154 0.529 5.288 1.00 0.00 O ATOM 668 CB LYS A 43 15.432 1.908 6.049 1.00 0.00 C ATOM 669 CG LYS A 43 16.864 2.412 6.245 1.00 0.00 C ATOM 670 CD LYS A 43 17.905 1.303 6.420 1.00 0.00 C ATOM 671 CE LYS A 43 18.036 0.331 5.247 1.00 0.00 C ATOM 672 NZ LYS A 43 19.065 -0.699 5.513 1.00 0.00 N ATOM 0 H LYS A 43 13.565 3.210 4.544 1.00 0.00 H new ATOM 0 HA LYS A 43 15.921 1.547 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.745 2.594 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.327 0.941 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 43 17.142 3.023 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.891 3.061 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.876 1.765 6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.656 0.733 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.076 -0.151 5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.295 0.882 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.130 -1.343 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.985 -0.239 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.804 -1.240 6.362 1.00 0.00 H new ATOM 878 N TRP A 55 9.338 -0.850 -2.518 1.00 0.00 N ATOM 879 CA TRP A 55 9.771 0.438 -2.070 1.00 0.00 C ATOM 880 C TRP A 55 10.111 1.353 -3.195 1.00 0.00 C ATOM 881 O TRP A 55 9.806 2.544 -3.157 1.00 0.00 O ATOM 882 CB TRP A 55 10.918 0.305 -1.053 1.00 0.00 C ATOM 883 CG TRP A 55 11.120 1.564 -0.243 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.458 1.974 0.878 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.849 2.708 -0.727 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.600 3.327 1.036 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.472 3.789 0.080 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.691 2.883 -1.791 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.946 5.045 -0.182 1.00 0.00 C ATOM 890 CZ3 TRP A 55 13.142 4.156 -2.050 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.796 5.219 -1.249 1.00 0.00 C ATOM 0 HA TRP A 55 8.929 0.905 -1.559 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.708 -0.527 -0.380 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.841 0.064 -1.580 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.904 1.327 1.542 1.00 0.00 H new ATOM 0 HE1 TRP A 55 10.136 3.896 1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.992 2.049 -2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.659 5.883 0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.783 4.325 -2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 55 13.196 6.200 -1.460 1.00 0.00 H new ATOM 902 N GLU A 56 10.706 0.856 -4.294 1.00 0.00 N ATOM 903 CA GLU A 56 11.027 1.678 -5.419 1.00 0.00 C ATOM 904 C GLU A 56 9.823 2.049 -6.214 1.00 0.00 C ATOM 905 O GLU A 56 9.715 3.157 -6.738 1.00 0.00 O ATOM 906 CB GLU A 56 12.087 1.012 -6.313 1.00 0.00 C ATOM 907 CG GLU A 56 12.643 1.957 -7.380 1.00 0.00 C ATOM 908 CD GLU A 56 13.689 1.265 -8.243 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.810 0.992 -7.737 1.00 0.00 O ATOM 910 OE2 GLU A 56 13.372 0.977 -9.428 1.00 0.00 O ATOM 0 H GLU A 56 10.967 -0.124 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 56 11.445 2.602 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.906 0.652 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.649 0.140 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.829 2.316 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.085 2.831 -6.900 1.00 0.00 H new ATOM 917 N ALA A 57 8.808 1.170 -6.280 1.00 0.00 N ATOM 918 CA ALA A 57 7.557 1.453 -6.913 1.00 0.00 C ATOM 919 C ALA A 57 6.785 2.520 -6.215 1.00 0.00 C ATOM 920 O ALA A 57 5.995 3.246 -6.816 1.00 0.00 O ATOM 921 CB ALA A 57 6.712 0.169 -6.975 1.00 0.00 C ATOM 0 H ALA A 57 8.859 0.233 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 57 7.779 1.818 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.758 0.384 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.245 -0.590 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.533 -0.198 -5.964 1.00 0.00 H new ATOM 927 N TRP A 58 7.049 2.667 -4.904 1.00 0.00 N ATOM 928 CA TRP A 58 6.498 3.626 -3.998 1.00 0.00 C ATOM 929 C TRP A 58 7.188 4.938 -4.154 1.00 0.00 C ATOM 930 O TRP A 58 6.567 5.985 -4.328 1.00 0.00 O ATOM 931 CB TRP A 58 6.606 3.080 -2.565 1.00 0.00 C ATOM 932 CG TRP A 58 6.051 3.980 -1.487 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.066 4.912 -1.640 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.485 4.071 -0.117 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.943 5.669 -0.505 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.804 5.160 0.439 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.364 3.327 0.621 1.00 0.00 C ATOM 938 CZ2 TRP A 58 6.013 5.502 1.747 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.491 3.631 1.956 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.822 4.697 2.511 1.00 0.00 C ATOM 0 H TRP A 58 7.714 2.052 -4.435 1.00 0.00 H new ATOM 0 HA TRP A 58 5.444 3.793 -4.220 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.087 2.123 -2.519 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.656 2.884 -2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.468 5.035 -2.531 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.322 6.469 -0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.937 2.530 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.553 6.384 2.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.128 3.022 2.580 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.935 4.904 3.565 1.00 0.00 H new ATOM 951 N GLU A 59 8.533 4.943 -4.148 1.00 0.00 N ATOM 952 CA GLU A 59 9.384 6.085 -4.273 1.00 0.00 C ATOM 953 C GLU A 59 9.277 6.785 -5.583 1.00 0.00 C ATOM 954 O GLU A 59 9.713 7.923 -5.751 1.00 0.00 O ATOM 955 CB GLU A 59 10.847 5.731 -3.956 1.00 0.00 C ATOM 956 CG GLU A 59 11.845 5.466 -5.085 1.00 0.00 C ATOM 957 CD GLU A 59 12.742 6.646 -5.429 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.404 7.207 -4.517 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.863 6.985 -6.637 1.00 0.00 O ATOM 0 H GLU A 59 9.066 4.079 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 59 9.023 6.795 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.251 6.545 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.833 4.843 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.472 4.619 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.293 5.174 -5.978 1.00 0.00 H new ATOM 966 N ASN A 60 8.625 6.168 -6.585 1.00 0.00 N ATOM 967 CA ASN A 60 8.255 6.802 -7.812 1.00 0.00 C ATOM 968 C ASN A 60 7.137 7.777 -7.673 1.00 0.00 C ATOM 969 O ASN A 60 7.004 8.669 -8.510 1.00 0.00 O ATOM 970 CB ASN A 60 7.900 5.698 -8.822 1.00 0.00 C ATOM 971 CG ASN A 60 9.109 5.358 -9.683 1.00 0.00 C ATOM 972 OD1 ASN A 60 9.316 5.928 -10.751 1.00 0.00 O ATOM 973 ND2 ASN A 60 9.947 4.388 -9.227 1.00 0.00 N ATOM 0 H ASN A 60 8.345 5.188 -6.538 1.00 0.00 H new ATOM 0 HA ASN A 60 9.101 7.396 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.560 4.808 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.076 6.027 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.765 4.122 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.757 3.927 -8.337 1.00 0.00 H new ATOM 980 N LEU A 61 6.302 7.686 -6.624 1.00 0.00 N ATOM 981 CA LEU A 61 5.219 8.591 -6.396 1.00 0.00 C ATOM 982 C LEU A 61 5.386 9.407 -5.161 1.00 0.00 C ATOM 983 O LEU A 61 4.461 10.075 -4.700 1.00 0.00 O ATOM 984 CB LEU A 61 3.845 7.900 -6.386 1.00 0.00 C ATOM 985 CG LEU A 61 3.096 8.115 -7.712 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.601 7.153 -8.801 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.575 7.987 -7.525 1.00 0.00 C ATOM 0 H LEU A 61 6.382 6.960 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 61 5.249 9.267 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.975 6.832 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.247 8.289 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 61 3.304 9.132 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.052 7.330 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.664 7.323 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.445 6.124 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.076 8.145 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.337 6.991 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.232 8.734 -6.810 1.00 0.00 H new ATOM 999 N LYS A 62 6.614 9.424 -4.610 1.00 0.00 N ATOM 1000 CA LYS A 62 7.098 10.131 -3.465 1.00 0.00 C ATOM 1001 C LYS A 62 6.533 11.434 -3.018 1.00 0.00 C ATOM 1002 O LYS A 62 6.479 11.673 -1.812 1.00 0.00 O ATOM 1003 CB LYS A 62 8.623 10.272 -3.604 1.00 0.00 C ATOM 1004 CG LYS A 62 9.184 10.646 -4.977 1.00 0.00 C ATOM 1005 CD LYS A 62 9.035 12.101 -5.427 1.00 0.00 C ATOM 1006 CE LYS A 62 9.944 12.505 -6.590 1.00 0.00 C ATOM 1007 NZ LYS A 62 11.364 12.173 -6.331 1.00 0.00 N ATOM 0 H LYS A 62 7.361 8.867 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 62 6.727 9.491 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.956 11.025 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.075 9.327 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.245 10.398 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.702 10.012 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.998 12.274 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.242 12.753 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.615 12.001 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.850 13.576 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.974 12.768 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.584 12.347 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.532 11.171 -6.554 1.00 0.00 H new ATOM 1021 N GLY A 63 6.124 12.317 -3.946 1.00 0.00 N ATOM 1022 CA GLY A 63 5.629 13.636 -3.699 1.00 0.00 C ATOM 1023 C GLY A 63 4.145 13.713 -3.802 1.00 0.00 C ATOM 1024 O GLY A 63 3.476 14.269 -2.934 1.00 0.00 O ATOM 0 H GLY A 63 6.141 12.092 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.939 13.957 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.077 14.329 -4.412 1.00 0.00 H new ATOM 1028 N LYS A 64 3.555 13.154 -4.875 1.00 0.00 N ATOM 1029 CA LYS A 64 2.171 13.351 -5.172 1.00 0.00 C ATOM 1030 C LYS A 64 1.275 12.376 -4.490 1.00 0.00 C ATOM 1031 O LYS A 64 0.050 12.454 -4.560 1.00 0.00 O ATOM 1032 CB LYS A 64 1.912 13.224 -6.683 1.00 0.00 C ATOM 1033 CG LYS A 64 2.058 11.799 -7.220 1.00 0.00 C ATOM 1034 CD LYS A 64 1.673 11.675 -8.696 1.00 0.00 C ATOM 1035 CE LYS A 64 2.787 12.025 -9.684 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.226 12.038 -11.052 1.00 0.00 N ATOM 0 H LYS A 64 4.045 12.559 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 64 1.944 14.353 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.906 13.582 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.604 13.875 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.089 11.471 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.434 11.128 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.346 10.653 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.819 12.324 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.214 12.998 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.595 11.297 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.976 12.275 -11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.838 11.100 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.469 12.748 -11.110 1.00 0.00 H new ATOM 1050 N SER A 65 1.893 11.392 -3.812 1.00 0.00 N ATOM 1051 CA SER A 65 1.333 10.262 -3.138 1.00 0.00 C ATOM 1052 C SER A 65 -0.049 10.374 -2.591 1.00 0.00 C ATOM 1053 O SER A 65 -0.956 9.655 -3.006 1.00 0.00 O ATOM 1054 CB SER A 65 2.260 9.939 -1.954 1.00 0.00 C ATOM 1055 OG SER A 65 3.470 9.305 -2.339 1.00 0.00 O ATOM 0 H SER A 65 2.910 11.393 -3.729 1.00 0.00 H new ATOM 0 HA SER A 65 1.255 9.499 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.495 10.862 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.729 9.296 -1.252 1.00 0.00 H new ATOM 0 HG SER A 65 3.581 9.375 -3.310 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.264 11.308 -1.647 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.507 11.510 -0.968 1.00 0.00 C ATOM 1063 C GLN A 66 -2.640 12.021 -1.791 1.00 0.00 C ATOM 1064 O GLN A 66 -3.798 11.955 -1.383 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.234 12.456 0.213 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.854 11.866 1.482 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.441 12.589 2.756 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.376 13.814 2.842 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.150 11.789 3.816 1.00 0.00 N ATOM 0 H GLN A 66 0.465 11.954 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.852 10.524 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.161 12.590 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.656 13.441 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.940 11.896 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.569 10.817 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.211 10.775 3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.871 12.203 4.706 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.343 12.530 -3.000 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.308 13.008 -3.942 1.00 0.00 C ATOM 1080 C GLU A 67 -3.697 11.918 -4.879 1.00 0.00 C ATOM 1081 O GLU A 67 -4.877 11.760 -5.189 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.767 14.192 -4.761 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.305 15.386 -3.923 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.863 16.589 -4.745 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.016 16.615 -5.995 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.355 17.558 -4.120 1.00 0.00 O ATOM 0 H GLU A 67 -1.384 12.612 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.174 13.343 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.931 13.845 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.543 14.526 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.118 15.689 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.478 15.071 -3.286 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.722 11.149 -5.396 1.00 0.00 N ATOM 1094 CA ASP A 68 -2.955 10.259 -6.492 1.00 0.00 C ATOM 1095 C ASP A 68 -3.293 8.873 -6.061 1.00 0.00 C ATOM 1096 O ASP A 68 -4.123 8.204 -6.674 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.721 10.290 -7.409 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.084 10.410 -8.883 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.582 11.492 -9.293 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.830 9.448 -9.657 1.00 0.00 O ATOM 0 H ASP A 68 -1.762 11.144 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.834 10.602 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.085 11.129 -7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.137 9.382 -7.256 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.681 8.382 -4.969 1.00 0.00 N ATOM 1106 CA ALA A 69 -2.961 7.072 -4.468 1.00 0.00 C ATOM 1107 C ALA A 69 -4.387 6.850 -4.096 1.00 0.00 C ATOM 1108 O ALA A 69 -5.017 5.928 -4.609 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.052 6.716 -3.280 1.00 0.00 C ATOM 0 H ALA A 69 -1.986 8.897 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.750 6.406 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.293 5.714 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.010 6.748 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.208 7.433 -2.474 1.00 0.00 H new ATOM 1115 N GLU A 70 -4.984 7.710 -3.250 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.373 7.662 -2.915 1.00 0.00 C ATOM 1117 C GLU A 70 -7.373 7.383 -3.984 1.00 0.00 C ATOM 1118 O GLU A 70 -8.327 6.642 -3.760 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.767 8.912 -2.108 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.528 10.227 -2.852 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.600 11.256 -2.524 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -7.711 11.706 -1.353 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.412 11.579 -3.432 1.00 0.00 O ATOM 0 H GLU A 70 -4.481 8.465 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.435 6.749 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.821 8.843 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.202 8.925 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.548 10.624 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.516 10.042 -3.926 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.220 7.926 -5.205 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.160 7.785 -6.274 1.00 0.00 C ATOM 1132 C LYS A 71 -7.935 6.579 -7.118 1.00 0.00 C ATOM 1133 O LYS A 71 -8.872 5.960 -7.623 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.054 8.996 -7.215 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.393 10.333 -6.550 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.762 11.474 -7.351 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.001 12.876 -6.788 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.353 13.020 -5.464 1.00 0.00 N ATOM 0 H LYS A 71 -6.407 8.487 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.135 7.700 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.040 9.046 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.722 8.844 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.474 10.463 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.023 10.346 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.687 11.303 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.148 11.438 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.606 13.623 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.071 13.061 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.271 14.029 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.927 12.539 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.405 12.593 -5.493 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.663 6.194 -7.325 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.331 5.015 -8.064 1.00 0.00 C ATOM 1154 C GLU A 72 -6.533 3.793 -7.237 1.00 0.00 C ATOM 1155 O GLU A 72 -6.885 2.729 -7.743 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.879 5.163 -8.551 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.709 6.222 -9.641 1.00 0.00 C ATOM 1158 CD GLU A 72 -5.308 5.787 -10.971 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -4.824 4.769 -11.535 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -6.239 6.463 -11.485 1.00 0.00 O ATOM 0 H GLU A 72 -5.854 6.707 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.988 4.901 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.244 5.420 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.531 4.202 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.181 7.150 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.648 6.434 -9.775 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.380 3.895 -5.904 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.416 2.778 -5.013 1.00 0.00 C ATOM 1169 C TYR A 73 -7.750 2.121 -4.920 1.00 0.00 C ATOM 1170 O TYR A 73 -7.838 0.896 -4.984 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.016 3.224 -3.596 1.00 0.00 C ATOM 1172 CG TYR A 73 -5.765 2.071 -2.686 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.667 1.270 -2.896 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.599 1.829 -1.621 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.335 0.286 -1.994 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.281 0.827 -0.734 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.143 0.074 -0.902 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.818 -0.949 0.014 1.00 0.00 O ATOM 0 H TYR A 73 -6.226 4.786 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.715 2.053 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.119 3.841 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.806 3.848 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.060 1.415 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.493 2.418 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.449 -0.314 -2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.933 0.629 0.104 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.237 -0.587 0.716 1.00 0.00 H new ATOM 1188 N ILE A 74 -8.835 2.904 -4.778 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.176 2.409 -4.799 1.00 0.00 C ATOM 1190 C ILE A 74 -10.469 1.471 -5.918 1.00 0.00 C ATOM 1191 O ILE A 74 -11.006 0.383 -5.722 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.173 3.529 -4.735 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.634 3.056 -4.829 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.904 4.616 -5.789 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.065 2.059 -3.754 1.00 0.00 C ATOM 0 H ILE A 74 -8.777 3.914 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.276 1.807 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.035 3.964 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.286 3.928 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.790 2.601 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.653 5.403 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.912 5.040 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.955 4.177 -6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.110 1.788 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.445 1.165 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.948 2.512 -2.770 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.046 1.815 -7.148 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.268 1.012 -8.311 1.00 0.00 C ATOM 1209 C ALA A 75 -9.544 -0.290 -8.325 1.00 0.00 C ATOM 1210 O ALA A 75 -10.109 -1.315 -8.705 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.902 1.842 -9.553 1.00 0.00 C ATOM 0 H ALA A 75 -9.535 2.677 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.323 0.739 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.065 1.245 -10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.527 2.734 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.854 2.136 -9.498 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.282 -0.319 -7.861 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.503 -1.508 -7.710 1.00 0.00 C ATOM 1219 C LEU A 76 -8.064 -2.450 -6.702 1.00 0.00 C ATOM 1220 O LEU A 76 -8.093 -3.666 -6.885 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.097 -1.198 -7.168 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.217 -0.298 -8.050 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.014 0.132 -7.193 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.760 -1.008 -9.336 1.00 0.00 C ATOM 0 H LEU A 76 -7.783 0.524 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.495 -1.942 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.202 -0.725 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.574 -2.141 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.789 0.568 -8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.359 0.775 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.367 0.677 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.462 -0.751 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.141 -0.331 -9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.182 -1.895 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.633 -1.302 -9.919 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.514 -1.893 -5.563 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.993 -2.608 -4.421 1.00 0.00 C ATOM 1238 C VAL A 77 -10.377 -3.113 -4.646 1.00 0.00 C ATOM 1239 O VAL A 77 -10.766 -4.137 -4.087 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.830 -1.769 -3.188 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.585 -2.381 -1.996 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.323 -1.771 -2.885 1.00 0.00 C ATOM 0 H VAL A 77 -8.545 -0.882 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.391 -3.503 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.228 -0.767 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.449 -1.751 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.647 -2.448 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.195 -3.378 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.130 -1.175 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.987 -2.794 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.781 -1.345 -3.730 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.176 -2.508 -5.542 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.411 -3.092 -5.968 1.00 0.00 C ATOM 1254 C ASP A 78 -12.203 -4.384 -6.680 1.00 0.00 C ATOM 1255 O ASP A 78 -12.881 -5.375 -6.411 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.142 -2.075 -6.860 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.641 -2.301 -6.996 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.236 -3.144 -6.270 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.253 -1.600 -7.845 1.00 0.00 O ATOM 0 H ASP A 78 -10.966 -1.608 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.018 -3.325 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.975 -1.076 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.694 -2.098 -7.854 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.189 -4.445 -7.562 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.747 -5.627 -8.234 1.00 0.00 C ATOM 1266 C GLN A 79 -10.167 -6.656 -7.325 1.00 0.00 C ATOM 1267 O GLN A 79 -10.234 -7.851 -7.606 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.732 -5.303 -9.343 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.283 -4.405 -10.452 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.261 -4.076 -11.531 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -9.008 -2.919 -11.865 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.648 -5.128 -12.137 1.00 0.00 N ATOM 0 H GLN A 79 -10.647 -3.621 -7.820 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.651 -6.051 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.864 -4.819 -8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.384 -6.236 -9.786 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.141 -4.895 -10.913 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.645 -3.477 -10.011 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.868 -6.081 -11.849 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.968 -4.964 -12.879 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.606 -6.252 -6.171 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.160 -7.117 -5.124 1.00 0.00 C ATOM 1283 C LEU A 80 -10.343 -7.690 -4.421 1.00 0.00 C ATOM 1284 O LEU A 80 -10.581 -8.897 -4.444 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.291 -6.413 -4.068 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.893 -5.933 -4.492 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.992 -5.957 -3.246 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.247 -6.724 -5.642 1.00 0.00 C ATOM 0 H LEU A 80 -9.456 -5.266 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.550 -7.882 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.845 -5.549 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.170 -7.095 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.009 -4.927 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.991 -5.621 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.405 -5.295 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.941 -6.973 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.265 -6.306 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.140 -7.769 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.878 -6.658 -6.528 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.167 -6.845 -3.778 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.213 -7.226 -2.880 1.00 0.00 C ATOM 1302 C ILE A 81 -13.298 -8.004 -3.540 1.00 0.00 C ATOM 1303 O ILE A 81 -13.867 -8.910 -2.934 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.736 -6.013 -2.169 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.689 -5.508 -1.162 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.084 -6.239 -1.465 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.092 -4.232 -0.425 1.00 0.00 C ATOM 0 H ILE A 81 -11.099 -5.834 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.787 -7.907 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.919 -5.260 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.498 -6.292 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.752 -5.329 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.397 -5.318 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.834 -6.531 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.978 -7.029 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.299 -3.945 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.253 -3.431 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.012 -4.409 0.133 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.570 -7.753 -4.833 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.444 -8.556 -5.631 1.00 0.00 C ATOM 1321 C ALA A 82 -14.095 -10.003 -5.696 1.00 0.00 C ATOM 1322 O ALA A 82 -14.970 -10.854 -5.842 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.502 -7.995 -7.062 1.00 0.00 C ATOM 0 H ALA A 82 -13.168 -6.965 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.412 -8.502 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.169 -8.609 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.875 -6.971 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.503 -8.006 -7.498 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.800 -10.351 -5.587 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.349 -11.683 -5.329 1.00 0.00 C ATOM 1331 C LYS A 83 -12.283 -11.950 -3.864 1.00 0.00 C ATOM 1332 O LYS A 83 -12.727 -12.983 -3.364 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.966 -11.908 -5.963 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.894 -11.776 -7.486 1.00 0.00 C ATOM 1335 CD LYS A 83 -11.610 -12.878 -8.269 1.00 0.00 C ATOM 1336 CE LYS A 83 -10.988 -14.270 -8.157 1.00 0.00 C ATOM 1337 NZ LYS A 83 -11.597 -15.163 -9.168 1.00 0.00 N ATOM 0 H LYS A 83 -12.039 -9.679 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.065 -12.374 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.267 -11.196 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.621 -12.905 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.319 -10.814 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.846 -11.762 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.643 -12.931 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.637 -12.594 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.910 -14.212 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.148 -14.672 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.175 -16.111 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.622 -15.226 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.423 -14.780 -10.119 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.666 -11.032 -3.100 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.965 -11.323 -1.889 1.00 0.00 C ATOM 1353 C TYR A 84 -11.754 -11.161 -0.635 1.00 0.00 C ATOM 1354 O TYR A 84 -11.311 -11.633 0.411 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.686 -10.472 -1.797 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.660 -10.737 -2.845 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.661 -11.858 -3.641 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.629 -9.841 -2.999 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.656 -12.096 -4.548 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.622 -10.045 -3.913 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.627 -11.192 -4.670 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.598 -11.498 -5.586 1.00 0.00 O ATOM 0 H TYR A 84 -11.656 -10.040 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.733 -12.386 -1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.967 -9.420 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.232 -10.635 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.470 -12.568 -3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.609 -8.952 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.674 -12.986 -5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.837 -9.313 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.863 -10.858 -5.478 1.00 0.00 H new ATOM 1372 N SER A 85 -12.943 -10.533 -0.687 1.00 0.00 N ATOM 1373 CA SER A 85 -13.846 -10.354 0.406 1.00 0.00 C ATOM 1374 C SER A 85 -14.082 -11.579 1.220 1.00 0.00 C ATOM 1375 O SER A 85 -13.899 -11.579 2.437 1.00 0.00 O ATOM 1376 CB SER A 85 -15.202 -9.771 -0.026 1.00 0.00 C ATOM 1377 OG SER A 85 -15.962 -9.297 1.077 1.00 0.00 O ATOM 0 H SER A 85 -13.295 -10.123 -1.552 1.00 0.00 H new ATOM 0 HA SER A 85 -13.328 -9.633 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.036 -8.954 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.771 -10.535 -0.555 1.00 0.00 H new ATOM 0 HG SER A 85 -16.814 -8.934 0.756 1.00 0.00 H new ATOM 1383 N SER A 86 -14.498 -12.677 0.564 1.00 0.00 N ATOM 1384 CA SER A 86 -14.496 -13.985 1.140 1.00 0.00 C ATOM 1385 C SER A 86 -14.603 -15.017 0.026 1.00 0.00 C ATOM 1386 O SER A 86 -15.603 -15.013 -0.740 1.00 0.00 O ATOM 1387 CB SER A 86 -15.629 -14.252 2.146 1.00 0.00 C ATOM 1388 OG SER A 86 -15.352 -13.621 3.387 1.00 0.00 O ATOM 1389 OXT SER A 86 -13.676 -15.860 -0.105 1.00 0.00 O ATOM 0 H SER A 86 -14.846 -12.654 -0.395 1.00 0.00 H new ATOM 0 HA SER A 86 -13.561 -14.059 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.573 -13.882 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.745 -15.325 2.295 1.00 0.00 H new ATOM 0 HG SER A 86 -14.819 -12.813 3.232 1.00 0.00 H new