USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 76 THR OG1 : rot -76:sc= 0.0868 USER MOD Set 1.2: A 77 ASN : amide:sc= 0.0717 K(o=0.16,f=-1.6!) USER MOD Set 2.1: A 24 ASN : amide:sc= -5.79! C(o=-9.2!,f=-12!) USER MOD Set 2.2: A 26 HIS : no HE2:sc= -2.25 K(o=-9.2,f=-14!) USER MOD Set 2.3: A 36 THR OG1 : rot 23:sc= -2.13! USER MOD Set 2.4: A 88 THR OG1 : rot -52:sc= 0.969 USER MOD Set 3.1: A 23 CYS SG : rot 177:sc= 0.355 USER MOD Set 3.2: A 25 HIS : no HD1:sc= -0.972 X(o=-2,f=-1.9) USER MOD Set 3.3: A 70 CYS SG : rot -120:sc= -1.41! USER MOD Single : A 19 SER OG : rot -23:sc= 0.159 USER MOD Single : A 22 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.675 K(o=0.68,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.32) USER MOD Single : A 54 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 0.971 (180deg=0.387) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0795 K(o=-0.079,f=-7.3!) USER MOD Single : A 66 SER OG : rot 170:sc= 0.334 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0334 (180deg=-0.21) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 34:sc= 0.217 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -80:sc= -0.902! USER MOD Single : A 98 SER OG : rot -61:sc= 0.0177 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.196 -0.760 -2.278 1.00 0.00 N ATOM 2 CA SER A 19 19.882 0.549 -2.886 1.00 0.00 C ATOM 3 C SER A 19 18.372 0.763 -2.905 1.00 0.00 C ATOM 4 O SER A 19 17.664 0.207 -2.063 1.00 0.00 O ATOM 5 CB SER A 19 20.457 0.597 -4.305 1.00 0.00 C ATOM 6 OG SER A 19 20.015 -0.509 -5.073 1.00 0.00 O ATOM 0 HA SER A 19 20.332 1.348 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.156 1.525 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.546 0.600 -4.259 1.00 0.00 H new ATOM 0 HG SER A 19 19.760 -1.242 -4.474 1.00 0.00 H new ATOM 14 N PHE A 20 17.891 1.593 -3.830 1.00 0.00 N ATOM 15 CA PHE A 20 16.457 1.775 -4.036 1.00 0.00 C ATOM 16 C PHE A 20 15.777 0.431 -4.253 1.00 0.00 C ATOM 17 O PHE A 20 16.318 -0.453 -4.923 1.00 0.00 O ATOM 18 CB PHE A 20 16.179 2.669 -5.248 1.00 0.00 C ATOM 19 CG PHE A 20 16.781 4.041 -5.168 1.00 0.00 C ATOM 20 CD1 PHE A 20 16.136 5.051 -4.478 1.00 0.00 C ATOM 21 CD2 PHE A 20 17.984 4.321 -5.792 1.00 0.00 C ATOM 22 CE1 PHE A 20 16.681 6.318 -4.406 1.00 0.00 C ATOM 23 CE2 PHE A 20 18.534 5.586 -5.724 1.00 0.00 C ATOM 24 CZ PHE A 20 17.883 6.586 -5.030 1.00 0.00 C ATOM 0 H PHE A 20 18.477 2.152 -4.450 1.00 0.00 H new ATOM 0 HA PHE A 20 16.058 2.253 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.557 2.173 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.100 2.767 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.195 4.847 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.498 3.543 -6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.168 7.098 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.474 5.793 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.313 7.575 -4.975 1.00 0.00 H new ATOM 34 N VAL A 21 14.593 0.289 -3.694 1.00 0.00 N ATOM 35 CA VAL A 21 13.854 -0.956 -3.778 1.00 0.00 C ATOM 36 C VAL A 21 12.358 -0.684 -3.939 1.00 0.00 C ATOM 37 O VAL A 21 11.789 0.173 -3.258 1.00 0.00 O ATOM 38 CB VAL A 21 14.134 -1.841 -2.538 1.00 0.00 C ATOM 39 CG1 VAL A 21 14.120 -1.004 -1.276 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.137 -2.987 -2.426 1.00 0.00 C ATOM 0 H VAL A 21 14.118 1.026 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 21 14.191 -1.501 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 21 15.125 -2.277 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.318 -1.641 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.888 -0.233 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.143 -0.534 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.367 -3.584 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.128 -2.584 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.202 -3.614 -3.316 1.00 0.00 H new ATOM 50 N GLN A 22 11.737 -1.389 -4.876 1.00 0.00 N ATOM 51 CA GLN A 22 10.312 -1.247 -5.127 1.00 0.00 C ATOM 52 C GLN A 22 9.539 -2.332 -4.386 1.00 0.00 C ATOM 53 O GLN A 22 10.026 -3.453 -4.229 1.00 0.00 O ATOM 54 CB GLN A 22 10.036 -1.282 -6.639 1.00 0.00 C ATOM 55 CG GLN A 22 10.634 -2.480 -7.369 1.00 0.00 C ATOM 56 CD GLN A 22 9.740 -3.703 -7.345 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.217 -4.836 -7.335 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.438 -3.486 -7.375 1.00 0.00 N ATOM 0 H GLN A 22 12.203 -2.069 -5.477 1.00 0.00 H new ATOM 0 HA GLN A 22 9.972 -0.282 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.958 -1.278 -6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.427 -0.369 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.832 -2.204 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.593 -2.731 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.080 -2.531 -7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.790 -4.274 -7.391 1.00 0.00 H new ATOM 67 N CYS A 23 8.344 -2.000 -3.918 1.00 0.00 N ATOM 68 CA CYS A 23 7.586 -2.916 -3.081 1.00 0.00 C ATOM 69 C CYS A 23 6.081 -2.724 -3.246 1.00 0.00 C ATOM 70 O CYS A 23 5.599 -1.624 -3.513 1.00 0.00 O ATOM 71 CB CYS A 23 7.973 -2.699 -1.619 1.00 0.00 C ATOM 72 SG CYS A 23 7.772 -0.997 -1.049 1.00 0.00 S ATOM 0 H CYS A 23 7.882 -1.110 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 23 7.826 -3.933 -3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.368 -3.355 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.012 -2.997 -1.481 1.00 0.00 H new ATOM 0 HG CYS A 23 8.062 -0.926 0.216 1.00 0.00 H new ATOM 78 N ASN A 24 5.334 -3.800 -3.085 1.00 0.00 N ATOM 79 CA ASN A 24 3.883 -3.714 -3.084 1.00 0.00 C ATOM 80 C ASN A 24 3.401 -3.134 -1.764 1.00 0.00 C ATOM 81 O ASN A 24 3.581 -3.734 -0.708 1.00 0.00 O ATOM 82 CB ASN A 24 3.238 -5.084 -3.336 1.00 0.00 C ATOM 83 CG ASN A 24 3.998 -6.229 -2.696 1.00 0.00 C ATOM 84 OD1 ASN A 24 3.783 -6.570 -1.533 1.00 0.00 O ATOM 85 ND2 ASN A 24 4.886 -6.843 -3.465 1.00 0.00 N ATOM 0 H ASN A 24 5.705 -4.741 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 24 3.581 -3.055 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.218 -5.074 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.173 -5.255 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.421 -7.630 -3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.034 -6.529 -4.424 1.00 0.00 H new ATOM 92 N HIS A 25 2.810 -1.949 -1.830 1.00 0.00 N ATOM 93 CA HIS A 25 2.285 -1.286 -0.642 1.00 0.00 C ATOM 94 C HIS A 25 0.933 -1.890 -0.302 1.00 0.00 C ATOM 95 O HIS A 25 0.008 -1.831 -1.111 1.00 0.00 O ATOM 96 CB HIS A 25 2.128 0.222 -0.871 1.00 0.00 C ATOM 97 CG HIS A 25 3.404 0.961 -1.163 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.558 0.352 -1.602 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.690 2.283 -1.088 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.497 1.263 -1.780 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.998 2.447 -1.479 1.00 0.00 N ATOM 0 H HIS A 25 2.681 -1.425 -2.696 1.00 0.00 H new ATOM 0 HA HIS A 25 2.987 -1.432 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.439 0.377 -1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.666 0.662 0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.014 3.066 -0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.505 1.071 -2.116 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.498 3.334 -1.528 1.00 0.00 H new ATOM 110 N HIS A 26 0.827 -2.496 0.868 1.00 0.00 N ATOM 111 CA HIS A 26 -0.389 -3.209 1.249 1.00 0.00 C ATOM 112 C HIS A 26 -1.404 -2.289 1.897 1.00 0.00 C ATOM 113 O HIS A 26 -1.065 -1.493 2.769 1.00 0.00 O ATOM 114 CB HIS A 26 -0.076 -4.354 2.219 1.00 0.00 C ATOM 115 CG HIS A 26 0.572 -5.543 1.581 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.269 -6.842 1.929 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.515 -5.627 0.615 1.00 0.00 C ATOM 118 CE1 HIS A 26 0.994 -7.667 1.203 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.758 -6.956 0.397 1.00 0.00 N ATOM 0 H HIS A 26 1.565 -2.511 1.572 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.812 -3.610 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.577 -3.979 3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.002 -4.673 2.697 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.410 -7.120 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.989 -4.799 0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.967 -8.745 1.258 1.00 0.00 H new ATOM 128 N LEU A 27 -2.648 -2.410 1.467 1.00 0.00 N ATOM 129 CA LEU A 27 -3.751 -1.768 2.151 1.00 0.00 C ATOM 130 C LEU A 27 -4.423 -2.817 3.023 1.00 0.00 C ATOM 131 O LEU A 27 -4.838 -3.877 2.537 1.00 0.00 O ATOM 132 CB LEU A 27 -4.751 -1.172 1.148 1.00 0.00 C ATOM 133 CG LEU A 27 -5.685 -0.075 1.694 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.620 -0.618 2.762 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.875 1.082 2.254 1.00 0.00 C ATOM 0 H LEU A 27 -2.917 -2.949 0.644 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.385 -0.943 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.191 -0.760 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.366 -1.981 0.754 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.293 0.282 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.264 0.184 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.234 -1.413 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.034 -1.015 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.550 1.848 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.239 0.723 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.253 1.506 1.465 1.00 0.00 H new ATOM 147 N LEU A 28 -4.509 -2.530 4.306 1.00 0.00 N ATOM 148 CA LEU A 28 -5.056 -3.470 5.254 1.00 0.00 C ATOM 149 C LEU A 28 -6.446 -3.047 5.694 1.00 0.00 C ATOM 150 O LEU A 28 -6.649 -1.950 6.220 1.00 0.00 O ATOM 151 CB LEU A 28 -4.139 -3.596 6.470 1.00 0.00 C ATOM 152 CG LEU A 28 -3.616 -5.006 6.740 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.764 -5.990 6.922 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.697 -5.449 5.615 1.00 0.00 C ATOM 0 H LEU A 28 -4.204 -1.647 4.715 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.129 -4.441 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.288 -2.928 6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.679 -3.250 7.351 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.045 -4.989 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.363 -6.986 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.380 -5.679 7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.372 -6.011 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.331 -6.455 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.247 -5.447 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.853 -4.763 5.543 1.00 0.00 H new ATOM 166 N TYR A 29 -7.395 -3.927 5.479 1.00 0.00 N ATOM 167 CA TYR A 29 -8.751 -3.710 5.937 1.00 0.00 C ATOM 168 C TYR A 29 -8.903 -4.405 7.275 1.00 0.00 C ATOM 169 O TYR A 29 -8.252 -5.425 7.512 1.00 0.00 O ATOM 170 CB TYR A 29 -9.758 -4.262 4.918 1.00 0.00 C ATOM 171 CG TYR A 29 -11.205 -4.103 5.336 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.813 -2.853 5.344 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.959 -5.202 5.728 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.132 -2.704 5.730 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.278 -5.061 6.114 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.860 -3.810 6.113 1.00 0.00 C ATOM 177 OH TYR A 29 -15.175 -3.664 6.495 1.00 0.00 O ATOM 0 H TYR A 29 -7.253 -4.808 4.985 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.950 -2.644 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.608 -3.757 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.552 -5.320 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.246 -1.984 5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.507 -6.183 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.590 -1.726 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.851 -5.926 6.415 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.545 -4.539 6.734 1.00 0.00 H new ATOM 187 N ASN A 30 -9.712 -3.842 8.161 1.00 0.00 N ATOM 188 CA ASN A 30 -9.941 -4.453 9.463 1.00 0.00 C ATOM 189 C ASN A 30 -10.553 -5.832 9.270 1.00 0.00 C ATOM 190 O ASN A 30 -11.755 -5.965 9.034 1.00 0.00 O ATOM 191 CB ASN A 30 -10.859 -3.578 10.321 1.00 0.00 C ATOM 192 CG ASN A 30 -11.040 -4.125 11.725 1.00 0.00 C ATOM 193 OD1 ASN A 30 -10.256 -3.826 12.627 1.00 0.00 O ATOM 194 ND2 ASN A 30 -12.078 -4.922 11.925 1.00 0.00 N ATOM 0 H ASN A 30 -10.217 -2.970 8.004 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.988 -4.548 9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.446 -2.571 10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.833 -3.497 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.251 -5.312 12.852 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.705 -5.146 11.152 1.00 0.00 H new ATOM 201 N GLY A 31 -9.715 -6.849 9.371 1.00 0.00 N ATOM 202 CA GLY A 31 -10.141 -8.199 9.089 1.00 0.00 C ATOM 203 C GLY A 31 -9.072 -8.986 8.357 1.00 0.00 C ATOM 204 O GLY A 31 -8.692 -10.072 8.798 1.00 0.00 O ATOM 0 H GLY A 31 -8.737 -6.761 9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.389 -8.704 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.050 -8.175 8.488 1.00 0.00 H new ATOM 208 N ARG A 32 -8.571 -8.433 7.250 1.00 0.00 N ATOM 209 CA ARG A 32 -7.575 -9.123 6.436 1.00 0.00 C ATOM 210 C ARG A 32 -7.069 -8.231 5.293 1.00 0.00 C ATOM 211 O ARG A 32 -7.516 -7.092 5.141 1.00 0.00 O ATOM 212 CB ARG A 32 -8.174 -10.414 5.861 1.00 0.00 C ATOM 213 CG ARG A 32 -7.142 -11.478 5.534 1.00 0.00 C ATOM 214 CD ARG A 32 -6.369 -11.889 6.776 1.00 0.00 C ATOM 215 NE ARG A 32 -5.406 -12.951 6.497 1.00 0.00 N ATOM 216 CZ ARG A 32 -4.440 -13.321 7.336 1.00 0.00 C ATOM 217 NH1 ARG A 32 -4.242 -12.648 8.465 1.00 0.00 N ATOM 218 NH2 ARG A 32 -3.661 -14.352 7.029 1.00 0.00 N ATOM 0 H ARG A 32 -8.839 -7.513 6.900 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.727 -9.366 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.888 -10.822 6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.732 -10.173 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.637 -12.349 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.451 -11.100 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.846 -11.022 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.067 -12.225 7.542 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.478 -13.440 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.831 -11.846 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.502 -12.934 9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.804 -14.856 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.920 -14.639 7.668 1.00 0.00 H new ATOM 232 N HIS A 33 -6.121 -8.758 4.516 1.00 0.00 N ATOM 233 CA HIS A 33 -5.600 -8.100 3.320 1.00 0.00 C ATOM 234 C HIS A 33 -6.726 -7.656 2.385 1.00 0.00 C ATOM 235 O HIS A 33 -7.601 -8.445 2.031 1.00 0.00 O ATOM 236 CB HIS A 33 -4.654 -9.085 2.606 1.00 0.00 C ATOM 237 CG HIS A 33 -4.484 -8.874 1.120 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.139 -9.649 0.191 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.731 -7.997 0.405 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.806 -9.268 -1.025 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.953 -8.268 -0.927 1.00 0.00 N ATOM 0 H HIS A 33 -5.690 -9.663 4.703 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.060 -7.198 3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.673 -9.023 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.023 -10.097 2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.082 -7.233 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.170 -9.701 -1.945 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.526 -7.774 -1.711 1.00 0.00 H new ATOM 250 N TRP A 34 -6.697 -6.387 1.997 1.00 0.00 N ATOM 251 CA TRP A 34 -7.646 -5.875 1.022 1.00 0.00 C ATOM 252 C TRP A 34 -7.021 -5.910 -0.369 1.00 0.00 C ATOM 253 O TRP A 34 -7.552 -6.533 -1.288 1.00 0.00 O ATOM 254 CB TRP A 34 -8.058 -4.440 1.373 1.00 0.00 C ATOM 255 CG TRP A 34 -9.196 -3.930 0.536 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.515 -3.898 0.884 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.121 -3.389 -0.792 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.262 -3.380 -0.146 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.430 -3.060 -1.182 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.074 -3.155 -1.689 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.720 -2.513 -2.426 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -8.363 -2.610 -2.924 1.00 0.00 C ATOM 263 CH2 TRP A 34 -9.676 -2.295 -3.283 1.00 0.00 C ATOM 0 H TRP A 34 -6.029 -5.698 2.342 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.536 -6.504 1.036 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.341 -4.397 2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.199 -3.781 1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.914 -4.231 1.831 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.274 -3.254 -0.139 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.056 -3.397 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.734 -2.269 -2.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -7.562 -2.424 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.871 -1.871 -4.257 1.00 0.00 H new ATOM 274 N GLY A 35 -5.878 -5.251 -0.510 1.00 0.00 N ATOM 275 CA GLY A 35 -5.197 -5.203 -1.788 1.00 0.00 C ATOM 276 C GLY A 35 -3.828 -4.578 -1.663 1.00 0.00 C ATOM 277 O GLY A 35 -3.459 -4.113 -0.583 1.00 0.00 O ATOM 0 H GLY A 35 -5.409 -4.747 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.102 -6.212 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.795 -4.633 -2.499 1.00 0.00 H new ATOM 281 N THR A 36 -3.056 -4.593 -2.737 1.00 0.00 N ATOM 282 CA THR A 36 -1.741 -3.983 -2.723 1.00 0.00 C ATOM 283 C THR A 36 -1.296 -3.575 -4.132 1.00 0.00 C ATOM 284 O THR A 36 -1.633 -4.231 -5.118 1.00 0.00 O ATOM 285 CB THR A 36 -0.702 -4.913 -2.065 1.00 0.00 C ATOM 286 OG1 THR A 36 0.571 -4.275 -2.007 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.573 -6.216 -2.817 1.00 0.00 C ATOM 0 H THR A 36 -3.318 -5.020 -3.626 1.00 0.00 H new ATOM 0 HA THR A 36 -1.809 -3.076 -2.122 1.00 0.00 H new ATOM 0 HB THR A 36 -1.050 -5.128 -1.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.452 -3.303 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.167 -6.848 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.536 -6.727 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.257 -6.015 -3.841 1.00 0.00 H new ATOM 295 N ILE A 37 -0.544 -2.482 -4.209 1.00 0.00 N ATOM 296 CA ILE A 37 -0.069 -1.947 -5.478 1.00 0.00 C ATOM 297 C ILE A 37 1.459 -1.909 -5.473 1.00 0.00 C ATOM 298 O ILE A 37 2.072 -1.483 -4.488 1.00 0.00 O ATOM 299 CB ILE A 37 -0.615 -0.514 -5.754 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.141 -0.505 -5.934 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.064 0.098 -6.976 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.916 -0.574 -4.634 1.00 0.00 C ATOM 0 H ILE A 37 -0.248 -1.944 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.436 -2.602 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.381 0.092 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.428 0.401 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.427 -1.349 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.333 1.098 -7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.138 0.159 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.128 -0.525 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.985 -0.563 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.660 -1.493 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.661 0.284 -4.012 1.00 0.00 H new ATOM 314 N ARG A 38 2.070 -2.372 -6.556 1.00 0.00 N ATOM 315 CA ARG A 38 3.520 -2.371 -6.676 1.00 0.00 C ATOM 316 C ARG A 38 4.021 -0.959 -6.976 1.00 0.00 C ATOM 317 O ARG A 38 3.736 -0.406 -8.038 1.00 0.00 O ATOM 318 CB ARG A 38 3.960 -3.314 -7.792 1.00 0.00 C ATOM 319 CG ARG A 38 5.357 -3.862 -7.598 1.00 0.00 C ATOM 320 CD ARG A 38 5.374 -5.007 -6.598 1.00 0.00 C ATOM 321 NE ARG A 38 4.866 -6.248 -7.183 1.00 0.00 N ATOM 322 CZ ARG A 38 3.620 -6.712 -7.036 1.00 0.00 C ATOM 323 NH1 ARG A 38 2.720 -6.021 -6.341 1.00 0.00 N ATOM 324 NH2 ARG A 38 3.274 -7.862 -7.598 1.00 0.00 N ATOM 0 H ARG A 38 1.581 -2.754 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 38 3.945 -2.712 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.257 -4.145 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.914 -2.785 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.749 -4.207 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.016 -3.066 -7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.392 -5.163 -6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.770 -4.741 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 38 5.511 -6.802 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.978 -5.131 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.772 -6.382 -6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.957 -8.390 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.325 -8.218 -7.488 1.00 0.00 H new ATOM 338 N LYS A 39 4.748 -0.377 -6.036 1.00 0.00 N ATOM 339 CA LYS A 39 5.289 0.963 -6.209 1.00 0.00 C ATOM 340 C LYS A 39 6.668 1.047 -5.560 1.00 0.00 C ATOM 341 O LYS A 39 6.941 0.341 -4.593 1.00 0.00 O ATOM 342 CB LYS A 39 4.340 1.985 -5.582 1.00 0.00 C ATOM 343 CG LYS A 39 4.505 3.389 -6.133 1.00 0.00 C ATOM 344 CD LYS A 39 4.207 3.435 -7.626 1.00 0.00 C ATOM 345 CE LYS A 39 2.754 3.089 -7.930 1.00 0.00 C ATOM 346 NZ LYS A 39 2.469 3.128 -9.385 1.00 0.00 N ATOM 0 H LYS A 39 4.978 -0.812 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 39 5.388 1.183 -7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.312 1.660 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.503 2.006 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.837 4.070 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.522 3.736 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.430 4.431 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.862 2.738 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.529 2.095 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.098 3.789 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.471 2.887 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.660 4.083 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.077 2.442 -9.876 1.00 0.00 H new ATOM 360 N LYS A 40 7.536 1.900 -6.080 1.00 0.00 N ATOM 361 CA LYS A 40 8.876 2.012 -5.564 1.00 0.00 C ATOM 362 C LYS A 40 8.893 2.935 -4.347 1.00 0.00 C ATOM 363 O LYS A 40 8.086 3.864 -4.253 1.00 0.00 O ATOM 364 CB LYS A 40 9.791 2.506 -6.685 1.00 0.00 C ATOM 365 CG LYS A 40 11.034 3.207 -6.201 1.00 0.00 C ATOM 366 CD LYS A 40 12.015 3.452 -7.336 1.00 0.00 C ATOM 367 CE LYS A 40 12.418 2.145 -8.006 1.00 0.00 C ATOM 368 NZ LYS A 40 13.368 2.352 -9.131 1.00 0.00 N ATOM 0 H LYS A 40 7.329 2.523 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 40 9.242 1.042 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.083 1.656 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.229 3.186 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.761 4.158 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.514 2.607 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.565 4.118 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.902 3.955 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.873 1.487 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.526 1.640 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.611 1.433 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.926 2.958 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.232 2.809 -8.776 1.00 0.00 H new ATOM 382 N ALA A 41 9.790 2.639 -3.408 1.00 0.00 N ATOM 383 CA ALA A 41 9.890 3.379 -2.155 1.00 0.00 C ATOM 384 C ALA A 41 10.043 4.881 -2.389 1.00 0.00 C ATOM 385 O ALA A 41 10.755 5.311 -3.294 1.00 0.00 O ATOM 386 CB ALA A 41 11.058 2.855 -1.337 1.00 0.00 C ATOM 0 H ALA A 41 10.466 1.880 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 41 8.961 3.227 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.127 3.412 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.904 1.798 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.982 2.978 -1.902 1.00 0.00 H new ATOM 392 N GLY A 42 9.363 5.668 -1.567 1.00 0.00 N ATOM 393 CA GLY A 42 9.415 7.109 -1.704 1.00 0.00 C ATOM 394 C GLY A 42 8.228 7.660 -2.460 1.00 0.00 C ATOM 395 O GLY A 42 7.679 8.701 -2.099 1.00 0.00 O ATOM 0 H GLY A 42 8.774 5.332 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.455 7.564 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.333 7.389 -2.221 1.00 0.00 H new ATOM 399 N TRP A 43 7.814 6.952 -3.499 1.00 0.00 N ATOM 400 CA TRP A 43 6.716 7.405 -4.337 1.00 0.00 C ATOM 401 C TRP A 43 5.377 7.069 -3.694 1.00 0.00 C ATOM 402 O TRP A 43 5.193 5.980 -3.137 1.00 0.00 O ATOM 403 CB TRP A 43 6.824 6.785 -5.731 1.00 0.00 C ATOM 404 CG TRP A 43 8.132 7.088 -6.398 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.042 6.188 -6.879 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.691 8.386 -6.630 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.126 6.851 -7.405 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.934 8.199 -7.265 1.00 0.00 C ATOM 409 CE3 TRP A 43 8.258 9.690 -6.369 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.747 9.267 -7.638 1.00 0.00 C ATOM 411 CZ3 TRP A 43 9.068 10.747 -6.739 1.00 0.00 C ATOM 412 CH2 TRP A 43 10.299 10.530 -7.369 1.00 0.00 C ATOM 0 H TRP A 43 8.222 6.061 -3.782 1.00 0.00 H new ATOM 0 HA TRP A 43 6.778 8.489 -4.438 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.701 5.705 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.009 7.155 -6.353 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.927 5.115 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.941 6.410 -7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.308 9.868 -5.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.698 9.103 -8.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.746 11.758 -6.539 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.907 11.378 -7.648 1.00 0.00 H new ATOM 423 N ALA A 44 4.457 8.026 -3.749 1.00 0.00 N ATOM 424 CA ALA A 44 3.143 7.866 -3.157 1.00 0.00 C ATOM 425 C ALA A 44 2.267 6.974 -4.027 1.00 0.00 C ATOM 426 O ALA A 44 2.253 7.108 -5.253 1.00 0.00 O ATOM 427 CB ALA A 44 2.487 9.224 -2.966 1.00 0.00 C ATOM 0 H ALA A 44 4.604 8.927 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 44 3.258 7.389 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.501 9.092 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.103 9.836 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.386 9.718 -3.932 1.00 0.00 H new ATOM 433 N VAL A 45 1.545 6.066 -3.396 1.00 0.00 N ATOM 434 CA VAL A 45 0.668 5.157 -4.112 1.00 0.00 C ATOM 435 C VAL A 45 -0.779 5.371 -3.670 1.00 0.00 C ATOM 436 O VAL A 45 -1.033 5.757 -2.524 1.00 0.00 O ATOM 437 CB VAL A 45 1.088 3.689 -3.882 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.766 3.238 -2.468 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.440 2.773 -4.901 1.00 0.00 C ATOM 0 H VAL A 45 1.549 5.938 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 45 0.749 5.368 -5.178 1.00 0.00 H new ATOM 0 HB VAL A 45 2.169 3.630 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.074 2.200 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.300 3.867 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.307 3.323 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.752 1.745 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.644 2.844 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.745 3.071 -5.904 1.00 0.00 H new ATOM 449 N ARG A 46 -1.719 5.146 -4.578 1.00 0.00 N ATOM 450 CA ARG A 46 -3.124 5.375 -4.275 1.00 0.00 C ATOM 451 C ARG A 46 -3.764 4.123 -3.681 1.00 0.00 C ATOM 452 O ARG A 46 -3.431 2.999 -4.062 1.00 0.00 O ATOM 453 CB ARG A 46 -3.891 5.832 -5.531 1.00 0.00 C ATOM 454 CG ARG A 46 -4.591 4.719 -6.320 1.00 0.00 C ATOM 455 CD ARG A 46 -3.620 3.786 -7.036 1.00 0.00 C ATOM 456 NE ARG A 46 -4.330 2.692 -7.703 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.878 2.039 -8.773 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.726 2.382 -9.326 1.00 0.00 N ATOM 459 NH2 ARG A 46 -4.589 1.044 -9.293 1.00 0.00 N ATOM 0 H ARG A 46 -1.536 4.808 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.181 6.172 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.639 6.566 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.193 6.341 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.210 4.135 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.260 5.169 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.044 4.350 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.909 3.377 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.233 2.410 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.180 3.149 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.384 1.879 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.480 0.780 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.243 0.544 -10.112 1.00 0.00 H new ATOM 473 N PHE A 47 -4.661 4.325 -2.735 1.00 0.00 N ATOM 474 CA PHE A 47 -5.448 3.238 -2.182 1.00 0.00 C ATOM 475 C PHE A 47 -6.920 3.603 -2.233 1.00 0.00 C ATOM 476 O PHE A 47 -7.282 4.759 -2.030 1.00 0.00 O ATOM 477 CB PHE A 47 -5.031 2.938 -0.747 1.00 0.00 C ATOM 478 CG PHE A 47 -3.669 2.325 -0.632 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.409 1.087 -1.190 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.655 2.981 0.042 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.161 0.512 -1.080 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.405 2.409 0.158 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.158 1.173 -0.404 1.00 0.00 C ATOM 0 H PHE A 47 -4.864 5.239 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.274 2.342 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.054 3.863 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.762 2.265 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.193 0.564 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.843 3.949 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.970 -0.454 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.620 2.928 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.180 0.724 -0.314 1.00 0.00 H new ATOM 493 N TYR A 48 -7.761 2.621 -2.501 1.00 0.00 N ATOM 494 CA TYR A 48 -9.180 2.865 -2.697 1.00 0.00 C ATOM 495 C TYR A 48 -9.989 1.637 -2.323 1.00 0.00 C ATOM 496 O TYR A 48 -9.473 0.523 -2.313 1.00 0.00 O ATOM 497 CB TYR A 48 -9.451 3.246 -4.159 1.00 0.00 C ATOM 498 CG TYR A 48 -8.900 2.259 -5.167 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.595 2.367 -5.629 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.682 1.217 -5.650 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.086 1.470 -6.543 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.176 0.313 -6.568 1.00 0.00 C ATOM 503 CZ TYR A 48 -7.876 0.446 -7.009 1.00 0.00 C ATOM 504 OH TYR A 48 -7.361 -0.450 -7.917 1.00 0.00 O ATOM 0 H TYR A 48 -7.485 1.643 -2.588 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.482 3.690 -2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.527 3.337 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.019 4.227 -4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.968 3.168 -5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.700 1.111 -5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.069 1.571 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.795 -0.491 -6.937 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.045 -1.113 -8.146 1.00 0.00 H new ATOM 514 N GLU A 49 -11.250 1.857 -1.993 1.00 0.00 N ATOM 515 CA GLU A 49 -12.178 0.765 -1.758 1.00 0.00 C ATOM 516 C GLU A 49 -13.029 0.576 -2.999 1.00 0.00 C ATOM 517 O GLU A 49 -13.572 1.542 -3.539 1.00 0.00 O ATOM 518 CB GLU A 49 -13.087 1.035 -0.550 1.00 0.00 C ATOM 519 CG GLU A 49 -13.944 2.283 -0.696 1.00 0.00 C ATOM 520 CD GLU A 49 -15.033 2.383 0.352 1.00 0.00 C ATOM 521 OE1 GLU A 49 -16.132 1.833 0.132 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.803 3.032 1.391 1.00 0.00 O ATOM 0 H GLU A 49 -11.656 2.786 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.602 -0.135 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.738 0.174 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.470 1.131 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.306 3.164 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.399 2.290 -1.686 1.00 0.00 H new ATOM 529 N GLU A 50 -13.128 -0.647 -3.474 1.00 0.00 N ATOM 530 CA GLU A 50 -14.000 -0.924 -4.589 1.00 0.00 C ATOM 531 C GLU A 50 -15.051 -1.943 -4.200 1.00 0.00 C ATOM 532 O GLU A 50 -14.798 -3.148 -4.131 1.00 0.00 O ATOM 533 CB GLU A 50 -13.223 -1.379 -5.825 1.00 0.00 C ATOM 534 CG GLU A 50 -12.290 -2.550 -5.605 1.00 0.00 C ATOM 535 CD GLU A 50 -11.849 -3.159 -6.914 1.00 0.00 C ATOM 536 OE1 GLU A 50 -11.222 -2.445 -7.720 1.00 0.00 O ATOM 537 OE2 GLU A 50 -12.174 -4.341 -7.162 1.00 0.00 O ATOM 0 H GLU A 50 -12.622 -1.454 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.501 0.007 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.936 -1.645 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.641 -0.537 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.416 -2.220 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.790 -3.307 -5.001 1.00 0.00 H new ATOM 544 N LYS A 51 -16.229 -1.431 -3.930 1.00 0.00 N ATOM 545 CA LYS A 51 -17.376 -2.260 -3.646 1.00 0.00 C ATOM 546 C LYS A 51 -18.009 -2.649 -4.973 1.00 0.00 C ATOM 547 O LYS A 51 -18.019 -1.843 -5.905 1.00 0.00 O ATOM 548 CB LYS A 51 -18.356 -1.482 -2.766 1.00 0.00 C ATOM 549 CG LYS A 51 -17.710 -0.894 -1.515 1.00 0.00 C ATOM 550 CD LYS A 51 -17.305 -1.977 -0.527 1.00 0.00 C ATOM 551 CE LYS A 51 -16.491 -1.410 0.628 1.00 0.00 C ATOM 552 NZ LYS A 51 -17.178 -0.276 1.296 1.00 0.00 N ATOM 0 H LYS A 51 -16.419 -0.429 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.090 -3.163 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.797 -0.676 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.170 -2.143 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.832 -0.313 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.406 -0.206 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.198 -2.466 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.722 -2.740 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.301 -2.198 1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.521 -1.078 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.805 -0.164 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.011 0.597 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.200 -0.466 1.340 1.00 0.00 H new ATOM 566 N PRO A 52 -18.495 -3.895 -5.099 1.00 0.00 N ATOM 567 CA PRO A 52 -19.029 -4.417 -6.362 1.00 0.00 C ATOM 568 C PRO A 52 -20.035 -3.473 -7.017 1.00 0.00 C ATOM 569 O PRO A 52 -21.097 -3.190 -6.459 1.00 0.00 O ATOM 570 CB PRO A 52 -19.707 -5.720 -5.945 1.00 0.00 C ATOM 571 CG PRO A 52 -18.945 -6.162 -4.744 1.00 0.00 C ATOM 572 CD PRO A 52 -18.559 -4.900 -4.021 1.00 0.00 C ATOM 0 HA PRO A 52 -18.246 -4.545 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.760 -5.564 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.663 -6.464 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.553 -6.807 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.063 -6.736 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.294 -4.630 -3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.601 -5.005 -3.512 1.00 0.00 H new ATOM 580 N GLY A 53 -19.681 -2.982 -8.200 1.00 0.00 N ATOM 581 CA GLY A 53 -20.563 -2.104 -8.944 1.00 0.00 C ATOM 582 C GLY A 53 -20.328 -0.636 -8.652 1.00 0.00 C ATOM 583 O GLY A 53 -20.517 0.216 -9.519 1.00 0.00 O ATOM 0 H GLY A 53 -18.792 -3.179 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -20.427 -2.282 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -21.597 -2.354 -8.708 1.00 0.00 H new ATOM 587 N GLN A 54 -19.896 -0.347 -7.437 1.00 0.00 N ATOM 588 CA GLN A 54 -19.752 1.025 -6.971 1.00 0.00 C ATOM 589 C GLN A 54 -18.424 1.625 -7.422 1.00 0.00 C ATOM 590 O GLN A 54 -17.454 0.902 -7.657 1.00 0.00 O ATOM 591 CB GLN A 54 -19.826 1.066 -5.446 1.00 0.00 C ATOM 592 CG GLN A 54 -21.108 0.495 -4.874 1.00 0.00 C ATOM 593 CD GLN A 54 -21.114 0.516 -3.358 1.00 0.00 C ATOM 594 OE1 GLN A 54 -20.509 1.389 -2.731 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.789 -0.446 -2.755 1.00 0.00 N ATOM 0 H GLN A 54 -19.636 -1.052 -6.747 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.564 1.611 -7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.980 0.513 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.722 2.099 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.958 1.067 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.235 -0.530 -5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.277 -1.151 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.822 -0.484 -1.736 1.00 0.00 H new ATOM 604 N PRO A 55 -18.373 2.960 -7.563 1.00 0.00 N ATOM 605 CA PRO A 55 -17.124 3.680 -7.815 1.00 0.00 C ATOM 606 C PRO A 55 -16.177 3.571 -6.628 1.00 0.00 C ATOM 607 O PRO A 55 -16.607 3.404 -5.483 1.00 0.00 O ATOM 608 CB PRO A 55 -17.571 5.126 -8.030 1.00 0.00 C ATOM 609 CG PRO A 55 -18.893 5.224 -7.349 1.00 0.00 C ATOM 610 CD PRO A 55 -19.530 3.872 -7.498 1.00 0.00 C ATOM 0 HA PRO A 55 -16.574 3.279 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.854 5.828 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.655 5.360 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.773 5.486 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.510 5.999 -7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.180 3.638 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.141 3.812 -8.398 1.00 0.00 H new ATOM 618 N LYS A 56 -14.897 3.689 -6.905 1.00 0.00 N ATOM 619 CA LYS A 56 -13.869 3.367 -5.934 1.00 0.00 C ATOM 620 C LYS A 56 -13.425 4.612 -5.176 1.00 0.00 C ATOM 621 O LYS A 56 -13.034 5.614 -5.777 1.00 0.00 O ATOM 622 CB LYS A 56 -12.703 2.715 -6.670 1.00 0.00 C ATOM 623 CG LYS A 56 -13.157 1.571 -7.570 1.00 0.00 C ATOM 624 CD LYS A 56 -12.188 1.327 -8.709 1.00 0.00 C ATOM 625 CE LYS A 56 -12.712 0.287 -9.691 1.00 0.00 C ATOM 626 NZ LYS A 56 -13.038 -1.008 -9.036 1.00 0.00 N ATOM 0 H LYS A 56 -14.538 4.009 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.263 2.673 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.189 3.466 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.982 2.340 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.257 0.661 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.143 1.798 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.005 2.263 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.231 0.995 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.604 0.675 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.966 0.119 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.076 -1.760 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.305 -1.236 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.961 -0.935 -8.562 1.00 0.00 H new ATOM 640 N ARG A 57 -13.480 4.535 -3.853 1.00 0.00 N ATOM 641 CA ARG A 57 -13.206 5.684 -3.000 1.00 0.00 C ATOM 642 C ARG A 57 -11.753 5.680 -2.564 1.00 0.00 C ATOM 643 O ARG A 57 -11.290 4.703 -1.984 1.00 0.00 O ATOM 644 CB ARG A 57 -14.095 5.641 -1.754 1.00 0.00 C ATOM 645 CG ARG A 57 -14.102 6.935 -0.952 1.00 0.00 C ATOM 646 CD ARG A 57 -14.229 6.669 0.542 1.00 0.00 C ATOM 647 NE ARG A 57 -15.209 5.626 0.838 1.00 0.00 N ATOM 648 CZ ARG A 57 -16.438 5.848 1.292 1.00 0.00 C ATOM 649 NH1 ARG A 57 -16.861 7.086 1.529 1.00 0.00 N ATOM 650 NH2 ARG A 57 -17.241 4.818 1.523 1.00 0.00 N ATOM 0 H ARG A 57 -13.714 3.682 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.415 6.589 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.116 5.408 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.760 4.828 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.184 7.489 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.929 7.563 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.258 6.376 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.517 7.590 1.050 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.929 4.657 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.240 7.878 1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.807 7.244 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.913 3.867 1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.186 4.977 1.872 1.00 0.00 H new ATOM 664 N LEU A 58 -11.040 6.761 -2.848 1.00 0.00 N ATOM 665 CA LEU A 58 -9.663 6.914 -2.407 1.00 0.00 C ATOM 666 C LEU A 58 -9.608 6.890 -0.879 1.00 0.00 C ATOM 667 O LEU A 58 -9.951 7.872 -0.219 1.00 0.00 O ATOM 668 CB LEU A 58 -9.104 8.231 -2.948 1.00 0.00 C ATOM 669 CG LEU A 58 -7.697 8.164 -3.543 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.365 9.475 -4.228 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.665 7.849 -2.474 1.00 0.00 C ATOM 0 H LEU A 58 -11.397 7.550 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.057 6.092 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.784 8.605 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.101 8.962 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.672 7.360 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.361 9.421 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.084 9.661 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.410 10.287 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.674 7.808 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.683 8.626 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.896 6.887 -2.018 1.00 0.00 H new ATOM 683 N VAL A 59 -9.187 5.761 -0.325 1.00 0.00 N ATOM 684 CA VAL A 59 -9.248 5.553 1.115 1.00 0.00 C ATOM 685 C VAL A 59 -8.009 6.070 1.822 1.00 0.00 C ATOM 686 O VAL A 59 -8.041 6.286 3.028 1.00 0.00 O ATOM 687 CB VAL A 59 -9.439 4.068 1.486 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.737 3.531 0.908 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.252 3.234 1.028 1.00 0.00 C ATOM 0 H VAL A 59 -8.800 4.977 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.117 6.120 1.449 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.497 3.996 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.851 2.482 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.576 4.103 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.717 3.622 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.413 2.191 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.148 3.313 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.344 3.599 1.507 1.00 0.00 H new ATOM 699 N ALA A 60 -6.918 6.247 1.076 1.00 0.00 N ATOM 700 CA ALA A 60 -5.678 6.753 1.650 1.00 0.00 C ATOM 701 C ALA A 60 -4.592 6.894 0.595 1.00 0.00 C ATOM 702 O ALA A 60 -4.532 6.124 -0.365 1.00 0.00 O ATOM 703 CB ALA A 60 -5.190 5.844 2.769 1.00 0.00 C ATOM 0 H ALA A 60 -6.871 6.047 0.077 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.891 7.741 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.263 6.241 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.945 5.795 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.011 4.844 2.374 1.00 0.00 H new ATOM 709 N ILE A 61 -3.748 7.890 0.776 1.00 0.00 N ATOM 710 CA ILE A 61 -2.558 8.040 -0.036 1.00 0.00 C ATOM 711 C ILE A 61 -1.357 7.691 0.826 1.00 0.00 C ATOM 712 O ILE A 61 -1.124 8.328 1.850 1.00 0.00 O ATOM 713 CB ILE A 61 -2.382 9.474 -0.590 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.621 9.926 -1.374 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.147 9.539 -1.473 1.00 0.00 C ATOM 716 CD1 ILE A 61 -4.731 10.478 -0.505 1.00 0.00 C ATOM 0 H ILE A 61 -3.867 8.613 1.485 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.651 7.377 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.257 10.152 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.324 10.688 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.006 9.081 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.029 10.551 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.267 9.269 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.257 8.843 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.571 10.775 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.057 9.712 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.365 11.345 0.046 1.00 0.00 H new ATOM 728 N CYS A 62 -0.614 6.671 0.441 1.00 0.00 N ATOM 729 CA CYS A 62 0.455 6.178 1.291 1.00 0.00 C ATOM 730 C CYS A 62 1.732 5.952 0.497 1.00 0.00 C ATOM 731 O CYS A 62 1.695 5.671 -0.698 1.00 0.00 O ATOM 732 CB CYS A 62 0.013 4.887 1.981 1.00 0.00 C ATOM 733 SG CYS A 62 1.039 4.427 3.409 1.00 0.00 S ATOM 0 H CYS A 62 -0.727 6.173 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 62 0.669 6.932 2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.021 4.997 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.032 4.074 1.255 1.00 0.00 H new ATOM 738 N LYS A 63 2.860 6.092 1.169 1.00 0.00 N ATOM 739 CA LYS A 63 4.156 5.897 0.550 1.00 0.00 C ATOM 740 C LYS A 63 5.115 5.310 1.571 1.00 0.00 C ATOM 741 O LYS A 63 4.854 5.355 2.768 1.00 0.00 O ATOM 742 CB LYS A 63 4.688 7.228 0.013 1.00 0.00 C ATOM 743 CG LYS A 63 4.985 8.256 1.093 1.00 0.00 C ATOM 744 CD LYS A 63 5.370 9.592 0.487 1.00 0.00 C ATOM 745 CE LYS A 63 4.148 10.362 0.011 1.00 0.00 C ATOM 746 NZ LYS A 63 4.515 11.643 -0.644 1.00 0.00 N ATOM 0 H LYS A 63 2.903 6.343 2.157 1.00 0.00 H new ATOM 0 HA LYS A 63 4.061 5.206 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.599 7.041 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.959 7.646 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.110 8.381 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.793 7.896 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.910 10.185 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.048 9.431 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.582 9.747 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.494 10.563 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.652 12.135 -0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.032 12.242 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.118 11.451 -1.469 1.00 0.00 H new ATOM 760 N ASN A 64 6.214 4.749 1.104 1.00 0.00 N ATOM 761 CA ASN A 64 7.168 4.116 2.001 1.00 0.00 C ATOM 762 C ASN A 64 8.058 5.163 2.655 1.00 0.00 C ATOM 763 O ASN A 64 8.479 6.110 1.991 1.00 0.00 O ATOM 764 CB ASN A 64 8.015 3.080 1.256 1.00 0.00 C ATOM 765 CG ASN A 64 9.082 2.459 2.136 1.00 0.00 C ATOM 766 OD1 ASN A 64 8.840 1.484 2.843 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.275 3.019 2.091 1.00 0.00 N ATOM 0 H ASN A 64 6.469 4.717 0.117 1.00 0.00 H new ATOM 0 HA ASN A 64 6.610 3.598 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.365 2.295 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.489 3.554 0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.036 2.643 2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.436 3.828 1.491 1.00 0.00 H new ATOM 774 N ALA A 65 8.314 4.979 3.950 1.00 0.00 N ATOM 775 CA ALA A 65 9.066 5.935 4.767 1.00 0.00 C ATOM 776 C ALA A 65 10.284 6.502 4.039 1.00 0.00 C ATOM 777 O ALA A 65 10.414 7.719 3.887 1.00 0.00 O ATOM 778 CB ALA A 65 9.507 5.272 6.063 1.00 0.00 C ATOM 0 H ALA A 65 8.003 4.156 4.467 1.00 0.00 H new ATOM 0 HA ALA A 65 8.398 6.770 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.066 5.988 6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.630 4.937 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.142 4.415 5.836 1.00 0.00 H new ATOM 784 N SER A 66 11.170 5.622 3.606 1.00 0.00 N ATOM 785 CA SER A 66 12.370 6.037 2.906 1.00 0.00 C ATOM 786 C SER A 66 12.134 6.015 1.401 1.00 0.00 C ATOM 787 O SER A 66 11.489 5.108 0.877 1.00 0.00 O ATOM 788 CB SER A 66 13.539 5.114 3.271 1.00 0.00 C ATOM 789 OG SER A 66 14.720 5.463 2.565 1.00 0.00 O ATOM 0 H SER A 66 11.079 4.613 3.728 1.00 0.00 H new ATOM 0 HA SER A 66 12.618 7.055 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.726 5.169 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.272 4.081 3.047 1.00 0.00 H new ATOM 0 HG SER A 66 15.480 4.967 2.934 1.00 0.00 H new ATOM 795 N PRO A 67 12.630 7.036 0.690 1.00 0.00 N ATOM 796 CA PRO A 67 12.591 7.072 -0.771 1.00 0.00 C ATOM 797 C PRO A 67 13.644 6.160 -1.390 1.00 0.00 C ATOM 798 O PRO A 67 13.750 6.056 -2.611 1.00 0.00 O ATOM 799 CB PRO A 67 12.893 8.537 -1.092 1.00 0.00 C ATOM 800 CG PRO A 67 13.729 9.005 0.045 1.00 0.00 C ATOM 801 CD PRO A 67 13.243 8.253 1.256 1.00 0.00 C ATOM 0 HA PRO A 67 11.638 6.724 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.422 8.634 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.977 9.121 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.785 8.806 -0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.627 10.081 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.063 8.011 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.521 8.837 1.827 1.00 0.00 H new ATOM 809 N VAL A 68 14.421 5.506 -0.533 1.00 0.00 N ATOM 810 CA VAL A 68 15.479 4.613 -0.981 1.00 0.00 C ATOM 811 C VAL A 68 15.184 3.173 -0.564 1.00 0.00 C ATOM 812 O VAL A 68 14.936 2.312 -1.407 1.00 0.00 O ATOM 813 CB VAL A 68 16.855 5.026 -0.419 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.960 4.261 -1.128 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.073 6.528 -0.548 1.00 0.00 C ATOM 0 H VAL A 68 14.336 5.580 0.481 1.00 0.00 H new ATOM 0 HA VAL A 68 15.511 4.683 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 68 16.880 4.777 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.927 4.560 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.818 3.191 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.929 4.482 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.051 6.790 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.027 6.813 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.298 7.057 0.006 1.00 0.00 H new ATOM 825 N HIS A 69 15.199 2.919 0.741 1.00 0.00 N ATOM 826 CA HIS A 69 14.979 1.571 1.258 1.00 0.00 C ATOM 827 C HIS A 69 13.533 1.411 1.698 1.00 0.00 C ATOM 828 O HIS A 69 12.832 2.399 1.899 1.00 0.00 O ATOM 829 CB HIS A 69 15.884 1.272 2.458 1.00 0.00 C ATOM 830 CG HIS A 69 17.354 1.415 2.195 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.189 0.338 1.994 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.140 2.515 2.122 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.422 0.768 1.808 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.419 2.085 1.878 1.00 0.00 N ATOM 0 H HIS A 69 15.361 3.626 1.458 1.00 0.00 H new ATOM 0 HA HIS A 69 15.214 0.874 0.454 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.610 1.939 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.688 0.255 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.819 3.540 2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.287 0.147 1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.236 2.686 1.768 1.00 0.00 H new ATOM 843 N CYS A 70 13.103 0.171 1.876 1.00 0.00 N ATOM 844 CA CYS A 70 11.737 -0.115 2.307 1.00 0.00 C ATOM 845 C CYS A 70 11.700 -0.394 3.805 1.00 0.00 C ATOM 846 O CYS A 70 12.377 -1.302 4.292 1.00 0.00 O ATOM 847 CB CYS A 70 11.154 -1.302 1.535 1.00 0.00 C ATOM 848 SG CYS A 70 10.937 -0.994 -0.231 1.00 0.00 S ATOM 0 H CYS A 70 13.680 -0.657 1.729 1.00 0.00 H new ATOM 0 HA CYS A 70 11.126 0.763 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.809 -2.164 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.189 -1.566 1.969 1.00 0.00 H new ATOM 0 HG CYS A 70 9.683 -1.129 -0.544 1.00 0.00 H new ATOM 854 N ASN A 71 10.906 0.390 4.526 1.00 0.00 N ATOM 855 CA ASN A 71 10.831 0.277 5.980 1.00 0.00 C ATOM 856 C ASN A 71 9.390 0.065 6.417 1.00 0.00 C ATOM 857 O ASN A 71 8.968 -1.054 6.708 1.00 0.00 O ATOM 858 CB ASN A 71 11.371 1.542 6.667 1.00 0.00 C ATOM 859 CG ASN A 71 12.787 1.909 6.259 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.589 1.055 5.892 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.110 3.193 6.353 1.00 0.00 N ATOM 0 H ASN A 71 10.305 1.111 4.128 1.00 0.00 H new ATOM 0 HA ASN A 71 11.442 -0.576 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.710 2.378 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.341 1.398 7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.053 3.500 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.415 3.872 6.662 1.00 0.00 H new ATOM 868 N TYR A 72 8.648 1.162 6.459 1.00 0.00 N ATOM 869 CA TYR A 72 7.239 1.145 6.818 1.00 0.00 C ATOM 870 C TYR A 72 6.486 2.086 5.893 1.00 0.00 C ATOM 871 O TYR A 72 7.100 2.805 5.100 1.00 0.00 O ATOM 872 CB TYR A 72 7.033 1.593 8.268 1.00 0.00 C ATOM 873 CG TYR A 72 7.746 0.742 9.296 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.199 -0.458 9.731 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.959 1.144 9.837 1.00 0.00 C ATOM 876 CE1 TYR A 72 7.842 -1.237 10.674 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.608 0.374 10.782 1.00 0.00 C ATOM 878 CZ TYR A 72 9.045 -0.816 11.195 1.00 0.00 C ATOM 879 OH TYR A 72 9.687 -1.585 12.140 1.00 0.00 O ATOM 0 H TYR A 72 9.008 2.092 6.244 1.00 0.00 H new ATOM 0 HA TYR A 72 6.865 0.126 6.718 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.374 2.623 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.965 1.588 8.488 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.254 -0.788 9.325 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.403 2.074 9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.404 -2.169 11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.551 0.701 11.195 1.00 0.00 H new ATOM 0 HH TYR A 72 10.524 -1.148 12.404 1.00 0.00 H new ATOM 889 N LEU A 73 5.171 2.100 6.006 1.00 0.00 N ATOM 890 CA LEU A 73 4.350 2.940 5.150 1.00 0.00 C ATOM 891 C LEU A 73 3.833 4.162 5.901 1.00 0.00 C ATOM 892 O LEU A 73 3.249 4.049 6.979 1.00 0.00 O ATOM 893 CB LEU A 73 3.175 2.150 4.571 1.00 0.00 C ATOM 894 CG LEU A 73 3.539 1.108 3.511 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.280 0.525 2.889 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.436 1.718 2.441 1.00 0.00 C ATOM 0 H LEU A 73 4.648 1.541 6.680 1.00 0.00 H new ATOM 0 HA LEU A 73 4.982 3.281 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.661 1.646 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.466 2.854 4.135 1.00 0.00 H new ATOM 0 HG LEU A 73 4.090 0.302 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.555 -0.215 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.678 0.049 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.703 1.322 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.683 0.960 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.915 2.545 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.353 2.086 2.901 1.00 0.00 H new ATOM 908 N LYS A 74 4.067 5.328 5.320 1.00 0.00 N ATOM 909 CA LYS A 74 3.557 6.579 5.859 1.00 0.00 C ATOM 910 C LYS A 74 2.382 7.049 5.016 1.00 0.00 C ATOM 911 O LYS A 74 2.554 7.519 3.887 1.00 0.00 O ATOM 912 CB LYS A 74 4.651 7.652 5.899 1.00 0.00 C ATOM 913 CG LYS A 74 5.478 7.651 7.182 1.00 0.00 C ATOM 914 CD LYS A 74 6.206 6.334 7.396 1.00 0.00 C ATOM 915 CE LYS A 74 6.954 6.321 8.721 1.00 0.00 C ATOM 916 NZ LYS A 74 6.037 6.410 9.890 1.00 0.00 N ATOM 0 H LYS A 74 4.613 5.434 4.465 1.00 0.00 H new ATOM 0 HA LYS A 74 3.225 6.409 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.318 7.507 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.189 8.632 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.204 8.463 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.825 7.846 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.490 5.513 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.908 6.168 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.543 5.407 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.655 7.155 8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.555 6.162 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.671 7.380 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.244 5.750 9.760 1.00 0.00 H new ATOM 930 N CYS A 75 1.190 6.900 5.563 1.00 0.00 N ATOM 931 CA CYS A 75 -0.032 7.165 4.824 1.00 0.00 C ATOM 932 C CYS A 75 -0.679 8.464 5.277 1.00 0.00 C ATOM 933 O CYS A 75 -0.352 8.996 6.338 1.00 0.00 O ATOM 934 CB CYS A 75 -1.017 6.019 5.034 1.00 0.00 C ATOM 935 SG CYS A 75 -0.268 4.358 4.963 1.00 0.00 S ATOM 0 H CYS A 75 1.041 6.594 6.525 1.00 0.00 H new ATOM 0 HA CYS A 75 0.225 7.253 3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.501 6.145 6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.798 6.084 4.277 1.00 0.00 H new ATOM 940 N THR A 76 -1.592 8.970 4.461 1.00 0.00 N ATOM 941 CA THR A 76 -2.383 10.122 4.827 1.00 0.00 C ATOM 942 C THR A 76 -3.796 9.974 4.266 1.00 0.00 C ATOM 943 O THR A 76 -4.010 9.219 3.313 1.00 0.00 O ATOM 944 CB THR A 76 -1.740 11.434 4.318 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.412 12.570 4.880 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.781 11.517 2.798 1.00 0.00 C ATOM 0 H THR A 76 -1.800 8.593 3.536 1.00 0.00 H new ATOM 0 HA THR A 76 -2.427 10.175 5.915 1.00 0.00 H new ATOM 0 HB THR A 76 -0.697 11.436 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.266 12.706 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.322 12.450 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.234 10.675 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.817 11.485 2.460 1.00 0.00 H new ATOM 954 N ASN A 77 -4.744 10.685 4.871 1.00 0.00 N ATOM 955 CA ASN A 77 -6.145 10.659 4.442 1.00 0.00 C ATOM 956 C ASN A 77 -6.742 9.263 4.581 1.00 0.00 C ATOM 957 O ASN A 77 -7.400 8.780 3.669 1.00 0.00 O ATOM 958 CB ASN A 77 -6.296 11.134 2.987 1.00 0.00 C ATOM 959 CG ASN A 77 -6.038 12.617 2.804 1.00 0.00 C ATOM 960 OD1 ASN A 77 -5.254 13.223 3.534 1.00 0.00 O ATOM 961 ND2 ASN A 77 -6.701 13.212 1.822 1.00 0.00 N ATOM 0 H ASN A 77 -4.567 11.294 5.670 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.687 11.343 5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.606 10.573 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.303 10.903 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.570 14.209 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.342 12.673 1.240 1.00 0.00 H new ATOM 968 N LEU A 78 -6.512 8.628 5.727 1.00 0.00 N ATOM 969 CA LEU A 78 -7.026 7.283 5.983 1.00 0.00 C ATOM 970 C LEU A 78 -8.550 7.298 6.085 1.00 0.00 C ATOM 971 O LEU A 78 -9.135 8.278 6.551 1.00 0.00 O ATOM 972 CB LEU A 78 -6.434 6.732 7.282 1.00 0.00 C ATOM 973 CG LEU A 78 -4.909 6.604 7.304 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.429 6.139 8.668 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.446 5.640 6.228 1.00 0.00 C ATOM 0 H LEU A 78 -5.971 9.024 6.496 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.734 6.643 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.740 7.379 8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.867 5.750 7.471 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.480 7.586 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.342 6.055 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.733 6.861 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.867 5.167 8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.359 5.559 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.888 4.659 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.758 6.008 5.251 1.00 0.00 H new ATOM 987 N ALA A 79 -9.186 6.209 5.666 1.00 0.00 N ATOM 988 CA ALA A 79 -10.640 6.118 5.684 1.00 0.00 C ATOM 989 C ALA A 79 -11.127 5.177 6.782 1.00 0.00 C ATOM 990 O ALA A 79 -11.623 4.083 6.503 1.00 0.00 O ATOM 991 CB ALA A 79 -11.157 5.670 4.325 1.00 0.00 C ATOM 0 H ALA A 79 -8.716 5.377 5.310 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.036 7.110 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.245 5.606 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.855 6.391 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.742 4.692 4.082 1.00 0.00 H new ATOM 997 N ALA A 80 -10.964 5.615 8.027 1.00 0.00 N ATOM 998 CA ALA A 80 -11.454 4.897 9.207 1.00 0.00 C ATOM 999 C ALA A 80 -10.904 3.472 9.305 1.00 0.00 C ATOM 1000 O ALA A 80 -9.811 3.256 9.835 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.976 4.892 9.236 1.00 0.00 C ATOM 0 H ALA A 80 -10.484 6.487 8.251 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.084 5.434 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.321 4.354 10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.343 5.918 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.355 4.400 8.340 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.652 2.507 8.778 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.241 1.119 8.857 1.00 0.00 C ATOM 1009 C GLY A 81 -10.256 0.751 7.766 1.00 0.00 C ATOM 1010 O GLY A 81 -9.726 -0.361 7.742 1.00 0.00 O ATOM 0 H GLY A 81 -12.538 2.664 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.789 0.930 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.119 0.477 8.783 1.00 0.00 H new ATOM 1014 N PHE A 82 -10.021 1.688 6.858 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.063 1.494 5.785 1.00 0.00 C ATOM 1016 C PHE A 82 -7.737 2.153 6.130 1.00 0.00 C ATOM 1017 O PHE A 82 -7.640 3.379 6.236 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.605 2.056 4.471 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.831 1.347 3.967 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.718 0.229 3.156 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.095 1.801 4.304 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.846 -0.423 2.692 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.227 1.154 3.843 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.101 0.040 3.036 1.00 0.00 C ATOM 0 H PHE A 82 -10.486 2.596 6.846 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.900 0.423 5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.838 3.112 4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.825 1.997 3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.739 -0.137 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.198 2.671 4.935 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.746 -1.294 2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.207 1.519 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.983 -0.468 2.674 1.00 0.00 H new ATOM 1034 N SER A 83 -6.726 1.331 6.324 1.00 0.00 N ATOM 1035 CA SER A 83 -5.382 1.804 6.603 1.00 0.00 C ATOM 1036 C SER A 83 -4.396 0.933 5.849 1.00 0.00 C ATOM 1037 O SER A 83 -4.779 -0.095 5.308 1.00 0.00 O ATOM 1038 CB SER A 83 -5.105 1.747 8.105 1.00 0.00 C ATOM 1039 OG SER A 83 -6.099 2.450 8.835 1.00 0.00 O ATOM 0 H SER A 83 -6.811 0.315 6.293 1.00 0.00 H new ATOM 0 HA SER A 83 -5.278 2.840 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.075 0.708 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.125 2.176 8.314 1.00 0.00 H new ATOM 0 HG SER A 83 -5.900 2.397 9.793 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.143 1.329 5.794 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.162 0.561 5.047 1.00 0.00 C ATOM 1047 C ALA A 84 -1.212 -0.156 5.993 1.00 0.00 C ATOM 1048 O ALA A 84 -1.026 0.260 7.140 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.390 1.456 4.093 1.00 0.00 C ATOM 0 H ALA A 84 -2.779 2.166 6.250 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.692 -0.188 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.661 0.860 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.081 1.921 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.873 2.231 4.659 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.606 -1.224 5.500 1.00 0.00 N ATOM 1056 CA GLY A 85 0.223 -2.065 6.339 1.00 0.00 C ATOM 1057 C GLY A 85 1.678 -2.067 5.917 1.00 0.00 C ATOM 1058 O GLY A 85 2.321 -1.023 5.875 1.00 0.00 O ATOM 0 H GLY A 85 -0.674 -1.526 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.150 -1.724 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.159 -3.085 6.312 1.00 0.00 H new ATOM 1062 N THR A 86 2.191 -3.244 5.597 1.00 0.00 N ATOM 1063 CA THR A 86 3.593 -3.405 5.240 1.00 0.00 C ATOM 1064 C THR A 86 3.727 -3.735 3.748 1.00 0.00 C ATOM 1065 O THR A 86 2.757 -3.629 2.996 1.00 0.00 O ATOM 1066 CB THR A 86 4.233 -4.528 6.096 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.657 -4.559 5.917 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.643 -5.888 5.741 1.00 0.00 C ATOM 0 H THR A 86 1.652 -4.110 5.577 1.00 0.00 H new ATOM 0 HA THR A 86 4.116 -2.469 5.438 1.00 0.00 H new ATOM 0 HB THR A 86 4.012 -4.310 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.989 -3.648 5.778 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.109 -6.658 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.569 -5.878 5.925 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.829 -6.102 4.688 1.00 0.00 H new ATOM 1076 N SER A 87 4.923 -4.116 3.328 1.00 0.00 N ATOM 1077 CA SER A 87 5.161 -4.533 1.955 1.00 0.00 C ATOM 1078 C SER A 87 5.794 -5.922 1.937 1.00 0.00 C ATOM 1079 O SER A 87 6.623 -6.238 2.789 1.00 0.00 O ATOM 1080 CB SER A 87 6.062 -3.517 1.254 1.00 0.00 C ATOM 1081 OG SER A 87 7.212 -3.231 2.031 1.00 0.00 O ATOM 0 H SER A 87 5.750 -4.145 3.924 1.00 0.00 H new ATOM 0 HA SER A 87 4.212 -4.580 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.364 -3.905 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.505 -2.598 1.072 1.00 0.00 H new ATOM 0 HG SER A 87 7.772 -2.580 1.559 1.00 0.00 H new ATOM 1087 N THR A 88 5.417 -6.747 0.967 1.00 0.00 N ATOM 1088 CA THR A 88 5.868 -8.133 0.932 1.00 0.00 C ATOM 1089 C THR A 88 6.188 -8.569 -0.494 1.00 0.00 C ATOM 1090 O THR A 88 6.515 -7.739 -1.344 1.00 0.00 O ATOM 1091 CB THR A 88 4.793 -9.077 1.497 1.00 0.00 C ATOM 1092 OG1 THR A 88 3.604 -9.003 0.699 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.470 -8.739 2.943 1.00 0.00 C ATOM 0 H THR A 88 4.803 -6.482 0.197 1.00 0.00 H new ATOM 0 HA THR A 88 6.768 -8.191 1.545 1.00 0.00 H new ATOM 0 HB THR A 88 5.186 -10.093 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.330 -8.067 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.707 -9.423 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.371 -8.836 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.100 -7.715 3.004 1.00 0.00 H new ATOM 1101 N ASP A 89 6.119 -9.883 -0.725 1.00 0.00 N ATOM 1102 CA ASP A 89 6.201 -10.483 -2.062 1.00 0.00 C ATOM 1103 C ASP A 89 7.582 -10.312 -2.691 1.00 0.00 C ATOM 1104 O ASP A 89 8.352 -11.266 -2.772 1.00 0.00 O ATOM 1105 CB ASP A 89 5.115 -9.912 -2.984 1.00 0.00 C ATOM 1106 CG ASP A 89 5.040 -10.636 -4.313 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.785 -10.265 -5.244 1.00 0.00 O ATOM 1108 OD2 ASP A 89 4.231 -11.576 -4.433 1.00 0.00 O ATOM 0 H ASP A 89 6.003 -10.570 0.020 1.00 0.00 H new ATOM 0 HA ASP A 89 6.032 -11.553 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.148 -9.976 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.313 -8.855 -3.161 1.00 0.00 H new ATOM 1113 N VAL A 90 7.906 -9.099 -3.115 1.00 0.00 N ATOM 1114 CA VAL A 90 9.168 -8.848 -3.787 1.00 0.00 C ATOM 1115 C VAL A 90 10.328 -8.752 -2.793 1.00 0.00 C ATOM 1116 O VAL A 90 11.399 -9.307 -3.026 1.00 0.00 O ATOM 1117 CB VAL A 90 9.121 -7.584 -4.681 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.271 -7.848 -5.911 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.580 -6.378 -3.927 1.00 0.00 C ATOM 0 H VAL A 90 7.313 -8.277 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 90 9.340 -9.706 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 90 10.143 -7.356 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.244 -6.954 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.700 -8.673 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.258 -8.107 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.563 -5.512 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.568 -6.589 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.220 -6.167 -3.070 1.00 0.00 H new ATOM 1129 N LEU A 91 10.111 -8.063 -1.679 1.00 0.00 N ATOM 1130 CA LEU A 91 11.161 -7.896 -0.682 1.00 0.00 C ATOM 1131 C LEU A 91 11.140 -9.027 0.343 1.00 0.00 C ATOM 1132 O LEU A 91 12.179 -9.589 0.674 1.00 0.00 O ATOM 1133 CB LEU A 91 11.039 -6.541 0.025 1.00 0.00 C ATOM 1134 CG LEU A 91 9.689 -6.262 0.682 1.00 0.00 C ATOM 1135 CD1 LEU A 91 9.864 -5.358 1.891 1.00 0.00 C ATOM 1136 CD2 LEU A 91 8.739 -5.622 -0.310 1.00 0.00 C ATOM 0 H LEU A 91 9.225 -7.614 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 91 12.115 -7.929 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.815 -6.478 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.240 -5.753 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 91 9.266 -7.211 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.892 -5.169 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.518 -5.843 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.308 -4.413 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.782 -5.430 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.162 -4.682 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.589 -6.293 -1.156 1.00 0.00 H new ATOM 1148 N SER A 92 9.955 -9.365 0.838 1.00 0.00 N ATOM 1149 CA SER A 92 9.834 -10.362 1.892 1.00 0.00 C ATOM 1150 C SER A 92 9.824 -11.772 1.302 1.00 0.00 C ATOM 1151 O SER A 92 10.048 -12.750 2.014 1.00 0.00 O ATOM 1152 CB SER A 92 8.563 -10.104 2.709 1.00 0.00 C ATOM 1153 OG SER A 92 8.517 -10.902 3.879 1.00 0.00 O ATOM 0 H SER A 92 9.069 -8.965 0.528 1.00 0.00 H new ATOM 0 HA SER A 92 10.697 -10.283 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.517 -9.051 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.687 -10.311 2.094 1.00 0.00 H new ATOM 0 HG SER A 92 7.694 -10.709 4.374 1.00 0.00 H new ATOM 1159 N SER A 93 9.575 -11.854 -0.006 1.00 0.00 N ATOM 1160 CA SER A 93 9.552 -13.118 -0.742 1.00 0.00 C ATOM 1161 C SER A 93 8.452 -14.061 -0.248 1.00 0.00 C ATOM 1162 O SER A 93 7.368 -14.098 -0.832 1.00 0.00 O ATOM 1163 CB SER A 93 10.921 -13.796 -0.693 1.00 0.00 C ATOM 1164 OG SER A 93 11.911 -12.974 -1.296 1.00 0.00 O ATOM 0 H SER A 93 9.382 -11.039 -0.588 1.00 0.00 H new ATOM 0 HA SER A 93 9.319 -12.881 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.193 -14.002 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.876 -14.756 -1.208 1.00 0.00 H new ATOM 0 HG SER A 93 12.780 -13.424 -1.253 1.00 0.00 H new ATOM 1170 N GLY A 94 8.718 -14.795 0.829 1.00 0.00 N ATOM 1171 CA GLY A 94 7.764 -15.769 1.335 1.00 0.00 C ATOM 1172 C GLY A 94 6.556 -15.125 1.987 1.00 0.00 C ATOM 1173 O GLY A 94 6.427 -15.119 3.211 1.00 0.00 O ATOM 0 H GLY A 94 9.584 -14.732 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.432 -16.406 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.261 -16.415 2.059 1.00 0.00 H new ATOM 1177 N THR A 95 5.670 -14.593 1.159 1.00 0.00 N ATOM 1178 CA THR A 95 4.487 -13.890 1.623 1.00 0.00 C ATOM 1179 C THR A 95 3.387 -13.944 0.567 1.00 0.00 C ATOM 1180 O THR A 95 3.671 -14.062 -0.624 1.00 0.00 O ATOM 1181 CB THR A 95 4.812 -12.416 1.926 1.00 0.00 C ATOM 1182 OG1 THR A 95 5.843 -11.964 1.036 1.00 0.00 O ATOM 1183 CG2 THR A 95 5.251 -12.223 3.369 1.00 0.00 C ATOM 0 H THR A 95 5.753 -14.638 0.143 1.00 0.00 H new ATOM 0 HA THR A 95 4.146 -14.380 2.535 1.00 0.00 H new ATOM 0 HB THR A 95 3.906 -11.829 1.776 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.715 -12.267 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.472 -11.170 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.452 -12.543 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.144 -12.818 3.560 1.00 0.00 H new ATOM 1191 N VAL A 96 2.141 -13.875 1.002 1.00 0.00 N ATOM 1192 CA VAL A 96 1.014 -13.820 0.083 1.00 0.00 C ATOM 1193 C VAL A 96 0.380 -12.437 0.127 1.00 0.00 C ATOM 1194 O VAL A 96 -0.340 -12.105 1.073 1.00 0.00 O ATOM 1195 CB VAL A 96 -0.050 -14.882 0.424 1.00 0.00 C ATOM 1196 CG1 VAL A 96 -1.182 -14.857 -0.590 1.00 0.00 C ATOM 1197 CG2 VAL A 96 0.575 -16.267 0.496 1.00 0.00 C ATOM 0 H VAL A 96 1.882 -13.856 1.988 1.00 0.00 H new ATOM 0 HA VAL A 96 1.392 -14.027 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.465 -14.643 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.921 -15.615 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.653 -13.874 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.785 -15.064 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.194 -17.001 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.023 -16.514 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.344 -16.279 1.268 1.00 0.00 H new ATOM 1207 N GLY A 97 0.666 -11.624 -0.878 1.00 0.00 N ATOM 1208 CA GLY A 97 0.158 -10.271 -0.895 1.00 0.00 C ATOM 1209 C GLY A 97 0.143 -9.666 -2.280 1.00 0.00 C ATOM 1210 O GLY A 97 1.172 -9.207 -2.774 1.00 0.00 O ATOM 0 H GLY A 97 1.241 -11.878 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.854 -10.263 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.769 -9.651 -0.239 1.00 0.00 H new ATOM 1214 N SER A 98 -1.029 -9.650 -2.889 1.00 0.00 N ATOM 1215 CA SER A 98 -1.215 -9.080 -4.206 1.00 0.00 C ATOM 1216 C SER A 98 -2.700 -8.781 -4.397 1.00 0.00 C ATOM 1217 O SER A 98 -3.238 -7.960 -3.617 1.00 0.00 O ATOM 1218 CB SER A 98 -0.694 -10.043 -5.283 1.00 0.00 C ATOM 1219 OG SER A 98 -0.671 -9.434 -6.566 1.00 0.00 O ATOM 1220 OXT SER A 98 -3.331 -9.376 -5.297 1.00 0.00 O ATOM 0 H SER A 98 -1.881 -10.034 -2.480 1.00 0.00 H new ATOM 0 HA SER A 98 -0.648 -8.154 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.310 -10.374 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.325 -10.931 -5.313 1.00 0.00 H new ATOM 0 HG SER A 98 -1.581 -9.177 -6.822 1.00 0.00 H new TER 1226 SER A 98