USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 SER OG : rot -157:sc= 1.2 USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.0924 K(o=1.3,f=-2.5) USER MOD Set 2.1: A 39 ASN : amide:sc= -4.29! C(o=-3.1!,f=-3.1!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 177:sc= 0.503 (180deg=-0.219) USER MOD Set 2.3: A 75 TYR OH : rot -117:sc= 0.704 USER MOD Set 3.1: A 23 THR OG1 : rot 11:sc= -1.45! USER MOD Set 3.2: A 26 THR OG1 : rot 116:sc= 0.641 USER MOD Set 3.3: A 74 HIS : no HD1:sc= -0.297 K(o=-1.1,f=-4.7) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -0.359 (180deg=-0.515!) USER MOD Single : A 18 THR OG1 : rot 7:sc= 0.917 USER MOD Single : A 24 ASN : amide:sc= -1.67 K(o=-1.7,f=-6.8!) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0656 (180deg=-0.361) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.618 K(o=-0.62,f=-5.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.234 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -2.46! X(o=-2.5!,f=-2.7) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0.836 (180deg=0.738) USER MOD Single : A 60 SER OG : rot 80:sc= 1.23 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.288 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 72 CYS SG : rot 180:sc= -0.119 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -5.02! C(o=-5!,f=-6.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-5.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -38:sc= 0.437 USER MOD Single : A 98 SER OG : rot -8:sc= 0.949 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.365 -7.729 9.035 1.00 0.00 N ATOM 21 CA TYR A 2 -7.384 -7.219 8.088 1.00 0.00 C ATOM 22 C TYR A 2 -7.880 -7.350 6.655 1.00 0.00 C ATOM 23 O TYR A 2 -8.723 -8.196 6.348 1.00 0.00 O ATOM 24 CB TYR A 2 -6.047 -7.941 8.260 1.00 0.00 C ATOM 25 CG TYR A 2 -5.333 -7.597 9.554 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.665 -8.228 10.747 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.332 -6.636 9.581 1.00 0.00 C ATOM 28 CE1 TYR A 2 -5.022 -7.908 11.927 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.683 -6.312 10.756 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.033 -6.950 11.926 1.00 0.00 C ATOM 31 OH TYR A 2 -3.384 -6.634 13.099 1.00 0.00 O ATOM 0 HA TYR A 2 -7.238 -6.159 8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.217 -9.017 8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.399 -7.692 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.439 -8.981 10.752 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.056 -6.132 8.666 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.294 -8.407 12.846 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.905 -5.563 10.758 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.714 -5.940 12.925 1.00 0.00 H new ATOM 41 N LEU A 3 -7.353 -6.506 5.785 1.00 0.00 N ATOM 42 CA LEU A 3 -7.794 -6.456 4.402 1.00 0.00 C ATOM 43 C LEU A 3 -6.885 -7.292 3.512 1.00 0.00 C ATOM 44 O LEU A 3 -5.665 -7.303 3.689 1.00 0.00 O ATOM 45 CB LEU A 3 -7.812 -5.008 3.895 1.00 0.00 C ATOM 46 CG LEU A 3 -8.683 -4.036 4.696 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.552 -2.626 4.137 1.00 0.00 C ATOM 48 CD2 LEU A 3 -10.138 -4.481 4.678 1.00 0.00 C ATOM 0 H LEU A 3 -6.614 -5.842 6.014 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.803 -6.865 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.789 -4.631 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.157 -5.009 2.861 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.338 -4.035 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.177 -1.946 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.512 -2.305 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.874 -2.616 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.741 -3.778 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.497 -4.510 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.220 -5.474 5.119 1.00 0.00 H new ATOM 60 N ARG A 4 -7.489 -7.997 2.567 1.00 0.00 N ATOM 61 CA ARG A 4 -6.738 -8.745 1.567 1.00 0.00 C ATOM 62 C ARG A 4 -5.941 -7.784 0.693 1.00 0.00 C ATOM 63 O ARG A 4 -6.388 -6.667 0.435 1.00 0.00 O ATOM 64 CB ARG A 4 -7.685 -9.549 0.673 1.00 0.00 C ATOM 65 CG ARG A 4 -8.575 -10.538 1.409 1.00 0.00 C ATOM 66 CD ARG A 4 -9.588 -11.162 0.460 1.00 0.00 C ATOM 67 NE ARG A 4 -10.401 -10.140 -0.204 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.351 -9.878 -1.512 1.00 0.00 C ATOM 69 NH1 ARG A 4 -9.579 -10.601 -2.312 1.00 0.00 N ATOM 70 NH2 ARG A 4 -11.074 -8.891 -2.025 1.00 0.00 N ATOM 0 H ARG A 4 -8.502 -8.067 2.471 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.065 -9.427 2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.318 -8.854 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.092 -10.093 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.963 -11.319 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.095 -10.031 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.067 -11.758 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.236 -11.841 1.013 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.045 -9.595 0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.019 -11.362 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.545 -10.396 -3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.672 -8.328 -1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.032 -8.695 -3.025 1.00 0.00 H new ATOM 84 N PRO A 5 -4.754 -8.198 0.228 1.00 0.00 N ATOM 85 CA PRO A 5 -3.945 -7.397 -0.697 1.00 0.00 C ATOM 86 C PRO A 5 -4.750 -6.991 -1.932 1.00 0.00 C ATOM 87 O PRO A 5 -4.665 -5.859 -2.407 1.00 0.00 O ATOM 88 CB PRO A 5 -2.791 -8.335 -1.083 1.00 0.00 C ATOM 89 CG PRO A 5 -3.195 -9.691 -0.605 1.00 0.00 C ATOM 90 CD PRO A 5 -4.095 -9.464 0.571 1.00 0.00 C ATOM 0 HA PRO A 5 -3.603 -6.464 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.628 -8.332 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.857 -8.018 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.711 -10.244 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.323 -10.280 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.813 -10.275 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.534 -9.390 1.503 1.00 0.00 H new ATOM 98 N ASP A 6 -5.543 -7.932 -2.429 1.00 0.00 N ATOM 99 CA ASP A 6 -6.441 -7.695 -3.556 1.00 0.00 C ATOM 100 C ASP A 6 -7.465 -6.596 -3.229 1.00 0.00 C ATOM 101 O ASP A 6 -7.756 -5.724 -4.056 1.00 0.00 O ATOM 102 CB ASP A 6 -7.140 -9.012 -3.917 1.00 0.00 C ATOM 103 CG ASP A 6 -8.223 -8.852 -4.961 1.00 0.00 C ATOM 104 OD1 ASP A 6 -7.925 -8.375 -6.067 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.383 -9.222 -4.668 1.00 0.00 O ATOM 0 H ASP A 6 -5.583 -8.883 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.862 -7.346 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.397 -9.721 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.576 -9.442 -3.015 1.00 0.00 H new ATOM 110 N GLU A 7 -7.989 -6.631 -2.009 1.00 0.00 N ATOM 111 CA GLU A 7 -8.951 -5.632 -1.548 1.00 0.00 C ATOM 112 C GLU A 7 -8.273 -4.261 -1.450 1.00 0.00 C ATOM 113 O GLU A 7 -8.838 -3.239 -1.853 1.00 0.00 O ATOM 114 CB GLU A 7 -9.513 -6.045 -0.182 1.00 0.00 C ATOM 115 CG GLU A 7 -10.781 -5.307 0.227 1.00 0.00 C ATOM 116 CD GLU A 7 -11.982 -5.689 -0.616 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.327 -6.893 -0.656 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.594 -4.792 -1.230 1.00 0.00 O ATOM 0 H GLU A 7 -7.763 -7.345 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.772 -5.567 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.719 -7.115 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.749 -5.877 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.997 -5.518 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.613 -4.233 0.146 1.00 0.00 H new ATOM 125 N VAL A 8 -7.050 -4.259 -0.924 1.00 0.00 N ATOM 126 CA VAL A 8 -6.251 -3.041 -0.814 1.00 0.00 C ATOM 127 C VAL A 8 -6.007 -2.436 -2.192 1.00 0.00 C ATOM 128 O VAL A 8 -6.102 -1.221 -2.375 1.00 0.00 O ATOM 129 CB VAL A 8 -4.892 -3.321 -0.128 1.00 0.00 C ATOM 130 CG1 VAL A 8 -4.024 -2.070 -0.089 1.00 0.00 C ATOM 131 CG2 VAL A 8 -5.105 -3.860 1.277 1.00 0.00 C ATOM 0 H VAL A 8 -6.588 -5.094 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.812 -2.335 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.370 -4.075 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.077 -2.300 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.835 -1.727 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.539 -1.287 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.139 -4.051 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.655 -3.128 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.674 -4.788 1.228 1.00 0.00 H new ATOM 141 N ALA A 9 -5.710 -3.297 -3.162 1.00 0.00 N ATOM 142 CA ALA A 9 -5.469 -2.866 -4.533 1.00 0.00 C ATOM 143 C ALA A 9 -6.663 -2.086 -5.080 1.00 0.00 C ATOM 144 O ALA A 9 -6.492 -1.085 -5.778 1.00 0.00 O ATOM 145 CB ALA A 9 -5.162 -4.065 -5.419 1.00 0.00 C ATOM 0 H ALA A 9 -5.630 -4.304 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.605 -2.202 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.984 -3.727 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.274 -4.575 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.008 -4.753 -5.407 1.00 0.00 H new ATOM 151 N ARG A 10 -7.870 -2.546 -4.751 1.00 0.00 N ATOM 152 CA ARG A 10 -9.092 -1.840 -5.145 1.00 0.00 C ATOM 153 C ARG A 10 -9.115 -0.420 -4.592 1.00 0.00 C ATOM 154 O ARG A 10 -9.339 0.537 -5.331 1.00 0.00 O ATOM 155 CB ARG A 10 -10.339 -2.585 -4.670 1.00 0.00 C ATOM 156 CG ARG A 10 -10.670 -3.812 -5.493 1.00 0.00 C ATOM 157 CD ARG A 10 -11.927 -4.493 -4.981 1.00 0.00 C ATOM 158 NE ARG A 10 -12.317 -5.625 -5.817 1.00 0.00 N ATOM 159 CZ ARG A 10 -11.720 -6.813 -5.780 1.00 0.00 C ATOM 160 NH1 ARG A 10 -10.712 -7.018 -4.943 1.00 0.00 N ATOM 161 NH2 ARG A 10 -12.130 -7.792 -6.579 1.00 0.00 N ATOM 0 H ARG A 10 -8.029 -3.400 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.095 -1.797 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.199 -2.883 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.189 -1.903 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.806 -3.528 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.835 -4.512 -5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.762 -4.837 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.742 -3.770 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.092 -5.497 -6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.397 -6.266 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.252 -7.928 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.905 -7.634 -7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.670 -8.702 -6.548 1.00 0.00 H new ATOM 175 N VAL A 11 -8.876 -0.287 -3.291 1.00 0.00 N ATOM 176 CA VAL A 11 -8.936 1.018 -2.632 1.00 0.00 C ATOM 177 C VAL A 11 -7.859 1.963 -3.167 1.00 0.00 C ATOM 178 O VAL A 11 -8.078 3.172 -3.270 1.00 0.00 O ATOM 179 CB VAL A 11 -8.821 0.883 -1.098 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.872 2.247 -0.422 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.936 -0.001 -0.567 1.00 0.00 C ATOM 0 H VAL A 11 -8.640 -1.062 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.911 1.448 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.859 0.425 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.789 2.121 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.046 2.862 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.817 2.735 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.846 -0.090 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.901 0.441 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.863 -0.990 -1.019 1.00 0.00 H new ATOM 191 N LEU A 12 -6.706 1.414 -3.522 1.00 0.00 N ATOM 192 CA LEU A 12 -5.657 2.206 -4.151 1.00 0.00 C ATOM 193 C LEU A 12 -6.154 2.810 -5.461 1.00 0.00 C ATOM 194 O LEU A 12 -6.029 4.015 -5.686 1.00 0.00 O ATOM 195 CB LEU A 12 -4.410 1.357 -4.403 1.00 0.00 C ATOM 196 CG LEU A 12 -3.705 0.849 -3.145 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.512 -0.010 -3.524 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.260 2.013 -2.268 1.00 0.00 C ATOM 0 H LEU A 12 -6.473 0.430 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.392 3.015 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.691 0.499 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.701 1.945 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.410 0.243 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.018 -0.366 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.850 -0.863 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.810 0.581 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.761 1.628 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.570 2.646 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.130 2.598 -1.971 1.00 0.00 H new ATOM 210 N GLU A 13 -6.731 1.972 -6.314 1.00 0.00 N ATOM 211 CA GLU A 13 -7.264 2.427 -7.592 1.00 0.00 C ATOM 212 C GLU A 13 -8.363 3.471 -7.376 1.00 0.00 C ATOM 213 O GLU A 13 -8.506 4.412 -8.160 1.00 0.00 O ATOM 214 CB GLU A 13 -7.796 1.239 -8.397 1.00 0.00 C ATOM 215 CG GLU A 13 -8.098 1.576 -9.847 1.00 0.00 C ATOM 216 CD GLU A 13 -9.571 1.485 -10.180 1.00 0.00 C ATOM 217 OE1 GLU A 13 -10.393 2.075 -9.449 1.00 0.00 O ATOM 218 OE2 GLU A 13 -9.915 0.841 -11.193 1.00 0.00 O ATOM 0 H GLU A 13 -6.842 0.973 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.459 2.895 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.064 0.432 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.704 0.866 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.744 2.584 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.542 0.899 -10.495 1.00 0.00 H new ATOM 225 N LYS A 14 -9.124 3.301 -6.296 1.00 0.00 N ATOM 226 CA LYS A 14 -10.158 4.260 -5.907 1.00 0.00 C ATOM 227 C LYS A 14 -9.554 5.643 -5.690 1.00 0.00 C ATOM 228 O LYS A 14 -10.120 6.656 -6.103 1.00 0.00 O ATOM 229 CB LYS A 14 -10.853 3.794 -4.623 1.00 0.00 C ATOM 230 CG LYS A 14 -11.683 2.536 -4.799 1.00 0.00 C ATOM 231 CD LYS A 14 -12.299 2.070 -3.487 1.00 0.00 C ATOM 232 CE LYS A 14 -13.629 2.753 -3.191 1.00 0.00 C ATOM 233 NZ LYS A 14 -13.486 4.174 -2.775 1.00 0.00 N ATOM 0 H LYS A 14 -9.043 2.500 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.890 4.319 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.099 3.616 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.496 4.595 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.474 2.723 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.057 1.743 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.449 0.991 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.603 2.269 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.259 2.704 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.144 2.202 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.376 4.503 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.719 4.256 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.263 4.758 -3.606 1.00 0.00 H new ATOM 247 N ALA A 15 -8.391 5.675 -5.053 1.00 0.00 N ATOM 248 CA ALA A 15 -7.685 6.924 -4.789 1.00 0.00 C ATOM 249 C ALA A 15 -6.957 7.432 -6.038 1.00 0.00 C ATOM 250 O ALA A 15 -6.236 8.433 -5.987 1.00 0.00 O ATOM 251 CB ALA A 15 -6.706 6.736 -3.642 1.00 0.00 C ATOM 0 H ALA A 15 -7.913 4.843 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.422 7.676 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.184 7.674 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.249 6.435 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.982 5.964 -3.904 1.00 0.00 H new ATOM 257 N GLY A 16 -7.140 6.739 -7.153 1.00 0.00 N ATOM 258 CA GLY A 16 -6.560 7.179 -8.407 1.00 0.00 C ATOM 259 C GLY A 16 -5.171 6.625 -8.643 1.00 0.00 C ATOM 260 O GLY A 16 -4.419 7.153 -9.460 1.00 0.00 O ATOM 0 H GLY A 16 -7.682 5.877 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.210 6.876 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.518 8.268 -8.419 1.00 0.00 H new ATOM 264 N PHE A 17 -4.824 5.568 -7.925 1.00 0.00 N ATOM 265 CA PHE A 17 -3.523 4.935 -8.089 1.00 0.00 C ATOM 266 C PHE A 17 -3.522 3.989 -9.285 1.00 0.00 C ATOM 267 O PHE A 17 -4.549 3.403 -9.629 1.00 0.00 O ATOM 268 CB PHE A 17 -3.134 4.168 -6.826 1.00 0.00 C ATOM 269 CG PHE A 17 -2.554 5.023 -5.732 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.374 5.762 -4.896 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.181 5.079 -5.535 1.00 0.00 C ATOM 272 CE1 PHE A 17 -2.840 6.543 -3.887 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.641 5.860 -4.528 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.472 6.591 -3.704 1.00 0.00 C ATOM 0 H PHE A 17 -5.423 5.131 -7.225 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.791 5.723 -8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.016 3.656 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.409 3.399 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.445 5.728 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.526 4.506 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.492 7.115 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.429 5.897 -4.387 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.053 7.200 -2.917 1.00 0.00 H new ATOM 284 N THR A 18 -2.361 3.846 -9.911 1.00 0.00 N ATOM 285 CA THR A 18 -2.199 2.947 -11.045 1.00 0.00 C ATOM 286 C THR A 18 -1.159 1.875 -10.731 1.00 0.00 C ATOM 287 O THR A 18 -0.420 1.987 -9.754 1.00 0.00 O ATOM 288 CB THR A 18 -1.781 3.718 -12.315 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.691 4.606 -12.022 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.949 4.511 -12.883 1.00 0.00 C ATOM 0 H THR A 18 -1.511 4.346 -9.649 1.00 0.00 H new ATOM 0 HA THR A 18 -3.162 2.472 -11.230 1.00 0.00 H new ATOM 0 HB THR A 18 -1.463 2.989 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.379 4.450 -11.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.626 5.044 -13.777 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.760 3.830 -13.140 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.298 5.227 -12.139 1.00 0.00 H new ATOM 298 N VAL A 19 -1.105 0.838 -11.552 1.00 0.00 N ATOM 299 CA VAL A 19 -0.161 -0.250 -11.338 1.00 0.00 C ATOM 300 C VAL A 19 1.244 0.138 -11.821 1.00 0.00 C ATOM 301 O VAL A 19 1.404 0.843 -12.821 1.00 0.00 O ATOM 302 CB VAL A 19 -0.639 -1.552 -12.036 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.720 -1.378 -13.544 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.259 -2.729 -11.680 1.00 0.00 C ATOM 0 H VAL A 19 -1.702 0.726 -12.371 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.113 -0.440 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.643 -1.766 -11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.058 -2.309 -14.000 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.425 -0.581 -13.781 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.265 -1.119 -13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.101 -3.626 -12.183 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.279 -2.518 -12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.242 -2.887 -10.602 1.00 0.00 H new ATOM 314 N ASP A 20 2.248 -0.294 -11.073 1.00 0.00 N ATOM 315 CA ASP A 20 3.648 -0.067 -11.426 1.00 0.00 C ATOM 316 C ASP A 20 4.221 -1.317 -12.078 1.00 0.00 C ATOM 317 O ASP A 20 4.483 -1.344 -13.281 1.00 0.00 O ATOM 318 CB ASP A 20 4.462 0.292 -10.175 1.00 0.00 C ATOM 319 CG ASP A 20 5.952 0.427 -10.451 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.353 1.373 -11.158 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.725 -0.417 -9.955 1.00 0.00 O ATOM 0 H ASP A 20 2.119 -0.812 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 20 3.705 0.764 -12.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.089 1.229 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.307 -0.475 -9.416 1.00 0.00 H new ATOM 326 N VAL A 21 4.380 -2.363 -11.279 1.00 0.00 N ATOM 327 CA VAL A 21 4.886 -3.632 -11.767 1.00 0.00 C ATOM 328 C VAL A 21 4.024 -4.787 -11.258 1.00 0.00 C ATOM 329 O VAL A 21 3.980 -5.077 -10.061 1.00 0.00 O ATOM 330 CB VAL A 21 6.370 -3.843 -11.369 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.575 -3.683 -9.869 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.868 -5.199 -11.841 1.00 0.00 C ATOM 0 H VAL A 21 4.163 -2.354 -10.282 1.00 0.00 H new ATOM 0 HA VAL A 21 4.834 -3.612 -12.856 1.00 0.00 H new ATOM 0 HB VAL A 21 6.957 -3.070 -11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.626 -3.838 -9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.277 -2.679 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.969 -4.417 -9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.911 -5.325 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.267 -5.986 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.784 -5.260 -12.926 1.00 0.00 H new ATOM 342 N VAL A 22 3.305 -5.423 -12.169 1.00 0.00 N ATOM 343 CA VAL A 22 2.463 -6.548 -11.804 1.00 0.00 C ATOM 344 C VAL A 22 3.264 -7.848 -11.814 1.00 0.00 C ATOM 345 O VAL A 22 3.899 -8.203 -12.812 1.00 0.00 O ATOM 346 CB VAL A 22 1.219 -6.667 -12.721 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.610 -6.814 -14.186 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.335 -7.826 -12.280 1.00 0.00 C ATOM 0 H VAL A 22 3.288 -5.181 -13.160 1.00 0.00 H new ATOM 0 HA VAL A 22 2.103 -6.365 -10.791 1.00 0.00 H new ATOM 0 HB VAL A 22 0.651 -5.741 -12.626 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.710 -6.895 -14.796 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.184 -5.942 -14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.216 -7.711 -14.313 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.533 -7.892 -12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.901 -8.756 -12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.003 -7.661 -11.255 1.00 0.00 H new ATOM 358 N THR A 23 3.259 -8.530 -10.679 1.00 0.00 N ATOM 359 CA THR A 23 3.960 -9.793 -10.525 1.00 0.00 C ATOM 360 C THR A 23 3.082 -10.783 -9.762 1.00 0.00 C ATOM 361 O THR A 23 2.142 -10.382 -9.071 1.00 0.00 O ATOM 362 CB THR A 23 5.309 -9.603 -9.794 1.00 0.00 C ATOM 363 OG1 THR A 23 5.124 -8.855 -8.592 1.00 0.00 O ATOM 364 CG2 THR A 23 6.326 -8.897 -10.683 1.00 0.00 C ATOM 0 H THR A 23 2.768 -8.222 -9.839 1.00 0.00 H new ATOM 0 HA THR A 23 4.172 -10.188 -11.519 1.00 0.00 H new ATOM 0 HB THR A 23 5.693 -10.593 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.166 -8.775 -8.401 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.264 -8.779 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.499 -9.491 -11.581 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.944 -7.916 -10.965 1.00 0.00 H new ATOM 372 N ASN A 24 3.391 -12.067 -9.861 1.00 0.00 N ATOM 373 CA ASN A 24 2.546 -13.098 -9.259 1.00 0.00 C ATOM 374 C ASN A 24 2.823 -13.258 -7.767 1.00 0.00 C ATOM 375 O ASN A 24 2.324 -14.184 -7.130 1.00 0.00 O ATOM 376 CB ASN A 24 2.705 -14.440 -9.989 1.00 0.00 C ATOM 377 CG ASN A 24 4.144 -14.911 -10.099 1.00 0.00 C ATOM 378 OD1 ASN A 24 4.976 -14.648 -9.232 1.00 0.00 O ATOM 379 ND2 ASN A 24 4.448 -15.606 -11.181 1.00 0.00 N ATOM 0 H ASN A 24 4.214 -12.423 -10.348 1.00 0.00 H new ATOM 0 HA ASN A 24 1.512 -12.770 -9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.123 -15.199 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.284 -14.350 -10.991 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.400 -15.944 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.730 -15.804 -11.878 1.00 0.00 H new ATOM 386 N LYS A 25 3.604 -12.342 -7.204 1.00 0.00 N ATOM 387 CA LYS A 25 3.866 -12.341 -5.771 1.00 0.00 C ATOM 388 C LYS A 25 3.688 -10.934 -5.217 1.00 0.00 C ATOM 389 O LYS A 25 3.737 -10.712 -4.006 1.00 0.00 O ATOM 390 CB LYS A 25 5.290 -12.831 -5.472 1.00 0.00 C ATOM 391 CG LYS A 25 5.640 -14.156 -6.130 1.00 0.00 C ATOM 392 CD LYS A 25 7.065 -14.580 -5.818 1.00 0.00 C ATOM 393 CE LYS A 25 7.201 -15.080 -4.388 1.00 0.00 C ATOM 394 NZ LYS A 25 6.422 -16.327 -4.151 1.00 0.00 N ATOM 0 H LYS A 25 4.066 -11.592 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 25 3.158 -13.019 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.001 -12.074 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.410 -12.930 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.948 -14.926 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.514 -14.071 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.371 -15.365 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.738 -13.737 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.253 -15.263 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.861 -14.305 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.781 -16.804 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.418 -16.089 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.521 -16.960 -4.971 1.00 0.00 H new ATOM 408 N THR A 26 3.446 -9.982 -6.109 1.00 0.00 N ATOM 409 CA THR A 26 3.488 -8.577 -5.744 1.00 0.00 C ATOM 410 C THR A 26 2.701 -7.711 -6.725 1.00 0.00 C ATOM 411 O THR A 26 2.771 -7.905 -7.938 1.00 0.00 O ATOM 412 CB THR A 26 4.952 -8.090 -5.711 1.00 0.00 C ATOM 413 OG1 THR A 26 5.707 -8.831 -4.744 1.00 0.00 O ATOM 414 CG2 THR A 26 5.033 -6.607 -5.405 1.00 0.00 C ATOM 0 H THR A 26 3.219 -10.159 -7.088 1.00 0.00 H new ATOM 0 HA THR A 26 3.031 -8.481 -4.759 1.00 0.00 H new ATOM 0 HB THR A 26 5.378 -8.258 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.405 -9.347 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.077 -6.295 -5.389 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.499 -6.047 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.581 -6.411 -4.433 1.00 0.00 H new ATOM 422 N TYR A 27 1.954 -6.758 -6.199 1.00 0.00 N ATOM 423 CA TYR A 27 1.300 -5.762 -7.027 1.00 0.00 C ATOM 424 C TYR A 27 1.967 -4.409 -6.834 1.00 0.00 C ATOM 425 O TYR A 27 1.674 -3.694 -5.876 1.00 0.00 O ATOM 426 CB TYR A 27 -0.189 -5.650 -6.696 1.00 0.00 C ATOM 427 CG TYR A 27 -1.012 -6.846 -7.102 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.441 -6.997 -8.414 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.373 -7.816 -6.175 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.207 -8.080 -8.793 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.137 -8.904 -6.546 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.553 -9.032 -7.856 1.00 0.00 C ATOM 433 OH TYR A 27 -3.319 -10.114 -8.230 1.00 0.00 O ATOM 0 H TYR A 27 1.785 -6.653 -5.199 1.00 0.00 H new ATOM 0 HA TYR A 27 1.396 -6.076 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.299 -5.497 -5.622 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.592 -4.764 -7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.171 -6.254 -9.150 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.051 -7.717 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.534 -8.182 -9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.408 -9.651 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.473 -10.690 -7.452 1.00 0.00 H new ATOM 443 N GLY A 28 2.892 -4.076 -7.718 1.00 0.00 N ATOM 444 CA GLY A 28 3.518 -2.772 -7.668 1.00 0.00 C ATOM 445 C GLY A 28 2.523 -1.691 -8.018 1.00 0.00 C ATOM 446 O GLY A 28 1.751 -1.848 -8.961 1.00 0.00 O ATOM 0 H GLY A 28 3.221 -4.683 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.921 -2.594 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.358 -2.739 -8.362 1.00 0.00 H new ATOM 450 N TYR A 29 2.530 -0.604 -7.272 1.00 0.00 N ATOM 451 CA TYR A 29 1.537 0.440 -7.447 1.00 0.00 C ATOM 452 C TYR A 29 2.166 1.826 -7.369 1.00 0.00 C ATOM 453 O TYR A 29 3.136 2.039 -6.645 1.00 0.00 O ATOM 454 CB TYR A 29 0.445 0.284 -6.393 1.00 0.00 C ATOM 455 CG TYR A 29 -0.801 -0.391 -6.920 1.00 0.00 C ATOM 456 CD1 TYR A 29 -0.916 -1.777 -6.924 1.00 0.00 C ATOM 457 CD2 TYR A 29 -1.859 0.354 -7.422 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.047 -2.398 -7.418 1.00 0.00 C ATOM 459 CE2 TYR A 29 -2.994 -0.260 -7.914 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.083 -1.636 -7.910 1.00 0.00 C ATOM 461 OH TYR A 29 -4.209 -2.249 -8.403 1.00 0.00 O ATOM 0 H TYR A 29 3.213 -0.420 -6.537 1.00 0.00 H new ATOM 0 HA TYR A 29 1.098 0.339 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.837 -0.294 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.181 1.268 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.108 -2.378 -6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.794 1.432 -7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.118 -3.476 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.808 0.335 -8.300 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.844 -1.569 -8.710 1.00 0.00 H new ATOM 471 N ARG A 30 1.615 2.763 -8.130 1.00 0.00 N ATOM 472 CA ARG A 30 2.145 4.117 -8.183 1.00 0.00 C ATOM 473 C ARG A 30 1.083 5.109 -8.643 1.00 0.00 C ATOM 474 O ARG A 30 0.193 4.769 -9.422 1.00 0.00 O ATOM 475 CB ARG A 30 3.349 4.180 -9.127 1.00 0.00 C ATOM 476 CG ARG A 30 3.067 3.663 -10.532 1.00 0.00 C ATOM 477 CD ARG A 30 4.291 3.796 -11.422 1.00 0.00 C ATOM 478 NE ARG A 30 4.136 3.084 -12.690 1.00 0.00 N ATOM 479 CZ ARG A 30 5.050 3.094 -13.660 1.00 0.00 C ATOM 480 NH1 ARG A 30 6.160 3.814 -13.528 1.00 0.00 N ATOM 481 NH2 ARG A 30 4.863 2.378 -14.760 1.00 0.00 N ATOM 0 H ARG A 30 0.798 2.608 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 30 2.459 4.390 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.691 5.213 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.166 3.601 -8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.761 2.618 -10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.236 4.218 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.480 4.851 -11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.164 3.410 -10.896 1.00 0.00 H new ATOM 0 HE ARG A 30 3.280 2.550 -12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.315 4.362 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.857 3.818 -14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.018 1.817 -14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.565 2.388 -15.500 1.00 0.00 H new ATOM 495 N ARG A 31 1.181 6.332 -8.154 1.00 0.00 N ATOM 496 CA ARG A 31 0.327 7.415 -8.618 1.00 0.00 C ATOM 497 C ARG A 31 1.198 8.624 -8.910 1.00 0.00 C ATOM 498 O ARG A 31 1.114 9.654 -8.240 1.00 0.00 O ATOM 499 CB ARG A 31 -0.748 7.755 -7.582 1.00 0.00 C ATOM 500 CG ARG A 31 -1.821 8.699 -8.100 1.00 0.00 C ATOM 501 CD ARG A 31 -2.865 9.003 -7.035 1.00 0.00 C ATOM 502 NE ARG A 31 -2.306 9.752 -5.906 1.00 0.00 N ATOM 503 CZ ARG A 31 -3.044 10.313 -4.943 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.366 10.166 -4.941 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.461 11.013 -3.975 1.00 0.00 N ATOM 0 H ARG A 31 1.847 6.603 -7.431 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.191 7.105 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.220 6.832 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.271 8.205 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.359 9.628 -8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.306 8.256 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.679 9.575 -7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.293 8.069 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.292 9.851 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.820 9.624 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.926 10.596 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.447 11.124 -3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.028 11.440 -3.242 1.00 0.00 H new ATOM 519 N GLY A 32 2.046 8.474 -9.910 1.00 0.00 N ATOM 520 CA GLY A 32 3.050 9.472 -10.189 1.00 0.00 C ATOM 521 C GLY A 32 4.388 9.098 -9.584 1.00 0.00 C ATOM 522 O GLY A 32 4.850 7.969 -9.758 1.00 0.00 O ATOM 0 H GLY A 32 2.056 7.671 -10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.157 9.590 -11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.727 10.435 -9.793 1.00 0.00 H new ATOM 526 N GLU A 33 4.999 10.018 -8.848 1.00 0.00 N ATOM 527 CA GLU A 33 6.337 9.790 -8.305 1.00 0.00 C ATOM 528 C GLU A 33 6.289 9.092 -6.948 1.00 0.00 C ATOM 529 O GLU A 33 7.326 8.803 -6.347 1.00 0.00 O ATOM 530 CB GLU A 33 7.101 11.113 -8.200 1.00 0.00 C ATOM 531 CG GLU A 33 7.251 11.822 -9.536 1.00 0.00 C ATOM 532 CD GLU A 33 7.843 10.926 -10.604 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.081 10.762 -10.633 1.00 0.00 O ATOM 534 OE2 GLU A 33 7.077 10.385 -11.426 1.00 0.00 O ATOM 0 H GLU A 33 4.594 10.924 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 33 6.863 9.129 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.583 11.771 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.090 10.923 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.275 12.179 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.886 12.699 -9.409 1.00 0.00 H new ATOM 541 N ASN A 34 5.086 8.818 -6.470 1.00 0.00 N ATOM 542 CA ASN A 34 4.901 8.070 -5.230 1.00 0.00 C ATOM 543 C ASN A 34 4.720 6.590 -5.539 1.00 0.00 C ATOM 544 O ASN A 34 3.842 6.210 -6.319 1.00 0.00 O ATOM 545 CB ASN A 34 3.702 8.607 -4.435 1.00 0.00 C ATOM 546 CG ASN A 34 2.479 8.831 -5.297 1.00 0.00 C ATOM 547 OD1 ASN A 34 1.632 7.954 -5.445 1.00 0.00 O ATOM 548 ND2 ASN A 34 2.380 10.018 -5.876 1.00 0.00 N ATOM 0 H ASN A 34 4.217 9.103 -6.922 1.00 0.00 H new ATOM 0 HA ASN A 34 5.791 8.197 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.456 7.904 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.980 9.546 -3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.579 10.230 -6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.105 10.720 -5.728 1.00 0.00 H new ATOM 555 N TYR A 35 5.568 5.759 -4.947 1.00 0.00 N ATOM 556 CA TYR A 35 5.565 4.333 -5.239 1.00 0.00 C ATOM 557 C TYR A 35 5.247 3.503 -4.003 1.00 0.00 C ATOM 558 O TYR A 35 5.747 3.775 -2.908 1.00 0.00 O ATOM 559 CB TYR A 35 6.918 3.901 -5.802 1.00 0.00 C ATOM 560 CG TYR A 35 7.277 4.571 -7.105 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.647 4.210 -8.288 1.00 0.00 C ATOM 562 CD2 TYR A 35 8.246 5.563 -7.155 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.975 4.814 -9.484 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.578 6.173 -8.345 1.00 0.00 C ATOM 565 CZ TYR A 35 7.938 5.797 -9.507 1.00 0.00 C ATOM 566 OH TYR A 35 8.272 6.399 -10.695 1.00 0.00 O ATOM 0 H TYR A 35 6.266 6.049 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 35 4.784 4.159 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.693 4.118 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.912 2.821 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.887 3.443 -8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.748 5.862 -6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.479 4.517 -10.397 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.336 6.942 -8.368 1.00 0.00 H new ATOM 0 HH TYR A 35 8.967 7.071 -10.537 1.00 0.00 H new ATOM 576 N VAL A 36 4.404 2.498 -4.195 1.00 0.00 N ATOM 577 CA VAL A 36 4.072 1.534 -3.156 1.00 0.00 C ATOM 578 C VAL A 36 4.015 0.131 -3.754 1.00 0.00 C ATOM 579 O VAL A 36 3.875 -0.032 -4.965 1.00 0.00 O ATOM 580 CB VAL A 36 2.723 1.853 -2.467 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.818 3.127 -1.644 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.603 1.969 -3.489 1.00 0.00 C ATOM 0 H VAL A 36 3.929 2.328 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 36 4.853 1.593 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 36 2.493 1.026 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.857 3.327 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.582 3.008 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.083 3.961 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.666 2.193 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.834 2.769 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.505 1.028 -4.030 1.00 0.00 H new ATOM 592 N TYR A 37 4.139 -0.877 -2.914 1.00 0.00 N ATOM 593 CA TYR A 37 4.100 -2.255 -3.376 1.00 0.00 C ATOM 594 C TYR A 37 3.153 -3.074 -2.515 1.00 0.00 C ATOM 595 O TYR A 37 3.331 -3.173 -1.301 1.00 0.00 O ATOM 596 CB TYR A 37 5.501 -2.869 -3.355 1.00 0.00 C ATOM 597 CG TYR A 37 6.445 -2.251 -4.358 1.00 0.00 C ATOM 598 CD1 TYR A 37 7.225 -1.152 -4.025 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.554 -2.768 -5.643 1.00 0.00 C ATOM 600 CE1 TYR A 37 8.085 -0.586 -4.942 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.415 -2.206 -6.566 1.00 0.00 C ATOM 602 CZ TYR A 37 8.178 -1.115 -6.208 1.00 0.00 C ATOM 603 OH TYR A 37 9.042 -0.552 -7.119 1.00 0.00 O ATOM 0 H TYR A 37 4.268 -0.771 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 37 3.735 -2.264 -4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.922 -2.759 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.423 -3.938 -3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.157 -0.734 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.956 -3.622 -5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.684 0.270 -4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.490 -2.619 -7.561 1.00 0.00 H new ATOM 0 HH TYR A 37 8.990 -1.043 -7.966 1.00 0.00 H new ATOM 613 N VAL A 38 2.136 -3.639 -3.143 1.00 0.00 N ATOM 614 CA VAL A 38 1.177 -4.470 -2.437 1.00 0.00 C ATOM 615 C VAL A 38 1.638 -5.921 -2.427 1.00 0.00 C ATOM 616 O VAL A 38 1.734 -6.567 -3.476 1.00 0.00 O ATOM 617 CB VAL A 38 -0.230 -4.379 -3.061 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.221 -5.241 -2.294 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.696 -2.934 -3.105 1.00 0.00 C ATOM 0 H VAL A 38 1.953 -3.537 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 38 1.118 -4.098 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.177 -4.757 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.206 -5.160 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.894 -6.280 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.274 -4.901 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.691 -2.886 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.730 -2.532 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.002 -2.346 -3.706 1.00 0.00 H new ATOM 629 N ASN A 39 1.936 -6.421 -1.243 1.00 0.00 N ATOM 630 CA ASN A 39 2.387 -7.793 -1.080 1.00 0.00 C ATOM 631 C ASN A 39 1.235 -8.745 -1.370 1.00 0.00 C ATOM 632 O ASN A 39 0.299 -8.854 -0.580 1.00 0.00 O ATOM 633 CB ASN A 39 2.905 -8.007 0.346 1.00 0.00 C ATOM 634 CG ASN A 39 3.849 -9.192 0.486 1.00 0.00 C ATOM 635 OD1 ASN A 39 4.734 -9.187 1.339 1.00 0.00 O ATOM 636 ND2 ASN A 39 3.677 -10.206 -0.346 1.00 0.00 N ATOM 0 H ASN A 39 1.874 -5.894 -0.372 1.00 0.00 H new ATOM 0 HA ASN A 39 3.199 -7.992 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.419 -7.104 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.055 -8.151 1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.290 -11.019 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.931 -10.174 -1.041 1.00 0.00 H new ATOM 643 N ARG A 40 1.303 -9.431 -2.503 1.00 0.00 N ATOM 644 CA ARG A 40 0.226 -10.324 -2.920 1.00 0.00 C ATOM 645 C ARG A 40 0.073 -11.479 -1.943 1.00 0.00 C ATOM 646 O ARG A 40 -1.039 -11.915 -1.652 1.00 0.00 O ATOM 647 CB ARG A 40 0.487 -10.848 -4.334 1.00 0.00 C ATOM 648 CG ARG A 40 -0.482 -11.926 -4.795 1.00 0.00 C ATOM 649 CD ARG A 40 -0.176 -12.348 -6.220 1.00 0.00 C ATOM 650 NE ARG A 40 -1.006 -13.470 -6.660 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.551 -13.563 -7.875 1.00 0.00 C ATOM 652 NH1 ARG A 40 -1.394 -12.581 -8.759 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.257 -14.638 -8.204 1.00 0.00 N ATOM 0 H ARG A 40 2.090 -9.388 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.706 -9.758 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.440 -10.012 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.501 -11.245 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.416 -12.789 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.505 -11.554 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.331 -11.501 -6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.875 -12.626 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.179 -14.227 -5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.855 -11.752 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.813 -12.657 -9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.383 -15.392 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.674 -14.710 -9.132 1.00 0.00 H new ATOM 667 N GLU A 41 1.191 -11.953 -1.420 1.00 0.00 N ATOM 668 CA GLU A 41 1.175 -13.055 -0.473 1.00 0.00 C ATOM 669 C GLU A 41 1.073 -12.558 0.966 1.00 0.00 C ATOM 670 O GLU A 41 1.517 -13.232 1.898 1.00 0.00 O ATOM 671 CB GLU A 41 2.414 -13.926 -0.656 1.00 0.00 C ATOM 672 CG GLU A 41 2.431 -14.654 -1.987 1.00 0.00 C ATOM 673 CD GLU A 41 1.131 -15.392 -2.246 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.917 -16.461 -1.640 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.309 -14.896 -3.045 1.00 0.00 O ATOM 0 H GLU A 41 2.121 -11.592 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 41 0.288 -13.656 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.305 -13.303 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.462 -14.656 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.608 -13.938 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.260 -15.362 -2.003 1.00 0.00 H new ATOM 682 N ALA A 42 0.475 -11.386 1.153 1.00 0.00 N ATOM 683 CA ALA A 42 0.170 -10.906 2.490 1.00 0.00 C ATOM 684 C ALA A 42 -1.084 -11.600 2.995 1.00 0.00 C ATOM 685 O ALA A 42 -2.159 -11.005 3.068 1.00 0.00 O ATOM 686 CB ALA A 42 -0.004 -9.396 2.509 1.00 0.00 C ATOM 0 H ALA A 42 0.195 -10.757 0.400 1.00 0.00 H new ATOM 0 HA ALA A 42 1.006 -11.142 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.231 -9.069 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.916 -8.919 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.822 -9.116 1.845 1.00 0.00 H new ATOM 692 N ARG A 43 -0.930 -12.873 3.336 1.00 0.00 N ATOM 693 CA ARG A 43 -2.051 -13.728 3.699 1.00 0.00 C ATOM 694 C ARG A 43 -2.556 -13.397 5.096 1.00 0.00 C ATOM 695 O ARG A 43 -3.593 -13.892 5.530 1.00 0.00 O ATOM 696 CB ARG A 43 -1.630 -15.198 3.609 1.00 0.00 C ATOM 697 CG ARG A 43 -1.133 -15.590 2.227 1.00 0.00 C ATOM 698 CD ARG A 43 -0.655 -17.029 2.192 1.00 0.00 C ATOM 699 NE ARG A 43 -0.191 -17.416 0.860 1.00 0.00 N ATOM 700 CZ ARG A 43 -0.137 -18.670 0.418 1.00 0.00 C ATOM 701 NH1 ARG A 43 -0.456 -19.681 1.220 1.00 0.00 N ATOM 702 NH2 ARG A 43 0.270 -18.906 -0.820 1.00 0.00 N ATOM 0 H ARG A 43 -0.024 -13.341 3.368 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.868 -13.550 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.844 -15.391 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.477 -15.830 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.934 -15.454 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.319 -14.928 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.154 -17.161 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.466 -17.689 2.500 1.00 0.00 H new ATOM 0 HE ARG A 43 0.111 -16.675 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.745 -19.498 2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.412 -20.640 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.539 -18.130 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.315 -19.864 -1.168 1.00 0.00 H new ATOM 716 N MET A 44 -1.807 -12.557 5.791 1.00 0.00 N ATOM 717 CA MET A 44 -2.215 -12.072 7.100 1.00 0.00 C ATOM 718 C MET A 44 -2.994 -10.769 6.965 1.00 0.00 C ATOM 719 O MET A 44 -3.727 -10.376 7.871 1.00 0.00 O ATOM 720 CB MET A 44 -0.996 -11.841 7.994 1.00 0.00 C ATOM 721 CG MET A 44 -0.188 -13.093 8.284 1.00 0.00 C ATOM 722 SD MET A 44 1.227 -12.755 9.345 1.00 0.00 S ATOM 723 CE MET A 44 1.973 -14.379 9.440 1.00 0.00 C ATOM 0 H MET A 44 -0.909 -12.195 5.469 1.00 0.00 H new ATOM 0 HA MET A 44 -2.853 -12.829 7.555 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.346 -11.105 7.520 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.329 -11.411 8.938 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.829 -13.835 8.760 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.158 -13.526 7.346 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.865 -14.334 10.065 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.261 -15.082 9.873 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.248 -14.712 8.439 1.00 0.00 H new ATOM 733 N GLY A 45 -2.823 -10.100 5.828 1.00 0.00 N ATOM 734 CA GLY A 45 -3.429 -8.795 5.625 1.00 0.00 C ATOM 735 C GLY A 45 -2.729 -7.708 6.423 1.00 0.00 C ATOM 736 O GLY A 45 -3.149 -6.552 6.421 1.00 0.00 O ATOM 0 H GLY A 45 -2.273 -10.441 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.398 -8.543 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.480 -8.835 5.912 1.00 0.00 H new ATOM 740 N ARG A 46 -1.647 -8.085 7.094 1.00 0.00 N ATOM 741 CA ARG A 46 -0.928 -7.185 7.974 1.00 0.00 C ATOM 742 C ARG A 46 0.196 -6.473 7.237 1.00 0.00 C ATOM 743 O ARG A 46 0.675 -5.434 7.676 1.00 0.00 O ATOM 744 CB ARG A 46 -0.339 -7.984 9.136 1.00 0.00 C ATOM 745 CG ARG A 46 -1.375 -8.736 9.951 1.00 0.00 C ATOM 746 CD ARG A 46 -0.750 -9.458 11.133 1.00 0.00 C ATOM 747 NE ARG A 46 -0.184 -8.528 12.108 1.00 0.00 N ATOM 748 CZ ARG A 46 1.091 -8.533 12.492 1.00 0.00 C ATOM 749 NH1 ARG A 46 1.943 -9.419 11.982 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.508 -7.655 13.393 1.00 0.00 N ATOM 0 H ARG A 46 -1.248 -9.022 7.041 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.627 -6.434 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.387 -8.696 8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.203 -7.305 9.794 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.131 -8.038 10.310 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.885 -9.458 9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.504 -10.078 11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.032 -10.128 10.776 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.805 -7.831 12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.620 -10.099 11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.919 -9.418 12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.853 -6.980 13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.484 -7.654 13.691 1.00 0.00 H new ATOM 764 N THR A 47 0.612 -7.041 6.118 1.00 0.00 N ATOM 765 CA THR A 47 1.782 -6.551 5.407 1.00 0.00 C ATOM 766 C THR A 47 1.456 -6.258 3.945 1.00 0.00 C ATOM 767 O THR A 47 2.326 -6.314 3.077 1.00 0.00 O ATOM 768 CB THR A 47 2.914 -7.592 5.492 1.00 0.00 C ATOM 769 OG1 THR A 47 2.457 -8.854 4.982 1.00 0.00 O ATOM 770 CG2 THR A 47 3.376 -7.767 6.932 1.00 0.00 C ATOM 0 H THR A 47 0.157 -7.843 5.681 1.00 0.00 H new ATOM 0 HA THR A 47 2.103 -5.621 5.876 1.00 0.00 H new ATOM 0 HB THR A 47 3.752 -7.236 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.182 -9.511 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.176 -8.506 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.744 -6.815 7.314 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.540 -8.105 7.544 1.00 0.00 H new ATOM 778 N ALA A 48 0.202 -5.912 3.690 1.00 0.00 N ATOM 779 CA ALA A 48 -0.281 -5.729 2.328 1.00 0.00 C ATOM 780 C ALA A 48 0.216 -4.426 1.708 1.00 0.00 C ATOM 781 O ALA A 48 0.522 -4.379 0.518 1.00 0.00 O ATOM 782 CB ALA A 48 -1.801 -5.776 2.305 1.00 0.00 C ATOM 0 H ALA A 48 -0.502 -5.752 4.411 1.00 0.00 H new ATOM 0 HA ALA A 48 0.120 -6.545 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.154 -5.638 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.141 -6.742 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.199 -4.982 2.936 1.00 0.00 H new ATOM 788 N LEU A 49 0.320 -3.378 2.515 1.00 0.00 N ATOM 789 CA LEU A 49 0.652 -2.059 1.993 1.00 0.00 C ATOM 790 C LEU A 49 2.078 -1.674 2.349 1.00 0.00 C ATOM 791 O LEU A 49 2.372 -1.305 3.483 1.00 0.00 O ATOM 792 CB LEU A 49 -0.323 -1.005 2.519 1.00 0.00 C ATOM 793 CG LEU A 49 -0.096 0.414 1.983 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.316 0.461 0.479 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.009 1.409 2.686 1.00 0.00 C ATOM 0 H LEU A 49 0.181 -3.414 3.525 1.00 0.00 H new ATOM 0 HA LEU A 49 0.567 -2.102 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.338 -1.314 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.256 -0.981 3.607 1.00 0.00 H new ATOM 0 HG LEU A 49 0.937 0.693 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.150 1.476 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.382 -0.217 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.338 0.158 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.831 2.409 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.049 1.131 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.801 1.400 3.756 1.00 0.00 H new ATOM 807 N ILE A 50 2.961 -1.761 1.377 1.00 0.00 N ATOM 808 CA ILE A 50 4.363 -1.458 1.590 1.00 0.00 C ATOM 809 C ILE A 50 4.749 -0.170 0.868 1.00 0.00 C ATOM 810 O ILE A 50 4.531 -0.037 -0.333 1.00 0.00 O ATOM 811 CB ILE A 50 5.231 -2.637 1.120 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.865 -3.885 1.931 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.704 -2.309 1.261 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.406 -5.173 1.360 1.00 0.00 C ATOM 0 H ILE A 50 2.731 -2.041 0.424 1.00 0.00 H new ATOM 0 HA ILE A 50 4.535 -1.306 2.656 1.00 0.00 H new ATOM 0 HB ILE A 50 5.039 -2.829 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.238 -3.766 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.779 -3.957 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.300 -3.157 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.942 -1.434 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.932 -2.100 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.102 -6.007 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.013 -5.319 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.494 -5.125 1.321 1.00 0.00 H new ATOM 826 N ILE A 51 5.313 0.781 1.611 1.00 0.00 N ATOM 827 CA ILE A 51 5.567 2.115 1.073 1.00 0.00 C ATOM 828 C ILE A 51 7.059 2.409 0.916 1.00 0.00 C ATOM 829 O ILE A 51 7.919 1.635 1.348 1.00 0.00 O ATOM 830 CB ILE A 51 4.942 3.219 1.960 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.662 3.301 3.310 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.453 2.965 2.165 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.228 4.476 4.162 1.00 0.00 C ATOM 0 H ILE A 51 5.601 0.653 2.581 1.00 0.00 H new ATOM 0 HA ILE A 51 5.099 2.124 0.088 1.00 0.00 H new ATOM 0 HB ILE A 51 5.061 4.174 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.485 2.378 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.736 3.367 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.032 3.752 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.948 2.961 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.312 2.000 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.781 4.468 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.430 5.406 3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.160 4.401 4.368 1.00 0.00 H new ATOM 845 N HIS A 52 7.336 3.555 0.304 1.00 0.00 N ATOM 846 CA HIS A 52 8.695 4.028 0.066 1.00 0.00 C ATOM 847 C HIS A 52 9.309 4.608 1.349 1.00 0.00 C ATOM 848 O HIS A 52 8.651 5.359 2.075 1.00 0.00 O ATOM 849 CB HIS A 52 8.652 5.095 -1.042 1.00 0.00 C ATOM 850 CG HIS A 52 9.973 5.727 -1.371 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.511 6.762 -0.639 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.856 5.477 -2.364 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.664 7.120 -1.166 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.900 6.359 -2.214 1.00 0.00 N ATOM 0 H HIS A 52 6.616 4.188 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 52 9.322 3.192 -0.246 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.249 4.640 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.957 5.879 -0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.759 4.724 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.308 7.906 -0.800 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.722 6.415 -2.816 1.00 0.00 H new ATOM 863 N PRO A 53 10.584 4.269 1.636 1.00 0.00 N ATOM 864 CA PRO A 53 11.329 4.804 2.791 1.00 0.00 C ATOM 865 C PRO A 53 11.466 6.307 2.729 1.00 0.00 C ATOM 866 O PRO A 53 12.344 6.811 2.027 1.00 0.00 O ATOM 867 CB PRO A 53 12.716 4.210 2.633 1.00 0.00 C ATOM 868 CG PRO A 53 12.516 2.989 1.810 1.00 0.00 C ATOM 869 CD PRO A 53 11.406 3.328 0.862 1.00 0.00 C ATOM 0 HA PRO A 53 10.825 4.561 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.393 4.910 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.155 3.967 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.426 2.724 1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.254 2.134 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.783 3.781 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.840 2.443 0.571 1.00 0.00 H new ATOM 877 N ARG A 54 10.614 7.011 3.455 1.00 0.00 N ATOM 878 CA ARG A 54 10.526 8.456 3.332 1.00 0.00 C ATOM 879 C ARG A 54 9.285 8.930 4.061 1.00 0.00 C ATOM 880 O ARG A 54 9.290 9.948 4.742 1.00 0.00 O ATOM 881 CB ARG A 54 10.460 8.800 1.838 1.00 0.00 C ATOM 882 CG ARG A 54 10.764 10.248 1.468 1.00 0.00 C ATOM 883 CD ARG A 54 9.531 11.137 1.498 1.00 0.00 C ATOM 884 NE ARG A 54 9.342 11.784 2.795 1.00 0.00 N ATOM 885 CZ ARG A 54 8.705 12.940 2.968 1.00 0.00 C ATOM 886 NH1 ARG A 54 8.137 13.556 1.937 1.00 0.00 N ATOM 887 NH2 ARG A 54 8.625 13.476 4.180 1.00 0.00 N ATOM 0 H ARG A 54 9.973 6.605 4.136 1.00 0.00 H new ATOM 0 HA ARG A 54 11.392 8.950 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.161 8.156 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.462 8.555 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.509 10.645 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.204 10.278 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.617 11.899 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.650 10.540 1.261 1.00 0.00 H new ATOM 0 HE ARG A 54 9.722 11.320 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.187 13.143 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.651 14.442 2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.051 13.002 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.137 14.362 4.315 1.00 0.00 H new ATOM 901 N LEU A 55 8.223 8.154 3.926 1.00 0.00 N ATOM 902 CA LEU A 55 6.947 8.484 4.535 1.00 0.00 C ATOM 903 C LEU A 55 6.704 7.671 5.796 1.00 0.00 C ATOM 904 O LEU A 55 5.584 7.608 6.294 1.00 0.00 O ATOM 905 CB LEU A 55 5.830 8.256 3.523 1.00 0.00 C ATOM 906 CG LEU A 55 5.655 9.391 2.521 1.00 0.00 C ATOM 907 CD1 LEU A 55 4.847 8.932 1.323 1.00 0.00 C ATOM 908 CD2 LEU A 55 4.984 10.570 3.203 1.00 0.00 C ATOM 0 H LEU A 55 8.221 7.283 3.395 1.00 0.00 H new ATOM 0 HA LEU A 55 6.963 9.534 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.031 7.333 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.892 8.112 4.060 1.00 0.00 H new ATOM 0 HG LEU A 55 6.636 9.700 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.735 9.759 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.362 8.106 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.863 8.601 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.859 11.382 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.008 10.265 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.603 10.911 4.033 1.00 0.00 H new ATOM 920 N LYS A 56 7.760 7.059 6.313 1.00 0.00 N ATOM 921 CA LYS A 56 7.669 6.260 7.526 1.00 0.00 C ATOM 922 C LYS A 56 7.213 7.125 8.700 1.00 0.00 C ATOM 923 O LYS A 56 6.244 6.798 9.388 1.00 0.00 O ATOM 924 CB LYS A 56 9.019 5.611 7.835 1.00 0.00 C ATOM 925 CG LYS A 56 8.978 4.623 8.987 1.00 0.00 C ATOM 926 CD LYS A 56 10.333 3.969 9.190 1.00 0.00 C ATOM 927 CE LYS A 56 10.294 2.932 10.297 1.00 0.00 C ATOM 928 NZ LYS A 56 11.608 2.261 10.471 1.00 0.00 N ATOM 0 H LYS A 56 8.695 7.101 5.908 1.00 0.00 H new ATOM 0 HA LYS A 56 6.932 5.473 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.377 5.098 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.743 6.393 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.677 5.136 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.227 3.858 8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.653 3.498 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.073 4.732 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.003 3.410 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.532 2.186 10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.555 1.596 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.850 1.742 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.340 2.975 10.663 1.00 0.00 H new ATOM 942 N ASP A 57 7.904 8.242 8.899 1.00 0.00 N ATOM 943 CA ASP A 57 7.608 9.152 10.005 1.00 0.00 C ATOM 944 C ASP A 57 6.221 9.765 9.843 1.00 0.00 C ATOM 945 O ASP A 57 5.508 9.976 10.822 1.00 0.00 O ATOM 946 CB ASP A 57 8.669 10.260 10.101 1.00 0.00 C ATOM 947 CG ASP A 57 8.602 11.259 8.958 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.873 10.872 7.802 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.285 12.443 9.216 1.00 0.00 O ATOM 0 H ASP A 57 8.678 8.542 8.306 1.00 0.00 H new ATOM 0 HA ASP A 57 7.627 8.574 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.546 10.790 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.659 9.804 10.118 1.00 0.00 H new ATOM 954 N ARG A 58 5.844 10.032 8.598 1.00 0.00 N ATOM 955 CA ARG A 58 4.524 10.568 8.288 1.00 0.00 C ATOM 956 C ARG A 58 3.446 9.528 8.578 1.00 0.00 C ATOM 957 O ARG A 58 2.476 9.798 9.284 1.00 0.00 O ATOM 958 CB ARG A 58 4.473 10.991 6.815 1.00 0.00 C ATOM 959 CG ARG A 58 3.113 11.488 6.352 1.00 0.00 C ATOM 960 CD ARG A 58 2.694 12.756 7.072 1.00 0.00 C ATOM 961 NE ARG A 58 1.399 13.248 6.600 1.00 0.00 N ATOM 962 CZ ARG A 58 0.852 14.394 7.002 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.496 15.164 7.875 1.00 0.00 N ATOM 964 NH2 ARG A 58 -0.333 14.763 6.528 1.00 0.00 N ATOM 0 H ARG A 58 6.438 9.885 7.782 1.00 0.00 H new ATOM 0 HA ARG A 58 4.338 11.439 8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.209 11.777 6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.767 10.144 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.142 11.674 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.367 10.712 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.641 12.565 8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.451 13.526 6.923 1.00 0.00 H new ATOM 0 HE ARG A 58 0.886 12.681 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.406 14.876 8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.080 16.042 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.822 14.169 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.754 15.640 6.834 1.00 0.00 H new ATOM 978 N SER A 59 3.637 8.338 8.029 1.00 0.00 N ATOM 979 CA SER A 59 2.690 7.244 8.177 1.00 0.00 C ATOM 980 C SER A 59 2.493 6.840 9.643 1.00 0.00 C ATOM 981 O SER A 59 1.398 6.429 10.031 1.00 0.00 O ATOM 982 CB SER A 59 3.162 6.052 7.333 1.00 0.00 C ATOM 983 OG SER A 59 2.651 4.818 7.813 1.00 0.00 O ATOM 0 H SER A 59 4.455 8.103 7.467 1.00 0.00 H new ATOM 0 HA SER A 59 1.717 7.581 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.849 6.195 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.251 6.017 7.334 1.00 0.00 H new ATOM 0 HG SER A 59 3.230 4.086 7.515 1.00 0.00 H new ATOM 989 N SER A 60 3.544 6.966 10.450 1.00 0.00 N ATOM 990 CA SER A 60 3.503 6.527 11.847 1.00 0.00 C ATOM 991 C SER A 60 2.428 7.254 12.664 1.00 0.00 C ATOM 992 O SER A 60 1.910 6.707 13.638 1.00 0.00 O ATOM 993 CB SER A 60 4.874 6.711 12.503 1.00 0.00 C ATOM 994 OG SER A 60 5.856 5.919 11.856 1.00 0.00 O ATOM 0 H SER A 60 4.436 7.368 10.162 1.00 0.00 H new ATOM 0 HA SER A 60 3.240 5.469 11.838 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.163 7.761 12.462 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.817 6.437 13.557 1.00 0.00 H new ATOM 0 HG SER A 60 6.155 6.371 11.040 1.00 0.00 H new ATOM 1000 N SER A 61 2.081 8.473 12.267 1.00 0.00 N ATOM 1001 CA SER A 61 1.087 9.255 12.999 1.00 0.00 C ATOM 1002 C SER A 61 -0.337 8.839 12.627 1.00 0.00 C ATOM 1003 O SER A 61 -1.308 9.300 13.230 1.00 0.00 O ATOM 1004 CB SER A 61 1.282 10.747 12.720 1.00 0.00 C ATOM 1005 OG SER A 61 2.591 11.166 13.067 1.00 0.00 O ATOM 0 H SER A 61 2.469 8.940 11.448 1.00 0.00 H new ATOM 0 HA SER A 61 1.229 9.062 14.062 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.100 10.949 11.664 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.551 11.324 13.286 1.00 0.00 H new ATOM 0 HG SER A 61 2.689 12.122 12.877 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.457 7.963 11.638 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.763 7.544 11.148 1.00 0.00 C ATOM 1013 C LEU A 62 -1.962 6.044 11.329 1.00 0.00 C ATOM 1014 O LEU A 62 -2.963 5.601 11.893 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.912 7.913 9.672 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.791 9.404 9.357 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.832 9.629 7.856 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.901 10.184 10.045 1.00 0.00 C ATOM 0 H LEU A 62 0.333 7.530 11.160 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.525 8.063 11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.155 7.375 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.883 7.562 9.323 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.834 9.764 9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.745 10.695 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.005 9.097 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.776 9.256 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.800 11.244 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.869 9.825 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.830 10.043 11.124 1.00 0.00 H new ATOM 1030 N ALA A 63 -1.001 5.270 10.845 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.070 3.819 10.914 1.00 0.00 C ATOM 1032 C ALA A 63 0.313 3.235 11.151 1.00 0.00 C ATOM 1033 O ALA A 63 1.248 3.493 10.386 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.674 3.260 9.637 1.00 0.00 C ATOM 0 H ALA A 63 -0.158 5.628 10.397 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.710 3.538 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.720 2.173 9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.680 3.658 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.056 3.547 8.786 1.00 0.00 H new ATOM 1040 N ASP A 64 0.435 2.449 12.209 1.00 0.00 N ATOM 1041 CA ASP A 64 1.709 1.852 12.585 1.00 0.00 C ATOM 1042 C ASP A 64 2.041 0.666 11.679 1.00 0.00 C ATOM 1043 O ASP A 64 1.150 -0.070 11.252 1.00 0.00 O ATOM 1044 CB ASP A 64 1.689 1.418 14.057 1.00 0.00 C ATOM 1045 CG ASP A 64 0.591 0.418 14.370 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -0.587 0.831 14.459 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.902 -0.776 14.555 1.00 0.00 O ATOM 0 H ASP A 64 -0.339 2.208 12.828 1.00 0.00 H new ATOM 0 HA ASP A 64 2.487 2.605 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.654 0.981 14.313 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.561 2.298 14.687 1.00 0.00 H new ATOM 1052 N PRO A 65 3.333 0.486 11.351 1.00 0.00 N ATOM 1053 CA PRO A 65 3.790 -0.590 10.471 1.00 0.00 C ATOM 1054 C PRO A 65 3.771 -1.955 11.154 1.00 0.00 C ATOM 1055 O PRO A 65 3.979 -2.061 12.365 1.00 0.00 O ATOM 1056 CB PRO A 65 5.235 -0.195 10.122 1.00 0.00 C ATOM 1057 CG PRO A 65 5.436 1.174 10.686 1.00 0.00 C ATOM 1058 CD PRO A 65 4.452 1.316 11.806 1.00 0.00 C ATOM 0 HA PRO A 65 3.140 -0.694 9.602 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.947 -0.901 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.391 -0.199 9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.457 1.300 11.047 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.271 1.936 9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.861 0.963 12.753 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.153 2.354 11.955 1.00 0.00 H new ATOM 1066 N ALA A 66 3.545 -3.000 10.362 1.00 0.00 N ATOM 1067 CA ALA A 66 3.491 -4.370 10.876 1.00 0.00 C ATOM 1068 C ALA A 66 4.891 -4.939 11.048 1.00 0.00 C ATOM 1069 O ALA A 66 5.069 -6.084 11.455 1.00 0.00 O ATOM 1070 CB ALA A 66 2.694 -5.247 9.929 1.00 0.00 C ATOM 0 H ALA A 66 3.395 -2.925 9.356 1.00 0.00 H new ATOM 0 HA ALA A 66 3.003 -4.351 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.658 -6.264 10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.680 -4.857 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.170 -5.250 8.948 1.00 0.00 H new ATOM 1076 N SER A 67 5.873 -4.122 10.717 1.00 0.00 N ATOM 1077 CA SER A 67 7.265 -4.514 10.757 1.00 0.00 C ATOM 1078 C SER A 67 8.122 -3.261 10.748 1.00 0.00 C ATOM 1079 O SER A 67 7.873 -2.318 11.501 1.00 0.00 O ATOM 1080 CB SER A 67 7.578 -5.416 9.555 1.00 0.00 C ATOM 1081 OG SER A 67 8.888 -5.955 9.632 1.00 0.00 O ATOM 0 H SER A 67 5.724 -3.161 10.411 1.00 0.00 H new ATOM 0 HA SER A 67 7.480 -5.079 11.664 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.852 -6.228 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.473 -4.844 8.633 1.00 0.00 H new ATOM 0 HG SER A 67 9.053 -6.525 8.852 1.00 0.00 H new ATOM 1087 N ASP A 68 9.088 -3.256 9.869 1.00 0.00 N ATOM 1088 CA ASP A 68 9.969 -2.114 9.681 1.00 0.00 C ATOM 1089 C ASP A 68 10.571 -2.175 8.293 1.00 0.00 C ATOM 1090 O ASP A 68 10.577 -1.188 7.560 1.00 0.00 O ATOM 1091 CB ASP A 68 11.099 -2.126 10.717 1.00 0.00 C ATOM 1092 CG ASP A 68 11.760 -0.770 10.873 1.00 0.00 C ATOM 1093 OD1 ASP A 68 12.683 -0.450 10.099 1.00 0.00 O ATOM 1094 OD2 ASP A 68 11.353 -0.005 11.775 1.00 0.00 O ATOM 0 H ASP A 68 9.294 -4.044 9.255 1.00 0.00 H new ATOM 0 HA ASP A 68 9.389 -1.200 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.701 -2.445 11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.849 -2.860 10.423 1.00 0.00 H new ATOM 1099 N ILE A 69 11.041 -3.357 7.933 1.00 0.00 N ATOM 1100 CA ILE A 69 11.627 -3.599 6.628 1.00 0.00 C ATOM 1101 C ILE A 69 11.370 -5.029 6.186 1.00 0.00 C ATOM 1102 O ILE A 69 11.364 -5.954 6.999 1.00 0.00 O ATOM 1103 CB ILE A 69 13.147 -3.344 6.623 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.743 -3.773 7.962 1.00 0.00 C ATOM 1105 CG2 ILE A 69 13.445 -1.879 6.333 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.253 -3.677 8.023 1.00 0.00 C ATOM 0 H ILE A 69 11.026 -4.177 8.540 1.00 0.00 H new ATOM 0 HA ILE A 69 11.155 -2.902 5.936 1.00 0.00 H new ATOM 0 HB ILE A 69 13.606 -3.936 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.318 -3.154 8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.446 -4.801 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.523 -1.720 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.040 -1.611 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.986 -1.256 7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.599 -3.999 9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.690 -4.318 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.559 -2.645 7.851 1.00 0.00 H new ATOM 1118 N LYS A 70 11.144 -5.192 4.902 1.00 0.00 N ATOM 1119 CA LYS A 70 10.956 -6.508 4.306 1.00 0.00 C ATOM 1120 C LYS A 70 11.695 -6.588 2.981 1.00 0.00 C ATOM 1121 O LYS A 70 11.620 -5.668 2.166 1.00 0.00 O ATOM 1122 CB LYS A 70 9.472 -6.817 4.074 1.00 0.00 C ATOM 1123 CG LYS A 70 9.248 -8.173 3.416 1.00 0.00 C ATOM 1124 CD LYS A 70 7.793 -8.400 3.039 1.00 0.00 C ATOM 1125 CE LYS A 70 7.609 -9.727 2.311 1.00 0.00 C ATOM 1126 NZ LYS A 70 8.279 -9.742 0.978 1.00 0.00 N ATOM 0 H LYS A 70 11.084 -4.421 4.237 1.00 0.00 H new ATOM 0 HA LYS A 70 11.356 -7.245 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.946 -6.790 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.037 -6.038 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.868 -8.247 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.572 -8.962 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.176 -8.387 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.448 -7.584 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.009 -10.534 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.545 -9.923 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.169 -10.681 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.845 -9.024 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.291 -9.532 1.096 1.00 0.00 H new ATOM 1140 N THR A 71 12.398 -7.686 2.770 1.00 0.00 N ATOM 1141 CA THR A 71 13.137 -7.892 1.544 1.00 0.00 C ATOM 1142 C THR A 71 12.286 -8.621 0.506 1.00 0.00 C ATOM 1143 O THR A 71 11.412 -9.427 0.857 1.00 0.00 O ATOM 1144 CB THR A 71 14.430 -8.682 1.818 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.133 -9.875 2.560 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.418 -7.830 2.598 1.00 0.00 C ATOM 0 H THR A 71 12.471 -8.452 3.439 1.00 0.00 H new ATOM 0 HA THR A 71 13.401 -6.913 1.144 1.00 0.00 H new ATOM 0 HB THR A 71 14.875 -8.955 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.962 -10.371 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.326 -8.404 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.663 -6.938 2.022 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.974 -7.537 3.549 1.00 0.00 H new ATOM 1154 N CYS A 72 12.518 -8.289 -0.761 1.00 0.00 N ATOM 1155 CA CYS A 72 11.849 -8.921 -1.895 1.00 0.00 C ATOM 1156 C CYS A 72 12.267 -8.219 -3.176 1.00 0.00 C ATOM 1157 O CYS A 72 12.080 -7.011 -3.310 1.00 0.00 O ATOM 1158 CB CYS A 72 10.327 -8.858 -1.751 1.00 0.00 C ATOM 1159 SG CYS A 72 9.420 -9.695 -3.071 1.00 0.00 S ATOM 0 H CYS A 72 13.183 -7.565 -1.033 1.00 0.00 H new ATOM 0 HA CYS A 72 12.142 -9.970 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.046 -9.301 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.020 -7.813 -1.721 1.00 0.00 H new ATOM 0 HG CYS A 72 8.142 -9.586 -2.856 1.00 0.00 H new ATOM 1165 N ASP A 73 12.815 -8.984 -4.113 1.00 0.00 N ATOM 1166 CA ASP A 73 13.346 -8.443 -5.366 1.00 0.00 C ATOM 1167 C ASP A 73 12.308 -7.613 -6.122 1.00 0.00 C ATOM 1168 O ASP A 73 12.656 -6.721 -6.893 1.00 0.00 O ATOM 1169 CB ASP A 73 13.846 -9.585 -6.255 1.00 0.00 C ATOM 1170 CG ASP A 73 14.403 -9.097 -7.577 1.00 0.00 C ATOM 1171 OD1 ASP A 73 15.501 -8.501 -7.577 1.00 0.00 O ATOM 1172 OD2 ASP A 73 13.754 -9.312 -8.619 1.00 0.00 O ATOM 0 H ASP A 73 12.905 -9.997 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 73 14.173 -7.780 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.618 -10.142 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.026 -10.278 -6.445 1.00 0.00 H new ATOM 1177 N HIS A 74 11.035 -7.893 -5.880 1.00 0.00 N ATOM 1178 CA HIS A 74 9.960 -7.198 -6.575 1.00 0.00 C ATOM 1179 C HIS A 74 9.871 -5.728 -6.175 1.00 0.00 C ATOM 1180 O HIS A 74 9.521 -4.882 -7.000 1.00 0.00 O ATOM 1181 CB HIS A 74 8.620 -7.887 -6.324 1.00 0.00 C ATOM 1182 CG HIS A 74 8.451 -9.161 -7.086 1.00 0.00 C ATOM 1183 ND1 HIS A 74 7.470 -10.080 -6.801 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.129 -9.653 -8.149 1.00 0.00 C ATOM 1185 CE1 HIS A 74 7.551 -11.084 -7.656 1.00 0.00 C ATOM 1186 NE2 HIS A 74 8.549 -10.848 -8.485 1.00 0.00 N ATOM 0 H HIS A 74 10.722 -8.595 -5.209 1.00 0.00 H new ATOM 0 HA HIS A 74 10.193 -7.239 -7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.522 -8.095 -5.259 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.814 -7.204 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.971 -9.190 -8.641 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.908 -11.952 -7.673 1.00 0.00 H new ATOM 0 HE2 HIS A 74 8.841 -11.455 -9.251 1.00 0.00 H new ATOM 1195 N TYR A 75 10.197 -5.405 -4.929 1.00 0.00 N ATOM 1196 CA TYR A 75 10.064 -4.027 -4.475 1.00 0.00 C ATOM 1197 C TYR A 75 11.380 -3.288 -4.637 1.00 0.00 C ATOM 1198 O TYR A 75 12.105 -3.113 -3.659 1.00 0.00 O ATOM 1199 CB TYR A 75 9.655 -3.908 -2.995 1.00 0.00 C ATOM 1200 CG TYR A 75 8.821 -5.032 -2.418 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.801 -5.645 -3.134 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.063 -5.467 -1.121 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.052 -6.663 -2.573 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.319 -6.480 -0.555 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.315 -7.075 -1.282 1.00 0.00 C ATOM 1206 OH TYR A 75 6.578 -8.094 -0.720 1.00 0.00 O ATOM 0 H TYR A 75 10.547 -6.061 -4.230 1.00 0.00 H new ATOM 0 HA TYR A 75 9.277 -3.593 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.563 -3.820 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.101 -2.977 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.590 -5.322 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.849 -5.002 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.264 -7.134 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.524 -6.805 0.454 1.00 0.00 H new ATOM 0 HH TYR A 75 6.087 -7.753 0.056 1.00 0.00 H new ATOM 1216 N GLN A 76 11.727 -2.876 -5.856 1.00 0.00 N ATOM 1217 CA GLN A 76 12.906 -2.055 -6.024 1.00 0.00 C ATOM 1218 C GLN A 76 12.736 -0.793 -5.196 1.00 0.00 C ATOM 1219 O GLN A 76 13.638 -0.409 -4.449 1.00 0.00 O ATOM 1220 CB GLN A 76 13.167 -1.728 -7.493 1.00 0.00 C ATOM 1221 CG GLN A 76 12.003 -1.067 -8.214 1.00 0.00 C ATOM 1222 CD GLN A 76 12.341 -0.705 -9.647 1.00 0.00 C ATOM 1223 OE1 GLN A 76 12.832 0.390 -9.923 1.00 0.00 O ATOM 1224 NE2 GLN A 76 12.082 -1.619 -10.568 1.00 0.00 N ATOM 0 H GLN A 76 11.220 -3.094 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 76 13.780 -2.607 -5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.035 -1.072 -7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.424 -2.649 -8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.145 -1.739 -8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.709 -0.167 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.675 -2.514 -10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.290 -1.428 -11.548 1.00 0.00 H new ATOM 1233 N ASN A 77 11.555 -0.173 -5.332 1.00 0.00 N ATOM 1234 CA ASN A 77 11.085 0.876 -4.436 1.00 0.00 C ATOM 1235 C ASN A 77 11.964 2.131 -4.460 1.00 0.00 C ATOM 1236 O ASN A 77 11.632 3.128 -3.826 1.00 0.00 O ATOM 1237 CB ASN A 77 10.995 0.269 -3.047 1.00 0.00 C ATOM 1238 CG ASN A 77 10.355 1.151 -2.015 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.529 2.016 -2.302 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.733 0.898 -0.793 1.00 0.00 N ATOM 0 H ASN A 77 10.896 -0.394 -6.079 1.00 0.00 H new ATOM 0 HA ASN A 77 10.108 1.227 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.432 -0.662 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.000 0.012 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.339 1.430 -0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.422 0.168 -0.613 1.00 0.00 H new ATOM 1247 N PHE A 78 13.056 2.051 -5.226 1.00 0.00 N ATOM 1248 CA PHE A 78 14.046 3.126 -5.447 1.00 0.00 C ATOM 1249 C PHE A 78 15.342 2.953 -4.632 1.00 0.00 C ATOM 1250 O PHE A 78 16.409 2.840 -5.232 1.00 0.00 O ATOM 1251 CB PHE A 78 13.469 4.541 -5.250 1.00 0.00 C ATOM 1252 CG PHE A 78 14.440 5.642 -5.590 1.00 0.00 C ATOM 1253 CD1 PHE A 78 14.637 6.025 -6.909 1.00 0.00 C ATOM 1254 CD2 PHE A 78 15.159 6.287 -4.595 1.00 0.00 C ATOM 1255 CE1 PHE A 78 15.532 7.030 -7.226 1.00 0.00 C ATOM 1256 CE2 PHE A 78 16.055 7.292 -4.907 1.00 0.00 C ATOM 1257 CZ PHE A 78 16.241 7.664 -6.224 1.00 0.00 C ATOM 0 H PHE A 78 13.291 1.199 -5.735 1.00 0.00 H new ATOM 0 HA PHE A 78 14.311 3.023 -6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 78 12.578 4.650 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.153 4.654 -4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 78 14.085 5.533 -7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.017 6.000 -3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.677 7.319 -8.256 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.609 7.786 -4.122 1.00 0.00 H new ATOM 0 HZ PHE A 78 16.940 8.450 -6.470 1.00 0.00 H new ATOM 1267 N PRO A 79 15.307 2.927 -3.282 1.00 0.00 N ATOM 1268 CA PRO A 79 16.534 2.948 -2.469 1.00 0.00 C ATOM 1269 C PRO A 79 17.446 1.743 -2.685 1.00 0.00 C ATOM 1270 O PRO A 79 18.611 1.916 -3.054 1.00 0.00 O ATOM 1271 CB PRO A 79 16.005 2.989 -1.030 1.00 0.00 C ATOM 1272 CG PRO A 79 14.618 3.503 -1.173 1.00 0.00 C ATOM 1273 CD PRO A 79 14.118 2.885 -2.430 1.00 0.00 C ATOM 0 HA PRO A 79 17.167 3.794 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.019 2.001 -0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.610 3.642 -0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.001 3.222 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.602 4.591 -1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.765 1.866 -2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.288 3.447 -2.859 1.00 0.00 H new ATOM 1281 N LEU A 80 16.914 0.538 -2.469 1.00 0.00 N ATOM 1282 CA LEU A 80 17.720 -0.695 -2.514 1.00 0.00 C ATOM 1283 C LEU A 80 18.730 -0.714 -1.367 1.00 0.00 C ATOM 1284 O LEU A 80 19.597 0.156 -1.268 1.00 0.00 O ATOM 1285 CB LEU A 80 18.434 -0.826 -3.865 1.00 0.00 C ATOM 1286 CG LEU A 80 17.841 -1.834 -4.844 1.00 0.00 C ATOM 1287 CD1 LEU A 80 18.628 -1.834 -6.143 1.00 0.00 C ATOM 1288 CD2 LEU A 80 17.836 -3.217 -4.232 1.00 0.00 C ATOM 0 H LEU A 80 15.927 0.384 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 80 17.051 -1.548 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.443 0.153 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.473 -1.099 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 80 16.813 -1.545 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.193 -2.558 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.592 -0.841 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.665 -2.103 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.410 -3.927 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.857 -3.512 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.237 -3.210 -3.322 1.00 0.00 H new ATOM 1300 N TYR A 81 18.613 -1.709 -0.500 1.00 0.00 N ATOM 1301 CA TYR A 81 19.429 -1.763 0.702 1.00 0.00 C ATOM 1302 C TYR A 81 20.897 -1.978 0.353 1.00 0.00 C ATOM 1303 O TYR A 81 21.242 -2.853 -0.441 1.00 0.00 O ATOM 1304 CB TYR A 81 18.935 -2.867 1.638 1.00 0.00 C ATOM 1305 CG TYR A 81 19.637 -2.870 2.974 1.00 0.00 C ATOM 1306 CD1 TYR A 81 19.268 -1.976 3.971 1.00 0.00 C ATOM 1307 CD2 TYR A 81 20.678 -3.750 3.234 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.921 -1.958 5.186 1.00 0.00 C ATOM 1309 CE2 TYR A 81 21.330 -3.741 4.447 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.950 -2.843 5.418 1.00 0.00 C ATOM 1311 OH TYR A 81 21.615 -2.819 6.621 1.00 0.00 O ATOM 0 H TYR A 81 17.963 -2.487 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 81 19.338 -0.806 1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.863 -2.747 1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.079 -3.834 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.458 -1.285 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.982 -4.453 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.627 -1.254 5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 81 22.136 -4.435 4.635 1.00 0.00 H new ATOM 0 HH TYR A 81 22.312 -3.508 6.623 1.00 0.00 H new ATOM 1401 N GLU A 88 19.397 -5.720 -1.454 1.00 0.00 N ATOM 1402 CA GLU A 88 18.067 -6.288 -1.427 1.00 0.00 C ATOM 1403 C GLU A 88 17.019 -5.217 -1.610 1.00 0.00 C ATOM 1404 O GLU A 88 17.069 -4.148 -0.994 1.00 0.00 O ATOM 1405 CB GLU A 88 17.805 -7.084 -0.143 1.00 0.00 C ATOM 1406 CG GLU A 88 18.317 -6.430 1.128 1.00 0.00 C ATOM 1407 CD GLU A 88 19.767 -6.768 1.408 1.00 0.00 C ATOM 1408 OE1 GLU A 88 20.025 -7.839 2.005 1.00 0.00 O ATOM 1409 OE2 GLU A 88 20.645 -5.974 1.028 1.00 0.00 O ATOM 0 HA GLU A 88 18.002 -6.986 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.731 -7.245 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.267 -8.066 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.208 -5.349 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.703 -6.749 1.970 1.00 0.00 H new ATOM 1416 N HIS A 89 16.094 -5.507 -2.500 1.00 0.00 N ATOM 1417 CA HIS A 89 14.969 -4.632 -2.753 1.00 0.00 C ATOM 1418 C HIS A 89 14.044 -4.720 -1.541 1.00 0.00 C ATOM 1419 O HIS A 89 13.663 -5.821 -1.142 1.00 0.00 O ATOM 1420 CB HIS A 89 14.233 -5.076 -4.029 1.00 0.00 C ATOM 1421 CG HIS A 89 15.101 -5.222 -5.254 1.00 0.00 C ATOM 1422 ND1 HIS A 89 14.806 -4.635 -6.467 1.00 0.00 N ATOM 1423 CD2 HIS A 89 16.245 -5.921 -5.456 1.00 0.00 C ATOM 1424 CE1 HIS A 89 15.727 -4.968 -7.353 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.610 -5.745 -6.765 1.00 0.00 N ATOM 0 H HIS A 89 16.100 -6.354 -3.068 1.00 0.00 H new ATOM 0 HA HIS A 89 15.301 -3.605 -2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.745 -6.031 -3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.446 -4.354 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.772 -6.509 -4.720 1.00 0.00 H new ATOM 0 HE1 HIS A 89 15.751 -4.655 -8.386 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.433 -6.151 -7.211 1.00 0.00 H new ATOM 1434 N TYR A 90 13.702 -3.593 -0.933 1.00 0.00 N ATOM 1435 CA TYR A 90 12.997 -3.633 0.346 1.00 0.00 C ATOM 1436 C TYR A 90 11.935 -2.545 0.456 1.00 0.00 C ATOM 1437 O TYR A 90 11.930 -1.579 -0.309 1.00 0.00 O ATOM 1438 CB TYR A 90 13.991 -3.496 1.507 1.00 0.00 C ATOM 1439 CG TYR A 90 14.558 -2.099 1.676 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.493 -1.593 0.782 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.161 -1.289 2.735 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.012 -0.322 0.935 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.676 -0.017 2.893 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.602 0.460 1.991 1.00 0.00 C ATOM 1445 OH TYR A 90 16.121 1.723 2.145 1.00 0.00 O ATOM 0 H TYR A 90 13.894 -2.658 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 90 12.493 -4.598 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.495 -3.789 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.814 -4.194 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.820 -2.204 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.438 -1.661 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.736 0.057 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.355 0.600 3.719 1.00 0.00 H new ATOM 0 HH TYR A 90 15.728 2.144 2.938 1.00 0.00 H new ATOM 1455 N GLY A 91 11.056 -2.712 1.435 1.00 0.00 N ATOM 1456 CA GLY A 91 10.022 -1.734 1.708 1.00 0.00 C ATOM 1457 C GLY A 91 9.522 -1.836 3.138 1.00 0.00 C ATOM 1458 O GLY A 91 9.953 -2.718 3.885 1.00 0.00 O ATOM 0 H GLY A 91 11.042 -3.522 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.411 -0.732 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.190 -1.881 1.019 1.00 0.00 H new ATOM 1462 N ILE A 92 8.607 -0.949 3.513 1.00 0.00 N ATOM 1463 CA ILE A 92 8.078 -0.915 4.873 1.00 0.00 C ATOM 1464 C ILE A 92 6.619 -1.384 4.903 1.00 0.00 C ATOM 1465 O ILE A 92 5.731 -0.715 4.363 1.00 0.00 O ATOM 1466 CB ILE A 92 8.183 0.507 5.463 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.623 1.016 5.333 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.736 0.518 6.922 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.807 2.462 5.732 1.00 0.00 C ATOM 0 H ILE A 92 8.215 -0.241 2.892 1.00 0.00 H new ATOM 0 HA ILE A 92 8.676 -1.594 5.481 1.00 0.00 H new ATOM 0 HB ILE A 92 7.523 1.171 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.273 0.395 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.949 0.891 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.817 1.530 7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.700 0.184 6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.371 -0.152 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.853 2.743 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.186 3.096 5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.515 2.592 6.774 1.00 0.00 H new ATOM 1481 N PRO A 93 6.362 -2.548 5.529 1.00 0.00 N ATOM 1482 CA PRO A 93 5.029 -3.173 5.576 1.00 0.00 C ATOM 1483 C PRO A 93 4.017 -2.418 6.439 1.00 0.00 C ATOM 1484 O PRO A 93 4.340 -1.929 7.523 1.00 0.00 O ATOM 1485 CB PRO A 93 5.291 -4.553 6.194 1.00 0.00 C ATOM 1486 CG PRO A 93 6.765 -4.742 6.142 1.00 0.00 C ATOM 1487 CD PRO A 93 7.361 -3.369 6.226 1.00 0.00 C ATOM 0 HA PRO A 93 4.588 -3.193 4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.926 -4.598 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.776 -5.336 5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.108 -5.367 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.062 -5.241 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.501 -3.049 7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.337 -3.319 5.742 1.00 0.00 H new ATOM 1495 N HIS A 94 2.788 -2.337 5.944 1.00 0.00 N ATOM 1496 CA HIS A 94 1.674 -1.752 6.683 1.00 0.00 C ATOM 1497 C HIS A 94 0.437 -2.611 6.486 1.00 0.00 C ATOM 1498 O HIS A 94 0.443 -3.522 5.657 1.00 0.00 O ATOM 1499 CB HIS A 94 1.371 -0.328 6.204 1.00 0.00 C ATOM 1500 CG HIS A 94 2.472 0.652 6.444 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.599 0.717 5.662 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.608 1.617 7.380 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.383 1.678 6.104 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.807 2.247 7.148 1.00 0.00 N ATOM 0 H HIS A 94 2.534 -2.676 5.016 1.00 0.00 H new ATOM 0 HA HIS A 94 1.950 -1.711 7.737 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.152 -0.356 5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.470 0.027 6.705 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.798 0.115 4.863 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.904 1.850 8.165 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.338 1.955 5.683 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.632 -2.285 7.192 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.840 -3.077 7.119 1.00 0.00 C ATOM 1515 C GLY A 95 -2.955 -2.463 7.929 1.00 0.00 C ATOM 1516 O GLY A 95 -2.708 -1.655 8.827 1.00 0.00 O ATOM 0 H GLY A 95 -0.685 -1.481 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.153 -3.170 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.638 -4.085 7.482 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.184 -2.834 7.609 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.349 -2.179 8.178 1.00 0.00 C ATOM 1522 C PHE A 96 -6.387 -3.209 8.593 1.00 0.00 C ATOM 1523 O PHE A 96 -6.105 -4.402 8.617 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.942 -1.198 7.159 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.984 -0.114 6.758 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.116 -0.301 5.695 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.936 1.081 7.454 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.219 0.684 5.335 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -4.043 2.071 7.095 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.183 1.872 6.035 1.00 0.00 C ATOM 0 H PHE A 96 -4.400 -3.587 6.956 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.046 -1.625 9.066 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.250 -1.749 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.839 -0.744 7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.141 -1.228 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.604 1.241 8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.546 0.525 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -4.018 3.001 7.644 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.483 2.645 5.754 1.00 0.00 H new ATOM 1540 N SER A 97 -7.591 -2.750 8.881 1.00 0.00 N ATOM 1541 CA SER A 97 -8.638 -3.629 9.372 1.00 0.00 C ATOM 1542 C SER A 97 -10.017 -3.077 8.994 1.00 0.00 C ATOM 1543 O SER A 97 -11.047 -3.529 9.499 1.00 0.00 O ATOM 1544 CB SER A 97 -8.493 -3.759 10.898 1.00 0.00 C ATOM 1545 OG SER A 97 -9.387 -4.713 11.450 1.00 0.00 O ATOM 0 H SER A 97 -7.869 -1.773 8.784 1.00 0.00 H new ATOM 0 HA SER A 97 -8.543 -4.615 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 97 -7.469 -4.044 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.672 -2.788 11.361 1.00 0.00 H new ATOM 0 HG SER A 97 -10.248 -4.663 10.984 1.00 0.00 H new ATOM 1551 N SER A 98 -10.022 -2.112 8.076 1.00 0.00 N ATOM 1552 CA SER A 98 -11.253 -1.523 7.553 1.00 0.00 C ATOM 1553 C SER A 98 -10.943 -0.779 6.254 1.00 0.00 C ATOM 1554 O SER A 98 -9.920 -0.098 6.157 1.00 0.00 O ATOM 1555 CB SER A 98 -11.883 -0.558 8.569 1.00 0.00 C ATOM 1556 OG SER A 98 -12.268 -1.232 9.759 1.00 0.00 O ATOM 0 H SER A 98 -9.172 -1.716 7.674 1.00 0.00 H new ATOM 0 HA SER A 98 -11.967 -2.324 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.172 0.232 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.754 -0.077 8.124 1.00 0.00 H new ATOM 0 HG SER A 98 -12.162 -2.199 9.636 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.804 -0.934 5.255 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.609 -0.274 3.966 1.00 0.00 C ATOM 1564 C ARG A 99 -11.589 1.244 4.103 1.00 0.00 C ATOM 1565 O ARG A 99 -10.694 1.904 3.578 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.684 -0.698 2.968 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.359 -1.989 2.238 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.436 -2.343 1.228 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.779 -1.207 0.369 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.068 -1.307 -0.929 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -13.904 -2.459 -1.571 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -14.483 -0.234 -1.592 1.00 0.00 N ATOM 0 H ARG A 99 -12.644 -1.510 5.311 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.636 -0.589 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.631 -0.817 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.824 0.098 2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.400 -1.889 1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.254 -2.800 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.095 -3.174 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.329 -2.682 1.754 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.798 -0.279 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.554 -3.276 -1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.128 -2.526 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.579 0.659 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.706 -0.303 -2.585 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.573 1.795 4.808 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.633 3.239 5.025 1.00 0.00 C ATOM 1588 C ILE A 100 -11.385 3.727 5.760 1.00 0.00 C ATOM 1589 O ILE A 100 -10.917 4.838 5.526 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.899 3.661 5.811 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.972 5.187 5.949 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.917 3.010 7.183 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.019 5.924 4.626 1.00 0.00 C ATOM 0 H ILE A 100 -13.335 1.269 5.236 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.680 3.704 4.040 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.771 3.323 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.857 5.447 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.107 5.532 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.814 3.318 7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.916 1.926 7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.034 3.318 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.070 6.997 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.122 5.696 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.899 5.610 4.065 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.844 2.883 6.636 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.616 3.207 7.346 1.00 0.00 C ATOM 1607 C ALA A 101 -8.495 3.444 6.352 1.00 0.00 C ATOM 1608 O ALA A 101 -7.885 4.508 6.338 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.244 2.095 8.313 1.00 0.00 C ATOM 0 H ALA A 101 -11.239 1.972 6.869 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.775 4.117 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.323 2.358 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.045 1.961 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.096 1.167 7.761 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.260 2.454 5.501 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.263 2.561 4.445 1.00 0.00 C ATOM 1617 C LEU A 102 -7.531 3.790 3.582 1.00 0.00 C ATOM 1618 O LEU A 102 -6.612 4.537 3.253 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.277 1.290 3.588 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.422 1.331 2.317 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.963 1.602 2.650 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.556 0.026 1.555 1.00 0.00 C ATOM 0 H LEU A 102 -8.751 1.560 5.523 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.278 2.671 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.939 0.456 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.308 1.078 3.303 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.782 2.146 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.378 1.626 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.878 2.562 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.585 0.812 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.944 0.066 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.221 -0.799 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.599 -0.129 1.279 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.799 4.009 3.261 1.00 0.00 N ATOM 1635 CA GLU A 103 -9.207 5.120 2.412 1.00 0.00 C ATOM 1636 C GLU A 103 -8.786 6.465 3.023 1.00 0.00 C ATOM 1637 O GLU A 103 -8.059 7.241 2.400 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.725 5.071 2.202 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.171 5.590 0.846 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.639 5.323 0.571 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.490 6.098 1.059 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -12.945 4.342 -0.144 1.00 0.00 O ATOM 0 H GLU A 103 -9.571 3.424 3.580 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.708 5.027 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.066 4.042 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.210 5.657 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.985 6.663 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.569 5.123 0.067 1.00 0.00 H new ATOM 1649 N ARG A 104 -9.233 6.729 4.247 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.927 7.994 4.917 1.00 0.00 C ATOM 1651 C ARG A 104 -7.458 8.093 5.337 1.00 0.00 C ATOM 1652 O ARG A 104 -6.922 9.190 5.482 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.837 8.209 6.126 1.00 0.00 C ATOM 1654 CG ARG A 104 -9.842 7.087 7.147 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.736 7.444 8.322 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.111 6.280 9.125 1.00 0.00 N ATOM 1657 CZ ARG A 104 -12.071 6.303 10.052 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -12.706 7.439 10.325 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -12.398 5.197 10.708 1.00 0.00 N ATOM 0 H ARG A 104 -9.806 6.088 4.796 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.113 8.784 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.537 9.130 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.856 8.357 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.192 6.165 6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.827 6.901 7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.223 8.167 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.639 7.930 7.951 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.612 5.404 8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.460 8.294 9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.440 7.456 11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.915 4.322 10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.133 5.222 11.415 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.812 6.961 5.548 1.00 0.00 N ATOM 1674 CA TYR A 105 -5.400 6.962 5.888 1.00 0.00 C ATOM 1675 C TYR A 105 -4.537 7.259 4.666 1.00 0.00 C ATOM 1676 O TYR A 105 -3.530 7.954 4.777 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.993 5.652 6.558 1.00 0.00 C ATOM 1678 CG TYR A 105 -5.437 5.573 8.006 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -5.425 6.703 8.816 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.879 4.378 8.558 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.838 6.644 10.131 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -6.296 4.312 9.872 1.00 0.00 C ATOM 1683 CZ TYR A 105 -6.273 5.446 10.654 1.00 0.00 C ATOM 1684 OH TYR A 105 -6.692 5.387 11.964 1.00 0.00 O ATOM 0 H TYR A 105 -7.238 6.036 5.491 1.00 0.00 H new ATOM 0 HA TYR A 105 -5.231 7.763 6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.422 4.817 6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.909 5.544 6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -5.086 7.644 8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.897 3.486 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.820 7.531 10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.639 3.375 10.286 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.968 4.471 12.178 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.928 6.746 3.499 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.283 7.145 2.248 1.00 0.00 C ATOM 1696 C LEU A 106 -4.464 8.645 2.049 1.00 0.00 C ATOM 1697 O LEU A 106 -3.559 9.348 1.600 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.876 6.394 1.050 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.594 4.891 1.004 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.292 4.260 -0.189 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.096 4.627 0.945 1.00 0.00 C ATOM 0 H LEU A 106 -5.678 6.063 3.394 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.224 6.897 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.956 6.543 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.492 6.845 0.135 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.985 4.439 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.083 3.190 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.367 4.418 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.927 4.719 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.917 3.552 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.680 5.091 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.617 5.048 1.829 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.655 9.106 2.403 1.00 0.00 N ATOM 1714 CA ASN A 107 -6.010 10.523 2.388 1.00 0.00 C ATOM 1715 C ASN A 107 -5.021 11.336 3.212 1.00 0.00 C ATOM 1716 O ASN A 107 -4.480 12.340 2.756 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.405 10.670 2.984 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.953 12.078 2.928 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.741 12.878 3.842 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.691 12.383 1.877 1.00 0.00 N ATOM 0 H ASN A 107 -6.414 8.500 2.713 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.985 10.892 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.087 10.005 2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.381 10.341 4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.110 13.310 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.842 11.692 1.142 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.806 10.892 4.434 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.879 11.564 5.325 1.00 0.00 C ATOM 1729 C GLY A 108 -2.425 11.440 4.894 1.00 0.00 C ATOM 1730 O GLY A 108 -1.671 12.419 4.941 1.00 0.00 O ATOM 0 H GLY A 108 -5.259 10.070 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.144 12.620 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.989 11.152 6.328 1.00 0.00 H new ATOM 1734 N LEU A 109 -2.033 10.243 4.469 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.637 9.951 4.150 1.00 0.00 C ATOM 1736 C LEU A 109 -0.227 10.525 2.795 1.00 0.00 C ATOM 1737 O LEU A 109 0.640 11.392 2.724 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.403 8.436 4.179 1.00 0.00 C ATOM 1739 CG LEU A 109 1.021 7.971 3.852 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.022 8.584 4.816 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.108 6.454 3.903 1.00 0.00 C ATOM 0 H LEU A 109 -2.666 9.454 4.336 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.016 10.431 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.666 8.066 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.088 7.969 3.472 1.00 0.00 H new ATOM 0 HG LEU A 109 1.264 8.304 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.026 8.240 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.981 9.671 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.779 8.281 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.125 6.140 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.842 6.108 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.419 6.025 3.175 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.854 10.046 1.729 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.470 10.448 0.379 1.00 0.00 C ATOM 1755 C PHE A 110 -1.258 11.666 -0.080 1.00 0.00 C ATOM 1756 O PHE A 110 -0.901 12.316 -1.067 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.687 9.299 -0.608 1.00 0.00 C ATOM 1758 CG PHE A 110 0.193 8.107 -0.357 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.520 8.118 -0.754 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.310 6.976 0.265 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.333 7.024 -0.528 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.499 5.878 0.494 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.822 5.903 0.094 1.00 0.00 C ATOM 0 H PHE A 110 -1.627 9.382 1.770 1.00 0.00 H new ATOM 0 HA PHE A 110 0.588 10.707 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.730 8.985 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.509 9.663 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.923 8.991 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.344 6.951 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.367 7.046 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.098 5.003 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.455 5.046 0.268 1.00 0.00 H new