USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 885 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 64 ASN : amide:sc= -1.2! C(o=-0.87!,f=-5.4!) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= 0.33 F(o=-5.7,f=-0.87) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.311 (180deg=-1.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 30 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 32 TYR OH : rot -151:sc= -0.862 USER MOD Single : A 37 THR OG1 : rot 26:sc= -3.19! USER MOD Single : A 41 TYR OH : rot 63:sc= -0.312 USER MOD Single : A 45 LYS NZ :NH3+ 133:sc= -2.74 (180deg=-3.75!) USER MOD Single : A 46 THR OG1 : rot -108:sc= -0.941 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 51 ASN : amide:sc= -0.748 K(o=-0.75,f=-4.3!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -4.68 X(o=-4.7,f=-4.6!) USER MOD Single : A 60 TYR OH : rot -100:sc= -2.39! USER MOD Single : A 66 CYS SG : rot 180:sc= -6.61! USER MOD Single : A 67 SER OG : rot 97:sc= -0.893! USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -1.17 USER MOD Single : A 78 THR OG1 : rot 63:sc= -1.26! USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -1.63! C(o=-3.7!,f=-1.6!) USER MOD Single : A 91 GLN : amide:sc= -0.715 K(o=-0.72,f=-3.8!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -8.7! C(o=-10!,f=-8.7!) USER MOD Single : A 100 SER OG : rot -179:sc= -3.6! USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 161:sc= -0.0859 (180deg=-0.689) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 139:sc= -0.506 (180deg=-1.75) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 103.489 -5.921 12.413 1.00 0.00 N ATOM 36 CA PRO A 3 103.461 -6.754 11.176 1.00 0.00 C ATOM 37 C PRO A 3 102.542 -7.973 11.322 1.00 0.00 C ATOM 38 O PRO A 3 102.995 -9.092 11.461 1.00 0.00 O ATOM 39 CB PRO A 3 104.915 -7.198 11.001 1.00 0.00 C ATOM 40 CG PRO A 3 105.731 -6.161 11.700 1.00 0.00 C ATOM 41 CD PRO A 3 104.865 -5.611 12.834 1.00 0.00 C ATOM 0 HA PRO A 3 103.072 -6.199 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.079 -8.185 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.182 -7.263 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.652 -6.592 12.091 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.018 -5.366 11.012 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.107 -6.083 13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 3 105.011 -4.539 12.964 1.00 0.00 H new ATOM 49 N GLU A 4 101.254 -7.762 11.296 1.00 0.00 N ATOM 50 CA GLU A 4 100.309 -8.905 11.436 1.00 0.00 C ATOM 51 C GLU A 4 100.132 -9.597 10.082 1.00 0.00 C ATOM 52 O GLU A 4 99.974 -10.799 10.008 1.00 0.00 O ATOM 53 CB GLU A 4 98.953 -8.387 11.935 1.00 0.00 C ATOM 54 CG GLU A 4 98.691 -8.902 13.353 1.00 0.00 C ATOM 55 CD GLU A 4 99.854 -8.507 14.265 1.00 0.00 C ATOM 56 OE1 GLU A 4 100.592 -7.608 13.896 1.00 0.00 O ATOM 57 OE2 GLU A 4 99.986 -9.109 15.318 1.00 0.00 O ATOM 0 H GLU A 4 100.816 -6.848 11.184 1.00 0.00 H new ATOM 0 HA GLU A 4 100.709 -9.622 12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.944 -7.297 11.927 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.159 -8.717 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 4 97.759 -8.487 13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.576 -9.986 13.342 1.00 0.00 H new ATOM 64 N PHE A 5 100.156 -8.852 9.012 1.00 0.00 N ATOM 65 CA PHE A 5 99.988 -9.479 7.671 1.00 0.00 C ATOM 66 C PHE A 5 101.059 -10.554 7.478 1.00 0.00 C ATOM 67 O PHE A 5 101.028 -11.312 6.529 1.00 0.00 O ATOM 68 CB PHE A 5 100.123 -8.416 6.575 1.00 0.00 C ATOM 69 CG PHE A 5 99.463 -8.919 5.313 1.00 0.00 C ATOM 70 CD1 PHE A 5 98.069 -9.016 5.242 1.00 0.00 C ATOM 71 CD2 PHE A 5 100.244 -9.300 4.216 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.457 -9.493 4.081 1.00 0.00 C ATOM 73 CE2 PHE A 5 99.631 -9.776 3.051 1.00 0.00 C ATOM 74 CZ PHE A 5 98.238 -9.874 2.984 1.00 0.00 C ATOM 0 H PHE A 5 100.284 -7.840 9.008 1.00 0.00 H new ATOM 0 HA PHE A 5 98.998 -9.931 7.606 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.658 -7.484 6.896 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.175 -8.200 6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.465 -8.721 6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 5 101.320 -9.227 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.381 -9.568 4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 5 100.234 -10.068 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.765 -10.244 2.086 1.00 0.00 H new ATOM 84 N LEU A 6 102.008 -10.627 8.372 1.00 0.00 N ATOM 85 CA LEU A 6 103.078 -11.653 8.241 1.00 0.00 C ATOM 86 C LEU A 6 102.651 -12.927 8.969 1.00 0.00 C ATOM 87 O LEU A 6 102.780 -14.022 8.457 1.00 0.00 O ATOM 88 CB LEU A 6 104.375 -11.123 8.857 1.00 0.00 C ATOM 89 CG LEU A 6 104.751 -9.795 8.199 1.00 0.00 C ATOM 90 CD1 LEU A 6 106.117 -9.338 8.716 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.820 -9.977 6.681 1.00 0.00 C ATOM 0 H LEU A 6 102.087 -10.019 9.187 1.00 0.00 H new ATOM 0 HA LEU A 6 103.243 -11.873 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.250 -10.985 9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.177 -11.848 8.720 1.00 0.00 H new ATOM 0 HG LEU A 6 103.998 -9.045 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.385 -8.391 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.072 -9.207 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.868 -10.089 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 6 105.088 -9.030 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.572 -10.727 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.849 -10.303 6.309 1.00 0.00 H new ATOM 103 N LYS A 7 102.142 -12.793 10.160 1.00 0.00 N ATOM 104 CA LYS A 7 101.704 -13.992 10.925 1.00 0.00 C ATOM 105 C LYS A 7 100.256 -14.329 10.559 1.00 0.00 C ATOM 106 O LYS A 7 99.696 -15.295 11.034 1.00 0.00 O ATOM 107 CB LYS A 7 101.797 -13.703 12.426 1.00 0.00 C ATOM 108 CG LYS A 7 103.217 -13.997 12.917 1.00 0.00 C ATOM 109 CD LYS A 7 103.357 -13.550 14.374 1.00 0.00 C ATOM 110 CE LYS A 7 102.725 -14.598 15.294 1.00 0.00 C ATOM 111 NZ LYS A 7 103.045 -14.270 16.711 1.00 0.00 N ATOM 0 H LYS A 7 102.010 -11.902 10.638 1.00 0.00 H new ATOM 0 HA LYS A 7 102.348 -14.836 10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 7 101.541 -12.662 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 7 101.079 -14.316 12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.430 -15.063 12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.944 -13.475 12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.409 -13.418 14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 7 102.871 -12.585 14.517 1.00 0.00 H new ATOM 0 HE2 LYS A 7 101.645 -14.621 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 7 103.101 -15.590 15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 102.616 -14.981 17.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.077 -14.269 16.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.666 -13.330 16.944 1.00 0.00 H new ATOM 125 N ALA A 8 99.650 -13.537 9.718 1.00 0.00 N ATOM 126 CA ALA A 8 98.239 -13.809 9.322 1.00 0.00 C ATOM 127 C ALA A 8 98.050 -15.310 9.097 1.00 0.00 C ATOM 128 O ALA A 8 98.967 -16.010 8.719 1.00 0.00 O ATOM 129 CB ALA A 8 97.921 -13.055 8.028 1.00 0.00 C ATOM 0 H ALA A 8 100.071 -12.713 9.288 1.00 0.00 H new ATOM 0 HA ALA A 8 97.568 -13.475 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.890 -13.252 7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.055 -11.985 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.592 -13.390 7.237 1.00 0.00 H new ATOM 135 N GLY A 9 96.864 -15.808 9.327 1.00 0.00 N ATOM 136 CA GLY A 9 96.611 -17.265 9.129 1.00 0.00 C ATOM 137 C GLY A 9 96.147 -17.887 10.447 1.00 0.00 C ATOM 138 O GLY A 9 96.852 -18.669 11.055 1.00 0.00 O ATOM 0 H GLY A 9 96.059 -15.268 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 9 95.854 -17.412 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.519 -17.758 8.782 1.00 0.00 H new ATOM 142 N LYS A 10 94.969 -17.546 10.893 1.00 0.00 N ATOM 143 CA LYS A 10 94.461 -18.115 12.171 1.00 0.00 C ATOM 144 C LYS A 10 93.008 -18.561 11.991 1.00 0.00 C ATOM 145 O LYS A 10 92.329 -18.898 12.941 1.00 0.00 O ATOM 146 CB LYS A 10 94.540 -17.049 13.268 1.00 0.00 C ATOM 147 CG LYS A 10 94.434 -15.660 12.634 1.00 0.00 C ATOM 148 CD LYS A 10 94.394 -14.599 13.733 1.00 0.00 C ATOM 149 CE LYS A 10 94.927 -13.275 13.186 1.00 0.00 C ATOM 150 NZ LYS A 10 94.944 -12.257 14.274 1.00 0.00 N ATOM 0 H LYS A 10 94.336 -16.897 10.426 1.00 0.00 H new ATOM 0 HA LYS A 10 95.069 -18.974 12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 10 93.736 -17.194 13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.479 -17.141 13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 10 95.284 -15.484 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 10 93.536 -15.597 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 10 93.373 -14.471 14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 10 94.994 -14.920 14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 10 95.932 -13.413 12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 10 94.301 -12.932 12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 95.307 -11.356 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 93.979 -12.119 14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 95.559 -12.585 15.046 1.00 0.00 H new ATOM 164 N GLU A 11 92.524 -18.569 10.778 1.00 0.00 N ATOM 165 CA GLU A 11 91.117 -18.997 10.540 1.00 0.00 C ATOM 166 C GLU A 11 90.860 -19.090 9.032 1.00 0.00 C ATOM 167 O GLU A 11 91.303 -18.253 8.271 1.00 0.00 O ATOM 168 CB GLU A 11 90.162 -17.972 11.155 1.00 0.00 C ATOM 169 CG GLU A 11 90.661 -16.558 10.847 1.00 0.00 C ATOM 170 CD GLU A 11 89.490 -15.578 10.907 1.00 0.00 C ATOM 171 OE1 GLU A 11 89.377 -14.764 10.004 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.724 -15.656 11.853 1.00 0.00 O ATOM 0 H GLU A 11 93.043 -18.298 9.943 1.00 0.00 H new ATOM 0 HA GLU A 11 90.951 -19.972 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.158 -18.110 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.099 -18.120 12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.429 -16.268 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.121 -16.531 9.859 1.00 0.00 H new ATOM 179 N PRO A 12 90.147 -20.100 8.601 1.00 0.00 N ATOM 180 CA PRO A 12 89.828 -20.299 7.158 1.00 0.00 C ATOM 181 C PRO A 12 88.778 -19.304 6.653 1.00 0.00 C ATOM 182 O PRO A 12 87.596 -19.590 6.642 1.00 0.00 O ATOM 183 CB PRO A 12 89.280 -21.726 7.098 1.00 0.00 C ATOM 184 CG PRO A 12 88.736 -21.996 8.460 1.00 0.00 C ATOM 185 CD PRO A 12 89.568 -21.164 9.439 1.00 0.00 C ATOM 0 HA PRO A 12 90.702 -20.141 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.503 -21.817 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 12 90.064 -22.438 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.683 -21.722 8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.803 -23.057 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.951 -20.752 10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.344 -21.765 9.914 1.00 0.00 H new ATOM 193 N GLY A 13 89.197 -18.141 6.234 1.00 0.00 N ATOM 194 CA GLY A 13 88.217 -17.138 5.733 1.00 0.00 C ATOM 195 C GLY A 13 88.958 -16.021 4.997 1.00 0.00 C ATOM 196 O GLY A 13 89.454 -16.206 3.903 1.00 0.00 O ATOM 0 H GLY A 13 90.172 -17.843 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.502 -17.616 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.648 -16.724 6.565 1.00 0.00 H new ATOM 200 N LEU A 14 89.036 -14.861 5.589 1.00 0.00 N ATOM 201 CA LEU A 14 89.742 -13.730 4.925 1.00 0.00 C ATOM 202 C LEU A 14 90.072 -12.652 5.959 1.00 0.00 C ATOM 203 O LEU A 14 89.376 -12.488 6.942 1.00 0.00 O ATOM 204 CB LEU A 14 88.840 -13.139 3.835 1.00 0.00 C ATOM 205 CG LEU A 14 89.484 -11.871 3.257 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.295 -11.842 1.738 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.821 -10.634 3.870 1.00 0.00 C ATOM 0 H LEU A 14 88.641 -14.648 6.505 1.00 0.00 H new ATOM 0 HA LEU A 14 90.667 -14.092 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.683 -13.872 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.860 -12.903 4.250 1.00 0.00 H new ATOM 0 HG LEU A 14 90.548 -11.872 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 14 89.753 -10.941 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 14 89.766 -12.720 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.230 -11.845 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.279 -9.734 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 14 87.756 -10.638 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 14 88.955 -10.648 4.952 1.00 0.00 H new ATOM 219 N GLN A 15 91.127 -11.913 5.745 1.00 0.00 N ATOM 220 CA GLN A 15 91.501 -10.845 6.716 1.00 0.00 C ATOM 221 C GLN A 15 92.134 -9.672 5.963 1.00 0.00 C ATOM 222 O GLN A 15 92.894 -9.858 5.033 1.00 0.00 O ATOM 223 CB GLN A 15 92.501 -11.402 7.728 1.00 0.00 C ATOM 224 CG GLN A 15 91.794 -12.394 8.655 1.00 0.00 C ATOM 225 CD GLN A 15 92.690 -12.696 9.856 1.00 0.00 C ATOM 226 OE1 GLN A 15 92.408 -12.273 10.961 1.00 0.00 O ATOM 227 NE2 GLN A 15 93.766 -13.415 9.689 1.00 0.00 N ATOM 0 H GLN A 15 91.746 -12.003 4.939 1.00 0.00 H new ATOM 0 HA GLN A 15 90.609 -10.502 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.322 -11.896 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.935 -10.590 8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 15 90.844 -11.980 8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.568 -13.314 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.003 -13.770 8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.370 -13.622 10.485 1.00 0.00 H new ATOM 236 N ILE A 16 91.822 -8.465 6.354 1.00 0.00 N ATOM 237 CA ILE A 16 92.400 -7.278 5.659 1.00 0.00 C ATOM 238 C ILE A 16 93.318 -6.510 6.614 1.00 0.00 C ATOM 239 O ILE A 16 93.111 -6.493 7.811 1.00 0.00 O ATOM 240 CB ILE A 16 91.265 -6.354 5.203 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.347 -7.103 4.223 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.855 -5.119 4.516 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.901 -7.038 4.720 1.00 0.00 C ATOM 0 H ILE A 16 91.191 -8.250 7.126 1.00 0.00 H new ATOM 0 HA ILE A 16 92.975 -7.614 4.796 1.00 0.00 H new ATOM 0 HB ILE A 16 90.683 -6.042 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.421 -6.660 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.665 -8.142 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.048 -4.462 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.498 -4.585 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.440 -5.429 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.253 -7.570 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.833 -7.501 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.586 -5.997 4.787 1.00 0.00 H new ATOM 255 N TRP A 17 94.332 -5.872 6.091 1.00 0.00 N ATOM 256 CA TRP A 17 95.259 -5.101 6.969 1.00 0.00 C ATOM 257 C TRP A 17 95.740 -3.854 6.219 1.00 0.00 C ATOM 258 O TRP A 17 96.099 -3.919 5.061 1.00 0.00 O ATOM 259 CB TRP A 17 96.461 -5.976 7.331 1.00 0.00 C ATOM 260 CG TRP A 17 96.273 -6.567 8.693 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.416 -5.891 9.856 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.916 -7.934 9.054 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.171 -6.757 10.908 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.861 -8.026 10.465 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.641 -9.090 8.303 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.543 -9.226 11.105 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.322 -10.297 8.944 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.274 -10.365 10.342 1.00 0.00 C ATOM 0 H TRP A 17 94.557 -5.852 5.096 1.00 0.00 H new ATOM 0 HA TRP A 17 94.741 -4.803 7.881 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.578 -6.770 6.594 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.374 -5.382 7.307 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.678 -4.847 9.949 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.214 -6.489 11.891 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.675 -9.049 7.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.505 -9.273 12.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.112 -11.178 8.356 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.029 -11.297 10.830 1.00 0.00 H new ATOM 279 N ARG A 18 95.751 -2.721 6.867 1.00 0.00 N ATOM 280 CA ARG A 18 96.212 -1.480 6.182 1.00 0.00 C ATOM 281 C ARG A 18 97.709 -1.289 6.431 1.00 0.00 C ATOM 282 O ARG A 18 98.211 -1.569 7.501 1.00 0.00 O ATOM 283 CB ARG A 18 95.444 -0.275 6.731 1.00 0.00 C ATOM 284 CG ARG A 18 96.152 1.019 6.315 1.00 0.00 C ATOM 285 CD ARG A 18 95.245 2.221 6.598 1.00 0.00 C ATOM 286 NE ARG A 18 96.024 3.272 7.313 1.00 0.00 N ATOM 287 CZ ARG A 18 95.411 4.306 7.820 1.00 0.00 C ATOM 288 NH1 ARG A 18 96.093 5.226 8.446 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.117 4.421 7.699 1.00 0.00 N ATOM 0 H ARG A 18 95.462 -2.601 7.838 1.00 0.00 H new ATOM 0 HA ARG A 18 96.029 -1.567 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.422 -0.280 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.382 -0.335 7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.090 1.123 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.403 0.983 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 18 94.848 2.619 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.391 1.912 7.201 1.00 0.00 H new ATOM 0 HE ARG A 18 97.036 3.183 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 18 97.105 5.136 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 18 95.614 6.035 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.585 3.703 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.638 5.229 8.095 1.00 0.00 H new ATOM 303 N VAL A 19 98.427 -0.811 5.452 1.00 0.00 N ATOM 304 CA VAL A 19 99.890 -0.602 5.636 1.00 0.00 C ATOM 305 C VAL A 19 100.128 0.709 6.387 1.00 0.00 C ATOM 306 O VAL A 19 99.759 1.772 5.931 1.00 0.00 O ATOM 307 CB VAL A 19 100.572 -0.532 4.269 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.213 0.789 3.588 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.090 -0.610 4.456 1.00 0.00 C ATOM 0 H VAL A 19 98.064 -0.556 4.534 1.00 0.00 H new ATOM 0 HA VAL A 19 100.304 -1.432 6.209 1.00 0.00 H new ATOM 0 HB VAL A 19 100.235 -1.364 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.699 0.840 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.132 0.850 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.552 1.621 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.579 -0.560 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.424 0.224 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.349 -1.549 4.945 1.00 0.00 H new ATOM 319 N GLU A 20 100.747 0.643 7.534 1.00 0.00 N ATOM 320 CA GLU A 20 101.011 1.890 8.303 1.00 0.00 C ATOM 321 C GLU A 20 102.154 2.656 7.639 1.00 0.00 C ATOM 322 O GLU A 20 103.053 2.076 7.065 1.00 0.00 O ATOM 323 CB GLU A 20 101.396 1.534 9.740 1.00 0.00 C ATOM 324 CG GLU A 20 101.167 2.742 10.652 1.00 0.00 C ATOM 325 CD GLU A 20 102.272 3.774 10.423 1.00 0.00 C ATOM 326 OE1 GLU A 20 103.426 3.378 10.375 1.00 0.00 O ATOM 327 OE2 GLU A 20 101.948 4.943 10.297 1.00 0.00 O ATOM 0 H GLU A 20 101.080 -0.217 7.970 1.00 0.00 H new ATOM 0 HA GLU A 20 100.115 2.510 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.803 0.688 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.442 1.229 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.193 3.186 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.160 2.427 11.695 1.00 0.00 H new ATOM 334 N LYS A 21 102.126 3.957 7.711 1.00 0.00 N ATOM 335 CA LYS A 21 103.208 4.764 7.080 1.00 0.00 C ATOM 336 C LYS A 21 104.573 4.156 7.416 1.00 0.00 C ATOM 337 O LYS A 21 105.579 4.515 6.839 1.00 0.00 O ATOM 338 CB LYS A 21 103.144 6.199 7.608 1.00 0.00 C ATOM 339 CG LYS A 21 101.973 6.932 6.949 1.00 0.00 C ATOM 340 CD LYS A 21 101.943 8.385 7.428 1.00 0.00 C ATOM 341 CE LYS A 21 101.283 9.263 6.362 1.00 0.00 C ATOM 342 NZ LYS A 21 100.228 8.479 5.657 1.00 0.00 N ATOM 0 H LYS A 21 101.400 4.498 8.180 1.00 0.00 H new ATOM 0 HA LYS A 21 103.073 4.765 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 21 103.021 6.194 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 21 104.078 6.718 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 21 102.074 6.898 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 21 101.034 6.437 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 21 101.392 8.458 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.956 8.735 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 21 100.846 10.148 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 21 102.030 9.612 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 99.536 9.130 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 100.665 7.904 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 99.746 7.856 6.336 1.00 0.00 H new ATOM 356 N PHE A 22 104.618 3.237 8.344 1.00 0.00 N ATOM 357 CA PHE A 22 105.924 2.613 8.705 1.00 0.00 C ATOM 358 C PHE A 22 105.683 1.348 9.533 1.00 0.00 C ATOM 359 O PHE A 22 106.489 0.975 10.360 1.00 0.00 O ATOM 360 CB PHE A 22 106.753 3.606 9.522 1.00 0.00 C ATOM 361 CG PHE A 22 108.221 3.293 9.357 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.954 2.783 10.434 1.00 0.00 C ATOM 363 CD2 PHE A 22 108.847 3.511 8.124 1.00 0.00 C ATOM 364 CE1 PHE A 22 110.316 2.491 10.280 1.00 0.00 C ATOM 365 CE2 PHE A 22 110.208 3.218 7.969 1.00 0.00 C ATOM 366 CZ PHE A 22 110.942 2.709 9.046 1.00 0.00 C ATOM 0 H PHE A 22 103.811 2.893 8.865 1.00 0.00 H new ATOM 0 HA PHE A 22 106.461 2.349 7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.548 4.625 9.192 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.474 3.549 10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.470 2.614 11.385 1.00 0.00 H new ATOM 0 HD2 PHE A 22 108.281 3.905 7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 22 110.882 2.098 11.112 1.00 0.00 H new ATOM 0 HE2 PHE A 22 110.691 3.385 7.018 1.00 0.00 H new ATOM 0 HZ PHE A 22 111.991 2.484 8.926 1.00 0.00 H new ATOM 376 N ASP A 23 104.579 0.684 9.315 1.00 0.00 N ATOM 377 CA ASP A 23 104.292 -0.559 10.090 1.00 0.00 C ATOM 378 C ASP A 23 103.005 -1.205 9.567 1.00 0.00 C ATOM 379 O ASP A 23 102.932 -1.632 8.431 1.00 0.00 O ATOM 380 CB ASP A 23 104.118 -0.212 11.572 1.00 0.00 C ATOM 381 CG ASP A 23 104.038 -1.501 12.390 1.00 0.00 C ATOM 382 OD1 ASP A 23 103.169 -1.586 13.243 1.00 0.00 O ATOM 383 OD2 ASP A 23 104.846 -2.384 12.151 1.00 0.00 O ATOM 0 H ASP A 23 103.865 0.947 8.636 1.00 0.00 H new ATOM 0 HA ASP A 23 105.123 -1.255 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.954 0.398 11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.213 0.379 11.715 1.00 0.00 H new ATOM 388 N LEU A 24 101.993 -1.281 10.387 1.00 0.00 N ATOM 389 CA LEU A 24 100.713 -1.902 9.937 1.00 0.00 C ATOM 390 C LEU A 24 99.564 -1.400 10.817 1.00 0.00 C ATOM 391 O LEU A 24 99.735 -1.152 11.994 1.00 0.00 O ATOM 392 CB LEU A 24 100.820 -3.425 10.053 1.00 0.00 C ATOM 393 CG LEU A 24 99.896 -4.085 9.028 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.616 -4.187 7.682 1.00 0.00 C ATOM 395 CD2 LEU A 24 99.522 -5.486 9.511 1.00 0.00 C ATOM 0 H LEU A 24 101.996 -0.941 11.349 1.00 0.00 H new ATOM 0 HA LEU A 24 100.519 -1.629 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.850 -3.741 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.549 -3.743 11.060 1.00 0.00 H new ATOM 0 HG LEU A 24 98.993 -3.485 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.957 -4.657 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.886 -3.189 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.518 -4.788 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 24 98.863 -5.958 8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 100.426 -6.085 9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.010 -5.415 10.471 1.00 0.00 H new ATOM 407 N VAL A 25 98.394 -1.247 10.255 1.00 0.00 N ATOM 408 CA VAL A 25 97.235 -0.758 11.058 1.00 0.00 C ATOM 409 C VAL A 25 96.000 -1.620 10.758 1.00 0.00 C ATOM 410 O VAL A 25 95.417 -1.523 9.698 1.00 0.00 O ATOM 411 CB VAL A 25 96.933 0.693 10.679 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.083 1.340 11.774 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.244 1.467 10.531 1.00 0.00 C ATOM 0 H VAL A 25 98.191 -1.440 9.274 1.00 0.00 H new ATOM 0 HA VAL A 25 97.478 -0.822 12.119 1.00 0.00 H new ATOM 0 HB VAL A 25 96.389 0.714 9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 25 95.868 2.374 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.148 0.791 11.881 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.627 1.317 12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.028 2.501 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.788 1.445 11.475 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.852 1.008 9.751 1.00 0.00 H new ATOM 423 N PRO A 26 95.596 -2.452 11.686 1.00 0.00 N ATOM 424 CA PRO A 26 94.402 -3.326 11.504 1.00 0.00 C ATOM 425 C PRO A 26 93.177 -2.529 11.038 1.00 0.00 C ATOM 426 O PRO A 26 92.864 -1.487 11.579 1.00 0.00 O ATOM 427 CB PRO A 26 94.158 -3.914 12.897 1.00 0.00 C ATOM 428 CG PRO A 26 95.474 -3.841 13.597 1.00 0.00 C ATOM 429 CD PRO A 26 96.228 -2.653 13.001 1.00 0.00 C ATOM 0 HA PRO A 26 94.567 -4.085 10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.396 -3.349 13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 26 93.805 -4.943 12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 26 95.334 -3.711 14.670 1.00 0.00 H new ATOM 0 HG3 PRO A 26 96.037 -4.764 13.459 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.135 -1.766 13.628 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.293 -2.864 12.904 1.00 0.00 H new ATOM 437 N VAL A 27 92.488 -3.006 10.039 1.00 0.00 N ATOM 438 CA VAL A 27 91.292 -2.267 9.543 1.00 0.00 C ATOM 439 C VAL A 27 90.122 -2.469 10.517 1.00 0.00 C ATOM 440 O VAL A 27 89.707 -3.582 10.769 1.00 0.00 O ATOM 441 CB VAL A 27 90.897 -2.801 8.163 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.880 -4.335 8.186 1.00 0.00 C ATOM 443 CG2 VAL A 27 89.506 -2.277 7.795 1.00 0.00 C ATOM 0 H VAL A 27 92.700 -3.873 9.545 1.00 0.00 H new ATOM 0 HA VAL A 27 91.529 -1.205 9.471 1.00 0.00 H new ATOM 0 HB VAL A 27 91.622 -2.462 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 27 90.598 -4.711 7.202 1.00 0.00 H new ATOM 0 HG12 VAL A 27 91.871 -4.706 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.158 -4.680 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 27 89.223 -2.656 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 27 88.782 -2.614 8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 27 89.522 -1.187 7.773 1.00 0.00 H new ATOM 453 N PRO A 28 89.588 -1.400 11.060 1.00 0.00 N ATOM 454 CA PRO A 28 88.446 -1.475 12.016 1.00 0.00 C ATOM 455 C PRO A 28 87.109 -1.702 11.302 1.00 0.00 C ATOM 456 O PRO A 28 87.007 -1.567 10.098 1.00 0.00 O ATOM 457 CB PRO A 28 88.461 -0.109 12.698 1.00 0.00 C ATOM 458 CG PRO A 28 89.062 0.824 11.698 1.00 0.00 C ATOM 459 CD PRO A 28 90.010 -0.007 10.829 1.00 0.00 C ATOM 0 HA PRO A 28 88.547 -2.311 12.708 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.454 0.205 12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 28 89.049 -0.134 13.616 1.00 0.00 H new ATOM 0 HG2 PRO A 28 88.287 1.289 11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.601 1.630 12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.926 0.265 9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.050 0.146 11.116 1.00 0.00 H new ATOM 467 N THR A 29 86.085 -2.045 12.033 1.00 0.00 N ATOM 468 CA THR A 29 84.759 -2.279 11.395 1.00 0.00 C ATOM 469 C THR A 29 84.156 -0.938 10.974 1.00 0.00 C ATOM 470 O THR A 29 83.127 -0.883 10.330 1.00 0.00 O ATOM 471 CB THR A 29 83.828 -2.971 12.393 1.00 0.00 C ATOM 472 OG1 THR A 29 84.176 -2.578 13.713 1.00 0.00 O ATOM 473 CG2 THR A 29 83.964 -4.488 12.258 1.00 0.00 C ATOM 0 H THR A 29 86.109 -2.173 13.045 1.00 0.00 H new ATOM 0 HA THR A 29 84.882 -2.913 10.517 1.00 0.00 H new ATOM 0 HB THR A 29 82.797 -2.683 12.187 1.00 0.00 H new ATOM 0 HG1 THR A 29 83.580 -3.019 14.354 1.00 0.00 H new ATOM 0 HG21 THR A 29 83.300 -4.978 12.970 1.00 0.00 H new ATOM 0 HG22 THR A 29 83.695 -4.789 11.245 1.00 0.00 H new ATOM 0 HG23 THR A 29 84.994 -4.781 12.462 1.00 0.00 H new ATOM 481 N ASN A 30 84.789 0.145 11.332 1.00 0.00 N ATOM 482 CA ASN A 30 84.251 1.481 10.950 1.00 0.00 C ATOM 483 C ASN A 30 84.777 1.862 9.565 1.00 0.00 C ATOM 484 O ASN A 30 84.383 2.860 8.994 1.00 0.00 O ATOM 485 CB ASN A 30 84.706 2.525 11.972 1.00 0.00 C ATOM 486 CG ASN A 30 83.788 3.747 11.900 1.00 0.00 C ATOM 487 OD1 ASN A 30 82.674 3.656 11.427 1.00 0.00 O ATOM 488 ND2 ASN A 30 84.214 4.894 12.352 1.00 0.00 N ATOM 0 H ASN A 30 85.654 0.163 11.872 1.00 0.00 H new ATOM 0 HA ASN A 30 83.162 1.443 10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 30 84.685 2.100 12.975 1.00 0.00 H new ATOM 0 HB3 ASN A 30 85.736 2.819 11.772 1.00 0.00 H new ATOM 0 HD21 ASN A 30 83.611 5.715 12.308 1.00 0.00 H new ATOM 0 HD22 ASN A 30 85.150 4.970 12.749 1.00 0.00 H new ATOM 495 N LEU A 31 85.666 1.075 9.021 1.00 0.00 N ATOM 496 CA LEU A 31 86.220 1.391 7.674 1.00 0.00 C ATOM 497 C LEU A 31 86.200 0.134 6.797 1.00 0.00 C ATOM 498 O LEU A 31 86.412 0.200 5.603 1.00 0.00 O ATOM 499 CB LEU A 31 87.660 1.886 7.821 1.00 0.00 C ATOM 500 CG LEU A 31 87.688 3.116 8.731 1.00 0.00 C ATOM 501 CD1 LEU A 31 89.137 3.455 9.085 1.00 0.00 C ATOM 502 CD2 LEU A 31 87.050 4.303 8.005 1.00 0.00 C ATOM 0 H LEU A 31 86.032 0.226 9.452 1.00 0.00 H new ATOM 0 HA LEU A 31 85.612 2.165 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 88.286 1.097 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 31 88.072 2.135 6.843 1.00 0.00 H new ATOM 0 HG LEU A 31 87.130 2.905 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 31 89.158 4.331 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 89.592 2.610 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 31 89.695 3.666 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 31 87.070 5.179 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.608 4.514 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 31 86.018 4.062 7.752 1.00 0.00 H new ATOM 514 N TYR A 32 85.949 -1.008 7.376 1.00 0.00 N ATOM 515 CA TYR A 32 85.920 -2.261 6.568 1.00 0.00 C ATOM 516 C TYR A 32 85.165 -2.008 5.260 1.00 0.00 C ATOM 517 O TYR A 32 83.998 -1.668 5.263 1.00 0.00 O ATOM 518 CB TYR A 32 85.212 -3.363 7.359 1.00 0.00 C ATOM 519 CG TYR A 32 85.537 -4.706 6.751 1.00 0.00 C ATOM 520 CD1 TYR A 32 86.405 -5.582 7.412 1.00 0.00 C ATOM 521 CD2 TYR A 32 84.969 -5.075 5.527 1.00 0.00 C ATOM 522 CE1 TYR A 32 86.706 -6.828 6.848 1.00 0.00 C ATOM 523 CE2 TYR A 32 85.269 -6.321 4.961 1.00 0.00 C ATOM 524 CZ TYR A 32 86.137 -7.198 5.623 1.00 0.00 C ATOM 525 OH TYR A 32 86.433 -8.426 5.067 1.00 0.00 O ATOM 0 H TYR A 32 85.763 -1.128 8.372 1.00 0.00 H new ATOM 0 HA TYR A 32 86.941 -2.572 6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.528 -3.338 8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.135 -3.198 7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.843 -5.297 8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 32 84.298 -4.399 5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 32 87.377 -7.504 7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 32 84.831 -6.605 4.015 1.00 0.00 H new ATOM 0 HH TYR A 32 86.372 -8.366 4.091 1.00 0.00 H new ATOM 535 N GLY A 33 85.821 -2.172 4.144 1.00 0.00 N ATOM 536 CA GLY A 33 85.139 -1.943 2.837 1.00 0.00 C ATOM 537 C GLY A 33 85.563 -0.588 2.267 1.00 0.00 C ATOM 538 O GLY A 33 85.308 -0.280 1.120 1.00 0.00 O ATOM 0 H GLY A 33 86.799 -2.454 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.395 -2.739 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.057 -1.971 2.970 1.00 0.00 H new ATOM 542 N ASP A 34 86.210 0.225 3.059 1.00 0.00 N ATOM 543 CA ASP A 34 86.650 1.561 2.563 1.00 0.00 C ATOM 544 C ASP A 34 88.174 1.583 2.439 1.00 0.00 C ATOM 545 O ASP A 34 88.876 0.906 3.164 1.00 0.00 O ATOM 546 CB ASP A 34 86.203 2.642 3.550 1.00 0.00 C ATOM 547 CG ASP A 34 84.686 2.571 3.737 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.112 3.565 4.145 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.126 1.522 3.465 1.00 0.00 O ATOM 0 H ASP A 34 86.453 0.021 4.029 1.00 0.00 H new ATOM 0 HA ASP A 34 86.204 1.752 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.704 2.504 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.488 3.627 3.180 1.00 0.00 H new ATOM 554 N PHE A 35 88.692 2.359 1.526 1.00 0.00 N ATOM 555 CA PHE A 35 90.171 2.426 1.355 1.00 0.00 C ATOM 556 C PHE A 35 90.550 3.768 0.728 1.00 0.00 C ATOM 557 O PHE A 35 89.808 4.332 -0.052 1.00 0.00 O ATOM 558 CB PHE A 35 90.632 1.286 0.444 1.00 0.00 C ATOM 559 CG PHE A 35 89.882 0.026 0.797 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.643 -0.242 0.201 1.00 0.00 C ATOM 561 CD2 PHE A 35 90.424 -0.879 1.718 1.00 0.00 C ATOM 562 CE1 PHE A 35 87.947 -1.411 0.528 1.00 0.00 C ATOM 563 CE2 PHE A 35 89.728 -2.048 2.046 1.00 0.00 C ATOM 564 CZ PHE A 35 88.489 -2.315 1.450 1.00 0.00 C ATOM 0 H PHE A 35 88.155 2.949 0.891 1.00 0.00 H new ATOM 0 HA PHE A 35 90.655 2.330 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 35 90.456 1.546 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.704 1.127 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.225 0.454 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 35 91.381 -0.675 2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 35 86.991 -1.616 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.146 -2.744 2.758 1.00 0.00 H new ATOM 0 HZ PHE A 35 87.952 -3.218 1.701 1.00 0.00 H new ATOM 574 N PHE A 36 91.702 4.285 1.060 1.00 0.00 N ATOM 575 CA PHE A 36 92.127 5.592 0.482 1.00 0.00 C ATOM 576 C PHE A 36 93.149 5.351 -0.632 1.00 0.00 C ATOM 577 O PHE A 36 94.057 4.556 -0.492 1.00 0.00 O ATOM 578 CB PHE A 36 92.764 6.450 1.577 1.00 0.00 C ATOM 579 CG PHE A 36 92.008 6.258 2.870 1.00 0.00 C ATOM 580 CD1 PHE A 36 92.277 5.150 3.681 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.038 7.190 3.258 1.00 0.00 C ATOM 582 CE1 PHE A 36 91.577 4.973 4.881 1.00 0.00 C ATOM 583 CE2 PHE A 36 90.337 7.014 4.457 1.00 0.00 C ATOM 584 CZ PHE A 36 90.607 5.905 5.268 1.00 0.00 C ATOM 0 H PHE A 36 92.367 3.859 1.706 1.00 0.00 H new ATOM 0 HA PHE A 36 91.258 6.107 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.810 6.172 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 36 92.748 7.500 1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 36 93.025 4.431 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 36 90.830 8.045 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 36 91.785 4.118 5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 36 89.589 7.733 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 36 90.066 5.769 6.193 1.00 0.00 H new ATOM 594 N THR A 37 93.008 6.033 -1.735 1.00 0.00 N ATOM 595 CA THR A 37 93.971 5.845 -2.855 1.00 0.00 C ATOM 596 C THR A 37 95.347 6.367 -2.432 1.00 0.00 C ATOM 597 O THR A 37 96.334 6.166 -3.110 1.00 0.00 O ATOM 598 CB THR A 37 93.485 6.620 -4.081 1.00 0.00 C ATOM 599 OG1 THR A 37 93.540 8.014 -3.810 1.00 0.00 O ATOM 600 CG2 THR A 37 92.045 6.218 -4.402 1.00 0.00 C ATOM 0 H THR A 37 92.267 6.712 -1.909 1.00 0.00 H new ATOM 0 HA THR A 37 94.043 4.786 -3.102 1.00 0.00 H new ATOM 0 HB THR A 37 94.123 6.390 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 37 94.218 8.187 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.699 6.771 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.003 5.149 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.405 6.448 -3.550 1.00 0.00 H new ATOM 608 N GLY A 38 95.418 7.035 -1.314 1.00 0.00 N ATOM 609 CA GLY A 38 96.728 7.569 -0.844 1.00 0.00 C ATOM 610 C GLY A 38 97.344 6.597 0.161 1.00 0.00 C ATOM 611 O GLY A 38 98.063 6.989 1.058 1.00 0.00 O ATOM 0 H GLY A 38 94.625 7.235 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.401 7.708 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.590 8.547 -0.382 1.00 0.00 H new ATOM 615 N ASP A 39 97.069 5.329 0.019 1.00 0.00 N ATOM 616 CA ASP A 39 97.640 4.331 0.967 1.00 0.00 C ATOM 617 C ASP A 39 97.567 2.937 0.342 1.00 0.00 C ATOM 618 O ASP A 39 96.796 2.691 -0.564 1.00 0.00 O ATOM 619 CB ASP A 39 96.839 4.351 2.271 1.00 0.00 C ATOM 620 CG ASP A 39 97.273 3.180 3.154 1.00 0.00 C ATOM 621 OD1 ASP A 39 96.934 2.056 2.823 1.00 0.00 O ATOM 622 OD2 ASP A 39 97.938 3.426 4.146 1.00 0.00 O ATOM 0 H ASP A 39 96.473 4.941 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 39 98.680 4.580 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.999 5.294 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 39 95.773 4.283 2.056 1.00 0.00 H new ATOM 627 N ALA A 40 98.366 2.021 0.820 1.00 0.00 N ATOM 628 CA ALA A 40 98.345 0.642 0.253 1.00 0.00 C ATOM 629 C ALA A 40 97.684 -0.310 1.255 1.00 0.00 C ATOM 630 O ALA A 40 97.742 -0.105 2.452 1.00 0.00 O ATOM 631 CB ALA A 40 99.782 0.186 -0.024 1.00 0.00 C ATOM 0 H ALA A 40 99.032 2.168 1.578 1.00 0.00 H new ATOM 0 HA ALA A 40 97.778 0.636 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.770 -0.822 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.249 0.866 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.350 0.189 0.906 1.00 0.00 H new ATOM 637 N TYR A 41 97.057 -1.350 0.774 1.00 0.00 N ATOM 638 CA TYR A 41 96.391 -2.315 1.697 1.00 0.00 C ATOM 639 C TYR A 41 96.821 -3.741 1.343 1.00 0.00 C ATOM 640 O TYR A 41 96.916 -4.101 0.185 1.00 0.00 O ATOM 641 CB TYR A 41 94.871 -2.198 1.553 1.00 0.00 C ATOM 642 CG TYR A 41 94.378 -0.985 2.305 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.683 0.300 1.841 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.611 -1.147 3.464 1.00 0.00 C ATOM 645 CE1 TYR A 41 94.222 1.423 2.537 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.148 -0.024 4.160 1.00 0.00 C ATOM 647 CZ TYR A 41 93.453 1.261 3.697 1.00 0.00 C ATOM 648 OH TYR A 41 92.996 2.368 4.384 1.00 0.00 O ATOM 0 H TYR A 41 96.977 -1.573 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 41 96.680 -2.088 2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.601 -2.119 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.390 -3.097 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.274 0.425 0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 41 93.376 -2.139 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.459 2.414 2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.555 -0.149 5.054 1.00 0.00 H new ATOM 0 HH TYR A 41 92.393 2.884 3.809 1.00 0.00 H new ATOM 658 N VAL A 42 97.077 -4.558 2.330 1.00 0.00 N ATOM 659 CA VAL A 42 97.493 -5.959 2.056 1.00 0.00 C ATOM 660 C VAL A 42 96.386 -6.898 2.533 1.00 0.00 C ATOM 661 O VAL A 42 95.945 -6.817 3.665 1.00 0.00 O ATOM 662 CB VAL A 42 98.769 -6.258 2.831 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.730 -7.061 1.952 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.440 -4.947 3.247 1.00 0.00 C ATOM 0 H VAL A 42 97.015 -4.311 3.318 1.00 0.00 H new ATOM 0 HA VAL A 42 97.669 -6.098 0.989 1.00 0.00 H new ATOM 0 HB VAL A 42 98.519 -6.837 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.642 -7.273 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.258 -7.998 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.976 -6.484 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.353 -5.165 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.686 -4.366 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.760 -4.375 3.878 1.00 0.00 H new ATOM 674 N ILE A 43 95.913 -7.770 1.684 1.00 0.00 N ATOM 675 CA ILE A 43 94.815 -8.683 2.111 1.00 0.00 C ATOM 676 C ILE A 43 95.228 -10.143 1.911 1.00 0.00 C ATOM 677 O ILE A 43 95.813 -10.506 0.911 1.00 0.00 O ATOM 678 CB ILE A 43 93.553 -8.385 1.296 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.755 -7.112 0.466 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.381 -8.178 2.250 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.086 -5.933 1.386 1.00 0.00 C ATOM 0 H ILE A 43 96.235 -7.889 0.724 1.00 0.00 H new ATOM 0 HA ILE A 43 94.612 -8.519 3.169 1.00 0.00 H new ATOM 0 HB ILE A 43 93.350 -9.222 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.561 -7.261 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.854 -6.895 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.479 -7.965 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.230 -9.080 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.595 -7.340 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.228 -5.033 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 43 93.266 -5.777 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 43 95.000 -6.149 1.939 1.00 0.00 H new ATOM 693 N LEU A 44 94.918 -10.983 2.866 1.00 0.00 N ATOM 694 CA LEU A 44 95.277 -12.424 2.748 1.00 0.00 C ATOM 695 C LEU A 44 94.006 -13.272 2.823 1.00 0.00 C ATOM 696 O LEU A 44 93.061 -12.930 3.506 1.00 0.00 O ATOM 697 CB LEU A 44 96.219 -12.817 3.890 1.00 0.00 C ATOM 698 CG LEU A 44 96.522 -14.320 3.816 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.002 -14.564 4.125 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.666 -15.070 4.841 1.00 0.00 C ATOM 0 H LEU A 44 94.430 -10.729 3.725 1.00 0.00 H new ATOM 0 HA LEU A 44 95.776 -12.595 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.145 -12.246 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.763 -12.575 4.850 1.00 0.00 H new ATOM 0 HG LEU A 44 96.293 -14.680 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.214 -15.632 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.618 -14.035 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.230 -14.199 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 44 95.884 -16.137 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.894 -14.705 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.611 -14.903 4.625 1.00 0.00 H new ATOM 712 N LYS A 45 93.978 -14.376 2.126 1.00 0.00 N ATOM 713 CA LYS A 45 92.770 -15.249 2.155 1.00 0.00 C ATOM 714 C LYS A 45 93.175 -16.656 2.596 1.00 0.00 C ATOM 715 O LYS A 45 94.199 -17.169 2.198 1.00 0.00 O ATOM 716 CB LYS A 45 92.150 -15.309 0.757 1.00 0.00 C ATOM 717 CG LYS A 45 90.638 -15.514 0.878 1.00 0.00 C ATOM 718 CD LYS A 45 90.018 -15.627 -0.517 1.00 0.00 C ATOM 719 CE LYS A 45 90.368 -14.384 -1.338 1.00 0.00 C ATOM 720 NZ LYS A 45 91.669 -14.596 -2.032 1.00 0.00 N ATOM 0 H LYS A 45 94.741 -14.711 1.537 1.00 0.00 H new ATOM 0 HA LYS A 45 92.041 -14.842 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 45 92.361 -14.387 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.594 -16.124 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.429 -16.416 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.191 -14.680 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.387 -16.522 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 45 88.936 -15.730 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 45 89.583 -14.184 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 45 90.429 -13.511 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 91.582 -14.311 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 92.405 -14.024 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 91.930 -15.602 -1.981 1.00 0.00 H new ATOM 734 N THR A 46 92.378 -17.281 3.419 1.00 0.00 N ATOM 735 CA THR A 46 92.721 -18.654 3.887 1.00 0.00 C ATOM 736 C THR A 46 91.468 -19.532 3.843 1.00 0.00 C ATOM 737 O THR A 46 90.493 -19.269 4.519 1.00 0.00 O ATOM 738 CB THR A 46 93.246 -18.584 5.324 1.00 0.00 C ATOM 739 OG1 THR A 46 94.252 -17.585 5.409 1.00 0.00 O ATOM 740 CG2 THR A 46 93.834 -19.938 5.726 1.00 0.00 C ATOM 0 H THR A 46 91.506 -16.901 3.787 1.00 0.00 H new ATOM 0 HA THR A 46 93.488 -19.081 3.240 1.00 0.00 H new ATOM 0 HB THR A 46 92.426 -18.335 5.997 1.00 0.00 H new ATOM 0 HG1 THR A 46 95.128 -18.011 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.206 -19.884 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.061 -20.704 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.654 -20.192 5.054 1.00 0.00 H new ATOM 748 N VAL A 47 91.485 -20.572 3.050 1.00 0.00 N ATOM 749 CA VAL A 47 90.298 -21.461 2.962 1.00 0.00 C ATOM 750 C VAL A 47 90.734 -22.899 3.222 1.00 0.00 C ATOM 751 O VAL A 47 91.903 -23.208 3.222 1.00 0.00 O ATOM 752 CB VAL A 47 89.704 -21.376 1.562 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.181 -21.517 1.636 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.063 -20.029 0.932 1.00 0.00 C ATOM 0 H VAL A 47 92.273 -20.841 2.460 1.00 0.00 H new ATOM 0 HA VAL A 47 89.556 -21.153 3.698 1.00 0.00 H new ATOM 0 HB VAL A 47 90.111 -22.182 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.761 -21.456 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.926 -22.480 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.771 -20.716 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.637 -19.971 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.661 -19.222 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.147 -19.933 0.871 1.00 0.00 H new ATOM 764 N GLN A 48 89.800 -23.778 3.424 1.00 0.00 N ATOM 765 CA GLN A 48 90.151 -25.203 3.675 1.00 0.00 C ATOM 766 C GLN A 48 90.007 -25.999 2.377 1.00 0.00 C ATOM 767 O GLN A 48 88.970 -25.991 1.742 1.00 0.00 O ATOM 768 CB GLN A 48 89.212 -25.783 4.735 1.00 0.00 C ATOM 769 CG GLN A 48 89.644 -27.212 5.072 1.00 0.00 C ATOM 770 CD GLN A 48 89.113 -27.594 6.455 1.00 0.00 C ATOM 771 OE1 GLN A 48 87.964 -27.348 6.766 1.00 0.00 O ATOM 772 NE2 GLN A 48 89.907 -28.188 7.303 1.00 0.00 N ATOM 0 H GLN A 48 88.801 -23.572 3.427 1.00 0.00 H new ATOM 0 HA GLN A 48 91.180 -25.266 4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.233 -25.164 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.186 -25.779 4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.264 -27.905 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.731 -27.288 5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 48 90.871 -28.394 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 48 89.564 -28.446 8.228 1.00 0.00 H new ATOM 781 N LEU A 49 91.041 -26.685 1.976 1.00 0.00 N ATOM 782 CA LEU A 49 90.966 -27.480 0.719 1.00 0.00 C ATOM 783 C LEU A 49 90.425 -28.877 1.025 1.00 0.00 C ATOM 784 O LEU A 49 90.552 -29.375 2.126 1.00 0.00 O ATOM 785 CB LEU A 49 92.364 -27.602 0.109 1.00 0.00 C ATOM 786 CG LEU A 49 92.720 -26.303 -0.617 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.239 -26.119 -0.622 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.210 -26.366 -2.059 1.00 0.00 C ATOM 0 H LEU A 49 91.935 -26.729 2.465 1.00 0.00 H new ATOM 0 HA LEU A 49 90.301 -26.979 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 49 93.096 -27.807 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.397 -28.440 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 49 92.254 -25.462 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.492 -25.193 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.603 -26.072 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.706 -26.960 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.464 -25.440 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.675 -27.208 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.128 -26.495 -2.057 1.00 0.00 H new ATOM 800 N ARG A 50 89.822 -29.515 0.059 1.00 0.00 N ATOM 801 CA ARG A 50 89.278 -30.883 0.295 1.00 0.00 C ATOM 802 C ARG A 50 90.345 -31.739 0.979 1.00 0.00 C ATOM 803 O ARG A 50 90.066 -32.469 1.910 1.00 0.00 O ATOM 804 CB ARG A 50 88.893 -31.518 -1.043 1.00 0.00 C ATOM 805 CG ARG A 50 87.573 -30.918 -1.533 1.00 0.00 C ATOM 806 CD ARG A 50 87.202 -31.534 -2.884 1.00 0.00 C ATOM 807 NE ARG A 50 87.551 -32.982 -2.885 1.00 0.00 N ATOM 808 CZ ARG A 50 88.711 -33.378 -3.337 1.00 0.00 C ATOM 809 NH1 ARG A 50 89.010 -34.648 -3.340 1.00 0.00 N ATOM 810 NH2 ARG A 50 89.573 -32.504 -3.784 1.00 0.00 N ATOM 0 H ARG A 50 89.683 -29.149 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 50 88.396 -30.821 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.678 -31.345 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 50 88.794 -32.598 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 50 86.783 -31.107 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 50 87.666 -29.836 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 50 86.136 -31.406 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 50 87.732 -31.021 -3.687 1.00 0.00 H new ATOM 0 HE ARG A 50 86.882 -33.666 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 50 88.338 -35.331 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 50 89.915 -34.958 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 50 89.341 -31.511 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 50 90.478 -32.815 -4.137 1.00 0.00 H new ATOM 824 N ASN A 51 91.566 -31.653 0.527 1.00 0.00 N ATOM 825 CA ASN A 51 92.652 -32.459 1.152 1.00 0.00 C ATOM 826 C ASN A 51 92.918 -31.939 2.565 1.00 0.00 C ATOM 827 O ASN A 51 93.262 -32.687 3.459 1.00 0.00 O ATOM 828 CB ASN A 51 93.926 -32.335 0.312 1.00 0.00 C ATOM 829 CG ASN A 51 94.055 -30.904 -0.213 1.00 0.00 C ATOM 830 OD1 ASN A 51 93.394 -30.531 -1.161 1.00 0.00 O ATOM 831 ND2 ASN A 51 94.885 -30.081 0.370 1.00 0.00 N ATOM 0 H ASN A 51 91.858 -31.059 -0.249 1.00 0.00 H new ATOM 0 HA ASN A 51 92.351 -33.505 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.797 -32.593 0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.895 -33.038 -0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 51 94.978 -29.124 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 51 95.440 -30.395 1.166 1.00 0.00 H new ATOM 838 N GLY A 52 92.758 -30.662 2.774 1.00 0.00 N ATOM 839 CA GLY A 52 92.997 -30.092 4.130 1.00 0.00 C ATOM 840 C GLY A 52 94.400 -29.484 4.193 1.00 0.00 C ATOM 841 O GLY A 52 95.301 -30.040 4.791 1.00 0.00 O ATOM 0 H GLY A 52 92.472 -29.988 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 52 92.250 -29.330 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 52 92.893 -30.870 4.886 1.00 0.00 H new ATOM 845 N ASN A 53 94.593 -28.344 3.587 1.00 0.00 N ATOM 846 CA ASN A 53 95.936 -27.703 3.623 1.00 0.00 C ATOM 847 C ASN A 53 95.771 -26.190 3.710 1.00 0.00 C ATOM 848 O ASN A 53 96.699 -25.432 3.510 1.00 0.00 O ATOM 849 CB ASN A 53 96.716 -28.068 2.358 1.00 0.00 C ATOM 850 CG ASN A 53 98.216 -28.064 2.661 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.934 -27.190 2.217 1.00 0.00 O ATOM 852 ND2 ASN A 53 98.723 -29.010 3.403 1.00 0.00 N ATOM 0 H ASN A 53 93.879 -27.831 3.070 1.00 0.00 H new ATOM 0 HA ASN A 53 96.486 -28.058 4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.410 -29.051 2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.493 -27.356 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.722 -29.016 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 53 98.121 -29.744 3.776 1.00 0.00 H new ATOM 859 N LEU A 54 94.589 -25.758 4.012 1.00 0.00 N ATOM 860 CA LEU A 54 94.315 -24.307 4.129 1.00 0.00 C ATOM 861 C LEU A 54 94.962 -23.570 2.958 1.00 0.00 C ATOM 862 O LEU A 54 96.141 -23.277 2.965 1.00 0.00 O ATOM 863 CB LEU A 54 94.872 -23.786 5.451 1.00 0.00 C ATOM 864 CG LEU A 54 93.941 -24.195 6.598 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.497 -23.666 7.919 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.539 -23.613 6.368 1.00 0.00 C ATOM 0 H LEU A 54 93.784 -26.360 4.186 1.00 0.00 H new ATOM 0 HA LEU A 54 93.239 -24.135 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.871 -24.187 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 54 94.966 -22.701 5.415 1.00 0.00 H new ATOM 0 HG LEU A 54 93.877 -25.283 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.835 -23.957 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.489 -24.084 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.564 -22.579 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.884 -23.908 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.599 -22.525 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.138 -23.992 5.428 1.00 0.00 H new ATOM 878 N GLN A 55 94.192 -23.273 1.951 1.00 0.00 N ATOM 879 CA GLN A 55 94.751 -22.559 0.766 1.00 0.00 C ATOM 880 C GLN A 55 95.000 -21.091 1.119 1.00 0.00 C ATOM 881 O GLN A 55 94.097 -20.373 1.497 1.00 0.00 O ATOM 882 CB GLN A 55 93.759 -22.639 -0.395 1.00 0.00 C ATOM 883 CG GLN A 55 94.374 -21.996 -1.639 1.00 0.00 C ATOM 884 CD GLN A 55 93.417 -22.154 -2.822 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.153 -22.393 -2.596 1.00 0.00 O flip ATOM 886 NE2 GLN A 55 93.822 -22.056 -3.964 1.00 0.00 N flip ATOM 0 H GLN A 55 93.198 -23.493 1.895 1.00 0.00 H new ATOM 0 HA GLN A 55 95.692 -23.027 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.505 -23.679 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.832 -22.130 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.571 -20.940 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.332 -22.464 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 55 94.809 -21.869 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 55 93.175 -22.160 -4.745 1.00 0.00 H new ATOM 895 N TYR A 56 96.219 -20.639 0.997 1.00 0.00 N ATOM 896 CA TYR A 56 96.521 -19.219 1.325 1.00 0.00 C ATOM 897 C TYR A 56 96.584 -18.393 0.038 1.00 0.00 C ATOM 898 O TYR A 56 97.454 -18.579 -0.791 1.00 0.00 O ATOM 899 CB TYR A 56 97.871 -19.139 2.043 1.00 0.00 C ATOM 900 CG TYR A 56 97.740 -19.718 3.431 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.801 -21.103 3.619 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.558 -18.869 4.529 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.680 -21.640 4.906 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.438 -19.405 5.817 1.00 0.00 C ATOM 905 CZ TYR A 56 97.499 -20.791 6.006 1.00 0.00 C ATOM 906 OH TYR A 56 97.379 -21.320 7.274 1.00 0.00 O ATOM 0 H TYR A 56 97.017 -21.192 0.685 1.00 0.00 H new ATOM 0 HA TYR A 56 95.736 -18.824 1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.627 -19.686 1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.203 -18.102 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.941 -21.758 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.510 -17.800 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.726 -22.709 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.298 -18.750 6.664 1.00 0.00 H new ATOM 0 HH TYR A 56 97.260 -20.594 7.921 1.00 0.00 H new ATOM 916 N ASP A 57 95.672 -17.474 -0.127 1.00 0.00 N ATOM 917 CA ASP A 57 95.675 -16.618 -1.349 1.00 0.00 C ATOM 918 C ASP A 57 95.632 -15.154 -0.913 1.00 0.00 C ATOM 919 O ASP A 57 94.740 -14.741 -0.198 1.00 0.00 O ATOM 920 CB ASP A 57 94.445 -16.935 -2.203 1.00 0.00 C ATOM 921 CG ASP A 57 94.160 -18.438 -2.148 1.00 0.00 C ATOM 922 OD1 ASP A 57 93.573 -18.873 -1.171 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.531 -19.126 -3.084 1.00 0.00 O ATOM 0 H ASP A 57 94.921 -17.278 0.535 1.00 0.00 H new ATOM 0 HA ASP A 57 96.573 -16.809 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.582 -16.377 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.614 -16.623 -3.234 1.00 0.00 H new ATOM 928 N LEU A 58 96.594 -14.367 -1.315 1.00 0.00 N ATOM 929 CA LEU A 58 96.600 -12.937 -0.892 1.00 0.00 C ATOM 930 C LEU A 58 96.696 -12.015 -2.106 1.00 0.00 C ATOM 931 O LEU A 58 97.272 -12.350 -3.121 1.00 0.00 O ATOM 932 CB LEU A 58 97.802 -12.687 0.025 1.00 0.00 C ATOM 933 CG LEU A 58 99.094 -13.103 -0.688 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.205 -12.099 -0.373 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.518 -14.495 -0.208 1.00 0.00 C ATOM 0 H LEU A 58 97.370 -14.650 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 58 95.671 -12.725 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 58 97.850 -11.633 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 58 97.689 -13.251 0.951 1.00 0.00 H new ATOM 0 HG LEU A 58 98.919 -13.124 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.121 -12.399 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.907 -11.108 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 58 100.379 -12.074 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.437 -14.791 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.689 -14.472 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.731 -15.214 -0.435 1.00 0.00 H new ATOM 947 N HIS A 59 96.138 -10.842 -1.994 1.00 0.00 N ATOM 948 CA HIS A 59 96.192 -9.870 -3.117 1.00 0.00 C ATOM 949 C HIS A 59 96.688 -8.526 -2.573 1.00 0.00 C ATOM 950 O HIS A 59 96.349 -8.128 -1.473 1.00 0.00 O ATOM 951 CB HIS A 59 94.795 -9.720 -3.734 1.00 0.00 C ATOM 952 CG HIS A 59 94.260 -8.338 -3.482 1.00 0.00 C ATOM 953 ND1 HIS A 59 94.577 -7.262 -4.299 1.00 0.00 N ATOM 954 CD2 HIS A 59 93.427 -7.840 -2.511 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.945 -6.182 -3.811 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.232 -6.480 -2.722 1.00 0.00 N ATOM 0 H HIS A 59 95.643 -10.514 -1.165 1.00 0.00 H new ATOM 0 HA HIS A 59 96.873 -10.221 -3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.841 -9.910 -4.806 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.120 -10.462 -3.308 1.00 0.00 H new ATOM 0 HD2 HIS A 59 92.991 -8.416 -1.708 1.00 0.00 H new ATOM 0 HE1 HIS A 59 94.006 -5.195 -4.245 1.00 0.00 H new ATOM 0 HE2 HIS A 59 92.664 -5.844 -2.163 1.00 0.00 H new ATOM 964 N TYR A 60 97.496 -7.831 -3.325 1.00 0.00 N ATOM 965 CA TYR A 60 98.019 -6.521 -2.840 1.00 0.00 C ATOM 966 C TYR A 60 97.268 -5.381 -3.533 1.00 0.00 C ATOM 967 O TYR A 60 97.188 -5.323 -4.743 1.00 0.00 O ATOM 968 CB TYR A 60 99.516 -6.431 -3.154 1.00 0.00 C ATOM 969 CG TYR A 60 100.019 -5.022 -2.933 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.416 -4.189 -1.978 1.00 0.00 C ATOM 971 CD2 TYR A 60 101.100 -4.549 -3.686 1.00 0.00 C ATOM 972 CE1 TYR A 60 99.895 -2.888 -1.783 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.578 -3.249 -3.489 1.00 0.00 C ATOM 974 CZ TYR A 60 100.975 -2.419 -2.539 1.00 0.00 C ATOM 975 OH TYR A 60 101.445 -1.135 -2.347 1.00 0.00 O ATOM 0 H TYR A 60 97.816 -8.112 -4.252 1.00 0.00 H new ATOM 0 HA TYR A 60 97.870 -6.439 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 60 100.069 -7.125 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.696 -6.730 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 60 98.583 -4.551 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.566 -5.189 -4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 60 99.431 -2.246 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.413 -2.887 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 60 101.092 -0.549 -3.049 1.00 0.00 H new ATOM 985 N TRP A 61 96.710 -4.473 -2.775 1.00 0.00 N ATOM 986 CA TRP A 61 95.958 -3.341 -3.391 1.00 0.00 C ATOM 987 C TRP A 61 96.831 -2.084 -3.404 1.00 0.00 C ATOM 988 O TRP A 61 97.368 -1.680 -2.391 1.00 0.00 O ATOM 989 CB TRP A 61 94.692 -3.068 -2.576 1.00 0.00 C ATOM 990 CG TRP A 61 93.779 -2.171 -3.353 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.727 -2.585 -4.094 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.820 -0.720 -3.475 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.120 -1.482 -4.665 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.757 -0.309 -4.313 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.667 0.271 -2.947 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.541 1.036 -4.616 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.454 1.626 -3.250 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.392 2.008 -4.082 1.00 0.00 C ATOM 0 H TRP A 61 96.743 -4.467 -1.756 1.00 0.00 H new ATOM 0 HA TRP A 61 95.688 -3.604 -4.414 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.187 -4.006 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.952 -2.603 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.412 -3.610 -4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.302 -1.529 -5.272 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.487 -0.012 -2.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.722 1.324 -5.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 95.112 2.378 -2.840 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.232 3.051 -4.310 1.00 0.00 H new ATOM 1009 N LEU A 62 96.970 -1.462 -4.545 1.00 0.00 N ATOM 1010 CA LEU A 62 97.804 -0.226 -4.629 1.00 0.00 C ATOM 1011 C LEU A 62 96.903 0.977 -4.924 1.00 0.00 C ATOM 1012 O LEU A 62 95.818 0.837 -5.451 1.00 0.00 O ATOM 1013 CB LEU A 62 98.833 -0.377 -5.753 1.00 0.00 C ATOM 1014 CG LEU A 62 99.627 -1.673 -5.554 1.00 0.00 C ATOM 1015 CD1 LEU A 62 99.094 -2.759 -6.491 1.00 0.00 C ATOM 1016 CD2 LEU A 62 101.106 -1.420 -5.862 1.00 0.00 C ATOM 0 H LEU A 62 96.542 -1.756 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 62 98.321 -0.073 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.330 -0.392 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.509 0.478 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 62 99.518 -2.003 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 62 99.663 -3.677 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 62 98.042 -2.945 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 62 99.197 -2.430 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 62 101.670 -2.342 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.211 -1.086 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 62 101.491 -0.652 -5.191 1.00 0.00 H new ATOM 1028 N GLY A 63 97.346 2.158 -4.587 1.00 0.00 N ATOM 1029 CA GLY A 63 96.517 3.370 -4.847 1.00 0.00 C ATOM 1030 C GLY A 63 97.085 4.136 -6.044 1.00 0.00 C ATOM 1031 O GLY A 63 98.222 3.950 -6.430 1.00 0.00 O ATOM 0 H GLY A 63 98.247 2.336 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.485 3.081 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.505 4.011 -3.965 1.00 0.00 H new ATOM 1035 N ASN A 64 96.300 4.996 -6.634 1.00 0.00 N ATOM 1036 CA ASN A 64 96.789 5.773 -7.808 1.00 0.00 C ATOM 1037 C ASN A 64 97.608 6.970 -7.322 1.00 0.00 C ATOM 1038 O ASN A 64 98.291 7.618 -8.088 1.00 0.00 O ATOM 1039 CB ASN A 64 95.597 6.268 -8.628 1.00 0.00 C ATOM 1040 CG ASN A 64 94.481 5.222 -8.589 1.00 0.00 C ATOM 1041 OD1 ASN A 64 94.704 4.092 -8.202 1.00 0.00 O ATOM 1042 ND2 ASN A 64 93.279 5.552 -8.978 1.00 0.00 N ATOM 0 H ASN A 64 95.340 5.194 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 64 97.415 5.133 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.236 7.216 -8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.902 6.452 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 64 92.529 4.862 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 64 93.091 6.500 -9.303 1.00 0.00 H new ATOM 1049 N GLU A 65 97.550 7.263 -6.052 1.00 0.00 N ATOM 1050 CA GLU A 65 98.329 8.408 -5.512 1.00 0.00 C ATOM 1051 C GLU A 65 99.502 7.853 -4.716 1.00 0.00 C ATOM 1052 O GLU A 65 99.977 8.455 -3.773 1.00 0.00 O ATOM 1053 CB GLU A 65 97.435 9.256 -4.601 1.00 0.00 C ATOM 1054 CG GLU A 65 95.973 9.051 -4.994 1.00 0.00 C ATOM 1055 CD GLU A 65 95.104 10.094 -4.290 1.00 0.00 C ATOM 1056 OE1 GLU A 65 94.829 9.913 -3.116 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.728 11.059 -4.936 1.00 0.00 O ATOM 0 H GLU A 65 96.994 6.755 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 65 98.693 9.035 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.586 8.974 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.703 10.309 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 65 95.860 9.138 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.649 8.047 -4.719 1.00 0.00 H new ATOM 1064 N CYS A 66 99.972 6.702 -5.100 1.00 0.00 N ATOM 1065 CA CYS A 66 101.108 6.079 -4.396 1.00 0.00 C ATOM 1066 C CYS A 66 102.138 5.651 -5.430 1.00 0.00 C ATOM 1067 O CYS A 66 102.042 4.607 -6.042 1.00 0.00 O ATOM 1068 CB CYS A 66 100.618 4.862 -3.631 1.00 0.00 C ATOM 1069 SG CYS A 66 100.154 5.346 -1.950 1.00 0.00 S ATOM 0 H CYS A 66 99.607 6.163 -5.885 1.00 0.00 H new ATOM 0 HA CYS A 66 101.553 6.786 -3.696 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.763 4.419 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.399 4.102 -3.599 1.00 0.00 H new ATOM 0 HG CYS A 66 99.734 4.303 -1.298 1.00 0.00 H new ATOM 1075 N SER A 67 103.113 6.464 -5.615 1.00 0.00 N ATOM 1076 CA SER A 67 104.185 6.159 -6.605 1.00 0.00 C ATOM 1077 C SER A 67 104.858 4.834 -6.240 1.00 0.00 C ATOM 1078 O SER A 67 104.434 4.135 -5.341 1.00 0.00 O ATOM 1079 CB SER A 67 105.223 7.282 -6.590 1.00 0.00 C ATOM 1080 OG SER A 67 106.507 6.740 -6.872 1.00 0.00 O ATOM 0 H SER A 67 103.227 7.348 -5.119 1.00 0.00 H new ATOM 0 HA SER A 67 103.749 6.079 -7.601 1.00 0.00 H new ATOM 0 HB2 SER A 67 104.966 8.040 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 67 105.229 7.774 -5.617 1.00 0.00 H new ATOM 0 HG SER A 67 106.709 6.856 -7.824 1.00 0.00 H new ATOM 1086 N GLN A 68 105.905 4.481 -6.936 1.00 0.00 N ATOM 1087 CA GLN A 68 106.607 3.201 -6.635 1.00 0.00 C ATOM 1088 C GLN A 68 107.171 3.245 -5.212 1.00 0.00 C ATOM 1089 O GLN A 68 107.494 2.227 -4.633 1.00 0.00 O ATOM 1090 CB GLN A 68 107.752 3.003 -7.629 1.00 0.00 C ATOM 1091 CG GLN A 68 108.549 4.302 -7.760 1.00 0.00 C ATOM 1092 CD GLN A 68 109.843 4.033 -8.529 1.00 0.00 C ATOM 1093 OE1 GLN A 68 109.811 3.684 -9.693 1.00 0.00 O ATOM 1094 NE2 GLN A 68 110.990 4.180 -7.925 1.00 0.00 N ATOM 0 H GLN A 68 106.305 5.025 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 68 105.902 2.374 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.404 2.197 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.356 2.708 -8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 68 107.955 5.054 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 68 108.777 4.702 -6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 68 111.018 4.473 -6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 68 111.859 4.002 -8.429 1.00 0.00 H new ATOM 1103 N ASP A 69 107.293 4.415 -4.645 1.00 0.00 N ATOM 1104 CA ASP A 69 107.837 4.514 -3.261 1.00 0.00 C ATOM 1105 C ASP A 69 106.874 3.843 -2.284 1.00 0.00 C ATOM 1106 O ASP A 69 107.229 2.915 -1.583 1.00 0.00 O ATOM 1107 CB ASP A 69 108.006 5.987 -2.883 1.00 0.00 C ATOM 1108 CG ASP A 69 108.973 6.103 -1.701 1.00 0.00 C ATOM 1109 OD1 ASP A 69 110.151 6.307 -1.944 1.00 0.00 O ATOM 1110 OD2 ASP A 69 108.516 5.985 -0.577 1.00 0.00 O ATOM 0 H ASP A 69 107.040 5.303 -5.079 1.00 0.00 H new ATOM 0 HA ASP A 69 108.805 4.014 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.387 6.551 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.040 6.419 -2.621 1.00 0.00 H new ATOM 1115 N GLU A 70 105.658 4.304 -2.232 1.00 0.00 N ATOM 1116 CA GLU A 70 104.669 3.691 -1.302 1.00 0.00 C ATOM 1117 C GLU A 70 104.409 2.247 -1.728 1.00 0.00 C ATOM 1118 O GLU A 70 104.348 1.347 -0.913 1.00 0.00 O ATOM 1119 CB GLU A 70 103.361 4.485 -1.350 1.00 0.00 C ATOM 1120 CG GLU A 70 103.452 5.677 -0.395 1.00 0.00 C ATOM 1121 CD GLU A 70 102.404 6.721 -0.781 1.00 0.00 C ATOM 1122 OE1 GLU A 70 102.633 7.435 -1.743 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.387 6.788 -0.109 1.00 0.00 O ATOM 0 H GLU A 70 105.305 5.079 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 70 105.061 3.707 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.171 4.833 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.524 3.845 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.291 5.347 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 70 104.449 6.115 -0.437 1.00 0.00 H new ATOM 1130 N SER A 71 104.262 2.022 -3.002 1.00 0.00 N ATOM 1131 CA SER A 71 104.011 0.639 -3.491 1.00 0.00 C ATOM 1132 C SER A 71 105.275 -0.201 -3.295 1.00 0.00 C ATOM 1133 O SER A 71 105.216 -1.406 -3.151 1.00 0.00 O ATOM 1134 CB SER A 71 103.652 0.680 -4.976 1.00 0.00 C ATOM 1135 OG SER A 71 103.778 -0.623 -5.527 1.00 0.00 O ATOM 0 H SER A 71 104.305 2.737 -3.728 1.00 0.00 H new ATOM 0 HA SER A 71 103.186 0.197 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.633 1.045 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 71 104.308 1.374 -5.501 1.00 0.00 H new ATOM 0 HG SER A 71 103.547 -0.599 -6.479 1.00 0.00 H new ATOM 1141 N GLY A 72 106.419 0.428 -3.286 1.00 0.00 N ATOM 1142 CA GLY A 72 107.685 -0.333 -3.096 1.00 0.00 C ATOM 1143 C GLY A 72 107.761 -0.840 -1.654 1.00 0.00 C ATOM 1144 O GLY A 72 108.201 -1.942 -1.397 1.00 0.00 O ATOM 0 H GLY A 72 106.531 1.435 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.726 -1.172 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.542 0.304 -3.315 1.00 0.00 H new ATOM 1148 N ALA A 73 107.333 -0.044 -0.713 1.00 0.00 N ATOM 1149 CA ALA A 73 107.379 -0.481 0.711 1.00 0.00 C ATOM 1150 C ALA A 73 106.364 -1.603 0.930 1.00 0.00 C ATOM 1151 O ALA A 73 106.668 -2.626 1.511 1.00 0.00 O ATOM 1152 CB ALA A 73 107.040 0.700 1.621 1.00 0.00 C ATOM 0 H ALA A 73 106.954 0.890 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 73 108.379 -0.843 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.074 0.379 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.764 1.500 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.040 1.065 1.386 1.00 0.00 H new ATOM 1158 N ALA A 74 105.161 -1.418 0.468 1.00 0.00 N ATOM 1159 CA ALA A 74 104.124 -2.472 0.646 1.00 0.00 C ATOM 1160 C ALA A 74 104.586 -3.758 -0.043 1.00 0.00 C ATOM 1161 O ALA A 74 104.437 -4.843 0.483 1.00 0.00 O ATOM 1162 CB ALA A 74 102.807 -2.001 0.022 1.00 0.00 C ATOM 0 H ALA A 74 104.850 -0.582 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 74 103.974 -2.662 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 74 102.047 -2.772 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.480 -1.083 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.955 -1.813 -1.041 1.00 0.00 H new ATOM 1168 N ALA A 75 105.145 -3.645 -1.215 1.00 0.00 N ATOM 1169 CA ALA A 75 105.616 -4.861 -1.937 1.00 0.00 C ATOM 1170 C ALA A 75 106.723 -5.541 -1.129 1.00 0.00 C ATOM 1171 O ALA A 75 106.732 -6.744 -0.962 1.00 0.00 O ATOM 1172 CB ALA A 75 106.160 -4.460 -3.309 1.00 0.00 C ATOM 0 H ALA A 75 105.296 -2.763 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 75 104.783 -5.552 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.505 -5.349 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.371 -3.977 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.992 -3.768 -3.182 1.00 0.00 H new ATOM 1178 N ILE A 76 107.655 -4.781 -0.623 1.00 0.00 N ATOM 1179 CA ILE A 76 108.758 -5.391 0.175 1.00 0.00 C ATOM 1180 C ILE A 76 108.161 -6.249 1.291 1.00 0.00 C ATOM 1181 O ILE A 76 108.512 -7.400 1.457 1.00 0.00 O ATOM 1182 CB ILE A 76 109.620 -4.282 0.782 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.517 -3.681 -0.303 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.494 -4.863 1.896 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.179 -2.409 0.229 1.00 0.00 C ATOM 0 H ILE A 76 107.701 -3.767 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 76 109.376 -6.015 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 76 108.973 -3.507 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 76 111.278 -4.402 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.928 -3.453 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 76 111.107 -4.072 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.859 -5.292 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 76 111.139 -5.639 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.818 -1.981 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.410 -1.687 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.781 -2.651 1.105 1.00 0.00 H new ATOM 1197 N PHE A 77 107.261 -5.698 2.059 1.00 0.00 N ATOM 1198 CA PHE A 77 106.643 -6.485 3.163 1.00 0.00 C ATOM 1199 C PHE A 77 105.906 -7.691 2.574 1.00 0.00 C ATOM 1200 O PHE A 77 105.843 -8.746 3.174 1.00 0.00 O ATOM 1201 CB PHE A 77 105.649 -5.603 3.922 1.00 0.00 C ATOM 1202 CG PHE A 77 106.388 -4.774 4.945 1.00 0.00 C ATOM 1203 CD1 PHE A 77 107.417 -3.914 4.539 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.046 -4.864 6.300 1.00 0.00 C ATOM 1205 CE1 PHE A 77 108.101 -3.145 5.486 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.732 -4.095 7.248 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.758 -3.236 6.842 1.00 0.00 C ATOM 0 H PHE A 77 106.927 -4.738 1.970 1.00 0.00 H new ATOM 0 HA PHE A 77 107.420 -6.829 3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 77 105.119 -4.953 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.899 -6.223 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 77 107.682 -3.845 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 77 105.253 -5.527 6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 77 108.893 -2.481 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 77 106.469 -4.165 8.293 1.00 0.00 H new ATOM 0 HZ PHE A 77 108.286 -2.642 7.573 1.00 0.00 H new ATOM 1217 N THR A 78 105.350 -7.541 1.402 1.00 0.00 N ATOM 1218 CA THR A 78 104.621 -8.677 0.772 1.00 0.00 C ATOM 1219 C THR A 78 105.620 -9.765 0.379 1.00 0.00 C ATOM 1220 O THR A 78 105.402 -10.937 0.610 1.00 0.00 O ATOM 1221 CB THR A 78 103.888 -8.176 -0.475 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.534 -6.811 -0.297 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.623 -9.005 -0.701 1.00 0.00 C ATOM 0 H THR A 78 105.370 -6.681 0.854 1.00 0.00 H new ATOM 0 HA THR A 78 103.899 -9.088 1.477 1.00 0.00 H new ATOM 0 HB THR A 78 104.542 -8.276 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 78 104.347 -6.272 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.105 -8.644 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.894 -10.052 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.967 -8.911 0.164 1.00 0.00 H new ATOM 1231 N VAL A 79 106.718 -9.384 -0.213 1.00 0.00 N ATOM 1232 CA VAL A 79 107.736 -10.392 -0.621 1.00 0.00 C ATOM 1233 C VAL A 79 108.287 -11.090 0.623 1.00 0.00 C ATOM 1234 O VAL A 79 108.657 -12.245 0.585 1.00 0.00 O ATOM 1235 CB VAL A 79 108.876 -9.695 -1.363 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.868 -10.741 -1.872 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.307 -8.912 -2.549 1.00 0.00 C ATOM 0 H VAL A 79 106.954 -8.416 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 79 107.275 -11.130 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 79 109.386 -9.010 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.681 -10.244 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.272 -11.300 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.359 -11.426 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.119 -8.414 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.797 -9.597 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.599 -8.166 -2.187 1.00 0.00 H new ATOM 1247 N GLN A 80 108.341 -10.396 1.727 1.00 0.00 N ATOM 1248 CA GLN A 80 108.865 -11.023 2.972 1.00 0.00 C ATOM 1249 C GLN A 80 107.903 -12.121 3.424 1.00 0.00 C ATOM 1250 O GLN A 80 108.262 -13.282 3.500 1.00 0.00 O ATOM 1251 CB GLN A 80 108.984 -9.962 4.069 1.00 0.00 C ATOM 1252 CG GLN A 80 110.197 -9.072 3.789 1.00 0.00 C ATOM 1253 CD GLN A 80 110.511 -8.233 5.029 1.00 0.00 C ATOM 1254 OE1 GLN A 80 109.722 -8.169 5.950 1.00 0.00 O ATOM 1255 NE2 GLN A 80 111.640 -7.581 5.091 1.00 0.00 N ATOM 0 H GLN A 80 108.045 -9.424 1.820 1.00 0.00 H new ATOM 0 HA GLN A 80 109.848 -11.453 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 80 108.077 -9.358 4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.088 -10.441 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 80 111.058 -9.685 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.995 -8.421 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 80 112.303 -7.635 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 80 111.859 -7.018 5.913 1.00 0.00 H new ATOM 1264 N LEU A 81 106.680 -11.774 3.719 1.00 0.00 N ATOM 1265 CA LEU A 81 105.706 -12.808 4.156 1.00 0.00 C ATOM 1266 C LEU A 81 105.726 -13.959 3.147 1.00 0.00 C ATOM 1267 O LEU A 81 105.505 -15.103 3.489 1.00 0.00 O ATOM 1268 CB LEU A 81 104.301 -12.191 4.250 1.00 0.00 C ATOM 1269 CG LEU A 81 103.482 -12.508 2.991 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.998 -13.965 3.032 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.274 -11.572 2.932 1.00 0.00 C ATOM 0 H LEU A 81 106.316 -10.822 3.676 1.00 0.00 H new ATOM 0 HA LEU A 81 105.977 -13.189 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.787 -12.577 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 104.381 -11.111 4.375 1.00 0.00 H new ATOM 0 HG LEU A 81 104.106 -12.366 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.418 -14.181 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.858 -14.633 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 81 102.374 -14.116 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.687 -11.791 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.656 -11.719 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.616 -10.538 2.896 1.00 0.00 H new ATOM 1283 N ASP A 82 105.996 -13.660 1.905 1.00 0.00 N ATOM 1284 CA ASP A 82 106.039 -14.734 0.876 1.00 0.00 C ATOM 1285 C ASP A 82 107.173 -15.700 1.215 1.00 0.00 C ATOM 1286 O ASP A 82 106.954 -16.876 1.427 1.00 0.00 O ATOM 1287 CB ASP A 82 106.283 -14.117 -0.502 1.00 0.00 C ATOM 1288 CG ASP A 82 106.150 -15.198 -1.577 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.031 -15.602 -1.847 1.00 0.00 O ATOM 1290 OD2 ASP A 82 107.169 -15.601 -2.113 1.00 0.00 O ATOM 0 H ASP A 82 106.188 -12.719 1.560 1.00 0.00 H new ATOM 0 HA ASP A 82 105.090 -15.270 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 82 105.566 -13.317 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 82 107.277 -13.670 -0.541 1.00 0.00 H new ATOM 1295 N ASP A 83 108.383 -15.217 1.277 1.00 0.00 N ATOM 1296 CA ASP A 83 109.516 -16.120 1.617 1.00 0.00 C ATOM 1297 C ASP A 83 109.110 -16.975 2.813 1.00 0.00 C ATOM 1298 O ASP A 83 109.481 -18.127 2.924 1.00 0.00 O ATOM 1299 CB ASP A 83 110.751 -15.289 1.973 1.00 0.00 C ATOM 1300 CG ASP A 83 111.388 -14.747 0.692 1.00 0.00 C ATOM 1301 OD1 ASP A 83 110.793 -13.876 0.080 1.00 0.00 O ATOM 1302 OD2 ASP A 83 112.462 -15.213 0.344 1.00 0.00 O ATOM 0 H ASP A 83 108.634 -14.243 1.108 1.00 0.00 H new ATOM 0 HA ASP A 83 109.754 -16.757 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.471 -14.465 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 83 111.469 -15.901 2.518 1.00 0.00 H new ATOM 1307 N TYR A 84 108.334 -16.421 3.701 1.00 0.00 N ATOM 1308 CA TYR A 84 107.883 -17.201 4.885 1.00 0.00 C ATOM 1309 C TYR A 84 106.808 -18.193 4.439 1.00 0.00 C ATOM 1310 O TYR A 84 106.692 -19.280 4.972 1.00 0.00 O ATOM 1311 CB TYR A 84 107.309 -16.242 5.936 1.00 0.00 C ATOM 1312 CG TYR A 84 106.246 -16.944 6.748 1.00 0.00 C ATOM 1313 CD1 TYR A 84 106.585 -18.045 7.545 1.00 0.00 C ATOM 1314 CD2 TYR A 84 104.921 -16.496 6.702 1.00 0.00 C ATOM 1315 CE1 TYR A 84 105.599 -18.696 8.296 1.00 0.00 C ATOM 1316 CE2 TYR A 84 103.935 -17.146 7.453 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.274 -18.246 8.250 1.00 0.00 C ATOM 1318 OH TYR A 84 103.300 -18.888 8.989 1.00 0.00 O ATOM 0 H TYR A 84 107.992 -15.461 3.658 1.00 0.00 H new ATOM 0 HA TYR A 84 108.722 -17.744 5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.105 -15.888 6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.885 -15.365 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 84 107.607 -18.392 7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 84 104.659 -15.648 6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 84 105.860 -19.545 8.910 1.00 0.00 H new ATOM 0 HE2 TYR A 84 102.913 -16.799 7.418 1.00 0.00 H new ATOM 0 HH TYR A 84 102.436 -18.448 8.844 1.00 0.00 H new ATOM 1328 N LEU A 85 106.021 -17.827 3.461 1.00 0.00 N ATOM 1329 CA LEU A 85 104.956 -18.743 2.972 1.00 0.00 C ATOM 1330 C LEU A 85 105.167 -19.024 1.482 1.00 0.00 C ATOM 1331 O LEU A 85 104.222 -19.160 0.728 1.00 0.00 O ATOM 1332 CB LEU A 85 103.584 -18.093 3.187 1.00 0.00 C ATOM 1333 CG LEU A 85 102.562 -19.168 3.567 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.213 -18.510 3.864 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.402 -20.152 2.405 1.00 0.00 C ATOM 0 H LEU A 85 106.073 -16.929 2.980 1.00 0.00 H new ATOM 0 HA LEU A 85 105.001 -19.681 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.646 -17.341 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.267 -17.580 2.279 1.00 0.00 H new ATOM 0 HG LEU A 85 102.909 -19.701 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 85 100.486 -19.276 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 85 101.325 -17.808 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.866 -17.977 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.675 -20.918 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 85 102.055 -19.617 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 85 103.362 -20.622 2.192 1.00 0.00 H new ATOM 1347 N ASN A 86 106.395 -19.114 1.048 1.00 0.00 N ATOM 1348 CA ASN A 86 106.655 -19.390 -0.391 1.00 0.00 C ATOM 1349 C ASN A 86 106.412 -20.871 -0.667 1.00 0.00 C ATOM 1350 O ASN A 86 106.983 -21.451 -1.569 1.00 0.00 O ATOM 1351 CB ASN A 86 108.103 -19.033 -0.733 1.00 0.00 C ATOM 1352 CG ASN A 86 109.053 -19.959 0.029 1.00 0.00 C ATOM 1353 OD1 ASN A 86 109.167 -19.836 1.323 1.00 0.00 O flip ATOM 1354 ND2 ASN A 86 109.697 -20.805 -0.559 1.00 0.00 N flip ATOM 0 H ASN A 86 107.227 -19.008 1.628 1.00 0.00 H new ATOM 0 HA ASN A 86 105.986 -18.787 -1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.268 -19.129 -1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 86 108.304 -17.994 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 86 109.608 -20.902 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 86 110.326 -21.418 -0.041 1.00 0.00 H new ATOM 1361 N GLY A 87 105.566 -21.482 0.108 1.00 0.00 N ATOM 1362 CA GLY A 87 105.272 -22.928 -0.095 1.00 0.00 C ATOM 1363 C GLY A 87 104.479 -23.112 -1.392 1.00 0.00 C ATOM 1364 O GLY A 87 104.890 -23.825 -2.285 1.00 0.00 O ATOM 0 H GLY A 87 105.062 -21.042 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 87 106.201 -23.496 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.703 -23.316 0.750 1.00 0.00 H new ATOM 1368 N ARG A 88 103.346 -22.476 -1.499 1.00 0.00 N ATOM 1369 CA ARG A 88 102.528 -22.615 -2.737 1.00 0.00 C ATOM 1370 C ARG A 88 101.298 -21.709 -2.643 1.00 0.00 C ATOM 1371 O ARG A 88 100.190 -22.119 -2.930 1.00 0.00 O ATOM 1372 CB ARG A 88 102.080 -24.070 -2.892 1.00 0.00 C ATOM 1373 CG ARG A 88 101.483 -24.563 -1.573 1.00 0.00 C ATOM 1374 CD ARG A 88 100.713 -25.863 -1.814 1.00 0.00 C ATOM 1375 NE ARG A 88 99.716 -25.654 -2.902 1.00 0.00 N ATOM 1376 CZ ARG A 88 98.545 -25.148 -2.626 1.00 0.00 C ATOM 1377 NH1 ARG A 88 97.672 -24.963 -3.579 1.00 0.00 N ATOM 1378 NH2 ARG A 88 98.248 -24.824 -1.397 1.00 0.00 N ATOM 0 H ARG A 88 102.951 -21.866 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 88 103.126 -22.325 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 88 101.342 -24.151 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 88 102.927 -24.694 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 88 102.275 -24.727 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 88 100.818 -23.806 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 88 101.403 -26.662 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 88 100.209 -26.175 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 88 99.949 -25.906 -3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 88 97.905 -25.214 -4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 88 96.757 -24.568 -3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 88 98.931 -24.966 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 88 97.333 -24.428 -1.181 1.00 0.00 H new ATOM 1392 N ALA A 89 101.484 -20.480 -2.243 1.00 0.00 N ATOM 1393 CA ALA A 89 100.325 -19.550 -2.129 1.00 0.00 C ATOM 1394 C ALA A 89 100.107 -18.843 -3.468 1.00 0.00 C ATOM 1395 O ALA A 89 100.830 -19.058 -4.420 1.00 0.00 O ATOM 1396 CB ALA A 89 100.609 -18.511 -1.044 1.00 0.00 C ATOM 0 H ALA A 89 102.388 -20.080 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 89 99.430 -20.114 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.761 -17.831 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.765 -19.015 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.503 -17.946 -1.307 1.00 0.00 H new ATOM 1402 N VAL A 90 99.112 -17.999 -3.548 1.00 0.00 N ATOM 1403 CA VAL A 90 98.843 -17.276 -4.823 1.00 0.00 C ATOM 1404 C VAL A 90 98.793 -15.769 -4.554 1.00 0.00 C ATOM 1405 O VAL A 90 97.894 -15.276 -3.903 1.00 0.00 O ATOM 1406 CB VAL A 90 97.501 -17.735 -5.396 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.087 -16.804 -6.537 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.636 -19.163 -5.927 1.00 0.00 C ATOM 0 H VAL A 90 98.474 -17.780 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 90 99.637 -17.492 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 90 96.743 -17.708 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.131 -17.131 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 90 96.991 -15.786 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 90 97.844 -16.830 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.680 -19.491 -6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.394 -19.190 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.930 -19.827 -5.114 1.00 0.00 H new ATOM 1418 N GLN A 91 99.751 -15.037 -5.052 1.00 0.00 N ATOM 1419 CA GLN A 91 99.756 -13.563 -4.825 1.00 0.00 C ATOM 1420 C GLN A 91 99.267 -12.853 -6.088 1.00 0.00 C ATOM 1421 O GLN A 91 99.654 -13.192 -7.190 1.00 0.00 O ATOM 1422 CB GLN A 91 101.179 -13.102 -4.500 1.00 0.00 C ATOM 1423 CG GLN A 91 101.160 -11.621 -4.114 1.00 0.00 C ATOM 1424 CD GLN A 91 102.488 -11.248 -3.454 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.843 -11.790 -2.426 1.00 0.00 O ATOM 1426 NE2 GLN A 91 103.242 -10.338 -4.005 1.00 0.00 N ATOM 0 H GLN A 91 100.530 -15.394 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 91 99.096 -13.321 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.588 -13.697 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.828 -13.256 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 91 100.996 -11.006 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 91 100.334 -11.423 -3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 91 102.944 -9.883 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.130 -10.081 -3.573 1.00 0.00 H new ATOM 1435 N HIS A 92 98.421 -11.869 -5.944 1.00 0.00 N ATOM 1436 CA HIS A 92 97.916 -11.145 -7.143 1.00 0.00 C ATOM 1437 C HIS A 92 97.748 -9.662 -6.811 1.00 0.00 C ATOM 1438 O HIS A 92 96.985 -9.292 -5.941 1.00 0.00 O ATOM 1439 CB HIS A 92 96.572 -11.736 -7.582 1.00 0.00 C ATOM 1440 CG HIS A 92 95.774 -12.157 -6.375 1.00 0.00 C ATOM 1441 ND1 HIS A 92 96.069 -12.978 -5.313 1.00 0.00 N flip ATOM 1442 CD2 HIS A 92 94.472 -11.724 -6.168 1.00 0.00 C flip ATOM 1443 CE1 HIS A 92 94.970 -13.051 -4.464 1.00 0.00 C flip ATOM 1444 NE2 HIS A 92 94.035 -12.280 -5.022 1.00 0.00 N flip ATOM 0 H HIS A 92 98.059 -11.537 -5.050 1.00 0.00 H new ATOM 0 HA HIS A 92 98.633 -11.253 -7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 92 96.013 -10.999 -8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 92 96.738 -12.593 -8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 92 93.911 -11.061 -6.810 1.00 0.00 H new ATOM 0 HE1 HIS A 92 94.890 -13.614 -3.546 1.00 0.00 H new ATOM 0 HE2 HIS A 92 93.105 -12.130 -4.630 1.00 0.00 H new ATOM 1452 N ARG A 93 98.460 -8.810 -7.495 1.00 0.00 N ATOM 1453 CA ARG A 93 98.350 -7.350 -7.218 1.00 0.00 C ATOM 1454 C ARG A 93 97.144 -6.772 -7.960 1.00 0.00 C ATOM 1455 O ARG A 93 96.887 -7.097 -9.103 1.00 0.00 O ATOM 1456 CB ARG A 93 99.624 -6.647 -7.692 1.00 0.00 C ATOM 1457 CG ARG A 93 100.837 -7.238 -6.966 1.00 0.00 C ATOM 1458 CD ARG A 93 102.070 -7.160 -7.871 1.00 0.00 C ATOM 1459 NE ARG A 93 102.207 -8.432 -8.635 1.00 0.00 N ATOM 1460 CZ ARG A 93 103.370 -8.785 -9.109 1.00 0.00 C ATOM 1461 NH1 ARG A 93 103.492 -9.900 -9.776 1.00 0.00 N ATOM 1462 NH2 ARG A 93 104.412 -8.025 -8.916 1.00 0.00 N ATOM 0 H ARG A 93 99.115 -9.062 -8.235 1.00 0.00 H new ATOM 0 HA ARG A 93 98.221 -7.194 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.738 -6.767 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.556 -5.577 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 93 101.019 -6.693 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.640 -8.275 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.977 -6.319 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.964 -6.985 -7.272 1.00 0.00 H new ATOM 0 HE ARG A 93 101.392 -9.026 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 93 102.678 -10.496 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 93 104.401 -10.176 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 93 104.318 -7.154 -8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 93 105.321 -8.302 -9.287 1.00 0.00 H new ATOM 1476 N GLU A 94 96.402 -5.911 -7.316 1.00 0.00 N ATOM 1477 CA GLU A 94 95.211 -5.303 -7.976 1.00 0.00 C ATOM 1478 C GLU A 94 95.243 -3.786 -7.778 1.00 0.00 C ATOM 1479 O GLU A 94 95.846 -3.284 -6.850 1.00 0.00 O ATOM 1480 CB GLU A 94 93.935 -5.875 -7.349 1.00 0.00 C ATOM 1481 CG GLU A 94 93.476 -7.099 -8.145 1.00 0.00 C ATOM 1482 CD GLU A 94 92.600 -7.983 -7.256 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.975 -9.121 -7.032 1.00 0.00 O ATOM 1484 OE2 GLU A 94 91.565 -7.507 -6.817 1.00 0.00 O ATOM 0 H GLU A 94 96.570 -5.602 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 94 95.225 -5.532 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.120 -6.152 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.151 -5.118 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 94 92.918 -6.785 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.340 -7.662 -8.498 1.00 0.00 H new ATOM 1491 N VAL A 95 94.598 -3.050 -8.644 1.00 0.00 N ATOM 1492 CA VAL A 95 94.592 -1.567 -8.507 1.00 0.00 C ATOM 1493 C VAL A 95 93.159 -1.046 -8.636 1.00 0.00 C ATOM 1494 O VAL A 95 92.243 -1.788 -8.931 1.00 0.00 O ATOM 1495 CB VAL A 95 95.458 -0.950 -9.607 1.00 0.00 C ATOM 1496 CG1 VAL A 95 95.510 0.568 -9.425 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.876 -1.520 -9.519 1.00 0.00 C ATOM 0 H VAL A 95 94.075 -3.414 -9.441 1.00 0.00 H new ATOM 0 HA VAL A 95 94.992 -1.292 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 95 95.029 -1.186 -10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 95 96.127 1.007 -10.209 1.00 0.00 H new ATOM 0 HG12 VAL A 95 94.501 0.976 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 95 95.939 0.803 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.494 -1.081 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.303 -1.284 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.842 -2.602 -9.647 1.00 0.00 H new ATOM 1507 N GLN A 96 92.960 0.225 -8.416 1.00 0.00 N ATOM 1508 CA GLN A 96 91.587 0.794 -8.526 1.00 0.00 C ATOM 1509 C GLN A 96 91.061 0.590 -9.948 1.00 0.00 C ATOM 1510 O GLN A 96 91.782 0.740 -10.915 1.00 0.00 O ATOM 1511 CB GLN A 96 91.630 2.290 -8.208 1.00 0.00 C ATOM 1512 CG GLN A 96 90.212 2.797 -7.936 1.00 0.00 C ATOM 1513 CD GLN A 96 90.154 4.307 -8.169 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.535 4.793 -9.317 1.00 0.00 O flip ATOM 1515 NE2 GLN A 96 89.758 5.053 -7.294 1.00 0.00 N flip ATOM 0 H GLN A 96 93.688 0.893 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 96 90.927 0.290 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.264 2.470 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 96 92.069 2.837 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 96 89.502 2.290 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 96 89.923 2.566 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 96 89.460 4.673 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 96 89.724 6.059 -7.458 1.00 0.00 H new ATOM 1524 N GLY A 97 89.809 0.250 -10.083 1.00 0.00 N ATOM 1525 CA GLY A 97 89.237 0.036 -11.443 1.00 0.00 C ATOM 1526 C GLY A 97 89.818 -1.245 -12.044 1.00 0.00 C ATOM 1527 O GLY A 97 89.277 -1.804 -12.978 1.00 0.00 O ATOM 0 H GLY A 97 89.157 0.111 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 97 88.151 -0.037 -11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 97 89.466 0.888 -12.084 1.00 0.00 H new ATOM 1531 N PHE A 98 90.917 -1.713 -11.518 1.00 0.00 N ATOM 1532 CA PHE A 98 91.533 -2.958 -12.059 1.00 0.00 C ATOM 1533 C PHE A 98 91.300 -4.110 -11.078 1.00 0.00 C ATOM 1534 O PHE A 98 91.783 -5.208 -11.268 1.00 0.00 O ATOM 1535 CB PHE A 98 93.038 -2.743 -12.244 1.00 0.00 C ATOM 1536 CG PHE A 98 93.550 -3.658 -13.331 1.00 0.00 C ATOM 1537 CD1 PHE A 98 93.566 -3.223 -14.662 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.006 -4.941 -13.008 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.038 -4.071 -15.669 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.480 -5.789 -14.016 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.496 -5.355 -15.347 1.00 0.00 C ATOM 0 H PHE A 98 91.415 -1.287 -10.737 1.00 0.00 H new ATOM 0 HA PHE A 98 91.079 -3.201 -13.020 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.238 -1.704 -12.505 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.562 -2.943 -11.309 1.00 0.00 H new ATOM 0 HD1 PHE A 98 93.214 -2.233 -14.911 1.00 0.00 H new ATOM 0 HD2 PHE A 98 93.992 -5.277 -11.982 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.049 -3.736 -16.696 1.00 0.00 H new ATOM 0 HE2 PHE A 98 94.834 -6.779 -13.767 1.00 0.00 H new ATOM 0 HZ PHE A 98 94.861 -6.010 -16.125 1.00 0.00 H new ATOM 1551 N GLU A 99 90.559 -3.868 -10.031 1.00 0.00 N ATOM 1552 CA GLU A 99 90.294 -4.949 -9.040 1.00 0.00 C ATOM 1553 C GLU A 99 89.993 -6.256 -9.776 1.00 0.00 C ATOM 1554 O GLU A 99 89.445 -6.257 -10.860 1.00 0.00 O ATOM 1555 CB GLU A 99 89.093 -4.564 -8.174 1.00 0.00 C ATOM 1556 CG GLU A 99 89.404 -3.271 -7.417 1.00 0.00 C ATOM 1557 CD GLU A 99 88.096 -2.561 -7.060 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.190 -2.583 -7.877 1.00 0.00 O ATOM 1559 OE2 GLU A 99 88.023 -2.006 -5.975 1.00 0.00 O ATOM 0 H GLU A 99 90.126 -2.969 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 99 91.171 -5.083 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.209 -4.429 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.867 -5.365 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.968 -3.494 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 99 90.028 -2.620 -8.029 1.00 0.00 H new ATOM 1566 N SER A 100 90.350 -7.369 -9.197 1.00 0.00 N ATOM 1567 CA SER A 100 90.083 -8.675 -9.864 1.00 0.00 C ATOM 1568 C SER A 100 88.631 -9.086 -9.620 1.00 0.00 C ATOM 1569 O SER A 100 87.938 -8.503 -8.809 1.00 0.00 O ATOM 1570 CB SER A 100 91.018 -9.741 -9.291 1.00 0.00 C ATOM 1571 OG SER A 100 92.366 -9.320 -9.454 1.00 0.00 O ATOM 0 H SER A 100 90.815 -7.431 -8.291 1.00 0.00 H new ATOM 0 HA SER A 100 90.257 -8.577 -10.936 1.00 0.00 H new ATOM 0 HB2 SER A 100 90.800 -9.902 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 100 90.858 -10.692 -9.799 1.00 0.00 H new ATOM 0 HG SER A 100 92.968 -10.007 -9.101 1.00 0.00 H new ATOM 1577 N ALA A 101 88.161 -10.086 -10.315 1.00 0.00 N ATOM 1578 CA ALA A 101 86.754 -10.533 -10.123 1.00 0.00 C ATOM 1579 C ALA A 101 86.566 -11.036 -8.690 1.00 0.00 C ATOM 1580 O ALA A 101 85.521 -10.867 -8.094 1.00 0.00 O ATOM 1581 CB ALA A 101 86.439 -11.664 -11.105 1.00 0.00 C ATOM 0 H ALA A 101 88.692 -10.613 -11.008 1.00 0.00 H new ATOM 0 HA ALA A 101 86.081 -9.695 -10.304 1.00 0.00 H new ATOM 0 HB1 ALA A 101 85.409 -11.991 -10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 101 86.570 -11.306 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 101 87.114 -12.501 -10.925 1.00 0.00 H new ATOM 1587 N THR A 102 87.571 -11.656 -8.133 1.00 0.00 N ATOM 1588 CA THR A 102 87.449 -12.172 -6.741 1.00 0.00 C ATOM 1589 C THR A 102 87.111 -11.020 -5.796 1.00 0.00 C ATOM 1590 O THR A 102 86.083 -11.015 -5.146 1.00 0.00 O ATOM 1591 CB THR A 102 88.773 -12.809 -6.314 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.153 -13.790 -7.268 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.605 -13.466 -4.942 1.00 0.00 C ATOM 0 H THR A 102 88.471 -11.827 -8.582 1.00 0.00 H new ATOM 0 HA THR A 102 86.656 -12.919 -6.701 1.00 0.00 H new ATOM 0 HB THR A 102 89.545 -12.041 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.002 -14.198 -6.997 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.548 -13.920 -4.638 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.313 -12.712 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 102 87.834 -14.235 -4.999 1.00 0.00 H new ATOM 1601 N PHE A 103 87.971 -10.046 -5.711 1.00 0.00 N ATOM 1602 CA PHE A 103 87.705 -8.892 -4.806 1.00 0.00 C ATOM 1603 C PHE A 103 86.380 -8.231 -5.188 1.00 0.00 C ATOM 1604 O PHE A 103 85.593 -7.861 -4.339 1.00 0.00 O ATOM 1605 CB PHE A 103 88.839 -7.873 -4.932 1.00 0.00 C ATOM 1606 CG PHE A 103 88.928 -7.059 -3.663 1.00 0.00 C ATOM 1607 CD1 PHE A 103 88.077 -5.964 -3.474 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.860 -7.399 -2.678 1.00 0.00 C ATOM 1609 CE1 PHE A 103 88.159 -5.209 -2.298 1.00 0.00 C ATOM 1610 CE2 PHE A 103 89.942 -6.645 -1.501 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.092 -5.549 -1.312 1.00 0.00 C ATOM 0 H PHE A 103 88.848 -9.998 -6.229 1.00 0.00 H new ATOM 0 HA PHE A 103 87.647 -9.247 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.784 -8.385 -5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.661 -7.218 -5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 103 87.357 -5.702 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.517 -8.244 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 103 87.502 -4.364 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 103 90.661 -6.909 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 103 89.156 -4.966 -0.405 1.00 0.00 H new ATOM 1621 N LEU A 104 86.125 -8.078 -6.458 1.00 0.00 N ATOM 1622 CA LEU A 104 84.851 -7.439 -6.889 1.00 0.00 C ATOM 1623 C LEU A 104 83.672 -8.338 -6.507 1.00 0.00 C ATOM 1624 O LEU A 104 82.576 -7.873 -6.272 1.00 0.00 O ATOM 1625 CB LEU A 104 84.866 -7.237 -8.406 1.00 0.00 C ATOM 1626 CG LEU A 104 85.712 -6.009 -8.750 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.264 -6.151 -10.170 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.843 -4.750 -8.667 1.00 0.00 C ATOM 0 H LEU A 104 86.744 -8.368 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 104 84.747 -6.473 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.273 -8.121 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 104 83.849 -7.106 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 104 86.538 -5.929 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.867 -5.276 -10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.882 -7.047 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.437 -6.231 -10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.445 -3.875 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.017 -4.831 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.448 -4.647 -7.656 1.00 0.00 H new ATOM 1640 N GLY A 105 83.892 -9.623 -6.443 1.00 0.00 N ATOM 1641 CA GLY A 105 82.784 -10.549 -6.077 1.00 0.00 C ATOM 1642 C GLY A 105 82.623 -10.576 -4.555 1.00 0.00 C ATOM 1643 O GLY A 105 81.597 -10.967 -4.037 1.00 0.00 O ATOM 0 H GLY A 105 84.790 -10.071 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.855 -10.225 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.996 -11.551 -6.449 1.00 0.00 H new ATOM 1647 N TYR A 106 83.630 -10.161 -3.836 1.00 0.00 N ATOM 1648 CA TYR A 106 83.534 -10.164 -2.350 1.00 0.00 C ATOM 1649 C TYR A 106 82.777 -8.920 -1.887 1.00 0.00 C ATOM 1650 O TYR A 106 81.902 -8.989 -1.047 1.00 0.00 O ATOM 1651 CB TYR A 106 84.947 -10.164 -1.751 1.00 0.00 C ATOM 1652 CG TYR A 106 85.008 -11.134 -0.592 1.00 0.00 C ATOM 1653 CD1 TYR A 106 84.069 -11.049 0.442 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.004 -12.114 -0.556 1.00 0.00 C ATOM 1655 CE1 TYR A 106 84.127 -11.949 1.515 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.064 -13.014 0.516 1.00 0.00 C ATOM 1657 CZ TYR A 106 85.124 -12.931 1.551 1.00 0.00 C ATOM 1658 OH TYR A 106 85.182 -13.816 2.608 1.00 0.00 O ATOM 0 H TYR A 106 84.514 -9.820 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 106 83.000 -11.054 -2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.675 -10.445 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.210 -9.161 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 106 83.300 -10.291 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.728 -12.177 -1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 106 83.403 -11.885 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 106 86.834 -13.771 0.544 1.00 0.00 H new ATOM 0 HH TYR A 106 85.932 -14.433 2.477 1.00 0.00 H new ATOM 1668 N PHE A 107 83.107 -7.783 -2.430 1.00 0.00 N ATOM 1669 CA PHE A 107 82.411 -6.531 -2.027 1.00 0.00 C ATOM 1670 C PHE A 107 82.154 -5.669 -3.264 1.00 0.00 C ATOM 1671 O PHE A 107 82.941 -4.810 -3.609 1.00 0.00 O ATOM 1672 CB PHE A 107 83.286 -5.758 -1.038 1.00 0.00 C ATOM 1673 CG PHE A 107 83.857 -6.712 -0.017 1.00 0.00 C ATOM 1674 CD1 PHE A 107 83.013 -7.315 0.923 1.00 0.00 C ATOM 1675 CD2 PHE A 107 85.228 -6.994 -0.010 1.00 0.00 C ATOM 1676 CE1 PHE A 107 83.541 -8.200 1.871 1.00 0.00 C ATOM 1677 CE2 PHE A 107 85.756 -7.879 0.937 1.00 0.00 C ATOM 1678 CZ PHE A 107 84.912 -8.482 1.877 1.00 0.00 C ATOM 0 H PHE A 107 83.832 -7.666 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 107 81.461 -6.779 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 107 84.092 -5.251 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 107 82.697 -4.987 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 107 81.955 -7.098 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.879 -6.529 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.891 -8.665 2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 107 86.814 -8.097 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.319 -9.165 2.608 1.00 0.00 H new ATOM 1688 N LYS A 108 81.054 -5.889 -3.934 1.00 0.00 N ATOM 1689 CA LYS A 108 80.749 -5.079 -5.148 1.00 0.00 C ATOM 1690 C LYS A 108 79.883 -3.882 -4.755 1.00 0.00 C ATOM 1691 O LYS A 108 79.811 -2.897 -5.462 1.00 0.00 O ATOM 1692 CB LYS A 108 79.997 -5.942 -6.163 1.00 0.00 C ATOM 1693 CG LYS A 108 79.064 -6.904 -5.426 1.00 0.00 C ATOM 1694 CD LYS A 108 77.933 -7.335 -6.360 1.00 0.00 C ATOM 1695 CE LYS A 108 78.524 -7.993 -7.610 1.00 0.00 C ATOM 1696 NZ LYS A 108 79.471 -9.070 -7.202 1.00 0.00 N ATOM 0 H LYS A 108 80.356 -6.593 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 108 81.679 -4.725 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 108 79.423 -5.309 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 108 80.704 -6.502 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.620 -7.777 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 108 78.653 -6.421 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 108 77.270 -8.033 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 108 77.331 -6.471 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 108 77.727 -8.409 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 108 79.041 -7.249 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 79.624 -9.718 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 80.378 -8.646 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 79.072 -9.597 -6.399 1.00 0.00 H new ATOM 1710 N SER A 109 79.222 -3.958 -3.632 1.00 0.00 N ATOM 1711 CA SER A 109 78.360 -2.824 -3.194 1.00 0.00 C ATOM 1712 C SER A 109 79.133 -1.947 -2.207 1.00 0.00 C ATOM 1713 O SER A 109 78.721 -0.851 -1.883 1.00 0.00 O ATOM 1714 CB SER A 109 77.104 -3.370 -2.517 1.00 0.00 C ATOM 1715 OG SER A 109 76.456 -2.320 -1.812 1.00 0.00 O ATOM 0 H SER A 109 79.242 -4.757 -2.999 1.00 0.00 H new ATOM 0 HA SER A 109 78.074 -2.229 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 109 76.430 -3.793 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 109 77.367 -4.175 -1.831 1.00 0.00 H new ATOM 0 HG SER A 109 75.649 -2.667 -1.378 1.00 0.00 H new ATOM 1721 N GLY A 110 80.248 -2.422 -1.724 1.00 0.00 N ATOM 1722 CA GLY A 110 81.044 -1.614 -0.756 1.00 0.00 C ATOM 1723 C GLY A 110 82.168 -0.888 -1.497 1.00 0.00 C ATOM 1724 O GLY A 110 81.936 0.060 -2.220 1.00 0.00 O ATOM 0 H GLY A 110 80.642 -3.333 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.400 -0.892 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 110 81.462 -2.260 0.016 1.00 0.00 H new ATOM 1728 N LEU A 111 83.385 -1.328 -1.324 1.00 0.00 N ATOM 1729 CA LEU A 111 84.524 -0.667 -2.019 1.00 0.00 C ATOM 1730 C LEU A 111 84.339 0.851 -1.973 1.00 0.00 C ATOM 1731 O LEU A 111 84.220 1.503 -2.992 1.00 0.00 O ATOM 1732 CB LEU A 111 84.569 -1.132 -3.476 1.00 0.00 C ATOM 1733 CG LEU A 111 85.375 -2.432 -3.577 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.124 -3.080 -4.940 1.00 0.00 C ATOM 1735 CD2 LEU A 111 86.869 -2.128 -3.425 1.00 0.00 C ATOM 0 H LEU A 111 83.639 -2.118 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 111 85.457 -0.933 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 111 83.557 -1.290 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.022 -0.362 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 111 85.064 -3.112 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.696 -4.005 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 111 84.062 -3.301 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 111 85.435 -2.397 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 111 87.438 -3.055 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.184 -1.446 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 111 87.049 -1.666 -2.454 1.00 0.00 H new ATOM 1747 N LYS A 112 84.311 1.421 -0.799 1.00 0.00 N ATOM 1748 CA LYS A 112 84.134 2.896 -0.690 1.00 0.00 C ATOM 1749 C LYS A 112 85.444 3.596 -1.060 1.00 0.00 C ATOM 1750 O LYS A 112 86.454 3.431 -0.404 1.00 0.00 O ATOM 1751 CB LYS A 112 83.745 3.257 0.746 1.00 0.00 C ATOM 1752 CG LYS A 112 82.865 4.509 0.739 1.00 0.00 C ATOM 1753 CD LYS A 112 81.409 4.110 0.487 1.00 0.00 C ATOM 1754 CE LYS A 112 80.735 3.763 1.817 1.00 0.00 C ATOM 1755 NZ LYS A 112 79.330 3.337 1.564 1.00 0.00 N ATOM 0 H LYS A 112 84.403 0.928 0.089 1.00 0.00 H new ATOM 0 HA LYS A 112 83.347 3.221 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.211 2.427 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.640 3.432 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.950 5.031 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 112 83.203 5.199 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 112 80.876 4.927 -0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.367 3.255 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 112 81.284 2.966 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 112 80.751 4.627 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 78.871 3.101 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 78.810 4.111 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.327 2.501 0.945 1.00 0.00 H new ATOM 1769 N TYR A 113 85.435 4.376 -2.106 1.00 0.00 N ATOM 1770 CA TYR A 113 86.680 5.086 -2.517 1.00 0.00 C ATOM 1771 C TYR A 113 86.814 6.384 -1.719 1.00 0.00 C ATOM 1772 O TYR A 113 86.022 7.294 -1.858 1.00 0.00 O ATOM 1773 CB TYR A 113 86.612 5.410 -4.009 1.00 0.00 C ATOM 1774 CG TYR A 113 86.471 4.131 -4.799 1.00 0.00 C ATOM 1775 CD1 TYR A 113 87.540 3.231 -4.870 1.00 0.00 C ATOM 1776 CD2 TYR A 113 85.269 3.844 -5.459 1.00 0.00 C ATOM 1777 CE1 TYR A 113 87.409 2.044 -5.601 1.00 0.00 C ATOM 1778 CE2 TYR A 113 85.138 2.658 -6.190 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.209 1.757 -6.262 1.00 0.00 C ATOM 1780 OH TYR A 113 86.080 0.588 -6.983 1.00 0.00 O ATOM 0 H TYR A 113 84.620 4.553 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 113 87.543 4.449 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 113 85.767 6.069 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 113 87.512 5.942 -4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 113 88.466 3.452 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 113 84.443 4.538 -5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 113 88.234 1.349 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 113 84.211 2.437 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 113 85.184 0.544 -7.378 1.00 0.00 H new ATOM 1790 N LYS A 114 87.815 6.478 -0.887 1.00 0.00 N ATOM 1791 CA LYS A 114 88.005 7.719 -0.082 1.00 0.00 C ATOM 1792 C LYS A 114 89.134 8.552 -0.693 1.00 0.00 C ATOM 1793 O LYS A 114 89.888 8.080 -1.519 1.00 0.00 O ATOM 1794 CB LYS A 114 88.367 7.343 1.357 1.00 0.00 C ATOM 1795 CG LYS A 114 87.146 6.730 2.050 1.00 0.00 C ATOM 1796 CD LYS A 114 86.288 7.843 2.654 1.00 0.00 C ATOM 1797 CE LYS A 114 85.110 7.224 3.411 1.00 0.00 C ATOM 1798 NZ LYS A 114 85.607 6.141 4.305 1.00 0.00 N ATOM 0 H LYS A 114 88.510 5.749 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 114 87.083 8.300 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 114 89.195 6.634 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.702 8.226 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 114 86.560 6.153 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 114 87.466 6.040 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 114 86.888 8.454 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 114 85.922 8.503 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 114 84.599 7.988 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 114 84.382 6.823 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 85.111 6.189 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 85.429 5.217 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 86.629 6.260 4.459 1.00 0.00 H new ATOM 1812 N LYS A 115 89.256 9.788 -0.290 1.00 0.00 N ATOM 1813 CA LYS A 115 90.338 10.652 -0.845 1.00 0.00 C ATOM 1814 C LYS A 115 91.131 11.277 0.304 1.00 0.00 C ATOM 1815 O LYS A 115 90.640 11.411 1.408 1.00 0.00 O ATOM 1816 CB LYS A 115 89.717 11.763 -1.697 1.00 0.00 C ATOM 1817 CG LYS A 115 88.926 11.141 -2.851 1.00 0.00 C ATOM 1818 CD LYS A 115 89.859 10.904 -4.042 1.00 0.00 C ATOM 1819 CE LYS A 115 89.164 9.999 -5.063 1.00 0.00 C ATOM 1820 NZ LYS A 115 90.043 9.831 -6.254 1.00 0.00 N ATOM 0 H LYS A 115 88.653 10.237 0.400 1.00 0.00 H new ATOM 0 HA LYS A 115 91.004 10.049 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 115 89.061 12.382 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.498 12.416 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 115 88.479 10.199 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 115 88.108 11.800 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 115 90.125 11.855 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 115 90.787 10.443 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 115 88.948 9.028 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 115 88.209 10.433 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 89.573 9.216 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 90.228 10.760 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 90.943 9.399 -5.963 1.00 0.00 H new