USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 878 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 87 HIS : no HD1:sc= -0.0445 K(o=-0.091,f=-1) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -0.0468 F(o=-0.93,f=-0.091) USER MOD Set 2.1: A 52 SER OG : rot 118:sc= 1.23 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 1.11 K(o=2.3,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.011) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.836) USER MOD Single : A 14 HIS : no HD1:sc= -0.618 X(o=-0.62,f=-0.46) USER MOD Single : A 16 GLN : amide:sc= 0.436 K(o=0.44,f=-1.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.01 F(o=-3.1,f=-2) USER MOD Single : A 34 HIS : no HD1:sc= -0.275 X(o=-0.28,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0.361 (180deg=0.344) USER MOD Single : A 47 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.43) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.107 F(o=-0.72,f=-0.11) USER MOD Single : A 66 SER OG : rot 24:sc= 0.0528 USER MOD Single : A 69 ASN :FLIP amide:sc= 0.565 F(o=0,f=0.56) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 90 SER OG : rot -35:sc= 0.0113 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.54 K(o=1.5,f=-0.21) USER MOD Single : A 96 THR OG1 : rot 160:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 100:sc= 0.0455 USER MOD Single : A 104 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0332 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.543 0.263 7.190 1.00 0.00 N ATOM 2 CA GLY A 1 24.464 1.006 6.529 1.00 0.00 C ATOM 3 C GLY A 1 23.468 1.481 7.564 1.00 0.00 C ATOM 4 O GLY A 1 22.488 0.783 7.818 1.00 0.00 O ATOM 0 H1 GLY A 1 26.227 -0.063 6.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.023 0.883 7.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.144 -0.558 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.874 1.858 5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.967 0.371 5.796 1.00 0.00 H new ATOM 8 N SER A 2 23.668 2.674 8.116 1.00 0.00 N ATOM 9 CA SER A 2 22.821 3.266 9.143 1.00 0.00 C ATOM 10 C SER A 2 22.571 4.755 8.871 1.00 0.00 C ATOM 11 O SER A 2 23.088 5.284 7.883 1.00 0.00 O ATOM 12 CB SER A 2 23.480 2.972 10.499 1.00 0.00 C ATOM 13 OG SER A 2 24.891 3.121 10.458 1.00 0.00 O ATOM 0 H SER A 2 24.450 3.274 7.851 1.00 0.00 H new ATOM 0 HA SER A 2 21.823 2.827 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.068 3.643 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.233 1.956 10.807 1.00 0.00 H new ATOM 0 HG SER A 2 25.266 2.926 11.342 1.00 0.00 H new ATOM 19 N SER A 3 21.765 5.404 9.724 1.00 0.00 N ATOM 20 CA SER A 3 21.359 6.812 9.683 1.00 0.00 C ATOM 21 C SER A 3 21.076 7.271 8.247 1.00 0.00 C ATOM 22 O SER A 3 21.661 8.236 7.759 1.00 0.00 O ATOM 23 CB SER A 3 22.370 7.689 10.445 1.00 0.00 C ATOM 24 OG SER A 3 23.692 7.569 9.957 1.00 0.00 O ATOM 0 H SER A 3 21.350 4.919 10.520 1.00 0.00 H new ATOM 0 HA SER A 3 20.410 6.928 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.059 8.732 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.353 7.417 11.501 1.00 0.00 H new ATOM 0 HG SER A 3 24.287 8.149 10.477 1.00 0.00 H new ATOM 30 N GLY A 4 20.188 6.557 7.552 1.00 0.00 N ATOM 31 CA GLY A 4 19.841 6.855 6.169 1.00 0.00 C ATOM 32 C GLY A 4 18.804 7.960 5.981 1.00 0.00 C ATOM 33 O GLY A 4 18.732 8.514 4.888 1.00 0.00 O ATOM 0 H GLY A 4 19.690 5.754 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.749 7.137 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.467 5.944 5.701 1.00 0.00 H new ATOM 37 N SER A 5 18.000 8.244 7.004 1.00 0.00 N ATOM 38 CA SER A 5 16.932 9.239 7.084 1.00 0.00 C ATOM 39 C SER A 5 16.278 9.052 8.467 1.00 0.00 C ATOM 40 O SER A 5 16.724 8.224 9.277 1.00 0.00 O ATOM 41 CB SER A 5 15.923 9.051 5.922 1.00 0.00 C ATOM 42 OG SER A 5 14.832 9.962 5.947 1.00 0.00 O ATOM 0 H SER A 5 18.089 7.734 7.883 1.00 0.00 H new ATOM 0 HA SER A 5 17.311 10.256 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.452 9.160 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.533 8.033 5.954 1.00 0.00 H new ATOM 0 HG SER A 5 14.241 9.785 5.186 1.00 0.00 H new ATOM 48 N SER A 6 15.216 9.801 8.743 1.00 0.00 N ATOM 49 CA SER A 6 14.439 9.771 9.977 1.00 0.00 C ATOM 50 C SER A 6 12.929 9.754 9.704 1.00 0.00 C ATOM 51 O SER A 6 12.143 9.577 10.636 1.00 0.00 O ATOM 52 CB SER A 6 14.852 10.966 10.844 1.00 0.00 C ATOM 53 OG SER A 6 14.745 12.188 10.127 1.00 0.00 O ATOM 0 H SER A 6 14.854 10.482 8.076 1.00 0.00 H new ATOM 0 HA SER A 6 14.652 8.847 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.222 11.008 11.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.878 10.832 11.186 1.00 0.00 H new ATOM 0 HG SER A 6 15.013 12.932 10.706 1.00 0.00 H new ATOM 59 N GLY A 7 12.513 9.953 8.450 1.00 0.00 N ATOM 60 CA GLY A 7 11.124 9.979 8.034 1.00 0.00 C ATOM 61 C GLY A 7 10.977 8.990 6.898 1.00 0.00 C ATOM 62 O GLY A 7 11.257 9.337 5.758 1.00 0.00 O ATOM 0 H GLY A 7 13.162 10.105 7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.469 9.712 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.838 10.980 7.712 1.00 0.00 H new ATOM 66 N GLU A 8 10.568 7.763 7.205 1.00 0.00 N ATOM 67 CA GLU A 8 10.361 6.692 6.228 1.00 0.00 C ATOM 68 C GLU A 8 9.463 7.160 5.075 1.00 0.00 C ATOM 69 O GLU A 8 9.699 6.828 3.914 1.00 0.00 O ATOM 70 CB GLU A 8 9.815 5.444 6.945 1.00 0.00 C ATOM 71 CG GLU A 8 8.709 5.682 7.993 1.00 0.00 C ATOM 72 CD GLU A 8 8.355 4.416 8.778 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.275 3.654 9.155 1.00 0.00 O ATOM 74 OE2 GLU A 8 7.147 4.208 9.069 1.00 0.00 O ATOM 0 H GLU A 8 10.366 7.476 8.163 1.00 0.00 H new ATOM 0 HA GLU A 8 11.314 6.423 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.429 4.759 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.648 4.941 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.034 6.456 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.815 6.056 7.493 1.00 0.00 H new ATOM 81 N VAL A 9 8.493 8.018 5.383 1.00 0.00 N ATOM 82 CA VAL A 9 7.552 8.588 4.438 1.00 0.00 C ATOM 83 C VAL A 9 8.238 9.457 3.366 1.00 0.00 C ATOM 84 O VAL A 9 7.710 9.622 2.266 1.00 0.00 O ATOM 85 CB VAL A 9 6.525 9.373 5.273 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.096 10.597 6.016 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.349 9.811 4.419 1.00 0.00 C ATOM 0 H VAL A 9 8.340 8.344 6.337 1.00 0.00 H new ATOM 0 HA VAL A 9 7.060 7.803 3.863 1.00 0.00 H new ATOM 0 HB VAL A 9 6.201 8.669 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.300 11.086 6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.878 10.273 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.515 11.298 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.639 10.363 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.704 10.451 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.859 8.934 3.998 1.00 0.00 H new ATOM 97 N GLN A 10 9.398 10.041 3.685 1.00 0.00 N ATOM 98 CA GLN A 10 10.164 10.902 2.793 1.00 0.00 C ATOM 99 C GLN A 10 10.871 10.101 1.700 1.00 0.00 C ATOM 100 O GLN A 10 11.223 10.670 0.655 1.00 0.00 O ATOM 101 CB GLN A 10 11.233 11.660 3.601 1.00 0.00 C ATOM 102 CG GLN A 10 10.679 12.522 4.744 1.00 0.00 C ATOM 103 CD GLN A 10 9.940 13.736 4.202 1.00 0.00 C ATOM 104 OE1 GLN A 10 10.515 14.539 3.468 1.00 0.00 O ATOM 105 NE2 GLN A 10 8.681 13.935 4.536 1.00 0.00 N ATOM 0 H GLN A 10 9.838 9.921 4.598 1.00 0.00 H new ATOM 0 HA GLN A 10 9.463 11.593 2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.936 10.938 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.797 12.299 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.005 11.926 5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.496 12.847 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.204 13.270 5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.184 14.754 4.186 1.00 0.00 H new ATOM 114 N LYS A 11 11.124 8.810 1.930 1.00 0.00 N ATOM 115 CA LYS A 11 11.802 7.977 0.951 1.00 0.00 C ATOM 116 C LYS A 11 10.956 7.845 -0.312 1.00 0.00 C ATOM 117 O LYS A 11 9.725 7.964 -0.264 1.00 0.00 O ATOM 118 CB LYS A 11 12.124 6.599 1.546 1.00 0.00 C ATOM 119 CG LYS A 11 13.253 6.690 2.576 1.00 0.00 C ATOM 120 CD LYS A 11 13.688 5.286 3.015 1.00 0.00 C ATOM 121 CE LYS A 11 15.040 5.310 3.735 1.00 0.00 C ATOM 122 NZ LYS A 11 16.132 5.704 2.821 1.00 0.00 N ATOM 0 H LYS A 11 10.866 8.324 2.789 1.00 0.00 H new ATOM 0 HA LYS A 11 12.744 8.454 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.232 6.186 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.410 5.914 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.102 7.224 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.919 7.262 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.932 4.861 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.752 4.636 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.995 6.007 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.250 4.325 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.048 5.470 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.033 5.192 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.084 6.728 2.644 1.00 0.00 H new ATOM 136 N PRO A 12 11.595 7.630 -1.471 1.00 0.00 N ATOM 137 CA PRO A 12 10.850 7.466 -2.699 1.00 0.00 C ATOM 138 C PRO A 12 10.089 6.145 -2.590 1.00 0.00 C ATOM 139 O PRO A 12 10.509 5.246 -1.855 1.00 0.00 O ATOM 140 CB PRO A 12 11.903 7.422 -3.808 1.00 0.00 C ATOM 141 CG PRO A 12 13.113 6.821 -3.093 1.00 0.00 C ATOM 142 CD PRO A 12 13.023 7.464 -1.711 1.00 0.00 C ATOM 0 HA PRO A 12 10.131 8.260 -2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.582 6.807 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.117 8.415 -4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.056 5.734 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.048 7.068 -3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.481 6.832 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.543 8.422 -1.686 1.00 0.00 H new ATOM 150 N LEU A 13 8.983 5.997 -3.324 1.00 0.00 N ATOM 151 CA LEU A 13 8.225 4.747 -3.290 1.00 0.00 C ATOM 152 C LEU A 13 9.156 3.600 -3.723 1.00 0.00 C ATOM 153 O LEU A 13 9.047 2.504 -3.179 1.00 0.00 O ATOM 154 CB LEU A 13 6.921 4.877 -4.115 1.00 0.00 C ATOM 155 CG LEU A 13 6.310 3.573 -4.682 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.807 3.728 -4.923 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.907 3.229 -6.049 1.00 0.00 C ATOM 0 H LEU A 13 8.599 6.715 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 13 7.886 4.513 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.170 5.357 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.115 5.550 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 13 6.523 2.798 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.404 2.797 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.310 3.965 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.634 4.533 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.458 2.308 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.705 4.040 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.984 3.094 -5.952 1.00 0.00 H new ATOM 169 N HIS A 14 10.133 3.876 -4.603 1.00 0.00 N ATOM 170 CA HIS A 14 11.101 2.903 -5.097 1.00 0.00 C ATOM 171 C HIS A 14 12.034 2.336 -4.015 1.00 0.00 C ATOM 172 O HIS A 14 12.808 1.441 -4.331 1.00 0.00 O ATOM 173 CB HIS A 14 11.875 3.432 -6.322 1.00 0.00 C ATOM 174 CG HIS A 14 13.006 4.403 -6.069 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.092 5.695 -6.548 1.00 0.00 N ATOM 176 CD2 HIS A 14 14.209 4.108 -5.481 1.00 0.00 C ATOM 177 CE1 HIS A 14 14.302 6.175 -6.228 1.00 0.00 C ATOM 178 NE2 HIS A 14 15.022 5.242 -5.585 1.00 0.00 N ATOM 0 H HIS A 14 10.268 4.808 -4.996 1.00 0.00 H new ATOM 0 HA HIS A 14 10.509 2.050 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.282 2.575 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.160 3.915 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.480 3.169 -5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.649 7.172 -6.455 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.977 5.341 -5.239 1.00 0.00 H new ATOM 186 N GLU A 15 12.010 2.834 -2.773 1.00 0.00 N ATOM 187 CA GLU A 15 12.839 2.356 -1.659 1.00 0.00 C ATOM 188 C GLU A 15 11.997 1.721 -0.550 1.00 0.00 C ATOM 189 O GLU A 15 12.539 1.198 0.430 1.00 0.00 O ATOM 190 CB GLU A 15 13.639 3.518 -1.052 1.00 0.00 C ATOM 191 CG GLU A 15 15.025 3.648 -1.683 1.00 0.00 C ATOM 192 CD GLU A 15 15.942 4.527 -0.837 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.024 4.327 0.402 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.663 5.373 -1.407 1.00 0.00 O ATOM 0 H GLU A 15 11.395 3.603 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 15 13.511 1.601 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.089 4.449 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.742 3.365 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.469 2.659 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.933 4.072 -2.683 1.00 0.00 H new ATOM 201 N GLN A 16 10.671 1.792 -0.662 1.00 0.00 N ATOM 202 CA GLN A 16 9.806 1.237 0.356 1.00 0.00 C ATOM 203 C GLN A 16 9.818 -0.280 0.254 1.00 0.00 C ATOM 204 O GLN A 16 9.692 -0.834 -0.840 1.00 0.00 O ATOM 205 CB GLN A 16 8.389 1.788 0.217 1.00 0.00 C ATOM 206 CG GLN A 16 8.343 3.320 0.280 1.00 0.00 C ATOM 207 CD GLN A 16 8.787 3.944 1.604 1.00 0.00 C ATOM 208 OE1 GLN A 16 9.097 3.286 2.594 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.847 5.260 1.608 1.00 0.00 N ATOM 0 H GLN A 16 10.183 2.227 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 16 10.174 1.526 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.965 1.454 -0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.764 1.377 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.972 3.717 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.323 3.643 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.585 5.785 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.156 5.754 2.445 1.00 0.00 H new ATOM 218 N LEU A 17 9.915 -0.949 1.399 1.00 0.00 N ATOM 219 CA LEU A 17 9.936 -2.404 1.513 1.00 0.00 C ATOM 220 C LEU A 17 8.698 -3.057 0.911 1.00 0.00 C ATOM 221 O LEU A 17 8.794 -4.158 0.377 1.00 0.00 O ATOM 222 CB LEU A 17 10.197 -2.854 2.967 1.00 0.00 C ATOM 223 CG LEU A 17 9.243 -2.533 4.142 1.00 0.00 C ATOM 224 CD1 LEU A 17 8.888 -1.049 4.257 1.00 0.00 C ATOM 225 CD2 LEU A 17 7.974 -3.386 4.209 1.00 0.00 C ATOM 0 H LEU A 17 9.983 -0.479 2.302 1.00 0.00 H new ATOM 0 HA LEU A 17 10.776 -2.757 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.297 -3.939 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.171 -2.451 3.243 1.00 0.00 H new ATOM 0 HG LEU A 17 9.844 -2.810 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.216 -0.900 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.798 -0.468 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.397 -0.720 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.375 -3.081 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.395 -3.249 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.247 -4.436 4.312 1.00 0.00 H new ATOM 237 N TRP A 18 7.561 -2.361 0.953 1.00 0.00 N ATOM 238 CA TRP A 18 6.286 -2.826 0.434 1.00 0.00 C ATOM 239 C TRP A 18 6.133 -2.626 -1.068 1.00 0.00 C ATOM 240 O TRP A 18 5.098 -3.004 -1.625 1.00 0.00 O ATOM 241 CB TRP A 18 5.168 -2.105 1.186 1.00 0.00 C ATOM 242 CG TRP A 18 5.334 -0.635 1.444 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.648 -0.077 2.635 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.145 0.481 0.521 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.530 1.296 2.539 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.178 1.692 1.268 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.889 0.594 -0.861 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.906 2.936 0.680 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.651 1.841 -1.470 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.648 3.013 -0.698 1.00 0.00 C ATOM 0 H TRP A 18 7.507 -1.429 1.364 1.00 0.00 H new ATOM 0 HA TRP A 18 6.233 -3.903 0.594 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.243 -2.245 0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.037 -2.601 2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.944 -0.619 3.521 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.685 1.939 3.316 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.875 -0.299 -1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.895 3.831 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.470 1.896 -2.533 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.448 3.968 -1.161 1.00 0.00 H new ATOM 261 N TYR A 19 7.072 -1.966 -1.742 1.00 0.00 N ATOM 262 CA TYR A 19 6.979 -1.769 -3.173 1.00 0.00 C ATOM 263 C TYR A 19 7.668 -2.978 -3.782 1.00 0.00 C ATOM 264 O TYR A 19 8.883 -2.985 -3.985 1.00 0.00 O ATOM 265 CB TYR A 19 7.588 -0.430 -3.581 1.00 0.00 C ATOM 266 CG TYR A 19 7.650 -0.225 -5.085 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.488 -0.305 -5.880 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.882 0.071 -5.684 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.547 -0.022 -7.261 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.951 0.376 -7.052 1.00 0.00 C ATOM 271 CZ TYR A 19 7.785 0.360 -7.845 1.00 0.00 C ATOM 272 OH TYR A 19 7.905 0.772 -9.140 1.00 0.00 O ATOM 0 H TYR A 19 7.904 -1.561 -1.313 1.00 0.00 H new ATOM 0 HA TYR A 19 5.952 -1.708 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.004 0.376 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.595 -0.358 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.547 -0.585 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.783 0.064 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.658 -0.095 -7.870 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.902 0.624 -7.500 1.00 0.00 H new ATOM 0 HH TYR A 19 8.842 0.986 -9.330 1.00 0.00 H new ATOM 282 N HIS A 20 6.902 -4.043 -4.021 1.00 0.00 N ATOM 283 CA HIS A 20 7.460 -5.265 -4.596 1.00 0.00 C ATOM 284 C HIS A 20 7.808 -5.064 -6.075 1.00 0.00 C ATOM 285 O HIS A 20 8.649 -5.785 -6.608 1.00 0.00 O ATOM 286 CB HIS A 20 6.524 -6.452 -4.374 1.00 0.00 C ATOM 287 CG HIS A 20 6.489 -6.934 -2.942 1.00 0.00 C ATOM 288 ND1 HIS A 20 6.010 -6.251 -1.861 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 6.940 -8.149 -2.481 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 6.173 -7.043 -0.732 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 6.745 -8.179 -1.151 1.00 0.00 N flip ATOM 0 H HIS A 20 5.901 -4.084 -3.827 1.00 0.00 H new ATOM 0 HA HIS A 20 8.391 -5.496 -4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.516 -6.171 -4.679 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.835 -7.275 -5.018 1.00 0.00 H new ATOM 0 HD1 HIS A 20 5.601 -5.317 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.373 -8.937 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.894 -6.793 0.281 1.00 0.00 H new ATOM 299 N GLY A 21 7.165 -4.101 -6.744 1.00 0.00 N ATOM 300 CA GLY A 21 7.412 -3.761 -8.138 1.00 0.00 C ATOM 301 C GLY A 21 6.855 -4.726 -9.179 1.00 0.00 C ATOM 302 O GLY A 21 7.412 -5.795 -9.409 1.00 0.00 O ATOM 0 H GLY A 21 6.441 -3.525 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.992 -2.773 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.489 -3.684 -8.285 1.00 0.00 H new ATOM 306 N ALA A 22 5.723 -4.338 -9.784 1.00 0.00 N ATOM 307 CA ALA A 22 4.974 -5.030 -10.843 1.00 0.00 C ATOM 308 C ALA A 22 4.783 -6.553 -10.709 1.00 0.00 C ATOM 309 O ALA A 22 4.479 -7.214 -11.703 1.00 0.00 O ATOM 310 CB ALA A 22 5.610 -4.660 -12.190 1.00 0.00 C ATOM 0 H ALA A 22 5.271 -3.461 -9.524 1.00 0.00 H new ATOM 0 HA ALA A 22 3.947 -4.675 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.073 -5.161 -12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.556 -3.581 -12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.653 -4.975 -12.199 1.00 0.00 H new ATOM 316 N ILE A 23 4.918 -7.129 -9.518 1.00 0.00 N ATOM 317 CA ILE A 23 4.772 -8.563 -9.291 1.00 0.00 C ATOM 318 C ILE A 23 3.387 -9.094 -9.721 1.00 0.00 C ATOM 319 O ILE A 23 2.393 -8.351 -9.688 1.00 0.00 O ATOM 320 CB ILE A 23 5.085 -8.886 -7.819 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.154 -8.120 -6.854 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.565 -8.569 -7.527 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.184 -8.724 -5.458 1.00 0.00 C ATOM 0 H ILE A 23 5.135 -6.604 -8.671 1.00 0.00 H new ATOM 0 HA ILE A 23 5.491 -9.083 -9.924 1.00 0.00 H new ATOM 0 HB ILE A 23 4.906 -9.948 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.458 -7.074 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.134 -8.139 -7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.787 -8.798 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.201 -9.173 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.755 -7.512 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.518 -8.161 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.856 -9.762 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.200 -8.682 -5.065 1.00 0.00 H new ATOM 335 N PRO A 24 3.293 -10.374 -10.116 1.00 0.00 N ATOM 336 CA PRO A 24 2.043 -10.986 -10.539 1.00 0.00 C ATOM 337 C PRO A 24 1.177 -11.390 -9.341 1.00 0.00 C ATOM 338 O PRO A 24 1.649 -11.479 -8.203 1.00 0.00 O ATOM 339 CB PRO A 24 2.471 -12.225 -11.333 1.00 0.00 C ATOM 340 CG PRO A 24 3.719 -12.668 -10.588 1.00 0.00 C ATOM 341 CD PRO A 24 4.379 -11.344 -10.213 1.00 0.00 C ATOM 0 HA PRO A 24 1.436 -10.297 -11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.700 -12.996 -11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.682 -11.988 -12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.475 -13.262 -9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.368 -13.280 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.915 -11.428 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.107 -11.042 -10.966 1.00 0.00 H new ATOM 349 N ARG A 25 -0.094 -11.720 -9.610 1.00 0.00 N ATOM 350 CA ARG A 25 -1.038 -12.151 -8.567 1.00 0.00 C ATOM 351 C ARG A 25 -0.534 -13.392 -7.824 1.00 0.00 C ATOM 352 O ARG A 25 -0.901 -13.594 -6.664 1.00 0.00 O ATOM 353 CB ARG A 25 -2.432 -12.450 -9.160 1.00 0.00 C ATOM 354 CG ARG A 25 -2.440 -13.610 -10.167 1.00 0.00 C ATOM 355 CD ARG A 25 -3.840 -13.884 -10.707 1.00 0.00 C ATOM 356 NE ARG A 25 -3.775 -14.955 -11.712 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.750 -15.322 -12.544 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.956 -14.776 -12.431 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.511 -16.186 -13.516 1.00 0.00 N ATOM 0 H ARG A 25 -0.495 -11.697 -10.548 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.117 -11.325 -7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.120 -12.682 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.808 -11.552 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.771 -13.377 -10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.053 -14.509 -9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.505 -14.174 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.254 -12.979 -11.151 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.896 -15.469 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.134 -14.078 -11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.704 -15.055 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.576 -16.576 -13.633 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.262 -16.462 -14.149 1.00 0.00 H new ATOM 373 N ALA A 26 0.283 -14.192 -8.516 1.00 0.00 N ATOM 374 CA ALA A 26 0.891 -15.424 -8.062 1.00 0.00 C ATOM 375 C ALA A 26 1.769 -15.213 -6.838 1.00 0.00 C ATOM 376 O ALA A 26 1.838 -16.106 -6.011 1.00 0.00 O ATOM 377 CB ALA A 26 1.741 -15.991 -9.203 1.00 0.00 C ATOM 0 H ALA A 26 0.549 -13.970 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 26 0.097 -16.115 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.209 -16.921 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.107 -16.185 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.514 -15.271 -9.474 1.00 0.00 H new ATOM 383 N GLU A 27 2.441 -14.066 -6.727 1.00 0.00 N ATOM 384 CA GLU A 27 3.307 -13.781 -5.589 1.00 0.00 C ATOM 385 C GLU A 27 2.498 -13.110 -4.486 1.00 0.00 C ATOM 386 O GLU A 27 2.577 -13.515 -3.334 1.00 0.00 O ATOM 387 CB GLU A 27 4.460 -12.862 -6.017 1.00 0.00 C ATOM 388 CG GLU A 27 5.354 -13.450 -7.111 1.00 0.00 C ATOM 389 CD GLU A 27 6.108 -14.705 -6.677 1.00 0.00 C ATOM 390 OE1 GLU A 27 7.235 -14.579 -6.153 1.00 0.00 O ATOM 391 OE2 GLU A 27 5.660 -15.830 -7.003 1.00 0.00 O ATOM 0 H GLU A 27 2.399 -13.317 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 27 3.722 -14.718 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.046 -11.917 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.073 -12.635 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.741 -13.687 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.074 -12.694 -7.425 1.00 0.00 H new ATOM 398 N VAL A 28 1.686 -12.111 -4.847 1.00 0.00 N ATOM 399 CA VAL A 28 0.845 -11.323 -3.951 1.00 0.00 C ATOM 400 C VAL A 28 0.093 -12.174 -2.925 1.00 0.00 C ATOM 401 O VAL A 28 0.125 -11.853 -1.734 1.00 0.00 O ATOM 402 CB VAL A 28 -0.115 -10.476 -4.806 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.190 -9.757 -3.978 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.625 -9.433 -5.649 1.00 0.00 C ATOM 0 H VAL A 28 1.596 -11.819 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 28 1.487 -10.673 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.604 -11.197 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.833 -9.178 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.790 -10.493 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.711 -9.089 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.095 -8.861 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.176 -8.759 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.321 -9.935 -6.321 1.00 0.00 H new ATOM 414 N ALA A 29 -0.597 -13.221 -3.384 1.00 0.00 N ATOM 415 CA ALA A 29 -1.375 -14.108 -2.526 1.00 0.00 C ATOM 416 C ALA A 29 -0.527 -14.777 -1.439 1.00 0.00 C ATOM 417 O ALA A 29 -1.042 -15.119 -0.378 1.00 0.00 O ATOM 418 CB ALA A 29 -2.008 -15.189 -3.405 1.00 0.00 C ATOM 0 H ALA A 29 -0.629 -13.476 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.130 -13.508 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.596 -15.865 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.656 -14.722 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.224 -15.751 -3.912 1.00 0.00 H new ATOM 424 N GLU A 30 0.769 -14.944 -1.685 1.00 0.00 N ATOM 425 CA GLU A 30 1.700 -15.583 -0.774 1.00 0.00 C ATOM 426 C GLU A 30 2.425 -14.564 0.132 1.00 0.00 C ATOM 427 O GLU A 30 3.138 -14.971 1.054 1.00 0.00 O ATOM 428 CB GLU A 30 2.702 -16.440 -1.573 1.00 0.00 C ATOM 429 CG GLU A 30 2.224 -17.046 -2.912 1.00 0.00 C ATOM 430 CD GLU A 30 0.996 -17.969 -2.915 1.00 0.00 C ATOM 431 OE1 GLU A 30 0.355 -18.181 -1.861 1.00 0.00 O ATOM 432 OE2 GLU A 30 0.680 -18.539 -3.989 1.00 0.00 O ATOM 0 H GLU A 30 1.208 -14.628 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 30 1.131 -16.231 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.579 -15.826 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.028 -17.259 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.016 -16.220 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.058 -17.606 -3.336 1.00 0.00 H new ATOM 439 N LEU A 31 2.310 -13.249 -0.114 1.00 0.00 N ATOM 440 CA LEU A 31 2.963 -12.231 0.698 1.00 0.00 C ATOM 441 C LEU A 31 2.083 -11.902 1.893 1.00 0.00 C ATOM 442 O LEU A 31 2.565 -11.809 3.021 1.00 0.00 O ATOM 443 CB LEU A 31 3.167 -10.944 -0.117 1.00 0.00 C ATOM 444 CG LEU A 31 4.089 -11.080 -1.335 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.055 -9.765 -2.117 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.511 -11.465 -0.917 1.00 0.00 C ATOM 0 H LEU A 31 1.759 -12.870 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 31 3.930 -12.615 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.194 -10.590 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.573 -10.177 0.542 1.00 0.00 H new ATOM 0 HG LEU A 31 3.736 -11.886 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.706 -9.843 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.035 -9.562 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.400 -8.952 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.139 -11.553 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.917 -10.697 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.490 -12.419 -0.391 1.00 0.00 H new ATOM 458 N LEU A 32 0.797 -11.673 1.630 1.00 0.00 N ATOM 459 CA LEU A 32 -0.188 -11.328 2.638 1.00 0.00 C ATOM 460 C LEU A 32 -0.544 -12.586 3.421 1.00 0.00 C ATOM 461 O LEU A 32 -1.022 -13.547 2.813 1.00 0.00 O ATOM 462 CB LEU A 32 -1.428 -10.779 1.931 1.00 0.00 C ATOM 463 CG LEU A 32 -1.160 -9.571 1.008 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.054 -9.614 -0.232 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.376 -8.274 1.748 1.00 0.00 C ATOM 0 H LEU A 32 0.409 -11.725 0.688 1.00 0.00 H new ATOM 0 HA LEU A 32 0.202 -10.576 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.877 -11.578 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.161 -10.489 2.684 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.120 -9.628 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.843 -8.751 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.857 -10.529 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.100 -9.593 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.182 -7.436 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.406 -8.224 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.697 -8.223 2.599 1.00 0.00 H new ATOM 477 N VAL A 33 -0.350 -12.598 4.739 1.00 0.00 N ATOM 478 CA VAL A 33 -0.653 -13.763 5.562 1.00 0.00 C ATOM 479 C VAL A 33 -1.731 -13.472 6.593 1.00 0.00 C ATOM 480 O VAL A 33 -2.530 -14.371 6.862 1.00 0.00 O ATOM 481 CB VAL A 33 0.626 -14.328 6.212 1.00 0.00 C ATOM 482 CG1 VAL A 33 1.461 -15.066 5.162 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.506 -13.280 6.916 1.00 0.00 C ATOM 0 H VAL A 33 0.020 -11.804 5.262 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.057 -14.531 4.903 1.00 0.00 H new ATOM 0 HB VAL A 33 0.281 -15.007 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.363 -15.463 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.878 -15.886 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.738 -14.375 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.382 -13.768 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.825 -12.529 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.935 -12.800 7.710 1.00 0.00 H new ATOM 493 N HIS A 34 -1.809 -12.254 7.137 1.00 0.00 N ATOM 494 CA HIS A 34 -2.792 -11.873 8.149 1.00 0.00 C ATOM 495 C HIS A 34 -3.565 -10.619 7.732 1.00 0.00 C ATOM 496 O HIS A 34 -3.124 -9.848 6.876 1.00 0.00 O ATOM 497 CB HIS A 34 -2.071 -11.710 9.496 1.00 0.00 C ATOM 498 CG HIS A 34 -1.260 -12.923 9.915 1.00 0.00 C ATOM 499 ND1 HIS A 34 -0.017 -12.901 10.504 1.00 0.00 N ATOM 500 CD2 HIS A 34 -1.609 -14.238 9.762 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.381 -14.169 10.697 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.573 -15.023 10.281 1.00 0.00 N ATOM 0 H HIS A 34 -1.179 -11.494 6.880 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.543 -12.656 8.253 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.409 -10.846 9.440 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.810 -11.496 10.268 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.523 -14.605 9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.329 -14.461 11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.546 -16.041 10.334 1.00 0.00 H new ATOM 510 N SER A 35 -4.729 -10.396 8.345 1.00 0.00 N ATOM 511 CA SER A 35 -5.569 -9.245 8.034 1.00 0.00 C ATOM 512 C SER A 35 -4.800 -7.953 8.298 1.00 0.00 C ATOM 513 O SER A 35 -4.131 -7.827 9.330 1.00 0.00 O ATOM 514 CB SER A 35 -6.878 -9.273 8.829 1.00 0.00 C ATOM 515 OG SER A 35 -7.520 -10.523 8.667 1.00 0.00 O ATOM 0 H SER A 35 -5.112 -11.007 9.067 1.00 0.00 H new ATOM 0 HA SER A 35 -5.832 -9.290 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.675 -9.094 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.535 -8.472 8.491 1.00 0.00 H new ATOM 0 HG SER A 35 -8.355 -10.531 9.180 1.00 0.00 H new ATOM 521 N GLY A 36 -4.913 -6.989 7.388 1.00 0.00 N ATOM 522 CA GLY A 36 -4.256 -5.704 7.461 1.00 0.00 C ATOM 523 C GLY A 36 -2.899 -5.711 6.779 1.00 0.00 C ATOM 524 O GLY A 36 -2.312 -4.634 6.655 1.00 0.00 O ATOM 0 H GLY A 36 -5.488 -7.094 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.889 -4.948 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.133 -5.420 8.506 1.00 0.00 H new ATOM 528 N ASP A 37 -2.368 -6.872 6.385 1.00 0.00 N ATOM 529 CA ASP A 37 -1.087 -6.936 5.687 1.00 0.00 C ATOM 530 C ASP A 37 -1.318 -6.239 4.351 1.00 0.00 C ATOM 531 O ASP A 37 -2.424 -6.366 3.819 1.00 0.00 O ATOM 532 CB ASP A 37 -0.645 -8.385 5.409 1.00 0.00 C ATOM 533 CG ASP A 37 -0.178 -9.157 6.640 1.00 0.00 C ATOM 534 OD1 ASP A 37 -0.160 -8.607 7.768 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.201 -10.338 6.484 1.00 0.00 O ATOM 0 H ASP A 37 -2.808 -7.779 6.539 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.308 -6.474 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.476 -8.923 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.164 -8.370 4.678 1.00 0.00 H new ATOM 540 N PHE A 38 -0.343 -5.524 3.776 1.00 0.00 N ATOM 541 CA PHE A 38 -0.498 -4.856 2.498 1.00 0.00 C ATOM 542 C PHE A 38 0.832 -4.625 1.787 1.00 0.00 C ATOM 543 O PHE A 38 1.888 -4.625 2.423 1.00 0.00 O ATOM 544 CB PHE A 38 -1.168 -3.501 2.720 1.00 0.00 C ATOM 545 CG PHE A 38 -0.238 -2.385 3.156 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.490 -2.434 4.354 1.00 0.00 C ATOM 547 CD2 PHE A 38 -0.138 -1.256 2.351 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.186 -1.300 4.815 1.00 0.00 C ATOM 549 CE2 PHE A 38 0.599 -0.140 2.771 1.00 0.00 C ATOM 550 CZ PHE A 38 1.269 -0.163 4.005 1.00 0.00 C ATOM 0 H PHE A 38 0.578 -5.398 4.195 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.105 -5.506 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.661 -3.201 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.947 -3.618 3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.517 -3.349 4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.634 -1.239 1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.653 -1.308 5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.652 0.738 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.845 0.692 4.327 1.00 0.00 H new ATOM 560 N LEU A 39 0.754 -4.380 0.474 1.00 0.00 N ATOM 561 CA LEU A 39 1.881 -4.111 -0.416 1.00 0.00 C ATOM 562 C LEU A 39 1.424 -3.358 -1.665 1.00 0.00 C ATOM 563 O LEU A 39 0.222 -3.287 -1.949 1.00 0.00 O ATOM 564 CB LEU A 39 2.619 -5.414 -0.783 1.00 0.00 C ATOM 565 CG LEU A 39 1.990 -6.436 -1.755 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.504 -6.689 -1.549 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.276 -6.123 -3.228 1.00 0.00 C ATOM 0 H LEU A 39 -0.140 -4.364 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 39 2.586 -3.472 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.584 -5.128 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.819 -5.941 0.150 1.00 0.00 H new ATOM 0 HG LEU A 39 2.498 -7.365 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.155 -7.420 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.336 -7.072 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.045 -5.756 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.807 -6.878 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.873 -5.141 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.353 -6.126 -3.398 1.00 0.00 H new ATOM 579 N VAL A 40 2.376 -2.836 -2.445 1.00 0.00 N ATOM 580 CA VAL A 40 2.127 -2.100 -3.678 1.00 0.00 C ATOM 581 C VAL A 40 2.850 -2.762 -4.841 1.00 0.00 C ATOM 582 O VAL A 40 4.015 -3.162 -4.751 1.00 0.00 O ATOM 583 CB VAL A 40 2.519 -0.612 -3.555 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.476 0.160 -4.887 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.549 0.102 -2.617 1.00 0.00 C ATOM 0 H VAL A 40 3.369 -2.919 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 40 1.054 -2.128 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 40 3.545 -0.618 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.764 1.197 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.168 -0.297 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.466 0.127 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.830 1.152 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.537 0.028 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.587 -0.363 -1.632 1.00 0.00 H new ATOM 595 N ARG A 41 2.129 -2.872 -5.954 1.00 0.00 N ATOM 596 CA ARG A 41 2.606 -3.424 -7.210 1.00 0.00 C ATOM 597 C ARG A 41 2.090 -2.488 -8.297 1.00 0.00 C ATOM 598 O ARG A 41 1.304 -1.583 -8.012 1.00 0.00 O ATOM 599 CB ARG A 41 2.124 -4.876 -7.387 1.00 0.00 C ATOM 600 CG ARG A 41 0.607 -4.985 -7.607 1.00 0.00 C ATOM 601 CD ARG A 41 0.163 -6.451 -7.659 1.00 0.00 C ATOM 602 NE ARG A 41 -1.303 -6.608 -7.731 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.101 -6.274 -8.755 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.618 -5.672 -9.839 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.398 -6.538 -8.667 1.00 0.00 N ATOM 0 H ARG A 41 1.157 -2.565 -6.003 1.00 0.00 H new ATOM 0 HA ARG A 41 3.694 -3.481 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.641 -5.323 -8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.400 -5.454 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.081 -4.471 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.334 -4.486 -8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.617 -6.932 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.535 -6.969 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.758 -7.014 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.623 -5.456 -9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.243 -5.426 -10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.771 -6.987 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.022 -6.292 -9.435 1.00 0.00 H new ATOM 619 N GLU A 42 2.563 -2.669 -9.517 1.00 0.00 N ATOM 620 CA GLU A 42 2.158 -1.893 -10.679 1.00 0.00 C ATOM 621 C GLU A 42 1.386 -2.863 -11.577 1.00 0.00 C ATOM 622 O GLU A 42 1.554 -4.085 -11.463 1.00 0.00 O ATOM 623 CB GLU A 42 3.410 -1.298 -11.349 1.00 0.00 C ATOM 624 CG GLU A 42 3.090 -0.452 -12.590 1.00 0.00 C ATOM 625 CD GLU A 42 4.341 0.196 -13.187 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.094 -0.501 -13.906 1.00 0.00 O ATOM 627 OE2 GLU A 42 4.571 1.406 -12.942 1.00 0.00 O ATOM 0 H GLU A 42 3.260 -3.381 -9.735 1.00 0.00 H new ATOM 0 HA GLU A 42 1.519 -1.044 -10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.943 -0.682 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.081 -2.108 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.614 -1.080 -13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.373 0.324 -12.323 1.00 0.00 H new ATOM 634 N SER A 43 0.498 -2.338 -12.412 1.00 0.00 N ATOM 635 CA SER A 43 -0.280 -3.131 -13.336 1.00 0.00 C ATOM 636 C SER A 43 0.622 -3.612 -14.472 1.00 0.00 C ATOM 637 O SER A 43 1.506 -2.894 -14.934 1.00 0.00 O ATOM 638 CB SER A 43 -1.405 -2.271 -13.918 1.00 0.00 C ATOM 639 OG SER A 43 -2.604 -2.429 -13.191 1.00 0.00 O ATOM 0 H SER A 43 0.301 -1.338 -12.462 1.00 0.00 H new ATOM 0 HA SER A 43 -0.704 -3.989 -12.814 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.106 -1.223 -13.907 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.571 -2.544 -14.960 1.00 0.00 H new ATOM 0 HG SER A 43 -3.302 -1.866 -13.586 1.00 0.00 H new ATOM 645 N GLN A 44 0.388 -4.839 -14.937 1.00 0.00 N ATOM 646 CA GLN A 44 1.167 -5.387 -16.039 1.00 0.00 C ATOM 647 C GLN A 44 0.974 -4.492 -17.271 1.00 0.00 C ATOM 648 O GLN A 44 -0.163 -4.188 -17.655 1.00 0.00 O ATOM 649 CB GLN A 44 0.977 -6.884 -16.279 1.00 0.00 C ATOM 650 CG GLN A 44 -0.488 -7.122 -16.495 1.00 0.00 C ATOM 651 CD GLN A 44 -0.833 -8.564 -16.821 1.00 0.00 C ATOM 652 OE1 GLN A 44 -1.057 -9.382 -15.929 1.00 0.00 O ATOM 653 NE2 GLN A 44 -0.868 -8.894 -18.096 1.00 0.00 N ATOM 0 H GLN A 44 -0.329 -5.465 -14.570 1.00 0.00 H new ATOM 0 HA GLN A 44 2.222 -5.360 -15.766 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.551 -7.209 -17.147 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.337 -7.458 -15.425 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.031 -6.822 -15.599 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.835 -6.483 -17.307 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.677 -8.191 -18.810 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.086 -9.852 -18.369 1.00 0.00 H new ATOM 662 N GLY A 45 2.078 -4.017 -17.842 1.00 0.00 N ATOM 663 CA GLY A 45 2.080 -3.166 -19.016 1.00 0.00 C ATOM 664 C GLY A 45 1.346 -1.830 -18.872 1.00 0.00 C ATOM 665 O GLY A 45 1.075 -1.224 -19.914 1.00 0.00 O ATOM 0 H GLY A 45 3.013 -4.221 -17.489 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.115 -2.963 -19.292 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.632 -3.718 -19.842 1.00 0.00 H new ATOM 669 N LYS A 46 1.014 -1.347 -17.666 1.00 0.00 N ATOM 670 CA LYS A 46 0.302 -0.085 -17.473 1.00 0.00 C ATOM 671 C LYS A 46 0.791 0.601 -16.202 1.00 0.00 C ATOM 672 O LYS A 46 0.827 -0.023 -15.145 1.00 0.00 O ATOM 673 CB LYS A 46 -1.212 -0.385 -17.385 1.00 0.00 C ATOM 674 CG LYS A 46 -2.095 0.833 -17.057 1.00 0.00 C ATOM 675 CD LYS A 46 -2.155 1.827 -18.222 1.00 0.00 C ATOM 676 CE LYS A 46 -2.833 3.151 -17.838 1.00 0.00 C ATOM 677 NZ LYS A 46 -2.007 4.001 -16.947 1.00 0.00 N ATOM 0 H LYS A 46 1.236 -1.828 -16.794 1.00 0.00 H new ATOM 0 HA LYS A 46 0.492 0.586 -18.311 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.540 -0.808 -18.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.373 -1.148 -16.623 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.103 0.496 -16.815 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.706 1.335 -16.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.143 2.030 -18.573 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.696 1.374 -19.053 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.065 3.708 -18.746 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.781 2.935 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.555 4.837 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.735 3.458 -16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.151 4.306 -17.453 1.00 0.00 H new ATOM 691 N GLN A 47 1.138 1.886 -16.296 1.00 0.00 N ATOM 692 CA GLN A 47 1.594 2.676 -15.164 1.00 0.00 C ATOM 693 C GLN A 47 0.356 2.964 -14.316 1.00 0.00 C ATOM 694 O GLN A 47 -0.406 3.893 -14.600 1.00 0.00 O ATOM 695 CB GLN A 47 2.302 3.945 -15.674 1.00 0.00 C ATOM 696 CG GLN A 47 2.938 4.865 -14.617 1.00 0.00 C ATOM 697 CD GLN A 47 1.909 5.738 -13.898 1.00 0.00 C ATOM 698 OE1 GLN A 47 1.351 6.671 -14.474 1.00 0.00 O ATOM 699 NE2 GLN A 47 1.604 5.445 -12.646 1.00 0.00 N ATOM 0 H GLN A 47 1.108 2.408 -17.172 1.00 0.00 H new ATOM 0 HA GLN A 47 2.329 2.157 -14.550 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.083 3.640 -16.371 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.579 4.531 -16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.468 4.257 -13.884 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.679 5.504 -15.097 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.071 4.670 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.902 5.994 -12.150 1.00 0.00 H new ATOM 708 N GLU A 48 0.088 2.114 -13.334 1.00 0.00 N ATOM 709 CA GLU A 48 -1.020 2.238 -12.414 1.00 0.00 C ATOM 710 C GLU A 48 -0.703 1.352 -11.221 1.00 0.00 C ATOM 711 O GLU A 48 -0.564 0.136 -11.376 1.00 0.00 O ATOM 712 CB GLU A 48 -2.357 1.836 -13.066 1.00 0.00 C ATOM 713 CG GLU A 48 -3.561 2.189 -12.177 1.00 0.00 C ATOM 714 CD GLU A 48 -3.838 3.692 -12.160 1.00 0.00 C ATOM 715 OE1 GLU A 48 -3.030 4.473 -11.615 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.848 4.115 -12.775 1.00 0.00 O ATOM 0 H GLU A 48 0.662 1.290 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.140 3.277 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.457 2.339 -14.028 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.355 0.764 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.444 1.661 -12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.375 1.843 -11.160 1.00 0.00 H new ATOM 723 N TYR A 49 -0.508 1.950 -10.049 1.00 0.00 N ATOM 724 CA TYR A 49 -0.217 1.194 -8.850 1.00 0.00 C ATOM 725 C TYR A 49 -1.499 0.552 -8.315 1.00 0.00 C ATOM 726 O TYR A 49 -2.625 0.967 -8.612 1.00 0.00 O ATOM 727 CB TYR A 49 0.474 2.082 -7.807 1.00 0.00 C ATOM 728 CG TYR A 49 1.847 2.585 -8.204 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.829 1.675 -8.640 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.157 3.956 -8.110 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.094 2.135 -9.031 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.432 4.421 -8.474 1.00 0.00 C ATOM 733 CZ TYR A 49 4.398 3.512 -8.955 1.00 0.00 C ATOM 734 OH TYR A 49 5.598 3.971 -9.393 1.00 0.00 O ATOM 0 H TYR A 49 -0.548 2.960 -9.911 1.00 0.00 H new ATOM 0 HA TYR A 49 0.478 0.389 -9.087 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.166 2.940 -7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.564 1.521 -6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.607 0.619 -8.673 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.411 4.653 -7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.836 1.437 -9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.672 5.470 -8.386 1.00 0.00 H new ATOM 0 HH TYR A 49 5.642 4.942 -9.269 1.00 0.00 H new ATOM 744 N VAL A 50 -1.317 -0.467 -7.482 1.00 0.00 N ATOM 745 CA VAL A 50 -2.381 -1.225 -6.857 1.00 0.00 C ATOM 746 C VAL A 50 -1.988 -1.470 -5.409 1.00 0.00 C ATOM 747 O VAL A 50 -0.843 -1.847 -5.154 1.00 0.00 O ATOM 748 CB VAL A 50 -2.557 -2.562 -7.607 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.589 -3.432 -6.882 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.972 -2.355 -9.067 1.00 0.00 C ATOM 0 H VAL A 50 -0.388 -0.795 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.326 -0.683 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.591 -3.067 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.709 -4.375 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.248 -3.631 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.545 -2.910 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.084 -3.324 -9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.920 -1.819 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.207 -1.775 -9.584 1.00 0.00 H new ATOM 760 N LEU A 51 -2.933 -1.297 -4.485 1.00 0.00 N ATOM 761 CA LEU A 51 -2.766 -1.500 -3.053 1.00 0.00 C ATOM 762 C LEU A 51 -3.521 -2.792 -2.744 1.00 0.00 C ATOM 763 O LEU A 51 -4.751 -2.822 -2.796 1.00 0.00 O ATOM 764 CB LEU A 51 -3.342 -0.291 -2.293 1.00 0.00 C ATOM 765 CG LEU A 51 -2.822 -0.090 -0.856 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.306 0.100 -0.814 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.455 1.167 -0.241 1.00 0.00 C ATOM 0 H LEU A 51 -3.877 -0.998 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.723 -1.584 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.126 0.611 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.427 -0.393 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.090 -0.988 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.985 0.238 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.817 -0.780 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.033 0.978 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.083 1.302 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.193 2.038 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.539 1.054 -0.218 1.00 0.00 H new ATOM 779 N SER A 52 -2.816 -3.904 -2.556 1.00 0.00 N ATOM 780 CA SER A 52 -3.418 -5.186 -2.265 1.00 0.00 C ATOM 781 C SER A 52 -3.171 -5.414 -0.789 1.00 0.00 C ATOM 782 O SER A 52 -2.028 -5.347 -0.339 1.00 0.00 O ATOM 783 CB SER A 52 -2.838 -6.294 -3.157 1.00 0.00 C ATOM 784 OG SER A 52 -3.472 -7.528 -2.887 1.00 0.00 O ATOM 0 H SER A 52 -1.798 -3.932 -2.604 1.00 0.00 H new ATOM 0 HA SER A 52 -4.486 -5.202 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.971 -6.032 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.765 -6.384 -2.985 1.00 0.00 H new ATOM 0 HG SER A 52 -3.933 -7.842 -3.693 1.00 0.00 H new ATOM 790 N VAL A 53 -4.239 -5.627 -0.037 1.00 0.00 N ATOM 791 CA VAL A 53 -4.178 -5.899 1.394 1.00 0.00 C ATOM 792 C VAL A 53 -4.999 -7.174 1.637 1.00 0.00 C ATOM 793 O VAL A 53 -5.700 -7.619 0.731 1.00 0.00 O ATOM 794 CB VAL A 53 -4.588 -4.665 2.247 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.690 -3.346 1.478 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.863 -4.831 3.028 1.00 0.00 C ATOM 0 H VAL A 53 -5.189 -5.616 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.157 -6.081 1.728 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.745 -4.611 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.981 -2.548 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.724 -3.108 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.438 -3.441 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.066 -3.920 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.687 -5.025 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.761 -5.668 3.718 1.00 0.00 H new ATOM 806 N LEU A 54 -4.926 -7.791 2.812 1.00 0.00 N ATOM 807 CA LEU A 54 -5.692 -8.990 3.147 1.00 0.00 C ATOM 808 C LEU A 54 -6.686 -8.608 4.230 1.00 0.00 C ATOM 809 O LEU A 54 -6.342 -7.872 5.155 1.00 0.00 O ATOM 810 CB LEU A 54 -4.737 -10.112 3.559 1.00 0.00 C ATOM 811 CG LEU A 54 -5.386 -11.348 4.208 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.358 -12.066 3.269 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.286 -12.334 4.593 1.00 0.00 C ATOM 0 H LEU A 54 -4.325 -7.469 3.570 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.251 -9.373 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.188 -10.437 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.006 -9.702 4.256 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.948 -11.002 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.786 -12.929 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.157 -11.383 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.825 -12.398 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.732 -13.215 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.735 -12.631 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.604 -11.861 5.299 1.00 0.00 H new ATOM 825 N TRP A 55 -7.930 -9.067 4.113 1.00 0.00 N ATOM 826 CA TRP A 55 -8.969 -8.785 5.084 1.00 0.00 C ATOM 827 C TRP A 55 -10.024 -9.870 4.982 1.00 0.00 C ATOM 828 O TRP A 55 -10.286 -10.345 3.879 1.00 0.00 O ATOM 829 CB TRP A 55 -9.599 -7.433 4.768 1.00 0.00 C ATOM 830 CG TRP A 55 -10.357 -6.846 5.907 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.687 -6.951 6.108 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.833 -6.088 7.033 1.00 0.00 C ATOM 833 NE1 TRP A 55 -12.030 -6.288 7.267 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.925 -5.726 7.877 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.544 -5.660 7.416 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.743 -4.961 9.038 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.348 -4.917 8.593 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.443 -4.566 9.398 1.00 0.00 C ATOM 0 H TRP A 55 -8.241 -9.648 3.335 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.551 -8.760 6.090 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.815 -6.738 4.468 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.269 -7.545 3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.376 -7.474 5.461 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.981 -6.221 7.629 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.695 -5.907 6.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.589 -4.679 9.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.351 -4.615 8.879 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.286 -3.990 10.298 1.00 0.00 H new ATOM 849 N ASP A 56 -10.648 -10.246 6.103 1.00 0.00 N ATOM 850 CA ASP A 56 -11.689 -11.283 6.182 1.00 0.00 C ATOM 851 C ASP A 56 -11.235 -12.654 5.635 1.00 0.00 C ATOM 852 O ASP A 56 -12.031 -13.590 5.630 1.00 0.00 O ATOM 853 CB ASP A 56 -12.974 -10.806 5.461 1.00 0.00 C ATOM 854 CG ASP A 56 -14.022 -10.151 6.351 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.513 -10.786 7.311 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.480 -9.035 5.996 1.00 0.00 O ATOM 0 H ASP A 56 -10.438 -9.826 7.009 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.897 -11.435 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.691 -10.098 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.429 -11.662 4.963 1.00 0.00 H new ATOM 861 N GLY A 57 -9.983 -12.804 5.188 1.00 0.00 N ATOM 862 CA GLY A 57 -9.415 -14.017 4.620 1.00 0.00 C ATOM 863 C GLY A 57 -9.295 -13.949 3.090 1.00 0.00 C ATOM 864 O GLY A 57 -8.881 -14.939 2.488 1.00 0.00 O ATOM 0 H GLY A 57 -9.309 -12.039 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.429 -14.189 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.037 -14.869 4.895 1.00 0.00 H new ATOM 868 N LEU A 58 -9.611 -12.810 2.457 1.00 0.00 N ATOM 869 CA LEU A 58 -9.572 -12.578 1.009 1.00 0.00 C ATOM 870 C LEU A 58 -8.668 -11.369 0.697 1.00 0.00 C ATOM 871 O LEU A 58 -8.876 -10.309 1.293 1.00 0.00 O ATOM 872 CB LEU A 58 -11.033 -12.323 0.573 1.00 0.00 C ATOM 873 CG LEU A 58 -11.369 -12.243 -0.932 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.632 -11.141 -1.695 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.183 -13.582 -1.648 1.00 0.00 C ATOM 0 H LEU A 58 -9.917 -11.983 2.970 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.158 -13.429 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.646 -13.114 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.353 -11.387 1.030 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.426 -11.977 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.931 -11.162 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.882 -10.171 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.557 -11.304 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.433 -13.468 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.146 -13.904 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.837 -14.329 -1.199 1.00 0.00 H new ATOM 887 N PRO A 59 -7.673 -11.458 -0.210 1.00 0.00 N ATOM 888 CA PRO A 59 -6.814 -10.325 -0.541 1.00 0.00 C ATOM 889 C PRO A 59 -7.601 -9.240 -1.297 1.00 0.00 C ATOM 890 O PRO A 59 -7.900 -9.362 -2.489 1.00 0.00 O ATOM 891 CB PRO A 59 -5.643 -10.887 -1.345 1.00 0.00 C ATOM 892 CG PRO A 59 -6.249 -12.112 -2.013 1.00 0.00 C ATOM 893 CD PRO A 59 -7.270 -12.621 -0.990 1.00 0.00 C ATOM 0 HA PRO A 59 -6.437 -9.829 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.273 -10.169 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.802 -11.151 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.725 -11.857 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.491 -12.865 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.128 -13.073 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.832 -13.387 -0.350 1.00 0.00 H new ATOM 901 N ARG A 60 -8.020 -8.191 -0.588 1.00 0.00 N ATOM 902 CA ARG A 60 -8.757 -7.067 -1.130 1.00 0.00 C ATOM 903 C ARG A 60 -7.815 -6.166 -1.913 1.00 0.00 C ATOM 904 O ARG A 60 -6.934 -5.524 -1.336 1.00 0.00 O ATOM 905 CB ARG A 60 -9.446 -6.278 -0.027 1.00 0.00 C ATOM 906 CG ARG A 60 -10.429 -7.099 0.815 1.00 0.00 C ATOM 907 CD ARG A 60 -11.619 -7.676 0.032 1.00 0.00 C ATOM 908 NE ARG A 60 -12.513 -6.636 -0.510 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.053 -6.612 -1.738 1.00 0.00 C ATOM 910 NH1 ARG A 60 -12.692 -7.454 -2.706 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.997 -5.726 -2.020 1.00 0.00 N ATOM 0 H ARG A 60 -7.846 -8.105 0.413 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.529 -7.451 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.686 -5.856 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.981 -5.440 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.887 -7.921 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.811 -6.470 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.244 -8.288 -0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.191 -8.334 0.685 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.743 -5.859 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.975 -8.157 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.133 -7.395 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.309 -5.068 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.412 -5.702 -2.951 1.00 0.00 H new ATOM 925 N HIS A 61 -7.979 -6.132 -3.229 1.00 0.00 N ATOM 926 CA HIS A 61 -7.173 -5.304 -4.100 1.00 0.00 C ATOM 927 C HIS A 61 -7.918 -3.986 -4.285 1.00 0.00 C ATOM 928 O HIS A 61 -9.128 -3.987 -4.532 1.00 0.00 O ATOM 929 CB HIS A 61 -6.968 -5.967 -5.465 1.00 0.00 C ATOM 930 CG HIS A 61 -6.543 -7.410 -5.468 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.442 -7.961 -4.858 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.116 -8.386 -6.230 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.345 -9.236 -5.260 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.341 -9.544 -6.114 1.00 0.00 N ATOM 0 H HIS A 61 -8.682 -6.684 -3.720 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.189 -5.152 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.901 -5.888 -6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.220 -5.393 -6.011 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.014 -8.282 -6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.574 -9.923 -4.943 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.497 -10.438 -6.580 1.00 0.00 H new ATOM 942 N PHE A 62 -7.204 -2.871 -4.232 1.00 0.00 N ATOM 943 CA PHE A 62 -7.736 -1.534 -4.401 1.00 0.00 C ATOM 944 C PHE A 62 -6.918 -0.807 -5.468 1.00 0.00 C ATOM 945 O PHE A 62 -5.685 -0.817 -5.419 1.00 0.00 O ATOM 946 CB PHE A 62 -7.673 -0.819 -3.052 1.00 0.00 C ATOM 947 CG PHE A 62 -8.602 -1.400 -2.003 1.00 0.00 C ATOM 948 CD1 PHE A 62 -8.198 -2.442 -1.132 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.908 -0.883 -1.921 1.00 0.00 C ATOM 950 CE1 PHE A 62 -9.093 -2.897 -0.149 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.816 -1.401 -0.983 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.403 -2.393 -0.079 1.00 0.00 C ATOM 0 H PHE A 62 -6.198 -2.877 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.774 -1.557 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.650 -0.859 -2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.919 0.233 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.215 -2.881 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.213 -0.085 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.770 -3.643 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.832 -1.036 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.089 -2.767 0.667 1.00 0.00 H new ATOM 962 N ILE A 63 -7.586 -0.250 -6.484 1.00 0.00 N ATOM 963 CA ILE A 63 -6.920 0.495 -7.550 1.00 0.00 C ATOM 964 C ILE A 63 -6.596 1.853 -6.949 1.00 0.00 C ATOM 965 O ILE A 63 -7.486 2.527 -6.430 1.00 0.00 O ATOM 966 CB ILE A 63 -7.803 0.698 -8.799 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.400 -0.609 -9.347 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.009 1.424 -9.908 1.00 0.00 C ATOM 969 CD1 ILE A 63 -7.381 -1.555 -9.982 1.00 0.00 C ATOM 0 H ILE A 63 -8.599 -0.304 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.044 -0.059 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.644 1.314 -8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.905 -1.132 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.160 -0.363 -10.089 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.646 1.560 -10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.682 2.398 -9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.139 0.828 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.890 -2.450 -10.341 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.893 -1.055 -10.818 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.633 -1.835 -9.240 1.00 0.00 H new ATOM 981 N ILE A 64 -5.333 2.247 -7.005 1.00 0.00 N ATOM 982 CA ILE A 64 -4.913 3.531 -6.468 1.00 0.00 C ATOM 983 C ILE A 64 -5.432 4.607 -7.426 1.00 0.00 C ATOM 984 O ILE A 64 -4.933 4.727 -8.543 1.00 0.00 O ATOM 985 CB ILE A 64 -3.381 3.533 -6.266 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.057 2.570 -5.095 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.797 4.933 -5.983 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.570 2.270 -4.905 1.00 0.00 C ATOM 0 H ILE A 64 -4.581 1.695 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.328 3.736 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.916 3.205 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.448 2.998 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.585 1.631 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.718 4.857 -5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.015 5.595 -6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.245 5.337 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.441 1.589 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.173 1.809 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.034 3.198 -4.706 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.487 5.332 -7.049 1.00 0.00 N ATOM 1001 CA GLN A 65 -7.040 6.410 -7.864 1.00 0.00 C ATOM 1002 C GLN A 65 -6.165 7.656 -7.660 1.00 0.00 C ATOM 1003 O GLN A 65 -5.478 7.786 -6.636 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.514 6.673 -7.503 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.453 5.493 -7.804 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.468 5.124 -9.287 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -8.560 4.267 -9.714 1.00 0.00 O flip ATOM 1008 NE2 GLN A 65 -10.268 5.628 -10.071 1.00 0.00 N flip ATOM 0 H GLN A 65 -6.981 5.186 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.030 6.133 -8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.580 6.915 -6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.861 7.549 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.142 4.627 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.464 5.746 -7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.966 6.290 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.234 5.385 -11.061 1.00 0.00 H new ATOM 1017 N SER A 66 -6.235 8.591 -8.606 1.00 0.00 N ATOM 1018 CA SER A 66 -5.470 9.829 -8.615 1.00 0.00 C ATOM 1019 C SER A 66 -6.340 10.997 -9.098 1.00 0.00 C ATOM 1020 O SER A 66 -7.031 10.886 -10.114 1.00 0.00 O ATOM 1021 CB SER A 66 -4.257 9.588 -9.529 1.00 0.00 C ATOM 1022 OG SER A 66 -4.676 9.208 -10.827 1.00 0.00 O ATOM 0 H SER A 66 -6.849 8.500 -9.415 1.00 0.00 H new ATOM 0 HA SER A 66 -5.133 10.102 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.653 10.494 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.624 8.810 -9.103 1.00 0.00 H new ATOM 0 HG SER A 66 -5.588 9.530 -10.983 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.349 12.117 -8.373 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.113 13.314 -8.715 1.00 0.00 C ATOM 1030 C LEU A 67 -6.415 14.507 -8.067 1.00 0.00 C ATOM 1031 O LEU A 67 -5.914 14.370 -6.951 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.548 13.168 -8.171 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.655 14.008 -8.843 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -11.011 13.458 -8.393 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.626 15.503 -8.499 1.00 0.00 C ATOM 0 H LEU A 67 -5.812 12.217 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.166 13.456 -9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.831 12.118 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.533 13.419 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.486 13.928 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -11.810 14.037 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.098 12.414 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.091 13.531 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.440 16.011 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.744 15.631 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.674 15.930 -8.813 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.376 15.657 -8.741 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.777 16.913 -8.254 1.00 0.00 C ATOM 1049 C ASP A 68 -4.273 16.820 -7.948 1.00 0.00 C ATOM 1050 O ASP A 68 -3.722 17.679 -7.264 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.593 17.421 -7.046 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.291 18.867 -6.657 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.282 19.736 -7.562 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.210 19.152 -5.440 1.00 0.00 O ATOM 0 H ASP A 68 -6.774 15.749 -9.676 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.831 17.639 -9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.655 17.331 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.395 16.776 -6.190 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.583 15.816 -8.506 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.152 15.531 -8.322 1.00 0.00 C ATOM 1061 C ASN A 69 -1.922 14.916 -6.927 1.00 0.00 C ATOM 1062 O ASN A 69 -0.870 15.077 -6.307 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.245 16.731 -8.659 1.00 0.00 C ATOM 1064 CG ASN A 69 0.133 16.300 -9.161 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.472 16.634 -10.390 1.00 0.00 O flip ATOM 1066 ND2 ASN A 69 0.921 15.655 -8.472 1.00 0.00 N flip ATOM 0 H ASN A 69 -4.031 15.145 -9.131 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.845 14.783 -9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.729 17.346 -9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.127 17.353 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.668 15.392 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.827 15.383 -8.853 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.948 14.258 -6.373 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.946 13.582 -5.079 1.00 0.00 C ATOM 1075 C LEU A 70 -3.493 12.171 -5.283 1.00 0.00 C ATOM 1076 O LEU A 70 -4.345 11.962 -6.155 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.842 14.299 -4.043 1.00 0.00 C ATOM 1078 CG LEU A 70 -3.217 15.533 -3.374 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -3.295 16.779 -4.249 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.907 15.878 -2.061 1.00 0.00 C ATOM 0 H LEU A 70 -3.849 14.182 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.925 13.579 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.766 14.602 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.114 13.584 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.176 15.258 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.839 17.620 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.763 16.601 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.339 17.008 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.434 16.756 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.960 16.088 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.821 15.037 -1.373 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.070 11.211 -4.462 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.541 9.827 -4.530 1.00 0.00 C ATOM 1094 C TYR A 71 -4.455 9.593 -3.331 1.00 0.00 C ATOM 1095 O TYR A 71 -4.141 10.086 -2.244 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.361 8.856 -4.489 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.367 9.028 -5.617 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.637 8.495 -6.891 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.146 9.681 -5.371 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.678 8.595 -7.915 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.820 9.784 -6.385 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.558 9.238 -7.666 1.00 0.00 C ATOM 1103 OH TYR A 71 1.486 9.317 -8.664 1.00 0.00 O ATOM 0 H TYR A 71 -2.385 11.373 -3.724 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.078 9.656 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.839 8.978 -3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.745 7.836 -4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.582 8.008 -7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.050 10.105 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.885 8.181 -8.891 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.760 10.278 -6.189 1.00 0.00 H new ATOM 0 HH TYR A 71 2.280 9.789 -8.336 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.596 8.920 -3.528 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.562 8.618 -2.464 1.00 0.00 C ATOM 1115 C ARG A 72 -7.566 7.549 -2.894 1.00 0.00 C ATOM 1116 O ARG A 72 -7.600 7.176 -4.066 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.331 9.888 -2.039 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.513 10.277 -2.946 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.203 11.529 -2.411 1.00 0.00 C ATOM 1120 NE ARG A 72 -8.346 12.710 -2.566 1.00 0.00 N ATOM 1121 CZ ARG A 72 -8.351 13.775 -1.766 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.308 13.946 -0.862 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -7.373 14.663 -1.879 1.00 0.00 N ATOM 0 H ARG A 72 -5.878 8.566 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.987 8.238 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.705 9.744 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.631 10.722 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.158 10.455 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.226 9.455 -2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.142 11.685 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.450 11.390 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.694 12.716 -3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.054 13.256 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.297 14.767 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.635 14.524 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.359 15.485 -1.276 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.410 7.114 -1.962 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.471 6.128 -2.160 1.00 0.00 C ATOM 1139 C LEU A 73 -10.764 6.618 -1.514 1.00 0.00 C ATOM 1140 O LEU A 73 -11.843 6.301 -2.016 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.091 4.753 -1.576 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.347 3.853 -2.581 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -7.614 2.731 -1.845 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -9.317 3.238 -3.597 1.00 0.00 C ATOM 0 H LEU A 73 -8.371 7.455 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.614 6.009 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.465 4.899 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.995 4.244 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.628 4.475 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.092 2.102 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.892 3.162 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.334 2.128 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.763 2.608 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.059 2.635 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.819 4.033 -4.148 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.699 7.400 -0.433 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.888 7.901 0.247 1.00 0.00 C ATOM 1158 C GLU A 74 -11.533 9.166 1.029 1.00 0.00 C ATOM 1159 O GLU A 74 -12.008 10.248 0.689 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.444 6.777 1.141 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.683 7.189 1.938 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.899 7.500 1.060 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.396 6.608 0.328 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.460 8.607 1.204 1.00 0.00 O ATOM 0 H GLU A 74 -9.822 7.701 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.667 8.180 -0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.691 5.917 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.666 6.456 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.941 6.389 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.444 8.067 2.538 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.714 9.036 2.077 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.284 10.155 2.902 1.00 0.00 C ATOM 1173 C GLY A 75 -9.257 11.004 2.154 1.00 0.00 C ATOM 1174 O GLY A 75 -8.927 10.713 1.000 1.00 0.00 O ATOM 0 H GLY A 75 -10.330 8.139 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.144 10.768 3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.852 9.785 3.832 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.739 12.041 2.819 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.750 12.954 2.250 1.00 0.00 C ATOM 1180 C GLU A 76 -6.583 12.184 1.621 1.00 0.00 C ATOM 1181 O GLU A 76 -6.187 11.124 2.115 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.211 13.904 3.329 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.182 15.009 3.754 1.00 0.00 C ATOM 1184 CD GLU A 76 -9.327 14.527 4.650 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.083 13.709 5.572 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -10.457 15.037 4.466 1.00 0.00 O ATOM 0 H GLU A 76 -8.999 12.270 3.778 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.247 13.534 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.942 13.318 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.295 14.366 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.625 15.784 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.604 15.470 2.861 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.036 12.715 0.528 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.922 12.143 -0.197 1.00 0.00 C ATOM 1195 C GLY A 77 -3.678 12.978 0.047 1.00 0.00 C ATOM 1196 O GLY A 77 -3.695 13.929 0.837 1.00 0.00 O ATOM 0 H GLY A 77 -6.374 13.585 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.753 11.116 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.147 12.109 -1.263 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.602 12.650 -0.664 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.325 13.347 -0.570 1.00 0.00 C ATOM 1202 C PHE A 78 -0.621 13.368 -1.929 1.00 0.00 C ATOM 1203 O PHE A 78 -0.949 12.536 -2.781 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.429 12.605 0.420 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.672 12.878 1.888 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.675 12.181 2.576 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.173 13.754 2.596 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -1.738 12.256 3.973 1.00 0.00 C ATOM 1209 CE2 PHE A 78 0.072 13.870 3.992 1.00 0.00 C ATOM 1210 CZ PHE A 78 -0.870 13.097 4.687 1.00 0.00 C ATOM 0 H PHE A 78 -2.594 11.879 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.509 14.370 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.545 11.535 0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.608 12.854 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.396 11.589 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.905 14.341 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.463 11.660 4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.716 14.551 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.927 13.149 5.764 1.00 0.00 H new ATOM 1220 N PRO A 79 0.397 14.234 -2.114 1.00 0.00 N ATOM 1221 CA PRO A 79 1.164 14.362 -3.354 1.00 0.00 C ATOM 1222 C PRO A 79 1.993 13.136 -3.750 1.00 0.00 C ATOM 1223 O PRO A 79 2.589 13.147 -4.826 1.00 0.00 O ATOM 1224 CB PRO A 79 2.103 15.554 -3.125 1.00 0.00 C ATOM 1225 CG PRO A 79 2.250 15.642 -1.614 1.00 0.00 C ATOM 1226 CD PRO A 79 0.846 15.256 -1.167 1.00 0.00 C ATOM 0 HA PRO A 79 0.462 14.486 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.067 15.398 -3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.685 16.473 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.008 14.958 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.528 16.643 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.852 14.870 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.180 16.119 -1.177 1.00 0.00 H new ATOM 1234 N SER A 80 2.109 12.110 -2.907 1.00 0.00 N ATOM 1235 CA SER A 80 2.885 10.911 -3.217 1.00 0.00 C ATOM 1236 C SER A 80 2.210 9.712 -2.568 1.00 0.00 C ATOM 1237 O SER A 80 1.421 9.865 -1.632 1.00 0.00 O ATOM 1238 CB SER A 80 4.323 11.055 -2.697 1.00 0.00 C ATOM 1239 OG SER A 80 5.283 10.349 -3.465 1.00 0.00 O ATOM 0 H SER A 80 1.666 12.088 -1.988 1.00 0.00 H new ATOM 0 HA SER A 80 2.927 10.772 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.590 12.112 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.364 10.701 -1.667 1.00 0.00 H new ATOM 0 HG SER A 80 6.174 10.485 -3.080 1.00 0.00 H new ATOM 1245 N ILE A 81 2.548 8.520 -3.052 1.00 0.00 N ATOM 1246 CA ILE A 81 2.010 7.273 -2.548 1.00 0.00 C ATOM 1247 C ILE A 81 2.423 7.040 -1.082 1.00 0.00 C ATOM 1248 O ILE A 81 1.526 6.797 -0.273 1.00 0.00 O ATOM 1249 CB ILE A 81 2.407 6.091 -3.469 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.005 6.297 -4.951 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.839 4.756 -2.944 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.511 6.174 -5.237 1.00 0.00 C ATOM 0 H ILE A 81 3.213 8.398 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 81 0.922 7.337 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 81 3.496 6.054 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.340 7.284 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.538 5.568 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.135 3.947 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.229 4.563 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.751 4.814 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.330 6.334 -6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.168 5.178 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.033 6.922 -4.660 1.00 0.00 H new ATOM 1264 N PRO A 82 3.715 7.126 -0.681 1.00 0.00 N ATOM 1265 CA PRO A 82 4.090 6.860 0.706 1.00 0.00 C ATOM 1266 C PRO A 82 3.500 7.880 1.669 1.00 0.00 C ATOM 1267 O PRO A 82 3.116 7.499 2.773 1.00 0.00 O ATOM 1268 CB PRO A 82 5.620 6.809 0.749 1.00 0.00 C ATOM 1269 CG PRO A 82 6.044 7.636 -0.456 1.00 0.00 C ATOM 1270 CD PRO A 82 4.912 7.424 -1.460 1.00 0.00 C ATOM 0 HA PRO A 82 3.678 5.908 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.008 7.227 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.988 5.785 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.158 8.689 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.001 7.300 -0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.765 8.314 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.146 6.605 -2.140 1.00 0.00 H new ATOM 1278 N LEU A 83 3.382 9.142 1.245 1.00 0.00 N ATOM 1279 CA LEU A 83 2.824 10.226 2.050 1.00 0.00 C ATOM 1280 C LEU A 83 1.431 9.833 2.554 1.00 0.00 C ATOM 1281 O LEU A 83 1.119 10.031 3.725 1.00 0.00 O ATOM 1282 CB LEU A 83 2.786 11.533 1.237 1.00 0.00 C ATOM 1283 CG LEU A 83 3.995 12.487 1.302 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.090 13.154 2.679 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.326 11.806 0.958 1.00 0.00 C ATOM 0 H LEU A 83 3.678 9.441 0.316 1.00 0.00 H new ATOM 0 HA LEU A 83 3.462 10.399 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.633 11.266 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.907 12.093 1.555 1.00 0.00 H new ATOM 0 HG LEU A 83 3.820 13.245 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.951 13.823 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.182 13.725 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.205 12.389 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.135 12.534 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.511 10.994 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.279 11.406 -0.055 1.00 0.00 H new ATOM 1297 N LEU A 84 0.595 9.278 1.671 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.754 8.849 2.022 1.00 0.00 C ATOM 1299 C LEU A 84 -0.712 7.583 2.866 1.00 0.00 C ATOM 1300 O LEU A 84 -1.401 7.516 3.880 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.585 8.707 0.736 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.025 8.156 0.827 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.055 6.626 0.902 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.834 8.822 1.944 1.00 0.00 C ATOM 0 H LEU A 84 0.838 9.115 0.694 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.244 9.598 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.639 9.691 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.029 8.062 0.056 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.523 8.424 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.088 6.285 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.589 6.209 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.509 6.294 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.839 8.400 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.345 8.646 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.895 9.895 1.759 1.00 0.00 H new ATOM 1316 N ILE A 85 0.072 6.575 2.478 1.00 0.00 N ATOM 1317 CA ILE A 85 0.148 5.334 3.244 1.00 0.00 C ATOM 1318 C ILE A 85 0.526 5.620 4.697 1.00 0.00 C ATOM 1319 O ILE A 85 -0.040 4.996 5.597 1.00 0.00 O ATOM 1320 CB ILE A 85 1.107 4.346 2.553 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.559 3.888 1.181 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.437 3.131 3.435 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.837 3.257 1.195 1.00 0.00 C ATOM 0 H ILE A 85 0.659 6.595 1.644 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.833 4.859 3.271 1.00 0.00 H new ATOM 0 HB ILE A 85 2.037 4.889 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.541 4.749 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.258 3.168 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.116 2.467 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.911 3.469 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.519 2.595 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.119 2.974 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.829 2.371 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.557 3.976 1.585 1.00 0.00 H new ATOM 1335 N ASP A 86 1.441 6.567 4.930 1.00 0.00 N ATOM 1336 CA ASP A 86 1.865 6.917 6.276 1.00 0.00 C ATOM 1337 C ASP A 86 0.655 7.338 7.103 1.00 0.00 C ATOM 1338 O ASP A 86 0.536 6.890 8.242 1.00 0.00 O ATOM 1339 CB ASP A 86 2.935 8.011 6.263 1.00 0.00 C ATOM 1340 CG ASP A 86 3.651 8.118 7.614 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.195 8.867 8.505 1.00 0.00 O ATOM 1342 OD2 ASP A 86 4.725 7.485 7.768 1.00 0.00 O ATOM 0 H ASP A 86 1.900 7.104 4.194 1.00 0.00 H new ATOM 0 HA ASP A 86 2.317 6.038 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.664 7.799 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.474 8.968 6.018 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.242 8.151 6.527 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.455 8.624 7.185 1.00 0.00 C ATOM 1349 C HIS A 87 -2.375 7.461 7.533 1.00 0.00 C ATOM 1350 O HIS A 87 -2.851 7.418 8.664 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.126 9.678 6.294 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.583 9.986 6.548 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -4.081 10.812 7.529 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.627 9.661 5.723 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -5.386 11.005 7.294 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.756 10.350 6.182 1.00 0.00 N ATOM 0 H HIS A 87 -0.137 8.501 5.575 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.207 9.098 8.135 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.565 10.607 6.392 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.027 9.354 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.587 8.995 4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.044 11.601 7.909 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.682 10.354 5.754 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.619 6.510 6.621 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.509 5.379 6.909 1.00 0.00 C ATOM 1366 C LEU A 88 -2.986 4.589 8.089 1.00 0.00 C ATOM 1367 O LEU A 88 -3.740 4.318 9.017 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.705 4.410 5.730 1.00 0.00 C ATOM 1369 CG LEU A 88 -4.791 4.884 4.756 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.297 6.107 4.014 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.143 3.788 3.746 1.00 0.00 C ATOM 0 H LEU A 88 -2.215 6.501 5.684 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.479 5.827 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.763 4.300 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.970 3.425 6.114 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.686 5.125 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.066 6.447 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.075 6.901 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.393 5.855 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.915 4.152 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.254 3.522 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.510 2.909 4.276 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.712 4.217 8.055 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.088 3.455 9.125 1.00 0.00 C ATOM 1385 C LEU A 89 -1.165 4.264 10.432 1.00 0.00 C ATOM 1386 O LEU A 89 -1.582 3.739 11.469 1.00 0.00 O ATOM 1387 CB LEU A 89 0.349 3.080 8.695 1.00 0.00 C ATOM 1388 CG LEU A 89 0.527 1.743 7.959 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.099 0.510 8.742 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.185 1.762 6.613 1.00 0.00 C ATOM 0 H LEU A 89 -1.083 4.437 7.283 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.611 2.518 9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.729 3.874 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.976 3.063 9.586 1.00 0.00 H new ATOM 0 HG LEU A 89 1.605 1.653 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.264 -0.381 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.685 0.440 9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.959 0.587 8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.043 0.804 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.250 1.937 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.228 2.559 5.994 1.00 0.00 H new ATOM 1402 N SER A 90 -0.862 5.562 10.376 1.00 0.00 N ATOM 1403 CA SER A 90 -0.867 6.494 11.501 1.00 0.00 C ATOM 1404 C SER A 90 -2.276 6.838 12.034 1.00 0.00 C ATOM 1405 O SER A 90 -2.372 7.451 13.100 1.00 0.00 O ATOM 1406 CB SER A 90 -0.120 7.760 11.043 1.00 0.00 C ATOM 1407 OG SER A 90 0.326 8.588 12.099 1.00 0.00 O ATOM 0 H SER A 90 -0.593 6.012 9.501 1.00 0.00 H new ATOM 0 HA SER A 90 -0.372 6.018 12.347 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.740 7.463 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.777 8.340 10.395 1.00 0.00 H new ATOM 0 HG SER A 90 -0.328 8.569 12.828 1.00 0.00 H new ATOM 1413 N THR A 91 -3.373 6.435 11.382 1.00 0.00 N ATOM 1414 CA THR A 91 -4.734 6.753 11.841 1.00 0.00 C ATOM 1415 C THR A 91 -5.672 5.540 11.880 1.00 0.00 C ATOM 1416 O THR A 91 -6.706 5.597 12.542 1.00 0.00 O ATOM 1417 CB THR A 91 -5.275 7.915 10.980 1.00 0.00 C ATOM 1418 OG1 THR A 91 -6.247 8.716 11.622 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.853 7.469 9.683 1.00 0.00 C ATOM 0 H THR A 91 -3.345 5.882 10.525 1.00 0.00 H new ATOM 0 HA THR A 91 -4.689 7.067 12.884 1.00 0.00 H new ATOM 0 HB THR A 91 -4.381 8.514 10.807 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.537 9.428 11.014 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.214 8.335 9.129 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.087 6.958 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.682 6.786 9.870 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.312 4.425 11.237 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.094 3.194 11.167 1.00 0.00 C ATOM 1429 C GLN A 92 -7.463 3.424 10.506 1.00 0.00 C ATOM 1430 O GLN A 92 -8.432 2.723 10.798 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.143 2.510 12.551 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.749 2.085 13.040 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.180 0.983 12.164 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.710 -0.125 12.142 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.145 1.272 11.396 1.00 0.00 N ATOM 0 H GLN A 92 -4.429 4.356 10.730 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.596 2.486 10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.588 3.192 13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.790 1.634 12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.079 2.944 13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.811 1.739 14.072 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.725 2.201 11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.766 0.567 10.764 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.564 4.422 9.621 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.807 4.724 8.926 1.00 0.00 C ATOM 1446 C GLN A 93 -9.143 3.595 7.944 1.00 0.00 C ATOM 1447 O GLN A 93 -8.229 3.044 7.321 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.729 6.074 8.186 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.541 6.220 7.214 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.649 7.452 6.325 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.950 8.613 6.881 1.00 0.00 O flip ATOM 1452 NE2 GLN A 93 -7.475 7.372 5.115 1.00 0.00 N flip ATOM 0 H GLN A 93 -6.788 5.036 9.372 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.600 4.803 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.654 6.219 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.674 6.873 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.615 6.271 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.480 5.330 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.243 6.474 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.562 8.204 4.531 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.429 3.258 7.753 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.804 2.217 6.821 1.00 0.00 C ATOM 1463 C PRO A 94 -10.684 2.755 5.393 1.00 0.00 C ATOM 1464 O PRO A 94 -11.132 3.861 5.089 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.241 1.839 7.184 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.807 3.139 7.751 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.602 3.806 8.416 1.00 0.00 C ATOM 0 HA PRO A 94 -10.162 1.338 6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.802 1.501 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.273 1.032 7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.228 3.767 6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.604 2.948 8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.644 4.889 8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.580 3.597 9.485 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.117 1.945 4.503 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.912 2.246 3.087 1.00 0.00 C ATOM 1477 C LEU A 95 -11.228 2.571 2.389 1.00 0.00 C ATOM 1478 O LEU A 95 -11.279 3.460 1.544 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.338 1.003 2.382 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.820 0.830 2.529 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.495 -0.662 2.472 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.073 1.543 1.401 1.00 0.00 C ATOM 0 H LEU A 95 -9.772 1.020 4.759 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.238 3.101 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.832 0.116 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.583 1.057 1.321 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.506 1.263 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.419 -0.804 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.009 -1.177 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.825 -1.070 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.000 1.404 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.380 1.127 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.306 2.607 1.426 1.00 0.00 H new ATOM 1494 N THR A 96 -12.277 1.814 2.709 1.00 0.00 N ATOM 1495 CA THR A 96 -13.601 1.945 2.127 1.00 0.00 C ATOM 1496 C THR A 96 -14.650 1.547 3.163 1.00 0.00 C ATOM 1497 O THR A 96 -14.472 0.552 3.871 1.00 0.00 O ATOM 1498 CB THR A 96 -13.689 1.000 0.904 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.009 -0.223 1.144 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.110 1.620 -0.371 1.00 0.00 C ATOM 0 H THR A 96 -12.221 1.070 3.404 1.00 0.00 H new ATOM 0 HA THR A 96 -13.781 2.974 1.817 1.00 0.00 H new ATOM 0 HB THR A 96 -14.754 0.821 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.335 -0.906 0.522 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.200 0.911 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.659 2.530 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.059 1.861 -0.213 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.752 2.291 3.251 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.857 2.027 4.169 1.00 0.00 C ATOM 1510 C LYS A 97 -17.443 0.659 3.847 1.00 0.00 C ATOM 1511 O LYS A 97 -17.648 -0.159 4.741 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.911 3.139 3.992 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.272 2.910 4.663 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.224 2.836 6.191 1.00 0.00 C ATOM 1515 CE LYS A 97 -18.996 4.234 6.786 1.00 0.00 C ATOM 1516 NZ LYS A 97 -18.962 4.207 8.258 1.00 0.00 N ATOM 0 H LYS A 97 -15.904 3.115 2.670 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.519 2.023 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.493 4.069 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.078 3.283 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.946 3.716 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.700 1.983 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.157 2.419 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.424 2.165 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.057 4.640 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.789 4.904 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.806 5.170 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.867 3.844 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.189 3.589 8.576 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.665 0.383 2.559 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.238 -0.870 2.091 1.00 0.00 C ATOM 1532 C LYS A 98 -17.364 -2.093 2.372 1.00 0.00 C ATOM 1533 O LYS A 98 -17.860 -3.205 2.211 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.531 -0.724 0.582 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.376 -1.829 -0.076 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.771 -1.943 0.540 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.667 -2.861 -0.287 1.00 0.00 C ATOM 1538 NZ LYS A 98 -23.025 -2.920 0.286 1.00 0.00 N ATOM 0 H LYS A 98 -17.447 1.036 1.806 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.156 -1.054 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.038 0.228 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.578 -0.668 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.469 -1.625 -1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.860 -2.784 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.692 -2.328 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.223 -0.954 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.716 -2.500 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.238 -3.862 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -23.618 -3.550 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.976 -3.286 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -23.440 -1.966 0.296 1.00 0.00 H new ATOM 1552 N SER A 99 -16.093 -1.956 2.769 1.00 0.00 N ATOM 1553 CA SER A 99 -15.236 -3.115 3.028 1.00 0.00 C ATOM 1554 C SER A 99 -14.569 -3.102 4.408 1.00 0.00 C ATOM 1555 O SER A 99 -14.084 -4.153 4.827 1.00 0.00 O ATOM 1556 CB SER A 99 -14.254 -3.272 1.855 1.00 0.00 C ATOM 1557 OG SER A 99 -13.962 -4.638 1.597 1.00 0.00 O ATOM 0 H SER A 99 -15.638 -1.055 2.917 1.00 0.00 H new ATOM 0 HA SER A 99 -15.860 -4.007 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.678 -2.815 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.331 -2.738 2.079 1.00 0.00 H new ATOM 0 HG SER A 99 -14.498 -4.949 0.838 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.534 -1.960 5.104 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.954 -1.789 6.433 1.00 0.00 C ATOM 1565 C GLY A 100 -12.500 -2.221 6.593 1.00 0.00 C ATOM 1566 O GLY A 100 -12.054 -2.415 7.723 1.00 0.00 O ATOM 0 H GLY A 100 -14.928 -1.094 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.031 -0.737 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.559 -2.350 7.146 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.770 -2.392 5.494 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.383 -2.820 5.488 1.00 0.00 C ATOM 1572 C VAL A 101 -9.486 -1.730 6.064 1.00 0.00 C ATOM 1573 O VAL A 101 -9.628 -0.569 5.684 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.969 -3.137 4.040 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.543 -3.680 3.960 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.889 -4.160 3.362 1.00 0.00 C ATOM 0 H VAL A 101 -12.142 -2.231 4.558 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.274 -3.710 6.107 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.044 -2.183 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.292 -3.890 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.849 -2.940 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.470 -4.598 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.544 -4.341 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.870 -5.094 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.908 -3.773 3.337 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.557 -2.105 6.939 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.582 -1.221 7.573 1.00 0.00 C ATOM 1588 C VAL A 102 -6.196 -1.805 7.247 1.00 0.00 C ATOM 1589 O VAL A 102 -6.090 -2.908 6.705 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.881 -1.063 9.083 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.991 -0.012 9.755 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.339 -0.621 9.316 1.00 0.00 C ATOM 0 H VAL A 102 -8.459 -3.075 7.239 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.628 -0.201 7.192 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.687 -2.044 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.244 0.057 10.813 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.945 -0.300 9.650 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.150 0.956 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.521 -0.518 10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.512 0.336 8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -10.016 -1.369 8.903 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.137 -1.044 7.506 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.742 -1.389 7.267 1.00 0.00 C ATOM 1604 C LEU A 103 -3.105 -1.591 8.639 1.00 0.00 C ATOM 1605 O LEU A 103 -3.174 -0.670 9.443 1.00 0.00 O ATOM 1606 CB LEU A 103 -3.069 -0.235 6.492 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.327 -0.248 4.969 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.796 0.002 4.612 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.497 0.826 4.261 1.00 0.00 C ATOM 0 H LEU A 103 -5.237 -0.114 7.913 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.631 -2.294 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.421 0.713 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.994 -0.276 6.666 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.042 -1.246 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.916 -0.019 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.417 -0.774 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.102 0.977 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.698 0.794 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.764 1.808 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.437 0.641 4.437 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.558 -2.773 8.935 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.924 -3.097 10.213 1.00 0.00 C ATOM 1623 C HIS A 104 -0.392 -3.211 10.161 1.00 0.00 C ATOM 1624 O HIS A 104 0.232 -2.990 11.202 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.503 -4.413 10.754 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.813 -4.253 11.480 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -3.951 -3.739 12.749 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.046 -4.692 11.075 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.236 -3.868 13.109 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.937 -4.457 12.125 1.00 0.00 N ATOM 0 H HIS A 104 -2.544 -3.550 8.275 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.145 -2.256 10.871 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.642 -5.106 9.924 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.778 -4.867 11.430 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.285 -5.137 10.121 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.648 -3.545 14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.930 -4.688 12.142 1.00 0.00 H new ATOM 1638 N ARG A 105 0.220 -3.618 9.040 1.00 0.00 N ATOM 1639 CA ARG A 105 1.673 -3.772 8.852 1.00 0.00 C ATOM 1640 C ARG A 105 1.981 -4.077 7.384 1.00 0.00 C ATOM 1641 O ARG A 105 1.201 -4.759 6.723 1.00 0.00 O ATOM 1642 CB ARG A 105 2.181 -4.952 9.708 1.00 0.00 C ATOM 1643 CG ARG A 105 3.670 -5.283 9.497 1.00 0.00 C ATOM 1644 CD ARG A 105 4.240 -6.219 10.564 1.00 0.00 C ATOM 1645 NE ARG A 105 4.288 -5.565 11.879 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.486 -6.171 13.051 1.00 0.00 C ATOM 1647 NH1 ARG A 105 4.743 -7.472 13.120 1.00 0.00 N ATOM 1648 NH2 ARG A 105 4.423 -5.460 14.161 1.00 0.00 N ATOM 0 H ARG A 105 -0.306 -3.860 8.201 1.00 0.00 H new ATOM 0 HA ARG A 105 2.165 -2.846 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.016 -4.721 10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.587 -5.836 9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.797 -5.741 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.244 -4.356 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.628 -7.119 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.243 -6.534 10.276 1.00 0.00 H new ATOM 0 HE ARG A 105 4.158 -4.554 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.792 -8.028 12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.891 -7.915 14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.225 -4.460 14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.572 -5.910 15.064 1.00 0.00 H new ATOM 1662 N ALA A 106 3.113 -3.601 6.868 1.00 0.00 N ATOM 1663 CA ALA A 106 3.565 -3.831 5.500 1.00 0.00 C ATOM 1664 C ALA A 106 4.370 -5.119 5.415 1.00 0.00 C ATOM 1665 O ALA A 106 4.992 -5.541 6.393 1.00 0.00 O ATOM 1666 CB ALA A 106 4.459 -2.659 5.086 1.00 0.00 C ATOM 0 H ALA A 106 3.760 -3.027 7.409 1.00 0.00 H new ATOM 0 HA ALA A 106 2.700 -3.913 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.808 -2.811 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.890 -1.731 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.316 -2.600 5.758 1.00 0.00 H new ATOM 1672 N VAL A 107 4.378 -5.734 4.233 1.00 0.00 N ATOM 1673 CA VAL A 107 5.117 -6.961 3.984 1.00 0.00 C ATOM 1674 C VAL A 107 6.352 -6.562 3.148 1.00 0.00 C ATOM 1675 O VAL A 107 6.208 -5.734 2.245 1.00 0.00 O ATOM 1676 CB VAL A 107 4.191 -8.024 3.360 1.00 0.00 C ATOM 1677 CG1 VAL A 107 3.045 -8.433 4.296 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.581 -7.642 2.013 1.00 0.00 C ATOM 0 H VAL A 107 3.868 -5.389 3.420 1.00 0.00 H new ATOM 0 HA VAL A 107 5.479 -7.444 4.891 1.00 0.00 H new ATOM 0 HB VAL A 107 4.869 -8.861 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.425 -9.183 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.457 -8.848 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.438 -7.559 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.946 -8.454 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.983 -6.738 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.377 -7.461 1.291 1.00 0.00 H new ATOM 1688 N PRO A 108 7.561 -7.074 3.442 1.00 0.00 N ATOM 1689 CA PRO A 108 8.778 -6.727 2.712 1.00 0.00 C ATOM 1690 C PRO A 108 9.021 -7.554 1.444 1.00 0.00 C ATOM 1691 O PRO A 108 8.690 -8.739 1.383 1.00 0.00 O ATOM 1692 CB PRO A 108 9.886 -6.997 3.731 1.00 0.00 C ATOM 1693 CG PRO A 108 9.375 -8.216 4.501 1.00 0.00 C ATOM 1694 CD PRO A 108 7.857 -8.034 4.496 1.00 0.00 C ATOM 0 HA PRO A 108 8.724 -5.701 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.839 -7.201 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.042 -6.143 4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.669 -9.148 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.772 -8.245 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.353 -8.982 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.506 -7.671 5.462 1.00 0.00 H new ATOM 1702 N SER A 109 9.734 -6.968 0.479 1.00 0.00 N ATOM 1703 CA SER A 109 10.080 -7.605 -0.787 1.00 0.00 C ATOM 1704 C SER A 109 11.250 -8.591 -0.639 1.00 0.00 C ATOM 1705 O SER A 109 11.338 -9.525 -1.437 1.00 0.00 O ATOM 1706 CB SER A 109 10.353 -6.504 -1.818 1.00 0.00 C ATOM 1707 OG SER A 109 10.340 -6.936 -3.170 1.00 0.00 O ATOM 0 H SER A 109 10.093 -6.017 0.561 1.00 0.00 H new ATOM 0 HA SER A 109 9.246 -8.215 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.607 -5.718 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.324 -6.058 -1.603 1.00 0.00 H new ATOM 0 HG SER A 109 10.521 -6.174 -3.759 1.00 0.00 H new ATOM 1713 N GLY A 110 12.105 -8.451 0.379 1.00 0.00 N ATOM 1714 CA GLY A 110 13.231 -9.356 0.579 1.00 0.00 C ATOM 1715 C GLY A 110 14.499 -8.889 -0.146 1.00 0.00 C ATOM 1716 O GLY A 110 14.548 -7.763 -0.648 1.00 0.00 O ATOM 0 H GLY A 110 12.034 -7.713 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.438 -9.442 1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.960 -10.351 0.225 1.00 0.00 H new ATOM 1720 N PRO A 111 15.555 -9.719 -0.182 1.00 0.00 N ATOM 1721 CA PRO A 111 16.826 -9.391 -0.822 1.00 0.00 C ATOM 1722 C PRO A 111 16.718 -9.317 -2.346 1.00 0.00 C ATOM 1723 O PRO A 111 16.488 -10.334 -3.005 1.00 0.00 O ATOM 1724 CB PRO A 111 17.791 -10.498 -0.389 1.00 0.00 C ATOM 1725 CG PRO A 111 16.884 -11.698 -0.121 1.00 0.00 C ATOM 1726 CD PRO A 111 15.595 -11.060 0.390 1.00 0.00 C ATOM 0 HA PRO A 111 17.168 -8.401 -0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 111 18.522 -10.717 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 111 18.350 -10.214 0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.712 -12.282 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 111 17.318 -12.373 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.725 -11.641 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 111 15.585 -11.020 1.479 1.00 0.00 H new ATOM 1734 N SER A 112 16.898 -8.134 -2.922 1.00 0.00 N ATOM 1735 CA SER A 112 16.854 -7.880 -4.357 1.00 0.00 C ATOM 1736 C SER A 112 18.277 -7.546 -4.820 1.00 0.00 C ATOM 1737 O SER A 112 19.007 -6.853 -4.103 1.00 0.00 O ATOM 1738 CB SER A 112 15.878 -6.740 -4.650 1.00 0.00 C ATOM 1739 OG SER A 112 14.599 -7.037 -4.115 1.00 0.00 O ATOM 0 H SER A 112 17.086 -7.291 -2.379 1.00 0.00 H new ATOM 0 HA SER A 112 16.499 -8.755 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.253 -5.812 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.802 -6.585 -5.726 1.00 0.00 H new ATOM 0 HG SER A 112 13.984 -6.299 -4.308 1.00 0.00 H new ATOM 1745 N SER A 113 18.668 -8.040 -5.993 1.00 0.00 N ATOM 1746 CA SER A 113 19.982 -7.851 -6.596 1.00 0.00 C ATOM 1747 C SER A 113 19.833 -7.579 -8.098 1.00 0.00 C ATOM 1748 O SER A 113 18.726 -7.319 -8.582 1.00 0.00 O ATOM 1749 CB SER A 113 20.828 -9.097 -6.297 1.00 0.00 C ATOM 1750 OG SER A 113 22.209 -8.833 -6.446 1.00 0.00 O ATOM 0 H SER A 113 18.049 -8.607 -6.573 1.00 0.00 H new ATOM 0 HA SER A 113 20.490 -6.984 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 113 20.629 -9.438 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 113 20.537 -9.906 -6.967 1.00 0.00 H new ATOM 0 HG SER A 113 22.721 -9.645 -6.247 1.00 0.00 H new ATOM 1756 N GLY A 114 20.939 -7.582 -8.844 1.00 0.00 N ATOM 1757 CA GLY A 114 20.972 -7.350 -10.277 1.00 0.00 C ATOM 1758 C GLY A 114 22.135 -8.081 -10.917 1.00 0.00 C ATOM 1759 O GLY A 114 22.057 -8.334 -12.138 1.00 0.00 O ATOM 0 H GLY A 114 21.863 -7.752 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 114 20.036 -7.684 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 114 21.056 -6.281 -10.475 1.00 0.00 H new TER 1763 GLY A 114