USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1017 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 90 THR OG1 : rot -90:sc= 1.08 USER MOD Set 1.2: A 93 ASN : amide:sc= -3.48! C(o=-2.4!,f=-7!) USER MOD Set 2.1: A 14 GLN : amide:sc= -5.1 K(o=-5.8,f=-7.3!) USER MOD Set 2.2: A 147 ASN : amide:sc= -0.678 K(o=-5.8,f=-6.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -113:sc= -2.62! (180deg=-9.24!) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= 1.93 (180deg=0.0354) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 171:sc= -1.64 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -168:sc= -9.13! (180deg=-9.58!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 68 HIS : no HE2:sc= -0.205 K(o=-0.2,f=-5.5!) USER MOD Single : A 72 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.034) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 15:sc= -1.42 USER MOD Single : A 88 MET CE :methyl -160:sc= -9.7! (180deg=-11.9!) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.926 USER MOD Single : A 99 GLN : amide:sc=-0.00435 X(o=-0.0043,f=0) USER MOD Single : A 103 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.3) USER MOD Single : A 104 GLN : amide:sc=-0.00511 X(o=-0.0051,f=0) USER MOD Single : A 106 TYR OH : rot 80:sc= 0.145 USER MOD Single : A 108 SER OG : rot 165:sc= -3.46 USER MOD Single : A 109 TYR OH : rot -66:sc= 0.798 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -4.7! C(o=-4.7!,f=-4.3!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -2.01! C(o=-2!,f=-1.7!) USER MOD Single : A 133 ASN : amide:sc=-0.00607 X(o=-0.0061,f=-0.12) USER MOD Single : A 136 THR OG1 : rot -68:sc= 0.257 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 LYS NZ :NH3+ -155:sc= -0.15 (180deg=-0.709) USER MOD Single : A 144 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.4!) USER MOD Single : A 145 TYR OH : rot 0:sc= -0.0801 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.169 -3.284 -18.193 1.00 0.00 N ATOM 23 CA ILE A 10 -8.926 -2.670 -17.748 1.00 0.00 C ATOM 24 C ILE A 10 -9.087 -2.046 -16.363 1.00 0.00 C ATOM 25 O ILE A 10 -8.403 -2.437 -15.416 1.00 0.00 O ATOM 26 CB ILE A 10 -8.443 -1.601 -18.753 1.00 0.00 C ATOM 27 CG1 ILE A 10 -7.953 -2.274 -20.035 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.341 -0.742 -18.150 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.995 -2.326 -21.127 1.00 0.00 C ATOM 0 HA ILE A 10 -8.175 -3.458 -17.690 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.283 -0.949 -18.992 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.078 -1.739 -20.404 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.632 -3.289 -19.802 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.020 0.002 -18.879 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.718 -0.239 -17.260 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.495 -1.373 -17.879 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.577 -2.817 -22.006 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.862 -2.886 -20.776 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.300 -1.312 -21.388 1.00 0.00 H new ATOM 41 N ARG A 11 -9.992 -1.077 -16.244 1.00 0.00 N ATOM 42 CA ARG A 11 -10.225 -0.416 -14.964 1.00 0.00 C ATOM 43 C ARG A 11 -10.547 -1.437 -13.882 1.00 0.00 C ATOM 44 O ARG A 11 -10.217 -1.241 -12.712 1.00 0.00 O ATOM 45 CB ARG A 11 -11.348 0.611 -15.071 1.00 0.00 C ATOM 46 CG ARG A 11 -11.070 1.865 -14.257 1.00 0.00 C ATOM 47 CD ARG A 11 -12.198 2.174 -13.288 1.00 0.00 C ATOM 48 NE ARG A 11 -12.718 3.527 -13.472 1.00 0.00 N ATOM 49 CZ ARG A 11 -13.934 3.913 -13.088 1.00 0.00 C ATOM 50 NH1 ARG A 11 -14.756 3.057 -12.494 1.00 0.00 N ATOM 51 NH2 ARG A 11 -14.326 5.163 -13.299 1.00 0.00 N ATOM 0 H ARG A 11 -10.571 -0.735 -17.011 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.309 0.108 -14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.488 0.884 -16.117 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.281 0.161 -14.732 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.140 1.739 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.928 2.710 -14.930 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.004 1.453 -13.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.840 2.059 -12.265 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.115 4.216 -13.921 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.458 2.096 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.685 3.361 -12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.697 5.825 -13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.256 5.462 -13.006 1.00 0.00 H new ATOM 65 N GLU A 12 -11.177 -2.535 -14.280 1.00 0.00 N ATOM 66 CA GLU A 12 -11.519 -3.589 -13.337 1.00 0.00 C ATOM 67 C GLU A 12 -10.250 -4.130 -12.691 1.00 0.00 C ATOM 68 O GLU A 12 -10.171 -4.258 -11.470 1.00 0.00 O ATOM 69 CB GLU A 12 -12.277 -4.716 -14.039 1.00 0.00 C ATOM 70 CG GLU A 12 -13.789 -4.566 -13.970 1.00 0.00 C ATOM 71 CD GLU A 12 -14.458 -5.717 -13.245 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.203 -6.882 -13.616 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.238 -5.453 -12.306 1.00 0.00 O ATOM 0 H GLU A 12 -11.459 -2.717 -15.243 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.166 -3.173 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.971 -4.753 -15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.994 -5.668 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.035 -3.632 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.190 -4.497 -14.981 1.00 0.00 H new ATOM 80 N ARG A 13 -9.250 -4.426 -13.523 1.00 0.00 N ATOM 81 CA ARG A 13 -7.971 -4.935 -13.038 1.00 0.00 C ATOM 82 C ARG A 13 -7.427 -4.038 -11.937 1.00 0.00 C ATOM 83 O ARG A 13 -6.887 -4.516 -10.939 1.00 0.00 O ATOM 84 CB ARG A 13 -6.958 -5.019 -14.180 1.00 0.00 C ATOM 85 CG ARG A 13 -7.010 -6.330 -14.946 1.00 0.00 C ATOM 86 CD ARG A 13 -7.551 -6.130 -16.350 1.00 0.00 C ATOM 87 NE ARG A 13 -8.361 -7.261 -16.793 1.00 0.00 N ATOM 88 CZ ARG A 13 -7.854 -8.433 -17.170 1.00 0.00 C ATOM 89 NH1 ARG A 13 -6.541 -8.629 -17.164 1.00 0.00 N ATOM 90 NH2 ARG A 13 -8.662 -9.412 -17.554 1.00 0.00 N ATOM 0 H ARG A 13 -9.304 -4.321 -14.536 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.134 -5.935 -12.636 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.135 -4.196 -14.873 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.955 -4.884 -13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.011 -6.763 -14.998 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.638 -7.042 -14.410 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.151 -5.221 -16.381 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.720 -5.987 -17.041 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.374 -7.147 -16.815 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.915 -7.880 -16.869 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.158 -9.529 -17.454 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.672 -9.267 -17.561 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.274 -10.310 -17.843 1.00 0.00 H new ATOM 104 N GLN A 14 -7.584 -2.730 -12.121 1.00 0.00 N ATOM 105 CA GLN A 14 -7.120 -1.761 -11.139 1.00 0.00 C ATOM 106 C GLN A 14 -7.655 -2.111 -9.757 1.00 0.00 C ATOM 107 O GLN A 14 -6.895 -2.233 -8.796 1.00 0.00 O ATOM 108 CB GLN A 14 -7.569 -0.354 -11.525 1.00 0.00 C ATOM 109 CG GLN A 14 -7.130 0.062 -12.917 1.00 0.00 C ATOM 110 CD GLN A 14 -7.142 1.565 -13.095 1.00 0.00 C ATOM 111 OE1 GLN A 14 -7.916 2.105 -13.886 1.00 0.00 O ATOM 112 NE2 GLN A 14 -6.280 2.249 -12.354 1.00 0.00 N ATOM 0 H GLN A 14 -8.029 -2.319 -12.942 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.031 -1.791 -11.116 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.656 -0.299 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.172 0.357 -10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.126 -0.317 -13.108 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.789 -0.395 -13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.658 1.758 -11.712 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.240 3.266 -12.426 1.00 0.00 H new ATOM 121 N THR A 15 -8.970 -2.274 -9.669 1.00 0.00 N ATOM 122 CA THR A 15 -9.610 -2.613 -8.407 1.00 0.00 C ATOM 123 C THR A 15 -9.168 -3.991 -7.914 1.00 0.00 C ATOM 124 O THR A 15 -9.100 -4.229 -6.710 1.00 0.00 O ATOM 125 CB THR A 15 -11.133 -2.570 -8.547 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.509 -2.187 -9.858 1.00 0.00 O ATOM 127 CG2 THR A 15 -11.784 -1.606 -7.581 1.00 0.00 C ATOM 0 H THR A 15 -9.612 -2.177 -10.456 1.00 0.00 H new ATOM 0 HA THR A 15 -9.301 -1.872 -7.670 1.00 0.00 H new ATOM 0 HB THR A 15 -11.477 -3.580 -8.323 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.486 -2.168 -9.925 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.864 -1.618 -7.727 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.553 -1.904 -6.558 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.405 -0.600 -7.760 1.00 0.00 H new ATOM 135 N VAL A 16 -8.865 -4.895 -8.844 1.00 0.00 N ATOM 136 CA VAL A 16 -8.427 -6.241 -8.476 1.00 0.00 C ATOM 137 C VAL A 16 -7.270 -6.179 -7.484 1.00 0.00 C ATOM 138 O VAL A 16 -7.301 -6.821 -6.435 1.00 0.00 O ATOM 139 CB VAL A 16 -7.993 -7.063 -9.708 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.580 -8.469 -9.296 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.109 -7.116 -10.740 1.00 0.00 C ATOM 0 H VAL A 16 -8.914 -4.723 -9.848 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.282 -6.736 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.132 -6.570 -10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.277 -9.033 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.745 -8.413 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.421 -8.970 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.782 -7.700 -11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.990 -7.582 -10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.356 -6.104 -11.061 1.00 0.00 H new ATOM 151 N ALA A 17 -6.253 -5.392 -7.823 1.00 0.00 N ATOM 152 CA ALA A 17 -5.090 -5.236 -6.961 1.00 0.00 C ATOM 153 C ALA A 17 -5.452 -4.459 -5.701 1.00 0.00 C ATOM 154 O ALA A 17 -4.864 -4.663 -4.640 1.00 0.00 O ATOM 155 CB ALA A 17 -3.967 -4.532 -7.710 1.00 0.00 C ATOM 0 H ALA A 17 -6.212 -4.853 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.748 -6.228 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.104 -4.422 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.686 -5.122 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.306 -3.547 -8.032 1.00 0.00 H new ATOM 161 N LEU A 18 -6.425 -3.562 -5.831 1.00 0.00 N ATOM 162 CA LEU A 18 -6.872 -2.744 -4.710 1.00 0.00 C ATOM 163 C LEU A 18 -7.712 -3.559 -3.734 1.00 0.00 C ATOM 164 O LEU A 18 -7.308 -3.793 -2.597 1.00 0.00 O ATOM 165 CB LEU A 18 -7.690 -1.559 -5.218 1.00 0.00 C ATOM 166 CG LEU A 18 -6.879 -0.443 -5.874 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.780 0.435 -6.732 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.170 0.389 -4.816 1.00 0.00 C ATOM 0 H LEU A 18 -6.920 -3.383 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.987 -2.381 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.422 -1.925 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.248 -1.138 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.125 -0.894 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.187 1.225 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.244 -0.171 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.555 0.880 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.596 1.180 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.908 0.832 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.497 -0.248 -4.242 1.00 0.00 H new ATOM 180 N LYS A 19 -8.888 -3.985 -4.189 1.00 0.00 N ATOM 181 CA LYS A 19 -9.793 -4.772 -3.358 1.00 0.00 C ATOM 182 C LYS A 19 -9.065 -5.947 -2.716 1.00 0.00 C ATOM 183 O LYS A 19 -9.299 -6.275 -1.555 1.00 0.00 O ATOM 184 CB LYS A 19 -10.969 -5.284 -4.192 1.00 0.00 C ATOM 185 CG LYS A 19 -11.918 -4.187 -4.645 1.00 0.00 C ATOM 186 CD LYS A 19 -13.156 -4.764 -5.312 1.00 0.00 C ATOM 187 CE LYS A 19 -12.975 -4.882 -6.817 1.00 0.00 C ATOM 188 NZ LYS A 19 -13.929 -5.855 -7.416 1.00 0.00 N ATOM 0 H LYS A 19 -9.236 -3.798 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.169 -4.125 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.583 -5.803 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.526 -6.016 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.213 -3.583 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.404 -3.524 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.372 -5.747 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.016 -4.129 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.117 -3.904 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.954 -5.193 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.773 -5.906 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.777 -6.794 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.904 -5.545 -7.229 1.00 0.00 H new ATOM 202 N ARG A 20 -8.176 -6.572 -3.479 1.00 0.00 N ATOM 203 CA ARG A 20 -7.411 -7.708 -2.983 1.00 0.00 C ATOM 204 C ARG A 20 -6.631 -7.324 -1.732 1.00 0.00 C ATOM 205 O ARG A 20 -6.712 -7.998 -0.705 1.00 0.00 O ATOM 206 CB ARG A 20 -6.454 -8.213 -4.066 1.00 0.00 C ATOM 207 CG ARG A 20 -5.586 -9.379 -3.619 1.00 0.00 C ATOM 208 CD ARG A 20 -4.887 -10.041 -4.797 1.00 0.00 C ATOM 209 NE ARG A 20 -5.547 -11.281 -5.198 1.00 0.00 N ATOM 210 CZ ARG A 20 -6.489 -11.357 -6.138 1.00 0.00 C ATOM 211 NH1 ARG A 20 -6.886 -10.268 -6.786 1.00 0.00 N ATOM 212 NH2 ARG A 20 -7.037 -12.528 -6.431 1.00 0.00 N ATOM 0 H ARG A 20 -7.968 -6.311 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.107 -8.506 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.034 -8.516 -4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.810 -7.392 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.842 -9.026 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.202 -10.114 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.867 -9.351 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.851 -10.251 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.269 -12.143 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.469 -9.363 -6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.608 -10.336 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.738 -13.369 -5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.758 -12.588 -7.150 1.00 0.00 H new ATOM 226 N MET A 21 -5.882 -6.232 -1.822 1.00 0.00 N ATOM 227 CA MET A 21 -5.089 -5.756 -0.693 1.00 0.00 C ATOM 228 C MET A 21 -5.951 -4.974 0.296 1.00 0.00 C ATOM 229 O MET A 21 -5.566 -4.778 1.448 1.00 0.00 O ATOM 230 CB MET A 21 -3.934 -4.882 -1.189 1.00 0.00 C ATOM 231 CG MET A 21 -4.374 -3.527 -1.719 1.00 0.00 C ATOM 232 SD MET A 21 -2.989 -2.404 -1.990 1.00 0.00 S ATOM 233 CE MET A 21 -3.833 -0.825 -1.985 1.00 0.00 C ATOM 0 H MET A 21 -5.806 -5.660 -2.663 1.00 0.00 H new ATOM 0 HA MET A 21 -4.683 -6.625 -0.176 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.228 -4.731 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.400 -5.414 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.913 -3.665 -2.656 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.071 -3.074 -1.014 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.784 -0.383 -2.980 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.876 -0.971 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.354 -0.158 -1.268 1.00 0.00 H new ATOM 487 N TRP A 38 -7.151 -5.081 11.309 1.00 0.00 N ATOM 488 CA TRP A 38 -7.029 -3.749 10.730 1.00 0.00 C ATOM 489 C TRP A 38 -5.888 -3.705 9.720 1.00 0.00 C ATOM 490 O TRP A 38 -4.864 -4.364 9.896 1.00 0.00 O ATOM 491 CB TRP A 38 -6.790 -2.712 11.828 1.00 0.00 C ATOM 492 CG TRP A 38 -8.044 -2.286 12.529 1.00 0.00 C ATOM 493 CD1 TRP A 38 -8.404 -2.581 13.812 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.102 -1.484 11.989 1.00 0.00 C ATOM 495 NE1 TRP A 38 -9.622 -2.016 14.102 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.071 -1.338 13.000 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.326 -0.878 10.750 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.242 -0.611 12.809 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.489 -0.156 10.562 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.435 -0.028 11.587 1.00 0.00 C ATOM 0 HA TRP A 38 -7.961 -3.514 10.216 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.095 -3.123 12.560 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.311 -1.836 11.391 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -7.817 -3.172 14.499 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.112 -2.089 14.993 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.603 -0.972 9.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.973 -0.511 13.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.672 0.318 9.609 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.335 0.542 11.409 1.00 0.00 H new ATOM 511 N LYS A 39 -6.071 -2.924 8.661 1.00 0.00 N ATOM 512 CA LYS A 39 -5.054 -2.796 7.624 1.00 0.00 C ATOM 513 C LYS A 39 -4.872 -1.337 7.218 1.00 0.00 C ATOM 514 O LYS A 39 -5.828 -0.664 6.838 1.00 0.00 O ATOM 515 CB LYS A 39 -5.431 -3.638 6.403 1.00 0.00 C ATOM 516 CG LYS A 39 -4.269 -4.436 5.834 1.00 0.00 C ATOM 517 CD LYS A 39 -4.649 -5.123 4.532 1.00 0.00 C ATOM 518 CE LYS A 39 -3.610 -6.152 4.121 1.00 0.00 C ATOM 519 NZ LYS A 39 -3.792 -6.594 2.710 1.00 0.00 N ATOM 0 H LYS A 39 -6.912 -2.371 8.498 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.110 -3.161 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.232 -4.324 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.825 -2.982 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.421 -3.773 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.949 -5.183 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.618 -5.608 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.756 -4.378 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.613 -5.729 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.673 -7.016 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.176 -7.560 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.452 -5.952 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.875 -6.579 2.220 1.00 0.00 H new ATOM 533 N VAL A 40 -3.638 -0.856 7.297 1.00 0.00 N ATOM 534 CA VAL A 40 -3.328 0.515 6.935 1.00 0.00 C ATOM 535 C VAL A 40 -3.046 0.615 5.437 1.00 0.00 C ATOM 536 O VAL A 40 -2.765 -0.391 4.786 1.00 0.00 O ATOM 537 CB VAL A 40 -2.117 1.026 7.755 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.132 1.800 6.892 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.590 1.874 8.924 1.00 0.00 C ATOM 0 H VAL A 40 -2.834 -1.400 7.610 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.189 1.143 7.166 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.590 0.154 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.299 2.140 7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.757 1.154 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.633 2.662 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.728 2.226 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.151 2.730 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.230 1.276 9.572 1.00 0.00 H new ATOM 549 N LEU A 41 -3.122 1.825 4.891 1.00 0.00 N ATOM 550 CA LEU A 41 -2.871 2.027 3.473 1.00 0.00 C ATOM 551 C LEU A 41 -2.106 3.331 3.235 1.00 0.00 C ATOM 552 O LEU A 41 -2.383 4.351 3.865 1.00 0.00 O ATOM 553 CB LEU A 41 -4.200 2.015 2.697 1.00 0.00 C ATOM 554 CG LEU A 41 -4.492 3.257 1.849 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.895 3.107 0.457 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.989 3.504 1.765 1.00 0.00 C ATOM 0 H LEU A 41 -3.354 2.674 5.407 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.249 1.210 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.209 1.143 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.014 1.887 3.411 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.028 4.118 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.113 3.999 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.815 2.979 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.329 2.235 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.178 4.390 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.475 2.642 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.389 3.658 2.767 1.00 0.00 H new ATOM 568 N ILE A 42 -1.157 3.284 2.310 1.00 0.00 N ATOM 569 CA ILE A 42 -0.353 4.450 1.958 1.00 0.00 C ATOM 570 C ILE A 42 -0.355 4.641 0.450 1.00 0.00 C ATOM 571 O ILE A 42 0.278 3.876 -0.276 1.00 0.00 O ATOM 572 CB ILE A 42 1.113 4.309 2.416 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.217 3.752 3.837 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.833 5.646 2.322 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.216 4.312 4.812 1.00 0.00 C ATOM 0 H ILE A 42 -0.922 2.442 1.784 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.799 5.305 2.466 1.00 0.00 H new ATOM 0 HB ILE A 42 1.594 3.597 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.097 2.669 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.220 3.948 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.866 5.527 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.817 5.996 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.332 6.375 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.368 3.858 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.347 5.391 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.793 4.093 4.463 1.00 0.00 H new ATOM 587 N TYR A 43 -1.068 5.651 -0.022 1.00 0.00 N ATOM 588 CA TYR A 43 -1.134 5.905 -1.456 1.00 0.00 C ATOM 589 C TYR A 43 -0.437 7.204 -1.834 1.00 0.00 C ATOM 590 O TYR A 43 -0.126 8.030 -0.977 1.00 0.00 O ATOM 591 CB TYR A 43 -2.586 5.934 -1.937 1.00 0.00 C ATOM 592 CG TYR A 43 -3.547 6.606 -0.981 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.198 7.775 -0.320 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.807 6.072 -0.746 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.074 8.394 0.549 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.690 6.683 0.122 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.319 7.845 0.768 1.00 0.00 C ATOM 598 OH TYR A 43 -6.196 8.457 1.633 1.00 0.00 O ATOM 0 H TYR A 43 -1.602 6.301 0.555 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.611 5.086 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.628 6.449 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.920 4.911 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.223 8.209 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.101 5.164 -1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.785 9.304 1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.666 6.254 0.295 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.029 7.942 1.673 1.00 0.00 H new ATOM 608 N ASP A 44 -0.198 7.371 -3.130 1.00 0.00 N ATOM 609 CA ASP A 44 0.454 8.565 -3.650 1.00 0.00 C ATOM 610 C ASP A 44 -0.462 9.266 -4.649 1.00 0.00 C ATOM 611 O ASP A 44 -1.629 8.901 -4.786 1.00 0.00 O ATOM 612 CB ASP A 44 1.778 8.198 -4.320 1.00 0.00 C ATOM 613 CG ASP A 44 2.976 8.514 -3.446 1.00 0.00 C ATOM 614 OD1 ASP A 44 3.050 9.648 -2.927 1.00 0.00 O ATOM 615 OD2 ASP A 44 3.839 7.628 -3.278 1.00 0.00 O ATOM 0 H ASP A 44 -0.449 6.687 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 44 0.659 9.242 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.778 7.135 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.867 8.738 -5.263 1.00 0.00 H new ATOM 620 N ARG A 45 0.069 10.265 -5.349 1.00 0.00 N ATOM 621 CA ARG A 45 -0.715 11.004 -6.340 1.00 0.00 C ATOM 622 C ARG A 45 -1.494 10.046 -7.240 1.00 0.00 C ATOM 623 O ARG A 45 -2.666 10.274 -7.543 1.00 0.00 O ATOM 624 CB ARG A 45 0.194 11.896 -7.188 1.00 0.00 C ATOM 625 CG ARG A 45 1.545 11.273 -7.497 1.00 0.00 C ATOM 626 CD ARG A 45 2.644 11.846 -6.611 1.00 0.00 C ATOM 627 NE ARG A 45 3.747 12.398 -7.395 1.00 0.00 N ATOM 628 CZ ARG A 45 4.712 11.660 -7.939 1.00 0.00 C ATOM 629 NH1 ARG A 45 4.713 10.341 -7.791 1.00 0.00 N ATOM 630 NH2 ARG A 45 5.680 12.242 -8.636 1.00 0.00 N ATOM 0 H ARG A 45 1.034 10.582 -5.251 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.426 11.634 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.312 12.129 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.350 12.841 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.489 10.194 -7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.794 11.445 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.226 12.626 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.023 11.065 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 45 3.779 13.408 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.971 9.887 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.455 9.781 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.685 13.255 -8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.419 11.676 -9.053 1.00 0.00 H new ATOM 644 N PHE A 46 -0.842 8.963 -7.650 1.00 0.00 N ATOM 645 CA PHE A 46 -1.485 7.967 -8.497 1.00 0.00 C ATOM 646 C PHE A 46 -2.353 7.045 -7.651 1.00 0.00 C ATOM 647 O PHE A 46 -3.480 6.722 -8.026 1.00 0.00 O ATOM 648 CB PHE A 46 -0.440 7.156 -9.265 1.00 0.00 C ATOM 649 CG PHE A 46 -0.360 7.511 -10.722 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.337 8.633 -11.137 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.984 6.722 -11.678 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.413 8.964 -12.477 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.912 7.048 -13.019 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.212 8.170 -13.419 1.00 0.00 C ATOM 0 H PHE A 46 0.127 8.754 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.117 8.482 -9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.537 7.311 -8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.672 6.095 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.827 9.257 -10.405 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.532 5.844 -11.371 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.960 9.842 -12.787 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.402 6.426 -13.754 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.154 8.426 -14.467 1.00 0.00 H new ATOM 664 N GLY A 47 -1.826 6.636 -6.497 1.00 0.00 N ATOM 665 CA GLY A 47 -2.573 5.764 -5.604 1.00 0.00 C ATOM 666 C GLY A 47 -3.987 6.258 -5.380 1.00 0.00 C ATOM 667 O GLY A 47 -4.941 5.485 -5.446 1.00 0.00 O ATOM 0 H GLY A 47 -0.896 6.893 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.603 4.757 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.056 5.697 -4.647 1.00 0.00 H new ATOM 671 N GLN A 48 -4.121 7.558 -5.137 1.00 0.00 N ATOM 672 CA GLN A 48 -5.429 8.166 -4.926 1.00 0.00 C ATOM 673 C GLN A 48 -6.162 8.288 -6.256 1.00 0.00 C ATOM 674 O GLN A 48 -7.390 8.233 -6.311 1.00 0.00 O ATOM 675 CB GLN A 48 -5.283 9.542 -4.273 1.00 0.00 C ATOM 676 CG GLN A 48 -4.240 10.426 -4.938 1.00 0.00 C ATOM 677 CD GLN A 48 -4.594 11.898 -4.871 1.00 0.00 C ATOM 678 OE1 GLN A 48 -5.682 12.307 -5.277 1.00 0.00 O ATOM 679 NE2 GLN A 48 -3.673 12.702 -4.355 1.00 0.00 N ATOM 0 H GLN A 48 -3.339 8.211 -5.081 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.008 7.529 -4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.247 10.050 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.019 9.410 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.275 10.266 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.130 10.130 -5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.785 12.319 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.853 13.703 -4.282 1.00 0.00 H new ATOM 688 N ASP A 49 -5.390 8.443 -7.329 1.00 0.00 N ATOM 689 CA ASP A 49 -5.944 8.560 -8.672 1.00 0.00 C ATOM 690 C ASP A 49 -6.653 7.274 -9.095 1.00 0.00 C ATOM 691 O ASP A 49 -7.338 7.242 -10.117 1.00 0.00 O ATOM 692 CB ASP A 49 -4.827 8.874 -9.671 1.00 0.00 C ATOM 693 CG ASP A 49 -5.348 9.532 -10.934 1.00 0.00 C ATOM 694 OD1 ASP A 49 -6.265 8.964 -11.564 1.00 0.00 O ATOM 695 OD2 ASP A 49 -4.839 10.614 -11.294 1.00 0.00 O ATOM 0 H ASP A 49 -4.372 8.491 -7.291 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.674 9.370 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.095 9.529 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.308 7.952 -9.933 1.00 0.00 H new ATOM 700 N ILE A 50 -6.462 6.210 -8.321 1.00 0.00 N ATOM 701 CA ILE A 50 -7.060 4.920 -8.630 1.00 0.00 C ATOM 702 C ILE A 50 -7.924 4.410 -7.485 1.00 0.00 C ATOM 703 O ILE A 50 -9.006 3.864 -7.703 1.00 0.00 O ATOM 704 CB ILE A 50 -5.957 3.894 -8.927 1.00 0.00 C ATOM 705 CG1 ILE A 50 -5.052 4.418 -10.040 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.546 2.541 -9.292 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.582 4.298 -9.722 1.00 0.00 C ATOM 0 H ILE A 50 -5.895 6.218 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.697 5.052 -9.504 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.360 3.753 -8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.264 3.870 -10.958 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.291 5.464 -10.230 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.740 1.836 -9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.149 2.171 -8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.172 2.644 -10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.997 4.688 -10.554 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.357 4.869 -8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.329 3.250 -9.560 1.00 0.00 H new ATOM 719 N ILE A 51 -7.438 4.582 -6.264 1.00 0.00 N ATOM 720 CA ILE A 51 -8.169 4.130 -5.088 1.00 0.00 C ATOM 721 C ILE A 51 -9.506 4.860 -4.964 1.00 0.00 C ATOM 722 O ILE A 51 -10.535 4.244 -4.700 1.00 0.00 O ATOM 723 CB ILE A 51 -7.330 4.307 -3.792 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.408 3.042 -2.932 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.777 5.524 -2.987 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.084 2.655 -2.306 1.00 0.00 C ATOM 0 H ILE A 51 -6.544 5.030 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.366 3.066 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.295 4.474 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.144 3.194 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.766 2.216 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.165 5.611 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.663 6.423 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.823 5.408 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.213 1.751 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.350 2.471 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.734 3.464 -1.665 1.00 0.00 H new ATOM 738 N SER A 52 -9.482 6.173 -5.154 1.00 0.00 N ATOM 739 CA SER A 52 -10.692 6.984 -5.057 1.00 0.00 C ATOM 740 C SER A 52 -11.742 6.565 -6.090 1.00 0.00 C ATOM 741 O SER A 52 -12.860 6.198 -5.731 1.00 0.00 O ATOM 742 CB SER A 52 -10.350 8.466 -5.231 1.00 0.00 C ATOM 743 OG SER A 52 -11.031 9.262 -4.277 1.00 0.00 O ATOM 0 H SER A 52 -8.638 6.701 -5.376 1.00 0.00 H new ATOM 0 HA SER A 52 -11.117 6.823 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.274 8.609 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.619 8.789 -6.237 1.00 0.00 H new ATOM 0 HG SER A 52 -10.794 10.204 -4.408 1.00 0.00 H new ATOM 749 N PRO A 53 -11.410 6.621 -7.394 1.00 0.00 N ATOM 750 CA PRO A 53 -12.347 6.252 -8.460 1.00 0.00 C ATOM 751 C PRO A 53 -13.048 4.919 -8.199 1.00 0.00 C ATOM 752 O PRO A 53 -14.129 4.665 -8.732 1.00 0.00 O ATOM 753 CB PRO A 53 -11.470 6.161 -9.720 1.00 0.00 C ATOM 754 CG PRO A 53 -10.058 6.346 -9.261 1.00 0.00 C ATOM 755 CD PRO A 53 -10.119 7.056 -7.939 1.00 0.00 C ATOM 0 HA PRO A 53 -13.153 6.981 -8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.596 5.197 -10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.748 6.928 -10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.556 5.384 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.489 6.928 -9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.290 6.773 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.075 8.138 -8.059 1.00 0.00 H new ATOM 763 N LEU A 54 -12.432 4.070 -7.382 1.00 0.00 N ATOM 764 CA LEU A 54 -13.008 2.767 -7.061 1.00 0.00 C ATOM 765 C LEU A 54 -13.183 2.591 -5.552 1.00 0.00 C ATOM 766 O LEU A 54 -13.444 1.486 -5.076 1.00 0.00 O ATOM 767 CB LEU A 54 -12.118 1.650 -7.605 1.00 0.00 C ATOM 768 CG LEU A 54 -11.586 1.874 -9.022 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.171 1.333 -9.153 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.506 1.223 -10.042 1.00 0.00 C ATOM 0 H LEU A 54 -11.537 4.259 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.991 2.714 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.270 1.522 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.682 0.717 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.560 2.946 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.810 1.501 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.519 1.845 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.169 0.264 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.114 1.391 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.563 0.152 -9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.502 1.659 -9.964 1.00 0.00 H new ATOM 782 N LEU A 55 -13.017 3.677 -4.800 1.00 0.00 N ATOM 783 CA LEU A 55 -13.136 3.625 -3.351 1.00 0.00 C ATOM 784 C LEU A 55 -13.335 5.018 -2.754 1.00 0.00 C ATOM 785 O LEU A 55 -13.004 6.024 -3.376 1.00 0.00 O ATOM 786 CB LEU A 55 -11.879 2.987 -2.776 1.00 0.00 C ATOM 787 CG LEU A 55 -12.122 1.954 -1.691 1.00 0.00 C ATOM 788 CD1 LEU A 55 -10.951 0.993 -1.617 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.348 2.650 -0.364 1.00 0.00 C ATOM 0 H LEU A 55 -12.800 4.601 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.012 3.030 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.325 2.516 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.243 3.774 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.015 1.377 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.134 0.255 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.835 0.486 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.040 1.546 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.522 1.905 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.469 3.241 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.216 3.305 -0.440 1.00 0.00 H new ATOM 801 N SER A 56 -13.870 5.068 -1.537 1.00 0.00 N ATOM 802 CA SER A 56 -14.100 6.340 -0.856 1.00 0.00 C ATOM 803 C SER A 56 -13.486 6.326 0.541 1.00 0.00 C ATOM 804 O SER A 56 -13.018 5.292 1.015 1.00 0.00 O ATOM 805 CB SER A 56 -15.598 6.642 -0.771 1.00 0.00 C ATOM 806 OG SER A 56 -16.320 5.934 -1.763 1.00 0.00 O ATOM 0 H SER A 56 -14.152 4.246 -1.003 1.00 0.00 H new ATOM 0 HA SER A 56 -13.618 7.126 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.971 6.371 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.763 7.713 -0.892 1.00 0.00 H new ATOM 0 HG SER A 56 -17.281 6.028 -1.598 1.00 0.00 H new ATOM 812 N VAL A 57 -13.488 7.485 1.193 1.00 0.00 N ATOM 813 CA VAL A 57 -12.926 7.617 2.534 1.00 0.00 C ATOM 814 C VAL A 57 -13.729 6.824 3.554 1.00 0.00 C ATOM 815 O VAL A 57 -13.170 6.107 4.383 1.00 0.00 O ATOM 816 CB VAL A 57 -12.890 9.089 2.988 1.00 0.00 C ATOM 817 CG1 VAL A 57 -11.886 9.279 4.115 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.574 10.010 1.821 1.00 0.00 C ATOM 0 H VAL A 57 -13.874 8.349 0.813 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.910 7.225 2.481 1.00 0.00 H new ATOM 0 HB VAL A 57 -13.879 9.352 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.876 10.325 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.169 8.656 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.893 8.993 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.554 11.043 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.601 9.749 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.339 9.900 1.053 1.00 0.00 H new ATOM 828 N LYS A 58 -15.043 6.971 3.498 1.00 0.00 N ATOM 829 CA LYS A 58 -15.927 6.279 4.429 1.00 0.00 C ATOM 830 C LYS A 58 -15.872 4.769 4.235 1.00 0.00 C ATOM 831 O LYS A 58 -15.938 4.013 5.203 1.00 0.00 O ATOM 832 CB LYS A 58 -17.365 6.781 4.275 1.00 0.00 C ATOM 833 CG LYS A 58 -17.899 7.482 5.514 1.00 0.00 C ATOM 834 CD LYS A 58 -19.031 8.436 5.169 1.00 0.00 C ATOM 835 CE LYS A 58 -19.565 9.138 6.406 1.00 0.00 C ATOM 836 NZ LYS A 58 -20.864 9.815 6.143 1.00 0.00 N ATOM 0 H LYS A 58 -15.523 7.562 2.819 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.581 6.499 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.413 7.468 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.013 5.937 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.253 6.740 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.092 8.033 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.677 9.178 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.838 7.885 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.690 8.412 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.836 9.872 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.194 10.282 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.740 10.526 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.567 9.111 5.839 1.00 0.00 H new ATOM 850 N GLU A 59 -15.733 4.327 2.989 1.00 0.00 N ATOM 851 CA GLU A 59 -15.655 2.895 2.715 1.00 0.00 C ATOM 852 C GLU A 59 -14.320 2.357 3.209 1.00 0.00 C ATOM 853 O GLU A 59 -14.224 1.216 3.660 1.00 0.00 O ATOM 854 CB GLU A 59 -15.832 2.581 1.221 1.00 0.00 C ATOM 855 CG GLU A 59 -16.288 3.758 0.376 1.00 0.00 C ATOM 856 CD GLU A 59 -16.715 3.343 -1.018 1.00 0.00 C ATOM 857 OE1 GLU A 59 -15.948 2.615 -1.682 1.00 0.00 O ATOM 858 OE2 GLU A 59 -17.818 3.747 -1.445 1.00 0.00 O ATOM 0 H GLU A 59 -15.673 4.927 2.166 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.473 2.407 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.885 2.213 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.557 1.773 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.120 4.257 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.478 4.484 0.303 1.00 0.00 H new ATOM 865 N LEU A 60 -13.293 3.202 3.137 1.00 0.00 N ATOM 866 CA LEU A 60 -11.963 2.829 3.595 1.00 0.00 C ATOM 867 C LEU A 60 -12.012 2.381 5.048 1.00 0.00 C ATOM 868 O LEU A 60 -11.539 1.299 5.392 1.00 0.00 O ATOM 869 CB LEU A 60 -11.001 4.007 3.443 1.00 0.00 C ATOM 870 CG LEU A 60 -10.361 4.137 2.065 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.093 5.596 1.729 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.080 3.325 2.003 1.00 0.00 C ATOM 0 H LEU A 60 -13.360 4.149 2.765 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.605 2.001 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.539 4.928 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.211 3.911 4.187 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.056 3.745 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.636 5.664 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.032 6.149 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.418 6.022 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.633 3.426 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.381 3.689 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.305 2.276 2.194 1.00 0.00 H new ATOM 884 N ARG A 61 -12.600 3.218 5.895 1.00 0.00 N ATOM 885 CA ARG A 61 -12.719 2.902 7.312 1.00 0.00 C ATOM 886 C ARG A 61 -13.741 1.791 7.539 1.00 0.00 C ATOM 887 O ARG A 61 -13.701 1.096 8.554 1.00 0.00 O ATOM 888 CB ARG A 61 -13.124 4.149 8.101 1.00 0.00 C ATOM 889 CG ARG A 61 -12.164 5.316 7.932 1.00 0.00 C ATOM 890 CD ARG A 61 -11.189 5.409 9.094 1.00 0.00 C ATOM 891 NE ARG A 61 -11.874 5.603 10.371 1.00 0.00 N ATOM 892 CZ ARG A 61 -11.267 6.006 11.484 1.00 0.00 C ATOM 893 NH1 ARG A 61 -9.963 6.258 11.484 1.00 0.00 N ATOM 894 NH2 ARG A 61 -11.964 6.158 12.602 1.00 0.00 N ATOM 0 H ARG A 61 -13.000 4.117 5.626 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.747 2.555 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.120 4.460 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.190 3.894 9.159 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.611 5.201 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.729 6.245 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.590 4.499 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.500 6.236 8.923 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.876 5.418 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.421 6.143 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.503 6.567 12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.966 5.966 12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.498 6.467 13.455 1.00 0.00 H new ATOM 908 N ASP A 62 -14.661 1.632 6.591 1.00 0.00 N ATOM 909 CA ASP A 62 -15.700 0.612 6.691 1.00 0.00 C ATOM 910 C ASP A 62 -15.189 -0.758 6.247 1.00 0.00 C ATOM 911 O ASP A 62 -15.760 -1.786 6.610 1.00 0.00 O ATOM 912 CB ASP A 62 -16.914 1.008 5.849 1.00 0.00 C ATOM 913 CG ASP A 62 -18.224 0.607 6.498 1.00 0.00 C ATOM 914 OD1 ASP A 62 -18.388 -0.592 6.811 1.00 0.00 O ATOM 915 OD2 ASP A 62 -19.085 1.490 6.694 1.00 0.00 O ATOM 0 H ASP A 62 -14.708 2.198 5.744 1.00 0.00 H new ATOM 0 HA ASP A 62 -15.991 0.541 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.906 2.086 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.840 0.540 4.867 1.00 0.00 H new ATOM 920 N MET A 63 -14.114 -0.773 5.461 1.00 0.00 N ATOM 921 CA MET A 63 -13.545 -2.027 4.979 1.00 0.00 C ATOM 922 C MET A 63 -12.598 -2.630 6.006 1.00 0.00 C ATOM 923 O MET A 63 -12.302 -3.824 5.965 1.00 0.00 O ATOM 924 CB MET A 63 -12.788 -1.795 3.676 1.00 0.00 C ATOM 925 CG MET A 63 -13.669 -1.785 2.439 1.00 0.00 C ATOM 926 SD MET A 63 -12.738 -1.432 0.935 1.00 0.00 S ATOM 927 CE MET A 63 -11.595 -0.189 1.534 1.00 0.00 C ATOM 0 H MET A 63 -13.623 0.064 5.147 1.00 0.00 H new ATOM 0 HA MET A 63 -14.368 -2.722 4.809 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.260 -0.844 3.740 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.032 -2.573 3.564 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.162 -2.752 2.339 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.454 -1.038 2.561 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.097 0.285 0.688 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.141 0.564 2.102 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.851 -0.659 2.177 1.00 0.00 H new ATOM 937 N GLY A 64 -12.119 -1.799 6.924 1.00 0.00 N ATOM 938 CA GLY A 64 -11.205 -2.275 7.940 1.00 0.00 C ATOM 939 C GLY A 64 -9.863 -1.576 7.889 1.00 0.00 C ATOM 940 O GLY A 64 -8.824 -2.200 8.103 1.00 0.00 O ATOM 0 H GLY A 64 -12.348 -0.807 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.651 -2.126 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.057 -3.348 7.816 1.00 0.00 H new ATOM 944 N ILE A 65 -9.878 -0.276 7.609 1.00 0.00 N ATOM 945 CA ILE A 65 -8.647 0.496 7.538 1.00 0.00 C ATOM 946 C ILE A 65 -8.399 1.256 8.839 1.00 0.00 C ATOM 947 O ILE A 65 -9.272 1.966 9.335 1.00 0.00 O ATOM 948 CB ILE A 65 -8.652 1.470 6.336 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.303 1.431 5.628 1.00 0.00 C ATOM 950 CG2 ILE A 65 -8.987 2.896 6.760 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.241 2.324 4.409 1.00 0.00 C ATOM 0 H ILE A 65 -10.726 0.261 7.429 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.832 -0.212 7.391 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.432 1.144 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.524 1.730 6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.087 0.405 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.980 3.547 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.975 2.916 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.246 3.246 7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.254 2.249 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.998 2.011 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.426 3.357 4.705 1.00 0.00 H new ATOM 963 N THR A 66 -7.203 1.091 9.387 1.00 0.00 N ATOM 964 CA THR A 66 -6.837 1.749 10.637 1.00 0.00 C ATOM 965 C THR A 66 -6.223 3.127 10.391 1.00 0.00 C ATOM 966 O THR A 66 -6.123 3.937 11.311 1.00 0.00 O ATOM 967 CB THR A 66 -5.861 0.878 11.431 1.00 0.00 C ATOM 968 OG1 THR A 66 -5.206 1.640 12.430 1.00 0.00 O ATOM 969 CG2 THR A 66 -4.793 0.236 10.571 1.00 0.00 C ATOM 0 H THR A 66 -6.468 0.507 8.987 1.00 0.00 H new ATOM 0 HA THR A 66 -7.751 1.886 11.215 1.00 0.00 H new ATOM 0 HB THR A 66 -6.472 0.090 11.871 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.588 1.065 12.927 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.136 -0.367 11.197 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.263 -0.400 9.821 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.210 1.012 10.075 1.00 0.00 H new ATOM 977 N LEU A 67 -5.809 3.395 9.152 1.00 0.00 N ATOM 978 CA LEU A 67 -5.205 4.682 8.822 1.00 0.00 C ATOM 979 C LEU A 67 -4.824 4.747 7.347 1.00 0.00 C ATOM 980 O LEU A 67 -4.277 3.795 6.789 1.00 0.00 O ATOM 981 CB LEU A 67 -3.974 4.926 9.712 1.00 0.00 C ATOM 982 CG LEU A 67 -2.953 5.955 9.205 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.092 5.365 8.097 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.649 7.223 8.727 1.00 0.00 C ATOM 0 H LEU A 67 -5.880 2.745 8.369 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.938 5.466 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.322 5.246 10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.460 3.975 9.850 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.302 6.219 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.377 6.113 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.554 4.496 8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.727 5.063 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.904 7.936 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.332 6.978 7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.209 7.663 9.552 1.00 0.00 H new ATOM 996 N HIS A 68 -5.108 5.887 6.731 1.00 0.00 N ATOM 997 CA HIS A 68 -4.792 6.105 5.325 1.00 0.00 C ATOM 998 C HIS A 68 -4.196 7.496 5.128 1.00 0.00 C ATOM 999 O HIS A 68 -4.798 8.494 5.523 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.045 5.947 4.462 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.264 6.602 5.040 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -7.264 7.886 5.543 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -8.528 6.142 5.191 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.474 8.187 5.978 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -9.259 7.146 5.776 1.00 0.00 N ATOM 0 H HIS A 68 -5.560 6.680 7.186 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.060 5.358 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.851 6.368 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.247 4.885 4.321 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -6.455 8.507 5.574 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.893 5.167 4.905 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.770 9.125 6.423 1.00 0.00 H new ATOM 1014 N LEU A 69 -3.010 7.567 4.527 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.367 8.857 4.308 1.00 0.00 C ATOM 1016 C LEU A 69 -1.408 8.834 3.115 1.00 0.00 C ATOM 1017 O LEU A 69 -1.087 7.774 2.570 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.655 9.319 5.591 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.234 8.788 5.819 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.143 7.300 5.516 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.764 9.572 4.982 1.00 0.00 C ATOM 0 H LEU A 69 -2.484 6.761 4.189 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.147 9.578 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.614 10.408 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.268 9.028 6.444 1.00 0.00 H new ATOM 0 HG LEU A 69 0.012 8.924 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.877 6.955 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.825 6.754 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.415 7.123 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.768 9.184 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.512 9.471 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.728 10.624 5.264 1.00 0.00 H new ATOM 1033 N LEU A 70 -0.980 10.028 2.710 1.00 0.00 N ATOM 1034 CA LEU A 70 -0.075 10.203 1.577 1.00 0.00 C ATOM 1035 C LEU A 70 1.385 10.059 1.988 1.00 0.00 C ATOM 1036 O LEU A 70 1.828 10.674 2.957 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.268 11.598 0.973 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.167 11.680 -0.258 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -1.060 13.061 -0.887 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -0.799 10.605 -1.269 1.00 0.00 C ATOM 0 H LEU A 70 -1.252 10.903 3.159 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.312 9.426 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.680 12.251 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.712 11.996 0.709 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.198 11.512 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.704 13.112 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.371 13.815 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.028 13.247 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.453 10.683 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.237 10.739 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.917 9.622 -0.814 1.00 0.00 H new ATOM 1052 N LEU A 71 2.145 9.286 1.222 1.00 0.00 N ATOM 1053 CA LEU A 71 3.567 9.112 1.500 1.00 0.00 C ATOM 1054 C LEU A 71 4.246 10.471 1.657 1.00 0.00 C ATOM 1055 O LEU A 71 5.285 10.592 2.306 1.00 0.00 O ATOM 1056 CB LEU A 71 4.238 8.322 0.377 1.00 0.00 C ATOM 1057 CG LEU A 71 4.191 6.806 0.551 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.134 6.197 -0.349 1.00 0.00 C ATOM 1059 CD2 LEU A 71 5.546 6.189 0.262 1.00 0.00 C ATOM 0 H LEU A 71 1.805 8.773 0.409 1.00 0.00 H new ATOM 0 HA LEU A 71 3.670 8.555 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.760 8.581 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.280 8.634 0.303 1.00 0.00 H new ATOM 0 HG LEU A 71 3.929 6.593 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.117 5.116 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.158 6.611 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.366 6.425 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.489 5.108 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.838 6.416 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.286 6.599 0.949 1.00 0.00 H new ATOM 1071 N HIS A 72 3.638 11.489 1.055 1.00 0.00 N ATOM 1072 CA HIS A 72 4.156 12.847 1.113 1.00 0.00 C ATOM 1073 C HIS A 72 3.450 13.651 2.198 1.00 0.00 C ATOM 1074 O HIS A 72 3.180 14.841 2.028 1.00 0.00 O ATOM 1075 CB HIS A 72 3.968 13.529 -0.239 1.00 0.00 C ATOM 1076 CG HIS A 72 4.981 14.594 -0.521 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.990 15.334 -1.686 1.00 0.00 N ATOM 1078 CD2 HIS A 72 6.023 15.045 0.217 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.995 16.193 -1.651 1.00 0.00 C ATOM 1080 NE2 HIS A 72 6.635 16.038 -0.508 1.00 0.00 N ATOM 0 H HIS A 72 2.777 11.394 0.517 1.00 0.00 H new ATOM 0 HA HIS A 72 5.218 12.801 1.354 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.017 12.776 -1.026 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.971 13.968 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.318 14.690 1.193 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.249 16.901 -2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.453 16.570 -0.210 1.00 0.00 H new ATOM 1089 N SER A 73 3.154 12.995 3.311 1.00 0.00 N ATOM 1090 CA SER A 73 2.479 13.645 4.426 1.00 0.00 C ATOM 1091 C SER A 73 2.882 13.004 5.750 1.00 0.00 C ATOM 1092 O SER A 73 3.419 11.896 5.774 1.00 0.00 O ATOM 1093 CB SER A 73 0.962 13.566 4.249 1.00 0.00 C ATOM 1094 OG SER A 73 0.543 14.282 3.100 1.00 0.00 O ATOM 0 H SER A 73 3.371 12.011 3.466 1.00 0.00 H new ATOM 0 HA SER A 73 2.780 14.692 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.657 12.523 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.468 13.970 5.133 1.00 0.00 H new ATOM 0 HG SER A 73 -0.430 14.214 3.009 1.00 0.00 H new ATOM 1100 N ASP A 74 2.617 13.702 6.849 1.00 0.00 N ATOM 1101 CA ASP A 74 2.952 13.192 8.173 1.00 0.00 C ATOM 1102 C ASP A 74 2.269 11.852 8.422 1.00 0.00 C ATOM 1103 O ASP A 74 1.071 11.796 8.700 1.00 0.00 O ATOM 1104 CB ASP A 74 2.544 14.193 9.252 1.00 0.00 C ATOM 1105 CG ASP A 74 3.098 15.582 8.993 1.00 0.00 C ATOM 1106 OD1 ASP A 74 2.519 16.305 8.156 1.00 0.00 O ATOM 1107 OD2 ASP A 74 4.110 15.944 9.628 1.00 0.00 O ATOM 0 H ASP A 74 2.172 14.620 6.849 1.00 0.00 H new ATOM 0 HA ASP A 74 4.032 13.048 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.456 14.243 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.894 13.840 10.222 1.00 0.00 H new ATOM 1112 N ARG A 75 3.038 10.775 8.316 1.00 0.00 N ATOM 1113 CA ARG A 75 2.507 9.435 8.525 1.00 0.00 C ATOM 1114 C ARG A 75 2.165 9.203 9.990 1.00 0.00 C ATOM 1115 O ARG A 75 2.590 9.953 10.868 1.00 0.00 O ATOM 1116 CB ARG A 75 3.514 8.380 8.060 1.00 0.00 C ATOM 1117 CG ARG A 75 3.285 7.905 6.637 1.00 0.00 C ATOM 1118 CD ARG A 75 4.518 7.220 6.074 1.00 0.00 C ATOM 1119 NE ARG A 75 4.928 7.804 4.800 1.00 0.00 N ATOM 1120 CZ ARG A 75 6.196 7.901 4.398 1.00 0.00 C ATOM 1121 NH1 ARG A 75 7.183 7.453 5.164 1.00 0.00 N ATOM 1122 NH2 ARG A 75 6.477 8.447 3.223 1.00 0.00 N ATOM 0 H ARG A 75 4.031 10.804 8.086 1.00 0.00 H new ATOM 0 HA ARG A 75 1.594 9.345 7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.520 8.791 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.466 7.523 8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.442 7.215 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.020 8.754 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.336 7.298 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.314 6.158 5.938 1.00 0.00 H new ATOM 0 HE ARG A 75 4.200 8.159 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.975 7.030 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.150 7.532 4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.724 8.792 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.446 8.522 2.914 1.00 0.00 H new ATOM 1136 N ASP A 76 1.399 8.149 10.245 1.00 0.00 N ATOM 1137 CA ASP A 76 1.002 7.801 11.601 1.00 0.00 C ATOM 1138 C ASP A 76 1.678 6.500 12.028 1.00 0.00 C ATOM 1139 O ASP A 76 1.851 5.589 11.218 1.00 0.00 O ATOM 1140 CB ASP A 76 -0.519 7.662 11.691 1.00 0.00 C ATOM 1141 CG ASP A 76 -1.049 8.002 13.070 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -1.328 9.194 13.321 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -1.186 7.078 13.898 1.00 0.00 O ATOM 0 H ASP A 76 1.040 7.520 9.527 1.00 0.00 H new ATOM 0 HA ASP A 76 1.318 8.599 12.274 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.985 8.316 10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.804 6.641 11.437 1.00 0.00 H new ATOM 1148 N PRO A 77 2.085 6.397 13.304 1.00 0.00 N ATOM 1149 CA PRO A 77 2.755 5.207 13.820 1.00 0.00 C ATOM 1150 C PRO A 77 1.784 4.120 14.273 1.00 0.00 C ATOM 1151 O PRO A 77 1.102 4.264 15.288 1.00 0.00 O ATOM 1152 CB PRO A 77 3.529 5.758 15.013 1.00 0.00 C ATOM 1153 CG PRO A 77 2.675 6.866 15.531 1.00 0.00 C ATOM 1154 CD PRO A 77 1.940 7.437 14.342 1.00 0.00 C ATOM 0 HA PRO A 77 3.369 4.722 13.062 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.688 4.991 15.771 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.513 6.121 14.715 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.974 6.497 16.279 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.283 7.631 16.014 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.892 7.627 14.574 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.373 8.385 14.022 1.00 0.00 H new ATOM 1162 N ILE A 78 1.741 3.023 13.521 1.00 0.00 N ATOM 1163 CA ILE A 78 0.869 1.899 13.850 1.00 0.00 C ATOM 1164 C ILE A 78 1.584 0.572 13.601 1.00 0.00 C ATOM 1165 O ILE A 78 1.144 -0.244 12.792 1.00 0.00 O ATOM 1166 CB ILE A 78 -0.442 1.928 13.040 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -1.080 3.314 13.106 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -1.408 0.876 13.563 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.428 4.322 12.190 1.00 0.00 C ATOM 0 H ILE A 78 2.301 2.889 12.679 1.00 0.00 H new ATOM 0 HA ILE A 78 0.621 1.992 14.907 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.211 1.703 11.999 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.136 3.232 12.849 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.029 3.680 14.131 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.330 0.907 12.982 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.955 -0.111 13.472 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.632 1.077 14.611 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.932 5.283 12.289 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.622 4.433 12.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.503 3.978 11.158 1.00 0.00 H new ATOM 1181 N ARG A 79 2.695 0.374 14.301 1.00 0.00 N ATOM 1182 CA ARG A 79 3.491 -0.843 14.163 1.00 0.00 C ATOM 1183 C ARG A 79 2.705 -2.086 14.571 1.00 0.00 C ATOM 1184 O ARG A 79 3.073 -3.204 14.216 1.00 0.00 O ATOM 1185 CB ARG A 79 4.759 -0.745 15.011 1.00 0.00 C ATOM 1186 CG ARG A 79 4.528 -0.156 16.394 1.00 0.00 C ATOM 1187 CD ARG A 79 4.948 1.304 16.457 1.00 0.00 C ATOM 1188 NE ARG A 79 6.323 1.458 16.927 1.00 0.00 N ATOM 1189 CZ ARG A 79 6.683 1.386 18.206 1.00 0.00 C ATOM 1190 NH1 ARG A 79 5.773 1.161 19.146 1.00 0.00 N ATOM 1191 NH2 ARG A 79 7.955 1.538 18.547 1.00 0.00 N ATOM 0 H ARG A 79 3.068 1.044 14.974 1.00 0.00 H new ATOM 0 HA ARG A 79 3.756 -0.938 13.110 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.192 -1.740 15.118 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.491 -0.134 14.484 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.474 -0.244 16.656 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.089 -0.729 17.133 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.850 1.752 15.468 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.275 1.847 17.121 1.00 0.00 H new ATOM 0 HE ARG A 79 7.050 1.631 16.233 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.793 1.042 18.889 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.054 1.107 20.125 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.658 1.710 17.829 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.230 1.483 19.528 1.00 0.00 H new ATOM 1205 N ASP A 80 1.636 -1.889 15.331 1.00 0.00 N ATOM 1206 CA ASP A 80 0.815 -3.004 15.797 1.00 0.00 C ATOM 1207 C ASP A 80 -0.271 -3.380 14.788 1.00 0.00 C ATOM 1208 O ASP A 80 -1.175 -4.152 15.105 1.00 0.00 O ATOM 1209 CB ASP A 80 0.172 -2.657 17.140 1.00 0.00 C ATOM 1210 CG ASP A 80 1.200 -2.345 18.211 1.00 0.00 C ATOM 1211 OD1 ASP A 80 2.215 -3.068 18.288 1.00 0.00 O ATOM 1212 OD2 ASP A 80 0.988 -1.377 18.972 1.00 0.00 O ATOM 0 H ASP A 80 1.316 -0.971 15.639 1.00 0.00 H new ATOM 0 HA ASP A 80 1.473 -3.865 15.913 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.488 -1.799 17.013 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.449 -3.490 17.468 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.191 -2.833 13.576 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.182 -3.123 12.548 1.00 0.00 C ATOM 1219 C VAL A 81 -0.546 -3.189 11.158 1.00 0.00 C ATOM 1220 O VAL A 81 0.186 -2.280 10.762 1.00 0.00 O ATOM 1221 CB VAL A 81 -2.283 -2.048 12.539 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.381 -2.400 11.546 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -2.856 -1.859 13.935 1.00 0.00 C ATOM 0 H VAL A 81 0.546 -2.191 13.286 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.615 -4.095 12.785 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.835 -1.106 12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.146 -1.624 11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.956 -2.473 10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.828 -3.355 11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.633 -1.095 13.909 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.283 -2.799 14.283 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.063 -1.547 14.615 1.00 0.00 H new ATOM 1233 N PRO A 82 -0.822 -4.262 10.389 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.277 -4.421 9.036 1.00 0.00 C ATOM 1235 C PRO A 82 -0.679 -3.264 8.126 1.00 0.00 C ATOM 1236 O PRO A 82 -1.862 -2.951 7.994 1.00 0.00 O ATOM 1237 CB PRO A 82 -0.896 -5.736 8.540 1.00 0.00 C ATOM 1238 CG PRO A 82 -2.060 -5.984 9.437 1.00 0.00 C ATOM 1239 CD PRO A 82 -1.688 -5.391 10.765 1.00 0.00 C ATOM 0 HA PRO A 82 0.813 -4.432 9.033 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.211 -5.655 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.177 -6.554 8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.964 -5.521 9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.263 -7.051 9.528 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.566 -5.060 11.320 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.164 -6.109 11.396 1.00 0.00 H new ATOM 1247 N ALA A 83 0.310 -2.621 7.515 1.00 0.00 N ATOM 1248 CA ALA A 83 0.049 -1.487 6.635 1.00 0.00 C ATOM 1249 C ALA A 83 0.099 -1.877 5.162 1.00 0.00 C ATOM 1250 O ALA A 83 0.520 -2.977 4.806 1.00 0.00 O ATOM 1251 CB ALA A 83 1.043 -0.371 6.911 1.00 0.00 C ATOM 0 H ALA A 83 1.296 -2.864 7.612 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.962 -1.138 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.839 0.470 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.949 -0.048 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.056 -0.734 6.735 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.335 -0.948 4.318 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.354 -1.147 2.876 1.00 0.00 C ATOM 1259 C VAL A 84 0.185 0.092 2.174 1.00 0.00 C ATOM 1260 O VAL A 84 -0.068 1.210 2.608 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.784 -1.426 2.368 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.788 -1.728 0.878 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.414 -2.563 3.155 1.00 0.00 C ATOM 0 H VAL A 84 -0.683 -0.036 4.615 1.00 0.00 H new ATOM 0 HA VAL A 84 0.273 -2.010 2.652 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.381 -0.528 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.809 -1.921 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.386 -0.874 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.172 -2.606 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.422 -2.747 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.813 -3.465 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.459 -2.294 4.210 1.00 0.00 H new ATOM 1273 N TYR A 85 0.931 -0.107 1.096 1.00 0.00 N ATOM 1274 CA TYR A 85 1.497 1.008 0.349 1.00 0.00 C ATOM 1275 C TYR A 85 1.217 0.859 -1.144 1.00 0.00 C ATOM 1276 O TYR A 85 1.937 0.153 -1.850 1.00 0.00 O ATOM 1277 CB TYR A 85 3.003 1.084 0.579 1.00 0.00 C ATOM 1278 CG TYR A 85 3.413 1.800 1.845 1.00 0.00 C ATOM 1279 CD1 TYR A 85 3.050 1.313 3.096 1.00 0.00 C ATOM 1280 CD2 TYR A 85 4.178 2.957 1.787 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.443 1.959 4.254 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.570 3.610 2.940 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.204 3.106 4.170 1.00 0.00 C ATOM 1284 OH TYR A 85 4.596 3.753 5.318 1.00 0.00 O ATOM 0 H TYR A 85 1.158 -1.028 0.720 1.00 0.00 H new ATOM 0 HA TYR A 85 1.028 1.926 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.405 0.071 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.462 1.588 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.452 0.416 3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.471 3.353 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.156 1.567 5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.161 4.512 2.878 1.00 0.00 H new ATOM 0 HH TYR A 85 4.466 3.161 6.088 1.00 0.00 H new ATOM 1294 N PHE A 86 0.176 1.530 -1.623 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.183 1.472 -3.036 1.00 0.00 C ATOM 1296 C PHE A 86 0.224 2.765 -3.738 1.00 0.00 C ATOM 1297 O PHE A 86 -0.550 3.721 -3.799 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.688 1.209 -3.189 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.271 1.686 -4.489 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.595 1.489 -5.680 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.496 2.329 -4.516 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -2.131 1.924 -6.874 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -4.037 2.766 -5.707 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.352 2.563 -6.886 1.00 0.00 C ATOM 0 H PHE A 86 -0.433 2.119 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 86 0.355 0.649 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.869 0.138 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.215 1.695 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.638 0.989 -5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.035 2.490 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.595 1.764 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.994 3.266 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.773 2.905 -7.820 1.00 0.00 H new ATOM 1314 N VAL A 87 1.450 2.788 -4.257 1.00 0.00 N ATOM 1315 CA VAL A 87 1.973 3.965 -4.941 1.00 0.00 C ATOM 1316 C VAL A 87 2.886 3.584 -6.103 1.00 0.00 C ATOM 1317 O VAL A 87 3.156 2.411 -6.337 1.00 0.00 O ATOM 1318 CB VAL A 87 2.753 4.870 -3.973 1.00 0.00 C ATOM 1319 CG1 VAL A 87 1.854 5.324 -2.837 1.00 0.00 C ATOM 1320 CG2 VAL A 87 3.981 4.152 -3.438 1.00 0.00 C ATOM 0 H VAL A 87 2.099 2.003 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 87 1.110 4.506 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 87 3.090 5.752 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.419 5.964 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.009 5.881 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.487 4.454 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.518 4.810 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.673 3.251 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.633 3.879 -4.268 1.00 0.00 H new ATOM 1330 N MET A 88 3.354 4.590 -6.829 1.00 0.00 N ATOM 1331 CA MET A 88 4.242 4.372 -7.965 1.00 0.00 C ATOM 1332 C MET A 88 5.653 4.047 -7.484 1.00 0.00 C ATOM 1333 O MET A 88 6.044 4.446 -6.390 1.00 0.00 O ATOM 1334 CB MET A 88 4.263 5.621 -8.846 1.00 0.00 C ATOM 1335 CG MET A 88 4.741 5.367 -10.265 1.00 0.00 C ATOM 1336 SD MET A 88 4.016 6.512 -11.448 1.00 0.00 S ATOM 1337 CE MET A 88 2.279 6.202 -11.159 1.00 0.00 C ATOM 0 H MET A 88 3.133 5.570 -6.651 1.00 0.00 H new ATOM 0 HA MET A 88 3.872 3.527 -8.546 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.259 6.045 -8.882 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.908 6.368 -8.384 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.827 5.452 -10.300 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.491 4.346 -10.552 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.701 6.541 -12.018 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.119 5.134 -11.013 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.956 6.742 -10.269 1.00 0.00 H new ATOM 1347 N PRO A 89 6.445 3.315 -8.286 1.00 0.00 N ATOM 1348 CA PRO A 89 7.802 2.951 -7.923 1.00 0.00 C ATOM 1349 C PRO A 89 8.823 3.958 -8.428 1.00 0.00 C ATOM 1350 O PRO A 89 9.877 3.584 -8.941 1.00 0.00 O ATOM 1351 CB PRO A 89 7.988 1.609 -8.621 1.00 0.00 C ATOM 1352 CG PRO A 89 7.078 1.647 -9.813 1.00 0.00 C ATOM 1353 CD PRO A 89 6.088 2.773 -9.605 1.00 0.00 C ATOM 0 HA PRO A 89 7.949 2.917 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.025 1.465 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.732 0.783 -7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.651 1.807 -10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.557 0.696 -9.926 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.173 3.530 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.060 2.411 -9.624 1.00 0.00 H new ATOM 1361 N THR A 90 8.508 5.238 -8.280 1.00 0.00 N ATOM 1362 CA THR A 90 9.409 6.288 -8.727 1.00 0.00 C ATOM 1363 C THR A 90 10.507 6.525 -7.696 1.00 0.00 C ATOM 1364 O THR A 90 10.341 6.211 -6.518 1.00 0.00 O ATOM 1365 CB THR A 90 8.642 7.585 -8.995 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.563 8.381 -7.828 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.230 7.364 -9.499 1.00 0.00 C ATOM 0 H THR A 90 7.642 5.571 -7.857 1.00 0.00 H new ATOM 0 HA THR A 90 9.871 5.964 -9.660 1.00 0.00 H new ATOM 0 HB THR A 90 9.211 8.089 -9.776 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.756 8.145 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.749 8.327 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.261 6.806 -10.435 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.664 6.799 -8.758 1.00 0.00 H new ATOM 1375 N GLU A 91 11.633 7.073 -8.153 1.00 0.00 N ATOM 1376 CA GLU A 91 12.776 7.349 -7.279 1.00 0.00 C ATOM 1377 C GLU A 91 12.326 7.879 -5.922 1.00 0.00 C ATOM 1378 O GLU A 91 12.755 7.389 -4.877 1.00 0.00 O ATOM 1379 CB GLU A 91 13.723 8.357 -7.936 1.00 0.00 C ATOM 1380 CG GLU A 91 13.921 8.128 -9.425 1.00 0.00 C ATOM 1381 CD GLU A 91 15.336 8.429 -9.878 1.00 0.00 C ATOM 1382 OE1 GLU A 91 16.281 7.854 -9.296 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.501 9.239 -10.813 1.00 0.00 O ATOM 0 H GLU A 91 11.779 7.336 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 91 13.302 6.407 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.333 9.363 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.692 8.310 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.679 7.093 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.224 8.755 -9.981 1.00 0.00 H new ATOM 1390 N GLU A 92 11.453 8.880 -5.945 1.00 0.00 N ATOM 1391 CA GLU A 92 10.939 9.472 -4.714 1.00 0.00 C ATOM 1392 C GLU A 92 10.202 8.427 -3.886 1.00 0.00 C ATOM 1393 O GLU A 92 10.423 8.302 -2.681 1.00 0.00 O ATOM 1394 CB GLU A 92 10.004 10.642 -5.029 1.00 0.00 C ATOM 1395 CG GLU A 92 10.486 11.520 -6.172 1.00 0.00 C ATOM 1396 CD GLU A 92 9.941 12.933 -6.094 1.00 0.00 C ATOM 1397 OE1 GLU A 92 10.147 13.592 -5.053 1.00 0.00 O ATOM 1398 OE2 GLU A 92 9.308 13.380 -7.073 1.00 0.00 O ATOM 0 H GLU A 92 11.087 9.298 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 92 11.786 9.845 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.017 10.250 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.890 11.255 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.575 11.554 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.188 11.072 -7.120 1.00 0.00 H new ATOM 1405 N ASN A 93 9.329 7.673 -4.544 1.00 0.00 N ATOM 1406 CA ASN A 93 8.560 6.629 -3.877 1.00 0.00 C ATOM 1407 C ASN A 93 9.488 5.594 -3.258 1.00 0.00 C ATOM 1408 O ASN A 93 9.308 5.186 -2.111 1.00 0.00 O ATOM 1409 CB ASN A 93 7.617 5.956 -4.868 1.00 0.00 C ATOM 1410 CG ASN A 93 6.609 6.934 -5.446 1.00 0.00 C ATOM 1411 OD1 ASN A 93 6.979 7.964 -6.006 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.327 6.622 -5.304 1.00 0.00 N ATOM 0 H ASN A 93 9.136 7.766 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 93 7.972 7.089 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 93 8.197 5.512 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.089 5.142 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.607 7.247 -5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.062 5.757 -4.833 1.00 0.00 H new ATOM 1419 N ILE A 94 10.484 5.177 -4.030 1.00 0.00 N ATOM 1420 CA ILE A 94 11.454 4.192 -3.569 1.00 0.00 C ATOM 1421 C ILE A 94 12.135 4.664 -2.291 1.00 0.00 C ATOM 1422 O ILE A 94 12.375 3.876 -1.374 1.00 0.00 O ATOM 1423 CB ILE A 94 12.524 3.902 -4.645 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.890 3.697 -6.031 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.353 2.691 -4.255 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.475 3.153 -6.004 1.00 0.00 C ATOM 0 H ILE A 94 10.641 5.507 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 94 10.907 3.271 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 94 13.178 4.772 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.889 4.650 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.517 3.015 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.102 2.500 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.850 2.881 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.703 1.821 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.109 3.041 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.468 2.183 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.830 3.844 -5.461 1.00 0.00 H new ATOM 1438 N ASP A 95 12.429 5.958 -2.228 1.00 0.00 N ATOM 1439 CA ASP A 95 13.066 6.537 -1.053 1.00 0.00 C ATOM 1440 C ASP A 95 12.085 6.584 0.115 1.00 0.00 C ATOM 1441 O ASP A 95 12.485 6.583 1.278 1.00 0.00 O ATOM 1442 CB ASP A 95 13.579 7.943 -1.363 1.00 0.00 C ATOM 1443 CG ASP A 95 14.855 7.927 -2.180 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.685 7.017 -1.968 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.025 8.822 -3.034 1.00 0.00 O ATOM 0 H ASP A 95 12.236 6.624 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 95 13.912 5.908 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.811 8.495 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.756 8.476 -0.429 1.00 0.00 H new ATOM 1450 N ARG A 96 10.793 6.620 -0.209 1.00 0.00 N ATOM 1451 CA ARG A 96 9.750 6.662 0.807 1.00 0.00 C ATOM 1452 C ARG A 96 9.626 5.314 1.506 1.00 0.00 C ATOM 1453 O ARG A 96 9.459 5.249 2.724 1.00 0.00 O ATOM 1454 CB ARG A 96 8.413 7.052 0.176 1.00 0.00 C ATOM 1455 CG ARG A 96 8.452 8.390 -0.548 1.00 0.00 C ATOM 1456 CD ARG A 96 7.726 9.474 0.231 1.00 0.00 C ATOM 1457 NE ARG A 96 6.900 10.310 -0.637 1.00 0.00 N ATOM 1458 CZ ARG A 96 7.391 11.141 -1.552 1.00 0.00 C ATOM 1459 NH1 ARG A 96 8.704 11.250 -1.724 1.00 0.00 N ATOM 1460 NH2 ARG A 96 6.570 11.865 -2.299 1.00 0.00 N ATOM 0 H ARG A 96 10.447 6.621 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 96 10.023 7.412 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.112 6.276 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.650 7.091 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.489 8.688 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.997 8.284 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.099 9.014 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.454 10.098 0.749 1.00 0.00 H new ATOM 0 HE ARG A 96 5.887 10.253 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.341 10.695 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.075 11.889 -2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.561 11.785 -2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.947 12.502 -3.001 1.00 0.00 H new ATOM 1474 N LEU A 97 9.719 4.235 0.732 1.00 0.00 N ATOM 1475 CA LEU A 97 9.629 2.890 1.287 1.00 0.00 C ATOM 1476 C LEU A 97 10.742 2.669 2.300 1.00 0.00 C ATOM 1477 O LEU A 97 10.524 2.088 3.362 1.00 0.00 O ATOM 1478 CB LEU A 97 9.716 1.840 0.174 1.00 0.00 C ATOM 1479 CG LEU A 97 8.429 1.622 -0.631 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.216 1.562 0.285 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.259 2.718 -1.670 1.00 0.00 C ATOM 0 H LEU A 97 9.856 4.267 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 97 8.666 2.786 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.509 2.131 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.012 0.889 0.618 1.00 0.00 H new ATOM 0 HG LEU A 97 8.510 0.665 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.317 1.407 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.332 0.737 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.129 2.499 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.341 2.547 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.205 3.686 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.109 2.708 -2.352 1.00 0.00 H new ATOM 1493 N CYS A 98 11.933 3.151 1.964 1.00 0.00 N ATOM 1494 CA CYS A 98 13.086 3.024 2.843 1.00 0.00 C ATOM 1495 C CYS A 98 12.929 3.918 4.068 1.00 0.00 C ATOM 1496 O CYS A 98 13.508 3.654 5.121 1.00 0.00 O ATOM 1497 CB CYS A 98 14.362 3.390 2.086 1.00 0.00 C ATOM 1498 SG CYS A 98 15.862 2.638 2.761 1.00 0.00 S ATOM 0 H CYS A 98 12.124 3.634 1.086 1.00 0.00 H new ATOM 0 HA CYS A 98 13.154 1.989 3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.253 3.087 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.477 4.474 2.092 1.00 0.00 H new ATOM 0 HG CYS A 98 16.888 3.005 2.052 1.00 0.00 H new ATOM 1504 N GLN A 99 12.138 4.978 3.923 1.00 0.00 N ATOM 1505 CA GLN A 99 11.901 5.908 5.017 1.00 0.00 C ATOM 1506 C GLN A 99 10.888 5.341 6.005 1.00 0.00 C ATOM 1507 O GLN A 99 11.111 5.365 7.215 1.00 0.00 O ATOM 1508 CB GLN A 99 11.408 7.252 4.472 1.00 0.00 C ATOM 1509 CG GLN A 99 12.497 8.307 4.381 1.00 0.00 C ATOM 1510 CD GLN A 99 12.680 9.069 5.679 1.00 0.00 C ATOM 1511 OE1 GLN A 99 12.071 10.118 5.887 1.00 0.00 O ATOM 1512 NE2 GLN A 99 13.524 8.543 6.559 1.00 0.00 N ATOM 0 H GLN A 99 11.652 5.212 3.058 1.00 0.00 H new ATOM 0 HA GLN A 99 12.843 6.061 5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.979 7.098 3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.607 7.623 5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.438 7.830 4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.252 9.009 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.007 7.671 6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.689 9.011 7.450 1.00 0.00 H new ATOM 1521 N ASP A 100 9.773 4.833 5.486 1.00 0.00 N ATOM 1522 CA ASP A 100 8.730 4.267 6.333 1.00 0.00 C ATOM 1523 C ASP A 100 9.132 2.893 6.858 1.00 0.00 C ATOM 1524 O ASP A 100 8.728 2.493 7.951 1.00 0.00 O ATOM 1525 CB ASP A 100 7.416 4.168 5.557 1.00 0.00 C ATOM 1526 CG ASP A 100 7.483 3.169 4.419 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.743 1.977 4.687 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.275 3.579 3.258 1.00 0.00 O ATOM 0 H ASP A 100 9.570 4.802 4.487 1.00 0.00 H new ATOM 0 HA ASP A 100 8.593 4.930 7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.616 3.882 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.159 5.150 5.159 1.00 0.00 H new ATOM 1533 N LEU A 101 9.924 2.172 6.075 1.00 0.00 N ATOM 1534 CA LEU A 101 10.374 0.842 6.464 1.00 0.00 C ATOM 1535 C LEU A 101 11.369 0.916 7.617 1.00 0.00 C ATOM 1536 O LEU A 101 11.407 0.033 8.474 1.00 0.00 O ATOM 1537 CB LEU A 101 11.008 0.123 5.272 1.00 0.00 C ATOM 1538 CG LEU A 101 10.015 -0.455 4.263 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.735 -0.907 2.999 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.243 -1.610 4.883 1.00 0.00 C ATOM 0 H LEU A 101 10.268 2.486 5.167 1.00 0.00 H new ATOM 0 HA LEU A 101 9.503 0.278 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.665 0.821 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.635 -0.686 5.647 1.00 0.00 H new ATOM 0 HG LEU A 101 9.306 0.327 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.011 -1.315 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.243 -0.056 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.467 -1.674 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.540 -2.011 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.939 -2.393 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.696 -1.255 5.756 1.00 0.00 H new ATOM 1552 N ARG A 102 12.171 1.975 7.635 1.00 0.00 N ATOM 1553 CA ARG A 102 13.163 2.160 8.688 1.00 0.00 C ATOM 1554 C ARG A 102 12.512 2.712 9.953 1.00 0.00 C ATOM 1555 O ARG A 102 12.858 2.315 11.066 1.00 0.00 O ATOM 1556 CB ARG A 102 14.271 3.106 8.214 1.00 0.00 C ATOM 1557 CG ARG A 102 15.583 2.402 7.911 1.00 0.00 C ATOM 1558 CD ARG A 102 16.468 3.239 7.000 1.00 0.00 C ATOM 1559 NE ARG A 102 16.533 4.633 7.431 1.00 0.00 N ATOM 1560 CZ ARG A 102 17.142 5.595 6.741 1.00 0.00 C ATOM 1561 NH1 ARG A 102 17.742 5.319 5.590 1.00 0.00 N ATOM 1562 NH2 ARG A 102 17.154 6.838 7.204 1.00 0.00 N ATOM 0 H ARG A 102 12.154 2.716 6.935 1.00 0.00 H new ATOM 0 HA ARG A 102 13.600 1.189 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.933 3.628 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.443 3.863 8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.110 2.196 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.381 1.440 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 102 17.473 2.817 6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 102 16.086 3.192 5.980 1.00 0.00 H new ATOM 0 HE ARG A 102 16.085 4.884 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 102 17.738 4.365 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 102 18.207 6.061 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.697 7.057 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 102 17.621 7.575 6.675 1.00 0.00 H new ATOM 1576 N ASN A 103 11.564 3.627 9.772 1.00 0.00 N ATOM 1577 CA ASN A 103 10.860 4.235 10.895 1.00 0.00 C ATOM 1578 C ASN A 103 10.019 3.201 11.639 1.00 0.00 C ATOM 1579 O ASN A 103 9.684 3.389 12.808 1.00 0.00 O ATOM 1580 CB ASN A 103 9.962 5.373 10.407 1.00 0.00 C ATOM 1581 CG ASN A 103 10.739 6.459 9.690 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.915 6.686 9.971 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.079 7.138 8.758 1.00 0.00 N ATOM 0 H ASN A 103 11.266 3.964 8.857 1.00 0.00 H new ATOM 0 HA ASN A 103 11.607 4.634 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.203 4.970 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.437 5.808 11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.547 7.883 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.104 6.915 8.559 1.00 0.00 H new ATOM 1590 N GLN A 104 9.673 2.115 10.954 1.00 0.00 N ATOM 1591 CA GLN A 104 8.864 1.063 11.555 1.00 0.00 C ATOM 1592 C GLN A 104 7.500 1.610 11.960 1.00 0.00 C ATOM 1593 O GLN A 104 6.960 1.253 13.007 1.00 0.00 O ATOM 1594 CB GLN A 104 9.575 0.471 12.774 1.00 0.00 C ATOM 1595 CG GLN A 104 10.923 -0.154 12.450 1.00 0.00 C ATOM 1596 CD GLN A 104 10.921 -1.662 12.608 1.00 0.00 C ATOM 1597 OE1 GLN A 104 11.279 -2.187 13.662 1.00 0.00 O ATOM 1598 NE2 GLN A 104 10.515 -2.366 11.558 1.00 0.00 N ATOM 0 H GLN A 104 9.940 1.942 9.985 1.00 0.00 H new ATOM 0 HA GLN A 104 8.722 0.274 10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.717 1.255 13.517 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.933 -0.285 13.227 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.200 0.100 11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.684 0.275 13.102 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.227 -1.888 10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.491 -3.385 11.605 1.00 0.00 H new ATOM 1607 N LEU A 105 6.951 2.482 11.121 1.00 0.00 N ATOM 1608 CA LEU A 105 5.652 3.089 11.386 1.00 0.00 C ATOM 1609 C LEU A 105 4.575 2.023 11.557 1.00 0.00 C ATOM 1610 O LEU A 105 3.789 2.070 12.499 1.00 0.00 O ATOM 1611 CB LEU A 105 5.271 4.043 10.247 1.00 0.00 C ATOM 1612 CG LEU A 105 6.257 5.187 10.005 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.020 5.813 8.640 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.142 6.235 11.102 1.00 0.00 C ATOM 0 H LEU A 105 7.387 2.785 10.250 1.00 0.00 H new ATOM 0 HA LEU A 105 5.725 3.654 12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.174 3.466 9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.290 4.468 10.462 1.00 0.00 H new ATOM 0 HG LEU A 105 7.268 4.780 10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.730 6.625 8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.156 5.058 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.004 6.205 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.852 7.040 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.130 6.639 11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.362 5.778 12.067 1.00 0.00 H new ATOM 1626 N TYR A 106 4.543 1.066 10.637 1.00 0.00 N ATOM 1627 CA TYR A 106 3.552 -0.005 10.685 1.00 0.00 C ATOM 1628 C TYR A 106 4.223 -1.378 10.668 1.00 0.00 C ATOM 1629 O TYR A 106 5.376 -1.512 10.260 1.00 0.00 O ATOM 1630 CB TYR A 106 2.576 0.143 9.516 1.00 0.00 C ATOM 1631 CG TYR A 106 2.174 1.582 9.265 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.065 2.475 8.686 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.917 2.052 9.625 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.717 3.793 8.468 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.562 3.374 9.410 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.467 4.239 8.831 1.00 0.00 C ATOM 1637 OH TYR A 106 1.121 5.555 8.614 1.00 0.00 O ATOM 0 H TYR A 106 5.190 1.009 9.850 1.00 0.00 H new ATOM 0 HA TYR A 106 2.997 0.074 11.620 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.032 -0.265 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.683 -0.449 9.717 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.049 2.132 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.206 1.377 10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.424 4.472 8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.419 3.725 9.694 1.00 0.00 H new ATOM 0 HH TYR A 106 0.867 5.676 7.675 1.00 0.00 H new ATOM 1647 N GLU A 107 3.498 -2.392 11.138 1.00 0.00 N ATOM 1648 CA GLU A 107 4.026 -3.755 11.203 1.00 0.00 C ATOM 1649 C GLU A 107 4.342 -4.313 9.820 1.00 0.00 C ATOM 1650 O GLU A 107 5.423 -4.859 9.595 1.00 0.00 O ATOM 1651 CB GLU A 107 3.026 -4.675 11.908 1.00 0.00 C ATOM 1652 CG GLU A 107 3.659 -5.565 12.965 1.00 0.00 C ATOM 1653 CD GLU A 107 2.630 -6.239 13.852 1.00 0.00 C ATOM 1654 OE1 GLU A 107 2.144 -7.326 13.476 1.00 0.00 O ATOM 1655 OE2 GLU A 107 2.311 -5.679 14.922 1.00 0.00 O ATOM 0 H GLU A 107 2.542 -2.296 11.480 1.00 0.00 H new ATOM 0 HA GLU A 107 4.956 -3.714 11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.251 -4.066 12.374 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.535 -5.302 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.267 -6.327 12.477 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.331 -4.968 13.582 1.00 0.00 H new ATOM 1662 N SER A 108 3.396 -4.186 8.899 1.00 0.00 N ATOM 1663 CA SER A 108 3.581 -4.695 7.544 1.00 0.00 C ATOM 1664 C SER A 108 3.657 -3.556 6.537 1.00 0.00 C ATOM 1665 O SER A 108 3.560 -2.384 6.899 1.00 0.00 O ATOM 1666 CB SER A 108 2.439 -5.644 7.173 1.00 0.00 C ATOM 1667 OG SER A 108 1.270 -4.924 6.821 1.00 0.00 O ATOM 0 H SER A 108 2.495 -3.737 9.063 1.00 0.00 H new ATOM 0 HA SER A 108 4.524 -5.241 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.744 -6.277 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.224 -6.305 8.013 1.00 0.00 H new ATOM 0 HG SER A 108 0.643 -5.522 6.364 1.00 0.00 H new ATOM 1673 N TYR A 109 3.834 -3.910 5.269 1.00 0.00 N ATOM 1674 CA TYR A 109 3.928 -2.916 4.209 1.00 0.00 C ATOM 1675 C TYR A 109 3.493 -3.494 2.864 1.00 0.00 C ATOM 1676 O TYR A 109 4.316 -3.703 1.974 1.00 0.00 O ATOM 1677 CB TYR A 109 5.357 -2.380 4.110 1.00 0.00 C ATOM 1678 CG TYR A 109 5.862 -1.760 5.394 1.00 0.00 C ATOM 1679 CD1 TYR A 109 6.499 -2.532 6.358 1.00 0.00 C ATOM 1680 CD2 TYR A 109 5.703 -0.402 5.643 1.00 0.00 C ATOM 1681 CE1 TYR A 109 6.961 -1.970 7.533 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.164 0.168 6.815 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.791 -0.620 7.755 1.00 0.00 C ATOM 1684 OH TYR A 109 7.251 -0.057 8.925 1.00 0.00 O ATOM 0 H TYR A 109 3.915 -4.876 4.952 1.00 0.00 H new ATOM 0 HA TYR A 109 3.254 -2.097 4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.022 -3.194 3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.403 -1.636 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.635 -3.589 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.211 0.218 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.452 -2.585 8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.033 1.225 6.993 1.00 0.00 H new ATOM 0 HH TYR A 109 6.744 -0.417 9.683 1.00 0.00 H new ATOM 1694 N TYR A 110 2.194 -3.733 2.716 1.00 0.00 N ATOM 1695 CA TYR A 110 1.650 -4.266 1.470 1.00 0.00 C ATOM 1696 C TYR A 110 1.912 -3.282 0.334 1.00 0.00 C ATOM 1697 O TYR A 110 1.083 -2.422 0.043 1.00 0.00 O ATOM 1698 CB TYR A 110 0.148 -4.513 1.620 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.451 -5.377 0.532 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.434 -4.970 -0.797 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.038 -6.598 0.837 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -0.984 -5.756 -1.790 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.590 -7.391 -0.151 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.560 -6.966 -1.462 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.109 -7.752 -2.450 1.00 0.00 O ATOM 0 H TYR A 110 1.498 -3.566 3.443 1.00 0.00 H new ATOM 0 HA TYR A 110 2.138 -5.213 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.037 -4.984 2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.367 -3.553 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.017 -4.024 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.064 -6.933 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.963 -5.425 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.042 -8.338 0.103 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.472 -8.571 -2.053 1.00 0.00 H new ATOM 1715 N LEU A 111 3.079 -3.396 -0.288 1.00 0.00 N ATOM 1716 CA LEU A 111 3.459 -2.493 -1.369 1.00 0.00 C ATOM 1717 C LEU A 111 2.719 -2.808 -2.664 1.00 0.00 C ATOM 1718 O LEU A 111 2.355 -3.952 -2.929 1.00 0.00 O ATOM 1719 CB LEU A 111 4.971 -2.550 -1.602 1.00 0.00 C ATOM 1720 CG LEU A 111 5.825 -2.378 -0.345 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.305 -2.382 -0.695 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.455 -1.096 0.378 1.00 0.00 C ATOM 0 H LEU A 111 3.778 -4.104 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 111 3.177 -1.485 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.217 -3.507 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.243 -1.773 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 111 5.628 -3.220 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.894 -2.258 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.564 -3.328 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.519 -1.562 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.073 -0.990 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.622 -0.245 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.404 -1.131 0.666 1.00 0.00 H new ATOM 1734 N ASN A 112 2.511 -1.769 -3.465 1.00 0.00 N ATOM 1735 CA ASN A 112 1.826 -1.893 -4.745 1.00 0.00 C ATOM 1736 C ASN A 112 2.264 -0.775 -5.679 1.00 0.00 C ATOM 1737 O ASN A 112 2.163 0.403 -5.339 1.00 0.00 O ATOM 1738 CB ASN A 112 0.310 -1.856 -4.552 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.417 -2.712 -5.567 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.021 -2.781 -6.729 1.00 0.00 O ATOM 1741 ND2 ASN A 112 -1.483 -3.373 -5.132 1.00 0.00 N ATOM 0 H ASN A 112 2.812 -0.819 -3.246 1.00 0.00 H new ATOM 0 HA ASN A 112 2.092 -2.852 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.065 -2.200 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.039 -0.827 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.010 -3.968 -5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.775 -3.286 -4.159 1.00 0.00 H new ATOM 1748 N PHE A 113 2.774 -1.149 -6.846 1.00 0.00 N ATOM 1749 CA PHE A 113 3.253 -0.169 -7.811 1.00 0.00 C ATOM 1750 C PHE A 113 2.279 0.022 -8.970 1.00 0.00 C ATOM 1751 O PHE A 113 1.797 -0.944 -9.560 1.00 0.00 O ATOM 1752 CB PHE A 113 4.625 -0.588 -8.341 1.00 0.00 C ATOM 1753 CG PHE A 113 5.715 -0.495 -7.309 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.805 0.608 -6.473 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.650 -1.510 -7.174 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.806 0.698 -5.524 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.653 -1.425 -6.226 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.731 -0.320 -5.400 1.00 0.00 C ATOM 0 H PHE A 113 2.866 -2.120 -7.146 1.00 0.00 H new ATOM 0 HA PHE A 113 3.335 0.788 -7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.568 -1.613 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.886 0.041 -9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.084 1.407 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.594 -2.376 -7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.865 1.563 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.375 -2.222 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.514 -0.253 -4.659 1.00 0.00 H new ATOM 1768 N ILE A 114 2.004 1.284 -9.293 1.00 0.00 N ATOM 1769 CA ILE A 114 1.094 1.610 -10.401 1.00 0.00 C ATOM 1770 C ILE A 114 1.790 1.436 -11.750 1.00 0.00 C ATOM 1771 O ILE A 114 1.139 1.193 -12.766 1.00 0.00 O ATOM 1772 CB ILE A 114 0.521 3.057 -10.344 1.00 0.00 C ATOM 1773 CG1 ILE A 114 1.089 3.865 -9.170 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -0.999 3.026 -10.287 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.499 3.500 -7.826 1.00 0.00 C ATOM 0 H ILE A 114 2.392 2.095 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 114 0.264 0.912 -10.292 1.00 0.00 H new ATOM 0 HB ILE A 114 0.832 3.562 -11.258 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.169 3.720 -9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.916 4.925 -9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.382 4.046 -10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.386 2.527 -11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.319 2.483 -9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.953 4.116 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.577 3.672 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.695 2.449 -7.616 1.00 0.00 H new ATOM 1787 N SER A 115 3.111 1.575 -11.759 1.00 0.00 N ATOM 1788 CA SER A 115 3.885 1.446 -12.988 1.00 0.00 C ATOM 1789 C SER A 115 4.722 0.170 -12.979 1.00 0.00 C ATOM 1790 O SER A 115 4.737 -0.567 -11.994 1.00 0.00 O ATOM 1791 CB SER A 115 4.790 2.666 -13.171 1.00 0.00 C ATOM 1792 OG SER A 115 5.076 2.889 -14.540 1.00 0.00 O ATOM 0 H SER A 115 3.668 1.777 -10.929 1.00 0.00 H new ATOM 0 HA SER A 115 3.187 1.389 -13.823 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.307 3.547 -12.749 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.720 2.518 -12.622 1.00 0.00 H new ATOM 0 HG SER A 115 5.654 3.675 -14.630 1.00 0.00 H new ATOM 1798 N ALA A 116 5.412 -0.086 -14.086 1.00 0.00 N ATOM 1799 CA ALA A 116 6.245 -1.276 -14.210 1.00 0.00 C ATOM 1800 C ALA A 116 7.653 -1.032 -13.676 1.00 0.00 C ATOM 1801 O ALA A 116 8.533 -0.573 -14.404 1.00 0.00 O ATOM 1802 CB ALA A 116 6.303 -1.726 -15.661 1.00 0.00 C ATOM 0 H ALA A 116 5.410 0.515 -14.910 1.00 0.00 H new ATOM 0 HA ALA A 116 5.793 -2.064 -13.608 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.928 -2.615 -15.741 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.297 -1.957 -16.011 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.726 -0.929 -16.272 1.00 0.00 H new ATOM 1808 N ILE A 117 7.862 -1.351 -12.402 1.00 0.00 N ATOM 1809 CA ILE A 117 9.169 -1.175 -11.775 1.00 0.00 C ATOM 1810 C ILE A 117 10.129 -2.279 -12.215 1.00 0.00 C ATOM 1811 O ILE A 117 9.702 -3.322 -12.713 1.00 0.00 O ATOM 1812 CB ILE A 117 9.056 -1.171 -10.236 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.429 -0.934 -9.593 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.441 -2.472 -9.746 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.361 -0.573 -8.122 1.00 0.00 C ATOM 0 H ILE A 117 7.145 -1.732 -11.784 1.00 0.00 H new ATOM 0 HA ILE A 117 9.559 -0.209 -12.097 1.00 0.00 H new ATOM 0 HB ILE A 117 8.401 -0.352 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.034 -1.833 -9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.939 -0.134 -10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.368 -2.453 -8.659 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.445 -2.588 -10.174 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.068 -3.309 -10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.370 -0.421 -7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.784 0.343 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.881 -1.382 -7.571 1.00 0.00 H new ATOM 1827 N SER A 118 11.425 -2.041 -12.041 1.00 0.00 N ATOM 1828 CA SER A 118 12.439 -3.016 -12.432 1.00 0.00 C ATOM 1829 C SER A 118 13.121 -3.627 -11.212 1.00 0.00 C ATOM 1830 O SER A 118 13.030 -3.097 -10.105 1.00 0.00 O ATOM 1831 CB SER A 118 13.484 -2.358 -13.335 1.00 0.00 C ATOM 1832 OG SER A 118 14.178 -3.325 -14.104 1.00 0.00 O ATOM 0 H SER A 118 11.798 -1.184 -11.633 1.00 0.00 H new ATOM 0 HA SER A 118 11.940 -3.815 -12.979 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.997 -1.643 -13.998 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.193 -1.796 -12.726 1.00 0.00 H new ATOM 0 HG SER A 118 14.838 -2.878 -14.673 1.00 0.00 H new ATOM 1838 N ARG A 119 13.807 -4.747 -11.426 1.00 0.00 N ATOM 1839 CA ARG A 119 14.509 -5.438 -10.349 1.00 0.00 C ATOM 1840 C ARG A 119 15.427 -4.484 -9.591 1.00 0.00 C ATOM 1841 O ARG A 119 15.535 -4.551 -8.366 1.00 0.00 O ATOM 1842 CB ARG A 119 15.319 -6.611 -10.910 1.00 0.00 C ATOM 1843 CG ARG A 119 14.801 -7.972 -10.472 1.00 0.00 C ATOM 1844 CD ARG A 119 15.691 -8.593 -9.409 1.00 0.00 C ATOM 1845 NE ARG A 119 16.777 -9.378 -9.993 1.00 0.00 N ATOM 1846 CZ ARG A 119 17.567 -10.187 -9.292 1.00 0.00 C ATOM 1847 NH1 ARG A 119 17.397 -10.323 -7.982 1.00 0.00 N ATOM 1848 NH2 ARG A 119 18.531 -10.863 -9.901 1.00 0.00 N ATOM 0 H ARG A 119 13.891 -5.196 -12.338 1.00 0.00 H new ATOM 0 HA ARG A 119 13.763 -5.820 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.309 -6.561 -11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 119 16.358 -6.508 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 119 13.788 -7.869 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 119 14.746 -8.636 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 119 16.110 -7.806 -8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 119 15.090 -9.231 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 119 16.939 -9.301 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 119 16.657 -9.806 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 119 18.006 -10.945 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 119 18.667 -10.763 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 119 19.137 -11.483 -9.364 1.00 0.00 H new ATOM 1862 N SER A 120 16.083 -3.592 -10.326 1.00 0.00 N ATOM 1863 CA SER A 120 16.986 -2.621 -9.721 1.00 0.00 C ATOM 1864 C SER A 120 16.244 -1.758 -8.705 1.00 0.00 C ATOM 1865 O SER A 120 16.592 -1.733 -7.524 1.00 0.00 O ATOM 1866 CB SER A 120 17.618 -1.737 -10.799 1.00 0.00 C ATOM 1867 OG SER A 120 19.011 -1.591 -10.587 1.00 0.00 O ATOM 0 H SER A 120 16.006 -3.522 -11.341 1.00 0.00 H new ATOM 0 HA SER A 120 17.776 -3.165 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.440 -2.174 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 120 17.142 -0.757 -10.795 1.00 0.00 H new ATOM 0 HG SER A 120 19.391 -1.024 -11.290 1.00 0.00 H new ATOM 1873 N LYS A 121 15.215 -1.059 -9.170 1.00 0.00 N ATOM 1874 CA LYS A 121 14.419 -0.202 -8.301 1.00 0.00 C ATOM 1875 C LYS A 121 13.715 -1.029 -7.231 1.00 0.00 C ATOM 1876 O LYS A 121 13.615 -0.614 -6.077 1.00 0.00 O ATOM 1877 CB LYS A 121 13.391 0.580 -9.120 1.00 0.00 C ATOM 1878 CG LYS A 121 13.996 1.717 -9.929 1.00 0.00 C ATOM 1879 CD LYS A 121 13.212 1.970 -11.206 1.00 0.00 C ATOM 1880 CE LYS A 121 11.978 2.818 -10.944 1.00 0.00 C ATOM 1881 NZ LYS A 121 11.247 3.140 -12.200 1.00 0.00 N ATOM 0 H LYS A 121 14.913 -1.069 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 121 15.089 0.504 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.881 -0.105 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.635 0.986 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.014 2.625 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.030 1.478 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.851 2.471 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.914 1.018 -11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.312 2.289 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.272 3.743 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.413 3.719 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.874 3.668 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.943 2.258 -12.661 1.00 0.00 H new ATOM 1895 N LEU A 122 13.235 -2.206 -7.622 1.00 0.00 N ATOM 1896 CA LEU A 122 12.548 -3.095 -6.693 1.00 0.00 C ATOM 1897 C LEU A 122 13.476 -3.503 -5.558 1.00 0.00 C ATOM 1898 O LEU A 122 13.125 -3.392 -4.384 1.00 0.00 O ATOM 1899 CB LEU A 122 12.041 -4.336 -7.421 1.00 0.00 C ATOM 1900 CG LEU A 122 10.658 -4.183 -8.050 1.00 0.00 C ATOM 1901 CD1 LEU A 122 10.692 -4.581 -9.513 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.626 -5.004 -7.294 1.00 0.00 C ATOM 0 H LEU A 122 13.309 -2.565 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 122 11.697 -2.559 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.754 -4.600 -8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.016 -5.169 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 122 10.368 -3.134 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.698 -4.466 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.396 -3.943 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.007 -5.621 -9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.649 -4.879 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.908 -6.056 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.580 -4.666 -6.259 1.00 0.00 H new ATOM 1914 N GLU A 123 14.672 -3.967 -5.916 1.00 0.00 N ATOM 1915 CA GLU A 123 15.657 -4.381 -4.926 1.00 0.00 C ATOM 1916 C GLU A 123 15.861 -3.280 -3.891 1.00 0.00 C ATOM 1917 O GLU A 123 16.133 -3.552 -2.721 1.00 0.00 O ATOM 1918 CB GLU A 123 16.987 -4.719 -5.604 1.00 0.00 C ATOM 1919 CG GLU A 123 17.151 -6.198 -5.914 1.00 0.00 C ATOM 1920 CD GLU A 123 18.460 -6.505 -6.614 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.478 -6.690 -5.914 1.00 0.00 O ATOM 1922 OE2 GLU A 123 18.468 -6.562 -7.862 1.00 0.00 O ATOM 0 H GLU A 123 14.979 -4.065 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 123 15.286 -5.273 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.068 -4.151 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.806 -4.398 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.097 -6.768 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.322 -6.528 -6.540 1.00 0.00 H new ATOM 1929 N ASP A 124 15.713 -2.035 -4.332 1.00 0.00 N ATOM 1930 CA ASP A 124 15.865 -0.890 -3.445 1.00 0.00 C ATOM 1931 C ASP A 124 14.807 -0.928 -2.350 1.00 0.00 C ATOM 1932 O ASP A 124 15.127 -0.860 -1.163 1.00 0.00 O ATOM 1933 CB ASP A 124 15.757 0.414 -4.237 1.00 0.00 C ATOM 1934 CG ASP A 124 16.390 1.585 -3.510 1.00 0.00 C ATOM 1935 OD1 ASP A 124 15.814 2.040 -2.500 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.463 2.048 -3.953 1.00 0.00 O ATOM 0 H ASP A 124 15.488 -1.795 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 124 16.851 -0.937 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.239 0.288 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.707 0.634 -4.429 1.00 0.00 H new ATOM 1941 N ILE A 125 13.544 -1.049 -2.754 1.00 0.00 N ATOM 1942 CA ILE A 125 12.445 -1.109 -1.799 1.00 0.00 C ATOM 1943 C ILE A 125 12.542 -2.369 -0.944 1.00 0.00 C ATOM 1944 O ILE A 125 12.416 -2.312 0.280 1.00 0.00 O ATOM 1945 CB ILE A 125 11.072 -1.073 -2.503 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.870 0.265 -3.209 1.00 0.00 C ATOM 1947 CG2 ILE A 125 9.953 -1.310 -1.502 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.238 0.232 -4.672 1.00 0.00 C ATOM 0 H ILE A 125 13.259 -1.107 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 125 12.528 -0.229 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 125 11.048 -1.869 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.827 0.565 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.469 1.026 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.992 -1.281 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.084 -2.285 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.978 -0.534 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.070 1.215 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.289 -0.038 -4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.621 -0.505 -5.186 1.00 0.00 H new ATOM 1960 N ALA A 126 12.778 -3.511 -1.590 1.00 0.00 N ATOM 1961 CA ALA A 126 12.902 -4.771 -0.873 1.00 0.00 C ATOM 1962 C ALA A 126 13.985 -4.657 0.184 1.00 0.00 C ATOM 1963 O ALA A 126 13.839 -5.156 1.297 1.00 0.00 O ATOM 1964 CB ALA A 126 13.215 -5.909 -1.832 1.00 0.00 C ATOM 0 H ALA A 126 12.886 -3.585 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 126 11.952 -4.991 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.303 -6.841 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.413 -5.999 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.154 -5.704 -2.346 1.00 0.00 H new ATOM 1970 N ASN A 127 15.068 -3.977 -0.176 1.00 0.00 N ATOM 1971 CA ASN A 127 16.176 -3.773 0.739 1.00 0.00 C ATOM 1972 C ASN A 127 15.857 -2.656 1.714 1.00 0.00 C ATOM 1973 O ASN A 127 16.318 -2.665 2.856 1.00 0.00 O ATOM 1974 CB ASN A 127 17.462 -3.459 -0.028 1.00 0.00 C ATOM 1975 CG ASN A 127 18.152 -4.710 -0.536 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.312 -4.967 -0.212 1.00 0.00 O ATOM 1977 ND2 ASN A 127 17.441 -5.494 -1.336 1.00 0.00 N ATOM 0 H ASN A 127 15.199 -3.559 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 127 16.329 -4.694 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.229 -2.808 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.144 -2.909 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 127 17.853 -6.349 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 127 16.483 -5.241 -1.578 1.00 0.00 H new ATOM 1984 N ALA A 128 15.043 -1.701 1.273 1.00 0.00 N ATOM 1985 CA ALA A 128 14.649 -0.598 2.135 1.00 0.00 C ATOM 1986 C ALA A 128 14.127 -1.138 3.462 1.00 0.00 C ATOM 1987 O ALA A 128 14.268 -0.505 4.508 1.00 0.00 O ATOM 1988 CB ALA A 128 13.591 0.251 1.448 1.00 0.00 C ATOM 0 H ALA A 128 14.648 -1.671 0.333 1.00 0.00 H new ATOM 0 HA ALA A 128 15.518 0.030 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.303 1.074 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.993 0.651 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.717 -0.363 1.231 1.00 0.00 H new ATOM 1994 N ALA A 129 13.523 -2.323 3.398 1.00 0.00 N ATOM 1995 CA ALA A 129 12.973 -2.975 4.579 1.00 0.00 C ATOM 1996 C ALA A 129 14.028 -3.811 5.288 1.00 0.00 C ATOM 1997 O ALA A 129 14.111 -3.810 6.513 1.00 0.00 O ATOM 1998 CB ALA A 129 11.784 -3.842 4.195 1.00 0.00 C ATOM 0 H ALA A 129 13.403 -2.852 2.534 1.00 0.00 H new ATOM 0 HA ALA A 129 12.639 -2.199 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.382 -4.324 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.013 -3.221 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.104 -4.604 3.484 1.00 0.00 H new ATOM 2004 N LEU A 130 14.831 -4.530 4.509 1.00 0.00 N ATOM 2005 CA LEU A 130 15.881 -5.380 5.058 1.00 0.00 C ATOM 2006 C LEU A 130 16.721 -4.630 6.087 1.00 0.00 C ATOM 2007 O LEU A 130 17.277 -5.232 7.006 1.00 0.00 O ATOM 2008 CB LEU A 130 16.764 -5.912 3.929 1.00 0.00 C ATOM 2009 CG LEU A 130 16.029 -6.767 2.896 1.00 0.00 C ATOM 2010 CD1 LEU A 130 16.898 -7.009 1.670 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.588 -8.085 3.515 1.00 0.00 C ATOM 0 H LEU A 130 14.773 -4.540 3.491 1.00 0.00 H new ATOM 0 HA LEU A 130 15.409 -6.220 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.227 -5.067 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.570 -6.503 4.364 1.00 0.00 H new ATOM 0 HG LEU A 130 15.141 -6.224 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.351 -7.620 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.156 -6.054 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 130 17.810 -7.527 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.066 -8.682 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.462 -8.631 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.919 -7.888 4.353 1.00 0.00 H new ATOM 2023 N ALA A 131 16.794 -3.312 5.939 1.00 0.00 N ATOM 2024 CA ALA A 131 17.553 -2.485 6.868 1.00 0.00 C ATOM 2025 C ALA A 131 16.924 -2.531 8.257 1.00 0.00 C ATOM 2026 O ALA A 131 17.617 -2.436 9.271 1.00 0.00 O ATOM 2027 CB ALA A 131 17.626 -1.051 6.366 1.00 0.00 C ATOM 0 H ALA A 131 16.338 -2.795 5.187 1.00 0.00 H new ATOM 0 HA ALA A 131 18.567 -2.880 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 131 18.196 -0.447 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 131 18.116 -1.031 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.618 -0.646 6.274 1.00 0.00 H new ATOM 2033 N ALA A 132 15.604 -2.686 8.290 1.00 0.00 N ATOM 2034 CA ALA A 132 14.864 -2.754 9.546 1.00 0.00 C ATOM 2035 C ALA A 132 14.205 -4.123 9.726 1.00 0.00 C ATOM 2036 O ALA A 132 13.668 -4.428 10.791 1.00 0.00 O ATOM 2037 CB ALA A 132 13.815 -1.653 9.593 1.00 0.00 C ATOM 0 H ALA A 132 15.022 -2.767 7.456 1.00 0.00 H new ATOM 0 HA ALA A 132 15.569 -2.611 10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.268 -1.712 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.304 -0.682 9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 132 13.121 -1.776 8.761 1.00 0.00 H new ATOM 2043 N ASN A 133 14.242 -4.939 8.674 1.00 0.00 N ATOM 2044 CA ASN A 133 13.646 -6.270 8.704 1.00 0.00 C ATOM 2045 C ASN A 133 12.129 -6.183 8.822 1.00 0.00 C ATOM 2046 O ASN A 133 11.494 -7.026 9.455 1.00 0.00 O ATOM 2047 CB ASN A 133 14.218 -7.092 9.860 1.00 0.00 C ATOM 2048 CG ASN A 133 14.772 -8.428 9.402 1.00 0.00 C ATOM 2049 OD1 ASN A 133 14.154 -9.127 8.599 1.00 0.00 O ATOM 2050 ND2 ASN A 133 15.944 -8.788 9.913 1.00 0.00 N ATOM 0 H ASN A 133 14.682 -4.698 7.786 1.00 0.00 H new ATOM 0 HA ASN A 133 13.892 -6.769 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 133 15.008 -6.523 10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.438 -7.261 10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 133 16.367 -9.676 9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 133 16.421 -8.177 10.576 1.00 0.00 H new ATOM 2057 N ALA A 134 11.552 -5.157 8.203 1.00 0.00 N ATOM 2058 CA ALA A 134 10.109 -4.959 8.234 1.00 0.00 C ATOM 2059 C ALA A 134 9.418 -5.829 7.191 1.00 0.00 C ATOM 2060 O ALA A 134 9.814 -5.851 6.026 1.00 0.00 O ATOM 2061 CB ALA A 134 9.774 -3.490 8.012 1.00 0.00 C ATOM 0 H ALA A 134 12.063 -4.450 7.674 1.00 0.00 H new ATOM 0 HA ALA A 134 9.743 -5.256 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.693 -3.356 8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.233 -2.889 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.156 -3.172 7.042 1.00 0.00 H new ATOM 2067 N VAL A 135 8.383 -6.546 7.617 1.00 0.00 N ATOM 2068 CA VAL A 135 7.637 -7.419 6.719 1.00 0.00 C ATOM 2069 C VAL A 135 7.068 -6.637 5.541 1.00 0.00 C ATOM 2070 O VAL A 135 6.096 -5.895 5.686 1.00 0.00 O ATOM 2071 CB VAL A 135 6.486 -8.133 7.453 1.00 0.00 C ATOM 2072 CG1 VAL A 135 5.914 -9.249 6.593 1.00 0.00 C ATOM 2073 CG2 VAL A 135 6.958 -8.670 8.798 1.00 0.00 C ATOM 0 H VAL A 135 8.042 -6.539 8.578 1.00 0.00 H new ATOM 0 HA VAL A 135 8.339 -8.167 6.350 1.00 0.00 H new ATOM 0 HB VAL A 135 5.694 -7.408 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.102 -9.741 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.533 -8.831 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.696 -9.975 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.130 -9.171 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.770 -9.380 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.311 -7.844 9.416 1.00 0.00 H new ATOM 2083 N THR A 136 7.684 -6.805 4.375 1.00 0.00 N ATOM 2084 CA THR A 136 7.242 -6.109 3.173 1.00 0.00 C ATOM 2085 C THR A 136 6.772 -7.092 2.107 1.00 0.00 C ATOM 2086 O THR A 136 7.148 -8.266 2.117 1.00 0.00 O ATOM 2087 CB THR A 136 8.373 -5.243 2.616 1.00 0.00 C ATOM 2088 OG1 THR A 136 9.635 -5.761 3.000 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.307 -3.805 3.077 1.00 0.00 C ATOM 0 H THR A 136 8.489 -7.416 4.238 1.00 0.00 H new ATOM 0 HA THR A 136 6.401 -5.472 3.447 1.00 0.00 H new ATOM 0 HB THR A 136 8.249 -5.266 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.751 -5.656 3.967 1.00 0.00 H new ATOM 0 HG21 THR A 136 9.138 -3.246 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.365 -3.362 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.371 -3.768 4.165 1.00 0.00 H new ATOM 2097 N GLN A 137 5.952 -6.600 1.186 1.00 0.00 N ATOM 2098 CA GLN A 137 5.428 -7.421 0.103 1.00 0.00 C ATOM 2099 C GLN A 137 4.980 -6.544 -1.061 1.00 0.00 C ATOM 2100 O GLN A 137 4.084 -5.713 -0.914 1.00 0.00 O ATOM 2101 CB GLN A 137 4.257 -8.277 0.596 1.00 0.00 C ATOM 2102 CG GLN A 137 3.298 -7.530 1.510 1.00 0.00 C ATOM 2103 CD GLN A 137 3.178 -8.170 2.879 1.00 0.00 C ATOM 2104 OE1 GLN A 137 3.742 -7.681 3.858 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.442 -9.273 2.955 1.00 0.00 N ATOM 0 H GLN A 137 5.635 -5.631 1.169 1.00 0.00 H new ATOM 0 HA GLN A 137 6.224 -8.082 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.705 -8.654 -0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.650 -9.144 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.638 -6.500 1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.314 -7.491 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.992 -9.644 2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.327 -9.749 3.850 1.00 0.00 H new ATOM 2114 N VAL A 138 5.612 -6.729 -2.215 1.00 0.00 N ATOM 2115 CA VAL A 138 5.279 -5.948 -3.398 1.00 0.00 C ATOM 2116 C VAL A 138 4.200 -6.634 -4.227 1.00 0.00 C ATOM 2117 O VAL A 138 4.368 -7.768 -4.672 1.00 0.00 O ATOM 2118 CB VAL A 138 6.519 -5.695 -4.274 1.00 0.00 C ATOM 2119 CG1 VAL A 138 6.191 -4.728 -5.401 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.665 -5.164 -3.425 1.00 0.00 C ATOM 0 H VAL A 138 6.356 -7.412 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 138 4.898 -4.989 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 138 6.828 -6.641 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.081 -4.562 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.400 -5.148 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.857 -3.779 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.536 -4.989 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.365 -4.228 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.916 -5.894 -2.655 1.00 0.00 H new ATOM 2130 N ALA A 139 3.088 -5.934 -4.417 1.00 0.00 N ATOM 2131 CA ALA A 139 1.965 -6.463 -5.180 1.00 0.00 C ATOM 2132 C ALA A 139 2.143 -6.217 -6.676 1.00 0.00 C ATOM 2133 O ALA A 139 3.129 -5.619 -7.105 1.00 0.00 O ATOM 2134 CB ALA A 139 0.670 -5.840 -4.683 1.00 0.00 C ATOM 0 H ALA A 139 2.940 -4.994 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 139 1.924 -7.542 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.168 -6.237 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.534 -6.077 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.715 -4.758 -4.809 1.00 0.00 H new ATOM 2140 N LYS A 140 1.181 -6.689 -7.465 1.00 0.00 N ATOM 2141 CA LYS A 140 1.229 -6.527 -8.916 1.00 0.00 C ATOM 2142 C LYS A 140 0.788 -5.126 -9.327 1.00 0.00 C ATOM 2143 O LYS A 140 0.207 -4.388 -8.531 1.00 0.00 O ATOM 2144 CB LYS A 140 0.343 -7.573 -9.595 1.00 0.00 C ATOM 2145 CG LYS A 140 -1.088 -7.584 -9.081 1.00 0.00 C ATOM 2146 CD LYS A 140 -2.084 -7.821 -10.205 1.00 0.00 C ATOM 2147 CE LYS A 140 -3.424 -8.298 -9.670 1.00 0.00 C ATOM 2148 NZ LYS A 140 -3.307 -9.602 -8.961 1.00 0.00 N ATOM 0 H LYS A 140 0.359 -7.187 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 140 2.261 -6.669 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.333 -7.387 -10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 140 0.781 -8.560 -9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.198 -8.363 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -1.308 -6.634 -8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.224 -6.899 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.683 -8.561 -10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.830 -7.550 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.130 -8.395 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.223 -10.093 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -2.587 -10.189 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -3.029 -9.436 -7.973 1.00 0.00 H new ATOM 2162 N VAL A 141 1.069 -4.765 -10.575 1.00 0.00 N ATOM 2163 CA VAL A 141 0.707 -3.452 -11.094 1.00 0.00 C ATOM 2164 C VAL A 141 -0.551 -3.520 -11.956 1.00 0.00 C ATOM 2165 O VAL A 141 -0.823 -4.535 -12.596 1.00 0.00 O ATOM 2166 CB VAL A 141 1.853 -2.845 -11.927 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.491 -1.452 -12.409 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.141 -2.814 -11.122 1.00 0.00 C ATOM 0 H VAL A 141 1.547 -5.365 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 141 0.514 -2.816 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 141 2.009 -3.477 -12.801 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.315 -1.044 -12.994 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.596 -1.503 -13.029 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.302 -0.808 -11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.938 -2.382 -11.727 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.996 -2.209 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.414 -3.829 -10.833 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.309 -2.426 -11.972 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.536 -2.356 -12.762 1.00 0.00 C ATOM 2180 C PHE A 142 -2.491 -1.197 -13.749 1.00 0.00 C ATOM 2181 O PHE A 142 -3.016 -1.293 -14.856 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.768 -2.205 -11.867 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.483 -1.682 -10.492 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.790 -2.451 -9.575 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -3.927 -0.427 -10.114 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.542 -1.977 -8.303 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.681 0.053 -8.845 1.00 0.00 C ATOM 2188 CZ PHE A 142 -2.989 -0.725 -7.936 1.00 0.00 C ATOM 0 H PHE A 142 -1.096 -1.577 -11.448 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.610 -3.293 -13.313 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.476 -1.536 -12.356 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.257 -3.175 -11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.439 -3.433 -9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.472 0.183 -10.820 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.998 -2.586 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.029 1.036 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.799 -0.353 -6.940 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.879 -0.094 -13.331 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.785 1.098 -14.165 1.00 0.00 C ATOM 2200 C ASP A 143 -0.661 1.002 -15.192 1.00 0.00 C ATOM 2201 O ASP A 143 -0.375 1.971 -15.895 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.573 2.325 -13.286 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.845 2.753 -12.583 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.659 1.870 -12.238 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -3.030 3.971 -12.380 1.00 0.00 O ATOM 0 H ASP A 143 -1.439 -0.001 -12.415 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.722 1.185 -14.714 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.805 2.109 -12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.203 3.148 -13.897 1.00 0.00 H new ATOM 2210 N GLN A 144 -0.021 -0.154 -15.281 1.00 0.00 N ATOM 2211 CA GLN A 144 1.063 -0.340 -16.226 1.00 0.00 C ATOM 2212 C GLN A 144 0.576 -0.191 -17.667 1.00 0.00 C ATOM 2213 O GLN A 144 1.367 0.086 -18.567 1.00 0.00 O ATOM 2214 CB GLN A 144 1.706 -1.709 -16.018 1.00 0.00 C ATOM 2215 CG GLN A 144 3.221 -1.667 -16.018 1.00 0.00 C ATOM 2216 CD GLN A 144 3.799 -1.475 -17.406 1.00 0.00 C ATOM 2217 OE1 GLN A 144 4.408 -0.447 -17.701 1.00 0.00 O ATOM 2218 NE2 GLN A 144 3.607 -2.466 -18.269 1.00 0.00 N ATOM 0 H GLN A 144 -0.234 -0.973 -14.712 1.00 0.00 H new ATOM 0 HA GLN A 144 1.808 0.435 -16.047 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.361 -2.124 -15.071 1.00 0.00 H new ATOM 0 HB3 GLN A 144 1.368 -2.384 -16.804 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.558 -0.856 -15.373 1.00 0.00 H new ATOM 0 HG3 GLN A 144 3.606 -2.594 -15.593 1.00 0.00 H new ATOM 0 HE21 GLN A 144 3.096 -3.301 -17.982 1.00 0.00 H new ATOM 0 HE22 GLN A 144 3.971 -2.392 -19.219 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.727 -0.378 -17.888 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.291 -0.263 -19.223 1.00 0.00 C ATOM 2229 C TYR A 145 -2.228 0.941 -19.351 1.00 0.00 C ATOM 2230 O TYR A 145 -2.546 1.366 -20.461 1.00 0.00 O ATOM 2231 CB TYR A 145 -2.028 -1.544 -19.615 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.557 -2.354 -18.457 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -1.695 -2.930 -17.539 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -3.920 -2.548 -18.291 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -2.171 -3.675 -16.485 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -4.410 -3.294 -17.238 1.00 0.00 C ATOM 2237 CZ TYR A 145 -3.531 -3.855 -16.335 1.00 0.00 C ATOM 2238 OH TYR A 145 -4.012 -4.600 -15.283 1.00 0.00 O ATOM 0 H TYR A 145 -1.403 -0.608 -17.160 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.456 -0.109 -19.907 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -2.862 -1.281 -20.266 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -1.353 -2.170 -20.199 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -0.630 -2.792 -17.653 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.609 -2.108 -18.997 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -1.484 -4.117 -15.779 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -5.474 -3.437 -17.122 1.00 0.00 H new ATOM 0 HH TYR A 145 -3.262 -4.926 -14.743 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.668 1.494 -18.220 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.564 2.650 -18.239 1.00 0.00 C ATOM 2250 C LEU A 146 -3.171 3.676 -17.180 1.00 0.00 C ATOM 2251 O LEU A 146 -2.169 3.512 -16.485 1.00 0.00 O ATOM 2252 CB LEU A 146 -5.029 2.221 -18.042 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.327 1.333 -16.824 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.576 0.018 -16.921 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -4.994 2.048 -15.522 1.00 0.00 C ATOM 0 H LEU A 146 -2.421 1.164 -17.287 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.468 3.116 -19.220 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.640 3.120 -17.966 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.352 1.691 -18.938 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.396 1.120 -16.822 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.802 -0.595 -16.048 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.882 -0.510 -17.824 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.504 0.213 -16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.216 1.393 -14.680 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.936 2.308 -15.510 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.591 2.956 -15.443 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.967 4.734 -17.062 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.701 5.785 -16.087 1.00 0.00 C ATOM 2269 C ASN A 147 -2.344 6.431 -16.340 1.00 0.00 C ATOM 2270 O ASN A 147 -2.311 7.516 -16.959 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.755 5.218 -14.667 1.00 0.00 C ATOM 2272 CG ASN A 147 -4.431 6.164 -13.693 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -5.210 5.742 -12.838 1.00 0.00 O ATOM 2274 ND2 ASN A 147 -4.136 7.453 -13.818 1.00 0.00 N ATOM 2275 OXT ASN A 147 -1.323 5.849 -15.916 1.00 0.00 O ATOM 0 H ASN A 147 -4.801 4.886 -17.629 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.471 6.549 -16.194 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.290 4.268 -14.678 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.742 5.009 -14.323 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -4.561 8.136 -13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.485 7.759 -14.541 1.00 0.00 H new