USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 3 GLN : amide:sc= -4.62! C(o=-3.5!,f=-7.7!) USER MOD Set 1.2: A 66 GLN : amide:sc= 1.16 K(o=-3.5,f=-12!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 179:sc= 0.828 (180deg=0) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 56 SER OG : rot 72:sc= 1.28 USER MOD Set 3.1: A 43 ASN : amide:sc= 0.46 K(o=0.062,f=-2.2) USER MOD Set 3.2: A 46 SER OG : rot -110:sc= -0.398 USER MOD Set 4.1: A 15 GLN : amide:sc= 1.07 X(o=-3.1,f=-3.6) USER MOD Set 4.2: A 57 THR OG1 : rot 160:sc= -4.2! USER MOD Single : A 4 GLN : amide:sc= -0.243! X(o=-0.24!,f=-0.73) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.821 (180deg=-2.98!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 24 GLN : amide:sc= -3.37! C(o=-3.4!,f=-11!) USER MOD Single : A 27 ASN : amide:sc= -3.15! C(o=-3.1!,f=-4.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.216 USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= 0.763 (180deg=-0.483) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -0.198! (180deg=-0.288!) USER MOD Single : A 48 MET CE :methyl -161:sc= -0.257 (180deg=-0.98) USER MOD Single : A 51 MET CE :methyl -165:sc= -5.42! (180deg=-5.75!) USER MOD Single : A 52 SER OG : rot -28:sc= -3.21! USER MOD Single : A 59 THR OG1 : rot 67:sc= 0.485 USER MOD Single : A 62 THR OG1 : rot 168:sc= -3.16! USER MOD Single : A 71 GLN :FLIP amide:sc= -3.73! C(o=-7.3!,f=-3.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 7:sc= -3.64! USER MOD Single : A 82 GLN :FLIP amide:sc= -4.13! C(o=-5.6!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 19 N GLN A 3 -16.122 4.783 0.698 1.00 0.00 N ATOM 20 CA GLN A 3 -15.094 3.992 1.344 1.00 0.00 C ATOM 21 C GLN A 3 -15.667 3.009 2.356 1.00 0.00 C ATOM 22 O GLN A 3 -16.530 3.366 3.156 1.00 0.00 O ATOM 23 CB GLN A 3 -14.154 4.930 2.097 1.00 0.00 C ATOM 24 CG GLN A 3 -12.869 4.210 2.484 1.00 0.00 C ATOM 25 CD GLN A 3 -12.318 4.797 3.772 1.00 0.00 C ATOM 26 OE1 GLN A 3 -12.076 4.068 4.725 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.126 6.109 3.826 1.00 0.00 N ATOM 0 HA GLN A 3 -14.580 3.429 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.919 5.794 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.649 5.307 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.063 3.145 2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.133 4.306 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.337 6.689 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.767 6.537 4.679 1.00 0.00 H new ATOM 36 N GLN A 4 -15.137 1.790 2.345 1.00 0.00 N ATOM 37 CA GLN A 4 -15.405 0.754 3.326 1.00 0.00 C ATOM 38 C GLN A 4 -14.101 -0.011 3.508 1.00 0.00 C ATOM 39 O GLN A 4 -13.218 0.095 2.660 1.00 0.00 O ATOM 40 CB GLN A 4 -16.522 -0.164 2.835 1.00 0.00 C ATOM 41 CG GLN A 4 -17.888 0.476 3.083 1.00 0.00 C ATOM 42 CD GLN A 4 -18.139 0.667 4.572 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.630 -0.230 5.247 1.00 0.00 O ATOM 44 NE2 GLN A 4 -17.788 1.832 5.101 1.00 0.00 N ATOM 0 H GLN A 4 -14.484 1.489 1.622 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.739 1.175 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.395 -0.364 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.465 -1.124 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.940 1.439 2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.670 -0.152 2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.382 2.558 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.924 2.001 6.098 1.00 0.00 H new ATOM 53 N LYS A 5 -13.935 -0.765 4.591 1.00 0.00 N ATOM 54 CA LYS A 5 -12.718 -1.520 4.791 1.00 0.00 C ATOM 55 C LYS A 5 -12.977 -2.693 5.722 1.00 0.00 C ATOM 56 O LYS A 5 -13.779 -2.580 6.649 1.00 0.00 O ATOM 57 CB LYS A 5 -11.627 -0.592 5.317 1.00 0.00 C ATOM 58 CG LYS A 5 -12.159 0.547 6.194 1.00 0.00 C ATOM 59 CD LYS A 5 -12.676 0.032 7.534 1.00 0.00 C ATOM 60 CE LYS A 5 -13.250 1.196 8.334 1.00 0.00 C ATOM 61 NZ LYS A 5 -13.557 0.782 9.712 1.00 0.00 N ATOM 0 H LYS A 5 -14.626 -0.864 5.334 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.374 -1.935 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.910 -1.178 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.086 -0.166 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.366 1.275 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.961 1.066 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.442 -0.727 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.868 -0.443 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.537 2.020 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.155 1.565 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.947 1.590 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.254 0.011 9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.687 0.452 10.177 1.00 0.00 H new ATOM 75 N VAL A 6 -12.308 -3.812 5.454 1.00 0.00 N ATOM 76 CA VAL A 6 -12.415 -5.021 6.255 1.00 0.00 C ATOM 77 C VAL A 6 -11.009 -5.374 6.733 1.00 0.00 C ATOM 78 O VAL A 6 -10.090 -5.477 5.926 1.00 0.00 O ATOM 79 CB VAL A 6 -13.050 -6.146 5.427 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.490 -5.789 5.067 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.275 -6.373 4.132 1.00 0.00 C ATOM 0 H VAL A 6 -11.669 -3.902 4.664 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.061 -4.873 7.120 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.026 -7.053 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.929 -6.596 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.069 -5.648 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.502 -4.868 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.745 -7.175 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.279 -5.458 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.247 -6.649 4.367 1.00 0.00 H new ATOM 91 N GLU A 7 -10.794 -5.497 8.039 1.00 0.00 N ATOM 92 CA GLU A 7 -9.462 -5.753 8.559 1.00 0.00 C ATOM 93 C GLU A 7 -9.099 -7.229 8.522 1.00 0.00 C ATOM 94 O GLU A 7 -9.969 -8.097 8.552 1.00 0.00 O ATOM 95 CB GLU A 7 -9.335 -5.252 10.002 1.00 0.00 C ATOM 96 CG GLU A 7 -9.726 -3.786 10.232 1.00 0.00 C ATOM 97 CD GLU A 7 -11.232 -3.532 10.257 1.00 0.00 C ATOM 98 OE1 GLU A 7 -11.989 -4.528 10.278 1.00 0.00 O ATOM 99 OE2 GLU A 7 -11.603 -2.338 10.244 1.00 0.00 O ATOM 0 H GLU A 7 -11.522 -5.424 8.750 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.773 -5.211 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.956 -5.879 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.303 -5.389 10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.298 -3.452 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.280 -3.176 9.447 1.00 0.00 H new ATOM 106 N VAL A 8 -7.794 -7.488 8.484 1.00 0.00 N ATOM 107 CA VAL A 8 -7.200 -8.812 8.459 1.00 0.00 C ATOM 108 C VAL A 8 -5.754 -8.690 8.911 1.00 0.00 C ATOM 109 O VAL A 8 -5.211 -7.588 8.988 1.00 0.00 O ATOM 110 CB VAL A 8 -7.245 -9.373 7.035 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.641 -9.902 6.783 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.955 -8.257 6.034 1.00 0.00 C ATOM 0 H VAL A 8 -7.096 -6.745 8.469 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.750 -9.483 9.119 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.503 -10.163 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.699 -10.308 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.868 -10.688 7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.362 -9.092 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.988 -8.659 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.704 -7.472 6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.966 -7.842 6.228 1.00 0.00 H new ATOM 122 N ARG A 9 -5.113 -9.816 9.207 1.00 0.00 N ATOM 123 CA ARG A 9 -3.701 -9.746 9.521 1.00 0.00 C ATOM 124 C ARG A 9 -2.997 -9.636 8.190 1.00 0.00 C ATOM 125 O ARG A 9 -3.184 -10.467 7.306 1.00 0.00 O ATOM 126 CB ARG A 9 -3.211 -10.963 10.298 1.00 0.00 C ATOM 127 CG ARG A 9 -1.687 -11.029 10.383 1.00 0.00 C ATOM 128 CD ARG A 9 -1.267 -12.493 10.528 1.00 0.00 C ATOM 129 NE ARG A 9 -1.814 -13.309 9.436 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.345 -14.510 9.069 1.00 0.00 C ATOM 131 NH1 ARG A 9 -0.286 -15.044 9.686 1.00 0.00 N ATOM 132 NH2 ARG A 9 -1.934 -15.166 8.066 1.00 0.00 N ATOM 0 H ARG A 9 -5.530 -10.746 9.235 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.495 -8.894 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.627 -10.938 11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.585 -11.869 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.239 -10.594 9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.330 -10.448 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.179 -12.564 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.614 -12.881 11.486 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.609 -12.934 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.172 -14.537 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.064 -15.958 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.734 -14.753 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.584 -16.080 7.780 1.00 0.00 H new ATOM 146 N LEU A 10 -2.214 -8.580 8.062 1.00 0.00 N ATOM 147 CA LEU A 10 -1.426 -8.233 6.910 1.00 0.00 C ATOM 148 C LEU A 10 -0.307 -9.257 6.731 1.00 0.00 C ATOM 149 O LEU A 10 0.868 -8.940 6.865 1.00 0.00 O ATOM 150 CB LEU A 10 -0.900 -6.845 7.245 1.00 0.00 C ATOM 151 CG LEU A 10 0.053 -6.293 6.212 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.662 -6.141 4.875 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.501 -4.959 6.790 1.00 0.00 C ATOM 0 H LEU A 10 -2.110 -7.901 8.816 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.978 -8.233 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.743 -6.162 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.395 -6.880 8.210 1.00 0.00 H new ATOM 0 HG LEU A 10 0.907 -6.941 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.032 -5.742 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.026 -7.114 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.504 -5.458 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.200 -4.482 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.366 -4.314 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.990 -5.124 7.750 1.00 0.00 H new ATOM 165 N LYS A 11 -0.666 -10.499 6.441 1.00 0.00 N ATOM 166 CA LYS A 11 0.241 -11.615 6.305 1.00 0.00 C ATOM 167 C LYS A 11 1.042 -11.507 5.007 1.00 0.00 C ATOM 168 O LYS A 11 2.115 -12.100 4.885 1.00 0.00 O ATOM 169 CB LYS A 11 -0.591 -12.890 6.444 1.00 0.00 C ATOM 170 CG LYS A 11 0.108 -14.089 5.818 1.00 0.00 C ATOM 171 CD LYS A 11 -0.025 -14.043 4.294 1.00 0.00 C ATOM 172 CE LYS A 11 -1.445 -13.641 3.930 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.615 -13.507 2.481 1.00 0.00 N ATOM 0 H LYS A 11 -1.640 -10.761 6.289 1.00 0.00 H new ATOM 0 HA LYS A 11 1.003 -11.626 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.779 -13.088 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.561 -12.745 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.161 -14.092 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.326 -15.013 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.686 -13.331 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.211 -15.017 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.143 -14.386 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.691 -12.696 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.489 -12.981 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.803 -12.994 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.673 -14.451 2.049 1.00 0.00 H new ATOM 187 N THR A 12 0.518 -10.786 4.016 1.00 0.00 N ATOM 188 CA THR A 12 1.268 -10.457 2.822 1.00 0.00 C ATOM 189 C THR A 12 2.452 -9.594 3.272 1.00 0.00 C ATOM 190 O THR A 12 3.587 -9.795 2.852 1.00 0.00 O ATOM 191 CB THR A 12 0.370 -9.655 1.874 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.361 -8.687 2.608 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.636 -10.583 1.200 1.00 0.00 C ATOM 0 H THR A 12 -0.434 -10.419 4.025 1.00 0.00 H new ATOM 0 HA THR A 12 1.613 -11.351 2.302 1.00 0.00 H new ATOM 0 HB THR A 12 1.002 -9.173 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.932 -8.176 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.270 -10.005 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.104 -11.345 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.254 -11.063 1.959 1.00 0.00 H new ATOM 201 N GLY A 13 2.159 -8.612 4.134 1.00 0.00 N ATOM 202 CA GLY A 13 3.100 -7.641 4.675 1.00 0.00 C ATOM 203 C GLY A 13 3.842 -6.882 3.581 1.00 0.00 C ATOM 204 O GLY A 13 4.957 -6.422 3.791 1.00 0.00 O ATOM 0 H GLY A 13 1.212 -8.472 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.564 -6.932 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.821 -8.153 5.312 1.00 0.00 H new ATOM 208 N LEU A 14 3.218 -6.798 2.403 1.00 0.00 N ATOM 209 CA LEU A 14 3.611 -5.961 1.280 1.00 0.00 C ATOM 210 C LEU A 14 5.124 -5.925 1.086 1.00 0.00 C ATOM 211 O LEU A 14 5.727 -4.857 1.005 1.00 0.00 O ATOM 212 CB LEU A 14 3.040 -4.569 1.491 1.00 0.00 C ATOM 213 CG LEU A 14 1.535 -4.462 1.202 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.231 -4.434 -0.287 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.699 -5.577 1.828 1.00 0.00 C ATOM 0 H LEU A 14 2.380 -7.344 2.202 1.00 0.00 H new ATOM 0 HA LEU A 14 3.206 -6.388 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.225 -4.264 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.574 -3.867 0.850 1.00 0.00 H new ATOM 0 HG LEU A 14 1.253 -3.516 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.154 -4.358 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.723 -3.574 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.598 -5.350 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.351 -5.429 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.032 -6.541 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.820 -5.558 2.911 1.00 0.00 H new ATOM 227 N GLN A 15 5.733 -7.100 1.003 1.00 0.00 N ATOM 228 CA GLN A 15 7.167 -7.219 0.855 1.00 0.00 C ATOM 229 C GLN A 15 7.521 -7.186 -0.627 1.00 0.00 C ATOM 230 O GLN A 15 8.501 -6.551 -1.008 1.00 0.00 O ATOM 231 CB GLN A 15 7.627 -8.485 1.576 1.00 0.00 C ATOM 232 CG GLN A 15 7.271 -8.353 3.060 1.00 0.00 C ATOM 233 CD GLN A 15 7.257 -9.702 3.761 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.303 -10.242 4.104 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.073 -10.269 3.966 1.00 0.00 N ATOM 0 H GLN A 15 5.242 -7.994 1.037 1.00 0.00 H new ATOM 0 HA GLN A 15 7.695 -6.383 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.144 -9.363 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.702 -8.621 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.991 -7.697 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.293 -7.882 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.221 -9.793 3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.016 -11.180 4.421 1.00 0.00 H new ATOM 244 N ALA A 16 6.720 -7.846 -1.466 1.00 0.00 N ATOM 245 CA ALA A 16 6.928 -7.826 -2.901 1.00 0.00 C ATOM 246 C ALA A 16 5.811 -8.526 -3.662 1.00 0.00 C ATOM 247 O ALA A 16 5.110 -7.901 -4.452 1.00 0.00 O ATOM 248 CB ALA A 16 8.274 -8.467 -3.236 1.00 0.00 C ATOM 0 H ALA A 16 5.919 -8.402 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 16 6.924 -6.783 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.427 -8.450 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.074 -7.910 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.283 -9.499 -2.884 1.00 0.00 H new ATOM 254 N ARG A 17 5.634 -9.822 -3.424 1.00 0.00 N ATOM 255 CA ARG A 17 4.726 -10.650 -4.202 1.00 0.00 C ATOM 256 C ARG A 17 3.272 -10.364 -3.852 1.00 0.00 C ATOM 257 O ARG A 17 2.572 -9.718 -4.630 1.00 0.00 O ATOM 258 CB ARG A 17 5.083 -12.132 -4.050 1.00 0.00 C ATOM 259 CG ARG A 17 6.588 -12.348 -4.209 1.00 0.00 C ATOM 260 CD ARG A 17 7.177 -12.792 -2.871 1.00 0.00 C ATOM 261 NE ARG A 17 8.641 -12.851 -2.936 1.00 0.00 N ATOM 262 CZ ARG A 17 9.454 -12.012 -2.281 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.954 -11.052 -1.496 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.779 -12.139 -2.418 1.00 0.00 N ATOM 0 H ARG A 17 6.119 -10.327 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 17 4.845 -10.394 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.761 -12.490 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.546 -12.718 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.780 -13.102 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.066 -11.427 -4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.872 -12.099 -2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.781 -13.771 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 17 9.066 -13.575 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.944 -10.953 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.582 -10.419 -1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.162 -12.870 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.406 -11.505 -1.923 1.00 0.00 H new ATOM 278 N PRO A 18 2.795 -10.833 -2.693 1.00 0.00 N ATOM 279 CA PRO A 18 1.460 -10.546 -2.216 1.00 0.00 C ATOM 280 C PRO A 18 1.275 -9.054 -2.042 1.00 0.00 C ATOM 281 O PRO A 18 0.161 -8.559 -2.150 1.00 0.00 O ATOM 282 CB PRO A 18 1.331 -11.237 -0.872 1.00 0.00 C ATOM 283 CG PRO A 18 2.774 -11.233 -0.395 1.00 0.00 C ATOM 284 CD PRO A 18 3.540 -11.532 -1.678 1.00 0.00 C ATOM 0 HA PRO A 18 0.707 -10.895 -2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.672 -10.696 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.932 -12.247 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.058 -10.272 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.952 -11.989 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.569 -11.177 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.582 -12.603 -1.879 1.00 0.00 H new ATOM 292 N ALA A 19 2.356 -8.341 -1.741 1.00 0.00 N ATOM 293 CA ALA A 19 2.342 -6.900 -1.713 1.00 0.00 C ATOM 294 C ALA A 19 1.840 -6.364 -3.046 1.00 0.00 C ATOM 295 O ALA A 19 0.886 -5.587 -3.101 1.00 0.00 O ATOM 296 CB ALA A 19 3.780 -6.476 -1.577 1.00 0.00 C ATOM 0 H ALA A 19 3.260 -8.754 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 19 1.706 -6.534 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.837 -5.388 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.194 -6.884 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.351 -6.848 -2.427 1.00 0.00 H new ATOM 302 N ALA A 20 2.503 -6.808 -4.116 1.00 0.00 N ATOM 303 CA ALA A 20 2.189 -6.414 -5.471 1.00 0.00 C ATOM 304 C ALA A 20 0.781 -6.861 -5.816 1.00 0.00 C ATOM 305 O ALA A 20 0.021 -6.089 -6.388 1.00 0.00 O ATOM 306 CB ALA A 20 3.203 -7.033 -6.429 1.00 0.00 C ATOM 0 H ALA A 20 3.284 -7.461 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 20 2.241 -5.329 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.966 -6.736 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.204 -6.686 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.164 -8.119 -6.348 1.00 0.00 H new ATOM 312 N LEU A 21 0.417 -8.091 -5.452 1.00 0.00 N ATOM 313 CA LEU A 21 -0.918 -8.594 -5.747 1.00 0.00 C ATOM 314 C LEU A 21 -1.970 -7.726 -5.053 1.00 0.00 C ATOM 315 O LEU A 21 -2.936 -7.302 -5.686 1.00 0.00 O ATOM 316 CB LEU A 21 -1.018 -10.081 -5.406 1.00 0.00 C ATOM 317 CG LEU A 21 -2.240 -10.711 -6.081 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.046 -12.223 -6.141 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.523 -10.402 -5.313 1.00 0.00 C ATOM 0 H LEU A 21 1.022 -8.748 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.117 -8.521 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.113 -10.595 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.088 -10.207 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.334 -10.293 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.911 -12.682 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.149 -12.452 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.940 -12.617 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.370 -10.864 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.445 -10.798 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.670 -9.323 -5.270 1.00 0.00 H new ATOM 331 N PHE A 22 -1.744 -7.430 -3.773 1.00 0.00 N ATOM 332 CA PHE A 22 -2.538 -6.554 -2.929 1.00 0.00 C ATOM 333 C PHE A 22 -2.755 -5.230 -3.634 1.00 0.00 C ATOM 334 O PHE A 22 -3.877 -4.886 -4.000 1.00 0.00 O ATOM 335 CB PHE A 22 -1.726 -6.349 -1.648 1.00 0.00 C ATOM 336 CG PHE A 22 -2.144 -5.255 -0.676 1.00 0.00 C ATOM 337 CD1 PHE A 22 -1.910 -3.905 -0.990 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.508 -5.591 0.636 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.094 -2.903 -0.026 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.698 -4.592 1.608 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.501 -3.242 1.274 1.00 0.00 C ATOM 0 H PHE A 22 -0.948 -7.824 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.518 -6.978 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.729 -7.293 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.694 -6.153 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.585 -3.636 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.644 -6.629 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.922 -1.869 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.995 -4.863 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.662 -2.470 2.012 1.00 0.00 H new ATOM 351 N VAL A 23 -1.658 -4.494 -3.821 1.00 0.00 N ATOM 352 CA VAL A 23 -1.697 -3.182 -4.427 1.00 0.00 C ATOM 353 C VAL A 23 -2.347 -3.259 -5.802 1.00 0.00 C ATOM 354 O VAL A 23 -3.147 -2.395 -6.155 1.00 0.00 O ATOM 355 CB VAL A 23 -0.270 -2.630 -4.484 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.191 -1.363 -5.330 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.190 -2.278 -3.070 1.00 0.00 C ATOM 0 H VAL A 23 -0.722 -4.800 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.304 -2.500 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 23 0.364 -3.396 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.837 -1.000 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.515 -1.584 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.838 -0.598 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.206 -1.884 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.476 -1.526 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.169 -3.172 -2.447 1.00 0.00 H new ATOM 367 N GLN A 24 -2.036 -4.297 -6.576 1.00 0.00 N ATOM 368 CA GLN A 24 -2.552 -4.393 -7.919 1.00 0.00 C ATOM 369 C GLN A 24 -4.049 -4.619 -7.921 1.00 0.00 C ATOM 370 O GLN A 24 -4.729 -3.907 -8.642 1.00 0.00 O ATOM 371 CB GLN A 24 -1.696 -5.308 -8.808 1.00 0.00 C ATOM 372 CG GLN A 24 -1.719 -6.813 -8.541 1.00 0.00 C ATOM 373 CD GLN A 24 -2.968 -7.452 -9.113 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.183 -7.472 -10.322 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.842 -7.944 -8.252 1.00 0.00 N ATOM 0 H GLN A 24 -1.435 -5.070 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.447 -3.430 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.005 -5.150 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.662 -4.973 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.836 -7.277 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.673 -6.995 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.643 -7.917 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.715 -8.351 -8.588 1.00 0.00 H new ATOM 384 N GLU A 25 -4.605 -5.500 -7.089 1.00 0.00 N ATOM 385 CA GLU A 25 -6.043 -5.712 -7.132 1.00 0.00 C ATOM 386 C GLU A 25 -6.740 -4.544 -6.467 1.00 0.00 C ATOM 387 O GLU A 25 -7.767 -4.103 -6.966 1.00 0.00 O ATOM 388 CB GLU A 25 -6.443 -7.056 -6.518 1.00 0.00 C ATOM 389 CG GLU A 25 -5.778 -7.276 -5.159 1.00 0.00 C ATOM 390 CD GLU A 25 -6.406 -8.425 -4.386 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.527 -8.833 -4.764 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.763 -8.843 -3.401 1.00 0.00 O ATOM 0 H GLU A 25 -4.099 -6.058 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.363 -5.759 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.526 -7.096 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.164 -7.863 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.717 -7.477 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.851 -6.362 -4.569 1.00 0.00 H new ATOM 399 N ALA A 26 -6.175 -4.005 -5.386 1.00 0.00 N ATOM 400 CA ALA A 26 -6.682 -2.784 -4.785 1.00 0.00 C ATOM 401 C ALA A 26 -6.838 -1.738 -5.887 1.00 0.00 C ATOM 402 O ALA A 26 -7.869 -1.089 -5.988 1.00 0.00 O ATOM 403 CB ALA A 26 -5.666 -2.293 -3.762 1.00 0.00 C ATOM 0 H ALA A 26 -5.363 -4.401 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.641 -2.959 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.030 -1.376 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.525 -3.055 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.716 -2.097 -4.258 1.00 0.00 H new ATOM 409 N ASN A 27 -5.806 -1.624 -6.723 1.00 0.00 N ATOM 410 CA ASN A 27 -5.723 -0.738 -7.874 1.00 0.00 C ATOM 411 C ASN A 27 -6.694 -1.099 -8.979 1.00 0.00 C ATOM 412 O ASN A 27 -7.202 -0.234 -9.685 1.00 0.00 O ATOM 413 CB ASN A 27 -4.344 -0.899 -8.486 1.00 0.00 C ATOM 414 CG ASN A 27 -3.461 0.276 -8.090 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.725 1.417 -8.456 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.439 0.004 -7.290 1.00 0.00 N ATOM 0 H ASN A 27 -4.960 -2.181 -6.604 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.945 0.267 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.894 -1.833 -8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.423 -0.956 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.838 0.758 -6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.254 -0.959 -7.009 1.00 0.00 H new ATOM 423 N ARG A 28 -6.859 -2.404 -9.166 1.00 0.00 N ATOM 424 CA ARG A 28 -7.714 -3.027 -10.152 1.00 0.00 C ATOM 425 C ARG A 28 -9.105 -2.484 -9.907 1.00 0.00 C ATOM 426 O ARG A 28 -9.795 -1.966 -10.782 1.00 0.00 O ATOM 427 CB ARG A 28 -7.611 -4.516 -9.845 1.00 0.00 C ATOM 428 CG ARG A 28 -6.319 -5.018 -10.486 1.00 0.00 C ATOM 429 CD ARG A 28 -5.876 -6.404 -10.028 1.00 0.00 C ATOM 430 NE ARG A 28 -6.942 -7.399 -10.152 1.00 0.00 N ATOM 431 CZ ARG A 28 -6.729 -8.675 -10.499 1.00 0.00 C ATOM 432 NH1 ARG A 28 -5.492 -9.104 -10.779 1.00 0.00 N ATOM 433 NH2 ARG A 28 -7.761 -9.521 -10.563 1.00 0.00 N ATOM 0 H ARG A 28 -6.366 -3.091 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.454 -2.840 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.599 -4.687 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.472 -5.052 -10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.448 -5.032 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.522 -4.307 -10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.016 -6.721 -10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.549 -6.353 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.900 -7.104 -9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.704 -8.458 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.337 -10.077 -11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.703 -9.194 -10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.607 -10.494 -10.826 1.00 0.00 H new ATOM 447 N PHE A 29 -9.458 -2.599 -8.640 1.00 0.00 N ATOM 448 CA PHE A 29 -10.607 -2.015 -8.036 1.00 0.00 C ATOM 449 C PHE A 29 -10.544 -0.511 -8.242 1.00 0.00 C ATOM 450 O PHE A 29 -9.601 0.162 -7.838 1.00 0.00 O ATOM 451 CB PHE A 29 -10.511 -2.443 -6.586 1.00 0.00 C ATOM 452 CG PHE A 29 -11.112 -3.820 -6.435 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.326 -4.094 -7.086 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.313 -4.885 -5.986 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.781 -5.414 -7.214 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.775 -6.208 -6.094 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.017 -6.471 -6.698 1.00 0.00 C ATOM 0 H PHE A 29 -8.904 -3.140 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.565 -2.327 -8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.470 -2.450 -6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.036 -1.732 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.913 -3.283 -7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.342 -4.687 -5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.719 -5.617 -7.710 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.176 -7.022 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.382 -7.485 -6.765 1.00 0.00 H new ATOM 467 N THR A 30 -11.586 0.021 -8.864 1.00 0.00 N ATOM 468 CA THR A 30 -11.693 1.431 -9.216 1.00 0.00 C ATOM 469 C THR A 30 -12.089 2.248 -7.982 1.00 0.00 C ATOM 470 O THR A 30 -13.054 3.006 -7.989 1.00 0.00 O ATOM 471 CB THR A 30 -12.709 1.540 -10.354 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.234 0.825 -11.474 1.00 0.00 O ATOM 473 CG2 THR A 30 -12.931 2.989 -10.763 1.00 0.00 C ATOM 0 H THR A 30 -12.399 -0.527 -9.145 1.00 0.00 H new ATOM 0 HA THR A 30 -10.741 1.838 -9.556 1.00 0.00 H new ATOM 0 HB THR A 30 -13.654 1.126 -10.002 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.884 0.892 -12.204 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.658 3.031 -11.574 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.306 3.555 -9.910 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.988 3.421 -11.099 1.00 0.00 H new ATOM 481 N SER A 31 -11.319 2.094 -6.914 1.00 0.00 N ATOM 482 CA SER A 31 -11.573 2.640 -5.613 1.00 0.00 C ATOM 483 C SER A 31 -10.324 3.230 -4.993 1.00 0.00 C ATOM 484 O SER A 31 -9.212 2.771 -5.245 1.00 0.00 O ATOM 485 CB SER A 31 -12.034 1.470 -4.741 1.00 0.00 C ATOM 486 OG SER A 31 -13.111 0.769 -5.346 1.00 0.00 O ATOM 0 H SER A 31 -10.455 1.552 -6.947 1.00 0.00 H new ATOM 0 HA SER A 31 -12.312 3.437 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.201 0.787 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.342 1.841 -3.764 1.00 0.00 H new ATOM 0 HG SER A 31 -13.384 0.026 -4.768 1.00 0.00 H new ATOM 492 N ASP A 32 -10.528 4.223 -4.129 1.00 0.00 N ATOM 493 CA ASP A 32 -9.471 4.770 -3.303 1.00 0.00 C ATOM 494 C ASP A 32 -9.186 3.683 -2.275 1.00 0.00 C ATOM 495 O ASP A 32 -9.764 3.681 -1.193 1.00 0.00 O ATOM 496 CB ASP A 32 -9.977 6.036 -2.611 1.00 0.00 C ATOM 497 CG ASP A 32 -10.375 7.140 -3.579 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.631 7.350 -4.559 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.440 7.747 -3.319 1.00 0.00 O ATOM 0 H ASP A 32 -11.435 4.667 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.580 5.038 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.836 5.782 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.200 6.411 -1.944 1.00 0.00 H new ATOM 504 N VAL A 33 -8.422 2.670 -2.667 1.00 0.00 N ATOM 505 CA VAL A 33 -8.161 1.533 -1.815 1.00 0.00 C ATOM 506 C VAL A 33 -7.209 1.935 -0.711 1.00 0.00 C ATOM 507 O VAL A 33 -6.234 2.651 -0.941 1.00 0.00 O ATOM 508 CB VAL A 33 -7.670 0.372 -2.663 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.388 -0.845 -1.790 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.814 0.070 -3.618 1.00 0.00 C ATOM 0 H VAL A 33 -7.972 2.620 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.072 1.192 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.745 0.614 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.037 -1.667 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.623 -0.596 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.302 -1.144 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.536 -0.760 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.703 -0.197 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.023 0.951 -4.225 1.00 0.00 H new ATOM 520 N PHE A 34 -7.498 1.466 0.495 1.00 0.00 N ATOM 521 CA PHE A 34 -6.740 1.836 1.667 1.00 0.00 C ATOM 522 C PHE A 34 -6.340 0.624 2.496 1.00 0.00 C ATOM 523 O PHE A 34 -6.798 -0.488 2.259 1.00 0.00 O ATOM 524 CB PHE A 34 -7.528 2.835 2.527 1.00 0.00 C ATOM 525 CG PHE A 34 -8.079 4.051 1.812 1.00 0.00 C ATOM 526 CD1 PHE A 34 -7.316 4.700 0.827 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.332 4.574 2.178 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.806 5.855 0.196 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.839 5.712 1.526 1.00 0.00 C ATOM 530 CZ PHE A 34 -9.077 6.353 0.533 1.00 0.00 C ATOM 0 H PHE A 34 -8.265 0.820 0.681 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.823 2.312 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.360 2.305 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.880 3.177 3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.347 4.309 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.906 4.101 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.207 6.360 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.815 6.094 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.467 7.226 0.030 1.00 0.00 H new ATOM 540 N LEU A 35 -5.455 0.840 3.458 1.00 0.00 N ATOM 541 CA LEU A 35 -5.078 -0.148 4.447 1.00 0.00 C ATOM 542 C LEU A 35 -4.949 0.628 5.741 1.00 0.00 C ATOM 543 O LEU A 35 -4.263 1.646 5.753 1.00 0.00 O ATOM 544 CB LEU A 35 -3.758 -0.833 4.100 1.00 0.00 C ATOM 545 CG LEU A 35 -3.537 -1.982 5.083 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.640 -3.023 4.921 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.202 -2.668 4.819 1.00 0.00 C ATOM 0 H LEU A 35 -4.970 1.730 3.572 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.816 -0.948 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.783 -1.209 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.935 -0.121 4.158 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.546 -1.566 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.476 -3.839 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.608 -2.562 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.626 -3.413 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.065 -3.483 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.192 -3.066 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.393 -1.946 4.934 1.00 0.00 H new ATOM 559 N GLU A 36 -5.639 0.205 6.792 1.00 0.00 N ATOM 560 CA GLU A 36 -5.616 0.910 8.057 1.00 0.00 C ATOM 561 C GLU A 36 -4.941 0.035 9.104 1.00 0.00 C ATOM 562 O GLU A 36 -5.576 -0.875 9.634 1.00 0.00 O ATOM 563 CB GLU A 36 -7.044 1.222 8.503 1.00 0.00 C ATOM 564 CG GLU A 36 -7.896 1.788 7.371 1.00 0.00 C ATOM 565 CD GLU A 36 -9.319 2.037 7.848 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.914 1.086 8.398 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.777 3.186 7.673 1.00 0.00 O ATOM 0 H GLU A 36 -6.225 -0.630 6.788 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.064 1.843 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.509 0.313 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.017 1.936 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.459 2.719 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.904 1.093 6.531 1.00 0.00 H new ATOM 574 N LYS A 37 -3.675 0.294 9.421 1.00 0.00 N ATOM 575 CA LYS A 37 -2.981 -0.441 10.463 1.00 0.00 C ATOM 576 C LYS A 37 -3.552 -0.023 11.806 1.00 0.00 C ATOM 577 O LYS A 37 -3.017 0.881 12.446 1.00 0.00 O ATOM 578 CB LYS A 37 -1.490 -0.137 10.432 1.00 0.00 C ATOM 579 CG LYS A 37 -0.771 -0.932 9.360 1.00 0.00 C ATOM 580 CD LYS A 37 0.726 -0.678 9.502 1.00 0.00 C ATOM 581 CE LYS A 37 1.155 -1.033 10.927 1.00 0.00 C ATOM 582 NZ LYS A 37 2.552 -0.644 11.177 1.00 0.00 N ATOM 0 H LYS A 37 -3.111 1.012 8.966 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.118 -1.511 10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.341 0.928 10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.054 -0.363 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.988 -1.995 9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.115 -0.633 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.280 -1.278 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.953 0.367 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.502 -0.531 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.039 -2.105 11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.809 -0.882 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.177 -1.155 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.659 0.380 11.030 1.00 0.00 H new ATOM 596 N ASP A 38 -4.677 -0.624 12.192 1.00 0.00 N ATOM 597 CA ASP A 38 -5.358 -0.303 13.438 1.00 0.00 C ATOM 598 C ASP A 38 -5.673 1.191 13.489 1.00 0.00 C ATOM 599 O ASP A 38 -5.640 1.803 14.553 1.00 0.00 O ATOM 600 CB ASP A 38 -4.449 -0.660 14.610 1.00 0.00 C ATOM 601 CG ASP A 38 -4.194 -2.157 14.715 1.00 0.00 C ATOM 602 OD1 ASP A 38 -3.219 -2.617 14.081 1.00 0.00 O ATOM 603 OD2 ASP A 38 -4.975 -2.810 15.440 1.00 0.00 O ATOM 0 H ASP A 38 -5.140 -1.349 11.645 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.287 -0.870 13.497 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.498 -0.140 14.499 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.900 -0.306 15.537 1.00 0.00 H new ATOM 608 N GLY A 39 -5.955 1.791 12.331 1.00 0.00 N ATOM 609 CA GLY A 39 -6.166 3.224 12.270 1.00 0.00 C ATOM 610 C GLY A 39 -5.150 3.888 11.344 1.00 0.00 C ATOM 611 O GLY A 39 -5.439 4.940 10.777 1.00 0.00 O ATOM 0 H GLY A 39 -6.040 1.307 11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.176 3.432 11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.085 3.650 13.270 1.00 0.00 H new ATOM 615 N LYS A 40 -3.972 3.281 11.156 1.00 0.00 N ATOM 616 CA LYS A 40 -2.950 3.812 10.271 1.00 0.00 C ATOM 617 C LYS A 40 -3.373 3.551 8.828 1.00 0.00 C ATOM 618 O LYS A 40 -2.830 2.667 8.173 1.00 0.00 O ATOM 619 CB LYS A 40 -1.621 3.119 10.572 1.00 0.00 C ATOM 620 CG LYS A 40 -1.254 3.202 12.053 1.00 0.00 C ATOM 621 CD LYS A 40 0.204 2.777 12.225 1.00 0.00 C ATOM 622 CE LYS A 40 1.098 3.655 11.346 1.00 0.00 C ATOM 623 NZ LYS A 40 2.526 3.367 11.574 1.00 0.00 N ATOM 0 H LYS A 40 -3.709 2.410 11.616 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.829 4.885 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.682 2.073 10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.831 3.576 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.396 4.218 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.907 2.556 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.500 2.869 13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.323 1.729 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.855 3.489 10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.899 4.706 11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.105 3.978 10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.762 3.549 12.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.719 2.370 11.349 1.00 0.00 H new ATOM 637 N LYS A 41 -4.385 4.271 8.358 1.00 0.00 N ATOM 638 CA LYS A 41 -4.952 4.057 7.046 1.00 0.00 C ATOM 639 C LYS A 41 -4.308 4.918 5.971 1.00 0.00 C ATOM 640 O LYS A 41 -4.102 6.120 6.129 1.00 0.00 O ATOM 641 CB LYS A 41 -6.459 4.234 7.148 1.00 0.00 C ATOM 642 CG LYS A 41 -7.135 4.492 5.805 1.00 0.00 C ATOM 643 CD LYS A 41 -7.113 6.011 5.598 1.00 0.00 C ATOM 644 CE LYS A 41 -7.448 6.418 4.165 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.279 6.251 3.291 1.00 0.00 N ATOM 0 H LYS A 41 -4.832 5.021 8.884 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.738 3.040 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.892 3.340 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.674 5.065 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.607 3.982 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.157 4.114 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.826 6.476 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.126 6.394 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.275 5.813 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.778 7.457 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.127 7.123 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.438 6.054 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.443 5.458 2.639 1.00 0.00 H new ATOM 659 N VAL A 42 -4.037 4.261 4.849 1.00 0.00 N ATOM 660 CA VAL A 42 -3.347 4.807 3.694 1.00 0.00 C ATOM 661 C VAL A 42 -3.865 4.196 2.410 1.00 0.00 C ATOM 662 O VAL A 42 -4.646 3.253 2.462 1.00 0.00 O ATOM 663 CB VAL A 42 -1.876 4.438 3.831 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.372 4.976 5.159 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.736 2.915 3.849 1.00 0.00 C ATOM 0 H VAL A 42 -4.307 3.286 4.717 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.504 5.885 3.655 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.309 4.855 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.319 4.723 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.489 6.059 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.946 4.533 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.684 2.647 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.294 2.508 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.130 2.502 2.920 1.00 0.00 H new ATOM 675 N ASN A 43 -3.423 4.706 1.259 1.00 0.00 N ATOM 676 CA ASN A 43 -3.781 4.131 -0.017 1.00 0.00 C ATOM 677 C ASN A 43 -3.118 2.785 -0.151 1.00 0.00 C ATOM 678 O ASN A 43 -1.941 2.688 -0.479 1.00 0.00 O ATOM 679 CB ASN A 43 -3.297 4.992 -1.172 1.00 0.00 C ATOM 680 CG ASN A 43 -4.080 6.269 -1.383 1.00 0.00 C ATOM 681 OD1 ASN A 43 -4.954 6.640 -0.605 1.00 0.00 O ATOM 682 ND2 ASN A 43 -3.731 6.954 -2.460 1.00 0.00 N ATOM 0 H ASN A 43 -2.813 5.521 1.196 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.868 4.054 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.251 5.248 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.337 4.402 -2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.196 7.836 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.997 6.600 -3.074 1.00 0.00 H new ATOM 689 N ALA A 44 -3.930 1.762 0.054 1.00 0.00 N ATOM 690 CA ALA A 44 -3.607 0.363 -0.104 1.00 0.00 C ATOM 691 C ALA A 44 -2.943 0.128 -1.452 1.00 0.00 C ATOM 692 O ALA A 44 -1.907 -0.524 -1.549 1.00 0.00 O ATOM 693 CB ALA A 44 -4.915 -0.420 -0.077 1.00 0.00 C ATOM 0 H ALA A 44 -4.895 1.901 0.355 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.931 0.048 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.705 -1.483 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.420 -0.253 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.557 -0.085 -0.892 1.00 0.00 H new ATOM 699 N LYS A 45 -3.559 0.682 -2.495 1.00 0.00 N ATOM 700 CA LYS A 45 -3.061 0.536 -3.853 1.00 0.00 C ATOM 701 C LYS A 45 -1.860 1.448 -4.134 1.00 0.00 C ATOM 702 O LYS A 45 -1.254 1.371 -5.202 1.00 0.00 O ATOM 703 CB LYS A 45 -4.202 0.786 -4.836 1.00 0.00 C ATOM 704 CG LYS A 45 -4.845 2.150 -4.595 1.00 0.00 C ATOM 705 CD LYS A 45 -5.562 2.575 -5.873 1.00 0.00 C ATOM 706 CE LYS A 45 -6.718 1.628 -6.188 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.334 1.950 -7.486 1.00 0.00 N ATOM 0 H LYS A 45 -4.410 1.239 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.697 -0.483 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.825 0.734 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.953 0.003 -4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.549 2.096 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.087 2.884 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.939 3.592 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.857 2.585 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.356 0.600 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.469 1.693 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.148 1.323 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.654 2.939 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.636 1.815 -8.245 1.00 0.00 H new ATOM 721 N SER A 46 -1.547 2.358 -3.213 1.00 0.00 N ATOM 722 CA SER A 46 -0.401 3.235 -3.319 1.00 0.00 C ATOM 723 C SER A 46 0.748 2.753 -2.420 1.00 0.00 C ATOM 724 O SER A 46 0.601 1.837 -1.607 1.00 0.00 O ATOM 725 CB SER A 46 -0.827 4.664 -2.963 1.00 0.00 C ATOM 726 OG SER A 46 -1.942 5.090 -3.732 1.00 0.00 O ATOM 0 H SER A 46 -2.094 2.502 -2.365 1.00 0.00 H new ATOM 0 HA SER A 46 -0.030 3.221 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.076 4.715 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.009 5.344 -3.128 1.00 0.00 H new ATOM 0 HG SER A 46 -1.657 5.780 -4.367 1.00 0.00 H new ATOM 732 N ILE A 47 1.901 3.416 -2.551 1.00 0.00 N ATOM 733 CA ILE A 47 3.104 3.144 -1.768 1.00 0.00 C ATOM 734 C ILE A 47 2.842 3.138 -0.266 1.00 0.00 C ATOM 735 O ILE A 47 3.337 2.289 0.463 1.00 0.00 O ATOM 736 CB ILE A 47 4.153 4.228 -2.035 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.379 3.846 -1.190 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.568 5.593 -1.630 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.640 4.857 -0.072 1.00 0.00 C ATOM 0 H ILE A 47 2.024 4.175 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 47 3.449 2.156 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 47 4.437 4.302 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.227 2.857 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.257 3.781 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.305 6.374 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.672 5.793 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.312 5.579 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.515 4.549 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.818 5.841 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.773 4.903 0.587 1.00 0.00 H new ATOM 751 N MET A 48 2.115 4.135 0.217 1.00 0.00 N ATOM 752 CA MET A 48 1.926 4.267 1.638 1.00 0.00 C ATOM 753 C MET A 48 1.087 3.114 2.179 1.00 0.00 C ATOM 754 O MET A 48 1.185 2.776 3.358 1.00 0.00 O ATOM 755 CB MET A 48 1.389 5.669 1.903 1.00 0.00 C ATOM 756 CG MET A 48 1.151 5.906 3.392 1.00 0.00 C ATOM 757 SD MET A 48 0.421 7.512 3.779 1.00 0.00 S ATOM 758 CE MET A 48 1.587 8.575 2.903 1.00 0.00 C ATOM 0 H MET A 48 1.657 4.849 -0.350 1.00 0.00 H new ATOM 0 HA MET A 48 2.860 4.180 2.193 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.096 6.408 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.456 5.811 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.498 5.121 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.101 5.815 3.919 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.513 9.592 3.288 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.601 8.204 3.052 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.353 8.572 1.838 1.00 0.00 H new ATOM 768 N GLY A 49 0.288 2.480 1.321 1.00 0.00 N ATOM 769 CA GLY A 49 -0.365 1.255 1.695 1.00 0.00 C ATOM 770 C GLY A 49 0.703 0.178 1.606 1.00 0.00 C ATOM 771 O GLY A 49 1.215 -0.227 2.640 1.00 0.00 O ATOM 0 H GLY A 49 0.087 2.801 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.772 1.320 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.199 1.036 1.028 1.00 0.00 H new ATOM 775 N LEU A 50 1.081 -0.233 0.391 1.00 0.00 N ATOM 776 CA LEU A 50 2.067 -1.271 0.134 1.00 0.00 C ATOM 777 C LEU A 50 3.309 -1.180 1.015 1.00 0.00 C ATOM 778 O LEU A 50 3.522 -1.996 1.902 1.00 0.00 O ATOM 779 CB LEU A 50 2.463 -1.144 -1.338 1.00 0.00 C ATOM 780 CG LEU A 50 3.704 -1.944 -1.738 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.537 -3.439 -1.481 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.943 -1.712 -3.227 1.00 0.00 C ATOM 0 H LEU A 50 0.692 0.165 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 50 1.621 -2.237 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.625 -1.468 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.637 -0.092 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 50 4.548 -1.608 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.444 -3.963 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.355 -3.608 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.693 -3.815 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.823 -2.270 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.075 -2.051 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.102 -0.649 -3.409 1.00 0.00 H new ATOM 794 N MET A 51 4.157 -0.196 0.755 1.00 0.00 N ATOM 795 CA MET A 51 5.438 -0.127 1.411 1.00 0.00 C ATOM 796 C MET A 51 5.298 0.341 2.859 1.00 0.00 C ATOM 797 O MET A 51 6.068 -0.084 3.713 1.00 0.00 O ATOM 798 CB MET A 51 6.352 0.774 0.559 1.00 0.00 C ATOM 799 CG MET A 51 6.298 2.249 0.953 1.00 0.00 C ATOM 800 SD MET A 51 7.428 2.828 2.255 1.00 0.00 S ATOM 801 CE MET A 51 8.367 1.321 2.597 1.00 0.00 C ATOM 0 H MET A 51 3.975 0.560 0.095 1.00 0.00 H new ATOM 0 HA MET A 51 5.892 -1.115 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.379 0.421 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.069 0.676 -0.489 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.489 2.841 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.280 2.472 1.271 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.905 1.433 3.538 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.684 0.475 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.079 1.145 1.791 1.00 0.00 H new ATOM 811 N SER A 52 4.363 1.255 3.131 1.00 0.00 N ATOM 812 CA SER A 52 4.238 1.797 4.472 1.00 0.00 C ATOM 813 C SER A 52 3.448 0.907 5.434 1.00 0.00 C ATOM 814 O SER A 52 4.029 0.168 6.221 1.00 0.00 O ATOM 815 CB SER A 52 3.680 3.220 4.420 1.00 0.00 C ATOM 816 OG SER A 52 4.313 3.968 3.396 1.00 0.00 O ATOM 0 H SER A 52 3.698 1.624 2.452 1.00 0.00 H new ATOM 0 HA SER A 52 5.245 1.828 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.605 3.188 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.830 3.711 5.382 1.00 0.00 H new ATOM 0 HG SER A 52 5.216 3.618 3.246 1.00 0.00 H new ATOM 822 N LEU A 53 2.117 0.997 5.416 1.00 0.00 N ATOM 823 CA LEU A 53 1.282 0.296 6.387 1.00 0.00 C ATOM 824 C LEU A 53 1.278 -1.207 6.139 1.00 0.00 C ATOM 825 O LEU A 53 1.648 -2.009 6.999 1.00 0.00 O ATOM 826 CB LEU A 53 -0.139 0.844 6.342 1.00 0.00 C ATOM 827 CG LEU A 53 -0.182 2.217 7.005 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.386 2.176 8.419 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.589 3.232 6.173 1.00 0.00 C ATOM 0 H LEU A 53 1.595 1.551 4.737 1.00 0.00 H new ATOM 0 HA LEU A 53 1.702 0.466 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.478 0.918 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.819 0.162 6.852 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.228 2.517 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.339 3.172 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.197 1.483 9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.423 1.843 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.549 4.207 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.628 2.914 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.143 3.303 5.181 1.00 0.00 H new ATOM 841 N ALA A 54 0.851 -1.560 4.931 1.00 0.00 N ATOM 842 CA ALA A 54 0.703 -2.903 4.408 1.00 0.00 C ATOM 843 C ALA A 54 1.994 -3.713 4.454 1.00 0.00 C ATOM 844 O ALA A 54 1.939 -4.936 4.399 1.00 0.00 O ATOM 845 CB ALA A 54 0.156 -2.803 2.987 1.00 0.00 C ATOM 0 H ALA A 54 0.580 -0.857 4.244 1.00 0.00 H new ATOM 0 HA ALA A 54 0.006 -3.447 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.036 -3.804 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.810 -2.299 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.851 -2.235 2.369 1.00 0.00 H new ATOM 851 N VAL A 55 3.153 -3.075 4.596 1.00 0.00 N ATOM 852 CA VAL A 55 4.392 -3.819 4.731 1.00 0.00 C ATOM 853 C VAL A 55 4.489 -4.478 6.114 1.00 0.00 C ATOM 854 O VAL A 55 5.370 -5.297 6.372 1.00 0.00 O ATOM 855 CB VAL A 55 5.570 -2.884 4.465 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.913 -2.083 5.722 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.781 -3.699 4.024 1.00 0.00 C ATOM 0 H VAL A 55 3.255 -2.060 4.620 1.00 0.00 H new ATOM 0 HA VAL A 55 4.414 -4.624 3.997 1.00 0.00 H new ATOM 0 HB VAL A 55 5.293 -2.187 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.755 -1.422 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.050 -1.488 6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.179 -2.767 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.620 -3.030 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.050 -4.405 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.540 -4.245 3.112 1.00 0.00 H new ATOM 867 N SER A 56 3.589 -4.134 7.036 1.00 0.00 N ATOM 868 CA SER A 56 3.667 -4.667 8.378 1.00 0.00 C ATOM 869 C SER A 56 3.070 -6.064 8.490 1.00 0.00 C ATOM 870 O SER A 56 2.043 -6.245 9.151 1.00 0.00 O ATOM 871 CB SER A 56 2.994 -3.702 9.351 1.00 0.00 C ATOM 872 OG SER A 56 3.414 -2.375 9.094 1.00 0.00 O ATOM 0 H SER A 56 2.810 -3.496 6.872 1.00 0.00 H new ATOM 0 HA SER A 56 4.721 -4.766 8.636 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.911 -3.773 9.254 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.241 -3.977 10.376 1.00 0.00 H new ATOM 0 HG SER A 56 3.008 -2.059 8.260 1.00 0.00 H new ATOM 878 N THR A 57 3.719 -7.043 7.858 1.00 0.00 N ATOM 879 CA THR A 57 3.361 -8.447 7.927 1.00 0.00 C ATOM 880 C THR A 57 2.939 -8.877 9.335 1.00 0.00 C ATOM 881 O THR A 57 3.737 -8.849 10.269 1.00 0.00 O ATOM 882 CB THR A 57 4.547 -9.278 7.454 1.00 0.00 C ATOM 883 OG1 THR A 57 5.192 -8.625 6.381 1.00 0.00 O ATOM 884 CG2 THR A 57 4.006 -10.622 6.989 1.00 0.00 C ATOM 0 H THR A 57 4.532 -6.868 7.268 1.00 0.00 H new ATOM 0 HA THR A 57 2.498 -8.610 7.281 1.00 0.00 H new ATOM 0 HB THR A 57 5.269 -9.411 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.105 -8.970 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.830 -11.246 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.500 -11.117 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.300 -10.467 6.173 1.00 0.00 H new ATOM 892 N GLY A 58 1.676 -9.272 9.483 1.00 0.00 N ATOM 893 CA GLY A 58 1.121 -9.724 10.747 1.00 0.00 C ATOM 894 C GLY A 58 0.239 -8.679 11.431 1.00 0.00 C ATOM 895 O GLY A 58 -0.448 -9.006 12.395 1.00 0.00 O ATOM 0 H GLY A 58 1.005 -9.285 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.535 -10.627 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.937 -9.995 11.417 1.00 0.00 H new ATOM 899 N THR A 59 0.205 -7.439 10.942 1.00 0.00 N ATOM 900 CA THR A 59 -0.596 -6.412 11.596 1.00 0.00 C ATOM 901 C THR A 59 -2.043 -6.521 11.140 1.00 0.00 C ATOM 902 O THR A 59 -2.299 -6.525 9.938 1.00 0.00 O ATOM 903 CB THR A 59 -0.075 -5.011 11.270 1.00 0.00 C ATOM 904 OG1 THR A 59 1.326 -4.939 11.423 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.707 -3.991 12.213 1.00 0.00 C ATOM 0 H THR A 59 0.712 -7.129 10.113 1.00 0.00 H new ATOM 0 HA THR A 59 -0.528 -6.568 12.673 1.00 0.00 H new ATOM 0 HB THR A 59 -0.337 -4.795 10.234 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.758 -5.500 10.745 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.332 -2.995 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.790 -4.009 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.450 -4.240 13.243 1.00 0.00 H new ATOM 913 N GLU A 60 -2.989 -6.603 12.075 1.00 0.00 N ATOM 914 CA GLU A 60 -4.400 -6.632 11.726 1.00 0.00 C ATOM 915 C GLU A 60 -4.799 -5.247 11.217 1.00 0.00 C ATOM 916 O GLU A 60 -5.124 -4.351 11.994 1.00 0.00 O ATOM 917 CB GLU A 60 -5.233 -7.034 12.939 1.00 0.00 C ATOM 918 CG GLU A 60 -4.670 -8.283 13.619 1.00 0.00 C ATOM 919 CD GLU A 60 -5.007 -9.547 12.842 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.989 -9.499 12.069 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.280 -10.542 13.045 1.00 0.00 O ATOM 0 H GLU A 60 -2.800 -6.650 13.076 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.582 -7.369 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.259 -6.211 13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.262 -7.220 12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.588 -8.190 13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.071 -8.359 14.630 1.00 0.00 H new ATOM 928 N VAL A 61 -4.742 -5.066 9.903 1.00 0.00 N ATOM 929 CA VAL A 61 -5.034 -3.799 9.270 1.00 0.00 C ATOM 930 C VAL A 61 -6.263 -3.923 8.378 1.00 0.00 C ATOM 931 O VAL A 61 -6.584 -5.000 7.873 1.00 0.00 O ATOM 932 CB VAL A 61 -3.799 -3.312 8.505 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.617 -3.250 9.466 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.410 -4.287 7.404 1.00 0.00 C ATOM 0 H VAL A 61 -4.489 -5.805 9.247 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.270 -3.051 10.027 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.037 -2.339 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.732 -2.904 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.844 -2.559 10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.429 -4.242 9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.530 -3.912 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.185 -5.259 7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.236 -4.389 6.700 1.00 0.00 H new ATOM 944 N THR A 62 -6.971 -2.816 8.198 1.00 0.00 N ATOM 945 CA THR A 62 -8.181 -2.792 7.412 1.00 0.00 C ATOM 946 C THR A 62 -7.893 -2.597 5.936 1.00 0.00 C ATOM 947 O THR A 62 -7.319 -1.576 5.561 1.00 0.00 O ATOM 948 CB THR A 62 -9.025 -1.602 7.837 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.859 -1.272 9.198 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.476 -1.957 7.548 1.00 0.00 C ATOM 0 H THR A 62 -6.716 -1.912 8.596 1.00 0.00 H new ATOM 0 HA THR A 62 -8.685 -3.745 7.571 1.00 0.00 H new ATOM 0 HB THR A 62 -8.709 -0.721 7.279 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.269 -0.400 9.376 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.119 -1.126 7.840 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.597 -2.153 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.753 -2.846 8.114 1.00 0.00 H new ATOM 958 N LEU A 63 -8.312 -3.523 5.082 1.00 0.00 N ATOM 959 CA LEU A 63 -8.218 -3.268 3.665 1.00 0.00 C ATOM 960 C LEU A 63 -9.502 -2.584 3.240 1.00 0.00 C ATOM 961 O LEU A 63 -10.597 -3.142 3.298 1.00 0.00 O ATOM 962 CB LEU A 63 -7.878 -4.526 2.886 1.00 0.00 C ATOM 963 CG LEU A 63 -6.353 -4.554 2.880 1.00 0.00 C ATOM 964 CD1 LEU A 63 -5.825 -5.863 2.331 1.00 0.00 C ATOM 965 CD2 LEU A 63 -5.824 -3.427 1.997 1.00 0.00 C ATOM 0 H LEU A 63 -8.707 -4.427 5.342 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.388 -2.600 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.292 -5.415 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.281 -4.490 1.874 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.018 -4.436 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.735 -5.849 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.183 -6.687 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.177 -5.997 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.734 -3.448 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.193 -3.558 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.167 -2.468 2.386 1.00 0.00 H new ATOM 977 N ILE A 64 -9.329 -1.314 2.911 1.00 0.00 N ATOM 978 CA ILE A 64 -10.349 -0.390 2.495 1.00 0.00 C ATOM 979 C ILE A 64 -10.403 -0.310 0.983 1.00 0.00 C ATOM 980 O ILE A 64 -9.426 -0.576 0.286 1.00 0.00 O ATOM 981 CB ILE A 64 -9.967 1.018 2.961 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.589 1.151 4.430 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.133 1.958 2.684 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.604 2.643 4.745 1.00 0.00 C ATOM 0 H ILE A 64 -8.406 -0.881 2.932 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.298 -0.729 2.911 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.067 1.270 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.295 0.613 5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.604 0.724 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.874 2.965 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.347 1.968 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.014 1.615 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.339 2.797 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.883 3.156 4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.601 3.044 4.561 1.00 0.00 H new ATOM 996 N ALA A 65 -11.537 0.153 0.487 1.00 0.00 N ATOM 997 CA ALA A 65 -11.708 0.547 -0.874 1.00 0.00 C ATOM 998 C ALA A 65 -12.725 1.653 -0.804 1.00 0.00 C ATOM 999 O ALA A 65 -13.772 1.519 -0.172 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.159 -0.607 -1.750 1.00 0.00 C ATOM 0 H ALA A 65 -12.381 0.263 1.049 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.777 0.876 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.276 -0.260 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.413 -1.401 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.112 -0.990 -1.385 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.354 2.781 -1.375 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.192 3.939 -1.383 1.00 0.00 C ATOM 1008 C GLN A 66 -13.421 4.300 -2.833 1.00 0.00 C ATOM 1009 O GLN A 66 -13.037 5.368 -3.310 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.464 4.998 -0.566 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.358 6.199 -0.364 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.578 7.350 0.247 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.589 7.528 1.459 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.859 8.121 -0.564 1.00 0.00 N ATOM 0 H GLN A 66 -11.458 2.910 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.176 3.805 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.171 4.586 0.400 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.549 5.297 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.783 6.507 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.192 5.933 0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.868 7.951 -1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.299 8.882 -0.180 1.00 0.00 H new ATOM 1023 N GLY A 67 -13.987 3.352 -3.565 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.165 3.463 -4.990 1.00 0.00 C ATOM 1025 C GLY A 67 -15.439 2.815 -5.480 1.00 0.00 C ATOM 1026 O GLY A 67 -16.280 2.363 -4.706 1.00 0.00 O ATOM 0 H GLY A 67 -14.337 2.477 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.170 4.517 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.314 3.004 -5.493 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.497 2.720 -6.802 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.539 2.097 -7.583 1.00 0.00 C ATOM 1032 C GLU A 68 -16.757 0.654 -7.148 1.00 0.00 C ATOM 1033 O GLU A 68 -17.870 0.146 -7.226 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.095 2.127 -9.046 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.774 3.554 -9.502 1.00 0.00 C ATOM 1036 CD GLU A 68 -16.943 4.498 -9.262 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -16.991 5.078 -8.155 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.768 4.618 -10.191 1.00 0.00 O ATOM 0 H GLU A 68 -14.760 3.107 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.478 2.633 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.216 1.496 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.881 1.710 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.897 3.918 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.522 3.549 -10.562 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.692 -0.019 -6.702 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.824 -1.388 -6.262 1.00 0.00 C ATOM 1047 C ASP A 69 -15.660 -1.463 -4.765 1.00 0.00 C ATOM 1048 O ASP A 69 -15.503 -2.580 -4.305 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.736 -2.263 -6.874 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.730 -2.223 -8.391 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.754 -2.629 -8.978 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.683 -1.797 -8.926 1.00 0.00 O ATOM 0 H ASP A 69 -14.749 0.364 -6.641 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.809 -1.738 -6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.764 -1.938 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.876 -3.292 -6.543 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.793 -0.365 -4.007 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.413 -0.228 -2.612 1.00 0.00 C ATOM 1059 C GLU A 70 -15.532 -1.536 -1.841 1.00 0.00 C ATOM 1060 O GLU A 70 -14.512 -2.212 -1.713 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.358 0.833 -2.057 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.438 0.893 -0.533 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.870 1.165 -0.117 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.710 0.311 -0.476 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.100 2.203 0.539 1.00 0.00 O ATOM 0 H GLU A 70 -16.193 0.495 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.365 0.054 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.043 1.808 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.358 0.650 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.094 -0.047 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.782 1.676 -0.153 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.726 -1.903 -1.362 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.949 -3.118 -0.589 1.00 0.00 C ATOM 1074 C GLN A 71 -16.213 -4.322 -1.182 1.00 0.00 C ATOM 1075 O GLN A 71 -15.563 -5.067 -0.448 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.460 -3.362 -0.522 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.837 -4.629 0.248 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.373 -4.577 1.694 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.105 -4.888 1.929 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -19.143 -4.259 2.592 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.573 -1.353 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.544 -2.989 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.939 -2.503 -0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.855 -3.431 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.918 -4.762 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.396 -5.496 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -20.112 -4.026 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -18.815 -4.227 3.557 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.303 -4.477 -2.501 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.688 -5.548 -3.252 1.00 0.00 C ATOM 1091 C GLU A 72 -14.170 -5.484 -3.113 1.00 0.00 C ATOM 1092 O GLU A 72 -13.546 -6.441 -2.664 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.139 -5.367 -4.706 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.277 -6.111 -5.725 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.304 -7.626 -5.547 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.158 -8.104 -4.769 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.461 -8.282 -6.196 1.00 0.00 O ATOM 0 H GLU A 72 -16.828 -3.831 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.988 -6.529 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.170 -5.708 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.132 -4.304 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.620 -5.864 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.248 -5.761 -5.644 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.600 -4.345 -3.498 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.192 -4.027 -3.504 1.00 0.00 C ATOM 1106 C ALA A 73 -11.576 -4.345 -2.150 1.00 0.00 C ATOM 1107 O ALA A 73 -10.607 -5.099 -2.043 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.129 -2.532 -3.816 1.00 0.00 C ATOM 0 H ALA A 73 -14.163 -3.566 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.631 -4.609 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.088 -2.209 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.589 -2.343 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.664 -1.977 -3.046 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.172 -3.762 -1.113 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.721 -3.923 0.250 1.00 0.00 C ATOM 1116 C LEU A 74 -11.815 -5.383 0.697 1.00 0.00 C ATOM 1117 O LEU A 74 -10.857 -5.902 1.271 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.461 -2.912 1.123 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.978 -3.020 1.040 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.513 -3.645 2.313 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.564 -1.619 0.892 1.00 0.00 C ATOM 0 H LEU A 74 -12.990 -3.160 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.659 -3.699 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.153 -3.047 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.161 -1.906 0.830 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.255 -3.638 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.599 -3.722 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.085 -4.640 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.240 -3.024 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.650 -1.684 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.284 -1.014 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.177 -1.157 -0.016 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.925 -6.069 0.389 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.059 -7.489 0.691 1.00 0.00 C ATOM 1135 C GLU A 75 -11.934 -8.289 0.041 1.00 0.00 C ATOM 1136 O GLU A 75 -11.266 -9.069 0.711 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.403 -8.018 0.193 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.531 -7.447 1.042 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.880 -7.985 0.591 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.240 -9.081 1.070 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.525 -7.288 -0.223 1.00 0.00 O ATOM 0 H GLU A 75 -13.739 -5.658 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.002 -7.606 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.547 -7.743 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.415 -9.107 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.366 -7.700 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.528 -6.359 0.973 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.738 -8.093 -1.265 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.710 -8.763 -2.050 1.00 0.00 C ATOM 1150 C LYS A 76 -9.359 -8.621 -1.372 1.00 0.00 C ATOM 1151 O LYS A 76 -8.697 -9.608 -1.054 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.634 -8.106 -3.427 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.997 -8.161 -4.101 1.00 0.00 C ATOM 1154 CD LYS A 76 -12.304 -9.555 -4.637 1.00 0.00 C ATOM 1155 CE LYS A 76 -11.264 -9.893 -5.699 1.00 0.00 C ATOM 1156 NZ LYS A 76 -11.418 -11.286 -6.143 1.00 0.00 N ATOM 0 H LYS A 76 -12.305 -7.448 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.961 -9.820 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.309 -7.070 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.893 -8.616 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.768 -7.867 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.028 -7.441 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.276 -10.288 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.307 -9.587 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.371 -9.220 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.262 -9.741 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.702 -11.501 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.293 -11.925 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.368 -11.419 -6.545 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.968 -7.370 -1.143 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.698 -7.062 -0.524 1.00 0.00 C ATOM 1172 C LEU A 77 -7.564 -7.715 0.846 1.00 0.00 C ATOM 1173 O LEU A 77 -6.606 -8.452 1.070 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.555 -5.549 -0.461 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.836 -5.042 -1.713 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.345 -5.122 -1.460 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.052 -5.932 -2.929 1.00 0.00 C ATOM 0 H LEU A 77 -9.525 -6.550 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.885 -7.474 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.538 -5.085 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.996 -5.264 0.430 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.221 -4.041 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.807 -4.766 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.088 -4.502 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.065 -6.156 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.516 -5.518 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.678 -6.934 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.116 -5.983 -3.158 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.497 -7.459 1.770 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.398 -8.033 3.106 1.00 0.00 C ATOM 1191 C ALA A 78 -8.422 -9.556 3.060 1.00 0.00 C ATOM 1192 O ALA A 78 -7.812 -10.211 3.900 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.477 -7.475 4.024 1.00 0.00 C ATOM 0 H ALA A 78 -9.314 -6.868 1.617 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.434 -7.742 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.379 -7.921 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.366 -6.393 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.460 -7.711 3.616 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.117 -10.140 2.085 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.092 -11.570 1.864 1.00 0.00 C ATOM 1201 C ALA A 79 -7.664 -11.993 1.549 1.00 0.00 C ATOM 1202 O ALA A 79 -7.089 -12.861 2.208 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.963 -11.882 0.650 1.00 0.00 C ATOM 0 H ALA A 79 -9.710 -9.629 1.431 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.456 -12.096 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.958 -12.956 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.984 -11.551 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.570 -11.362 -0.223 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.090 -11.333 0.543 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.793 -11.688 0.020 1.00 0.00 C ATOM 1211 C TYR A 80 -4.660 -11.519 1.025 1.00 0.00 C ATOM 1212 O TYR A 80 -3.824 -12.401 1.181 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.561 -10.831 -1.215 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.268 -11.160 -1.911 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.067 -12.462 -2.396 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.203 -10.243 -1.886 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.801 -12.851 -2.862 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -1.934 -10.636 -2.343 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.733 -11.941 -2.822 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.499 -12.320 -3.260 1.00 0.00 O ATOM 0 H TYR A 80 -7.522 -10.537 0.074 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.790 -12.751 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.389 -10.969 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.558 -9.779 -0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.887 -13.165 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.360 -9.240 -1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.649 -13.847 -3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.113 -9.935 -2.326 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.556 -13.209 -3.668 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.616 -10.380 1.704 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.514 -10.010 2.584 1.00 0.00 C ATOM 1232 C VAL A 81 -3.321 -10.892 3.799 1.00 0.00 C ATOM 1233 O VAL A 81 -2.204 -11.030 4.277 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.762 -8.599 3.078 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -3.885 -7.764 1.823 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.060 -8.567 3.888 1.00 0.00 C ATOM 0 H VAL A 81 -5.354 -9.678 1.659 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.610 -10.118 1.985 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.969 -8.228 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.066 -6.724 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.962 -7.833 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.716 -8.132 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.241 -7.553 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.891 -8.884 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.974 -9.242 4.740 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.403 -11.437 4.328 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.358 -12.212 5.554 1.00 0.00 C ATOM 1248 C GLN A 82 -4.299 -13.719 5.313 1.00 0.00 C ATOM 1249 O GLN A 82 -3.856 -14.476 6.171 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.664 -11.921 6.282 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.750 -12.366 5.317 1.00 0.00 C ATOM 1252 CD GLN A 82 -8.052 -12.769 5.969 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -9.128 -12.264 5.393 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -8.088 -13.507 6.946 1.00 0.00 N flip ATOM 0 H GLN A 82 -5.334 -11.355 3.920 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.461 -11.936 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.723 -12.467 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.757 -10.862 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.947 -11.555 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.376 -13.208 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.221 -13.866 7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.985 -13.763 7.359 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.794 -14.126 4.145 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.132 -15.477 3.751 1.00 0.00 C ATOM 1265 C GLU A 83 -4.153 -16.595 4.131 1.00 0.00 C ATOM 1266 O GLU A 83 -4.579 -17.597 4.696 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.479 -15.394 2.270 1.00 0.00 C ATOM 1268 CG GLU A 83 -4.220 -15.205 1.423 1.00 0.00 C ATOM 1269 CD GLU A 83 -4.525 -15.143 -0.065 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -5.595 -14.596 -0.411 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -3.672 -15.640 -0.831 1.00 0.00 O ATOM 0 H GLU A 83 -4.981 -13.460 3.396 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.979 -15.818 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.996 -16.303 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.165 -14.564 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.716 -14.287 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.530 -16.026 1.615 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.865 -16.467 3.811 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.911 -17.525 4.110 1.00 0.00 C ATOM 1280 C GLU A 84 -0.701 -16.995 4.877 1.00 0.00 C ATOM 1281 O GLU A 84 -0.809 -16.689 6.062 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.577 -18.265 2.813 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.270 -17.286 1.679 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.329 -17.978 0.326 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.261 -18.791 0.145 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -0.435 -17.682 -0.495 1.00 0.00 O ATOM 0 H GLU A 84 -2.465 -15.649 3.350 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.350 -18.254 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.719 -18.918 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.414 -18.903 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.985 -16.463 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.281 -16.853 1.826 1.00 0.00 H new ATOM 1293 N VAL A 85 0.443 -16.893 4.200 1.00 0.00 N ATOM 1294 CA VAL A 85 1.699 -16.340 4.701 1.00 0.00 C ATOM 1295 C VAL A 85 2.490 -15.866 3.481 1.00 0.00 C ATOM 1296 O VAL A 85 2.673 -16.681 2.524 1.00 0.00 O ATOM 1297 CB VAL A 85 2.514 -17.425 5.512 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.952 -17.807 6.910 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.691 -18.767 4.762 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.953 -14.685 3.426 1.00 0.00 O ATOM 0 H VAL A 85 0.521 -17.212 3.234 1.00 0.00 H new ATOM 0 HA VAL A 85 1.510 -15.515 5.387 1.00 0.00 H new ATOM 0 HB VAL A 85 3.459 -16.896 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.595 -18.558 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.921 -16.921 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.945 -18.210 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.260 -19.459 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.712 -19.195 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.226 -18.594 3.828 1.00 0.00 H new