USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 869 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 8 HIS : no HE2:sc= -2.07 K(o=-1.4,f=-13!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -141:sc= 0.665 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.4!) USER MOD Single : A 24 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.63) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 153:sc= -5.45! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= -1.25 (180deg=-1.28) USER MOD Single : A 68 THR OG1 : rot -36:sc= 0.93 USER MOD Single : A 71 SER OG : rot 180:sc= 0.163 USER MOD Single : A 75 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.2!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 77 TYR OH : rot -150:sc= -0.0721 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 84 THR OG1 : rot -39:sc= -2.28! USER MOD Single : A 86 LYS NZ :NH3+ -162:sc=-0.00572 (180deg=-0.247) USER MOD Single : A 90 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.1) USER MOD Single : A 93 THR OG1 : rot 10:sc= 0.0634 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -171:sc= -5.73! USER MOD Single : A 100 THR OG1 : rot 27:sc= 0.26 USER MOD Single : A 110 ASN : amide:sc= -0.129 K(o=-0.13,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -5.336 3.357 12.931 1.00 1.37 N ATOM 40 CA GLU A 4 -4.942 2.007 13.431 1.00 1.14 C ATOM 41 C GLU A 4 -3.809 1.436 12.571 1.00 0.89 C ATOM 42 O GLU A 4 -3.903 1.387 11.361 1.00 1.30 O ATOM 43 CB GLU A 4 -6.204 1.154 13.294 1.00 1.67 C ATOM 44 CG GLU A 4 -5.961 -0.226 13.911 1.00 2.39 C ATOM 45 CD GLU A 4 -4.704 -0.182 14.782 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.645 0.664 15.659 1.00 3.05 O ATOM 47 OE2 GLU A 4 -3.820 -0.992 14.555 1.00 3.09 O ATOM 0 HA GLU A 4 -4.577 2.034 14.458 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.042 1.643 13.791 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.473 1.051 12.243 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.821 -0.525 14.510 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -5.846 -0.972 13.125 1.00 2.39 H new ATOM 54 N GLU A 5 -2.741 1.005 13.186 1.00 1.00 N ATOM 55 CA GLU A 5 -1.608 0.439 12.398 1.00 0.81 C ATOM 56 C GLU A 5 -1.155 -0.893 12.999 1.00 0.87 C ATOM 57 O GLU A 5 -0.860 -0.986 14.174 1.00 1.15 O ATOM 58 CB GLU A 5 -0.493 1.480 12.500 1.00 0.95 C ATOM 59 CG GLU A 5 -0.987 2.816 11.943 1.00 1.46 C ATOM 60 CD GLU A 5 0.213 3.703 11.608 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.256 3.507 12.208 1.00 2.50 O ATOM 62 OE2 GLU A 5 0.067 4.564 10.756 1.00 2.19 O ATOM 0 H GLU A 5 -2.604 1.020 14.197 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.887 0.240 11.363 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.186 1.599 13.539 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.383 1.145 11.945 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.590 2.649 11.051 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -1.627 3.312 12.672 1.00 1.46 H new ATOM 69 N GLU A 6 -1.106 -1.926 12.204 1.00 0.79 N ATOM 70 CA GLU A 6 -0.684 -3.252 12.731 1.00 1.04 C ATOM 71 C GLU A 6 0.546 -3.780 11.982 1.00 1.10 C ATOM 72 O GLU A 6 0.696 -3.578 10.794 1.00 1.76 O ATOM 73 CB GLU A 6 -1.886 -4.160 12.483 1.00 1.28 C ATOM 74 CG GLU A 6 -2.265 -4.126 10.999 1.00 1.68 C ATOM 75 CD GLU A 6 -3.295 -5.221 10.710 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.326 -5.224 11.364 1.00 2.24 O ATOM 77 OE2 GLU A 6 -3.036 -6.037 9.841 1.00 2.63 O ATOM 0 H GLU A 6 -1.340 -1.908 11.211 1.00 0.79 H new ATOM 0 HA GLU A 6 -0.402 -3.202 13.783 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.650 -5.181 12.784 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.730 -3.835 13.091 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -2.674 -3.150 10.739 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -1.378 -4.274 10.383 1.00 1.68 H new ATOM 84 N ASP A 7 1.417 -4.469 12.670 1.00 1.27 N ATOM 85 CA ASP A 7 2.633 -5.030 12.007 1.00 1.35 C ATOM 86 C ASP A 7 3.363 -3.958 11.192 1.00 1.28 C ATOM 87 O ASP A 7 3.578 -4.108 10.005 1.00 2.01 O ATOM 88 CB ASP A 7 2.106 -6.132 11.088 1.00 1.53 C ATOM 89 CG ASP A 7 2.231 -7.485 11.792 1.00 1.92 C ATOM 90 OD1 ASP A 7 3.225 -7.689 12.468 1.00 2.57 O ATOM 91 OD2 ASP A 7 1.330 -8.293 11.643 1.00 2.36 O ATOM 0 H ASP A 7 1.339 -4.669 13.667 1.00 1.27 H new ATOM 0 HA ASP A 7 3.353 -5.404 12.735 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.065 -5.939 10.830 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.669 -6.142 10.155 1.00 1.53 H new ATOM 96 N HIS A 8 3.754 -2.881 11.818 1.00 1.21 N ATOM 97 CA HIS A 8 4.479 -1.804 11.076 1.00 1.11 C ATOM 98 C HIS A 8 3.722 -1.419 9.801 1.00 0.81 C ATOM 99 O HIS A 8 4.292 -0.901 8.862 1.00 0.87 O ATOM 100 CB HIS A 8 5.837 -2.412 10.727 1.00 1.32 C ATOM 101 CG HIS A 8 6.595 -2.704 11.991 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.885 -3.997 12.397 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.129 -1.881 12.951 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.566 -3.915 13.555 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.742 -2.647 13.937 1.00 2.33 N ATOM 0 H HIS A 8 3.604 -2.698 12.810 1.00 1.21 H new ATOM 0 HA HIS A 8 4.574 -0.894 11.669 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.700 -3.328 10.152 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.405 -1.724 10.100 1.00 1.32 H new ATOM 0 HD1 HIS A 8 6.629 -4.854 11.907 1.00 2.30 H new ATOM 0 HD2 HIS A 8 7.081 -0.802 12.942 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.926 -4.770 14.108 1.00 2.53 H new ATOM 113 N VAL A 9 2.442 -1.666 9.763 1.00 0.69 N ATOM 114 CA VAL A 9 1.643 -1.314 8.555 1.00 0.49 C ATOM 115 C VAL A 9 0.400 -0.534 8.987 1.00 0.41 C ATOM 116 O VAL A 9 -0.110 -0.732 10.073 1.00 0.54 O ATOM 117 CB VAL A 9 1.255 -2.657 7.933 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.392 -2.418 6.696 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.519 -3.423 7.530 1.00 0.89 C ATOM 0 H VAL A 9 1.912 -2.098 10.520 1.00 0.69 H new ATOM 0 HA VAL A 9 2.190 -0.691 7.847 1.00 0.49 H new ATOM 0 HB VAL A 9 0.693 -3.241 8.662 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.116 -3.376 6.254 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.510 -1.877 6.981 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.953 -1.831 5.969 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.239 -4.379 7.087 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.083 -2.838 6.804 1.00 0.89 H new ATOM 0 HG23 VAL A 9 3.135 -3.598 8.412 1.00 0.89 H new ATOM 129 N LEU A 10 -0.090 0.359 8.168 1.00 0.41 N ATOM 130 CA LEU A 10 -1.289 1.138 8.579 1.00 0.54 C ATOM 131 C LEU A 10 -2.483 0.833 7.683 1.00 0.42 C ATOM 132 O LEU A 10 -2.388 0.112 6.711 1.00 0.59 O ATOM 133 CB LEU A 10 -0.894 2.609 8.446 1.00 0.83 C ATOM 134 CG LEU A 10 -0.273 2.876 7.072 1.00 0.96 C ATOM 135 CD1 LEU A 10 -0.890 4.144 6.479 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.237 3.066 7.224 1.00 1.49 C ATOM 0 H LEU A 10 0.284 0.579 7.245 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.589 0.883 9.596 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.771 3.241 8.584 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.184 2.873 9.230 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.467 2.031 6.411 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -0.451 4.339 5.500 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.967 4.010 6.374 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -0.692 4.988 7.140 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.680 3.256 6.246 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.433 3.913 7.882 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.676 2.165 7.652 1.00 1.49 H new ATOM 148 N VAL A 11 -3.608 1.389 8.017 1.00 0.54 N ATOM 149 CA VAL A 11 -4.835 1.158 7.205 1.00 0.46 C ATOM 150 C VAL A 11 -5.377 2.492 6.685 1.00 0.43 C ATOM 151 O VAL A 11 -5.130 3.537 7.256 1.00 0.54 O ATOM 152 CB VAL A 11 -5.834 0.518 8.168 1.00 0.61 C ATOM 153 CG1 VAL A 11 -7.149 0.247 7.433 1.00 1.04 C ATOM 154 CG2 VAL A 11 -5.265 -0.799 8.698 1.00 1.39 C ATOM 0 H VAL A 11 -3.734 1.999 8.824 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.644 0.527 6.337 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.016 1.195 9.003 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.862 -0.210 8.119 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.556 1.186 7.058 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.966 -0.429 6.597 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.979 -1.254 9.385 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -5.080 -1.477 7.865 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -4.329 -0.606 9.223 1.00 1.39 H new ATOM 164 N LEU A 12 -6.113 2.467 5.611 1.00 0.40 N ATOM 165 CA LEU A 12 -6.668 3.735 5.061 1.00 0.45 C ATOM 166 C LEU A 12 -8.196 3.722 5.157 1.00 0.44 C ATOM 167 O LEU A 12 -8.798 2.713 5.468 1.00 0.58 O ATOM 168 CB LEU A 12 -6.212 3.768 3.602 1.00 0.63 C ATOM 169 CG LEU A 12 -5.484 5.085 3.319 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.304 5.240 4.281 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.967 5.080 1.878 1.00 1.16 C ATOM 0 H LEU A 12 -6.355 1.624 5.090 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.325 4.613 5.608 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.552 2.925 3.398 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.072 3.667 2.940 1.00 0.63 H new ATOM 0 HG LEU A 12 -6.175 5.916 3.458 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.789 6.178 4.076 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.670 5.243 5.308 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.612 4.409 4.145 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -4.448 6.017 1.674 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -4.278 4.247 1.742 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.806 4.973 1.191 1.00 1.16 H new ATOM 183 N ARG A 13 -8.829 4.834 4.902 1.00 0.47 N ATOM 184 CA ARG A 13 -10.316 4.877 4.992 1.00 0.55 C ATOM 185 C ARG A 13 -10.885 5.985 4.100 1.00 0.54 C ATOM 186 O ARG A 13 -10.226 6.484 3.209 1.00 0.73 O ATOM 187 CB ARG A 13 -10.609 5.174 6.461 1.00 0.69 C ATOM 188 CG ARG A 13 -11.230 3.940 7.120 1.00 1.19 C ATOM 189 CD ARG A 13 -11.205 4.105 8.641 1.00 1.28 C ATOM 190 NE ARG A 13 -12.293 5.078 8.936 1.00 1.86 N ATOM 191 CZ ARG A 13 -13.097 4.871 9.942 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.987 3.919 9.880 1.00 2.84 N ATOM 193 NH2 ARG A 13 -13.012 5.617 11.009 1.00 2.68 N ATOM 0 H ARG A 13 -8.383 5.712 4.636 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.772 3.945 4.657 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.690 5.450 6.977 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.288 6.023 6.543 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -12.255 3.808 6.775 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.679 3.045 6.832 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.377 3.154 9.145 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.239 4.476 8.983 1.00 1.28 H new ATOM 0 HE ARG A 13 -12.409 5.906 8.352 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -14.054 3.337 9.045 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -14.616 3.757 10.666 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -12.317 6.362 11.056 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.641 5.455 11.796 1.00 2.68 H new ATOM 207 N LYS A 14 -12.111 6.366 4.335 1.00 0.58 N ATOM 208 CA LYS A 14 -12.747 7.437 3.508 1.00 0.63 C ATOM 209 C LYS A 14 -12.019 8.772 3.688 1.00 0.65 C ATOM 210 O LYS A 14 -12.121 9.660 2.864 1.00 0.83 O ATOM 211 CB LYS A 14 -14.179 7.539 4.035 1.00 0.74 C ATOM 212 CG LYS A 14 -15.132 6.846 3.059 1.00 1.26 C ATOM 213 CD LYS A 14 -16.545 6.842 3.644 1.00 1.92 C ATOM 214 CE LYS A 14 -17.564 7.041 2.518 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.382 8.211 2.942 1.00 2.80 N ATOM 0 H LYS A 14 -12.705 5.980 5.069 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.710 7.204 2.444 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.249 7.076 5.019 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.461 8.585 4.154 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -15.126 7.362 2.099 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.801 5.824 2.874 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.735 5.900 4.158 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.646 7.635 4.385 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.068 7.230 1.566 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -18.183 6.154 2.384 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -19.104 8.410 2.220 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.847 7.999 3.848 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.767 9.042 3.054 1.00 2.80 H new ATOM 229 N SER A 15 -11.296 8.929 4.761 1.00 0.68 N ATOM 230 CA SER A 15 -10.576 10.219 4.992 1.00 0.88 C ATOM 231 C SER A 15 -9.084 9.979 5.254 1.00 0.81 C ATOM 232 O SER A 15 -8.276 10.881 5.149 1.00 1.05 O ATOM 233 CB SER A 15 -11.243 10.824 6.227 1.00 1.10 C ATOM 234 OG SER A 15 -12.163 11.828 5.824 1.00 1.68 O ATOM 0 H SER A 15 -11.171 8.224 5.488 1.00 0.68 H new ATOM 0 HA SER A 15 -10.634 10.876 4.124 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.760 10.048 6.792 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.489 11.251 6.888 1.00 1.10 H new ATOM 0 HG SER A 15 -12.592 12.215 6.615 1.00 1.68 H new ATOM 240 N ASN A 16 -8.712 8.779 5.599 1.00 0.65 N ATOM 241 CA ASN A 16 -7.274 8.489 5.872 1.00 0.68 C ATOM 242 C ASN A 16 -6.459 8.566 4.578 1.00 0.55 C ATOM 243 O ASN A 16 -5.298 8.922 4.584 1.00 0.56 O ATOM 244 CB ASN A 16 -7.267 7.064 6.419 1.00 0.87 C ATOM 245 CG ASN A 16 -6.980 7.080 7.917 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.257 7.926 8.406 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.524 6.167 8.671 1.00 0.98 N ATOM 0 H ASN A 16 -9.342 7.984 5.704 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.831 9.203 6.566 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.230 6.589 6.230 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.512 6.471 5.902 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.344 6.161 9.675 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -8.130 5.459 8.257 1.00 0.98 H new ATOM 254 N PHE A 17 -7.059 8.228 3.471 1.00 0.55 N ATOM 255 CA PHE A 17 -6.319 8.272 2.176 1.00 0.51 C ATOM 256 C PHE A 17 -5.721 9.661 1.942 1.00 0.46 C ATOM 257 O PHE A 17 -4.519 9.828 1.894 1.00 0.52 O ATOM 258 CB PHE A 17 -7.369 7.955 1.111 1.00 0.56 C ATOM 259 CG PHE A 17 -6.689 7.787 -0.227 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.188 8.904 -0.905 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.563 6.511 -0.792 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.561 8.748 -2.146 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.936 6.355 -2.033 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.423 7.477 -2.706 1.00 0.87 C ATOM 0 H PHE A 17 -8.030 7.923 3.405 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.487 7.568 2.157 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.908 7.045 1.375 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.105 8.757 1.059 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.285 9.888 -0.470 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.950 5.648 -0.270 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.183 9.613 -2.672 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.846 5.373 -2.473 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.923 7.356 -3.655 1.00 0.87 H new ATOM 274 N ALA A 18 -6.549 10.657 1.792 1.00 0.52 N ATOM 275 CA ALA A 18 -6.029 12.036 1.552 1.00 0.66 C ATOM 276 C ALA A 18 -5.007 12.417 2.627 1.00 0.59 C ATOM 277 O ALA A 18 -4.175 13.279 2.427 1.00 0.75 O ATOM 278 CB ALA A 18 -7.256 12.943 1.636 1.00 0.84 C ATOM 0 H ALA A 18 -7.565 10.577 1.825 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.522 12.121 0.591 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.956 13.978 1.470 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.979 12.648 0.875 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.710 12.851 2.623 1.00 0.84 H new ATOM 284 N GLU A 19 -5.061 11.783 3.764 1.00 0.46 N ATOM 285 CA GLU A 19 -4.093 12.111 4.846 1.00 0.49 C ATOM 286 C GLU A 19 -2.811 11.301 4.660 1.00 0.48 C ATOM 287 O GLU A 19 -1.739 11.843 4.479 1.00 0.56 O ATOM 288 CB GLU A 19 -4.798 11.707 6.139 1.00 0.55 C ATOM 289 CG GLU A 19 -3.938 12.116 7.336 1.00 0.69 C ATOM 290 CD GLU A 19 -4.336 13.520 7.797 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.470 13.902 7.555 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.501 14.190 8.383 1.00 1.66 O ATOM 0 H GLU A 19 -5.734 11.051 3.991 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.810 13.164 4.848 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.775 12.186 6.198 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.970 10.631 6.151 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -4.069 11.404 8.151 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.883 12.097 7.062 1.00 0.69 H new ATOM 299 N ALA A 20 -2.918 10.004 4.701 1.00 0.45 N ATOM 300 CA ALA A 20 -1.711 9.150 4.523 1.00 0.53 C ATOM 301 C ALA A 20 -0.988 9.522 3.225 1.00 0.57 C ATOM 302 O ALA A 20 0.205 9.334 3.091 1.00 0.71 O ATOM 303 CB ALA A 20 -2.249 7.720 4.452 1.00 0.57 C ATOM 0 H ALA A 20 -3.790 9.497 4.850 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.990 9.274 5.331 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.419 7.025 4.321 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.777 7.484 5.376 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.934 7.630 3.609 1.00 0.57 H new ATOM 309 N LEU A 21 -1.701 10.053 2.268 1.00 0.55 N ATOM 310 CA LEU A 21 -1.056 10.441 0.980 1.00 0.69 C ATOM 311 C LEU A 21 -0.168 11.667 1.184 1.00 0.75 C ATOM 312 O LEU A 21 0.992 11.677 0.820 1.00 0.92 O ATOM 313 CB LEU A 21 -2.215 10.772 0.038 1.00 0.74 C ATOM 314 CG LEU A 21 -2.399 9.638 -0.972 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.120 9.476 -1.794 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.701 8.330 -0.238 1.00 0.90 C ATOM 0 H LEU A 21 -2.703 10.235 2.323 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.421 9.649 0.582 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.132 10.915 0.610 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.016 11.708 -0.484 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.232 9.879 -1.633 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -1.250 8.668 -2.514 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -0.908 10.404 -2.325 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.288 9.240 -1.130 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -2.831 7.527 -0.964 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.873 8.087 0.428 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.615 8.443 0.346 1.00 0.90 H new ATOM 328 N ALA A 22 -0.704 12.699 1.767 1.00 0.71 N ATOM 329 CA ALA A 22 0.106 13.927 2.004 1.00 0.85 C ATOM 330 C ALA A 22 0.981 13.739 3.244 1.00 0.89 C ATOM 331 O ALA A 22 2.018 14.357 3.387 1.00 1.08 O ATOM 332 CB ALA A 22 -0.915 15.042 2.231 1.00 1.00 C ATOM 0 H ALA A 22 -1.670 12.747 2.091 1.00 0.71 H new ATOM 0 HA ALA A 22 0.771 14.154 1.171 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.393 15.982 2.413 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.546 15.143 1.348 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.534 14.798 3.094 1.00 1.00 H new ATOM 338 N ALA A 23 0.571 12.882 4.138 1.00 0.86 N ATOM 339 CA ALA A 23 1.374 12.643 5.369 1.00 0.93 C ATOM 340 C ALA A 23 2.789 12.189 4.993 1.00 0.85 C ATOM 341 O ALA A 23 3.769 12.752 5.437 1.00 0.95 O ATOM 342 CB ALA A 23 0.629 11.534 6.113 1.00 1.05 C ATOM 0 H ALA A 23 -0.288 12.336 4.068 1.00 0.86 H new ATOM 0 HA ALA A 23 1.482 13.540 5.979 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.157 11.297 7.036 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.381 11.869 6.349 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.579 10.645 5.485 1.00 1.05 H new ATOM 348 N HIS A 24 2.900 11.179 4.173 1.00 0.83 N ATOM 349 CA HIS A 24 4.251 10.696 3.763 1.00 0.84 C ATOM 350 C HIS A 24 4.385 10.750 2.239 1.00 0.82 C ATOM 351 O HIS A 24 3.405 10.754 1.521 1.00 1.30 O ATOM 352 CB HIS A 24 4.330 9.248 4.252 1.00 0.95 C ATOM 353 CG HIS A 24 4.045 9.193 5.728 1.00 1.22 C ATOM 354 ND1 HIS A 24 2.879 8.639 6.236 1.00 1.80 N ATOM 355 CD2 HIS A 24 4.765 9.614 6.819 1.00 1.84 C ATOM 356 CE1 HIS A 24 2.934 8.740 7.577 1.00 2.04 C ATOM 357 NE2 HIS A 24 4.063 9.327 7.984 1.00 2.00 N ATOM 0 H HIS A 24 2.115 10.668 3.769 1.00 0.83 H new ATOM 0 HA HIS A 24 5.050 11.308 4.181 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.612 8.632 3.710 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.319 8.839 4.048 1.00 0.95 H new ATOM 0 HD2 HIS A 24 5.731 10.095 6.778 1.00 1.84 H new ATOM 0 HE1 HIS A 24 2.160 8.389 8.243 1.00 2.04 H new ATOM 0 HE2 HIS A 24 4.349 9.523 8.943 1.00 2.00 H new ATOM 365 N LYS A 25 5.588 10.788 1.735 1.00 0.72 N ATOM 366 CA LYS A 25 5.773 10.838 0.256 1.00 0.69 C ATOM 367 C LYS A 25 5.376 9.498 -0.368 1.00 0.59 C ATOM 368 O LYS A 25 4.293 9.345 -0.897 1.00 0.68 O ATOM 369 CB LYS A 25 7.263 11.107 0.049 1.00 0.81 C ATOM 370 CG LYS A 25 7.505 12.618 -0.001 1.00 1.20 C ATOM 371 CD LYS A 25 8.722 12.968 0.857 1.00 1.51 C ATOM 372 CE LYS A 25 8.258 13.437 2.237 1.00 2.06 C ATOM 373 NZ LYS A 25 9.455 13.294 3.112 1.00 2.47 N ATOM 0 H LYS A 25 6.449 10.787 2.281 1.00 0.72 H new ATOM 0 HA LYS A 25 5.155 11.604 -0.213 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.840 10.662 0.859 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.602 10.642 -0.877 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.668 12.937 -1.030 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.626 13.150 0.362 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.372 12.099 0.957 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.308 13.750 0.374 1.00 1.51 H new ATOM 0 HE2 LYS A 25 7.911 14.470 2.207 1.00 2.06 H new ATOM 0 HE3 LYS A 25 7.428 12.832 2.601 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 9.217 13.597 4.078 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.758 12.299 3.126 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.227 13.886 2.744 1.00 2.47 H new ATOM 387 N TYR A 26 6.242 8.523 -0.307 1.00 0.52 N ATOM 388 CA TYR A 26 5.908 7.195 -0.892 1.00 0.48 C ATOM 389 C TYR A 26 4.889 6.486 0.000 1.00 0.46 C ATOM 390 O TYR A 26 5.055 6.403 1.201 1.00 0.53 O ATOM 391 CB TYR A 26 7.228 6.423 -0.916 1.00 0.56 C ATOM 392 CG TYR A 26 8.260 7.209 -1.689 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.938 7.738 -2.943 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.536 7.410 -1.150 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.893 8.468 -3.661 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.492 8.139 -1.867 1.00 1.31 C ATOM 397 CZ TYR A 26 10.177 8.662 -3.121 1.00 1.08 C ATOM 398 OH TYR A 26 11.112 9.389 -3.830 1.00 1.33 O ATOM 0 H TYR A 26 7.165 8.589 0.122 1.00 0.52 H new ATOM 0 HA TYR A 26 5.472 7.275 -1.888 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.577 6.248 0.102 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.081 5.446 -1.376 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.953 7.583 -3.358 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.783 7.003 -0.181 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.644 8.881 -4.627 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.475 8.297 -1.449 1.00 1.31 H new ATOM 0 HH TYR A 26 11.948 9.433 -3.320 1.00 1.33 H new ATOM 408 N LEU A 27 3.831 5.983 -0.570 1.00 0.46 N ATOM 409 CA LEU A 27 2.807 5.292 0.262 1.00 0.45 C ATOM 410 C LEU A 27 2.155 4.150 -0.517 1.00 0.40 C ATOM 411 O LEU A 27 1.684 4.326 -1.622 1.00 0.50 O ATOM 412 CB LEU A 27 1.778 6.372 0.588 1.00 0.51 C ATOM 413 CG LEU A 27 1.055 6.008 1.884 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.914 6.427 3.079 1.00 0.66 C ATOM 415 CD2 LEU A 27 -0.287 6.736 1.936 1.00 1.93 C ATOM 0 H LEU A 27 3.631 6.020 -1.570 1.00 0.46 H new ATOM 0 HA LEU A 27 3.240 4.847 1.158 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.270 7.339 0.692 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.061 6.465 -0.228 1.00 0.51 H new ATOM 0 HG LEU A 27 0.885 4.932 1.920 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.400 6.168 4.005 1.00 0.66 H new ATOM 0 HD12 LEU A 27 2.872 5.908 3.038 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.083 7.503 3.046 1.00 0.66 H new ATOM 0 HD21 LEU A 27 -0.805 6.478 2.860 1.00 1.93 H new ATOM 0 HD22 LEU A 27 -0.119 7.812 1.903 1.00 1.93 H new ATOM 0 HD23 LEU A 27 -0.896 6.438 1.083 1.00 1.93 H new ATOM 427 N LEU A 28 2.117 2.983 0.061 1.00 0.33 N ATOM 428 CA LEU A 28 1.485 1.826 -0.634 1.00 0.32 C ATOM 429 C LEU A 28 0.081 1.596 -0.075 1.00 0.29 C ATOM 430 O LEU A 28 -0.121 1.578 1.123 1.00 0.35 O ATOM 431 CB LEU A 28 2.396 0.636 -0.326 1.00 0.40 C ATOM 432 CG LEU A 28 2.280 -0.404 -1.442 1.00 0.53 C ATOM 433 CD1 LEU A 28 0.835 -0.898 -1.529 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.686 0.229 -2.773 1.00 0.73 C ATOM 0 H LEU A 28 2.496 2.779 0.986 1.00 0.33 H new ATOM 0 HA LEU A 28 1.380 1.984 -1.707 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.429 0.971 -0.234 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.119 0.191 0.629 1.00 0.40 H new ATOM 0 HG LEU A 28 2.938 -1.245 -1.226 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.751 -1.639 -2.324 1.00 1.12 H new ATOM 0 HD12 LEU A 28 0.547 -1.350 -0.580 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.176 -0.058 -1.745 1.00 1.12 H new ATOM 0 HD21 LEU A 28 2.603 -0.512 -3.568 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.029 1.071 -2.991 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.716 0.580 -2.710 1.00 0.73 H new ATOM 446 N VAL A 29 -0.893 1.431 -0.925 1.00 0.32 N ATOM 447 CA VAL A 29 -2.278 1.217 -0.420 1.00 0.32 C ATOM 448 C VAL A 29 -2.921 -0.004 -1.081 1.00 0.34 C ATOM 449 O VAL A 29 -2.946 -0.131 -2.290 1.00 0.47 O ATOM 450 CB VAL A 29 -3.036 2.488 -0.800 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.462 2.412 -0.252 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.323 3.704 -0.205 1.00 0.77 C ATOM 0 H VAL A 29 -0.792 1.435 -1.940 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.292 1.030 0.654 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.068 2.583 -1.885 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.004 3.318 -0.522 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.969 1.545 -0.676 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.430 2.318 0.833 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.863 4.611 -0.476 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.290 3.611 0.881 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.307 3.757 -0.595 1.00 0.77 H new ATOM 462 N GLU A 30 -3.455 -0.894 -0.291 1.00 0.32 N ATOM 463 CA GLU A 30 -4.115 -2.104 -0.858 1.00 0.39 C ATOM 464 C GLU A 30 -5.632 -1.979 -0.699 1.00 0.36 C ATOM 465 O GLU A 30 -6.119 -1.444 0.277 1.00 0.42 O ATOM 466 CB GLU A 30 -3.582 -3.276 -0.036 1.00 0.52 C ATOM 467 CG GLU A 30 -4.282 -4.564 -0.474 1.00 0.64 C ATOM 468 CD GLU A 30 -3.310 -5.739 -0.354 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.398 -5.647 0.450 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.496 -6.711 -1.068 1.00 1.60 O ATOM 0 H GLU A 30 -3.463 -0.835 0.727 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.908 -2.235 -1.920 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.505 -3.370 -0.173 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.754 -3.098 1.025 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.161 -4.741 0.145 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.630 -4.470 -1.503 1.00 0.64 H new ATOM 477 N PHE A 31 -6.384 -2.451 -1.654 1.00 0.35 N ATOM 478 CA PHE A 31 -7.865 -2.336 -1.557 1.00 0.36 C ATOM 479 C PHE A 31 -8.527 -3.717 -1.563 1.00 0.39 C ATOM 480 O PHE A 31 -8.652 -4.349 -2.593 1.00 0.49 O ATOM 481 CB PHE A 31 -8.260 -1.559 -2.808 1.00 0.41 C ATOM 482 CG PHE A 31 -8.016 -0.087 -2.588 1.00 0.38 C ATOM 483 CD1 PHE A 31 -9.015 0.716 -2.024 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.785 0.476 -2.947 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.782 2.082 -1.820 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.554 1.840 -2.745 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.552 2.644 -2.180 1.00 0.53 C ATOM 0 H PHE A 31 -6.037 -2.911 -2.496 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.180 -1.849 -0.634 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.683 -1.910 -3.663 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.311 -1.733 -3.040 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.964 0.282 -1.747 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.014 -0.144 -3.380 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.552 2.702 -1.385 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.605 2.274 -3.025 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.372 3.697 -2.022 1.00 0.53 H new ATOM 497 N TYR A 32 -8.968 -4.186 -0.426 1.00 0.37 N ATOM 498 CA TYR A 32 -9.637 -5.520 -0.390 1.00 0.44 C ATOM 499 C TYR A 32 -10.514 -5.650 0.859 1.00 0.40 C ATOM 500 O TYR A 32 -10.898 -4.674 1.469 1.00 0.45 O ATOM 501 CB TYR A 32 -8.501 -6.554 -0.382 1.00 0.54 C ATOM 502 CG TYR A 32 -7.797 -6.569 0.958 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.106 -5.432 1.393 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.837 -7.713 1.761 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.454 -5.439 2.632 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.185 -7.720 2.999 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.497 -6.608 3.436 1.00 0.77 C ATOM 508 OH TYR A 32 -5.853 -6.593 4.657 1.00 0.94 O ATOM 0 H TYR A 32 -8.895 -3.708 0.472 1.00 0.37 H new ATOM 0 HA TYR A 32 -10.297 -5.666 -1.245 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.903 -7.544 -0.598 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.786 -6.321 -1.171 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -7.076 -4.549 0.772 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.371 -8.590 1.426 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.923 -4.563 2.973 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.221 -8.604 3.618 1.00 0.79 H new ATOM 0 HH TYR A 32 -5.968 -7.461 5.098 1.00 0.94 H new ATOM 518 N ALA A 33 -10.830 -6.855 1.238 1.00 0.40 N ATOM 519 CA ALA A 33 -11.680 -7.059 2.446 1.00 0.44 C ATOM 520 C ALA A 33 -11.078 -8.151 3.339 1.00 0.53 C ATOM 521 O ALA A 33 -10.241 -8.915 2.900 1.00 0.56 O ATOM 522 CB ALA A 33 -13.039 -7.503 1.901 1.00 0.49 C ATOM 0 H ALA A 33 -10.537 -7.709 0.764 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.757 -6.158 3.054 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.725 -7.675 2.730 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.442 -6.726 1.251 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.919 -8.425 1.332 1.00 0.49 H new ATOM 528 N PRO A 34 -11.527 -8.194 4.570 1.00 0.63 N ATOM 529 CA PRO A 34 -11.022 -9.213 5.525 1.00 0.78 C ATOM 530 C PRO A 34 -11.506 -10.612 5.123 1.00 0.82 C ATOM 531 O PRO A 34 -10.981 -11.611 5.572 1.00 0.96 O ATOM 532 CB PRO A 34 -11.628 -8.787 6.860 1.00 0.90 C ATOM 533 CG PRO A 34 -12.845 -8.000 6.490 1.00 0.81 C ATOM 534 CD PRO A 34 -12.539 -7.320 5.184 1.00 0.66 C ATOM 0 HA PRO A 34 -9.934 -9.268 5.557 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -11.886 -9.651 7.472 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -10.928 -8.185 7.439 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -13.713 -8.652 6.393 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.082 -7.267 7.262 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.428 -7.234 4.559 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.158 -6.310 5.337 1.00 0.66 H new ATOM 542 N TRP A 35 -12.503 -10.693 4.282 1.00 0.74 N ATOM 543 CA TRP A 35 -13.012 -12.029 3.856 1.00 0.83 C ATOM 544 C TRP A 35 -12.592 -12.336 2.411 1.00 0.78 C ATOM 545 O TRP A 35 -12.923 -13.372 1.871 1.00 0.92 O ATOM 546 CB TRP A 35 -14.535 -11.925 3.963 1.00 0.91 C ATOM 547 CG TRP A 35 -15.035 -10.872 3.025 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.267 -9.580 3.359 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.368 -10.995 1.612 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.720 -8.905 2.240 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.800 -9.734 1.139 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.338 -12.068 0.703 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.187 -9.543 -0.188 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.728 -11.880 -0.633 1.00 2.36 C ATOM 555 CH2 TRP A 35 -16.152 -10.620 -1.077 1.00 2.26 C ATOM 0 H TRP A 35 -12.986 -9.893 3.872 1.00 0.74 H new ATOM 0 HA TRP A 35 -12.611 -12.833 4.473 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -14.992 -12.885 3.725 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -14.822 -11.681 4.986 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.122 -9.148 4.338 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.965 -7.915 2.230 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.013 -13.043 1.035 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.511 -8.570 -0.525 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.701 -12.711 -1.322 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -16.451 -10.482 -2.105 1.00 2.26 H new ATOM 566 N CYS A 36 -11.868 -11.447 1.778 1.00 0.65 N ATOM 567 CA CYS A 36 -11.440 -11.702 0.372 1.00 0.67 C ATOM 568 C CYS A 36 -10.749 -13.065 0.263 1.00 0.84 C ATOM 569 O CYS A 36 -10.019 -13.475 1.145 1.00 1.63 O ATOM 570 CB CYS A 36 -10.460 -10.573 0.050 1.00 0.58 C ATOM 571 SG CYS A 36 -9.808 -10.794 -1.624 1.00 1.07 S ATOM 0 H CYS A 36 -11.557 -10.560 2.174 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.282 -11.722 -0.320 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.961 -9.608 0.132 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.643 -10.570 0.772 1.00 0.58 H new ATOM 576 N GLY A 37 -10.974 -13.769 -0.813 1.00 0.96 N ATOM 577 CA GLY A 37 -10.333 -15.104 -0.981 1.00 1.08 C ATOM 578 C GLY A 37 -8.913 -14.924 -1.524 1.00 1.00 C ATOM 579 O GLY A 37 -8.654 -14.056 -2.335 1.00 1.83 O ATOM 0 H GLY A 37 -11.575 -13.477 -1.584 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.305 -15.628 -0.026 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.920 -15.718 -1.664 1.00 1.08 H new ATOM 583 N HIS A 38 -7.990 -15.738 -1.082 1.00 0.89 N ATOM 584 CA HIS A 38 -6.579 -15.620 -1.567 1.00 0.97 C ATOM 585 C HIS A 38 -6.022 -14.222 -1.281 1.00 0.88 C ATOM 586 O HIS A 38 -5.024 -13.817 -1.845 1.00 1.13 O ATOM 587 CB HIS A 38 -6.650 -15.864 -3.074 1.00 1.32 C ATOM 588 CG HIS A 38 -5.392 -16.550 -3.532 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.924 -16.444 -4.834 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.494 -17.356 -2.876 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.793 -17.166 -4.918 1.00 2.85 C ATOM 592 NE2 HIS A 38 -3.485 -17.743 -3.752 1.00 2.87 N ATOM 0 H HIS A 38 -8.152 -16.482 -0.404 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.920 -16.330 -1.067 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.519 -16.477 -3.313 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.773 -14.918 -3.601 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.561 -17.645 -1.838 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.205 -17.268 -5.818 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -2.683 -18.339 -3.548 1.00 2.87 H new ATOM 600 N CYS A 39 -6.647 -13.486 -0.407 1.00 0.79 N ATOM 601 CA CYS A 39 -6.141 -12.122 -0.084 1.00 0.88 C ATOM 602 C CYS A 39 -5.294 -12.155 1.196 1.00 0.82 C ATOM 603 O CYS A 39 -4.750 -11.152 1.613 1.00 1.00 O ATOM 604 CB CYS A 39 -7.397 -11.275 0.125 1.00 1.08 C ATOM 605 SG CYS A 39 -7.833 -10.452 -1.427 1.00 1.00 S ATOM 0 H CYS A 39 -7.487 -13.769 0.098 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.504 -11.721 -0.872 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -8.222 -11.904 0.460 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -7.224 -10.534 0.906 1.00 1.08 H new ATOM 610 N LYS A 40 -5.174 -13.298 1.822 1.00 0.78 N ATOM 611 CA LYS A 40 -4.360 -13.384 3.068 1.00 0.94 C ATOM 612 C LYS A 40 -2.991 -13.998 2.761 1.00 0.84 C ATOM 613 O LYS A 40 -2.045 -13.832 3.506 1.00 0.94 O ATOM 614 CB LYS A 40 -5.158 -14.295 4.003 1.00 1.21 C ATOM 615 CG LYS A 40 -5.381 -15.652 3.332 1.00 1.56 C ATOM 616 CD LYS A 40 -6.857 -15.797 2.954 1.00 2.11 C ATOM 617 CE LYS A 40 -7.587 -16.593 4.039 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.899 -16.954 3.432 1.00 3.29 N ATOM 0 H LYS A 40 -5.604 -14.173 1.523 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.179 -12.405 3.511 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.622 -14.427 4.943 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.117 -13.835 4.244 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -4.757 -15.737 2.443 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.086 -16.456 4.006 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.313 -14.813 2.841 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.949 -16.303 1.993 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -7.025 -17.483 4.322 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -7.720 -15.999 4.943 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -9.459 -17.502 4.116 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -9.415 -16.087 3.179 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.741 -17.525 2.577 1.00 3.29 H new ATOM 632 N ALA A 41 -2.876 -14.707 1.668 1.00 0.77 N ATOM 633 CA ALA A 41 -1.567 -15.329 1.317 1.00 0.86 C ATOM 634 C ALA A 41 -0.479 -14.255 1.222 1.00 0.75 C ATOM 635 O ALA A 41 0.665 -14.485 1.558 1.00 0.90 O ATOM 636 CB ALA A 41 -1.794 -15.984 -0.046 1.00 0.93 C ATOM 0 H ALA A 41 -3.631 -14.881 1.005 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.237 -16.049 2.066 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.874 -16.466 -0.376 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.585 -16.730 0.036 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.086 -15.224 -0.771 1.00 0.93 H new ATOM 642 N LEU A 42 -0.829 -13.082 0.767 1.00 0.65 N ATOM 643 CA LEU A 42 0.182 -11.991 0.651 1.00 0.67 C ATOM 644 C LEU A 42 0.153 -11.097 1.897 1.00 0.63 C ATOM 645 O LEU A 42 1.052 -10.314 2.130 1.00 0.70 O ATOM 646 CB LEU A 42 -0.234 -11.199 -0.588 1.00 0.82 C ATOM 647 CG LEU A 42 0.734 -10.032 -0.799 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.321 -10.103 -2.210 1.00 1.24 C ATOM 649 CD2 LEU A 42 -0.018 -8.711 -0.625 1.00 1.37 C ATOM 0 H LEU A 42 -1.772 -12.832 0.470 1.00 0.65 H new ATOM 0 HA LEU A 42 1.197 -12.379 0.568 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.234 -11.848 -1.464 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.251 -10.825 -0.469 1.00 0.82 H new ATOM 0 HG LEU A 42 1.540 -10.092 -0.068 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.010 -9.272 -2.360 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.856 -11.045 -2.335 1.00 1.24 H new ATOM 0 HD13 LEU A 42 0.516 -10.043 -2.942 1.00 1.24 H new ATOM 0 HD21 LEU A 42 0.669 -7.879 -0.775 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.824 -8.652 -1.356 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.436 -8.660 0.380 1.00 1.37 H new ATOM 661 N ALA A 43 -0.873 -11.205 2.701 1.00 0.71 N ATOM 662 CA ALA A 43 -0.962 -10.361 3.931 1.00 0.73 C ATOM 663 C ALA A 43 0.360 -10.389 4.715 1.00 0.67 C ATOM 664 O ALA A 43 0.918 -9.352 5.010 1.00 0.65 O ATOM 665 CB ALA A 43 -2.086 -10.987 4.757 1.00 0.88 C ATOM 0 H ALA A 43 -1.656 -11.843 2.559 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.156 -9.315 3.692 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.216 -10.424 5.681 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.014 -10.965 4.185 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.831 -12.020 4.995 1.00 0.88 H new ATOM 671 N PRO A 44 0.821 -11.576 5.037 1.00 0.69 N ATOM 672 CA PRO A 44 2.086 -11.707 5.802 1.00 0.70 C ATOM 673 C PRO A 44 3.302 -11.383 4.924 1.00 0.59 C ATOM 674 O PRO A 44 4.422 -11.358 5.394 1.00 0.65 O ATOM 675 CB PRO A 44 2.096 -13.167 6.238 1.00 0.83 C ATOM 676 CG PRO A 44 1.237 -13.878 5.240 1.00 0.84 C ATOM 677 CD PRO A 44 0.221 -12.886 4.737 1.00 0.76 C ATOM 0 HA PRO A 44 2.142 -11.016 6.643 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.109 -13.570 6.244 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.702 -13.279 7.248 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.840 -14.261 4.417 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.743 -14.735 5.699 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.041 -13.007 3.669 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.739 -13.009 5.238 1.00 0.76 H new ATOM 685 N GLU A 45 3.097 -11.118 3.662 1.00 0.53 N ATOM 686 CA GLU A 45 4.248 -10.779 2.779 1.00 0.46 C ATOM 687 C GLU A 45 4.327 -9.263 2.632 1.00 0.41 C ATOM 688 O GLU A 45 5.392 -8.683 2.542 1.00 0.47 O ATOM 689 CB GLU A 45 3.931 -11.439 1.437 1.00 0.48 C ATOM 690 CG GLU A 45 3.707 -12.938 1.647 1.00 0.61 C ATOM 691 CD GLU A 45 2.273 -13.299 1.254 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.047 -13.555 0.083 1.00 1.83 O ATOM 693 OE2 GLU A 45 1.425 -13.310 2.131 1.00 1.90 O ATOM 0 H GLU A 45 2.185 -11.122 3.206 1.00 0.53 H new ATOM 0 HA GLU A 45 5.204 -11.124 3.172 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.043 -10.986 0.997 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.751 -11.277 0.737 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.415 -13.510 1.047 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.887 -13.201 2.689 1.00 0.61 H new ATOM 700 N TYR A 46 3.196 -8.620 2.630 1.00 0.43 N ATOM 701 CA TYR A 46 3.171 -7.138 2.515 1.00 0.48 C ATOM 702 C TYR A 46 3.479 -6.518 3.892 1.00 0.52 C ATOM 703 O TYR A 46 3.789 -5.348 3.998 1.00 0.69 O ATOM 704 CB TYR A 46 1.737 -6.834 2.019 1.00 0.64 C ATOM 705 CG TYR A 46 1.216 -5.517 2.558 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.440 -4.339 1.839 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.517 -5.477 3.771 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.967 -3.120 2.330 1.00 1.38 C ATOM 709 CE2 TYR A 46 0.043 -4.256 4.262 1.00 1.39 C ATOM 710 CZ TYR A 46 0.241 -3.098 3.565 1.00 1.50 C ATOM 711 OH TYR A 46 -0.202 -1.875 4.021 1.00 1.95 O ATOM 0 H TYR A 46 2.279 -9.062 2.704 1.00 0.43 H new ATOM 0 HA TYR A 46 3.914 -6.721 1.835 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.728 -6.808 0.929 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.070 -7.640 2.324 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.979 -4.372 0.904 1.00 1.02 H new ATOM 0 HD2 TYR A 46 0.344 -6.387 4.326 1.00 1.03 H new ATOM 0 HE1 TYR A 46 1.146 -2.205 1.785 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -0.486 -4.228 5.203 1.00 1.39 H new ATOM 0 HH TYR A 46 -1.001 -2.002 4.574 1.00 1.95 H new ATOM 721 N ALA A 47 3.401 -7.294 4.946 1.00 0.53 N ATOM 722 CA ALA A 47 3.694 -6.739 6.299 1.00 0.62 C ATOM 723 C ALA A 47 5.187 -6.866 6.615 1.00 0.58 C ATOM 724 O ALA A 47 5.725 -6.125 7.414 1.00 0.68 O ATOM 725 CB ALA A 47 2.867 -7.588 7.265 1.00 0.73 C ATOM 0 H ALA A 47 3.148 -8.282 4.926 1.00 0.53 H new ATOM 0 HA ALA A 47 3.445 -5.680 6.371 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.029 -7.240 8.285 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.810 -7.498 7.015 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.172 -8.631 7.185 1.00 0.73 H new ATOM 731 N LYS A 48 5.863 -7.796 5.995 1.00 0.51 N ATOM 732 CA LYS A 48 7.319 -7.960 6.266 1.00 0.55 C ATOM 733 C LYS A 48 8.112 -6.886 5.519 1.00 0.53 C ATOM 734 O LYS A 48 9.189 -6.497 5.928 1.00 0.65 O ATOM 735 CB LYS A 48 7.667 -9.350 5.734 1.00 0.60 C ATOM 736 CG LYS A 48 7.016 -10.419 6.616 1.00 1.03 C ATOM 737 CD LYS A 48 7.486 -10.249 8.063 1.00 1.41 C ATOM 738 CE LYS A 48 7.537 -11.616 8.749 1.00 1.92 C ATOM 739 NZ LYS A 48 7.738 -11.313 10.194 1.00 2.47 N ATOM 0 H LYS A 48 5.471 -8.447 5.315 1.00 0.51 H new ATOM 0 HA LYS A 48 7.559 -7.859 7.324 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.321 -9.453 4.706 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.749 -9.485 5.721 1.00 0.60 H new ATOM 0 HG2 LYS A 48 5.930 -10.336 6.564 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.277 -11.413 6.253 1.00 1.03 H new ATOM 0 HD2 LYS A 48 8.471 -9.783 8.084 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.808 -9.586 8.601 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.615 -12.174 8.587 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.351 -12.225 8.356 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.783 -12.202 10.732 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.627 -10.787 10.318 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 6.944 -10.738 10.542 1.00 2.47 H new ATOM 753 N ALA A 49 7.587 -6.405 4.428 1.00 0.47 N ATOM 754 CA ALA A 49 8.307 -5.357 3.652 1.00 0.50 C ATOM 755 C ALA A 49 8.238 -4.013 4.384 1.00 0.53 C ATOM 756 O ALA A 49 9.033 -3.126 4.147 1.00 0.65 O ATOM 757 CB ALA A 49 7.570 -5.280 2.316 1.00 0.55 C ATOM 0 H ALA A 49 6.689 -6.692 4.039 1.00 0.47 H new ATOM 0 HA ALA A 49 9.364 -5.591 3.522 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.041 -4.527 1.684 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.614 -6.250 1.820 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.529 -5.008 2.490 1.00 0.55 H new ATOM 763 N ALA A 50 7.294 -3.857 5.272 1.00 0.54 N ATOM 764 CA ALA A 50 7.175 -2.570 6.016 1.00 0.65 C ATOM 765 C ALA A 50 8.193 -2.523 7.159 1.00 0.65 C ATOM 766 O ALA A 50 8.655 -1.470 7.549 1.00 0.77 O ATOM 767 CB ALA A 50 5.749 -2.563 6.568 1.00 0.76 C ATOM 0 H ALA A 50 6.600 -4.564 5.515 1.00 0.54 H new ATOM 0 HA ALA A 50 7.371 -1.706 5.381 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.581 -1.645 7.131 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.039 -2.618 5.743 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.609 -3.422 7.225 1.00 0.76 H new ATOM 773 N GLY A 51 8.547 -3.658 7.699 1.00 0.59 N ATOM 774 CA GLY A 51 9.535 -3.678 8.815 1.00 0.69 C ATOM 775 C GLY A 51 10.963 -3.667 8.256 1.00 0.78 C ATOM 776 O GLY A 51 11.918 -3.478 8.983 1.00 0.90 O ATOM 0 H GLY A 51 8.194 -4.572 7.415 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.383 -2.814 9.461 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.384 -4.566 9.429 1.00 0.69 H new ATOM 780 N LYS A 52 11.124 -3.869 6.974 1.00 0.80 N ATOM 781 CA LYS A 52 12.495 -3.869 6.388 1.00 1.01 C ATOM 782 C LYS A 52 13.064 -2.449 6.369 1.00 1.12 C ATOM 783 O LYS A 52 14.259 -2.247 6.468 1.00 1.31 O ATOM 784 CB LYS A 52 12.314 -4.390 4.962 1.00 1.15 C ATOM 785 CG LYS A 52 11.963 -5.879 5.002 1.00 1.49 C ATOM 786 CD LYS A 52 13.241 -6.707 4.846 1.00 1.97 C ATOM 787 CE LYS A 52 12.927 -7.993 4.077 1.00 2.64 C ATOM 788 NZ LYS A 52 12.321 -8.907 5.086 1.00 3.08 N ATOM 0 H LYS A 52 10.367 -4.033 6.310 1.00 0.80 H new ATOM 0 HA LYS A 52 13.189 -4.481 6.963 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.524 -3.833 4.458 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.228 -4.237 4.389 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.471 -6.123 5.944 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.261 -6.120 4.204 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.998 -6.130 4.316 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.652 -6.948 5.826 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.239 -7.802 3.253 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.830 -8.425 3.645 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 12.078 -9.811 4.634 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 13.001 -9.076 5.854 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 11.460 -8.473 5.475 1.00 3.08 H new ATOM 802 N LEU A 53 12.219 -1.463 6.240 1.00 1.12 N ATOM 803 CA LEU A 53 12.715 -0.057 6.211 1.00 1.33 C ATOM 804 C LEU A 53 13.051 0.420 7.628 1.00 1.30 C ATOM 805 O LEU A 53 13.886 1.278 7.821 1.00 1.50 O ATOM 806 CB LEU A 53 11.562 0.760 5.622 1.00 1.55 C ATOM 807 CG LEU A 53 10.358 0.709 6.564 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.401 1.908 7.513 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.066 0.755 5.745 1.00 1.82 C ATOM 0 H LEU A 53 11.208 -1.569 6.154 1.00 1.12 H new ATOM 0 HA LEU A 53 13.627 0.046 5.622 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.875 1.793 5.473 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.287 0.366 4.644 1.00 1.55 H new ATOM 0 HG LEU A 53 10.390 -0.214 7.142 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.543 1.872 8.184 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.321 1.877 8.097 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.370 2.831 6.934 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.208 0.719 6.416 1.00 1.82 H new ATOM 0 HD22 LEU A 53 9.035 1.678 5.166 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.034 -0.099 5.068 1.00 1.82 H new ATOM 821 N LYS A 54 12.406 -0.129 8.620 1.00 1.20 N ATOM 822 CA LYS A 54 12.692 0.298 10.020 1.00 1.35 C ATOM 823 C LYS A 54 14.167 0.063 10.354 1.00 1.40 C ATOM 824 O LYS A 54 14.777 0.821 11.083 1.00 1.67 O ATOM 825 CB LYS A 54 11.798 -0.583 10.893 1.00 1.46 C ATOM 826 CG LYS A 54 11.691 0.026 12.291 1.00 1.91 C ATOM 827 CD LYS A 54 10.385 -0.426 12.945 1.00 2.50 C ATOM 828 CE LYS A 54 10.445 -1.930 13.219 1.00 2.87 C ATOM 829 NZ LYS A 54 10.235 -2.062 14.688 1.00 3.88 N ATOM 0 H LYS A 54 11.695 -0.853 8.523 1.00 1.20 H new ATOM 0 HA LYS A 54 12.497 1.359 10.176 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.808 -0.670 10.446 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.210 -1.590 10.954 1.00 1.46 H new ATOM 0 HG2 LYS A 54 12.541 -0.283 12.900 1.00 1.91 H new ATOM 0 HG3 LYS A 54 11.722 1.114 12.229 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.225 0.118 13.876 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.542 -0.198 12.293 1.00 2.50 H new ATOM 0 HE2 LYS A 54 9.676 -2.464 12.661 1.00 2.87 H new ATOM 0 HE3 LYS A 54 11.406 -2.348 12.918 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.855 -2.809 15.062 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 10.461 -1.160 15.153 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 9.242 -2.309 14.876 1.00 3.88 H new ATOM 843 N ALA A 55 14.745 -0.981 9.827 1.00 1.63 N ATOM 844 CA ALA A 55 16.181 -1.263 10.115 1.00 2.20 C ATOM 845 C ALA A 55 17.084 -0.301 9.332 1.00 2.03 C ATOM 846 O ALA A 55 18.256 -0.166 9.621 1.00 2.38 O ATOM 847 CB ALA A 55 16.400 -2.703 9.648 1.00 2.78 C ATOM 0 H ALA A 55 14.286 -1.651 9.210 1.00 1.63 H new ATOM 0 HA ALA A 55 16.423 -1.132 11.170 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.437 -2.989 9.826 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.739 -3.370 10.202 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.180 -2.777 8.583 1.00 2.78 H new ATOM 853 N GLU A 56 16.550 0.367 8.343 1.00 1.67 N ATOM 854 CA GLU A 56 17.384 1.315 7.547 1.00 1.70 C ATOM 855 C GLU A 56 16.961 2.759 7.824 1.00 1.53 C ATOM 856 O GLU A 56 17.776 3.612 8.115 1.00 1.98 O ATOM 857 CB GLU A 56 17.113 0.950 6.087 1.00 1.99 C ATOM 858 CG GLU A 56 18.192 -0.016 5.594 1.00 2.69 C ATOM 859 CD GLU A 56 19.525 0.724 5.485 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.540 1.796 4.903 1.00 3.64 O ATOM 861 OE2 GLU A 56 20.510 0.206 5.983 1.00 3.63 O ATOM 0 H GLU A 56 15.575 0.297 8.053 1.00 1.67 H new ATOM 0 HA GLU A 56 18.442 1.242 7.798 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.129 0.492 5.992 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.106 1.849 5.471 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.285 -0.856 6.282 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.912 -0.428 4.624 1.00 2.69 H new ATOM 868 N GLY A 57 15.693 3.035 7.731 1.00 1.58 N ATOM 869 CA GLY A 57 15.208 4.420 7.984 1.00 2.25 C ATOM 870 C GLY A 57 14.707 5.032 6.674 1.00 1.97 C ATOM 871 O GLY A 57 14.724 6.232 6.491 1.00 2.50 O ATOM 0 H GLY A 57 14.968 2.360 7.490 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.406 4.407 8.722 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.012 5.028 8.398 1.00 2.25 H new ATOM 875 N SER A 58 14.260 4.214 5.761 1.00 1.30 N ATOM 876 CA SER A 58 13.758 4.747 4.462 1.00 1.23 C ATOM 877 C SER A 58 12.500 5.592 4.684 1.00 1.03 C ATOM 878 O SER A 58 11.873 5.529 5.724 1.00 1.27 O ATOM 879 CB SER A 58 13.428 3.509 3.629 1.00 1.53 C ATOM 880 OG SER A 58 13.328 3.873 2.260 1.00 2.13 O ATOM 0 H SER A 58 14.221 3.199 5.858 1.00 1.30 H new ATOM 0 HA SER A 58 14.489 5.389 3.971 1.00 1.23 H new ATOM 0 HB2 SER A 58 14.202 2.753 3.760 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.491 3.068 3.969 1.00 1.53 H new ATOM 0 HG SER A 58 13.118 3.079 1.725 1.00 2.13 H new ATOM 886 N GLU A 59 12.129 6.384 3.716 1.00 0.85 N ATOM 887 CA GLU A 59 10.917 7.235 3.867 1.00 0.87 C ATOM 888 C GLU A 59 9.733 6.612 3.120 1.00 0.76 C ATOM 889 O GLU A 59 8.915 7.303 2.545 1.00 1.06 O ATOM 890 CB GLU A 59 11.304 8.573 3.240 1.00 1.10 C ATOM 891 CG GLU A 59 11.703 8.362 1.778 1.00 1.05 C ATOM 892 CD GLU A 59 11.405 9.633 0.979 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.275 9.785 0.546 1.00 2.13 O ATOM 894 OE2 GLU A 59 12.312 10.433 0.817 1.00 2.22 O ATOM 0 H GLU A 59 12.615 6.478 2.824 1.00 0.85 H new ATOM 0 HA GLU A 59 10.610 7.341 4.907 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.468 9.270 3.302 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.132 9.018 3.792 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.763 8.118 1.711 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.154 7.519 1.358 1.00 1.05 H new ATOM 901 N ILE A 60 9.636 5.311 3.127 1.00 0.59 N ATOM 902 CA ILE A 60 8.505 4.641 2.421 1.00 0.57 C ATOM 903 C ILE A 60 7.513 4.074 3.441 1.00 0.52 C ATOM 904 O ILE A 60 7.886 3.689 4.532 1.00 0.63 O ATOM 905 CB ILE A 60 9.155 3.517 1.611 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.974 2.620 2.544 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.075 4.119 0.548 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.337 1.327 1.820 1.00 1.60 C ATOM 0 H ILE A 60 10.291 4.682 3.591 1.00 0.59 H new ATOM 0 HA ILE A 60 7.946 5.326 1.784 1.00 0.57 H new ATOM 0 HB ILE A 60 8.378 2.925 1.127 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.879 3.138 2.861 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.402 2.396 3.445 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.538 3.318 -0.029 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.493 4.756 -0.118 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.851 4.712 1.032 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.920 0.689 2.485 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.426 0.807 1.525 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.925 1.560 0.932 1.00 1.60 H new ATOM 920 N ARG A 61 6.252 4.026 3.103 1.00 0.45 N ATOM 921 CA ARG A 61 5.246 3.492 4.069 1.00 0.45 C ATOM 922 C ARG A 61 4.251 2.563 3.364 1.00 0.41 C ATOM 923 O ARG A 61 3.970 2.709 2.190 1.00 0.55 O ATOM 924 CB ARG A 61 4.530 4.727 4.614 1.00 0.51 C ATOM 925 CG ARG A 61 5.252 5.226 5.866 1.00 0.75 C ATOM 926 CD ARG A 61 4.303 5.155 7.065 1.00 0.97 C ATOM 927 NE ARG A 61 4.923 6.032 8.097 1.00 1.30 N ATOM 928 CZ ARG A 61 5.946 5.605 8.786 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.767 4.749 9.754 1.00 2.19 N ATOM 930 NH2 ARG A 61 7.146 6.034 8.506 1.00 2.21 N ATOM 0 H ARG A 61 5.876 4.331 2.205 1.00 0.45 H new ATOM 0 HA ARG A 61 5.713 2.903 4.858 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.508 5.511 3.857 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.494 4.484 4.851 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.138 4.620 6.054 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.592 6.251 5.718 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.304 5.502 6.800 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.199 4.132 7.427 1.00 0.97 H new ATOM 0 HE ARG A 61 4.548 6.966 8.265 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.828 4.414 9.972 1.00 2.19 H new ATOM 0 HH12 ARG A 61 6.566 4.415 10.293 1.00 2.19 H new ATOM 0 HH21 ARG A 61 7.285 6.703 7.749 1.00 2.21 H new ATOM 0 HH22 ARG A 61 7.945 5.700 9.044 1.00 2.21 H new ATOM 944 N LEU A 62 3.709 1.615 4.082 1.00 0.35 N ATOM 945 CA LEU A 62 2.722 0.676 3.472 1.00 0.36 C ATOM 946 C LEU A 62 1.355 0.861 4.136 1.00 0.32 C ATOM 947 O LEU A 62 1.263 1.223 5.291 1.00 0.38 O ATOM 948 CB LEU A 62 3.272 -0.721 3.764 1.00 0.48 C ATOM 949 CG LEU A 62 4.400 -1.045 2.783 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.677 -0.323 3.218 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.647 -2.556 2.772 1.00 1.22 C ATOM 0 H LEU A 62 3.908 1.450 5.069 1.00 0.35 H new ATOM 0 HA LEU A 62 2.590 0.845 2.403 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.642 -0.770 4.788 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.477 -1.461 3.677 1.00 0.48 H new ATOM 0 HG LEU A 62 4.119 -0.715 1.783 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.481 -0.553 2.519 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.502 0.753 3.227 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.959 -0.653 4.218 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.451 -2.788 2.073 1.00 1.22 H new ATOM 0 HD22 LEU A 62 4.929 -2.886 3.772 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.737 -3.071 2.463 1.00 1.22 H new ATOM 963 N ALA A 63 0.288 0.620 3.420 1.00 0.30 N ATOM 964 CA ALA A 63 -1.063 0.796 4.037 1.00 0.32 C ATOM 965 C ALA A 63 -2.087 -0.133 3.373 1.00 0.31 C ATOM 966 O ALA A 63 -1.850 -0.680 2.314 1.00 0.37 O ATOM 967 CB ALA A 63 -1.422 2.260 3.785 1.00 0.37 C ATOM 0 H ALA A 63 0.290 0.313 2.447 1.00 0.30 H new ATOM 0 HA ALA A 63 -1.064 0.549 5.099 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.404 2.472 4.209 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.678 2.903 4.254 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.441 2.450 2.712 1.00 0.37 H new ATOM 973 N LYS A 64 -3.225 -0.317 3.991 1.00 0.30 N ATOM 974 CA LYS A 64 -4.263 -1.214 3.399 1.00 0.32 C ATOM 975 C LYS A 64 -5.654 -0.588 3.542 1.00 0.32 C ATOM 976 O LYS A 64 -5.864 0.297 4.345 1.00 0.40 O ATOM 977 CB LYS A 64 -4.173 -2.507 4.209 1.00 0.38 C ATOM 978 CG LYS A 64 -4.359 -2.195 5.694 1.00 1.39 C ATOM 979 CD LYS A 64 -4.514 -3.502 6.474 1.00 1.60 C ATOM 980 CE LYS A 64 -3.160 -3.915 7.050 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.943 -3.002 8.208 1.00 2.26 N ATOM 0 H LYS A 64 -3.481 0.115 4.879 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.102 -1.384 2.334 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.936 -3.210 3.876 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.207 -2.984 4.045 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.503 -1.635 6.069 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.238 -1.567 5.837 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.239 -3.375 7.277 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.897 -4.285 5.820 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.166 -4.958 7.365 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.367 -3.810 6.310 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.017 -3.200 8.637 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.970 -2.015 7.882 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.691 -3.153 8.914 1.00 2.26 H new ATOM 995 N VAL A 65 -6.610 -1.041 2.771 1.00 0.30 N ATOM 996 CA VAL A 65 -7.982 -0.463 2.877 1.00 0.32 C ATOM 997 C VAL A 65 -9.029 -1.577 2.903 1.00 0.31 C ATOM 998 O VAL A 65 -8.778 -2.693 2.490 1.00 0.36 O ATOM 999 CB VAL A 65 -8.158 0.395 1.622 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.580 0.967 1.587 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.148 1.544 1.644 1.00 0.70 C ATOM 0 H VAL A 65 -6.500 -1.781 2.078 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.107 0.118 3.791 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.992 -0.219 0.737 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.705 1.578 0.693 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.301 0.149 1.571 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.747 1.581 2.472 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.273 2.155 0.750 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.314 2.157 2.530 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.136 1.139 1.668 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.205 -1.276 3.377 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.278 -2.306 3.424 1.00 0.39 C ATOM 1013 C ASP A 66 -12.352 -1.979 2.384 1.00 0.40 C ATOM 1014 O ASP A 66 -13.247 -1.196 2.628 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.855 -2.217 4.837 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.076 -3.150 5.764 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.909 -2.880 6.001 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.659 -4.119 6.223 1.00 1.30 O ATOM 0 H ASP A 66 -10.470 -0.358 3.735 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.906 -3.307 3.203 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.796 -1.192 5.202 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.910 -2.492 4.829 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.267 -2.572 1.223 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.281 -2.296 0.161 1.00 0.46 C ATOM 1025 C ALA A 67 -14.698 -2.406 0.731 1.00 0.51 C ATOM 1026 O ALA A 67 -15.626 -1.798 0.237 1.00 0.57 O ATOM 1027 CB ALA A 67 -13.041 -3.371 -0.899 1.00 0.51 C ATOM 0 H ALA A 67 -11.538 -3.237 0.963 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.187 -1.290 -0.247 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.748 -3.239 -1.718 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -12.024 -3.285 -1.281 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.180 -4.357 -0.455 1.00 0.51 H new ATOM 1033 N THR A 68 -14.867 -3.174 1.772 1.00 0.53 N ATOM 1034 CA THR A 68 -16.220 -3.318 2.378 1.00 0.62 C ATOM 1035 C THR A 68 -16.404 -2.301 3.510 1.00 0.64 C ATOM 1036 O THR A 68 -17.250 -2.459 4.367 1.00 0.86 O ATOM 1037 CB THR A 68 -16.258 -4.745 2.927 1.00 0.66 C ATOM 1038 OG1 THR A 68 -17.515 -4.979 3.546 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.137 -4.935 3.952 1.00 1.35 C ATOM 0 H THR A 68 -14.127 -3.707 2.229 1.00 0.53 H new ATOM 0 HA THR A 68 -17.017 -3.137 1.657 1.00 0.62 H new ATOM 0 HB THR A 68 -16.118 -5.451 2.109 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.817 -4.161 3.994 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.168 -5.953 4.340 1.00 1.35 H new ATOM 0 HG22 THR A 68 -14.173 -4.758 3.474 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.270 -4.230 4.772 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.617 -1.259 3.520 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.748 -0.237 4.597 1.00 0.61 C ATOM 1049 C GLU A 69 -15.568 1.165 4.013 1.00 0.57 C ATOM 1050 O GLU A 69 -16.362 2.054 4.254 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.624 -0.555 5.583 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.789 0.304 6.839 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.734 -0.098 7.873 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.598 -1.285 8.121 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -13.081 0.789 8.399 1.00 2.22 O ATOM 0 H GLU A 69 -14.890 -1.072 2.830 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.727 -0.261 5.075 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.646 -1.612 5.847 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.656 -0.362 5.122 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.684 1.359 6.587 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.789 0.173 7.254 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.532 1.373 3.248 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.310 2.721 2.654 1.00 0.57 C ATOM 1064 C GLU A 70 -14.000 2.598 1.160 1.00 0.72 C ATOM 1065 O GLU A 70 -12.924 2.934 0.707 1.00 1.34 O ATOM 1066 CB GLU A 70 -13.117 3.294 3.416 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.900 2.392 3.215 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.619 1.616 4.505 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.522 1.513 5.320 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.507 1.139 4.655 1.00 1.89 O ATOM 0 H GLU A 70 -13.832 0.671 3.009 1.00 0.52 H new ATOM 0 HA GLU A 70 -15.188 3.362 2.736 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.898 4.302 3.064 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -13.354 3.372 4.477 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.080 1.699 2.393 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.031 2.991 2.942 1.00 1.05 H new ATOM 1077 N SER A 71 -14.940 2.123 0.393 1.00 0.55 N ATOM 1078 CA SER A 71 -14.711 1.981 -1.074 1.00 0.66 C ATOM 1079 C SER A 71 -14.875 3.335 -1.775 1.00 0.70 C ATOM 1080 O SER A 71 -14.477 3.506 -2.910 1.00 0.94 O ATOM 1081 CB SER A 71 -15.787 1.006 -1.550 1.00 0.79 C ATOM 1082 OG SER A 71 -16.961 1.173 -0.764 1.00 1.48 O ATOM 0 H SER A 71 -15.860 1.826 0.718 1.00 0.55 H new ATOM 0 HA SER A 71 -13.705 1.626 -1.298 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.013 1.182 -2.602 1.00 0.79 H new ATOM 0 HB3 SER A 71 -15.425 -0.019 -1.469 1.00 0.79 H new ATOM 0 HG SER A 71 -17.651 0.549 -1.071 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.465 4.294 -1.109 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.667 5.640 -1.732 1.00 0.71 C ATOM 1090 C ASP A 72 -14.387 6.124 -2.424 1.00 0.68 C ATOM 1091 O ASP A 72 -14.433 6.894 -3.363 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.028 6.563 -0.569 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.400 7.189 -0.822 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.350 6.441 -0.984 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.476 8.407 -0.851 1.00 1.83 O ATOM 0 H ASP A 72 -15.818 4.204 -0.156 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.441 5.618 -2.499 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.039 6.001 0.365 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.274 7.343 -0.463 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.246 5.671 -1.980 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.977 6.102 -2.633 1.00 0.68 C ATOM 1102 C LEU A 73 -11.444 4.981 -3.527 1.00 0.60 C ATOM 1103 O LEU A 73 -10.652 5.211 -4.420 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.990 6.423 -1.498 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.983 5.312 -0.444 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -9.560 5.120 0.087 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -11.893 5.714 0.716 1.00 1.22 C ATOM 0 H LEU A 73 -13.138 5.025 -1.198 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.126 6.975 -3.268 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -9.987 6.547 -1.908 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -11.263 7.370 -1.031 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.337 4.384 -0.893 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -9.555 4.329 0.837 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -8.899 4.845 -0.735 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -9.211 6.049 0.537 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -11.892 4.926 1.469 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -11.529 6.641 1.159 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -12.908 5.862 0.348 1.00 1.22 H new ATOM 1119 N ALA A 74 -11.887 3.773 -3.312 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.421 2.648 -4.169 1.00 0.56 C ATOM 1121 C ALA A 74 -12.292 2.580 -5.422 1.00 0.59 C ATOM 1122 O ALA A 74 -11.815 2.327 -6.510 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.594 1.393 -3.312 1.00 0.60 C ATOM 0 H ALA A 74 -12.551 3.517 -2.581 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.388 2.762 -4.496 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.270 0.519 -3.877 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -10.992 1.484 -2.408 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.643 1.281 -3.039 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.564 2.826 -5.278 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.459 2.799 -6.466 1.00 0.76 C ATOM 1131 C GLN A 75 -14.081 3.944 -7.406 1.00 0.78 C ATOM 1132 O GLN A 75 -14.320 3.891 -8.597 1.00 0.86 O ATOM 1133 CB GLN A 75 -15.869 2.998 -5.910 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.895 2.695 -7.004 1.00 1.42 C ATOM 1135 CD GLN A 75 -17.320 1.228 -6.913 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -17.070 0.572 -5.922 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -17.955 0.683 -7.914 1.00 2.40 N ATOM 0 H GLN A 75 -14.021 3.044 -4.392 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.383 1.871 -7.032 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.030 2.343 -5.054 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -15.991 4.022 -5.555 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.764 3.344 -6.892 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.467 2.901 -7.985 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.165 1.235 -8.746 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -18.242 -0.295 -7.865 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.482 4.979 -6.878 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.078 6.125 -7.738 1.00 0.84 C ATOM 1148 C GLN A 76 -12.065 5.658 -8.783 1.00 0.83 C ATOM 1149 O GLN A 76 -11.998 6.184 -9.877 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.442 7.136 -6.783 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.123 8.497 -6.946 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.718 8.933 -5.604 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.003 9.110 -4.639 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -15.007 9.112 -5.504 1.00 1.97 N ATOM 0 H GLN A 76 -13.256 5.078 -5.888 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.920 6.557 -8.279 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.540 6.790 -5.754 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.375 7.225 -6.989 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.402 9.237 -7.294 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.907 8.436 -7.701 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.607 8.963 -6.315 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.414 9.401 -4.615 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.278 4.666 -8.460 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.278 4.168 -9.445 1.00 0.81 C ATOM 1165 C TYR A 77 -10.900 3.055 -10.289 1.00 0.83 C ATOM 1166 O TYR A 77 -10.586 2.891 -11.452 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.124 3.628 -8.602 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.253 4.777 -8.155 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.409 5.412 -9.074 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.288 5.204 -6.823 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -6.599 6.477 -8.659 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.477 6.268 -6.408 1.00 1.19 C ATOM 1173 CZ TYR A 77 -6.640 6.910 -7.326 1.00 1.05 C ATOM 1174 OH TYR A 77 -5.835 7.953 -6.917 1.00 1.22 O ATOM 0 H TYR A 77 -11.285 4.182 -7.562 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.942 4.945 -10.132 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.511 3.092 -7.736 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.537 2.916 -9.182 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.382 5.081 -10.102 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.940 4.714 -6.115 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -5.943 6.964 -9.365 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.498 6.593 -5.378 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.603 7.836 -5.972 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.781 2.292 -9.709 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.430 1.189 -10.466 1.00 0.87 C ATOM 1186 C GLY A 78 -12.432 -0.065 -9.599 1.00 0.88 C ATOM 1187 O GLY A 78 -13.464 -0.513 -9.140 1.00 1.52 O ATOM 0 H GLY A 78 -12.081 2.385 -8.739 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.450 1.464 -10.734 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.894 1.004 -11.397 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.274 -0.625 -9.360 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.180 -1.851 -8.508 1.00 0.79 C ATOM 1193 C VAL A 79 -12.267 -2.867 -8.884 1.00 1.13 C ATOM 1194 O VAL A 79 -13.357 -2.849 -8.347 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.385 -1.343 -7.081 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -11.210 -2.499 -6.100 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.353 -0.256 -6.772 1.00 0.72 C ATOM 0 H VAL A 79 -10.383 -0.284 -9.721 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.228 -2.366 -8.633 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.389 -0.930 -6.984 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -11.356 -2.138 -5.082 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.943 -3.275 -6.318 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -10.206 -2.911 -6.198 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.499 0.106 -5.754 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.349 -0.669 -6.869 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.474 0.571 -7.472 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.982 -3.745 -9.804 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.001 -4.753 -10.215 1.00 1.72 C ATOM 1209 C ARG A 80 -12.954 -5.968 -9.285 1.00 1.38 C ATOM 1210 O ARG A 80 -13.920 -6.690 -9.142 1.00 1.87 O ATOM 1211 CB ARG A 80 -12.610 -5.153 -11.637 1.00 2.38 C ATOM 1212 CG ARG A 80 -13.597 -4.534 -12.629 1.00 2.85 C ATOM 1213 CD ARG A 80 -14.938 -5.266 -12.539 1.00 3.49 C ATOM 1214 NE ARG A 80 -14.797 -6.440 -13.443 1.00 4.06 N ATOM 1215 CZ ARG A 80 -15.803 -6.817 -14.186 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -16.936 -7.147 -13.631 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -15.673 -6.864 -15.484 1.00 5.25 N ATOM 0 H ARG A 80 -11.088 -3.809 -10.290 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.015 -4.356 -10.165 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -11.597 -4.815 -11.856 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -12.612 -6.239 -11.735 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -13.733 -3.475 -12.410 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -13.201 -4.601 -13.642 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.149 -5.578 -11.516 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -15.761 -4.623 -12.852 1.00 3.49 H new ATOM 0 HE ARG A 80 -13.915 -6.950 -13.482 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -17.037 -7.111 -12.617 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -17.722 -7.441 -14.211 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -14.786 -6.606 -15.917 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -16.458 -7.158 -16.065 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.838 -6.197 -8.650 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.731 -7.364 -7.731 1.00 0.81 C ATOM 1233 C GLY A 81 -10.621 -7.105 -6.713 1.00 0.74 C ATOM 1234 O GLY A 81 -9.737 -6.301 -6.935 1.00 1.17 O ATOM 0 H GLY A 81 -10.996 -5.627 -8.728 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.679 -7.526 -7.219 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.516 -8.270 -8.298 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.657 -7.779 -5.597 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.599 -7.564 -4.566 1.00 0.52 C ATOM 1240 C TYR A 82 -8.564 -8.699 -4.632 1.00 0.54 C ATOM 1241 O TYR A 82 -8.868 -9.771 -5.116 1.00 0.61 O ATOM 1242 CB TYR A 82 -10.320 -7.593 -3.209 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.569 -6.734 -3.239 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.585 -5.531 -3.957 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.712 -7.149 -2.546 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.744 -4.745 -3.979 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.869 -6.364 -2.568 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.886 -5.162 -3.285 1.00 0.75 C ATOM 1249 OH TYR A 82 -15.029 -4.388 -3.307 1.00 0.85 O ATOM 0 H TYR A 82 -11.370 -8.467 -5.353 1.00 0.61 H new ATOM 0 HA TYR A 82 -9.072 -6.623 -4.722 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.586 -8.619 -2.956 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.648 -7.237 -2.428 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.704 -5.210 -4.493 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.700 -8.077 -1.993 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.757 -3.817 -4.531 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.750 -6.685 -2.032 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.728 -4.822 -2.776 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.364 -8.440 -4.145 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.997 -7.131 -3.556 1.00 0.51 C ATOM 1261 C PRO A 83 -6.368 -6.223 -4.618 1.00 0.51 C ATOM 1262 O PRO A 83 -5.482 -6.627 -5.343 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.964 -7.515 -2.504 1.00 0.59 C ATOM 1264 CG PRO A 83 -5.373 -8.822 -2.968 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.231 -9.361 -4.095 1.00 0.64 C ATOM 0 HA PRO A 83 -7.847 -6.582 -3.151 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -5.195 -6.748 -2.413 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -6.426 -7.621 -1.522 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -4.348 -8.675 -3.308 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -5.336 -9.535 -2.145 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.687 -9.377 -5.039 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.555 -10.383 -3.897 1.00 0.64 H new ATOM 1273 N THR A 84 -6.806 -4.995 -4.708 1.00 0.45 N ATOM 1274 CA THR A 84 -6.209 -4.071 -5.716 1.00 0.45 C ATOM 1275 C THR A 84 -5.130 -3.217 -5.048 1.00 0.43 C ATOM 1276 O THR A 84 -5.422 -2.259 -4.361 1.00 0.52 O ATOM 1277 CB THR A 84 -7.370 -3.200 -6.204 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.533 -4.001 -6.349 1.00 0.67 O ATOM 1279 CG2 THR A 84 -7.007 -2.574 -7.553 1.00 0.56 C ATOM 0 H THR A 84 -7.546 -4.594 -4.132 1.00 0.45 H new ATOM 0 HA THR A 84 -5.737 -4.601 -6.543 1.00 0.45 H new ATOM 0 HB THR A 84 -7.562 -2.410 -5.478 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.284 -4.876 -6.714 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.833 -1.954 -7.901 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.114 -1.959 -7.440 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.815 -3.363 -8.280 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.887 -3.571 -5.226 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.792 -2.791 -4.581 1.00 0.41 C ATOM 1289 C ILE A 85 -2.185 -1.784 -5.561 1.00 0.41 C ATOM 1290 O ILE A 85 -2.010 -2.062 -6.730 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.750 -3.835 -4.178 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -2.391 -4.866 -3.245 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.592 -3.148 -3.452 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.593 -6.170 -3.305 1.00 1.27 C ATOM 0 H ILE A 85 -3.582 -4.365 -5.789 1.00 0.41 H new ATOM 0 HA ILE A 85 -3.154 -2.214 -3.730 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.376 -4.335 -5.072 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -2.411 -4.486 -2.224 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -3.425 -5.046 -3.539 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.150 -3.893 -3.165 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -0.132 -2.414 -4.113 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.968 -2.648 -2.560 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.048 -6.906 -2.641 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.596 -6.552 -4.326 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.566 -5.983 -2.990 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.853 -0.618 -5.082 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.243 0.416 -5.964 1.00 0.40 C ATOM 1308 C LYS A 86 -0.187 1.196 -5.179 1.00 0.38 C ATOM 1309 O LYS A 86 -0.083 1.073 -3.973 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.395 1.336 -6.374 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.531 0.504 -6.976 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.581 1.438 -7.582 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.779 1.544 -6.635 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.972 1.328 -7.502 1.00 1.73 N ATOM 0 H LYS A 86 -1.979 -0.335 -4.110 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.752 -0.018 -6.835 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.757 1.890 -5.508 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.046 2.071 -7.099 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.139 -0.166 -7.742 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.985 -0.121 -6.207 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.150 2.425 -7.752 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.903 1.059 -8.552 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.725 0.796 -5.844 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.814 2.519 -6.150 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -7.822 1.678 -7.016 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -6.848 1.842 -8.397 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.079 0.312 -7.698 1.00 1.73 H new ATOM 1328 N PHE A 87 0.598 1.998 -5.842 1.00 0.37 N ATOM 1329 CA PHE A 87 1.641 2.778 -5.119 1.00 0.36 C ATOM 1330 C PHE A 87 1.428 4.278 -5.337 1.00 0.33 C ATOM 1331 O PHE A 87 1.339 4.747 -6.454 1.00 0.37 O ATOM 1332 CB PHE A 87 2.975 2.323 -5.726 1.00 0.42 C ATOM 1333 CG PHE A 87 4.106 3.171 -5.184 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.127 3.524 -3.829 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.135 3.602 -6.034 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.173 4.306 -3.324 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.181 4.383 -5.528 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.201 4.744 -4.189 1.00 0.72 C ATOM 0 H PHE A 87 0.563 2.147 -6.850 1.00 0.37 H new ATOM 0 HA PHE A 87 1.610 2.610 -4.043 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.152 1.273 -5.491 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.936 2.405 -6.812 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.336 3.193 -3.173 1.00 0.44 H new ATOM 0 HD2 PHE A 87 5.120 3.331 -7.079 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.194 4.573 -2.278 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.976 4.706 -6.184 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.002 5.360 -3.808 1.00 0.72 H new ATOM 1348 N PHE A 88 1.349 5.033 -4.276 1.00 0.33 N ATOM 1349 CA PHE A 88 1.146 6.501 -4.421 1.00 0.35 C ATOM 1350 C PHE A 88 2.429 7.249 -4.052 1.00 0.42 C ATOM 1351 O PHE A 88 3.369 6.673 -3.540 1.00 0.61 O ATOM 1352 CB PHE A 88 0.028 6.841 -3.440 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.303 6.469 -4.047 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.991 7.391 -4.846 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.850 5.204 -3.810 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.226 7.046 -5.407 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.085 4.859 -4.371 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.770 5.782 -5.176 1.00 0.62 C ATOM 0 H PHE A 88 1.416 4.696 -3.315 1.00 0.33 H new ATOM 0 HA PHE A 88 0.894 6.786 -5.442 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.176 6.304 -2.503 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.048 7.905 -3.204 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.569 8.368 -5.029 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.319 4.493 -3.194 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.758 7.759 -6.019 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.510 3.884 -4.185 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.719 5.514 -5.617 1.00 0.62 H new ATOM 1368 N ARG A 89 2.478 8.529 -4.307 1.00 0.47 N ATOM 1369 CA ARG A 89 3.703 9.308 -3.968 1.00 0.55 C ATOM 1370 C ARG A 89 3.376 10.801 -3.865 1.00 0.64 C ATOM 1371 O ARG A 89 2.871 11.402 -4.792 1.00 1.05 O ATOM 1372 CB ARG A 89 4.673 9.049 -5.122 1.00 0.73 C ATOM 1373 CG ARG A 89 4.003 9.425 -6.446 1.00 1.15 C ATOM 1374 CD ARG A 89 4.811 10.528 -7.132 1.00 1.42 C ATOM 1375 NE ARG A 89 3.977 10.948 -8.292 1.00 1.73 N ATOM 1376 CZ ARG A 89 4.546 11.282 -9.417 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.406 10.477 -9.979 1.00 2.56 N ATOM 1378 NH2 ARG A 89 4.253 12.421 -9.982 1.00 2.43 N ATOM 0 H ARG A 89 1.724 9.067 -4.734 1.00 0.47 H new ATOM 0 HA ARG A 89 4.124 9.011 -3.008 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.583 9.633 -4.984 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.967 7.999 -5.136 1.00 0.73 H new ATOM 0 HG2 ARG A 89 3.938 8.551 -7.094 1.00 1.15 H new ATOM 0 HG3 ARG A 89 2.983 9.765 -6.266 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.995 11.362 -6.455 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.784 10.161 -7.457 1.00 1.42 H new ATOM 0 HE ARG A 89 2.961 10.974 -8.207 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.634 9.586 -9.538 1.00 2.56 H new ATOM 0 HH12 ARG A 89 5.850 10.739 -10.859 1.00 2.56 H new ATOM 0 HH21 ARG A 89 3.579 13.049 -9.544 1.00 2.43 H new ATOM 0 HH22 ARG A 89 4.697 12.683 -10.862 1.00 2.43 H new ATOM 1392 N ASN A 90 3.667 11.403 -2.742 1.00 0.57 N ATOM 1393 CA ASN A 90 3.381 12.859 -2.571 1.00 0.68 C ATOM 1394 C ASN A 90 1.938 13.177 -2.974 1.00 0.69 C ATOM 1395 O ASN A 90 1.689 14.052 -3.781 1.00 0.98 O ATOM 1396 CB ASN A 90 4.365 13.567 -3.503 1.00 0.87 C ATOM 1397 CG ASN A 90 4.181 15.082 -3.380 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.677 15.566 -2.387 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.573 15.854 -4.356 1.00 1.74 N ATOM 0 H ASN A 90 4.091 10.948 -1.934 1.00 0.57 H new ATOM 0 HA ASN A 90 3.493 13.178 -1.535 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.388 13.292 -3.247 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.199 13.252 -4.533 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.456 16.865 -4.285 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.996 15.447 -5.190 1.00 1.74 H new ATOM 1406 N GLY A 91 0.983 12.479 -2.418 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.442 12.746 -2.770 1.00 0.75 C ATOM 1408 C GLY A 91 -0.616 12.716 -4.290 1.00 0.79 C ATOM 1409 O GLY A 91 -0.521 13.728 -4.956 1.00 1.19 O ATOM 0 H GLY A 91 1.129 11.735 -1.735 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.087 11.999 -2.306 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.747 13.717 -2.379 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.872 11.563 -4.845 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.053 11.472 -6.323 1.00 1.27 C ATOM 1415 C ASP A 92 -2.482 11.868 -6.705 1.00 1.14 C ATOM 1416 O ASP A 92 -2.695 12.792 -7.465 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.791 10.005 -6.664 1.00 1.93 C ATOM 1418 CG ASP A 92 -0.099 9.914 -8.026 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -0.268 10.826 -8.818 1.00 2.41 O ATOM 1420 OD2 ASP A 92 0.591 8.933 -8.254 1.00 2.68 O ATOM 0 H ASP A 92 -0.964 10.681 -4.341 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.384 12.141 -6.864 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.167 9.548 -5.896 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.730 9.452 -6.683 1.00 1.93 H new ATOM 1425 N THR A 93 -3.460 11.173 -6.181 1.00 0.96 N ATOM 1426 CA THR A 93 -4.890 11.492 -6.497 1.00 1.33 C ATOM 1427 C THR A 93 -5.080 11.742 -7.999 1.00 1.26 C ATOM 1428 O THR A 93 -5.845 12.596 -8.402 1.00 1.90 O ATOM 1429 CB THR A 93 -5.210 12.759 -5.695 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.454 13.849 -6.203 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.865 12.538 -4.221 1.00 1.92 C ATOM 0 H THR A 93 -3.329 10.390 -5.541 1.00 0.96 H new ATOM 0 HA THR A 93 -5.551 10.666 -6.236 1.00 1.33 H new ATOM 0 HB THR A 93 -6.273 12.983 -5.786 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.022 13.585 -7.042 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.094 13.441 -3.654 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.452 11.706 -3.831 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.803 12.309 -4.126 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.394 11.003 -8.825 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.540 11.200 -10.297 1.00 1.18 C ATOM 1441 C ALA A 94 -4.129 9.930 -11.043 1.00 1.14 C ATOM 1442 O ALA A 94 -4.836 9.444 -11.903 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.599 12.354 -10.640 1.00 1.24 C ATOM 0 H ALA A 94 -3.739 10.272 -8.547 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.569 11.417 -10.584 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.650 12.560 -11.709 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.897 13.244 -10.085 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.578 12.083 -10.371 1.00 1.24 H new ATOM 1449 N SER A 95 -2.990 9.391 -10.716 1.00 1.20 N ATOM 1450 CA SER A 95 -2.523 8.151 -11.400 1.00 1.22 C ATOM 1451 C SER A 95 -1.380 7.508 -10.603 1.00 0.98 C ATOM 1452 O SER A 95 -0.225 7.812 -10.828 1.00 0.98 O ATOM 1453 CB SER A 95 -2.031 8.614 -12.771 1.00 1.48 C ATOM 1454 OG SER A 95 -1.457 7.516 -13.464 1.00 2.01 O ATOM 0 H SER A 95 -2.359 9.755 -10.002 1.00 1.20 H new ATOM 0 HA SER A 95 -3.311 7.403 -11.485 1.00 1.22 H new ATOM 0 HB2 SER A 95 -2.860 9.027 -13.346 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.295 9.410 -12.655 1.00 1.48 H new ATOM 0 HG SER A 95 -1.143 7.812 -14.344 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.739 6.638 -9.689 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.721 5.953 -8.853 1.00 0.72 C ATOM 1462 C PRO A 96 0.057 4.928 -9.685 1.00 0.65 C ATOM 1463 O PRO A 96 -0.376 4.516 -10.743 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.547 5.260 -7.773 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.900 5.074 -8.385 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.107 6.212 -9.347 1.00 1.02 C ATOM 0 HA PRO A 96 0.022 6.636 -8.442 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.106 4.304 -7.491 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.602 5.865 -6.868 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.961 4.116 -8.902 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.674 5.072 -7.617 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.659 5.893 -10.231 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.676 7.022 -8.891 1.00 1.02 H new ATOM 1474 N LYS A 97 1.202 4.515 -9.214 1.00 0.55 N ATOM 1475 CA LYS A 97 2.007 3.517 -9.978 1.00 0.57 C ATOM 1476 C LYS A 97 1.561 2.096 -9.626 1.00 0.53 C ATOM 1477 O LYS A 97 1.806 1.608 -8.540 1.00 0.89 O ATOM 1478 CB LYS A 97 3.451 3.750 -9.537 1.00 0.68 C ATOM 1479 CG LYS A 97 4.182 4.574 -10.599 1.00 0.85 C ATOM 1480 CD LYS A 97 5.691 4.373 -10.449 1.00 1.63 C ATOM 1481 CE LYS A 97 6.314 5.628 -9.837 1.00 2.05 C ATOM 1482 NZ LYS A 97 7.726 5.254 -9.547 1.00 2.61 N ATOM 0 H LYS A 97 1.615 4.824 -8.334 1.00 0.55 H new ATOM 0 HA LYS A 97 1.887 3.629 -11.056 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.471 4.271 -8.580 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.956 2.795 -9.391 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.861 4.270 -11.595 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.932 5.630 -10.492 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.892 3.509 -9.816 1.00 1.63 H new ATOM 0 HD3 LYS A 97 6.140 4.168 -11.421 1.00 1.63 H new ATOM 0 HE2 LYS A 97 6.262 6.471 -10.526 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.790 5.926 -8.929 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 8.220 6.066 -9.124 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 7.744 4.454 -8.883 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 8.201 4.981 -10.431 1.00 2.61 H new ATOM 1496 N GLU A 98 0.907 1.427 -10.536 1.00 0.51 N ATOM 1497 CA GLU A 98 0.446 0.036 -10.254 1.00 0.48 C ATOM 1498 C GLU A 98 1.617 -0.824 -9.772 1.00 0.45 C ATOM 1499 O GLU A 98 2.766 -0.533 -10.042 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.088 -0.483 -11.590 1.00 0.61 C ATOM 1501 CG GLU A 98 0.997 -0.359 -12.660 1.00 1.33 C ATOM 1502 CD GLU A 98 0.639 -1.242 -13.856 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.119 -0.787 -14.697 1.00 2.61 O ATOM 1504 OE2 GLU A 98 1.128 -2.358 -13.911 1.00 2.79 O ATOM 0 H GLU A 98 0.672 1.783 -11.463 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.312 0.004 -9.472 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.397 -1.524 -11.490 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.971 0.084 -11.885 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.093 0.679 -12.977 1.00 1.33 H new ATOM 0 HG3 GLU A 98 1.962 -0.657 -12.250 1.00 1.33 H new ATOM 1511 N TYR A 99 1.336 -1.882 -9.060 1.00 0.45 N ATOM 1512 CA TYR A 99 2.435 -2.758 -8.563 1.00 0.46 C ATOM 1513 C TYR A 99 2.544 -4.016 -9.428 1.00 0.53 C ATOM 1514 O TYR A 99 1.573 -4.481 -9.991 1.00 0.67 O ATOM 1515 CB TYR A 99 2.037 -3.126 -7.133 1.00 0.52 C ATOM 1516 CG TYR A 99 3.115 -3.993 -6.525 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.452 -3.583 -6.580 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.778 -5.206 -5.914 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.454 -4.387 -6.023 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.780 -6.010 -5.356 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.117 -5.600 -5.411 1.00 1.70 C ATOM 1522 OH TYR A 99 6.104 -6.391 -4.865 1.00 2.27 O ATOM 0 H TYR A 99 0.394 -2.177 -8.802 1.00 0.45 H new ATOM 0 HA TYR A 99 3.404 -2.261 -8.601 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.900 -2.224 -6.537 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.084 -3.656 -7.133 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.711 -2.647 -7.052 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.746 -5.522 -5.873 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.486 -4.072 -6.066 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.521 -6.946 -4.883 1.00 1.49 H new ATOM 0 HH TYR A 99 5.724 -7.257 -4.609 1.00 2.27 H new ATOM 1532 N THR A 100 3.721 -4.569 -9.539 1.00 0.60 N ATOM 1533 CA THR A 100 3.895 -5.799 -10.366 1.00 0.72 C ATOM 1534 C THR A 100 5.096 -6.603 -9.861 1.00 0.83 C ATOM 1535 O THR A 100 6.234 -6.208 -10.027 1.00 1.71 O ATOM 1536 CB THR A 100 4.148 -5.290 -11.787 1.00 0.93 C ATOM 1537 OG1 THR A 100 4.942 -4.113 -11.733 1.00 1.36 O ATOM 1538 CG2 THR A 100 2.813 -4.977 -12.466 1.00 1.13 C ATOM 0 H THR A 100 4.570 -4.223 -9.093 1.00 0.60 H new ATOM 0 HA THR A 100 3.027 -6.457 -10.320 1.00 0.72 H new ATOM 0 HB THR A 100 4.672 -6.056 -12.359 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.492 -4.127 -10.922 1.00 1.36 H new ATOM 0 HG21 THR A 100 2.995 -4.615 -13.478 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.206 -5.881 -12.508 1.00 1.13 H new ATOM 0 HG23 THR A 100 2.286 -4.212 -11.896 1.00 1.13 H new ATOM 1546 N ALA A 101 4.854 -7.727 -9.245 1.00 0.83 N ATOM 1547 CA ALA A 101 5.983 -8.553 -8.728 1.00 1.01 C ATOM 1548 C ALA A 101 5.507 -9.979 -8.436 1.00 1.36 C ATOM 1549 O ALA A 101 4.615 -10.489 -9.085 1.00 1.98 O ATOM 1550 CB ALA A 101 6.420 -7.856 -7.439 1.00 0.87 C ATOM 0 H ALA A 101 3.924 -8.110 -9.077 1.00 0.83 H new ATOM 0 HA ALA A 101 6.800 -8.635 -9.445 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.251 -8.403 -6.993 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.736 -6.838 -7.665 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.585 -7.830 -6.738 1.00 0.87 H new ATOM 1556 N GLY A 102 6.093 -10.627 -7.465 1.00 1.17 N ATOM 1557 CA GLY A 102 5.670 -12.017 -7.140 1.00 1.71 C ATOM 1558 C GLY A 102 4.661 -11.986 -5.992 1.00 1.08 C ATOM 1559 O GLY A 102 3.547 -11.526 -6.145 1.00 1.27 O ATOM 0 H GLY A 102 6.844 -10.254 -6.885 1.00 1.17 H new ATOM 0 HA2 GLY A 102 5.225 -12.488 -8.017 1.00 1.71 H new ATOM 0 HA3 GLY A 102 6.536 -12.617 -6.861 1.00 1.71 H new ATOM 1563 N ARG A 103 5.043 -12.470 -4.843 1.00 0.90 N ATOM 1564 CA ARG A 103 4.105 -12.467 -3.683 1.00 1.11 C ATOM 1565 C ARG A 103 4.879 -12.615 -2.371 1.00 0.94 C ATOM 1566 O ARG A 103 4.427 -13.248 -1.438 1.00 1.04 O ATOM 1567 CB ARG A 103 3.193 -13.674 -3.904 1.00 1.71 C ATOM 1568 CG ARG A 103 1.990 -13.253 -4.749 1.00 2.44 C ATOM 1569 CD ARG A 103 0.837 -14.235 -4.530 1.00 3.16 C ATOM 1570 NE ARG A 103 0.244 -14.437 -5.881 1.00 3.73 N ATOM 1571 CZ ARG A 103 -0.746 -13.685 -6.275 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -1.848 -13.640 -5.579 1.00 4.84 N ATOM 1573 NH2 ARG A 103 -0.635 -12.979 -7.367 1.00 4.81 N ATOM 0 H ARG A 103 5.964 -12.868 -4.656 1.00 0.90 H new ATOM 0 HA ARG A 103 3.541 -11.537 -3.615 1.00 1.11 H new ATOM 0 HB2 ARG A 103 3.742 -14.472 -4.405 1.00 1.71 H new ATOM 0 HB3 ARG A 103 2.857 -14.071 -2.946 1.00 1.71 H new ATOM 0 HG2 ARG A 103 1.678 -12.244 -4.478 1.00 2.44 H new ATOM 0 HG3 ARG A 103 2.265 -13.229 -5.804 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.194 -15.176 -4.110 1.00 3.16 H new ATOM 0 HD3 ARG A 103 0.103 -13.833 -3.832 1.00 3.16 H new ATOM 0 HE ARG A 103 0.611 -15.162 -6.497 1.00 3.73 H new ATOM 0 HH11 ARG A 103 -1.936 -14.193 -4.726 1.00 4.84 H new ATOM 0 HH12 ARG A 103 -2.622 -13.052 -5.887 1.00 4.84 H new ATOM 0 HH21 ARG A 103 0.226 -13.015 -7.912 1.00 4.81 H new ATOM 0 HH22 ARG A 103 -1.409 -12.391 -7.675 1.00 4.81 H new ATOM 1587 N GLU A 104 6.041 -12.030 -2.292 1.00 0.75 N ATOM 1588 CA GLU A 104 6.844 -12.129 -1.037 1.00 0.66 C ATOM 1589 C GLU A 104 7.440 -10.762 -0.712 1.00 0.56 C ATOM 1590 O GLU A 104 8.059 -10.166 -1.547 1.00 0.57 O ATOM 1591 CB GLU A 104 7.951 -13.136 -1.353 1.00 0.79 C ATOM 1592 CG GLU A 104 7.330 -14.504 -1.647 1.00 1.59 C ATOM 1593 CD GLU A 104 7.961 -15.555 -0.733 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.658 -15.544 0.449 1.00 2.04 O ATOM 1595 OE2 GLU A 104 8.737 -16.355 -1.231 1.00 2.51 O ATOM 0 H GLU A 104 6.471 -11.487 -3.041 1.00 0.75 H new ATOM 0 HA GLU A 104 6.250 -12.442 -0.178 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.532 -12.797 -2.211 1.00 0.79 H new ATOM 0 HB3 GLU A 104 8.640 -13.211 -0.512 1.00 0.79 H new ATOM 0 HG2 GLU A 104 6.252 -14.468 -1.488 1.00 1.59 H new ATOM 0 HG3 GLU A 104 7.490 -14.771 -2.692 1.00 1.59 H new ATOM 1602 N ALA A 105 7.230 -10.273 0.491 1.00 0.50 N ATOM 1603 CA ALA A 105 7.749 -8.917 0.922 1.00 0.44 C ATOM 1604 C ALA A 105 8.963 -8.422 0.107 1.00 0.45 C ATOM 1605 O ALA A 105 9.013 -7.280 -0.311 1.00 0.47 O ATOM 1606 CB ALA A 105 8.149 -9.109 2.384 1.00 0.47 C ATOM 0 H ALA A 105 6.707 -10.766 1.215 1.00 0.50 H new ATOM 0 HA ALA A 105 6.983 -8.157 0.765 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.539 -8.171 2.781 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.277 -9.414 2.963 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.917 -9.879 2.453 1.00 0.47 H new ATOM 1612 N ASP A 106 9.942 -9.258 -0.112 1.00 0.51 N ATOM 1613 CA ASP A 106 11.145 -8.815 -0.886 1.00 0.56 C ATOM 1614 C ASP A 106 10.748 -8.334 -2.290 1.00 0.54 C ATOM 1615 O ASP A 106 11.483 -7.620 -2.943 1.00 0.64 O ATOM 1616 CB ASP A 106 12.031 -10.056 -0.978 1.00 0.67 C ATOM 1617 CG ASP A 106 11.498 -10.985 -2.070 1.00 1.18 C ATOM 1618 OD1 ASP A 106 10.449 -11.572 -1.860 1.00 2.02 O ATOM 1619 OD2 ASP A 106 12.147 -11.093 -3.097 1.00 1.82 O ATOM 0 H ASP A 106 9.964 -10.226 0.209 1.00 0.51 H new ATOM 0 HA ASP A 106 11.652 -7.978 -0.405 1.00 0.56 H new ATOM 0 HB2 ASP A 106 13.058 -9.767 -1.201 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.047 -10.576 -0.020 1.00 0.67 H new ATOM 1624 N ASP A 107 9.599 -8.728 -2.755 1.00 0.50 N ATOM 1625 CA ASP A 107 9.145 -8.312 -4.111 1.00 0.52 C ATOM 1626 C ASP A 107 8.775 -6.829 -4.115 1.00 0.51 C ATOM 1627 O ASP A 107 9.152 -6.079 -4.994 1.00 0.63 O ATOM 1628 CB ASP A 107 7.929 -9.214 -4.409 1.00 0.55 C ATOM 1629 CG ASP A 107 8.274 -10.374 -5.356 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.928 -10.134 -6.355 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.866 -11.486 -5.066 1.00 1.39 O ATOM 0 H ASP A 107 8.947 -9.327 -2.249 1.00 0.50 H new ATOM 0 HA ASP A 107 9.917 -8.425 -4.872 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.541 -9.616 -3.473 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.134 -8.613 -4.851 1.00 0.55 H new ATOM 1636 N ILE A 108 8.041 -6.412 -3.135 1.00 0.46 N ATOM 1637 CA ILE A 108 7.628 -4.983 -3.049 1.00 0.52 C ATOM 1638 C ILE A 108 8.857 -4.100 -2.814 1.00 0.50 C ATOM 1639 O ILE A 108 8.964 -3.016 -3.352 1.00 0.52 O ATOM 1640 CB ILE A 108 6.668 -4.923 -1.857 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.382 -5.675 -2.205 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.327 -3.465 -1.536 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.635 -6.038 -0.921 1.00 0.68 C ATOM 0 H ILE A 108 7.702 -7.003 -2.376 1.00 0.46 H new ATOM 0 HA ILE A 108 7.154 -4.624 -3.963 1.00 0.52 H new ATOM 0 HB ILE A 108 7.143 -5.382 -0.990 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.750 -5.058 -2.843 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.618 -6.578 -2.768 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.644 -3.429 -0.687 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.240 -2.923 -1.290 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.854 -3.003 -2.402 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.719 -6.574 -1.172 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.267 -6.672 -0.299 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.385 -5.128 -0.376 1.00 0.68 H new ATOM 1655 N VAL A 109 9.786 -4.554 -2.019 1.00 0.51 N ATOM 1656 CA VAL A 109 11.003 -3.733 -1.761 1.00 0.56 C ATOM 1657 C VAL A 109 11.687 -3.377 -3.084 1.00 0.51 C ATOM 1658 O VAL A 109 12.078 -2.249 -3.309 1.00 0.55 O ATOM 1659 CB VAL A 109 11.915 -4.620 -0.913 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.232 -3.888 -0.652 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.228 -4.933 0.418 1.00 0.86 C ATOM 0 H VAL A 109 9.756 -5.453 -1.539 1.00 0.51 H new ATOM 0 HA VAL A 109 10.766 -2.796 -1.258 1.00 0.56 H new ATOM 0 HB VAL A 109 12.116 -5.551 -1.443 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.885 -4.518 -0.047 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.719 -3.666 -1.601 1.00 0.81 H new ATOM 0 HG13 VAL A 109 13.032 -2.957 -0.121 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.878 -5.565 1.023 1.00 0.86 H new ATOM 0 HG22 VAL A 109 11.027 -4.004 0.951 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.289 -5.453 0.229 1.00 0.86 H new ATOM 1671 N ASN A 110 11.835 -4.332 -3.961 1.00 0.50 N ATOM 1672 CA ASN A 110 12.494 -4.049 -5.267 1.00 0.52 C ATOM 1673 C ASN A 110 11.746 -2.941 -6.005 1.00 0.50 C ATOM 1674 O ASN A 110 12.314 -1.930 -6.372 1.00 0.59 O ATOM 1675 CB ASN A 110 12.411 -5.362 -6.045 1.00 0.59 C ATOM 1676 CG ASN A 110 13.715 -6.142 -5.869 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.785 -5.567 -5.870 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.670 -7.437 -5.717 1.00 1.29 N ATOM 0 H ASN A 110 11.528 -5.296 -3.829 1.00 0.50 H new ATOM 0 HA ASN A 110 13.523 -3.712 -5.146 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.569 -5.955 -5.689 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.235 -5.161 -7.102 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.533 -7.967 -5.599 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.771 -7.919 -5.716 1.00 1.29 H new ATOM 1685 N TRP A 111 10.477 -3.122 -6.225 1.00 0.46 N ATOM 1686 CA TRP A 111 9.686 -2.081 -6.938 1.00 0.51 C ATOM 1687 C TRP A 111 9.790 -0.745 -6.197 1.00 0.55 C ATOM 1688 O TRP A 111 9.679 0.313 -6.785 1.00 0.66 O ATOM 1689 CB TRP A 111 8.251 -2.601 -6.920 1.00 0.55 C ATOM 1690 CG TRP A 111 7.623 -2.388 -8.258 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.713 -3.242 -9.304 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.808 -1.269 -8.712 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.008 -2.717 -10.372 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.432 -1.502 -10.056 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.365 -0.087 -8.095 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.643 -0.594 -10.763 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.570 0.831 -8.803 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.211 0.577 -10.134 1.00 1.14 C ATOM 0 H TRP A 111 9.950 -3.948 -5.942 1.00 0.46 H new ATOM 0 HA TRP A 111 10.041 -1.907 -7.954 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.241 -3.661 -6.667 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.676 -2.085 -6.151 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.248 -4.180 -9.305 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.924 -3.171 -11.281 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.637 0.118 -7.070 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.368 -0.794 -11.788 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.234 1.736 -8.319 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.601 1.286 -10.673 1.00 1.14 H new ATOM 1709 N LEU A 112 10.005 -0.788 -4.911 1.00 0.55 N ATOM 1710 CA LEU A 112 10.122 0.478 -4.133 1.00 0.65 C ATOM 1711 C LEU A 112 11.538 1.044 -4.265 1.00 0.65 C ATOM 1712 O LEU A 112 11.727 2.228 -4.467 1.00 0.75 O ATOM 1713 CB LEU A 112 9.835 0.081 -2.684 1.00 0.74 C ATOM 1714 CG LEU A 112 8.438 0.567 -2.289 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.384 -0.246 -3.043 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.241 0.383 -0.783 1.00 1.10 C ATOM 0 H LEU A 112 10.105 -1.644 -4.365 1.00 0.55 H new ATOM 0 HA LEU A 112 9.436 1.248 -4.486 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.900 -1.001 -2.572 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.584 0.515 -2.022 1.00 0.74 H new ATOM 0 HG LEU A 112 8.335 1.622 -2.543 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.389 0.099 -2.762 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.524 -0.117 -4.116 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.487 -1.301 -2.788 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.246 0.729 -0.501 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.344 -0.672 -0.529 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.992 0.961 -0.245 1.00 1.10 H new ATOM 1728 N LYS A 113 12.535 0.208 -4.160 1.00 0.62 N ATOM 1729 CA LYS A 113 13.937 0.702 -4.286 1.00 0.70 C ATOM 1730 C LYS A 113 14.393 0.645 -5.749 1.00 0.75 C ATOM 1731 O LYS A 113 15.571 0.696 -6.042 1.00 1.01 O ATOM 1732 CB LYS A 113 14.772 -0.255 -3.432 1.00 0.79 C ATOM 1733 CG LYS A 113 14.953 0.332 -2.030 1.00 1.42 C ATOM 1734 CD LYS A 113 15.372 -0.779 -1.064 1.00 1.84 C ATOM 1735 CE LYS A 113 15.996 -0.162 0.190 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.792 -1.262 0.802 1.00 2.86 N ATOM 0 H LYS A 113 12.440 -0.794 -3.993 1.00 0.62 H new ATOM 0 HA LYS A 113 14.038 1.738 -3.961 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.281 -1.226 -3.370 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.744 -0.419 -3.897 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.708 1.118 -2.047 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.023 0.791 -1.693 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.507 -1.383 -0.792 1.00 1.84 H new ATOM 0 HD3 LYS A 113 16.087 -1.445 -1.548 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.627 0.690 -0.061 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.230 0.200 0.876 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.252 -0.917 1.669 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.163 -2.057 1.036 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.518 -1.582 0.129 1.00 2.86 H new ATOM 1750 N LYS A 114 13.473 0.537 -6.671 1.00 0.71 N ATOM 1751 CA LYS A 114 13.862 0.477 -8.110 1.00 0.89 C ATOM 1752 C LYS A 114 14.165 1.883 -8.635 1.00 1.07 C ATOM 1753 O LYS A 114 14.866 2.054 -9.612 1.00 1.31 O ATOM 1754 CB LYS A 114 12.646 -0.110 -8.826 1.00 0.92 C ATOM 1755 CG LYS A 114 12.933 -0.208 -10.326 1.00 1.45 C ATOM 1756 CD LYS A 114 12.199 -1.417 -10.911 1.00 1.77 C ATOM 1757 CE LYS A 114 12.149 -1.297 -12.436 1.00 2.49 C ATOM 1758 NZ LYS A 114 10.730 -0.973 -12.750 1.00 3.00 N ATOM 0 H LYS A 114 12.470 0.488 -6.490 1.00 0.71 H new ATOM 0 HA LYS A 114 14.758 -0.123 -8.270 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.416 -1.097 -8.424 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.771 0.517 -8.653 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.611 0.704 -10.829 1.00 1.45 H new ATOM 0 HG3 LYS A 114 14.005 -0.304 -10.496 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.708 -2.338 -10.625 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.188 -1.472 -10.507 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.821 -0.516 -12.793 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.457 -2.226 -12.915 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.616 -0.875 -13.779 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 10.115 -1.737 -12.405 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.467 -0.080 -12.286 1.00 3.00 H new ATOM 1772 N ARG A 115 13.644 2.890 -7.991 1.00 1.09 N ATOM 1773 CA ARG A 115 13.903 4.284 -8.449 1.00 1.40 C ATOM 1774 C ARG A 115 14.490 5.109 -7.302 1.00 1.25 C ATOM 1775 O ARG A 115 14.198 6.278 -7.149 1.00 1.55 O ATOM 1776 CB ARG A 115 12.535 4.831 -8.857 1.00 1.86 C ATOM 1777 CG ARG A 115 12.688 5.714 -10.097 1.00 2.43 C ATOM 1778 CD ARG A 115 12.838 4.832 -11.339 1.00 2.92 C ATOM 1779 NE ARG A 115 13.176 5.773 -12.442 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.270 6.098 -13.324 1.00 3.99 C ATOM 1781 NH1 ARG A 115 11.017 6.191 -12.970 1.00 4.34 N ATOM 1782 NH2 ARG A 115 12.617 6.332 -14.561 1.00 4.52 N ATOM 0 H ARG A 115 13.049 2.808 -7.166 1.00 1.09 H new ATOM 0 HA ARG A 115 14.616 4.324 -9.272 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.850 4.009 -9.065 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.103 5.407 -8.039 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.819 6.364 -10.203 1.00 2.43 H new ATOM 0 HG3 ARG A 115 13.559 6.361 -9.990 1.00 2.43 H new ATOM 0 HD2 ARG A 115 13.622 4.087 -11.202 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.917 4.290 -11.551 1.00 2.92 H new ATOM 0 HE ARG A 115 14.116 6.164 -12.509 1.00 3.45 H new ATOM 0 HH11 ARG A 115 10.745 6.010 -12.004 1.00 4.34 H new ATOM 0 HH12 ARG A 115 10.310 6.445 -13.660 1.00 4.34 H new ATOM 0 HH21 ARG A 115 13.596 6.261 -14.838 1.00 4.52 H new ATOM 0 HH22 ARG A 115 11.909 6.586 -15.250 1.00 4.52 H new