USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 79 LYS NZ :NH3+ -134:sc= 2.48 (180deg=-0.0988) USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 1.12 USER MOD Set 2.1: A 63 HIS : no HE2:sc= 1.02 K(o=0.91,f=-5.9!) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.112 K(o=0.91,f=-2.5!) USER MOD Set 3.1: A 41 THR OG1 : rot 72:sc= 0.985 USER MOD Set 3.2: A 75 CYS SG : rot -52:sc= 0.336 USER MOD Set 4.1: A 27 THR OG1 : rot -99:sc= -0.209 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.8 K(o=0.59,f=-6.1!) USER MOD Set 5.1: A 37 ASN : amide:sc= 0.236 K(o=0.41,f=-2.9!) USER MOD Set 5.2: A 74 SER OG : rot 161:sc= 0.178 USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.827) USER MOD Single : A 8 GLN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.781 K(o=0.78,f=-0.00023) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 2.45 (180deg=2.32) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 34 ASN : amide:sc= -1.89! X(o=-1.9!,f=-1.9) USER MOD Single : A 44 SER OG : rot -52:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= 1.16 (180deg=-0.599) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.985) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD Single : A 81 MET CE :methyl -125:sc= -0.0417 (180deg=-0.841) USER MOD Single : A 84 LYS NZ :NH3+ 134:sc= 2.27 (180deg=1.03) USER MOD Single : A 87 SER OG : rot 180:sc= 0.012 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.163 F(o=-2!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 14.909 3.348 5.642 1.00 1.13 N ATOM 65 CA GLU A 5 13.791 4.188 6.028 1.00 1.19 C ATOM 66 C GLU A 5 12.821 4.315 4.866 1.00 1.05 C ATOM 67 O GLU A 5 13.170 4.024 3.720 1.00 1.01 O ATOM 68 CB GLU A 5 14.275 5.575 6.460 1.00 1.48 C ATOM 69 CG GLU A 5 15.110 5.567 7.730 1.00 1.61 C ATOM 70 CD GLU A 5 14.810 6.749 8.627 1.00 2.22 C ATOM 71 OE1 GLU A 5 14.741 7.887 8.115 1.00 2.91 O ATOM 72 OE2 GLU A 5 14.651 6.550 9.851 1.00 2.57 O ATOM 0 HA GLU A 5 13.285 3.724 6.874 1.00 1.19 H new ATOM 0 HB2 GLU A 5 14.863 6.012 5.653 1.00 1.48 H new ATOM 0 HB3 GLU A 5 13.410 6.221 6.610 1.00 1.48 H new ATOM 0 HG2 GLU A 5 14.924 4.643 8.277 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.168 5.574 7.466 1.00 1.61 H new ATOM 79 N ILE A 6 11.608 4.744 5.161 1.00 1.00 N ATOM 80 CA ILE A 6 10.592 4.906 4.137 1.00 0.88 C ATOM 81 C ILE A 6 10.874 6.156 3.310 1.00 0.86 C ATOM 82 O ILE A 6 10.543 7.274 3.710 1.00 0.90 O ATOM 83 CB ILE A 6 9.183 4.987 4.758 1.00 0.86 C ATOM 84 CG1 ILE A 6 8.956 3.799 5.699 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.123 5.016 3.668 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.100 4.133 6.900 1.00 0.92 C ATOM 0 H ILE A 6 11.302 4.987 6.103 1.00 1.00 H new ATOM 0 HA ILE A 6 10.625 4.032 3.487 1.00 0.88 H new ATOM 0 HB ILE A 6 9.105 5.909 5.334 1.00 0.86 H new ATOM 0 HG12 ILE A 6 8.485 2.989 5.141 1.00 0.94 H new ATOM 0 HG13 ILE A 6 9.922 3.429 6.043 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.134 5.073 4.123 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.280 5.886 3.031 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.194 4.109 3.067 1.00 0.79 H new ATOM 0 HD11 ILE A 6 7.982 3.245 7.521 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.580 4.921 7.481 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.120 4.474 6.565 1.00 0.92 H new ATOM 98 N LYS A 7 11.516 5.955 2.169 1.00 0.86 N ATOM 99 CA LYS A 7 11.864 7.048 1.277 1.00 0.89 C ATOM 100 C LYS A 7 10.659 7.440 0.434 1.00 0.79 C ATOM 101 O LYS A 7 10.065 6.604 -0.250 1.00 0.74 O ATOM 102 CB LYS A 7 13.041 6.641 0.383 1.00 0.99 C ATOM 103 CG LYS A 7 14.312 6.324 1.162 1.00 1.10 C ATOM 104 CD LYS A 7 15.345 5.602 0.309 1.00 1.61 C ATOM 105 CE LYS A 7 15.877 6.492 -0.805 1.00 1.77 C ATOM 106 NZ LYS A 7 17.099 5.924 -1.437 1.00 2.23 N ATOM 0 H LYS A 7 11.808 5.036 1.838 1.00 0.86 H new ATOM 0 HA LYS A 7 12.163 7.911 1.871 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.757 5.768 -0.204 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.247 7.446 -0.322 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.742 7.250 1.544 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.062 5.708 2.026 1.00 1.10 H new ATOM 0 HD2 LYS A 7 16.172 5.274 0.939 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.898 4.706 -0.123 1.00 1.61 H new ATOM 0 HE2 LYS A 7 15.105 6.625 -1.563 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.102 7.480 -0.403 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.152 6.233 -2.429 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.941 6.256 -0.925 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 17.059 4.885 -1.399 1.00 2.23 H new ATOM 120 N GLN A 8 10.291 8.709 0.496 1.00 0.81 N ATOM 121 CA GLN A 8 9.152 9.206 -0.259 1.00 0.78 C ATOM 122 C GLN A 8 9.518 9.396 -1.726 1.00 0.90 C ATOM 123 O GLN A 8 10.639 9.788 -2.060 1.00 1.15 O ATOM 124 CB GLN A 8 8.636 10.520 0.336 1.00 0.93 C ATOM 125 CG GLN A 8 9.664 11.638 0.332 1.00 1.29 C ATOM 126 CD GLN A 8 9.068 12.991 0.671 1.00 1.76 C ATOM 127 OE1 GLN A 8 9.507 14.019 0.157 1.00 2.52 O ATOM 128 NE2 GLN A 8 8.069 13.003 1.540 1.00 1.94 N ATOM 0 H GLN A 8 10.764 9.414 1.061 1.00 0.81 H new ATOM 0 HA GLN A 8 8.356 8.464 -0.195 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.759 10.843 -0.225 1.00 0.93 H new ATOM 0 HB3 GLN A 8 8.311 10.341 1.361 1.00 0.93 H new ATOM 0 HG2 GLN A 8 10.451 11.404 1.049 1.00 1.29 H new ATOM 0 HG3 GLN A 8 10.133 11.689 -0.651 1.00 1.29 H new ATOM 0 HE21 GLN A 8 7.734 12.128 1.944 1.00 1.94 H new ATOM 0 HE22 GLN A 8 7.635 13.887 1.805 1.00 1.94 H new ATOM 137 N GLY A 9 8.570 9.101 -2.593 1.00 0.87 N ATOM 138 CA GLY A 9 8.789 9.244 -4.010 1.00 1.04 C ATOM 139 C GLY A 9 7.656 9.994 -4.668 1.00 0.71 C ATOM 140 O GLY A 9 6.816 10.576 -3.980 1.00 0.83 O ATOM 0 H GLY A 9 7.643 8.761 -2.337 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.727 9.772 -4.184 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.889 8.259 -4.466 1.00 1.04 H new ATOM 144 N GLU A 10 7.628 9.982 -5.993 1.00 1.04 N ATOM 145 CA GLU A 10 6.581 10.665 -6.745 1.00 0.82 C ATOM 146 C GLU A 10 5.220 10.018 -6.503 1.00 0.70 C ATOM 147 O GLU A 10 4.867 9.027 -7.148 1.00 0.72 O ATOM 148 CB GLU A 10 6.911 10.682 -8.244 1.00 0.79 C ATOM 149 CG GLU A 10 7.534 9.391 -8.763 1.00 1.82 C ATOM 150 CD GLU A 10 7.845 9.452 -10.242 1.00 2.48 C ATOM 151 OE1 GLU A 10 8.844 10.094 -10.619 1.00 3.19 O ATOM 152 OE2 GLU A 10 7.090 8.858 -11.039 1.00 2.65 O ATOM 0 H GLU A 10 8.320 9.506 -6.572 1.00 1.04 H new ATOM 0 HA GLU A 10 6.533 11.695 -6.391 1.00 0.82 H new ATOM 0 HB2 GLU A 10 5.997 10.881 -8.803 1.00 0.79 H new ATOM 0 HB3 GLU A 10 7.594 11.508 -8.445 1.00 0.79 H new ATOM 0 HG2 GLU A 10 8.451 9.186 -8.210 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.854 8.561 -8.572 1.00 1.82 H new ATOM 159 N ASN A 11 4.480 10.578 -5.548 1.00 0.63 N ATOM 160 CA ASN A 11 3.151 10.089 -5.182 1.00 0.59 C ATOM 161 C ASN A 11 3.222 8.637 -4.719 1.00 0.47 C ATOM 162 O ASN A 11 2.292 7.854 -4.932 1.00 0.44 O ATOM 163 CB ASN A 11 2.182 10.224 -6.365 1.00 0.71 C ATOM 164 CG ASN A 11 0.886 10.924 -5.991 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.803 12.153 -5.999 1.00 1.10 O ATOM 166 ND2 ASN A 11 -0.137 10.145 -5.672 1.00 1.38 N ATOM 0 H ASN A 11 4.785 11.385 -5.005 1.00 0.63 H new ATOM 0 HA ASN A 11 2.779 10.697 -4.358 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.670 10.778 -7.167 1.00 0.71 H new ATOM 0 HB3 ASN A 11 1.954 9.233 -6.756 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -1.035 10.559 -5.421 1.00 1.38 H new ATOM 0 HD22 ASN A 11 -0.027 9.131 -5.678 1.00 1.38 H new ATOM 173 N LYS A 12 4.330 8.285 -4.075 1.00 0.45 N ATOM 174 CA LYS A 12 4.532 6.926 -3.597 1.00 0.43 C ATOM 175 C LYS A 12 5.587 6.873 -2.497 1.00 0.46 C ATOM 176 O LYS A 12 6.148 7.898 -2.104 1.00 0.55 O ATOM 177 CB LYS A 12 4.966 6.021 -4.756 1.00 0.50 C ATOM 178 CG LYS A 12 6.347 6.344 -5.309 1.00 0.65 C ATOM 179 CD LYS A 12 6.908 5.179 -6.108 1.00 0.59 C ATOM 180 CE LYS A 12 8.199 5.559 -6.814 1.00 0.73 C ATOM 181 NZ LYS A 12 8.560 4.592 -7.885 1.00 0.94 N ATOM 0 H LYS A 12 5.100 8.923 -3.873 1.00 0.45 H new ATOM 0 HA LYS A 12 3.585 6.576 -3.186 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.954 4.985 -4.419 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.235 6.103 -5.561 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.289 7.229 -5.943 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.023 6.584 -4.488 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.090 4.335 -5.443 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.172 4.853 -6.843 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.095 6.555 -7.246 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.008 5.610 -6.085 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.472 4.863 -8.304 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.635 3.637 -7.480 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 7.825 4.599 -8.621 1.00 0.94 H new ATOM 195 N PHE A 13 5.841 5.665 -2.013 1.00 0.46 N ATOM 196 CA PHE A 13 6.841 5.414 -0.983 1.00 0.50 C ATOM 197 C PHE A 13 7.642 4.181 -1.380 1.00 0.50 C ATOM 198 O PHE A 13 7.077 3.231 -1.924 1.00 0.46 O ATOM 199 CB PHE A 13 6.184 5.187 0.381 1.00 0.51 C ATOM 200 CG PHE A 13 5.631 6.435 1.015 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.480 7.401 1.529 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.264 6.637 1.100 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.976 8.548 2.114 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.753 7.782 1.686 1.00 0.59 C ATOM 205 CZ PHE A 13 4.610 8.738 2.192 1.00 0.65 C ATOM 0 H PHE A 13 5.355 4.825 -2.326 1.00 0.46 H new ATOM 0 HA PHE A 13 7.493 6.283 -0.898 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.377 4.463 0.267 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.917 4.744 1.056 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.549 7.257 1.472 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.589 5.893 0.705 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.649 9.294 2.509 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.685 7.927 1.747 1.00 0.59 H new ATOM 0 HZ PHE A 13 4.213 9.633 2.648 1.00 0.65 H new ATOM 215 N TYR A 14 8.944 4.191 -1.138 1.00 0.60 N ATOM 216 CA TYR A 14 9.776 3.053 -1.500 1.00 0.64 C ATOM 217 C TYR A 14 10.993 2.935 -0.593 1.00 0.69 C ATOM 218 O TYR A 14 11.361 3.877 0.108 1.00 0.75 O ATOM 219 CB TYR A 14 10.220 3.162 -2.965 1.00 0.67 C ATOM 220 CG TYR A 14 11.168 4.307 -3.247 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.691 5.592 -3.484 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.542 4.104 -3.272 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.557 6.636 -3.739 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.411 5.143 -3.523 1.00 1.04 C ATOM 225 CZ TYR A 14 12.917 6.407 -3.755 1.00 1.03 C ATOM 226 OH TYR A 14 13.785 7.444 -3.998 1.00 1.16 O ATOM 0 H TYR A 14 9.443 4.964 -0.698 1.00 0.60 H new ATOM 0 HA TYR A 14 9.175 2.152 -1.372 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.701 2.228 -3.257 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.336 3.275 -3.592 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.627 5.776 -3.468 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.936 3.115 -3.092 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.172 7.628 -3.925 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.476 4.967 -3.538 1.00 1.04 H new ATOM 0 HH TYR A 14 14.707 7.112 -3.973 1.00 1.16 H new ATOM 236 N ILE A 15 11.605 1.763 -0.613 1.00 0.71 N ATOM 237 CA ILE A 15 12.789 1.491 0.181 1.00 0.78 C ATOM 238 C ILE A 15 13.856 0.847 -0.697 1.00 0.92 C ATOM 239 O ILE A 15 13.589 -0.138 -1.387 1.00 0.92 O ATOM 240 CB ILE A 15 12.472 0.564 1.381 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.523 1.262 2.362 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.754 0.144 2.091 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.013 0.358 3.464 1.00 0.71 C ATOM 0 H ILE A 15 11.294 0.974 -1.180 1.00 0.71 H new ATOM 0 HA ILE A 15 13.154 2.439 0.577 1.00 0.78 H new ATOM 0 HB ILE A 15 11.981 -0.332 1.000 1.00 0.73 H new ATOM 0 HG12 ILE A 15 12.039 2.111 2.810 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.673 1.661 1.809 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.509 -0.507 2.930 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.398 -0.391 1.393 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.274 1.029 2.458 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.348 0.922 4.118 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.468 -0.478 3.026 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.855 -0.021 4.043 1.00 0.71 H new ATOM 255 N GLY A 16 15.050 1.422 -0.696 1.00 1.09 N ATOM 256 CA GLY A 16 16.129 0.880 -1.494 1.00 1.26 C ATOM 257 C GLY A 16 17.154 1.924 -1.867 1.00 1.42 C ATOM 258 O GLY A 16 16.976 3.112 -1.580 1.00 1.52 O ATOM 0 H GLY A 16 15.290 2.254 -0.157 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.617 0.077 -0.941 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.718 0.438 -2.402 1.00 1.26 H new ATOM 262 N ASP A 17 18.231 1.475 -2.500 1.00 1.55 N ATOM 263 CA ASP A 17 19.314 2.357 -2.929 1.00 1.74 C ATOM 264 C ASP A 17 18.814 3.370 -3.951 1.00 1.66 C ATOM 265 O ASP A 17 18.901 4.577 -3.742 1.00 1.78 O ATOM 266 CB ASP A 17 20.454 1.530 -3.533 1.00 1.95 C ATOM 267 CG ASP A 17 21.595 2.387 -4.042 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.478 2.754 -3.240 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.602 2.715 -5.246 1.00 2.14 O ATOM 0 H ASP A 17 18.380 0.493 -2.731 1.00 1.55 H new ATOM 0 HA ASP A 17 19.682 2.898 -2.057 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.833 0.838 -2.781 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.064 0.927 -4.353 1.00 1.95 H new ATOM 274 N ASP A 18 18.281 2.862 -5.047 1.00 1.53 N ATOM 275 CA ASP A 18 17.759 3.702 -6.116 1.00 1.48 C ATOM 276 C ASP A 18 16.414 3.155 -6.567 1.00 1.37 C ATOM 277 O ASP A 18 16.081 2.019 -6.246 1.00 1.29 O ATOM 278 CB ASP A 18 18.746 3.733 -7.288 1.00 1.53 C ATOM 279 CG ASP A 18 18.225 4.519 -8.473 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.175 5.761 -8.390 1.00 1.60 O ATOM 281 OD2 ASP A 18 17.882 3.904 -9.499 1.00 1.41 O ATOM 0 H ASP A 18 18.197 1.861 -5.224 1.00 1.53 H new ATOM 0 HA ASP A 18 17.628 4.721 -5.752 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.687 4.170 -6.953 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.963 2.712 -7.602 1.00 1.53 H new ATOM 286 N GLU A 19 15.646 3.956 -7.294 1.00 1.41 N ATOM 287 CA GLU A 19 14.336 3.529 -7.777 1.00 1.38 C ATOM 288 C GLU A 19 14.449 2.348 -8.739 1.00 1.34 C ATOM 289 O GLU A 19 13.573 1.484 -8.773 1.00 1.34 O ATOM 290 CB GLU A 19 13.612 4.681 -8.465 1.00 1.49 C ATOM 291 CG GLU A 19 13.028 5.696 -7.501 1.00 1.76 C ATOM 292 CD GLU A 19 11.824 6.399 -8.081 1.00 2.08 C ATOM 293 OE1 GLU A 19 10.864 5.708 -8.476 1.00 2.72 O ATOM 294 OE2 GLU A 19 11.826 7.645 -8.145 1.00 2.43 O ATOM 0 H GLU A 19 15.906 4.905 -7.563 1.00 1.41 H new ATOM 0 HA GLU A 19 13.761 3.211 -6.908 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.307 5.187 -9.135 1.00 1.49 H new ATOM 0 HB3 GLU A 19 12.810 4.277 -9.083 1.00 1.49 H new ATOM 0 HG2 GLU A 19 12.744 5.195 -6.575 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.789 6.433 -7.245 1.00 1.76 H new ATOM 301 N ASN A 20 15.525 2.316 -9.521 1.00 1.37 N ATOM 302 CA ASN A 20 15.744 1.235 -10.478 1.00 1.39 C ATOM 303 C ASN A 20 16.033 -0.062 -9.733 1.00 1.40 C ATOM 304 O ASN A 20 15.518 -1.126 -10.079 1.00 1.52 O ATOM 305 CB ASN A 20 16.907 1.579 -11.416 1.00 1.48 C ATOM 306 CG ASN A 20 17.056 0.584 -12.550 1.00 2.08 C ATOM 307 OD1 ASN A 20 17.714 -0.445 -12.411 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.454 0.891 -13.687 1.00 2.15 N ATOM 0 H ASN A 20 16.258 3.025 -9.511 1.00 1.37 H new ATOM 0 HA ASN A 20 14.844 1.107 -11.079 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.752 2.575 -11.830 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.834 1.612 -10.843 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.527 0.264 -14.488 1.00 2.15 H new ATOM 0 HD22 ASN A 20 15.917 1.755 -13.763 1.00 2.15 H new ATOM 315 N ASN A 21 16.833 0.051 -8.683 1.00 1.36 N ATOM 316 CA ASN A 21 17.206 -1.092 -7.860 1.00 1.38 C ATOM 317 C ASN A 21 16.425 -1.071 -6.552 1.00 1.25 C ATOM 318 O ASN A 21 16.945 -1.438 -5.497 1.00 1.23 O ATOM 319 CB ASN A 21 18.709 -1.061 -7.566 1.00 1.54 C ATOM 320 CG ASN A 21 19.405 -2.359 -7.916 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.491 -3.276 -7.098 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.925 -2.435 -9.129 1.00 2.45 N ATOM 0 H ASN A 21 17.241 0.934 -8.377 1.00 1.36 H new ATOM 0 HA ASN A 21 16.968 -2.007 -8.403 1.00 1.38 H new ATOM 0 HB2 ASN A 21 19.167 -0.246 -8.127 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.863 -0.846 -6.509 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.421 -3.278 -9.419 1.00 2.45 H new ATOM 0 HD22 ASN A 21 19.830 -1.651 -9.775 1.00 2.45 H new ATOM 329 N ALA A 22 15.175 -0.631 -6.629 1.00 1.19 N ATOM 330 CA ALA A 22 14.319 -0.538 -5.455 1.00 1.09 C ATOM 331 C ALA A 22 14.027 -1.913 -4.879 1.00 1.06 C ATOM 332 O ALA A 22 13.678 -2.845 -5.609 1.00 1.14 O ATOM 333 CB ALA A 22 13.019 0.174 -5.799 1.00 1.04 C ATOM 0 H ALA A 22 14.731 -0.332 -7.497 1.00 1.19 H new ATOM 0 HA ALA A 22 14.849 0.042 -4.699 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.391 0.235 -4.910 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.239 1.180 -6.157 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.495 -0.382 -6.576 1.00 1.04 H new ATOM 339 N LEU A 23 14.179 -2.038 -3.571 1.00 0.99 N ATOM 340 CA LEU A 23 13.910 -3.296 -2.899 1.00 0.99 C ATOM 341 C LEU A 23 12.412 -3.517 -2.849 1.00 0.87 C ATOM 342 O LEU A 23 11.923 -4.623 -3.087 1.00 0.95 O ATOM 343 CB LEU A 23 14.483 -3.285 -1.481 1.00 1.05 C ATOM 344 CG LEU A 23 15.967 -2.930 -1.382 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.354 -2.670 0.065 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.824 -4.038 -1.975 1.00 1.37 C ATOM 0 H LEU A 23 14.487 -1.285 -2.956 1.00 0.99 H new ATOM 0 HA LEU A 23 14.387 -4.106 -3.452 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.915 -2.573 -0.882 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.331 -4.269 -1.037 1.00 1.05 H new ATOM 0 HG LEU A 23 16.143 -2.020 -1.955 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.413 -2.419 0.119 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.764 -1.841 0.456 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.163 -3.564 0.659 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.877 -3.766 -1.895 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.646 -4.966 -1.431 1.00 1.37 H new ATOM 0 HD23 LEU A 23 16.564 -4.177 -3.024 1.00 1.37 H new ATOM 358 N ALA A 24 11.693 -2.442 -2.561 1.00 0.77 N ATOM 359 CA ALA A 24 10.247 -2.479 -2.475 1.00 0.66 C ATOM 360 C ALA A 24 9.668 -1.088 -2.677 1.00 0.60 C ATOM 361 O ALA A 24 10.297 -0.092 -2.319 1.00 0.67 O ATOM 362 CB ALA A 24 9.820 -3.035 -1.128 1.00 0.71 C ATOM 0 H ALA A 24 12.098 -1.523 -2.381 1.00 0.77 H new ATOM 0 HA ALA A 24 9.866 -3.130 -3.262 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.732 -3.059 -1.073 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.212 -4.045 -1.011 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.210 -2.400 -0.332 1.00 0.71 H new ATOM 368 N GLU A 25 8.480 -1.021 -3.261 1.00 0.54 N ATOM 369 CA GLU A 25 7.811 0.245 -3.498 1.00 0.52 C ATOM 370 C GLU A 25 6.296 0.066 -3.478 1.00 0.43 C ATOM 371 O GLU A 25 5.776 -1.003 -3.819 1.00 0.45 O ATOM 372 CB GLU A 25 8.249 0.860 -4.832 1.00 0.65 C ATOM 373 CG GLU A 25 7.759 0.107 -6.060 1.00 0.84 C ATOM 374 CD GLU A 25 7.785 0.961 -7.309 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.497 1.988 -7.320 1.00 1.33 O ATOM 376 OE2 GLU A 25 7.104 0.607 -8.296 1.00 1.02 O ATOM 0 H GLU A 25 7.958 -1.837 -3.581 1.00 0.54 H new ATOM 0 HA GLU A 25 8.096 0.925 -2.696 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.887 1.887 -4.882 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.338 0.904 -4.858 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.380 -0.775 -6.214 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.742 -0.245 -5.885 1.00 0.84 H new ATOM 383 N ILE A 26 5.602 1.110 -3.057 1.00 0.40 N ATOM 384 CA ILE A 26 4.150 1.110 -3.000 1.00 0.33 C ATOM 385 C ILE A 26 3.628 2.435 -3.557 1.00 0.33 C ATOM 386 O ILE A 26 4.069 3.510 -3.141 1.00 0.38 O ATOM 387 CB ILE A 26 3.640 0.878 -1.552 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.112 0.911 -1.499 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.229 1.905 -0.592 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.542 0.380 -0.198 1.00 0.34 C ATOM 0 H ILE A 26 6.030 1.982 -2.745 1.00 0.40 H new ATOM 0 HA ILE A 26 3.772 0.287 -3.607 1.00 0.33 H new ATOM 0 HB ILE A 26 3.973 -0.111 -1.238 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.773 1.937 -1.643 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.715 0.324 -2.327 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.855 1.719 0.415 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.316 1.825 -0.596 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.938 2.907 -0.908 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.454 0.433 -0.229 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.851 -0.656 -0.061 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.911 0.981 0.633 1.00 0.34 H new ATOM 402 N THR A 27 2.722 2.364 -4.520 1.00 0.33 N ATOM 403 CA THR A 27 2.184 3.565 -5.139 1.00 0.35 C ATOM 404 C THR A 27 0.737 3.800 -4.733 1.00 0.37 C ATOM 405 O THR A 27 -0.036 2.854 -4.585 1.00 0.41 O ATOM 406 CB THR A 27 2.283 3.485 -6.680 1.00 0.40 C ATOM 407 OG1 THR A 27 1.705 2.264 -7.160 1.00 0.60 O ATOM 408 CG2 THR A 27 3.729 3.565 -7.136 1.00 0.51 C ATOM 0 H THR A 27 2.345 1.491 -4.889 1.00 0.33 H new ATOM 0 HA THR A 27 2.784 4.404 -4.786 1.00 0.35 H new ATOM 0 HB THR A 27 1.733 4.332 -7.090 1.00 0.40 H new ATOM 0 HG1 THR A 27 2.415 1.612 -7.333 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.771 3.506 -8.224 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.163 4.509 -6.806 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.292 2.737 -6.706 1.00 0.51 H new ATOM 416 N TYR A 28 0.378 5.060 -4.545 1.00 0.39 N ATOM 417 CA TYR A 28 -0.981 5.412 -4.165 1.00 0.45 C ATOM 418 C TYR A 28 -1.462 6.591 -4.997 1.00 0.48 C ATOM 419 O TYR A 28 -0.659 7.416 -5.437 1.00 0.68 O ATOM 420 CB TYR A 28 -1.066 5.744 -2.668 1.00 0.48 C ATOM 421 CG TYR A 28 -0.165 6.879 -2.229 1.00 0.49 C ATOM 422 CD1 TYR A 28 -0.601 8.198 -2.275 1.00 0.59 C ATOM 423 CD2 TYR A 28 1.119 6.630 -1.762 1.00 0.51 C ATOM 424 CE1 TYR A 28 0.219 9.235 -1.875 1.00 0.66 C ATOM 425 CE2 TYR A 28 1.943 7.662 -1.360 1.00 0.60 C ATOM 426 CZ TYR A 28 1.488 8.961 -1.417 1.00 0.65 C ATOM 427 OH TYR A 28 2.309 9.989 -1.016 1.00 0.76 O ATOM 0 H TYR A 28 1.008 5.855 -4.649 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.626 4.554 -4.356 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.097 5.998 -2.422 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.812 4.852 -2.095 1.00 0.48 H new ATOM 0 HD1 TYR A 28 -1.598 8.416 -2.629 1.00 0.59 H new ATOM 0 HD2 TYR A 28 1.479 5.613 -1.713 1.00 0.51 H new ATOM 0 HE1 TYR A 28 -0.133 10.255 -1.921 1.00 0.66 H new ATOM 0 HE2 TYR A 28 2.940 7.452 -1.002 1.00 0.60 H new ATOM 0 HH TYR A 28 3.169 9.624 -0.720 1.00 0.76 H new ATOM 437 N ARG A 29 -2.762 6.661 -5.222 1.00 0.42 N ATOM 438 CA ARG A 29 -3.341 7.742 -6.002 1.00 0.48 C ATOM 439 C ARG A 29 -4.651 8.208 -5.381 1.00 0.48 C ATOM 440 O ARG A 29 -5.309 7.460 -4.654 1.00 0.49 O ATOM 441 CB ARG A 29 -3.582 7.286 -7.442 1.00 0.56 C ATOM 442 CG ARG A 29 -3.146 8.297 -8.493 1.00 0.93 C ATOM 443 CD ARG A 29 -1.633 8.463 -8.531 1.00 1.22 C ATOM 444 NE ARG A 29 -0.939 7.185 -8.693 1.00 1.83 N ATOM 445 CZ ARG A 29 0.382 7.062 -8.834 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.160 8.136 -8.918 1.00 3.23 N ATOM 447 NH2 ARG A 29 0.923 5.856 -8.923 1.00 3.63 N ATOM 0 H ARG A 29 -3.438 5.981 -4.875 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.639 8.576 -6.005 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -3.049 6.350 -7.610 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.644 7.076 -7.573 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.500 7.977 -9.473 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -3.611 9.260 -8.285 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.363 9.127 -9.352 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.299 8.942 -7.610 1.00 1.22 H new ATOM 0 HE ARG A 29 -1.501 6.334 -8.698 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.749 9.068 -8.875 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.169 8.028 -9.026 1.00 3.23 H new ATOM 0 HH21 ARG A 29 0.330 5.027 -8.884 1.00 3.63 H new ATOM 0 HH22 ARG A 29 1.932 5.757 -9.031 1.00 3.63 H new ATOM 461 N PHE A 30 -5.023 9.441 -5.667 1.00 0.56 N ATOM 462 CA PHE A 30 -6.253 10.013 -5.141 1.00 0.60 C ATOM 463 C PHE A 30 -7.416 9.712 -6.080 1.00 0.68 C ATOM 464 O PHE A 30 -7.520 10.294 -7.159 1.00 0.83 O ATOM 465 CB PHE A 30 -6.105 11.527 -4.958 1.00 0.66 C ATOM 466 CG PHE A 30 -5.451 11.930 -3.664 1.00 0.66 C ATOM 467 CD1 PHE A 30 -4.114 11.652 -3.428 1.00 0.70 C ATOM 468 CD2 PHE A 30 -6.175 12.592 -2.688 1.00 0.72 C ATOM 469 CE1 PHE A 30 -3.513 12.025 -2.242 1.00 0.77 C ATOM 470 CE2 PHE A 30 -5.579 12.970 -1.500 1.00 0.80 C ATOM 471 CZ PHE A 30 -4.246 12.686 -1.277 1.00 0.82 C ATOM 0 H PHE A 30 -4.489 10.072 -6.265 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.456 9.563 -4.169 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.521 11.927 -5.787 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -7.092 11.987 -5.012 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.535 11.137 -4.181 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -7.218 12.816 -2.857 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -2.471 11.800 -2.070 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -6.155 13.487 -0.747 1.00 0.80 H new ATOM 0 HZ PHE A 30 -3.778 12.981 -0.349 1.00 0.82 H new ATOM 481 N VAL A 31 -8.282 8.792 -5.676 1.00 0.62 N ATOM 482 CA VAL A 31 -9.431 8.425 -6.495 1.00 0.70 C ATOM 483 C VAL A 31 -10.561 9.424 -6.311 1.00 0.73 C ATOM 484 O VAL A 31 -11.406 9.599 -7.188 1.00 0.83 O ATOM 485 CB VAL A 31 -9.947 7.005 -6.176 1.00 0.72 C ATOM 486 CG1 VAL A 31 -9.021 5.956 -6.765 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.099 6.798 -4.676 1.00 0.67 C ATOM 0 H VAL A 31 -8.212 8.288 -4.792 1.00 0.62 H new ATOM 0 HA VAL A 31 -9.093 8.437 -7.531 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.931 6.897 -6.632 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.401 4.962 -6.530 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.973 6.079 -7.847 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -8.023 6.073 -6.342 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.464 5.789 -4.483 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.133 6.934 -4.190 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.810 7.523 -4.279 1.00 0.67 H new ATOM 497 N ASP A 32 -10.565 10.085 -5.165 1.00 0.72 N ATOM 498 CA ASP A 32 -11.586 11.070 -4.856 1.00 0.84 C ATOM 499 C ASP A 32 -10.946 12.305 -4.225 1.00 0.97 C ATOM 500 O ASP A 32 -10.430 13.168 -4.930 1.00 1.74 O ATOM 501 CB ASP A 32 -12.643 10.459 -3.929 1.00 0.84 C ATOM 502 CG ASP A 32 -13.765 11.423 -3.606 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.610 11.675 -4.488 1.00 1.16 O ATOM 504 OD2 ASP A 32 -13.803 11.936 -2.472 1.00 1.16 O ATOM 0 H ASP A 32 -9.869 9.956 -4.431 1.00 0.72 H new ATOM 0 HA ASP A 32 -12.081 11.377 -5.777 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -13.059 9.567 -4.398 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.166 10.139 -3.002 1.00 0.84 H new ATOM 509 N ASN A 33 -10.963 12.375 -2.904 1.00 0.89 N ATOM 510 CA ASN A 33 -10.372 13.494 -2.180 1.00 0.95 C ATOM 511 C ASN A 33 -9.861 13.010 -0.833 1.00 0.84 C ATOM 512 O ASN A 33 -8.717 13.257 -0.457 1.00 1.07 O ATOM 513 CB ASN A 33 -11.403 14.611 -1.987 1.00 1.09 C ATOM 514 CG ASN A 33 -10.946 15.661 -0.991 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.206 15.549 0.209 1.00 2.09 O ATOM 516 ND2 ASN A 33 -10.270 16.691 -1.476 1.00 2.72 N ATOM 0 H ASN A 33 -11.383 11.664 -2.305 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.540 13.895 -2.759 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -11.601 15.088 -2.947 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -12.343 14.178 -1.647 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -9.945 17.428 -0.850 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -10.075 16.748 -2.476 1.00 2.72 H new ATOM 523 N ASN A 34 -10.719 12.300 -0.119 1.00 0.73 N ATOM 524 CA ASN A 34 -10.364 11.759 1.184 1.00 0.86 C ATOM 525 C ASN A 34 -10.177 10.252 1.076 1.00 0.88 C ATOM 526 O ASN A 34 -10.179 9.530 2.073 1.00 1.22 O ATOM 527 CB ASN A 34 -11.454 12.087 2.208 1.00 1.01 C ATOM 528 CG ASN A 34 -10.919 12.200 3.624 1.00 1.35 C ATOM 529 OD1 ASN A 34 -10.499 13.273 4.059 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.944 11.102 4.359 1.00 1.83 N ATOM 0 H ASN A 34 -11.669 12.084 -0.420 1.00 0.73 H new ATOM 0 HA ASN A 34 -9.430 12.212 1.518 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.935 13.025 1.931 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -12.221 11.313 2.175 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.608 11.125 5.322 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.299 10.232 3.964 1.00 1.83 H new ATOM 537 N GLU A 35 -10.014 9.784 -0.155 1.00 0.64 N ATOM 538 CA GLU A 35 -9.843 8.365 -0.428 1.00 0.62 C ATOM 539 C GLU A 35 -8.653 8.148 -1.354 1.00 0.57 C ATOM 540 O GLU A 35 -8.576 8.750 -2.433 1.00 0.59 O ATOM 541 CB GLU A 35 -11.109 7.791 -1.072 1.00 0.68 C ATOM 542 CG GLU A 35 -12.394 8.418 -0.555 1.00 1.01 C ATOM 543 CD GLU A 35 -13.640 7.802 -1.159 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.598 7.394 -2.334 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.671 7.732 -0.456 1.00 2.25 O ATOM 0 H GLU A 35 -9.997 10.374 -0.987 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.660 7.851 0.516 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -11.054 7.933 -2.151 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -11.142 6.716 -0.894 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.432 8.312 0.529 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -12.383 9.486 -0.771 1.00 1.01 H new ATOM 552 N ILE A 36 -7.729 7.296 -0.932 1.00 0.52 N ATOM 553 CA ILE A 36 -6.543 6.996 -1.723 1.00 0.48 C ATOM 554 C ILE A 36 -6.460 5.505 -2.013 1.00 0.46 C ATOM 555 O ILE A 36 -6.740 4.675 -1.145 1.00 0.53 O ATOM 556 CB ILE A 36 -5.241 7.457 -1.028 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.236 7.058 0.449 1.00 0.48 C ATOM 558 CG2 ILE A 36 -5.069 8.960 -1.170 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.912 7.310 1.140 1.00 0.51 C ATOM 0 H ILE A 36 -7.778 6.799 -0.043 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.639 7.550 -2.657 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.403 6.960 -1.516 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.019 7.611 0.969 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.484 6.000 0.532 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.148 9.269 -0.676 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -5.019 9.222 -2.227 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.916 9.468 -0.710 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -3.982 7.004 2.184 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.128 6.736 0.645 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.671 8.372 1.089 1.00 0.51 H new ATOM 571 N ASN A 37 -6.074 5.168 -3.231 1.00 0.44 N ATOM 572 CA ASN A 37 -5.974 3.776 -3.635 1.00 0.46 C ATOM 573 C ASN A 37 -4.529 3.372 -3.866 1.00 0.42 C ATOM 574 O ASN A 37 -3.722 4.164 -4.347 1.00 0.50 O ATOM 575 CB ASN A 37 -6.786 3.522 -4.916 1.00 0.54 C ATOM 576 CG ASN A 37 -6.028 3.890 -6.186 1.00 0.86 C ATOM 577 OD1 ASN A 37 -5.991 5.052 -6.585 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.430 2.898 -6.838 1.00 0.98 N ATOM 0 H ASN A 37 -5.825 5.839 -3.958 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.381 3.172 -2.824 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.066 2.469 -4.959 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.711 4.097 -4.873 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -4.919 3.089 -7.700 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.482 1.946 -6.477 1.00 0.98 H new ATOM 585 N ILE A 38 -4.203 2.150 -3.483 1.00 0.36 N ATOM 586 CA ILE A 38 -2.873 1.618 -3.705 1.00 0.33 C ATOM 587 C ILE A 38 -2.844 1.009 -5.096 1.00 0.41 C ATOM 588 O ILE A 38 -3.431 -0.050 -5.330 1.00 0.53 O ATOM 589 CB ILE A 38 -2.482 0.559 -2.648 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.337 1.222 -1.277 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.183 -0.141 -3.040 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.287 0.239 -0.125 1.00 0.69 C ATOM 0 H ILE A 38 -4.843 1.508 -3.016 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.147 2.426 -3.616 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.271 -0.192 -2.598 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.428 1.824 -1.269 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.173 1.905 -1.124 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -0.926 -0.882 -2.283 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.312 -0.636 -4.003 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.382 0.594 -3.115 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.183 0.783 0.814 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.207 -0.346 -0.106 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.435 -0.429 -0.253 1.00 0.69 H new ATOM 604 N ASP A 39 -2.192 1.703 -6.018 1.00 0.52 N ATOM 605 CA ASP A 39 -2.110 1.270 -7.407 1.00 0.73 C ATOM 606 C ASP A 39 -1.442 -0.087 -7.531 1.00 0.50 C ATOM 607 O ASP A 39 -2.092 -1.083 -7.854 1.00 0.64 O ATOM 608 CB ASP A 39 -1.344 2.295 -8.238 1.00 1.08 C ATOM 609 CG ASP A 39 -2.212 3.439 -8.715 1.00 1.73 C ATOM 610 OD1 ASP A 39 -3.433 3.238 -8.889 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.669 4.541 -8.938 1.00 2.47 O ATOM 0 H ASP A 39 -1.706 2.579 -5.826 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.129 1.184 -7.783 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -0.521 2.694 -7.644 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.902 1.797 -9.101 1.00 1.08 H new ATOM 616 N HIS A 40 -0.144 -0.136 -7.268 1.00 0.37 N ATOM 617 CA HIS A 40 0.591 -1.387 -7.369 1.00 0.44 C ATOM 618 C HIS A 40 1.548 -1.559 -6.196 1.00 0.39 C ATOM 619 O HIS A 40 2.076 -0.584 -5.659 1.00 0.42 O ATOM 620 CB HIS A 40 1.339 -1.489 -8.716 1.00 0.72 C ATOM 621 CG HIS A 40 2.563 -0.624 -8.855 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.593 0.517 -9.627 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.813 -0.765 -8.350 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.805 1.037 -9.594 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.562 0.279 -8.826 1.00 1.64 N ATOM 0 H HIS A 40 0.417 0.668 -6.986 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.134 -2.200 -7.330 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.632 -2.528 -8.869 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.644 -1.233 -9.516 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.155 -1.553 -7.695 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.123 1.932 -10.109 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.547 0.443 -8.619 1.00 1.64 H new ATOM 634 N THR A 41 1.751 -2.807 -5.803 1.00 0.41 N ATOM 635 CA THR A 41 2.649 -3.134 -4.712 1.00 0.45 C ATOM 636 C THR A 41 3.778 -4.026 -5.218 1.00 0.54 C ATOM 637 O THR A 41 3.537 -5.016 -5.911 1.00 0.73 O ATOM 638 CB THR A 41 1.905 -3.853 -3.564 1.00 0.48 C ATOM 639 OG1 THR A 41 0.615 -3.260 -3.371 1.00 0.48 O ATOM 640 CG2 THR A 41 2.702 -3.774 -2.267 1.00 0.55 C ATOM 0 H THR A 41 1.300 -3.616 -6.230 1.00 0.41 H new ATOM 0 HA THR A 41 3.057 -2.200 -4.326 1.00 0.45 H new ATOM 0 HB THR A 41 1.788 -4.902 -3.837 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.028 -3.504 -4.117 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.158 -4.287 -1.474 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.673 -4.249 -2.407 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.846 -2.729 -1.991 1.00 0.55 H new ATOM 648 N GLY A 42 5.006 -3.655 -4.904 1.00 0.55 N ATOM 649 CA GLY A 42 6.140 -4.442 -5.330 1.00 0.66 C ATOM 650 C GLY A 42 7.195 -4.529 -4.259 1.00 0.64 C ATOM 651 O GLY A 42 7.924 -3.574 -4.019 1.00 0.70 O ATOM 0 H GLY A 42 5.238 -2.823 -4.362 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.807 -5.446 -5.594 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.571 -4.002 -6.229 1.00 0.66 H new ATOM 655 N VAL A 43 7.263 -5.673 -3.604 1.00 0.67 N ATOM 656 CA VAL A 43 8.226 -5.893 -2.542 1.00 0.71 C ATOM 657 C VAL A 43 9.177 -7.025 -2.917 1.00 0.74 C ATOM 658 O VAL A 43 8.863 -7.843 -3.785 1.00 0.82 O ATOM 659 CB VAL A 43 7.522 -6.236 -1.209 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.481 -6.116 -0.039 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.313 -5.341 -0.988 1.00 0.80 C ATOM 0 H VAL A 43 6.656 -6.471 -3.792 1.00 0.67 H new ATOM 0 HA VAL A 43 8.790 -4.969 -2.410 1.00 0.71 H new ATOM 0 HB VAL A 43 7.183 -7.270 -1.272 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.959 -6.363 0.886 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.315 -6.804 -0.180 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.859 -5.095 0.019 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.835 -5.602 -0.044 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.632 -4.299 -0.957 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.604 -5.479 -1.804 1.00 0.80 H new ATOM 671 N SER A 44 10.335 -7.060 -2.267 1.00 0.82 N ATOM 672 CA SER A 44 11.337 -8.084 -2.515 1.00 0.90 C ATOM 673 C SER A 44 10.787 -9.474 -2.203 1.00 1.01 C ATOM 674 O SER A 44 10.231 -9.709 -1.127 1.00 1.32 O ATOM 675 CB SER A 44 12.574 -7.795 -1.663 1.00 1.27 C ATOM 676 OG SER A 44 12.557 -6.454 -1.196 1.00 1.83 O ATOM 0 H SER A 44 10.603 -6.380 -1.555 1.00 0.82 H new ATOM 0 HA SER A 44 11.609 -8.065 -3.570 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.607 -8.480 -0.816 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.476 -7.970 -2.250 1.00 1.27 H new ATOM 0 HG SER A 44 12.417 -5.846 -1.952 1.00 1.83 H new ATOM 759 N GLY A 51 8.989 -7.957 6.266 1.00 1.01 N ATOM 760 CA GLY A 51 9.234 -6.779 7.069 1.00 1.11 C ATOM 761 C GLY A 51 9.222 -5.512 6.243 1.00 0.88 C ATOM 762 O GLY A 51 8.503 -4.569 6.559 1.00 0.86 O ATOM 0 HA2 GLY A 51 8.476 -6.709 7.849 1.00 1.11 H new ATOM 0 HA3 GLY A 51 10.198 -6.876 7.569 1.00 1.11 H new ATOM 766 N VAL A 52 10.009 -5.501 5.169 1.00 0.80 N ATOM 767 CA VAL A 52 10.105 -4.339 4.284 1.00 0.68 C ATOM 768 C VAL A 52 8.742 -3.966 3.702 1.00 0.58 C ATOM 769 O VAL A 52 8.321 -2.809 3.766 1.00 0.56 O ATOM 770 CB VAL A 52 11.099 -4.596 3.128 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.293 -3.339 2.292 1.00 0.91 C ATOM 772 CG2 VAL A 52 12.433 -5.097 3.670 1.00 1.14 C ATOM 0 H VAL A 52 10.593 -6.288 4.888 1.00 0.80 H new ATOM 0 HA VAL A 52 10.469 -3.510 4.891 1.00 0.68 H new ATOM 0 HB VAL A 52 10.680 -5.369 2.483 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.996 -3.544 1.485 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.336 -3.031 1.870 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.686 -2.540 2.921 1.00 0.91 H new ATOM 0 HG21 VAL A 52 13.120 -5.272 2.842 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.857 -4.350 4.341 1.00 1.14 H new ATOM 0 HG23 VAL A 52 12.278 -6.028 4.216 1.00 1.14 H new ATOM 782 N GLY A 53 8.050 -4.956 3.156 1.00 0.59 N ATOM 783 CA GLY A 53 6.743 -4.719 2.570 1.00 0.58 C ATOM 784 C GLY A 53 5.724 -4.244 3.584 1.00 0.51 C ATOM 785 O GLY A 53 4.939 -3.334 3.311 1.00 0.50 O ATOM 0 H GLY A 53 8.371 -5.923 3.108 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.834 -3.976 1.778 1.00 0.58 H new ATOM 0 HA3 GLY A 53 6.386 -5.638 2.106 1.00 0.58 H new ATOM 789 N LYS A 54 5.751 -4.847 4.762 1.00 0.52 N ATOM 790 CA LYS A 54 4.825 -4.484 5.823 1.00 0.50 C ATOM 791 C LYS A 54 5.145 -3.082 6.342 1.00 0.48 C ATOM 792 O LYS A 54 4.261 -2.364 6.812 1.00 0.48 O ATOM 793 CB LYS A 54 4.881 -5.517 6.953 1.00 0.59 C ATOM 794 CG LYS A 54 4.536 -6.932 6.501 1.00 0.75 C ATOM 795 CD LYS A 54 4.379 -7.882 7.680 1.00 1.08 C ATOM 796 CE LYS A 54 4.584 -9.328 7.259 1.00 1.49 C ATOM 797 NZ LYS A 54 4.761 -10.235 8.426 1.00 2.02 N ATOM 0 H LYS A 54 6.405 -5.591 5.008 1.00 0.52 H new ATOM 0 HA LYS A 54 3.811 -4.476 5.424 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.881 -5.516 7.386 1.00 0.59 H new ATOM 0 HB3 LYS A 54 4.192 -5.218 7.742 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.611 -6.914 5.924 1.00 0.75 H new ATOM 0 HG3 LYS A 54 5.318 -7.302 5.838 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.098 -7.622 8.457 1.00 1.08 H new ATOM 0 HD3 LYS A 54 3.386 -7.765 8.113 1.00 1.08 H new ATOM 0 HE2 LYS A 54 3.727 -9.658 6.671 1.00 1.49 H new ATOM 0 HE3 LYS A 54 5.459 -9.396 6.613 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 4.897 -11.210 8.090 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 5.594 -9.938 8.974 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 3.916 -10.192 9.030 1.00 2.02 H new ATOM 811 N LYS A 55 6.415 -2.697 6.238 1.00 0.51 N ATOM 812 CA LYS A 55 6.867 -1.381 6.673 1.00 0.54 C ATOM 813 C LYS A 55 6.300 -0.298 5.758 1.00 0.47 C ATOM 814 O LYS A 55 5.894 0.772 6.216 1.00 0.48 O ATOM 815 CB LYS A 55 8.397 -1.323 6.670 1.00 0.65 C ATOM 816 CG LYS A 55 8.972 -0.121 7.400 1.00 1.28 C ATOM 817 CD LYS A 55 10.491 -0.141 7.379 1.00 1.72 C ATOM 818 CE LYS A 55 11.080 0.932 8.281 1.00 2.30 C ATOM 819 NZ LYS A 55 12.566 0.897 8.292 1.00 2.57 N ATOM 0 H LYS A 55 7.154 -3.285 5.852 1.00 0.51 H new ATOM 0 HA LYS A 55 6.509 -1.206 7.687 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.786 -2.233 7.127 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.748 -1.310 5.638 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.611 0.797 6.936 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.620 -0.116 8.432 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.846 -1.121 7.699 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.843 0.008 6.358 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.743 1.913 7.945 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.707 0.797 9.296 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.926 1.644 8.919 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.889 -0.030 8.637 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.924 1.052 7.328 1.00 2.57 H new ATOM 833 N LEU A 56 6.268 -0.591 4.464 1.00 0.46 N ATOM 834 CA LEU A 56 5.737 0.343 3.480 1.00 0.45 C ATOM 835 C LEU A 56 4.241 0.526 3.684 1.00 0.38 C ATOM 836 O LEU A 56 3.730 1.646 3.640 1.00 0.37 O ATOM 837 CB LEU A 56 6.007 -0.157 2.062 1.00 0.54 C ATOM 838 CG LEU A 56 7.432 0.049 1.555 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.590 -0.560 0.176 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.781 1.528 1.525 1.00 0.85 C ATOM 0 H LEU A 56 6.604 -1.470 4.071 1.00 0.46 H new ATOM 0 HA LEU A 56 6.237 1.302 3.614 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.775 -1.221 2.020 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.321 0.346 1.381 1.00 0.54 H new ATOM 0 HG LEU A 56 8.118 -0.450 2.239 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.611 -0.407 -0.175 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.380 -1.628 0.224 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.894 -0.084 -0.514 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.801 1.654 1.161 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.092 2.051 0.862 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.701 1.941 2.531 1.00 0.85 H new ATOM 852 N LEU A 57 3.543 -0.587 3.907 1.00 0.37 N ATOM 853 CA LEU A 57 2.104 -0.553 4.139 1.00 0.36 C ATOM 854 C LEU A 57 1.802 0.260 5.391 1.00 0.34 C ATOM 855 O LEU A 57 0.828 1.011 5.443 1.00 0.37 O ATOM 856 CB LEU A 57 1.558 -1.976 4.289 1.00 0.43 C ATOM 857 CG LEU A 57 0.037 -2.084 4.409 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.637 -1.670 3.110 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.367 -3.497 4.795 1.00 0.71 C ATOM 0 H LEU A 57 3.952 -1.521 3.931 1.00 0.37 H new ATOM 0 HA LEU A 57 1.618 -0.083 3.284 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.881 -2.564 3.429 1.00 0.43 H new ATOM 0 HB3 LEU A 57 2.009 -2.429 5.172 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.293 -1.404 5.195 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -1.718 -1.755 3.218 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.375 -0.638 2.877 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.301 -2.320 2.302 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.452 -3.556 4.876 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.022 -4.195 4.033 1.00 0.71 H new ATOM 0 HD23 LEU A 57 0.083 -3.755 5.754 1.00 0.71 H new ATOM 871 N LYS A 58 2.669 0.114 6.386 1.00 0.36 N ATOM 872 CA LYS A 58 2.534 0.827 7.645 1.00 0.42 C ATOM 873 C LYS A 58 2.608 2.335 7.423 1.00 0.41 C ATOM 874 O LYS A 58 1.838 3.093 8.009 1.00 0.44 O ATOM 875 CB LYS A 58 3.624 0.373 8.620 1.00 0.50 C ATOM 876 CG LYS A 58 3.800 1.292 9.819 1.00 0.74 C ATOM 877 CD LYS A 58 4.617 0.630 10.915 1.00 1.10 C ATOM 878 CE LYS A 58 4.740 1.526 12.136 1.00 1.13 C ATOM 879 NZ LYS A 58 3.412 1.972 12.639 1.00 1.39 N ATOM 0 H LYS A 58 3.482 -0.500 6.341 1.00 0.36 H new ATOM 0 HA LYS A 58 1.559 0.597 8.074 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.386 -0.630 8.975 1.00 0.50 H new ATOM 0 HB3 LYS A 58 4.571 0.305 8.085 1.00 0.50 H new ATOM 0 HG2 LYS A 58 4.291 2.213 9.504 1.00 0.74 H new ATOM 0 HG3 LYS A 58 2.822 1.571 10.211 1.00 0.74 H new ATOM 0 HD2 LYS A 58 4.150 -0.313 11.200 1.00 1.10 H new ATOM 0 HD3 LYS A 58 5.611 0.391 10.536 1.00 1.10 H new ATOM 0 HE2 LYS A 58 5.265 0.990 12.927 1.00 1.13 H new ATOM 0 HE3 LYS A 58 5.344 2.398 11.886 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 3.443 2.054 13.675 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.177 2.897 12.225 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 2.687 1.277 12.368 1.00 1.39 H new ATOM 893 N ALA A 59 3.527 2.757 6.557 1.00 0.43 N ATOM 894 CA ALA A 59 3.709 4.174 6.251 1.00 0.48 C ATOM 895 C ALA A 59 2.434 4.787 5.680 1.00 0.44 C ATOM 896 O ALA A 59 2.016 5.870 6.090 1.00 0.47 O ATOM 897 CB ALA A 59 4.858 4.356 5.276 1.00 0.56 C ATOM 0 H ALA A 59 4.159 2.135 6.053 1.00 0.43 H new ATOM 0 HA ALA A 59 3.943 4.691 7.182 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.984 5.416 5.056 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.775 3.966 5.717 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.641 3.817 4.354 1.00 0.56 H new ATOM 903 N VAL A 60 1.824 4.082 4.735 1.00 0.39 N ATOM 904 CA VAL A 60 0.596 4.548 4.104 1.00 0.38 C ATOM 905 C VAL A 60 -0.521 4.683 5.134 1.00 0.37 C ATOM 906 O VAL A 60 -1.204 5.709 5.194 1.00 0.40 O ATOM 907 CB VAL A 60 0.148 3.594 2.972 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.157 4.066 2.340 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.237 3.480 1.918 1.00 0.41 C ATOM 0 H VAL A 60 2.161 3.184 4.388 1.00 0.39 H new ATOM 0 HA VAL A 60 0.803 5.526 3.670 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.026 2.610 3.407 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.448 3.376 1.548 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.939 4.097 3.099 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.019 5.063 1.921 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.909 2.806 1.127 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.439 4.464 1.495 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.146 3.088 2.375 1.00 0.41 H new ATOM 919 N VAL A 61 -0.685 3.659 5.962 1.00 0.36 N ATOM 920 CA VAL A 61 -1.722 3.669 6.988 1.00 0.40 C ATOM 921 C VAL A 61 -1.436 4.733 8.048 1.00 0.44 C ATOM 922 O VAL A 61 -2.358 5.351 8.577 1.00 0.49 O ATOM 923 CB VAL A 61 -1.862 2.290 7.663 1.00 0.43 C ATOM 924 CG1 VAL A 61 -2.975 2.306 8.698 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.123 1.212 6.625 1.00 0.43 C ATOM 0 H VAL A 61 -0.115 2.813 5.944 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.662 3.908 6.490 1.00 0.40 H new ATOM 0 HB VAL A 61 -0.924 2.065 8.171 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.055 1.323 9.161 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -2.750 3.050 9.462 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -3.919 2.557 8.214 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.219 0.246 7.120 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.045 1.438 6.089 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.293 1.177 5.920 1.00 0.43 H new ATOM 935 N GLU A 62 -0.158 4.944 8.346 1.00 0.47 N ATOM 936 CA GLU A 62 0.255 5.940 9.329 1.00 0.54 C ATOM 937 C GLU A 62 -0.274 7.316 8.936 1.00 0.55 C ATOM 938 O GLU A 62 -0.958 7.981 9.720 1.00 0.61 O ATOM 939 CB GLU A 62 1.781 5.976 9.435 1.00 0.61 C ATOM 940 CG GLU A 62 2.292 6.414 10.798 1.00 1.05 C ATOM 941 CD GLU A 62 2.299 5.287 11.810 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.316 4.568 11.901 1.00 1.53 O ATOM 943 OE2 GLU A 62 1.296 5.122 12.538 1.00 1.76 O ATOM 0 H GLU A 62 0.615 4.435 7.917 1.00 0.47 H new ATOM 0 HA GLU A 62 -0.159 5.667 10.300 1.00 0.54 H new ATOM 0 HB2 GLU A 62 2.175 4.985 9.211 1.00 0.61 H new ATOM 0 HB3 GLU A 62 2.173 6.653 8.676 1.00 0.61 H new ATOM 0 HG2 GLU A 62 3.303 6.809 10.693 1.00 1.05 H new ATOM 0 HG3 GLU A 62 1.669 7.227 11.171 1.00 1.05 H new ATOM 950 N HIS A 63 0.021 7.724 7.704 1.00 0.54 N ATOM 951 CA HIS A 63 -0.432 9.014 7.190 1.00 0.61 C ATOM 952 C HIS A 63 -1.954 9.028 7.084 1.00 0.61 C ATOM 953 O HIS A 63 -2.594 10.075 7.212 1.00 0.69 O ATOM 954 CB HIS A 63 0.205 9.297 5.825 1.00 0.67 C ATOM 955 CG HIS A 63 0.062 10.719 5.377 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.324 11.796 6.194 1.00 0.85 N ATOM 957 CD2 HIS A 63 -0.309 11.236 4.183 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.116 12.915 5.523 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.266 12.602 4.300 1.00 1.04 N ATOM 0 H HIS A 63 0.573 7.179 7.042 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.123 9.798 7.882 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.264 9.044 5.869 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.248 8.643 5.080 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.631 11.739 7.165 1.00 0.85 H new ATOM 0 HD2 HIS A 63 -0.587 10.677 3.302 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.238 13.916 5.910 1.00 0.97 H new ATOM 968 N ALA A 64 -2.525 7.853 6.869 1.00 0.56 N ATOM 969 CA ALA A 64 -3.968 7.710 6.762 1.00 0.62 C ATOM 970 C ALA A 64 -4.633 7.967 8.107 1.00 0.70 C ATOM 971 O ALA A 64 -5.776 8.401 8.164 1.00 0.85 O ATOM 972 CB ALA A 64 -4.334 6.330 6.244 1.00 0.61 C ATOM 0 H ALA A 64 -2.007 6.980 6.765 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.331 8.451 6.050 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.418 6.244 6.172 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.892 6.182 5.259 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -3.955 5.572 6.929 1.00 0.61 H new ATOM 978 N ARG A 65 -3.908 7.699 9.185 1.00 0.69 N ATOM 979 CA ARG A 65 -4.420 7.922 10.531 1.00 0.82 C ATOM 980 C ARG A 65 -4.385 9.407 10.865 1.00 0.85 C ATOM 981 O ARG A 65 -5.231 9.912 11.604 1.00 0.96 O ATOM 982 CB ARG A 65 -3.587 7.155 11.560 1.00 0.89 C ATOM 983 CG ARG A 65 -3.651 5.646 11.409 1.00 1.36 C ATOM 984 CD ARG A 65 -4.987 5.092 11.871 1.00 1.44 C ATOM 985 NE ARG A 65 -4.903 3.663 12.156 1.00 2.20 N ATOM 986 CZ ARG A 65 -5.877 2.947 12.709 1.00 2.25 C ATOM 987 NH1 ARG A 65 -7.027 3.519 13.045 1.00 1.87 N ATOM 988 NH2 ARG A 65 -5.689 1.655 12.940 1.00 3.12 N ATOM 0 H ARG A 65 -2.959 7.325 9.153 1.00 0.69 H new ATOM 0 HA ARG A 65 -5.448 7.563 10.567 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -2.548 7.474 11.480 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.927 7.424 12.560 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -3.487 5.377 10.365 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -2.848 5.188 11.986 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -5.313 5.624 12.765 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.740 5.267 11.103 1.00 1.44 H new ATOM 0 HE ARG A 65 -4.037 3.181 11.914 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -7.169 4.515 12.879 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -7.769 2.962 13.469 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -4.801 1.217 12.694 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -6.432 1.099 13.364 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.391 10.096 10.317 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.221 11.524 10.548 1.00 0.88 C ATOM 1004 C GLU A 66 -4.355 12.326 9.924 1.00 0.89 C ATOM 1005 O GLU A 66 -4.988 13.144 10.587 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.893 12.011 9.962 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.675 11.268 10.482 1.00 1.05 C ATOM 1008 CD GLU A 66 0.611 11.763 9.852 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.908 11.366 8.708 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.331 12.554 10.497 1.00 1.38 O ATOM 0 H GLU A 66 -2.686 9.684 9.705 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.228 11.678 11.627 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.929 11.912 8.877 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.779 13.072 10.182 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.615 11.384 11.564 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -0.789 10.203 10.282 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.613 12.075 8.647 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.645 12.813 7.919 1.00 0.87 C ATOM 1019 C ASN A 67 -6.995 12.110 7.965 1.00 0.89 C ATOM 1020 O ASN A 67 -8.008 12.692 7.580 1.00 0.97 O ATOM 1021 CB ASN A 67 -5.231 13.009 6.457 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.780 13.421 6.292 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.092 12.943 5.393 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -3.307 14.313 7.147 1.00 1.09 N ATOM 0 H ASN A 67 -4.126 11.370 8.093 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.748 13.780 8.411 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -5.402 12.081 5.911 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.870 13.767 6.005 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -2.339 14.627 7.073 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -3.910 14.687 7.880 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.003 10.869 8.441 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.230 10.067 8.518 1.00 0.94 C ATOM 1033 C ASN A 68 -8.812 9.875 7.122 1.00 0.87 C ATOM 1034 O ASN A 68 -9.914 10.337 6.821 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.270 10.712 9.442 1.00 1.10 C ATOM 1036 CG ASN A 68 -8.829 10.746 10.892 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -8.895 9.738 11.596 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -8.391 11.907 11.353 1.00 2.18 N ATOM 0 H ASN A 68 -6.170 10.390 8.783 1.00 0.88 H new ATOM 0 HA ASN A 68 -7.971 9.096 8.940 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.468 11.729 9.104 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.208 10.162 9.365 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -8.092 11.990 12.325 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -8.352 12.719 10.736 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.055 9.193 6.274 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.463 8.946 4.893 1.00 0.73 C ATOM 1047 C LEU A 69 -8.917 7.505 4.700 1.00 0.70 C ATOM 1048 O LEU A 69 -8.676 6.647 5.550 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.298 9.232 3.938 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.628 10.594 4.109 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.184 10.536 3.637 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.387 11.664 3.344 1.00 0.77 C ATOM 0 H LEU A 69 -7.147 8.797 6.518 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.298 9.611 4.673 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.544 8.456 4.070 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.662 9.152 2.914 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.641 10.852 5.168 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.720 11.514 3.765 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.639 9.796 4.223 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -5.156 10.256 2.584 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.894 12.627 3.479 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.404 11.410 2.284 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.409 11.724 3.719 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.577 7.250 3.580 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.041 5.912 3.254 1.00 0.70 C ATOM 1066 C LYS A 70 -8.960 5.185 2.469 1.00 0.62 C ATOM 1067 O LYS A 70 -8.382 5.745 1.534 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.330 5.959 2.434 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.478 6.679 3.123 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.773 6.508 2.348 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.846 7.484 2.805 1.00 1.93 C ATOM 1072 NZ LYS A 70 -16.069 7.380 1.966 1.00 3.05 N ATOM 0 H LYS A 70 -9.803 7.956 2.880 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.250 5.381 4.183 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.125 6.451 1.483 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.640 4.939 2.205 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.601 6.290 4.134 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.243 7.739 3.216 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -13.581 6.653 1.285 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.136 5.487 2.470 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -15.100 7.286 3.846 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -14.457 8.501 2.759 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -16.734 8.136 2.226 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.811 7.475 0.963 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.519 6.455 2.121 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.687 3.948 2.850 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.659 3.163 2.190 1.00 0.57 C ATOM 1088 C ILE A 71 -8.256 2.030 1.366 1.00 0.56 C ATOM 1089 O ILE A 71 -9.000 1.193 1.883 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.659 2.565 3.208 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.967 3.675 4.002 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.626 1.688 2.510 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.132 4.604 3.147 1.00 0.86 C ATOM 0 H ILE A 71 -9.163 3.467 3.613 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.132 3.848 1.526 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.222 1.941 3.902 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -6.723 4.259 4.527 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -5.329 3.223 4.762 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -4.936 1.281 3.249 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.131 0.870 1.995 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.072 2.285 1.786 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.672 5.365 3.778 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.353 4.032 2.642 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -5.768 5.085 2.404 1.00 0.86 H new ATOM 1105 N ILE A 72 -7.945 2.036 0.080 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.387 0.995 -0.831 1.00 0.54 C ATOM 1107 C ILE A 72 -7.192 0.541 -1.657 1.00 0.50 C ATOM 1108 O ILE A 72 -6.305 1.339 -1.952 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.534 1.444 -1.773 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.332 2.894 -2.253 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -10.886 1.268 -1.088 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.045 3.941 -1.416 1.00 0.99 C ATOM 0 H ILE A 72 -7.380 2.762 -0.360 1.00 0.53 H new ATOM 0 HA ILE A 72 -8.790 0.180 -0.229 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.516 0.807 -2.657 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -8.265 3.116 -2.258 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.679 2.974 -3.283 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.680 1.588 -1.763 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.029 0.219 -0.830 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -10.916 1.872 -0.181 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.847 4.931 -1.826 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -11.118 3.750 -1.431 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -9.682 3.895 -0.389 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.146 -0.726 -2.014 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.028 -1.244 -2.785 1.00 0.43 C ATOM 1126 C ALA A 73 -6.490 -1.929 -4.064 1.00 0.43 C ATOM 1127 O ALA A 73 -7.491 -2.648 -4.072 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.211 -2.205 -1.938 1.00 0.50 C ATOM 0 H ALA A 73 -7.863 -1.414 -1.786 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.405 -0.398 -3.074 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.376 -2.587 -2.525 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -4.829 -1.683 -1.061 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -5.841 -3.035 -1.620 1.00 0.50 H new ATOM 1134 N SER A 74 -5.764 -1.686 -5.143 1.00 0.48 N ATOM 1135 CA SER A 74 -6.077 -2.291 -6.424 1.00 0.53 C ATOM 1136 C SER A 74 -5.443 -3.674 -6.504 1.00 0.46 C ATOM 1137 O SER A 74 -6.013 -4.608 -7.067 1.00 0.55 O ATOM 1138 CB SER A 74 -5.565 -1.398 -7.554 1.00 0.69 C ATOM 1139 OG SER A 74 -5.837 -0.032 -7.279 1.00 0.94 O ATOM 0 H SER A 74 -4.950 -1.071 -5.155 1.00 0.48 H new ATOM 0 HA SER A 74 -7.157 -2.395 -6.526 1.00 0.53 H new ATOM 0 HB2 SER A 74 -4.492 -1.542 -7.679 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.037 -1.686 -8.493 1.00 0.69 H new ATOM 0 HG SER A 74 -5.257 0.534 -7.830 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.262 -3.794 -5.915 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.530 -5.048 -5.902 1.00 0.48 C ATOM 1147 C CYS A 75 -4.170 -6.017 -4.914 1.00 0.45 C ATOM 1148 O CYS A 75 -4.436 -5.653 -3.767 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.074 -4.785 -5.526 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.653 -3.026 -5.429 1.00 1.31 S ATOM 0 H CYS A 75 -3.788 -3.028 -5.436 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.564 -5.497 -6.895 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -1.866 -5.253 -4.564 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.426 -5.265 -6.260 1.00 0.59 H new ATOM 0 HG CYS A 75 -2.026 -2.430 -6.522 1.00 1.31 H new ATOM 1156 N SER A 76 -4.413 -7.244 -5.358 1.00 0.57 N ATOM 1157 CA SER A 76 -5.034 -8.261 -4.518 1.00 0.64 C ATOM 1158 C SER A 76 -4.197 -8.557 -3.273 1.00 0.61 C ATOM 1159 O SER A 76 -4.742 -8.797 -2.192 1.00 0.61 O ATOM 1160 CB SER A 76 -5.246 -9.543 -5.322 1.00 0.82 C ATOM 1161 OG SER A 76 -6.013 -9.291 -6.493 1.00 1.12 O ATOM 0 H SER A 76 -4.188 -7.560 -6.301 1.00 0.57 H new ATOM 0 HA SER A 76 -5.997 -7.874 -4.185 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.280 -9.966 -5.600 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.753 -10.284 -4.704 1.00 0.82 H new ATOM 0 HG SER A 76 -6.133 -10.126 -6.991 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.877 -8.519 -3.420 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.984 -8.789 -2.303 1.00 0.62 C ATOM 1169 C PHE A 77 -2.165 -7.744 -1.207 1.00 0.55 C ATOM 1170 O PHE A 77 -2.486 -8.081 -0.066 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.527 -8.826 -2.768 1.00 0.68 C ATOM 1172 CG PHE A 77 0.363 -9.612 -1.849 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.981 -8.998 -0.774 1.00 0.77 C ATOM 1174 CD2 PHE A 77 0.592 -10.960 -2.068 1.00 0.83 C ATOM 1175 CE1 PHE A 77 1.809 -9.712 0.067 1.00 0.87 C ATOM 1176 CE2 PHE A 77 1.422 -11.680 -1.230 1.00 0.93 C ATOM 1177 CZ PHE A 77 1.987 -11.079 -0.141 1.00 0.95 C ATOM 0 H PHE A 77 -2.405 -8.305 -4.298 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.238 -9.767 -1.895 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.481 -9.259 -3.767 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.150 -7.806 -2.845 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.813 -7.947 -0.591 1.00 0.77 H new ATOM 0 HD2 PHE A 77 0.117 -11.454 -2.903 1.00 0.83 H new ATOM 0 HE1 PHE A 77 2.316 -9.215 0.881 1.00 0.87 H new ATOM 0 HE2 PHE A 77 1.625 -12.721 -1.437 1.00 0.93 H new ATOM 0 HZ PHE A 77 2.570 -11.661 0.557 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.980 -6.476 -1.566 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.128 -5.378 -0.616 1.00 0.46 C ATOM 1189 C ALA A 78 -3.537 -5.347 -0.038 1.00 0.44 C ATOM 1190 O ALA A 78 -3.730 -5.067 1.147 1.00 0.45 O ATOM 1191 CB ALA A 78 -1.802 -4.049 -1.283 1.00 0.47 C ATOM 0 H ALA A 78 -1.727 -6.184 -2.510 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.426 -5.541 0.202 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -1.918 -3.241 -0.560 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -0.775 -4.067 -1.646 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.480 -3.886 -2.121 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.516 -5.652 -0.883 1.00 0.44 N ATOM 1198 CA LYS A 79 -5.911 -5.679 -0.467 1.00 0.47 C ATOM 1199 C LYS A 79 -6.104 -6.691 0.657 1.00 0.52 C ATOM 1200 O LYS A 79 -6.779 -6.415 1.646 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.806 -6.045 -1.656 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.077 -5.211 -1.767 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.045 -5.482 -0.623 1.00 0.87 C ATOM 1204 CE LYS A 79 -9.649 -6.877 -0.699 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.639 -7.107 0.385 1.00 1.27 N ATOM 0 H LYS A 79 -4.366 -5.885 -1.865 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.188 -4.689 -0.104 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.231 -5.934 -2.576 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.082 -7.097 -1.578 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -7.815 -4.153 -1.776 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.569 -5.426 -2.716 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.524 -5.365 0.327 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.844 -4.741 -0.642 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.131 -7.012 -1.667 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -8.856 -7.621 -0.631 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -10.467 -8.036 0.821 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.544 -6.363 1.106 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.600 -7.083 -0.012 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.492 -7.859 0.505 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.604 -8.912 1.503 1.00 0.64 C ATOM 1221 C HIS A 80 -4.762 -8.593 2.739 1.00 0.60 C ATOM 1222 O HIS A 80 -5.068 -9.053 3.836 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.190 -10.262 0.911 1.00 0.77 C ATOM 1224 CG HIS A 80 -5.357 -11.410 1.864 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -6.575 -11.785 2.391 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -4.445 -12.257 2.396 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -6.403 -12.811 3.200 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -5.122 -13.118 3.223 1.00 1.13 N ATOM 0 H HIS A 80 -4.914 -8.100 -0.300 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.648 -8.971 1.810 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.782 -10.454 0.016 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.147 -10.208 0.598 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -7.469 -11.338 2.187 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -3.382 -12.256 2.205 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -7.182 -13.316 3.752 1.00 1.21 H new ATOM 1237 N MET A 81 -3.703 -7.813 2.557 1.00 0.58 N ATOM 1238 CA MET A 81 -2.835 -7.438 3.672 1.00 0.59 C ATOM 1239 C MET A 81 -3.615 -6.615 4.690 1.00 0.54 C ATOM 1240 O MET A 81 -3.563 -6.880 5.890 1.00 0.58 O ATOM 1241 CB MET A 81 -1.616 -6.653 3.180 1.00 0.64 C ATOM 1242 CG MET A 81 -0.624 -7.497 2.398 1.00 1.25 C ATOM 1243 SD MET A 81 0.868 -6.588 1.941 1.00 1.51 S ATOM 1244 CE MET A 81 1.698 -6.466 3.525 1.00 1.09 C ATOM 0 H MET A 81 -3.424 -7.429 1.654 1.00 0.58 H new ATOM 0 HA MET A 81 -2.480 -8.351 4.149 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.954 -5.829 2.551 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.108 -6.212 4.038 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.345 -8.366 2.994 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.106 -7.871 1.495 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.913 -5.420 3.744 1.00 1.09 H new ATOM 0 HE2 MET A 81 1.056 -6.875 4.305 1.00 1.09 H new ATOM 0 HE3 MET A 81 2.631 -7.028 3.491 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.351 -5.626 4.197 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.159 -4.768 5.057 1.00 0.51 C ATOM 1256 C LEU A 82 -6.380 -5.532 5.555 1.00 0.56 C ATOM 1257 O LEU A 82 -6.875 -5.299 6.656 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.595 -3.519 4.290 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.451 -2.632 3.794 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -4.804 -2.009 2.453 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.133 -1.551 4.815 1.00 0.49 C ATOM 0 H LEU A 82 -4.405 -5.398 3.204 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.561 -4.462 5.915 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.193 -3.828 3.433 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.243 -2.924 4.933 1.00 0.53 H new ATOM 0 HG LEU A 82 -3.565 -3.254 3.664 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -3.979 -1.381 2.115 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -4.984 -2.797 1.722 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -5.703 -1.401 2.559 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.317 -0.930 4.445 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.016 -0.932 4.977 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -3.838 -2.015 5.756 1.00 0.49 H new ATOM 1273 N GLU A 83 -6.843 -6.457 4.725 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.000 -7.295 5.030 1.00 0.70 C ATOM 1275 C GLU A 83 -7.684 -8.269 6.168 1.00 0.68 C ATOM 1276 O GLU A 83 -8.581 -8.755 6.861 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.377 -8.068 3.764 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.599 -8.960 3.883 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.787 -9.817 2.649 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -9.192 -10.911 2.580 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.549 -9.412 1.745 1.00 1.45 O ATOM 0 H GLU A 83 -6.425 -6.650 3.815 1.00 0.62 H new ATOM 0 HA GLU A 83 -8.831 -6.668 5.353 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.548 -7.352 2.960 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -7.527 -8.683 3.468 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -9.499 -9.600 4.759 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -10.485 -8.345 4.038 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.403 -8.540 6.357 1.00 0.67 N ATOM 1289 CA LYS A 84 -5.942 -9.464 7.384 1.00 0.69 C ATOM 1290 C LYS A 84 -5.898 -8.801 8.768 1.00 0.68 C ATOM 1291 O LYS A 84 -5.823 -9.483 9.793 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.556 -9.994 6.982 1.00 0.76 C ATOM 1293 CG LYS A 84 -3.816 -10.741 8.080 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.652 -9.925 8.617 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.284 -10.347 10.029 1.00 1.94 C ATOM 1296 NZ LYS A 84 -3.330 -9.962 11.016 1.00 2.33 N ATOM 0 H LYS A 84 -5.652 -8.127 5.804 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.646 -10.292 7.459 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.671 -10.657 6.125 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -3.942 -9.154 6.656 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.505 -10.974 8.892 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -3.448 -11.691 7.692 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -1.789 -10.046 7.963 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.913 -8.867 8.608 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.138 -11.427 10.058 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -1.335 -9.889 10.309 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -3.526 -10.766 11.646 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -2.995 -9.154 11.579 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -4.201 -9.696 10.513 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.958 -7.478 8.806 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.897 -6.766 10.075 1.00 0.96 C ATOM 1312 C GLU A 85 -7.149 -5.931 10.312 1.00 0.93 C ATOM 1313 O GLU A 85 -7.450 -5.015 9.547 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.659 -5.870 10.112 1.00 1.07 C ATOM 1315 CG GLU A 85 -4.187 -5.536 11.515 1.00 1.07 C ATOM 1316 CD GLU A 85 -3.798 -6.767 12.303 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.892 -7.502 11.856 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -4.388 -7.007 13.374 1.00 1.60 O ATOM 0 H GLU A 85 -6.048 -6.881 7.984 1.00 0.84 H new ATOM 0 HA GLU A 85 -5.835 -7.508 10.871 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.849 -6.363 9.574 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.877 -4.943 9.582 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -3.333 -4.861 11.457 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.978 -5.005 12.044 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.864 -6.239 11.389 1.00 1.07 N ATOM 1326 CA ASP A 86 -9.079 -5.505 11.738 1.00 1.10 C ATOM 1327 C ASP A 86 -8.746 -4.057 12.060 1.00 1.02 C ATOM 1328 O ASP A 86 -9.546 -3.154 11.815 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.786 -6.134 12.943 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.757 -7.227 12.554 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -10.328 -8.395 12.457 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -11.954 -6.926 12.356 1.00 2.27 O ATOM 0 H ASP A 86 -7.625 -6.991 12.036 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.746 -5.550 10.877 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.039 -6.544 13.622 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -10.321 -5.357 13.489 1.00 1.36 H new ATOM 1337 N SER A 87 -7.556 -3.850 12.612 1.00 1.05 N ATOM 1338 CA SER A 87 -7.095 -2.518 12.974 1.00 1.08 C ATOM 1339 C SER A 87 -6.977 -1.627 11.739 1.00 0.93 C ATOM 1340 O SER A 87 -7.277 -0.436 11.791 1.00 0.97 O ATOM 1341 CB SER A 87 -5.745 -2.615 13.683 1.00 1.27 C ATOM 1342 OG SER A 87 -5.706 -3.731 14.560 1.00 1.46 O ATOM 0 H SER A 87 -6.890 -4.594 12.819 1.00 1.05 H new ATOM 0 HA SER A 87 -7.826 -2.069 13.647 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.948 -2.701 12.944 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.560 -1.700 14.246 1.00 1.27 H new ATOM 0 HG SER A 87 -4.831 -3.771 15.000 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.563 -2.219 10.622 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.398 -1.478 9.378 1.00 0.88 C ATOM 1350 C TYR A 88 -7.749 -1.119 8.769 1.00 0.89 C ATOM 1351 O TYR A 88 -7.855 -0.152 8.016 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.572 -2.282 8.370 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.073 -2.258 8.624 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.475 -1.174 9.259 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.257 -3.319 8.239 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.114 -1.150 9.502 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.897 -3.299 8.482 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.325 -2.214 9.068 1.00 0.93 C ATOM 1359 OH TYR A 88 0.024 -2.196 9.355 1.00 1.00 O ATOM 0 H TYR A 88 -6.336 -3.211 10.554 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.867 -0.556 9.614 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.914 -3.317 8.382 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.765 -1.895 7.370 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.084 -0.337 9.567 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.695 -4.172 7.742 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.667 -0.316 10.022 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -1.287 -4.147 8.206 1.00 0.97 H new ATOM 0 HH TYR A 88 0.447 -3.002 8.992 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.780 -1.881 9.127 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.129 -1.657 8.610 1.00 1.18 C ATOM 1371 C GLN A 89 -10.710 -0.329 9.087 1.00 1.16 C ATOM 1372 O GLN A 89 -11.784 0.080 8.648 1.00 1.26 O ATOM 1373 CB GLN A 89 -11.049 -2.808 9.009 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.769 -4.093 8.250 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.625 -5.249 8.718 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -11.990 -5.238 9.987 1.00 2.42 O flip ATOM 1377 NE2 GLN A 89 -11.955 -6.144 7.943 1.00 2.33 N flip ATOM 0 H GLN A 89 -8.706 -2.664 9.777 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.058 -1.614 7.523 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.943 -2.995 10.078 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -12.084 -2.512 8.839 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.941 -3.926 7.187 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.717 -4.356 8.365 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -11.651 -6.114 6.970 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -12.533 -6.917 8.273 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.008 0.333 9.999 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.446 1.630 10.500 1.00 1.17 C ATOM 1388 C ASP A 90 -10.443 2.630 9.354 1.00 1.09 C ATOM 1389 O ASP A 90 -11.376 3.419 9.185 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.512 2.140 11.599 1.00 1.18 C ATOM 1391 CG ASP A 90 -9.734 1.483 12.946 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -10.648 0.645 13.074 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -8.984 1.809 13.891 1.00 2.03 O ATOM 0 H ASP A 90 -9.136 -0.006 10.406 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.448 1.519 10.916 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -8.480 1.975 11.291 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.645 3.217 11.704 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.380 2.576 8.562 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.220 3.459 7.421 1.00 0.79 C ATOM 1400 C VAL A 91 -9.482 2.703 6.120 1.00 0.73 C ATOM 1401 O VAL A 91 -10.071 3.244 5.183 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.812 4.097 7.386 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.680 5.154 8.470 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.728 3.040 7.542 1.00 0.78 C ATOM 0 H VAL A 91 -8.609 1.921 8.694 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.951 4.261 7.524 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.683 4.574 6.414 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.683 5.593 8.431 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.426 5.933 8.311 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.837 4.695 9.446 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.748 3.517 7.514 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.855 2.527 8.495 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.804 2.318 6.729 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.059 1.442 6.080 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.248 0.600 4.909 1.00 0.71 C ATOM 1416 C TYR A 92 -10.701 0.140 4.834 1.00 0.80 C ATOM 1417 O TYR A 92 -11.290 -0.259 5.839 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.282 -0.596 4.962 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.782 -1.853 4.282 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.798 -1.950 2.897 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.242 -2.938 5.021 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.256 -3.088 2.266 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.699 -4.082 4.395 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.699 -4.173 3.052 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.152 -5.291 2.387 1.00 1.14 O ATOM 0 H TYR A 92 -8.580 0.981 6.853 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.026 1.171 4.007 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.339 -0.303 4.501 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.069 -0.826 6.006 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.446 -1.120 2.303 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.242 -2.886 6.100 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.275 -3.148 1.188 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.059 -4.910 4.988 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.428 -5.969 3.038 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.276 0.205 3.641 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.664 -0.183 3.440 1.00 0.84 C ATOM 1437 C LEU A 93 -12.813 -1.700 3.414 1.00 1.05 C ATOM 1438 O LEU A 93 -12.863 -2.322 2.351 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.210 0.437 2.150 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.096 1.963 2.064 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.831 2.484 0.840 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.637 2.611 3.330 1.00 1.42 C ATOM 0 H LEU A 93 -10.801 0.524 2.796 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.246 0.194 4.281 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.681 0.000 1.303 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.259 0.160 2.048 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.042 2.225 1.969 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.739 3.569 0.795 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.397 2.046 -0.059 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.884 2.211 0.905 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.548 3.694 3.251 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.685 2.342 3.457 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.066 2.262 4.190 1.00 1.42 H new