USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=20 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 41 THR OG1 : rot 85:sc= 1.42 USER MOD Set 1.2: A 75 CYS SG : rot 120:sc= 0.0378 USER MOD Set 2.1: A 37 ASN : amide:sc= 1.01 K(o=1.9,f=0.24) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0.882 USER MOD Set 3.1: A 27 THR OG1 : rot 165:sc= 0.568 USER MOD Set 3.2: A 40 HIS : +bothHN:sc= 2.23 K(o=2.8,f=-9.4!) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.14) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -77:sc= 1.29 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 21 ASN : amide:sc= 1.08 K(o=1.1,f=-0.94) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.724 K(o=0.72,f=-0.39) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.12 F(o=-1.8!,f=-0.12) USER MOD Single : A 44 SER OG : rot 180:sc= 0 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+ -149:sc= 1.3 (180deg=0.153!) USER MOD Single : A 63 HIS : no HE2:sc= 1.01 K(o=1,f=-5.6!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.16) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 79 LYS NZ :NH3+ 137:sc= 1.26 (180deg=1.04) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -174:sc= -0.507 (180deg=-0.598) USER MOD Single : A 84 LYS NZ :NH3+ -156:sc= 1.27 (180deg=1.21) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00728 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0578 X(o=-0.058,f=0.43) USER MOD Single : A 92 TYR OH : rot 30:sc= -0.165 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 15.548 2.974 4.661 1.00 1.13 N ATOM 65 CA GLU A 5 14.697 4.108 4.972 1.00 1.19 C ATOM 66 C GLU A 5 13.626 4.260 3.900 1.00 1.05 C ATOM 67 O GLU A 5 13.846 3.911 2.737 1.00 1.01 O ATOM 68 CB GLU A 5 15.524 5.392 5.078 1.00 1.48 C ATOM 69 CG GLU A 5 16.300 5.513 6.381 1.00 1.61 C ATOM 70 CD GLU A 5 15.392 5.577 7.593 1.00 2.22 C ATOM 71 OE1 GLU A 5 14.824 6.656 7.864 1.00 2.57 O ATOM 72 OE2 GLU A 5 15.242 4.546 8.284 1.00 2.91 O ATOM 0 HA GLU A 5 14.217 3.930 5.934 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.224 5.433 4.243 1.00 1.48 H new ATOM 0 HB3 GLU A 5 14.860 6.251 4.980 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.973 4.661 6.480 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.921 6.408 6.349 1.00 1.61 H new ATOM 79 N ILE A 6 12.473 4.777 4.295 1.00 1.00 N ATOM 80 CA ILE A 6 11.366 4.971 3.372 1.00 0.88 C ATOM 81 C ILE A 6 11.607 6.194 2.497 1.00 0.86 C ATOM 82 O ILE A 6 11.479 7.332 2.955 1.00 0.90 O ATOM 83 CB ILE A 6 10.028 5.142 4.123 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.808 3.972 5.087 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.872 5.243 3.139 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.747 4.233 6.134 1.00 0.92 C ATOM 0 H ILE A 6 12.279 5.071 5.252 1.00 1.00 H new ATOM 0 HA ILE A 6 11.306 4.080 2.748 1.00 0.88 H new ATOM 0 HB ILE A 6 10.070 6.066 4.699 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.529 3.088 4.513 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.749 3.743 5.587 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.937 5.363 3.687 1.00 0.79 H new ATOM 0 HG22 ILE A 6 9.023 6.103 2.487 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.826 4.335 2.537 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.649 3.359 6.778 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.033 5.097 6.734 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.794 4.431 5.644 1.00 0.92 H new ATOM 98 N LYS A 7 11.980 5.952 1.254 1.00 0.86 N ATOM 99 CA LYS A 7 12.221 7.026 0.313 1.00 0.89 C ATOM 100 C LYS A 7 10.916 7.386 -0.384 1.00 0.79 C ATOM 101 O LYS A 7 10.307 6.553 -1.061 1.00 0.74 O ATOM 102 CB LYS A 7 13.296 6.618 -0.695 1.00 0.99 C ATOM 103 CG LYS A 7 14.662 6.411 -0.052 1.00 1.10 C ATOM 104 CD LYS A 7 15.674 5.813 -1.017 1.00 1.61 C ATOM 105 CE LYS A 7 17.067 5.789 -0.403 1.00 1.77 C ATOM 106 NZ LYS A 7 18.015 4.960 -1.195 1.00 2.23 N ATOM 0 H LYS A 7 12.123 5.017 0.873 1.00 0.86 H new ATOM 0 HA LYS A 7 12.586 7.905 0.845 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.990 5.697 -1.192 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.375 7.385 -1.465 1.00 0.99 H new ATOM 0 HG2 LYS A 7 15.036 7.367 0.316 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.558 5.756 0.813 1.00 1.10 H new ATOM 0 HD2 LYS A 7 15.373 4.800 -1.283 1.00 1.61 H new ATOM 0 HD3 LYS A 7 15.689 6.394 -1.939 1.00 1.61 H new ATOM 0 HE2 LYS A 7 17.449 6.807 -0.332 1.00 1.77 H new ATOM 0 HE3 LYS A 7 17.008 5.400 0.613 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 18.921 4.889 -0.689 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.617 4.008 -1.328 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 18.171 5.402 -2.123 1.00 2.23 H new ATOM 120 N GLN A 8 10.480 8.620 -0.191 1.00 0.81 N ATOM 121 CA GLN A 8 9.230 9.090 -0.765 1.00 0.78 C ATOM 122 C GLN A 8 9.421 9.670 -2.163 1.00 0.90 C ATOM 123 O GLN A 8 10.223 10.582 -2.373 1.00 1.15 O ATOM 124 CB GLN A 8 8.587 10.136 0.152 1.00 0.93 C ATOM 125 CG GLN A 8 7.354 10.799 -0.446 1.00 1.29 C ATOM 126 CD GLN A 8 6.540 11.555 0.583 1.00 1.76 C ATOM 127 OE1 GLN A 8 7.064 12.008 1.603 1.00 2.52 O ATOM 128 NE2 GLN A 8 5.254 11.710 0.319 1.00 1.94 N ATOM 0 H GLN A 8 10.977 9.318 0.362 1.00 0.81 H new ATOM 0 HA GLN A 8 8.570 8.227 -0.855 1.00 0.78 H new ATOM 0 HB2 GLN A 8 8.312 9.661 1.094 1.00 0.93 H new ATOM 0 HB3 GLN A 8 9.324 10.904 0.385 1.00 0.93 H new ATOM 0 HG2 GLN A 8 7.662 11.485 -1.235 1.00 1.29 H new ATOM 0 HG3 GLN A 8 6.727 10.038 -0.912 1.00 1.29 H new ATOM 0 HE21 GLN A 8 4.858 11.320 -0.536 1.00 1.94 H new ATOM 0 HE22 GLN A 8 4.657 12.220 0.971 1.00 1.94 H new ATOM 137 N GLY A 9 8.680 9.120 -3.110 1.00 0.87 N ATOM 138 CA GLY A 9 8.717 9.596 -4.475 1.00 1.04 C ATOM 139 C GLY A 9 7.392 10.233 -4.822 1.00 0.71 C ATOM 140 O GLY A 9 6.543 10.386 -3.945 1.00 0.83 O ATOM 0 H GLY A 9 8.043 8.339 -2.953 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.523 10.319 -4.598 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.924 8.769 -5.154 1.00 1.04 H new ATOM 144 N GLU A 10 7.191 10.601 -6.075 1.00 1.04 N ATOM 145 CA GLU A 10 5.933 11.218 -6.471 1.00 0.82 C ATOM 146 C GLU A 10 4.785 10.221 -6.387 1.00 0.70 C ATOM 147 O GLU A 10 4.625 9.362 -7.258 1.00 0.72 O ATOM 148 CB GLU A 10 6.030 11.809 -7.874 1.00 0.79 C ATOM 149 CG GLU A 10 6.570 13.230 -7.885 1.00 1.82 C ATOM 150 CD GLU A 10 5.771 14.165 -6.994 1.00 2.48 C ATOM 151 OE1 GLU A 10 6.013 14.180 -5.769 1.00 3.19 O ATOM 152 OE2 GLU A 10 4.893 14.885 -7.512 1.00 2.65 O ATOM 0 H GLU A 10 7.870 10.487 -6.827 1.00 1.04 H new ATOM 0 HA GLU A 10 5.729 12.031 -5.774 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.675 11.177 -8.485 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.043 11.798 -8.336 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.610 13.222 -7.558 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.560 13.611 -8.906 1.00 1.82 H new ATOM 159 N ASN A 11 4.016 10.335 -5.305 1.00 0.63 N ATOM 160 CA ASN A 11 2.861 9.476 -5.048 1.00 0.59 C ATOM 161 C ASN A 11 3.278 8.021 -4.883 1.00 0.47 C ATOM 162 O ASN A 11 2.583 7.108 -5.338 1.00 0.44 O ATOM 163 CB ASN A 11 1.813 9.604 -6.160 1.00 0.71 C ATOM 164 CG ASN A 11 0.917 10.811 -5.976 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.038 10.823 -5.114 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.119 11.830 -6.796 1.00 1.38 N ATOM 0 H ASN A 11 4.178 11.031 -4.577 1.00 0.63 H new ATOM 0 HA ASN A 11 2.412 9.812 -4.113 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.317 9.673 -7.124 1.00 0.71 H new ATOM 0 HB3 ASN A 11 1.202 8.702 -6.184 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.536 12.664 -6.727 1.00 1.38 H new ATOM 0 HD22 ASN A 11 1.858 11.782 -7.497 1.00 1.38 H new ATOM 173 N LYS A 12 4.409 7.799 -4.223 1.00 0.45 N ATOM 174 CA LYS A 12 4.896 6.445 -4.004 1.00 0.43 C ATOM 175 C LYS A 12 5.948 6.404 -2.903 1.00 0.46 C ATOM 176 O LYS A 12 6.623 7.395 -2.637 1.00 0.55 O ATOM 177 CB LYS A 12 5.485 5.874 -5.298 1.00 0.50 C ATOM 178 CG LYS A 12 6.799 6.513 -5.718 1.00 0.65 C ATOM 179 CD LYS A 12 7.367 5.843 -6.955 1.00 0.59 C ATOM 180 CE LYS A 12 8.734 6.398 -7.311 1.00 0.73 C ATOM 181 NZ LYS A 12 9.276 5.781 -8.547 1.00 0.94 N ATOM 0 H LYS A 12 5.001 8.533 -3.834 1.00 0.45 H new ATOM 0 HA LYS A 12 4.047 5.837 -3.692 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.639 4.802 -5.172 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.759 6.000 -6.101 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.643 7.574 -5.915 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.517 6.443 -4.901 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.442 4.769 -6.786 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.685 5.987 -7.793 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.664 7.478 -7.444 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.423 6.223 -6.485 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.211 6.186 -8.756 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.367 4.754 -8.411 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.631 5.970 -9.341 1.00 0.94 H new ATOM 195 N PHE A 13 6.062 5.253 -2.263 1.00 0.46 N ATOM 196 CA PHE A 13 7.043 5.039 -1.209 1.00 0.50 C ATOM 197 C PHE A 13 7.855 3.802 -1.555 1.00 0.50 C ATOM 198 O PHE A 13 7.282 2.752 -1.849 1.00 0.46 O ATOM 199 CB PHE A 13 6.362 4.835 0.150 1.00 0.51 C ATOM 200 CG PHE A 13 5.657 6.049 0.693 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.371 7.172 1.079 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.278 6.056 0.833 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.720 8.281 1.589 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.625 7.161 1.346 1.00 0.59 C ATOM 205 CZ PHE A 13 4.346 8.274 1.723 1.00 0.65 C ATOM 0 H PHE A 13 5.478 4.440 -2.458 1.00 0.46 H new ATOM 0 HA PHE A 13 7.684 5.918 -1.137 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.640 4.023 0.060 1.00 0.51 H new ATOM 0 HB3 PHE A 13 7.113 4.515 0.872 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.446 7.182 0.981 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.707 5.188 0.538 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.287 9.152 1.882 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.550 7.152 1.451 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.837 9.139 2.122 1.00 0.65 H new ATOM 215 N TYR A 14 9.172 3.914 -1.545 1.00 0.60 N ATOM 216 CA TYR A 14 10.009 2.769 -1.870 1.00 0.64 C ATOM 217 C TYR A 14 11.187 2.645 -0.914 1.00 0.69 C ATOM 218 O TYR A 14 11.697 3.640 -0.398 1.00 0.75 O ATOM 219 CB TYR A 14 10.493 2.833 -3.329 1.00 0.67 C ATOM 220 CG TYR A 14 11.286 4.072 -3.694 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.649 5.275 -3.980 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.674 4.034 -3.768 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.370 6.400 -4.325 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.401 5.155 -4.115 1.00 1.04 C ATOM 225 CZ TYR A 14 12.746 6.337 -4.392 1.00 1.03 C ATOM 226 OH TYR A 14 13.468 7.457 -4.743 1.00 1.16 O ATOM 0 H TYR A 14 9.679 4.770 -1.320 1.00 0.60 H new ATOM 0 HA TYR A 14 9.395 1.876 -1.754 1.00 0.64 H new ATOM 0 HB2 TYR A 14 11.108 1.956 -3.529 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.625 2.770 -3.986 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.571 5.330 -3.931 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.192 3.112 -3.550 1.00 0.93 H new ATOM 0 HE1 TYR A 14 10.859 7.326 -4.542 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.479 5.107 -4.169 1.00 1.04 H new ATOM 0 HH TYR A 14 13.410 7.593 -5.712 1.00 1.16 H new ATOM 236 N ILE A 15 11.594 1.411 -0.667 1.00 0.71 N ATOM 237 CA ILE A 15 12.712 1.131 0.217 1.00 0.78 C ATOM 238 C ILE A 15 13.781 0.345 -0.533 1.00 0.92 C ATOM 239 O ILE A 15 13.505 -0.710 -1.112 1.00 0.92 O ATOM 240 CB ILE A 15 12.266 0.341 1.471 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.318 1.185 2.329 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.472 -0.098 2.290 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.724 0.429 3.497 1.00 0.71 C ATOM 0 H ILE A 15 11.162 0.580 -1.071 1.00 0.71 H new ATOM 0 HA ILE A 15 13.120 2.085 0.550 1.00 0.78 H new ATOM 0 HB ILE A 15 11.734 -0.550 1.139 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.858 2.053 2.706 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.510 1.560 1.701 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.135 -0.651 3.166 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.112 -0.737 1.682 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.034 0.780 2.609 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.064 1.089 4.060 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.155 -0.424 3.127 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.525 0.077 4.147 1.00 0.71 H new ATOM 255 N GLY A 16 14.989 0.881 -0.541 1.00 1.09 N ATOM 256 CA GLY A 16 16.091 0.234 -1.218 1.00 1.26 C ATOM 257 C GLY A 16 17.298 1.140 -1.284 1.00 1.42 C ATOM 258 O GLY A 16 17.186 2.343 -1.024 1.00 1.52 O ATOM 0 H GLY A 16 15.228 1.762 -0.086 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.352 -0.687 -0.696 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.788 -0.046 -2.227 1.00 1.26 H new ATOM 262 N ASP A 17 18.450 0.581 -1.628 1.00 1.55 N ATOM 263 CA ASP A 17 19.676 1.366 -1.720 1.00 1.74 C ATOM 264 C ASP A 17 19.641 2.267 -2.951 1.00 1.66 C ATOM 265 O ASP A 17 20.235 3.341 -2.961 1.00 1.78 O ATOM 266 CB ASP A 17 20.910 0.455 -1.751 1.00 1.95 C ATOM 267 CG ASP A 17 21.120 -0.231 -3.089 1.00 2.20 C ATOM 268 OD1 ASP A 17 20.543 -1.320 -3.298 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.846 0.322 -3.943 1.00 2.14 O ATOM 0 H ASP A 17 18.563 -0.409 -1.847 1.00 1.55 H new ATOM 0 HA ASP A 17 19.745 1.995 -0.833 1.00 1.74 H new ATOM 0 HB2 ASP A 17 21.794 1.045 -1.511 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.812 -0.303 -0.974 1.00 1.95 H new ATOM 274 N ASP A 18 18.921 1.839 -3.974 1.00 1.53 N ATOM 275 CA ASP A 18 18.805 2.612 -5.199 1.00 1.48 C ATOM 276 C ASP A 18 17.383 2.520 -5.731 1.00 1.37 C ATOM 277 O ASP A 18 16.638 1.619 -5.348 1.00 1.29 O ATOM 278 CB ASP A 18 19.801 2.103 -6.247 1.00 1.53 C ATOM 279 CG ASP A 18 19.779 2.925 -7.518 1.00 1.47 C ATOM 280 OD1 ASP A 18 20.346 4.038 -7.526 1.00 1.60 O ATOM 281 OD2 ASP A 18 19.186 2.464 -8.511 1.00 1.41 O ATOM 0 H ASP A 18 18.407 0.958 -3.980 1.00 1.53 H new ATOM 0 HA ASP A 18 19.037 3.655 -4.984 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.806 2.119 -5.826 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.572 1.064 -6.486 1.00 1.53 H new ATOM 286 N GLU A 19 17.008 3.451 -6.601 1.00 1.41 N ATOM 287 CA GLU A 19 15.669 3.463 -7.178 1.00 1.38 C ATOM 288 C GLU A 19 15.451 2.246 -8.070 1.00 1.34 C ATOM 289 O GLU A 19 14.365 1.668 -8.096 1.00 1.34 O ATOM 290 CB GLU A 19 15.448 4.743 -7.981 1.00 1.49 C ATOM 291 CG GLU A 19 15.652 6.010 -7.173 1.00 1.76 C ATOM 292 CD GLU A 19 14.975 7.206 -7.799 1.00 2.08 C ATOM 293 OE1 GLU A 19 15.557 7.811 -8.724 1.00 2.43 O ATOM 294 OE2 GLU A 19 13.853 7.548 -7.374 1.00 2.72 O ATOM 0 H GLU A 19 17.612 4.207 -6.922 1.00 1.41 H new ATOM 0 HA GLU A 19 14.949 3.427 -6.361 1.00 1.38 H new ATOM 0 HB2 GLU A 19 16.130 4.751 -8.831 1.00 1.49 H new ATOM 0 HB3 GLU A 19 14.435 4.739 -8.384 1.00 1.49 H new ATOM 0 HG2 GLU A 19 15.263 5.862 -6.165 1.00 1.76 H new ATOM 0 HG3 GLU A 19 16.719 6.209 -7.077 1.00 1.76 H new ATOM 301 N ASN A 20 16.492 1.855 -8.796 1.00 1.37 N ATOM 302 CA ASN A 20 16.408 0.703 -9.684 1.00 1.39 C ATOM 303 C ASN A 20 16.407 -0.589 -8.869 1.00 1.40 C ATOM 304 O ASN A 20 15.800 -1.586 -9.261 1.00 1.52 O ATOM 305 CB ASN A 20 17.567 0.710 -10.691 1.00 1.48 C ATOM 306 CG ASN A 20 17.672 -0.584 -11.481 1.00 2.08 C ATOM 307 OD1 ASN A 20 18.413 -1.494 -11.102 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.937 -0.677 -12.579 1.00 2.15 N ATOM 0 H ASN A 20 17.401 2.317 -8.787 1.00 1.37 H new ATOM 0 HA ASN A 20 15.475 0.761 -10.244 1.00 1.39 H new ATOM 0 HB2 ASN A 20 17.436 1.542 -11.383 1.00 1.48 H new ATOM 0 HB3 ASN A 20 18.503 0.882 -10.159 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.971 -1.525 -13.145 1.00 2.15 H new ATOM 0 HD22 ASN A 20 16.337 0.099 -12.858 1.00 2.15 H new ATOM 315 N ASN A 21 17.056 -0.549 -7.713 1.00 1.36 N ATOM 316 CA ASN A 21 17.132 -1.712 -6.837 1.00 1.38 C ATOM 317 C ASN A 21 16.161 -1.562 -5.670 1.00 1.25 C ATOM 318 O ASN A 21 16.510 -1.806 -4.513 1.00 1.23 O ATOM 319 CB ASN A 21 18.559 -1.906 -6.307 1.00 1.54 C ATOM 320 CG ASN A 21 18.802 -3.330 -5.842 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.331 -4.285 -6.461 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.525 -3.486 -4.747 1.00 2.45 N ATOM 0 H ASN A 21 17.538 0.277 -7.359 1.00 1.36 H new ATOM 0 HA ASN A 21 16.856 -2.591 -7.419 1.00 1.38 H new ATOM 0 HB2 ASN A 21 19.274 -1.653 -7.089 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.735 -1.219 -5.479 1.00 1.54 H new ATOM 0 HD21 ASN A 21 19.710 -4.422 -4.387 1.00 2.45 H new ATOM 0 HD22 ASN A 21 19.898 -2.670 -4.262 1.00 2.45 H new ATOM 329 N ALA A 22 14.946 -1.131 -5.978 1.00 1.19 N ATOM 330 CA ALA A 22 13.922 -0.960 -4.959 1.00 1.09 C ATOM 331 C ALA A 22 13.440 -2.321 -4.473 1.00 1.06 C ATOM 332 O ALA A 22 12.713 -3.023 -5.181 1.00 1.14 O ATOM 333 CB ALA A 22 12.763 -0.134 -5.500 1.00 1.04 C ATOM 0 H ALA A 22 14.646 -0.894 -6.924 1.00 1.19 H new ATOM 0 HA ALA A 22 14.351 -0.422 -4.113 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.007 -0.016 -4.724 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.127 0.848 -5.804 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.325 -0.641 -6.360 1.00 1.04 H new ATOM 339 N LEU A 23 13.860 -2.694 -3.271 1.00 0.99 N ATOM 340 CA LEU A 23 13.484 -3.976 -2.690 1.00 0.99 C ATOM 341 C LEU A 23 11.972 -4.079 -2.555 1.00 0.87 C ATOM 342 O LEU A 23 11.381 -5.125 -2.819 1.00 0.95 O ATOM 343 CB LEU A 23 14.146 -4.160 -1.323 1.00 1.05 C ATOM 344 CG LEU A 23 15.678 -4.158 -1.331 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.217 -4.284 0.087 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.214 -5.279 -2.208 1.00 1.37 C ATOM 0 H LEU A 23 14.463 -2.124 -2.678 1.00 0.99 H new ATOM 0 HA LEU A 23 13.830 -4.766 -3.356 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.802 -3.365 -0.661 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.803 -5.102 -0.895 1.00 1.05 H new ATOM 0 HG LEU A 23 16.017 -3.209 -1.747 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.307 -4.281 0.064 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.865 -3.444 0.686 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.866 -5.217 0.528 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.304 -5.259 -2.199 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.866 -6.238 -1.825 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.857 -5.144 -3.229 1.00 1.37 H new ATOM 358 N ALA A 24 11.353 -2.981 -2.162 1.00 0.77 N ATOM 359 CA ALA A 24 9.910 -2.935 -2.002 1.00 0.66 C ATOM 360 C ALA A 24 9.402 -1.537 -2.298 1.00 0.60 C ATOM 361 O ALA A 24 10.078 -0.553 -1.995 1.00 0.67 O ATOM 362 CB ALA A 24 9.510 -3.363 -0.599 1.00 0.71 C ATOM 0 H ALA A 24 11.829 -2.105 -1.947 1.00 0.77 H new ATOM 0 HA ALA A 24 9.458 -3.631 -2.708 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.425 -3.321 -0.501 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.852 -4.382 -0.418 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.966 -2.693 0.130 1.00 0.71 H new ATOM 368 N GLU A 25 8.226 -1.451 -2.899 1.00 0.54 N ATOM 369 CA GLU A 25 7.637 -0.164 -3.228 1.00 0.52 C ATOM 370 C GLU A 25 6.114 -0.246 -3.234 1.00 0.43 C ATOM 371 O GLU A 25 5.533 -1.302 -3.512 1.00 0.45 O ATOM 372 CB GLU A 25 8.141 0.330 -4.589 1.00 0.65 C ATOM 373 CG GLU A 25 7.509 -0.382 -5.774 1.00 0.84 C ATOM 374 CD GLU A 25 8.084 0.060 -7.100 1.00 0.87 C ATOM 375 OE1 GLU A 25 9.321 0.019 -7.254 1.00 1.33 O ATOM 376 OE2 GLU A 25 7.306 0.453 -7.995 1.00 1.02 O ATOM 0 H GLU A 25 7.661 -2.257 -3.168 1.00 0.54 H new ATOM 0 HA GLU A 25 7.942 0.548 -2.461 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.944 1.399 -4.672 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.222 0.201 -4.634 1.00 0.65 H new ATOM 0 HG2 GLU A 25 7.650 -1.457 -5.663 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.434 -0.199 -5.771 1.00 0.84 H new ATOM 383 N ILE A 26 5.483 0.867 -2.905 1.00 0.40 N ATOM 384 CA ILE A 26 4.033 0.965 -2.888 1.00 0.33 C ATOM 385 C ILE A 26 3.614 2.282 -3.535 1.00 0.33 C ATOM 386 O ILE A 26 4.215 3.327 -3.275 1.00 0.38 O ATOM 387 CB ILE A 26 3.463 0.864 -1.450 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.930 0.917 -1.475 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.028 1.965 -0.560 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.289 0.672 -0.126 1.00 0.34 C ATOM 0 H ILE A 26 5.961 1.729 -2.642 1.00 0.40 H new ATOM 0 HA ILE A 26 3.625 0.127 -3.453 1.00 0.33 H new ATOM 0 HB ILE A 26 3.767 -0.095 -1.030 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.615 1.893 -1.845 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.561 0.174 -2.182 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.612 1.871 0.443 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.113 1.874 -0.513 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.763 2.938 -0.973 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.205 0.725 -0.223 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.573 -0.316 0.238 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.627 1.430 0.581 1.00 0.34 H new ATOM 402 N THR A 27 2.611 2.232 -4.395 1.00 0.33 N ATOM 403 CA THR A 27 2.143 3.425 -5.077 1.00 0.35 C ATOM 404 C THR A 27 0.719 3.774 -4.655 1.00 0.37 C ATOM 405 O THR A 27 -0.125 2.891 -4.498 1.00 0.41 O ATOM 406 CB THR A 27 2.204 3.246 -6.607 1.00 0.40 C ATOM 407 OG1 THR A 27 1.708 1.952 -6.974 1.00 0.60 O ATOM 408 CG2 THR A 27 3.629 3.400 -7.117 1.00 0.51 C ATOM 0 H THR A 27 2.106 1.379 -4.637 1.00 0.33 H new ATOM 0 HA THR A 27 2.803 4.244 -4.793 1.00 0.35 H new ATOM 0 HB THR A 27 1.583 4.019 -7.059 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.528 1.932 -7.937 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.644 3.269 -8.199 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.000 4.394 -6.866 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.265 2.647 -6.651 1.00 0.51 H new ATOM 416 N TYR A 28 0.461 5.060 -4.470 1.00 0.39 N ATOM 417 CA TYR A 28 -0.858 5.532 -4.067 1.00 0.45 C ATOM 418 C TYR A 28 -1.208 6.790 -4.846 1.00 0.48 C ATOM 419 O TYR A 28 -0.330 7.421 -5.430 1.00 0.68 O ATOM 420 CB TYR A 28 -0.896 5.811 -2.556 1.00 0.48 C ATOM 421 CG TYR A 28 -0.061 7.001 -2.122 1.00 0.49 C ATOM 422 CD1 TYR A 28 1.311 6.885 -1.948 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.648 8.240 -1.892 1.00 0.59 C ATOM 424 CE1 TYR A 28 2.076 7.968 -1.555 1.00 0.60 C ATOM 425 CE2 TYR A 28 0.110 9.330 -1.502 1.00 0.66 C ATOM 426 CZ TYR A 28 1.472 9.189 -1.334 1.00 0.65 C ATOM 427 OH TYR A 28 2.234 10.270 -0.950 1.00 0.76 O ATOM 0 H TYR A 28 1.152 5.801 -4.593 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.593 4.757 -4.287 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -1.930 5.978 -2.255 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.548 4.925 -2.025 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.789 5.933 -2.123 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.714 8.354 -2.020 1.00 0.59 H new ATOM 0 HE1 TYR A 28 3.142 7.859 -1.422 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.362 10.286 -1.330 1.00 0.66 H new ATOM 0 HH TYR A 28 1.657 11.054 -0.837 1.00 0.76 H new ATOM 437 N ARG A 29 -2.482 7.149 -4.865 1.00 0.42 N ATOM 438 CA ARG A 29 -2.920 8.340 -5.578 1.00 0.48 C ATOM 439 C ARG A 29 -4.290 8.796 -5.094 1.00 0.48 C ATOM 440 O ARG A 29 -5.137 7.975 -4.732 1.00 0.49 O ATOM 441 CB ARG A 29 -2.953 8.080 -7.087 1.00 0.56 C ATOM 442 CG ARG A 29 -3.733 6.833 -7.484 1.00 0.93 C ATOM 443 CD ARG A 29 -3.592 6.539 -8.969 1.00 1.22 C ATOM 444 NE ARG A 29 -4.104 7.635 -9.789 1.00 1.83 N ATOM 445 CZ ARG A 29 -3.394 8.273 -10.724 1.00 2.81 C ATOM 446 NH1 ARG A 29 -2.130 7.929 -10.960 1.00 3.23 N ATOM 447 NH2 ARG A 29 -3.949 9.261 -11.412 1.00 3.63 N ATOM 0 H ARG A 29 -3.229 6.635 -4.397 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.204 9.135 -5.373 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -3.392 8.945 -7.585 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -1.930 7.988 -7.452 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.376 5.980 -6.907 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -4.786 6.967 -7.237 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -2.543 6.366 -9.207 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -4.129 5.622 -9.211 1.00 1.22 H new ATOM 0 HE ARG A 29 -5.068 7.933 -9.637 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -1.698 7.175 -10.426 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -1.593 8.420 -11.675 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -4.915 9.532 -11.227 1.00 3.63 H new ATOM 0 HH22 ARG A 29 -3.410 9.750 -12.127 1.00 3.63 H new ATOM 461 N PHE A 30 -4.494 10.106 -5.077 1.00 0.56 N ATOM 462 CA PHE A 30 -5.759 10.684 -4.651 1.00 0.60 C ATOM 463 C PHE A 30 -6.773 10.615 -5.785 1.00 0.68 C ATOM 464 O PHE A 30 -6.708 11.387 -6.741 1.00 0.83 O ATOM 465 CB PHE A 30 -5.566 12.138 -4.212 1.00 0.66 C ATOM 466 CG PHE A 30 -5.162 12.294 -2.774 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.826 12.268 -2.412 1.00 0.70 C ATOM 468 CD2 PHE A 30 -6.119 12.458 -1.784 1.00 0.72 C ATOM 469 CE1 PHE A 30 -3.448 12.403 -1.090 1.00 0.77 C ATOM 470 CE2 PHE A 30 -5.748 12.591 -0.461 1.00 0.80 C ATOM 471 CZ PHE A 30 -4.419 12.597 -0.115 1.00 0.82 C ATOM 0 H PHE A 30 -3.793 10.792 -5.356 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.132 10.111 -3.802 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -4.807 12.600 -4.844 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.495 12.683 -4.379 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.070 12.141 -3.173 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -7.165 12.482 -2.051 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -2.404 12.358 -0.816 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -6.504 12.691 0.303 1.00 0.80 H new ATOM 0 HZ PHE A 30 -4.129 12.752 0.914 1.00 0.82 H new ATOM 481 N VAL A 31 -7.695 9.677 -5.687 1.00 0.62 N ATOM 482 CA VAL A 31 -8.715 9.504 -6.711 1.00 0.70 C ATOM 483 C VAL A 31 -9.954 10.333 -6.395 1.00 0.73 C ATOM 484 O VAL A 31 -10.803 10.558 -7.259 1.00 0.83 O ATOM 485 CB VAL A 31 -9.111 8.022 -6.876 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.000 7.251 -7.570 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.437 7.397 -5.528 1.00 0.67 C ATOM 0 H VAL A 31 -7.761 9.021 -4.909 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.284 9.852 -7.650 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.006 7.973 -7.497 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.295 6.207 -7.679 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -7.819 7.682 -8.555 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.089 7.311 -6.975 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -9.713 6.352 -5.669 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.564 7.457 -4.878 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.268 7.934 -5.070 1.00 0.67 H new ATOM 497 N ASP A 32 -10.052 10.783 -5.154 1.00 0.72 N ATOM 498 CA ASP A 32 -11.178 11.593 -4.717 1.00 0.84 C ATOM 499 C ASP A 32 -10.666 12.734 -3.852 1.00 0.97 C ATOM 500 O ASP A 32 -9.470 13.020 -3.854 1.00 1.74 O ATOM 501 CB ASP A 32 -12.185 10.738 -3.942 1.00 0.84 C ATOM 502 CG ASP A 32 -13.592 11.298 -3.995 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.945 12.118 -3.125 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.352 10.921 -4.913 1.00 1.16 O ATOM 0 H ASP A 32 -9.360 10.599 -4.427 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.688 12.004 -5.588 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.185 9.727 -4.349 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.867 10.663 -2.902 1.00 0.84 H new ATOM 509 N ASN A 33 -11.557 13.372 -3.106 1.00 0.89 N ATOM 510 CA ASN A 33 -11.179 14.487 -2.249 1.00 0.95 C ATOM 511 C ASN A 33 -10.244 14.027 -1.129 1.00 0.84 C ATOM 512 O ASN A 33 -9.235 14.672 -0.853 1.00 1.07 O ATOM 513 CB ASN A 33 -12.431 15.185 -1.681 1.00 1.09 C ATOM 514 CG ASN A 33 -13.021 14.498 -0.458 1.00 1.82 C ATOM 515 OD1 ASN A 33 -12.769 14.901 0.678 1.00 2.09 O ATOM 516 ND2 ASN A 33 -13.806 13.455 -0.680 1.00 2.72 N ATOM 0 H ASN A 33 -12.549 13.136 -3.077 1.00 0.89 H new ATOM 0 HA ASN A 33 -10.635 15.212 -2.854 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.175 16.212 -1.420 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -13.192 15.234 -2.460 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -14.225 12.956 0.105 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.992 13.151 -1.636 1.00 2.72 H new ATOM 523 N ASN A 34 -10.559 12.893 -0.510 1.00 0.73 N ATOM 524 CA ASN A 34 -9.740 12.362 0.579 1.00 0.86 C ATOM 525 C ASN A 34 -9.591 10.851 0.458 1.00 0.88 C ATOM 526 O ASN A 34 -9.347 10.163 1.448 1.00 1.22 O ATOM 527 CB ASN A 34 -10.351 12.704 1.946 1.00 1.01 C ATOM 528 CG ASN A 34 -10.040 14.117 2.433 1.00 1.35 C ATOM 529 OD1 ASN A 34 -8.914 14.676 2.011 1.00 1.84 O flip ATOM 530 ND2 ASN A 34 -10.810 14.697 3.197 1.00 1.83 N flip ATOM 0 H ASN A 34 -11.373 12.324 -0.742 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.757 12.826 0.504 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.433 12.581 1.889 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.987 11.989 2.684 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -11.668 14.238 3.502 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -10.590 15.637 3.525 1.00 1.83 H new ATOM 537 N GLU A 35 -9.733 10.334 -0.754 1.00 0.64 N ATOM 538 CA GLU A 35 -9.613 8.900 -0.982 1.00 0.62 C ATOM 539 C GLU A 35 -8.310 8.578 -1.703 1.00 0.57 C ATOM 540 O GLU A 35 -8.034 9.115 -2.779 1.00 0.59 O ATOM 541 CB GLU A 35 -10.796 8.367 -1.796 1.00 0.68 C ATOM 542 CG GLU A 35 -12.147 8.550 -1.119 1.00 1.01 C ATOM 543 CD GLU A 35 -13.249 7.739 -1.778 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.262 7.654 -3.022 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.105 7.182 -1.056 1.00 2.25 O ATOM 0 H GLU A 35 -9.930 10.882 -1.591 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.614 8.412 -0.007 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.815 8.870 -2.763 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.640 7.306 -1.992 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.066 8.260 -0.071 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -12.418 9.606 -1.138 1.00 1.01 H new ATOM 552 N ILE A 36 -7.514 7.705 -1.102 1.00 0.52 N ATOM 553 CA ILE A 36 -6.243 7.301 -1.682 1.00 0.48 C ATOM 554 C ILE A 36 -6.311 5.856 -2.158 1.00 0.46 C ATOM 555 O ILE A 36 -6.625 4.947 -1.386 1.00 0.53 O ATOM 556 CB ILE A 36 -5.068 7.465 -0.691 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.511 7.152 0.743 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.498 8.872 -0.777 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.386 7.195 1.754 1.00 0.51 C ATOM 0 H ILE A 36 -7.728 7.262 -0.209 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.058 7.960 -2.530 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.289 6.754 -0.966 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.280 7.865 1.039 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.968 6.163 0.764 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.671 8.973 -0.074 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.138 9.058 -1.789 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.275 9.595 -0.530 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.778 6.963 2.744 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.626 6.462 1.484 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.943 8.191 1.763 1.00 0.51 H new ATOM 571 N ASN A 37 -6.029 5.654 -3.434 1.00 0.44 N ATOM 572 CA ASN A 37 -6.064 4.323 -4.021 1.00 0.46 C ATOM 573 C ASN A 37 -4.660 3.768 -4.196 1.00 0.42 C ATOM 574 O ASN A 37 -3.772 4.447 -4.717 1.00 0.50 O ATOM 575 CB ASN A 37 -6.792 4.353 -5.372 1.00 0.54 C ATOM 576 CG ASN A 37 -6.669 3.045 -6.147 1.00 0.86 C ATOM 577 OD1 ASN A 37 -5.785 2.886 -6.990 1.00 1.82 O ATOM 578 ND2 ASN A 37 -7.566 2.104 -5.880 1.00 0.98 N ATOM 0 H ASN A 37 -5.773 6.396 -4.085 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.609 3.669 -3.340 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.847 4.572 -5.205 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.390 5.166 -5.977 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -7.537 1.215 -6.379 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -8.285 2.270 -5.175 1.00 0.98 H new ATOM 585 N ILE A 38 -4.459 2.545 -3.724 1.00 0.36 N ATOM 586 CA ILE A 38 -3.172 1.881 -3.851 1.00 0.33 C ATOM 587 C ILE A 38 -3.081 1.210 -5.216 1.00 0.41 C ATOM 588 O ILE A 38 -3.837 0.281 -5.518 1.00 0.53 O ATOM 589 CB ILE A 38 -2.943 0.844 -2.729 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.803 1.558 -1.383 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.701 0.004 -3.013 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.810 0.626 -0.191 1.00 0.69 C ATOM 0 H ILE A 38 -5.173 1.993 -3.249 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.391 2.636 -3.756 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.804 0.176 -2.692 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.874 2.128 -1.380 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.617 2.274 -1.276 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.559 -0.719 -2.210 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.827 -0.524 -3.958 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.828 0.654 -3.074 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.707 1.207 0.726 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.749 0.074 -0.167 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.979 -0.075 -0.272 1.00 0.69 H new ATOM 604 N ASP A 39 -2.155 1.699 -6.027 1.00 0.52 N ATOM 605 CA ASP A 39 -1.956 1.195 -7.379 1.00 0.73 C ATOM 606 C ASP A 39 -1.297 -0.187 -7.381 1.00 0.50 C ATOM 607 O ASP A 39 -1.933 -1.177 -7.743 1.00 0.64 O ATOM 608 CB ASP A 39 -1.125 2.200 -8.183 1.00 1.08 C ATOM 609 CG ASP A 39 -0.539 1.615 -9.448 1.00 1.73 C ATOM 610 OD1 ASP A 39 -1.311 1.261 -10.362 1.00 2.47 O ATOM 611 OD2 ASP A 39 0.702 1.507 -9.527 1.00 2.16 O ATOM 0 H ASP A 39 -1.521 2.455 -5.768 1.00 0.52 H new ATOM 0 HA ASP A 39 -2.933 1.079 -7.849 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -1.751 3.054 -8.442 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.316 2.576 -7.556 1.00 1.08 H new ATOM 616 N HIS A 40 -0.033 -0.264 -6.978 1.00 0.37 N ATOM 617 CA HIS A 40 0.666 -1.545 -6.957 1.00 0.44 C ATOM 618 C HIS A 40 1.622 -1.637 -5.775 1.00 0.39 C ATOM 619 O HIS A 40 2.017 -0.625 -5.196 1.00 0.42 O ATOM 620 CB HIS A 40 1.410 -1.801 -8.287 1.00 0.72 C ATOM 621 CG HIS A 40 2.718 -1.075 -8.449 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.838 0.107 -9.140 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.971 -1.390 -8.032 1.00 0.92 C ATOM 624 CE1 HIS A 40 4.099 0.490 -9.149 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.809 -0.399 -8.484 1.00 1.64 N ATOM 0 H HIS A 40 0.522 0.533 -6.666 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.087 -2.324 -6.839 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.595 -2.871 -8.379 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.754 -1.519 -9.110 1.00 0.72 H new ATOM 0 HD1 HIS A 40 2.068 0.611 -9.579 1.00 1.59 H new ATOM 0 HD2 HIS A 40 4.256 -2.257 -7.454 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.485 1.381 -9.621 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.816 -0.358 -8.330 1.00 1.64 H new ATOM 634 N THR A 41 1.974 -2.866 -5.424 1.00 0.41 N ATOM 635 CA THR A 41 2.889 -3.134 -4.328 1.00 0.45 C ATOM 636 C THR A 41 3.834 -4.265 -4.717 1.00 0.54 C ATOM 637 O THR A 41 3.404 -5.401 -4.911 1.00 0.73 O ATOM 638 CB THR A 41 2.123 -3.523 -3.049 1.00 0.48 C ATOM 639 OG1 THR A 41 0.868 -2.825 -2.999 1.00 0.48 O ATOM 640 CG2 THR A 41 2.939 -3.197 -1.806 1.00 0.55 C ATOM 0 H THR A 41 1.632 -3.705 -5.893 1.00 0.41 H new ATOM 0 HA THR A 41 3.457 -2.226 -4.127 1.00 0.45 H new ATOM 0 HB THR A 41 1.943 -4.598 -3.073 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.196 -3.323 -3.510 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.376 -3.481 -0.917 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.879 -3.749 -1.833 1.00 0.55 H new ATOM 0 HG23 THR A 41 3.147 -2.127 -1.778 1.00 0.55 H new ATOM 648 N GLY A 42 5.112 -3.951 -4.852 1.00 0.55 N ATOM 649 CA GLY A 42 6.079 -4.960 -5.232 1.00 0.66 C ATOM 650 C GLY A 42 7.141 -5.156 -4.177 1.00 0.64 C ATOM 651 O GLY A 42 7.771 -4.194 -3.738 1.00 0.70 O ATOM 0 H GLY A 42 5.497 -3.018 -4.706 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.565 -5.905 -5.409 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.551 -4.673 -6.172 1.00 0.66 H new ATOM 655 N VAL A 43 7.337 -6.398 -3.764 1.00 0.67 N ATOM 656 CA VAL A 43 8.328 -6.730 -2.749 1.00 0.71 C ATOM 657 C VAL A 43 9.210 -7.874 -3.236 1.00 0.74 C ATOM 658 O VAL A 43 8.703 -8.886 -3.715 1.00 0.82 O ATOM 659 CB VAL A 43 7.659 -7.144 -1.417 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.703 -7.411 -0.344 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.673 -6.083 -0.947 1.00 0.80 C ATOM 0 H VAL A 43 6.818 -7.201 -4.119 1.00 0.67 H new ATOM 0 HA VAL A 43 8.930 -5.839 -2.574 1.00 0.71 H new ATOM 0 HB VAL A 43 7.107 -8.067 -1.596 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.207 -7.700 0.582 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.362 -8.216 -0.670 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.290 -6.508 -0.175 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.217 -6.400 -0.009 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.198 -5.140 -0.795 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.897 -5.949 -1.700 1.00 0.80 H new ATOM 671 N SER A 44 10.518 -7.705 -3.136 1.00 0.82 N ATOM 672 CA SER A 44 11.449 -8.737 -3.562 1.00 0.90 C ATOM 673 C SER A 44 11.501 -9.865 -2.542 1.00 1.01 C ATOM 674 O SER A 44 11.540 -9.632 -1.334 1.00 1.32 O ATOM 675 CB SER A 44 12.848 -8.158 -3.774 1.00 1.27 C ATOM 676 OG SER A 44 13.750 -9.150 -4.238 1.00 1.83 O ATOM 0 H SER A 44 10.959 -6.864 -2.764 1.00 0.82 H new ATOM 0 HA SER A 44 11.093 -9.137 -4.512 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.801 -7.341 -4.494 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.216 -7.738 -2.838 1.00 1.27 H new ATOM 0 HG SER A 44 14.636 -8.752 -4.367 1.00 1.83 H new ATOM 759 N GLY A 51 9.447 -7.684 6.731 1.00 1.01 N ATOM 760 CA GLY A 51 8.253 -6.857 6.754 1.00 1.11 C ATOM 761 C GLY A 51 8.427 -5.537 6.026 1.00 0.88 C ATOM 762 O GLY A 51 7.813 -4.539 6.396 1.00 0.86 O ATOM 0 HA2 GLY A 51 7.428 -7.408 6.302 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.975 -6.660 7.789 1.00 1.11 H new ATOM 766 N VAL A 52 9.241 -5.537 4.977 1.00 0.80 N ATOM 767 CA VAL A 52 9.492 -4.329 4.195 1.00 0.68 C ATOM 768 C VAL A 52 8.190 -3.817 3.583 1.00 0.58 C ATOM 769 O VAL A 52 7.921 -2.615 3.577 1.00 0.56 O ATOM 770 CB VAL A 52 10.519 -4.572 3.065 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.112 -3.255 2.585 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.619 -5.518 3.523 1.00 1.14 C ATOM 0 H VAL A 52 9.741 -6.362 4.646 1.00 0.80 H new ATOM 0 HA VAL A 52 9.904 -3.586 4.878 1.00 0.68 H new ATOM 0 HB VAL A 52 9.996 -5.039 2.230 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.832 -3.449 1.790 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.316 -2.614 2.206 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.613 -2.758 3.415 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.328 -5.672 2.710 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.137 -5.086 4.379 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.181 -6.474 3.809 1.00 1.14 H new ATOM 782 N GLY A 53 7.377 -4.745 3.086 1.00 0.59 N ATOM 783 CA GLY A 53 6.106 -4.380 2.488 1.00 0.58 C ATOM 784 C GLY A 53 5.122 -3.871 3.522 1.00 0.51 C ATOM 785 O GLY A 53 4.299 -3.000 3.235 1.00 0.50 O ATOM 0 H GLY A 53 7.577 -5.745 3.087 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.268 -3.612 1.731 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.682 -5.245 1.978 1.00 0.58 H new ATOM 789 N LYS A 54 5.217 -4.411 4.734 1.00 0.52 N ATOM 790 CA LYS A 54 4.336 -4.006 5.823 1.00 0.50 C ATOM 791 C LYS A 54 4.698 -2.600 6.274 1.00 0.48 C ATOM 792 O LYS A 54 3.826 -1.778 6.551 1.00 0.48 O ATOM 793 CB LYS A 54 4.447 -4.978 7.000 1.00 0.59 C ATOM 794 CG LYS A 54 4.305 -6.440 6.610 1.00 0.75 C ATOM 795 CD LYS A 54 4.214 -7.334 7.835 1.00 1.08 C ATOM 796 CE LYS A 54 4.300 -8.802 7.466 1.00 1.49 C ATOM 797 NZ LYS A 54 3.953 -9.679 8.607 1.00 2.02 N ATOM 0 H LYS A 54 5.895 -5.130 4.986 1.00 0.52 H new ATOM 0 HA LYS A 54 3.307 -4.019 5.464 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.412 -4.834 7.487 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.680 -4.732 7.734 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.414 -6.569 5.996 1.00 0.75 H new ATOM 0 HG3 LYS A 54 5.158 -6.740 6.001 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.018 -7.085 8.528 1.00 1.08 H new ATOM 0 HD3 LYS A 54 3.275 -7.144 8.355 1.00 1.08 H new ATOM 0 HE2 LYS A 54 3.628 -9.007 6.633 1.00 1.49 H new ATOM 0 HE3 LYS A 54 5.309 -9.032 7.125 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 4.024 -10.674 8.314 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 4.610 -9.502 9.393 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 2.981 -9.478 8.916 1.00 2.02 H new ATOM 811 N LYS A 55 5.999 -2.343 6.337 1.00 0.51 N ATOM 812 CA LYS A 55 6.521 -1.043 6.732 1.00 0.54 C ATOM 813 C LYS A 55 6.001 0.041 5.792 1.00 0.47 C ATOM 814 O LYS A 55 5.626 1.131 6.224 1.00 0.48 O ATOM 815 CB LYS A 55 8.052 -1.083 6.705 1.00 0.65 C ATOM 816 CG LYS A 55 8.720 0.200 7.169 1.00 1.28 C ATOM 817 CD LYS A 55 10.231 0.037 7.231 1.00 1.72 C ATOM 818 CE LYS A 55 10.912 1.317 7.679 1.00 2.30 C ATOM 819 NZ LYS A 55 12.360 1.113 7.952 1.00 2.57 N ATOM 0 H LYS A 55 6.720 -3.030 6.116 1.00 0.51 H new ATOM 0 HA LYS A 55 6.186 -0.810 7.743 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.393 -1.905 7.335 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.380 -1.303 5.689 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.466 1.013 6.489 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.340 0.477 8.152 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.483 -0.770 7.919 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.607 -0.252 6.250 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.792 2.080 6.909 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.423 1.692 8.578 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.786 2.012 8.255 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.475 0.404 8.704 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.833 0.780 7.088 1.00 2.57 H new ATOM 833 N LEU A 56 5.964 -0.281 4.507 1.00 0.46 N ATOM 834 CA LEU A 56 5.488 0.653 3.495 1.00 0.45 C ATOM 835 C LEU A 56 3.982 0.870 3.608 1.00 0.38 C ATOM 836 O LEU A 56 3.506 2.004 3.537 1.00 0.37 O ATOM 837 CB LEU A 56 5.838 0.140 2.101 1.00 0.54 C ATOM 838 CG LEU A 56 7.305 0.296 1.706 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.568 -0.391 0.383 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.679 1.765 1.626 1.00 0.85 C ATOM 0 H LEU A 56 6.259 -1.185 4.139 1.00 0.46 H new ATOM 0 HA LEU A 56 5.982 1.610 3.661 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.571 -0.915 2.041 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.223 0.666 1.371 1.00 0.54 H new ATOM 0 HG LEU A 56 7.923 -0.175 2.470 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.617 -0.272 0.113 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.334 -1.452 0.471 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.942 0.056 -0.390 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.728 1.859 1.343 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.057 2.259 0.880 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.522 2.234 2.597 1.00 0.85 H new ATOM 852 N LEU A 57 3.235 -0.218 3.789 1.00 0.37 N ATOM 853 CA LEU A 57 1.784 -0.130 3.917 1.00 0.36 C ATOM 854 C LEU A 57 1.410 0.664 5.164 1.00 0.34 C ATOM 855 O LEU A 57 0.527 1.520 5.124 1.00 0.37 O ATOM 856 CB LEU A 57 1.152 -1.526 3.974 1.00 0.43 C ATOM 857 CG LEU A 57 -0.376 -1.535 4.074 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.001 -0.914 2.834 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.893 -2.949 4.277 1.00 0.71 C ATOM 0 H LEU A 57 3.609 -1.165 3.850 1.00 0.37 H new ATOM 0 HA LEU A 57 1.398 0.386 3.038 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.447 -2.080 3.083 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.561 -2.060 4.831 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.662 -0.937 4.939 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.087 -0.931 2.927 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.661 0.117 2.733 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.703 -1.482 1.953 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.981 -2.932 4.345 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.592 -3.571 3.434 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.478 -3.360 5.197 1.00 0.71 H new ATOM 871 N LYS A 58 2.104 0.386 6.262 1.00 0.36 N ATOM 872 CA LYS A 58 1.852 1.071 7.519 1.00 0.42 C ATOM 873 C LYS A 58 2.132 2.561 7.382 1.00 0.41 C ATOM 874 O LYS A 58 1.400 3.381 7.924 1.00 0.44 O ATOM 875 CB LYS A 58 2.707 0.479 8.641 1.00 0.50 C ATOM 876 CG LYS A 58 2.302 0.958 10.027 1.00 0.74 C ATOM 877 CD LYS A 58 3.192 0.362 11.106 1.00 1.10 C ATOM 878 CE LYS A 58 4.483 1.148 11.269 1.00 1.13 C ATOM 879 NZ LYS A 58 4.344 2.248 12.258 1.00 1.39 N ATOM 0 H LYS A 58 2.847 -0.311 6.304 1.00 0.36 H new ATOM 0 HA LYS A 58 0.801 0.933 7.773 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.637 -0.608 8.606 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.752 0.737 8.466 1.00 0.50 H new ATOM 0 HG2 LYS A 58 2.358 2.046 10.068 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.264 0.685 10.218 1.00 0.74 H new ATOM 0 HD2 LYS A 58 2.654 0.346 12.054 1.00 1.10 H new ATOM 0 HD3 LYS A 58 3.425 -0.673 10.855 1.00 1.10 H new ATOM 0 HE2 LYS A 58 5.280 0.475 11.585 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.779 1.562 10.305 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 4.969 3.036 11.991 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.358 2.578 12.274 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 4.608 1.901 13.202 1.00 1.39 H new ATOM 893 N ALA A 59 3.182 2.902 6.645 1.00 0.43 N ATOM 894 CA ALA A 59 3.550 4.298 6.430 1.00 0.48 C ATOM 895 C ALA A 59 2.409 5.065 5.765 1.00 0.44 C ATOM 896 O ALA A 59 2.154 6.226 6.091 1.00 0.47 O ATOM 897 CB ALA A 59 4.814 4.389 5.588 1.00 0.56 C ATOM 0 H ALA A 59 3.796 2.230 6.185 1.00 0.43 H new ATOM 0 HA ALA A 59 3.744 4.753 7.401 1.00 0.48 H new ATOM 0 HB1 ALA A 59 5.076 5.436 5.436 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.631 3.882 6.102 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.643 3.914 4.622 1.00 0.56 H new ATOM 903 N VAL A 60 1.722 4.404 4.841 1.00 0.39 N ATOM 904 CA VAL A 60 0.603 5.015 4.138 1.00 0.38 C ATOM 905 C VAL A 60 -0.605 5.136 5.063 1.00 0.37 C ATOM 906 O VAL A 60 -1.171 6.219 5.220 1.00 0.40 O ATOM 907 CB VAL A 60 0.204 4.203 2.883 1.00 0.38 C ATOM 908 CG1 VAL A 60 -0.991 4.835 2.184 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.380 4.080 1.925 1.00 0.41 C ATOM 0 H VAL A 60 1.921 3.444 4.562 1.00 0.39 H new ATOM 0 HA VAL A 60 0.925 6.007 3.820 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.082 3.202 3.206 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.252 4.246 1.305 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.840 4.862 2.867 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.739 5.850 1.878 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.078 3.505 1.050 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.701 5.074 1.614 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.205 3.572 2.425 1.00 0.41 H new ATOM 919 N VAL A 61 -0.969 4.024 5.700 1.00 0.36 N ATOM 920 CA VAL A 61 -2.116 3.990 6.607 1.00 0.40 C ATOM 921 C VAL A 61 -1.932 4.963 7.770 1.00 0.44 C ATOM 922 O VAL A 61 -2.881 5.626 8.198 1.00 0.49 O ATOM 923 CB VAL A 61 -2.354 2.570 7.172 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.572 2.550 8.086 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.514 1.560 6.045 1.00 0.43 C ATOM 0 H VAL A 61 -0.484 3.132 5.604 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.985 4.288 6.021 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.480 2.289 7.760 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.721 1.542 8.472 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.414 3.237 8.917 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.454 2.857 7.524 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.680 0.568 6.466 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.366 1.839 5.425 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.610 1.549 5.436 1.00 0.43 H new ATOM 935 N GLU A 62 -0.705 5.047 8.265 1.00 0.47 N ATOM 936 CA GLU A 62 -0.373 5.932 9.371 1.00 0.54 C ATOM 937 C GLU A 62 -0.714 7.369 9.019 1.00 0.55 C ATOM 938 O GLU A 62 -1.396 8.061 9.776 1.00 0.61 O ATOM 939 CB GLU A 62 1.116 5.819 9.700 1.00 0.61 C ATOM 940 CG GLU A 62 1.427 5.849 11.184 1.00 1.05 C ATOM 941 CD GLU A 62 2.530 4.881 11.552 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.666 5.049 11.060 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.266 3.937 12.326 1.00 1.76 O ATOM 0 H GLU A 62 0.085 4.506 7.913 1.00 0.47 H new ATOM 0 HA GLU A 62 -0.957 5.636 10.242 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.501 4.891 9.278 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.648 6.636 9.212 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.720 6.859 11.473 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.527 5.604 11.748 1.00 1.05 H new ATOM 950 N HIS A 63 -0.255 7.802 7.851 1.00 0.54 N ATOM 951 CA HIS A 63 -0.505 9.157 7.387 1.00 0.61 C ATOM 952 C HIS A 63 -1.971 9.336 7.012 1.00 0.61 C ATOM 953 O HIS A 63 -2.527 10.431 7.126 1.00 0.69 O ATOM 954 CB HIS A 63 0.389 9.486 6.194 1.00 0.67 C ATOM 955 CG HIS A 63 0.458 10.951 5.887 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.630 11.915 6.855 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.375 11.613 4.711 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.651 13.105 6.289 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.498 12.950 4.989 1.00 1.04 N ATOM 0 H HIS A 63 0.294 7.231 7.208 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.270 9.844 8.200 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.395 9.116 6.391 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.020 8.956 5.316 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.726 11.736 7.855 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.238 11.171 3.735 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.773 14.047 6.803 1.00 0.97 H new ATOM 968 N ALA A 64 -2.589 8.251 6.558 1.00 0.56 N ATOM 969 CA ALA A 64 -3.992 8.269 6.182 1.00 0.62 C ATOM 970 C ALA A 64 -4.850 8.598 7.391 1.00 0.70 C ATOM 971 O ALA A 64 -5.714 9.466 7.328 1.00 0.85 O ATOM 972 CB ALA A 64 -4.404 6.934 5.584 1.00 0.61 C ATOM 0 H ALA A 64 -2.135 7.345 6.442 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.140 9.040 5.426 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.458 6.968 5.309 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.804 6.732 4.697 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.246 6.143 6.317 1.00 0.61 H new ATOM 978 N ARG A 65 -4.579 7.917 8.498 1.00 0.69 N ATOM 979 CA ARG A 65 -5.316 8.134 9.734 1.00 0.82 C ATOM 980 C ARG A 65 -5.141 9.568 10.230 1.00 0.85 C ATOM 981 O ARG A 65 -6.077 10.169 10.755 1.00 0.96 O ATOM 982 CB ARG A 65 -4.851 7.147 10.811 1.00 0.89 C ATOM 983 CG ARG A 65 -5.564 7.318 12.143 1.00 1.36 C ATOM 984 CD ARG A 65 -5.380 6.106 13.041 1.00 1.44 C ATOM 985 NE ARG A 65 -6.509 5.942 13.956 1.00 2.20 N ATOM 986 CZ ARG A 65 -7.689 5.425 13.596 1.00 2.25 C ATOM 987 NH1 ARG A 65 -7.876 4.988 12.358 1.00 1.87 N ATOM 988 NH2 ARG A 65 -8.675 5.335 14.476 1.00 3.12 N ATOM 0 H ARG A 65 -3.850 7.207 8.563 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.374 7.967 9.530 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -5.009 6.130 10.452 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.779 7.268 10.964 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.183 8.206 12.648 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.627 7.483 11.968 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -5.273 5.211 12.429 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -4.459 6.212 13.613 1.00 1.44 H new ATOM 0 HE ARG A 65 -6.390 6.239 14.925 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -7.119 5.046 11.677 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -8.777 4.594 12.087 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -8.536 5.661 15.433 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -9.573 4.940 14.197 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.943 10.115 10.041 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.636 11.475 10.475 1.00 0.88 C ATOM 1004 C GLU A 66 -4.530 12.501 9.783 1.00 0.89 C ATOM 1005 O GLU A 66 -4.999 13.448 10.407 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.172 11.813 10.188 1.00 0.90 C ATOM 1007 CG GLU A 66 -1.174 10.938 10.928 1.00 1.05 C ATOM 1008 CD GLU A 66 0.258 11.315 10.614 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.628 11.317 9.422 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.027 11.596 11.556 1.00 1.38 O ATOM 0 H GLU A 66 -3.166 9.635 9.588 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.820 11.519 11.548 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.993 11.722 9.117 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.992 12.855 10.454 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -1.344 11.024 12.001 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.340 9.894 10.661 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.767 12.306 8.495 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.590 13.237 7.729 1.00 0.87 C ATOM 1019 C ASN A 67 -7.011 12.718 7.561 1.00 0.89 C ATOM 1020 O ASN A 67 -7.801 13.299 6.818 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.969 13.493 6.353 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.861 14.526 6.396 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -4.100 15.723 6.236 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.638 14.069 6.601 1.00 1.09 N ATOM 0 H ASN A 67 -4.405 11.518 7.958 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.631 14.172 8.287 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.573 12.558 5.958 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.745 13.827 5.665 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.850 14.716 6.631 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.482 13.069 6.729 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.323 11.623 8.255 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.654 11.010 8.197 1.00 0.94 C ATOM 1033 C ASN A 68 -9.012 10.638 6.758 1.00 0.87 C ATOM 1034 O ASN A 68 -10.161 10.755 6.332 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.711 11.957 8.782 1.00 1.10 C ATOM 1036 CG ASN A 68 -9.457 12.299 10.238 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -8.723 13.238 10.555 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -10.063 11.544 11.140 1.00 2.18 N ATOM 0 H ASN A 68 -6.668 11.138 8.869 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.637 10.099 8.796 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.732 12.876 8.197 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.695 11.497 8.688 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -9.930 11.731 12.134 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -10.663 10.775 10.841 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.016 10.171 6.022 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.193 9.793 4.630 1.00 0.73 C ATOM 1047 C LEU A 69 -8.824 8.413 4.516 1.00 0.70 C ATOM 1048 O LEU A 69 -8.738 7.597 5.435 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.846 9.802 3.902 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.091 11.131 3.938 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.697 10.972 3.348 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.867 12.203 3.189 1.00 0.77 C ATOM 0 H LEU A 69 -7.066 10.044 6.371 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.859 10.521 4.167 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.211 9.031 4.338 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.013 9.526 2.861 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.989 11.440 4.978 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.176 11.929 3.383 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.140 10.234 3.925 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.776 10.639 2.313 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.316 13.143 3.224 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.999 11.898 2.151 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.843 12.337 3.654 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.463 8.169 3.387 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.097 6.890 3.122 1.00 0.70 C ATOM 1066 C LYS A 70 -9.198 6.079 2.205 1.00 0.62 C ATOM 1067 O LYS A 70 -8.699 6.594 1.203 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.476 7.095 2.492 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.536 7.561 3.478 1.00 0.80 C ATOM 1070 CD LYS A 70 -12.502 9.069 3.682 1.00 1.70 C ATOM 1071 CE LYS A 70 -13.322 9.486 4.894 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.558 9.334 6.163 1.00 3.05 N ATOM 0 H LYS A 70 -9.557 8.847 2.631 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.240 6.350 4.058 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.393 7.827 1.688 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.801 6.159 2.038 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.521 7.266 3.117 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.385 7.062 4.435 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -11.470 9.397 3.809 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.887 9.566 2.792 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.634 10.524 4.781 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -14.229 8.884 4.943 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -13.083 9.783 6.940 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -12.428 8.323 6.371 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -11.628 9.789 6.065 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.983 4.821 2.544 1.00 0.62 N ATOM 1087 CA ILE A 71 -8.099 3.975 1.760 1.00 0.57 C ATOM 1088 C ILE A 71 -8.857 2.948 0.926 1.00 0.56 C ATOM 1089 O ILE A 71 -9.774 2.279 1.407 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.087 3.227 2.659 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.503 4.173 3.714 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.972 2.620 1.816 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.652 3.472 4.749 1.00 0.86 C ATOM 0 H ILE A 71 -9.405 4.364 3.352 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.570 4.650 1.087 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.613 2.421 3.171 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.902 4.933 3.216 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -7.319 4.691 4.217 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.269 2.097 2.465 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.398 1.916 1.101 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.450 3.412 1.278 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -5.272 4.203 5.463 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -6.255 2.731 5.274 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.815 2.977 4.257 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.462 2.852 -0.332 1.00 0.53 N ATOM 1106 CA ILE A 72 -9.020 1.894 -1.271 1.00 0.54 C ATOM 1107 C ILE A 72 -7.861 1.264 -2.027 1.00 0.50 C ATOM 1108 O ILE A 72 -6.989 1.971 -2.525 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.012 2.537 -2.267 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.683 4.019 -2.487 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.440 2.370 -1.769 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.507 4.669 -3.575 1.00 0.99 C ATOM 0 H ILE A 72 -7.736 3.444 -0.735 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.588 1.150 -0.713 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.917 2.027 -3.226 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.839 4.559 -1.553 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.626 4.114 -2.738 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.129 2.827 -2.479 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.670 1.309 -1.672 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.546 2.854 -0.798 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.219 5.716 -3.673 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.333 4.154 -4.520 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.564 4.606 -3.317 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.825 -0.050 -2.106 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.719 -0.712 -2.768 1.00 0.43 C ATOM 1126 C ALA A 73 -7.179 -1.691 -3.830 1.00 0.43 C ATOM 1127 O ALA A 73 -7.974 -2.592 -3.558 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.853 -1.423 -1.741 1.00 0.50 C ATOM 0 H ALA A 73 -8.537 -0.674 -1.726 1.00 0.44 H new ATOM 0 HA ALA A 73 -6.137 0.058 -3.274 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.023 -1.919 -2.245 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.463 -0.696 -1.029 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.451 -2.165 -1.212 1.00 0.50 H new ATOM 1134 N SER A 74 -6.690 -1.491 -5.043 1.00 0.48 N ATOM 1135 CA SER A 74 -7.003 -2.378 -6.148 1.00 0.53 C ATOM 1136 C SER A 74 -5.998 -3.521 -6.144 1.00 0.46 C ATOM 1137 O SER A 74 -6.262 -4.618 -6.640 1.00 0.55 O ATOM 1138 CB SER A 74 -6.946 -1.609 -7.464 1.00 0.69 C ATOM 1139 OG SER A 74 -7.598 -0.355 -7.340 1.00 0.94 O ATOM 0 H SER A 74 -6.071 -0.717 -5.287 1.00 0.48 H new ATOM 0 HA SER A 74 -8.010 -2.780 -6.039 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.907 -1.457 -7.758 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.418 -2.194 -8.253 1.00 0.69 H new ATOM 0 HG SER A 74 -7.550 0.125 -8.193 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.839 -3.238 -5.561 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.770 -4.211 -5.437 1.00 0.48 C ATOM 1147 C CYS A 75 -4.190 -5.316 -4.475 1.00 0.45 C ATOM 1148 O CYS A 75 -4.424 -5.062 -3.292 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.499 -3.517 -4.937 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.162 -4.636 -4.472 1.00 1.31 S ATOM 0 H CYS A 75 -4.618 -2.326 -5.162 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.566 -4.656 -6.411 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.138 -2.845 -5.716 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.754 -2.899 -4.076 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.118 -4.393 -5.207 1.00 1.31 H new ATOM 1156 N SER A 76 -4.289 -6.535 -4.997 1.00 0.57 N ATOM 1157 CA SER A 76 -4.695 -7.697 -4.210 1.00 0.64 C ATOM 1158 C SER A 76 -3.801 -7.892 -2.985 1.00 0.61 C ATOM 1159 O SER A 76 -4.272 -8.292 -1.921 1.00 0.61 O ATOM 1160 CB SER A 76 -4.667 -8.946 -5.096 1.00 0.82 C ATOM 1161 OG SER A 76 -5.137 -8.643 -6.402 1.00 1.12 O ATOM 0 H SER A 76 -4.091 -6.746 -5.975 1.00 0.57 H new ATOM 0 HA SER A 76 -5.708 -7.527 -3.846 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.651 -9.337 -5.151 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.285 -9.727 -4.653 1.00 0.82 H new ATOM 0 HG SER A 76 -5.111 -9.452 -6.955 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.518 -7.583 -3.134 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.563 -7.727 -2.042 1.00 0.62 C ATOM 1169 C PHE A 77 -1.920 -6.798 -0.886 1.00 0.55 C ATOM 1170 O PHE A 77 -2.074 -7.238 0.255 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.147 -7.425 -2.538 1.00 0.68 C ATOM 1172 CG PHE A 77 0.911 -7.612 -1.489 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.293 -8.883 -1.097 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.523 -6.520 -0.898 1.00 0.77 C ATOM 1175 CE1 PHE A 77 2.264 -9.061 -0.133 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.498 -6.691 0.067 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.869 -7.966 0.452 1.00 0.95 C ATOM 0 H PHE A 77 -2.115 -7.231 -4.002 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.604 -8.756 -1.684 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.077 -8.071 -3.387 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.110 -6.398 -2.901 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.826 -9.745 -1.550 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.235 -5.522 -1.194 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.551 -10.059 0.165 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.969 -5.831 0.519 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.629 -8.105 1.207 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.066 -5.513 -1.195 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.401 -4.516 -0.188 1.00 0.46 C ATOM 1189 C ALA A 78 -3.783 -4.780 0.393 1.00 0.44 C ATOM 1190 O ALA A 78 -3.978 -4.713 1.606 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.332 -3.118 -0.782 1.00 0.47 C ATOM 0 H ALA A 78 -1.957 -5.139 -2.138 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.672 -4.587 0.619 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.585 -2.385 -0.016 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.323 -2.927 -1.148 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -3.038 -3.038 -1.608 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.728 -5.095 -0.486 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.102 -5.386 -0.087 1.00 0.47 C ATOM 1199 C LYS A 79 -6.129 -6.529 0.926 1.00 0.52 C ATOM 1200 O LYS A 79 -6.833 -6.470 1.935 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.923 -5.746 -1.332 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.329 -6.248 -1.047 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.028 -6.655 -2.336 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.405 -7.250 -2.083 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.341 -6.271 -1.472 1.00 1.27 N ATOM 0 H LYS A 79 -4.565 -5.156 -1.491 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.538 -4.506 0.386 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.990 -4.867 -1.972 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.387 -6.510 -1.895 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.286 -7.099 -0.367 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.904 -5.469 -0.546 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.124 -5.785 -2.985 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.413 -7.382 -2.867 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.822 -7.608 -3.024 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -10.309 -8.115 -1.427 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.271 -6.347 -1.931 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.439 -6.472 -0.456 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.969 -5.308 -1.600 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.328 -7.551 0.660 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.249 -8.718 1.528 1.00 0.64 C ATOM 1221 C HIS A 80 -4.715 -8.358 2.915 1.00 0.60 C ATOM 1222 O HIS A 80 -5.218 -8.849 3.922 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.361 -9.791 0.886 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.202 -11.037 1.706 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.226 -11.933 1.929 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.122 -11.536 2.354 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -4.782 -12.928 2.674 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -3.508 -12.710 2.944 1.00 1.13 N ATOM 0 H HIS A 80 -4.719 -7.595 -0.157 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.259 -9.108 1.652 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.781 -10.060 -0.083 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.375 -9.365 0.700 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -2.139 -11.091 2.397 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -5.362 -13.776 3.006 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -2.908 -13.318 3.502 1.00 1.13 H new ATOM 1237 N MET A 81 -3.705 -7.499 2.971 1.00 0.58 N ATOM 1238 CA MET A 81 -3.116 -7.118 4.252 1.00 0.59 C ATOM 1239 C MET A 81 -3.981 -6.101 4.992 1.00 0.54 C ATOM 1240 O MET A 81 -4.022 -6.095 6.221 1.00 0.58 O ATOM 1241 CB MET A 81 -1.705 -6.559 4.061 1.00 0.64 C ATOM 1242 CG MET A 81 -0.692 -7.156 5.027 1.00 1.25 C ATOM 1243 SD MET A 81 0.840 -6.206 5.132 1.00 1.51 S ATOM 1244 CE MET A 81 1.229 -5.974 3.398 1.00 1.09 C ATOM 0 H MET A 81 -3.280 -7.057 2.156 1.00 0.58 H new ATOM 0 HA MET A 81 -3.060 -8.022 4.859 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.380 -6.750 3.038 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.728 -5.477 4.191 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.140 -7.221 6.019 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.459 -8.174 4.715 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.204 -5.496 3.305 1.00 1.09 H new ATOM 0 HE2 MET A 81 1.249 -6.942 2.897 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.470 -5.342 2.936 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.668 -5.249 4.245 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.530 -4.238 4.846 1.00 0.51 C ATOM 1256 C LEU A 82 -6.759 -4.885 5.476 1.00 0.56 C ATOM 1257 O LEU A 82 -7.216 -4.469 6.538 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.941 -3.198 3.801 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.862 -2.164 3.466 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.152 -1.492 2.135 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.758 -1.126 4.573 1.00 0.49 C ATOM 0 H LEU A 82 -4.647 -5.236 3.225 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.972 -3.732 5.634 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.225 -3.716 2.885 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.828 -2.675 4.159 1.00 0.53 H new ATOM 0 HG LEU A 82 -3.907 -2.683 3.385 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.372 -0.762 1.919 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.175 -2.243 1.346 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.117 -0.988 2.185 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.987 -0.399 4.319 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.715 -0.616 4.685 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.498 -1.618 5.510 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.282 -5.908 4.818 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.448 -6.625 5.316 1.00 0.70 C ATOM 1275 C GLU A 83 -8.037 -7.693 6.324 1.00 0.68 C ATOM 1276 O GLU A 83 -8.874 -8.220 7.056 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.220 -7.261 4.163 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.944 -6.250 3.288 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.770 -6.903 2.201 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -11.360 -7.976 2.459 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.837 -6.353 1.087 1.00 1.45 O ATOM 0 H GLU A 83 -6.916 -6.262 3.934 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.097 -5.907 5.818 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.529 -7.835 3.546 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.946 -7.966 4.567 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.593 -5.635 3.912 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -9.214 -5.582 2.832 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.741 -8.010 6.337 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.179 -9.013 7.244 1.00 0.69 C ATOM 1290 C LYS A 84 -6.584 -8.740 8.689 1.00 0.68 C ATOM 1291 O LYS A 84 -6.913 -9.659 9.443 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.645 -9.022 7.116 1.00 0.76 C ATOM 1293 CG LYS A 84 -3.909 -9.660 8.287 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.402 -9.490 8.149 1.00 1.43 C ATOM 1295 CE LYS A 84 -1.666 -9.987 9.383 1.00 1.94 C ATOM 1296 NZ LYS A 84 -0.909 -8.895 10.051 1.00 2.33 N ATOM 0 H LYS A 84 -6.052 -7.579 5.720 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.574 -9.990 6.965 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.374 -9.552 6.203 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.298 -7.995 7.003 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.245 -9.208 9.220 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.155 -10.721 8.340 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.053 -10.036 7.272 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.168 -8.438 7.984 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.381 -10.416 10.085 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -0.980 -10.785 9.100 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -0.129 -9.302 10.605 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -0.524 -8.250 9.332 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -1.545 -8.369 10.684 1.00 2.33 H new ATOM 1310 N GLU A 85 -6.566 -7.474 9.066 1.00 0.84 N ATOM 1311 CA GLU A 85 -6.934 -7.075 10.410 1.00 0.96 C ATOM 1312 C GLU A 85 -8.017 -6.010 10.364 1.00 0.93 C ATOM 1313 O GLU A 85 -7.993 -5.119 9.513 1.00 0.86 O ATOM 1314 CB GLU A 85 -5.711 -6.564 11.177 1.00 1.07 C ATOM 1315 CG GLU A 85 -4.614 -6.009 10.284 1.00 1.07 C ATOM 1316 CD GLU A 85 -3.236 -6.188 10.884 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.845 -7.339 11.159 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -2.528 -5.174 11.076 1.00 1.60 O ATOM 0 H GLU A 85 -6.299 -6.702 8.456 1.00 0.84 H new ATOM 0 HA GLU A 85 -7.324 -7.947 10.935 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -6.029 -5.787 11.872 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -5.302 -7.379 11.775 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -4.652 -6.506 9.314 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.795 -4.949 10.107 1.00 1.07 H new ATOM 1325 N ASP A 86 -8.959 -6.098 11.289 1.00 1.07 N ATOM 1326 CA ASP A 86 -10.061 -5.144 11.356 1.00 1.10 C ATOM 1327 C ASP A 86 -9.577 -3.801 11.882 1.00 1.02 C ATOM 1328 O ASP A 86 -10.335 -2.836 11.944 1.00 0.99 O ATOM 1329 CB ASP A 86 -11.188 -5.676 12.243 1.00 1.36 C ATOM 1330 CG ASP A 86 -12.487 -5.860 11.484 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -12.623 -6.861 10.747 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -13.381 -4.993 11.613 1.00 2.27 O ATOM 0 H ASP A 86 -8.985 -6.822 12.007 1.00 1.07 H new ATOM 0 HA ASP A 86 -10.448 -5.008 10.346 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -10.886 -6.630 12.676 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -11.350 -4.987 13.072 1.00 1.36 H new ATOM 1337 N SER A 87 -8.301 -3.742 12.243 1.00 1.05 N ATOM 1338 CA SER A 87 -7.695 -2.522 12.755 1.00 1.08 C ATOM 1339 C SER A 87 -7.587 -1.466 11.654 1.00 0.93 C ATOM 1340 O SER A 87 -7.288 -0.302 11.921 1.00 0.97 O ATOM 1341 CB SER A 87 -6.310 -2.839 13.316 1.00 1.27 C ATOM 1342 OG SER A 87 -6.309 -4.096 13.975 1.00 1.46 O ATOM 0 H SER A 87 -7.661 -4.535 12.189 1.00 1.05 H new ATOM 0 HA SER A 87 -8.327 -2.122 13.548 1.00 1.08 H new ATOM 0 HB2 SER A 87 -5.578 -2.846 12.508 1.00 1.27 H new ATOM 0 HB3 SER A 87 -6.007 -2.058 14.013 1.00 1.27 H new ATOM 0 HG SER A 87 -5.413 -4.281 14.325 1.00 1.46 H new ATOM 1348 N TYR A 88 -7.821 -1.885 10.415 1.00 0.91 N ATOM 1349 CA TYR A 88 -7.758 -0.981 9.280 1.00 0.88 C ATOM 1350 C TYR A 88 -9.125 -0.842 8.621 1.00 0.89 C ATOM 1351 O TYR A 88 -9.241 -0.267 7.546 1.00 0.80 O ATOM 1352 CB TYR A 88 -6.752 -1.489 8.242 1.00 0.93 C ATOM 1353 CG TYR A 88 -5.316 -1.515 8.712 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -4.785 -0.478 9.467 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -4.484 -2.578 8.384 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -3.466 -0.500 9.885 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -3.167 -2.607 8.794 1.00 0.97 C ATOM 1358 CZ TYR A 88 -2.662 -1.567 9.544 1.00 0.93 C ATOM 1359 OH TYR A 88 -1.344 -1.590 9.948 1.00 1.00 O ATOM 0 H TYR A 88 -8.056 -2.848 10.174 1.00 0.91 H new ATOM 0 HA TYR A 88 -7.438 -0.007 9.651 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -7.039 -2.496 7.941 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -6.818 -0.860 7.354 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -5.412 0.360 9.733 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -4.875 -3.396 7.798 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -3.069 0.313 10.474 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -2.535 -3.441 8.528 1.00 0.97 H new ATOM 0 HH TYR A 88 -0.917 -2.411 9.626 1.00 1.00 H new ATOM 1369 N GLN A 89 -10.168 -1.339 9.277 1.00 1.08 N ATOM 1370 CA GLN A 89 -11.514 -1.292 8.714 1.00 1.18 C ATOM 1371 C GLN A 89 -12.102 0.120 8.756 1.00 1.16 C ATOM 1372 O GLN A 89 -12.975 0.461 7.958 1.00 1.26 O ATOM 1373 CB GLN A 89 -12.427 -2.269 9.458 1.00 1.43 C ATOM 1374 CG GLN A 89 -13.845 -2.336 8.908 1.00 1.61 C ATOM 1375 CD GLN A 89 -13.900 -2.778 7.457 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -13.806 -1.961 6.542 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -14.072 -4.070 7.236 1.00 2.33 N ATOM 0 H GLN A 89 -10.109 -1.778 10.196 1.00 1.08 H new ATOM 0 HA GLN A 89 -11.445 -1.586 7.667 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -11.986 -3.265 9.417 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -12.469 -1.982 10.509 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -14.431 -3.026 9.514 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -14.311 -1.355 9.001 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -14.145 -4.716 8.022 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -14.131 -4.420 6.280 1.00 2.33 H new ATOM 1386 N ASP A 90 -11.624 0.946 9.676 1.00 1.11 N ATOM 1387 CA ASP A 90 -12.136 2.310 9.788 1.00 1.17 C ATOM 1388 C ASP A 90 -11.497 3.225 8.744 1.00 1.09 C ATOM 1389 O ASP A 90 -12.133 4.159 8.260 1.00 1.33 O ATOM 1390 CB ASP A 90 -11.932 2.874 11.202 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.531 3.404 11.447 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -9.574 2.600 11.452 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -10.384 4.626 11.655 1.00 2.03 O ATOM 0 H ASP A 90 -10.895 0.704 10.347 1.00 1.11 H new ATOM 0 HA ASP A 90 -13.208 2.271 9.597 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -12.650 3.676 11.371 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -12.149 2.093 11.931 1.00 1.18 H new ATOM 1398 N VAL A 91 -10.255 2.940 8.380 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.549 3.747 7.390 1.00 0.79 C ATOM 1400 C VAL A 91 -9.699 3.166 5.986 1.00 0.73 C ATOM 1401 O VAL A 91 -9.892 3.898 5.017 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.047 3.895 7.723 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.836 4.973 8.769 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.450 2.576 8.196 1.00 0.78 C ATOM 0 H VAL A 91 -9.715 2.159 8.753 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.009 4.735 7.420 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.533 4.188 6.808 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.772 5.062 8.990 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.209 5.925 8.391 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.375 4.708 9.679 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.393 2.715 8.422 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.971 2.241 9.093 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.558 1.826 7.412 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.613 1.848 5.881 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.742 1.173 4.602 1.00 0.71 C ATOM 1416 C TYR A 92 -11.187 0.760 4.372 1.00 0.80 C ATOM 1417 O TYR A 92 -11.871 0.314 5.293 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.817 -0.051 4.554 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.929 -0.863 3.282 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.431 -0.378 2.081 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.534 -2.113 3.282 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -8.533 -1.112 0.918 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.639 -2.853 2.118 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.135 -2.347 0.942 1.00 1.02 C ATOM 1425 OH TYR A 92 -9.237 -3.076 -0.219 1.00 1.14 O ATOM 0 H TYR A 92 -9.454 1.224 6.672 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.448 1.860 3.808 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.786 0.282 4.670 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.041 -0.695 5.404 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -7.955 0.591 2.057 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.928 -2.513 4.204 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -8.141 -0.718 -0.008 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.114 -3.823 2.132 1.00 1.02 H new ATOM 0 HH TYR A 92 -8.484 -2.860 -0.808 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.657 0.924 3.148 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.024 0.562 2.802 1.00 0.84 C ATOM 1437 C LEU A 93 -13.114 -0.934 2.519 1.00 1.05 C ATOM 1438 O LEU A 93 -13.354 -1.355 1.384 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.507 1.375 1.592 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.915 2.828 1.889 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -12.718 3.665 2.317 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -14.583 3.452 0.674 1.00 1.42 C ATOM 0 H LEU A 93 -11.113 1.306 2.375 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.673 0.795 3.646 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.715 1.385 0.843 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.359 0.861 1.148 1.00 0.87 H new ATOM 0 HG LEU A 93 -14.626 2.810 2.715 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.042 4.686 2.519 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -12.279 3.238 3.219 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -11.975 3.671 1.520 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -14.865 4.480 0.902 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -13.889 3.444 -0.167 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -15.474 2.880 0.415 1.00 1.42 H new