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 37 ASN : amide:sc= 1.01 X(o=1.6,f=2) USER MOD Set 1.2: A 74 SER OG : rot 33:sc= 0.591 USER MOD Set 2.1: A 41 THR OG1 : rot 101:sc= 1.19 USER MOD Set 2.2: A 75 CYS SG : rot -70:sc= -1.96! USER MOD Set 3.1: A 7 LYS NZ :NH3+ -144:sc= 1.21 (180deg=-0.162) USER MOD Set 3.2: A 14 TYR OH : rot -92:sc= 2.38 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.13 K(o=1.1,f=0.015) USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 2.35 (180deg=2.14) USER MOD Single : A 20 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.9) USER MOD Single : A 21 ASN : amide:sc= -0.878 K(o=-0.88,f=-4.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 28 TYR OH : rot 154:sc= 0.318 USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.052) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 40 HIS : no HD1:sc=-0.00402 X(o=-0.004,f=0) 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+ -155:sc= 1.23 (180deg=0.397) USER MOD Single : A 63 HIS : no HE2:sc= 0.907 K(o=0.91,f=-5.2!) USER MOD Single : A 67 ASN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0.99 (180deg=0.834) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.01) USER MOD Single : A 80 HIS : no HE2:sc= 1 K(o=1,f=-4.9!) USER MOD Single : A 81 MET CE :methyl 170:sc= -1.2 (180deg=-1.38) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 1.54 (180deg=1.52) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.235 X(o=0.23,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.696 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.412 1.940 4.025 1.00 1.13 N ATOM 65 CA GLU A 5 15.765 3.217 4.285 1.00 1.19 C ATOM 66 C GLU A 5 14.497 3.350 3.452 1.00 1.05 C ATOM 67 O GLU A 5 14.496 3.038 2.261 1.00 1.01 O ATOM 68 CB GLU A 5 16.713 4.377 3.968 1.00 1.48 C ATOM 69 CG GLU A 5 17.759 4.632 5.043 1.00 1.61 C ATOM 70 CD GLU A 5 17.162 5.176 6.326 1.00 2.22 C ATOM 71 OE1 GLU A 5 16.693 4.373 7.158 1.00 2.91 O ATOM 72 OE2 GLU A 5 17.166 6.411 6.512 1.00 2.57 O ATOM 0 HA GLU A 5 15.503 3.254 5.342 1.00 1.19 H new ATOM 0 HB2 GLU A 5 17.219 4.172 3.025 1.00 1.48 H new ATOM 0 HB3 GLU A 5 16.126 5.284 3.824 1.00 1.48 H new ATOM 0 HG2 GLU A 5 18.286 3.703 5.258 1.00 1.61 H new ATOM 0 HG3 GLU A 5 18.498 5.337 4.664 1.00 1.61 H new ATOM 79 N ILE A 6 13.416 3.797 4.080 1.00 1.00 N ATOM 80 CA ILE A 6 12.158 3.983 3.376 1.00 0.88 C ATOM 81 C ILE A 6 12.248 5.214 2.483 1.00 0.86 C ATOM 82 O ILE A 6 12.045 6.345 2.932 1.00 0.90 O ATOM 83 CB ILE A 6 10.959 4.123 4.340 1.00 0.86 C ATOM 84 CG1 ILE A 6 10.888 2.913 5.278 1.00 0.94 C ATOM 85 CG2 ILE A 6 9.660 4.271 3.555 1.00 0.79 C ATOM 86 CD1 ILE A 6 9.672 2.907 6.179 1.00 0.92 C ATOM 0 H ILE A 6 13.387 4.036 5.071 1.00 1.00 H new ATOM 0 HA ILE A 6 11.986 3.092 2.772 1.00 0.88 H new ATOM 0 HB ILE A 6 11.099 5.020 4.943 1.00 0.86 H new ATOM 0 HG12 ILE A 6 10.890 2.002 4.680 1.00 0.94 H new ATOM 0 HG13 ILE A 6 11.786 2.891 5.896 1.00 0.94 H new ATOM 0 HG21 ILE A 6 8.825 4.369 4.249 1.00 0.79 H new ATOM 0 HG22 ILE A 6 9.714 5.159 2.925 1.00 0.79 H new ATOM 0 HG23 ILE A 6 9.511 3.391 2.929 1.00 0.79 H new ATOM 0 HD11 ILE A 6 9.693 2.020 6.813 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.678 3.800 6.804 1.00 0.92 H new ATOM 0 HD13 ILE A 6 8.768 2.897 5.570 1.00 0.92 H new ATOM 98 N LYS A 7 12.588 4.982 1.228 1.00 0.86 N ATOM 99 CA LYS A 7 12.723 6.053 0.261 1.00 0.89 C ATOM 100 C LYS A 7 11.359 6.534 -0.195 1.00 0.79 C ATOM 101 O LYS A 7 10.526 5.742 -0.640 1.00 0.74 O ATOM 102 CB LYS A 7 13.538 5.583 -0.943 1.00 0.99 C ATOM 103 CG LYS A 7 15.005 5.329 -0.635 1.00 1.10 C ATOM 104 CD LYS A 7 15.763 6.622 -0.385 1.00 1.61 C ATOM 105 CE LYS A 7 15.707 7.552 -1.588 1.00 1.77 C ATOM 106 NZ LYS A 7 16.252 6.913 -2.814 1.00 2.23 N ATOM 0 H LYS A 7 12.777 4.052 0.854 1.00 0.86 H new ATOM 0 HA LYS A 7 13.245 6.882 0.740 1.00 0.89 H new ATOM 0 HB2 LYS A 7 13.095 4.667 -1.333 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.467 6.332 -1.732 1.00 0.99 H new ATOM 0 HG2 LYS A 7 15.086 4.685 0.241 1.00 1.10 H new ATOM 0 HG3 LYS A 7 15.463 4.794 -1.467 1.00 1.10 H new ATOM 0 HD2 LYS A 7 15.343 7.127 0.485 1.00 1.61 H new ATOM 0 HD3 LYS A 7 16.803 6.394 -0.150 1.00 1.61 H new ATOM 0 HE2 LYS A 7 14.675 7.853 -1.765 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.271 8.459 -1.371 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.755 7.624 -3.382 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.911 6.154 -2.546 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 15.472 6.512 -3.373 1.00 2.23 H new ATOM 120 N GLN A 8 11.130 7.829 -0.075 1.00 0.81 N ATOM 121 CA GLN A 8 9.866 8.414 -0.484 1.00 0.78 C ATOM 122 C GLN A 8 9.997 9.039 -1.867 1.00 0.90 C ATOM 123 O GLN A 8 10.830 9.919 -2.094 1.00 1.15 O ATOM 124 CB GLN A 8 9.386 9.448 0.534 1.00 0.93 C ATOM 125 CG GLN A 8 10.453 10.447 0.942 1.00 1.29 C ATOM 126 CD GLN A 8 10.096 11.179 2.220 1.00 1.76 C ATOM 127 OE1 GLN A 8 10.427 10.727 3.319 1.00 2.52 O ATOM 128 NE2 GLN A 8 9.410 12.302 2.087 1.00 1.94 N ATOM 0 H GLN A 8 11.803 8.496 0.303 1.00 0.81 H new ATOM 0 HA GLN A 8 9.120 7.620 -0.530 1.00 0.78 H new ATOM 0 HB2 GLN A 8 8.536 9.988 0.116 1.00 0.93 H new ATOM 0 HB3 GLN A 8 9.028 8.929 1.423 1.00 0.93 H new ATOM 0 HG2 GLN A 8 11.402 9.928 1.076 1.00 1.29 H new ATOM 0 HG3 GLN A 8 10.596 11.170 0.139 1.00 1.29 H new ATOM 0 HE21 GLN A 8 9.158 12.639 1.158 1.00 1.94 H new ATOM 0 HE22 GLN A 8 9.133 12.832 2.914 1.00 1.94 H new ATOM 137 N GLY A 9 9.192 8.558 -2.791 1.00 0.87 N ATOM 138 CA GLY A 9 9.217 9.068 -4.144 1.00 1.04 C ATOM 139 C GLY A 9 7.917 9.748 -4.506 1.00 0.71 C ATOM 140 O GLY A 9 7.128 10.085 -3.618 1.00 0.83 O ATOM 0 H GLY A 9 8.513 7.815 -2.629 1.00 0.87 H new ATOM 0 HA2 GLY A 9 10.040 9.774 -4.252 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.406 8.250 -4.839 1.00 1.04 H new ATOM 144 N GLU A 10 7.693 9.930 -5.804 1.00 1.04 N ATOM 145 CA GLU A 10 6.487 10.575 -6.314 1.00 0.82 C ATOM 146 C GLU A 10 5.234 9.800 -5.899 1.00 0.70 C ATOM 147 O GLU A 10 4.808 8.872 -6.591 1.00 0.72 O ATOM 148 CB GLU A 10 6.570 10.677 -7.839 1.00 0.79 C ATOM 149 CG GLU A 10 5.807 11.855 -8.426 1.00 1.82 C ATOM 150 CD GLU A 10 4.307 11.672 -8.349 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.762 10.853 -9.119 1.00 2.65 O ATOM 152 OE2 GLU A 10 3.668 12.354 -7.521 1.00 3.19 O ATOM 0 H GLU A 10 8.343 9.634 -6.533 1.00 1.04 H new ATOM 0 HA GLU A 10 6.417 11.576 -5.887 1.00 0.82 H new ATOM 0 HB2 GLU A 10 7.617 10.755 -8.131 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.185 9.755 -8.275 1.00 0.79 H new ATOM 0 HG2 GLU A 10 6.086 12.765 -7.895 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.100 11.991 -9.467 1.00 1.82 H new ATOM 159 N ASN A 11 4.664 10.188 -4.754 1.00 0.63 N ATOM 160 CA ASN A 11 3.461 9.553 -4.207 1.00 0.59 C ATOM 161 C ASN A 11 3.634 8.038 -4.104 1.00 0.47 C ATOM 162 O ASN A 11 2.707 7.268 -4.372 1.00 0.44 O ATOM 163 CB ASN A 11 2.231 9.889 -5.055 1.00 0.71 C ATOM 164 CG ASN A 11 1.584 11.201 -4.660 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.792 11.257 -3.720 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.908 12.265 -5.379 1.00 1.38 N ATOM 0 H ASN A 11 5.023 10.951 -4.180 1.00 0.63 H new ATOM 0 HA ASN A 11 3.309 9.949 -3.203 1.00 0.59 H new ATOM 0 HB2 ASN A 11 2.521 9.934 -6.105 1.00 0.71 H new ATOM 0 HB3 ASN A 11 1.500 9.086 -4.960 1.00 0.71 H new ATOM 0 HD21 ASN A 11 1.497 13.172 -5.161 1.00 1.38 H new ATOM 0 HD22 ASN A 11 2.569 12.177 -6.151 1.00 1.38 H new ATOM 173 N LYS A 12 4.830 7.617 -3.713 1.00 0.45 N ATOM 174 CA LYS A 12 5.129 6.201 -3.575 1.00 0.43 C ATOM 175 C LYS A 12 6.265 5.980 -2.586 1.00 0.46 C ATOM 176 O LYS A 12 7.070 6.876 -2.340 1.00 0.55 O ATOM 177 CB LYS A 12 5.510 5.596 -4.934 1.00 0.50 C ATOM 178 CG LYS A 12 6.830 6.112 -5.490 1.00 0.65 C ATOM 179 CD LYS A 12 7.490 5.096 -6.413 1.00 0.59 C ATOM 180 CE LYS A 12 8.872 5.562 -6.844 1.00 0.73 C ATOM 181 NZ LYS A 12 9.569 4.566 -7.700 1.00 0.94 N ATOM 0 H LYS A 12 5.607 8.237 -3.486 1.00 0.45 H new ATOM 0 HA LYS A 12 4.233 5.707 -3.200 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.568 4.512 -4.835 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.717 5.809 -5.651 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.657 7.040 -6.035 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.504 6.347 -4.667 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.569 4.136 -5.904 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.865 4.940 -7.292 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.781 6.503 -7.387 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.477 5.762 -5.959 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.542 4.885 -7.882 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.591 3.646 -7.215 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 9.062 4.469 -8.603 1.00 0.94 H new ATOM 195 N PHE A 13 6.316 4.790 -2.019 1.00 0.46 N ATOM 196 CA PHE A 13 7.361 4.431 -1.076 1.00 0.50 C ATOM 197 C PHE A 13 8.081 3.200 -1.594 1.00 0.50 C ATOM 198 O PHE A 13 7.440 2.220 -1.974 1.00 0.46 O ATOM 199 CB PHE A 13 6.781 4.154 0.314 1.00 0.51 C ATOM 200 CG PHE A 13 6.319 5.383 1.045 1.00 0.53 C ATOM 201 CD1 PHE A 13 7.234 6.301 1.534 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.969 5.613 1.254 1.00 0.54 C ATOM 203 CE1 PHE A 13 6.811 7.425 2.214 1.00 0.69 C ATOM 204 CE2 PHE A 13 4.541 6.735 1.935 1.00 0.59 C ATOM 205 CZ PHE A 13 5.463 7.643 2.416 1.00 0.65 C ATOM 0 H PHE A 13 5.639 4.048 -2.197 1.00 0.46 H new ATOM 0 HA PHE A 13 8.058 5.264 -0.983 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.941 3.467 0.214 1.00 0.51 H new ATOM 0 HB3 PHE A 13 7.536 3.649 0.916 1.00 0.51 H new ATOM 0 HD1 PHE A 13 8.290 6.135 1.381 1.00 0.63 H new ATOM 0 HD2 PHE A 13 4.243 4.906 0.880 1.00 0.54 H new ATOM 0 HE1 PHE A 13 7.535 8.134 2.588 1.00 0.69 H new ATOM 0 HE2 PHE A 13 3.486 6.902 2.091 1.00 0.59 H new ATOM 0 HZ PHE A 13 5.130 8.522 2.949 1.00 0.65 H new ATOM 215 N TYR A 14 9.401 3.249 -1.637 1.00 0.60 N ATOM 216 CA TYR A 14 10.171 2.121 -2.134 1.00 0.64 C ATOM 217 C TYR A 14 11.460 1.952 -1.348 1.00 0.69 C ATOM 218 O TYR A 14 12.003 2.910 -0.802 1.00 0.75 O ATOM 219 CB TYR A 14 10.479 2.290 -3.629 1.00 0.67 C ATOM 220 CG TYR A 14 11.532 3.332 -3.937 1.00 0.78 C ATOM 221 CD1 TYR A 14 11.253 4.689 -3.820 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.804 2.958 -4.344 1.00 0.93 C ATOM 223 CE1 TYR A 14 12.212 5.641 -4.102 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.770 3.904 -4.626 1.00 1.04 C ATOM 225 CZ TYR A 14 13.465 5.251 -4.501 1.00 1.03 C ATOM 226 OH TYR A 14 14.433 6.190 -4.783 1.00 1.16 O ATOM 0 H TYR A 14 9.958 4.049 -1.337 1.00 0.60 H new ATOM 0 HA TYR A 14 9.569 1.222 -2.002 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.806 1.331 -4.031 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.559 2.556 -4.149 1.00 0.67 H new ATOM 0 HD1 TYR A 14 10.270 5.004 -3.503 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.043 1.909 -4.442 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.976 6.691 -4.009 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.756 3.597 -4.942 1.00 1.04 H new ATOM 0 HH TYR A 14 14.414 6.402 -5.740 1.00 1.16 H new ATOM 236 N ILE A 15 11.925 0.722 -1.273 1.00 0.71 N ATOM 237 CA ILE A 15 13.155 0.410 -0.574 1.00 0.78 C ATOM 238 C ILE A 15 14.043 -0.430 -1.476 1.00 0.92 C ATOM 239 O ILE A 15 13.637 -1.501 -1.926 1.00 0.92 O ATOM 240 CB ILE A 15 12.894 -0.352 0.744 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.901 0.415 1.620 1.00 0.67 C ATOM 242 CG2 ILE A 15 14.201 -0.576 1.496 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.478 -0.333 2.865 1.00 0.71 C ATOM 0 H ILE A 15 11.464 -0.086 -1.692 1.00 0.71 H new ATOM 0 HA ILE A 15 13.645 1.350 -0.322 1.00 0.78 H new ATOM 0 HB ILE A 15 12.462 -1.323 0.501 1.00 0.73 H new ATOM 0 HG12 ILE A 15 12.348 1.365 1.913 1.00 0.67 H new ATOM 0 HG13 ILE A 15 11.015 0.648 1.029 1.00 0.67 H new ATOM 0 HG21 ILE A 15 14.000 -1.114 2.422 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.881 -1.161 0.877 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.657 0.387 1.727 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.774 0.275 3.433 1.00 0.71 H new ATOM 0 HD12 ILE A 15 11.000 -1.271 2.581 1.00 0.71 H new ATOM 0 HD13 ILE A 15 12.354 -0.543 3.479 1.00 0.71 H new ATOM 255 N GLY A 16 15.234 0.069 -1.765 1.00 1.09 N ATOM 256 CA GLY A 16 16.152 -0.650 -2.617 1.00 1.26 C ATOM 257 C GLY A 16 17.462 0.084 -2.779 1.00 1.42 C ATOM 258 O GLY A 16 17.593 1.232 -2.346 1.00 1.52 O ATOM 0 H GLY A 16 15.581 0.964 -1.422 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.339 -1.638 -2.197 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.697 -0.801 -3.596 1.00 1.26 H new ATOM 262 N ASP A 17 18.427 -0.573 -3.409 1.00 1.55 N ATOM 263 CA ASP A 17 19.742 0.015 -3.631 1.00 1.74 C ATOM 264 C ASP A 17 19.672 1.099 -4.703 1.00 1.66 C ATOM 265 O ASP A 17 20.449 2.051 -4.694 1.00 1.78 O ATOM 266 CB ASP A 17 20.730 -1.075 -4.048 1.00 1.95 C ATOM 267 CG ASP A 17 22.161 -0.581 -4.110 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.787 -0.432 -3.043 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.652 -0.314 -5.229 1.00 2.14 O ATOM 0 H ASP A 17 18.323 -1.519 -3.777 1.00 1.55 H new ATOM 0 HA ASP A 17 20.083 0.473 -2.703 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.667 -1.904 -3.343 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.443 -1.464 -5.025 1.00 1.95 H new ATOM 274 N ASP A 18 18.723 0.956 -5.615 1.00 1.53 N ATOM 275 CA ASP A 18 18.545 1.911 -6.700 1.00 1.48 C ATOM 276 C ASP A 18 17.074 1.972 -7.090 1.00 1.37 C ATOM 277 O ASP A 18 16.298 1.100 -6.700 1.00 1.29 O ATOM 278 CB ASP A 18 19.407 1.500 -7.902 1.00 1.53 C ATOM 279 CG ASP A 18 19.352 2.494 -9.045 1.00 1.47 C ATOM 280 OD1 ASP A 18 20.057 3.523 -8.979 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.602 2.251 -10.016 1.00 1.41 O ATOM 0 H ASP A 18 18.059 0.182 -5.626 1.00 1.53 H new ATOM 0 HA ASP A 18 18.861 2.901 -6.371 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.441 1.387 -7.577 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.077 0.525 -8.261 1.00 1.53 H new ATOM 286 N GLU A 19 16.694 2.991 -7.848 1.00 1.41 N ATOM 287 CA GLU A 19 15.316 3.154 -8.295 1.00 1.38 C ATOM 288 C GLU A 19 14.896 1.983 -9.179 1.00 1.34 C ATOM 289 O GLU A 19 13.719 1.624 -9.236 1.00 1.34 O ATOM 290 CB GLU A 19 15.168 4.462 -9.071 1.00 1.49 C ATOM 291 CG GLU A 19 13.730 4.929 -9.219 1.00 1.76 C ATOM 292 CD GLU A 19 13.219 5.638 -7.982 1.00 2.08 C ATOM 293 OE1 GLU A 19 13.962 6.460 -7.408 1.00 2.72 O ATOM 294 OE2 GLU A 19 12.066 5.375 -7.573 1.00 2.43 O ATOM 0 H GLU A 19 17.327 3.724 -8.169 1.00 1.41 H new ATOM 0 HA GLU A 19 14.671 3.180 -7.417 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.742 5.239 -8.567 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.603 4.336 -10.062 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.656 5.600 -10.075 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.093 4.070 -9.431 1.00 1.76 H new ATOM 301 N ASN A 20 15.866 1.398 -9.879 1.00 1.37 N ATOM 302 CA ASN A 20 15.605 0.259 -10.759 1.00 1.39 C ATOM 303 C ASN A 20 15.880 -1.044 -10.017 1.00 1.40 C ATOM 304 O ASN A 20 15.799 -2.138 -10.582 1.00 1.52 O ATOM 305 CB ASN A 20 16.481 0.349 -12.014 1.00 1.48 C ATOM 306 CG ASN A 20 16.071 -0.637 -13.095 1.00 2.08 C ATOM 307 OD1 ASN A 20 14.892 -0.943 -13.265 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.046 -1.142 -13.832 1.00 2.15 N ATOM 0 H ASN A 20 16.842 1.694 -9.854 1.00 1.37 H new ATOM 0 HA ASN A 20 14.558 0.279 -11.063 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.430 1.361 -12.415 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.520 0.167 -11.739 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.832 -1.810 -14.572 1.00 2.15 H new ATOM 0 HD22 ASN A 20 18.012 -0.863 -13.660 1.00 2.15 H new ATOM 315 N ASN A 21 16.196 -0.917 -8.739 1.00 1.36 N ATOM 316 CA ASN A 21 16.498 -2.065 -7.899 1.00 1.38 C ATOM 317 C ASN A 21 15.629 -2.043 -6.653 1.00 1.25 C ATOM 318 O ASN A 21 16.106 -2.283 -5.542 1.00 1.23 O ATOM 319 CB ASN A 21 17.975 -2.057 -7.498 1.00 1.54 C ATOM 320 CG ASN A 21 18.904 -2.324 -8.664 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.268 -1.411 -9.402 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.304 -3.573 -8.831 1.00 2.45 N ATOM 0 H ASN A 21 16.250 -0.020 -8.256 1.00 1.36 H new ATOM 0 HA ASN A 21 16.290 -2.973 -8.465 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.221 -1.091 -7.058 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.141 -2.810 -6.728 1.00 1.54 H new ATOM 0 HD21 ASN A 21 19.938 -3.808 -9.595 1.00 2.45 H new ATOM 0 HD22 ASN A 21 18.979 -4.302 -8.196 1.00 2.45 H new ATOM 329 N ALA A 22 14.351 -1.748 -6.842 1.00 1.19 N ATOM 330 CA ALA A 22 13.414 -1.689 -5.733 1.00 1.09 C ATOM 331 C ALA A 22 13.126 -3.085 -5.197 1.00 1.06 C ATOM 332 O ALA A 22 12.546 -3.918 -5.890 1.00 1.14 O ATOM 333 CB ALA A 22 12.121 -1.003 -6.154 1.00 1.04 C ATOM 0 H ALA A 22 13.940 -1.546 -7.754 1.00 1.19 H new ATOM 0 HA ALA A 22 13.870 -1.101 -4.936 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.434 -0.970 -5.308 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.339 0.013 -6.484 1.00 1.04 H new ATOM 0 HB3 ALA A 22 11.663 -1.560 -6.971 1.00 1.04 H new ATOM 339 N LEU A 23 13.545 -3.336 -3.966 1.00 0.99 N ATOM 340 CA LEU A 23 13.323 -4.627 -3.330 1.00 0.99 C ATOM 341 C LEU A 23 11.933 -4.656 -2.712 1.00 0.87 C ATOM 342 O LEU A 23 11.443 -5.699 -2.292 1.00 0.95 O ATOM 343 CB LEU A 23 14.395 -4.888 -2.267 1.00 1.05 C ATOM 344 CG LEU A 23 15.823 -4.962 -2.810 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.836 -4.824 -1.685 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.039 -6.263 -3.569 1.00 1.37 C ATOM 0 H LEU A 23 14.042 -2.661 -3.385 1.00 0.99 H new ATOM 0 HA LEU A 23 13.392 -5.415 -4.080 1.00 0.99 H new ATOM 0 HB2 LEU A 23 14.345 -4.098 -1.518 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.164 -5.824 -1.759 1.00 1.05 H new ATOM 0 HG LEU A 23 15.968 -4.132 -3.501 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.845 -4.880 -2.095 1.00 1.39 H new ATOM 0 HD12 LEU A 23 16.699 -3.864 -1.188 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.692 -5.629 -0.965 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.060 -6.298 -3.948 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.871 -7.107 -2.900 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.340 -6.318 -4.404 1.00 1.37 H new ATOM 358 N ALA A 24 11.318 -3.487 -2.659 1.00 0.77 N ATOM 359 CA ALA A 24 9.975 -3.325 -2.125 1.00 0.66 C ATOM 360 C ALA A 24 9.425 -1.980 -2.573 1.00 0.60 C ATOM 361 O ALA A 24 10.090 -0.959 -2.408 1.00 0.67 O ATOM 362 CB ALA A 24 9.979 -3.429 -0.606 1.00 0.71 C ATOM 0 H ALA A 24 11.738 -2.618 -2.987 1.00 0.77 H new ATOM 0 HA ALA A 24 9.336 -4.122 -2.505 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.963 -3.305 -0.230 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.359 -4.407 -0.309 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.618 -2.650 -0.190 1.00 0.71 H new ATOM 368 N GLU A 25 8.239 -1.970 -3.158 1.00 0.54 N ATOM 369 CA GLU A 25 7.650 -0.723 -3.625 1.00 0.52 C ATOM 370 C GLU A 25 6.128 -0.741 -3.532 1.00 0.43 C ATOM 371 O GLU A 25 5.480 -1.750 -3.831 1.00 0.45 O ATOM 372 CB GLU A 25 8.083 -0.437 -5.068 1.00 0.65 C ATOM 373 CG GLU A 25 7.626 0.919 -5.588 1.00 0.84 C ATOM 374 CD GLU A 25 8.170 1.234 -6.966 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.611 0.726 -7.959 1.00 1.02 O ATOM 376 OE2 GLU A 25 9.155 1.997 -7.067 1.00 1.33 O ATOM 0 H GLU A 25 7.669 -2.800 -3.320 1.00 0.54 H new ATOM 0 HA GLU A 25 8.013 0.072 -2.973 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.170 -0.492 -5.129 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.687 -1.217 -5.718 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.537 0.943 -5.618 1.00 0.84 H new ATOM 0 HG3 GLU A 25 7.942 1.695 -4.891 1.00 0.84 H new ATOM 383 N ILE A 26 5.575 0.385 -3.100 1.00 0.40 N ATOM 384 CA ILE A 26 4.137 0.558 -2.977 1.00 0.33 C ATOM 385 C ILE A 26 3.737 1.910 -3.576 1.00 0.33 C ATOM 386 O ILE A 26 4.336 2.943 -3.264 1.00 0.38 O ATOM 387 CB ILE A 26 3.672 0.450 -1.501 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.153 0.599 -1.399 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.366 1.487 -0.631 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.609 0.349 -0.007 1.00 0.34 C ATOM 0 H ILE A 26 6.115 1.206 -2.825 1.00 0.40 H new ATOM 0 HA ILE A 26 3.642 -0.243 -3.526 1.00 0.33 H new ATOM 0 HB ILE A 26 3.948 -0.539 -1.136 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.873 1.604 -1.714 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.681 -0.095 -2.094 1.00 0.30 H new ATOM 0 HG21 ILE A 26 4.021 1.388 0.398 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.444 1.331 -0.669 1.00 0.41 H new ATOM 0 HG23 ILE A 26 4.131 2.486 -0.998 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.526 0.473 -0.012 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.857 -0.666 0.304 1.00 0.34 H new ATOM 0 HD13 ILE A 26 2.052 1.060 0.690 1.00 0.34 H new ATOM 402 N THR A 27 2.752 1.901 -4.460 1.00 0.33 N ATOM 403 CA THR A 27 2.305 3.127 -5.105 1.00 0.35 C ATOM 404 C THR A 27 0.855 3.437 -4.772 1.00 0.37 C ATOM 405 O THR A 27 0.004 2.548 -4.764 1.00 0.41 O ATOM 406 CB THR A 27 2.453 3.040 -6.637 1.00 0.40 C ATOM 407 OG1 THR A 27 1.852 1.833 -7.123 1.00 0.60 O ATOM 408 CG2 THR A 27 3.916 3.082 -7.048 1.00 0.51 C ATOM 0 H THR A 27 2.248 1.062 -4.747 1.00 0.33 H new ATOM 0 HA THR A 27 2.939 3.927 -4.723 1.00 0.35 H new ATOM 0 HB THR A 27 1.946 3.900 -7.073 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.950 1.788 -8.097 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.991 3.019 -8.134 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.363 4.016 -6.707 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.445 2.241 -6.598 1.00 0.51 H new ATOM 416 N TYR A 28 0.579 4.704 -4.503 1.00 0.39 N ATOM 417 CA TYR A 28 -0.769 5.150 -4.188 1.00 0.45 C ATOM 418 C TYR A 28 -1.065 6.436 -4.943 1.00 0.48 C ATOM 419 O TYR A 28 -0.157 7.050 -5.503 1.00 0.68 O ATOM 420 CB TYR A 28 -0.945 5.351 -2.675 1.00 0.48 C ATOM 421 CG TYR A 28 0.085 6.262 -2.035 1.00 0.49 C ATOM 422 CD1 TYR A 28 -0.125 7.636 -1.955 1.00 0.59 C ATOM 423 CD2 TYR A 28 1.269 5.750 -1.522 1.00 0.51 C ATOM 424 CE1 TYR A 28 0.816 8.468 -1.379 1.00 0.66 C ATOM 425 CE2 TYR A 28 2.214 6.577 -0.944 1.00 0.60 C ATOM 426 CZ TYR A 28 1.967 7.931 -0.850 1.00 0.65 C ATOM 427 OH TYR A 28 2.914 8.763 -0.300 1.00 0.76 O ATOM 0 H TYR A 28 1.278 5.447 -4.497 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.477 4.382 -4.499 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -1.938 5.760 -2.489 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.904 4.378 -2.185 1.00 0.48 H new ATOM 0 HD1 TYR A 28 -1.038 8.058 -2.349 1.00 0.59 H new ATOM 0 HD2 TYR A 28 1.455 4.687 -1.575 1.00 0.51 H new ATOM 0 HE1 TYR A 28 0.649 9.534 -1.344 1.00 0.66 H new ATOM 0 HE2 TYR A 28 3.139 6.166 -0.569 1.00 0.60 H new ATOM 0 HH TYR A 28 3.428 8.272 0.375 1.00 0.76 H new ATOM 437 N ARG A 29 -2.327 6.835 -4.979 1.00 0.42 N ATOM 438 CA ARG A 29 -2.712 8.048 -5.680 1.00 0.48 C ATOM 439 C ARG A 29 -4.066 8.540 -5.215 1.00 0.48 C ATOM 440 O ARG A 29 -4.889 7.761 -4.734 1.00 0.49 O ATOM 441 CB ARG A 29 -2.758 7.791 -7.180 1.00 0.56 C ATOM 442 CG ARG A 29 -2.281 8.962 -8.016 1.00 0.93 C ATOM 443 CD ARG A 29 -1.148 8.555 -8.936 1.00 1.22 C ATOM 444 NE ARG A 29 0.013 8.072 -8.195 1.00 1.83 N ATOM 445 CZ ARG A 29 1.233 8.594 -8.302 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.446 9.637 -9.098 1.00 3.23 N ATOM 447 NH2 ARG A 29 2.235 8.084 -7.596 1.00 3.63 N ATOM 0 H ARG A 29 -3.098 6.339 -4.533 1.00 0.42 H new ATOM 0 HA ARG A 29 -1.968 8.813 -5.459 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.145 6.919 -7.409 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -3.781 7.545 -7.466 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.110 9.352 -8.607 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -1.949 9.768 -7.361 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.495 7.776 -9.615 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -0.857 9.407 -9.551 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.118 7.287 -7.557 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.674 10.040 -9.629 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.382 10.035 -9.178 1.00 3.23 H new ATOM 0 HH21 ARG A 29 2.069 7.294 -6.973 1.00 3.63 H new ATOM 0 HH22 ARG A 29 3.170 8.483 -7.677 1.00 3.63 H new ATOM 461 N PHE A 30 -4.289 9.832 -5.368 1.00 0.56 N ATOM 462 CA PHE A 30 -5.551 10.438 -4.987 1.00 0.60 C ATOM 463 C PHE A 30 -6.544 10.268 -6.128 1.00 0.68 C ATOM 464 O PHE A 30 -6.350 10.805 -7.221 1.00 0.83 O ATOM 465 CB PHE A 30 -5.369 11.924 -4.656 1.00 0.66 C ATOM 466 CG PHE A 30 -4.563 12.183 -3.408 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.179 12.116 -3.435 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.190 12.486 -2.209 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.436 12.350 -2.292 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.453 12.718 -1.064 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.075 12.669 -1.109 1.00 0.82 C ATOM 0 H PHE A 30 -3.608 10.485 -5.756 1.00 0.56 H new ATOM 0 HA PHE A 30 -5.929 9.944 -4.092 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -4.882 12.416 -5.498 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.351 12.383 -4.543 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.674 11.878 -4.360 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.268 12.541 -2.170 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.359 12.284 -2.324 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -4.955 12.938 -0.134 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.497 12.880 -0.221 1.00 0.82 H new ATOM 481 N VAL A 31 -7.597 9.503 -5.884 1.00 0.62 N ATOM 482 CA VAL A 31 -8.594 9.245 -6.914 1.00 0.70 C ATOM 483 C VAL A 31 -9.726 10.266 -6.890 1.00 0.73 C ATOM 484 O VAL A 31 -10.326 10.556 -7.926 1.00 0.83 O ATOM 485 CB VAL A 31 -9.185 7.825 -6.795 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.150 6.787 -7.200 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.682 7.556 -5.384 1.00 0.67 C ATOM 0 H VAL A 31 -7.784 9.052 -4.988 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.069 9.333 -7.865 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.037 7.755 -7.471 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.581 5.790 -7.111 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -7.846 6.960 -8.232 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.281 6.866 -6.547 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.093 6.548 -5.329 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.853 7.648 -4.682 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.457 8.278 -5.127 1.00 0.67 H new ATOM 497 N ASP A 32 -10.015 10.814 -5.720 1.00 0.72 N ATOM 498 CA ASP A 32 -11.086 11.796 -5.603 1.00 0.84 C ATOM 499 C ASP A 32 -10.624 13.020 -4.821 1.00 0.97 C ATOM 500 O ASP A 32 -10.250 14.034 -5.412 1.00 1.74 O ATOM 501 CB ASP A 32 -12.319 11.170 -4.944 1.00 0.84 C ATOM 502 CG ASP A 32 -13.555 12.041 -5.076 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.611 13.104 -4.427 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.475 11.670 -5.836 1.00 1.16 O ATOM 0 H ASP A 32 -9.531 10.601 -4.848 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.357 12.121 -6.607 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.514 10.198 -5.396 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.113 10.995 -3.888 1.00 0.84 H new ATOM 509 N ASN A 33 -10.633 12.923 -3.499 1.00 0.89 N ATOM 510 CA ASN A 33 -10.222 14.040 -2.654 1.00 0.95 C ATOM 511 C ASN A 33 -9.232 13.594 -1.587 1.00 0.84 C ATOM 512 O ASN A 33 -8.054 13.938 -1.636 1.00 1.07 O ATOM 513 CB ASN A 33 -11.443 14.681 -1.988 1.00 1.09 C ATOM 514 CG ASN A 33 -11.971 15.869 -2.763 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.530 17.001 -2.562 1.00 2.09 O ATOM 516 ND2 ASN A 33 -12.921 15.624 -3.649 1.00 2.72 N ATOM 0 H ASN A 33 -10.919 12.087 -2.988 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.730 14.774 -3.293 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.232 13.936 -1.890 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.178 14.998 -0.980 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.317 16.388 -4.197 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.258 14.671 -3.785 1.00 2.72 H new ATOM 523 N ASN A 34 -9.719 12.829 -0.624 1.00 0.73 N ATOM 524 CA ASN A 34 -8.877 12.337 0.458 1.00 0.86 C ATOM 525 C ASN A 34 -8.680 10.836 0.329 1.00 0.88 C ATOM 526 O ASN A 34 -8.017 10.208 1.151 1.00 1.22 O ATOM 527 CB ASN A 34 -9.505 12.664 1.815 1.00 1.01 C ATOM 528 CG ASN A 34 -9.490 14.148 2.135 1.00 1.35 C ATOM 529 OD1 ASN A 34 -8.567 14.871 1.759 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.516 14.612 2.833 1.00 1.83 N ATOM 0 H ASN A 34 -10.694 12.534 -0.568 1.00 0.73 H new ATOM 0 HA ASN A 34 -7.907 12.830 0.392 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -10.534 12.306 1.828 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -8.970 12.124 2.596 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.561 15.601 3.078 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.261 13.980 3.126 1.00 1.83 H new ATOM 537 N GLU A 35 -9.281 10.266 -0.700 1.00 0.64 N ATOM 538 CA GLU A 35 -9.189 8.841 -0.952 1.00 0.62 C ATOM 539 C GLU A 35 -7.920 8.504 -1.730 1.00 0.57 C ATOM 540 O GLU A 35 -7.739 8.947 -2.868 1.00 0.59 O ATOM 541 CB GLU A 35 -10.424 8.363 -1.726 1.00 0.68 C ATOM 542 CG GLU A 35 -11.748 8.693 -1.043 1.00 1.01 C ATOM 543 CD GLU A 35 -12.360 9.996 -1.524 1.00 1.41 C ATOM 544 OE1 GLU A 35 -11.600 10.946 -1.811 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.604 10.080 -1.635 1.00 1.47 O ATOM 0 H GLU A 35 -9.844 10.776 -1.381 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.147 8.327 0.008 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.416 8.814 -2.718 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.358 7.284 -1.866 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.453 7.881 -1.220 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.590 8.749 0.034 1.00 1.01 H new ATOM 552 N ILE A 36 -7.041 7.733 -1.104 1.00 0.52 N ATOM 553 CA ILE A 36 -5.800 7.313 -1.732 1.00 0.48 C ATOM 554 C ILE A 36 -5.882 5.836 -2.091 1.00 0.46 C ATOM 555 O ILE A 36 -6.112 4.983 -1.230 1.00 0.53 O ATOM 556 CB ILE A 36 -4.563 7.566 -0.837 1.00 0.47 C ATOM 557 CG1 ILE A 36 -4.843 7.172 0.617 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.135 9.025 -0.927 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.607 7.144 1.490 1.00 0.51 C ATOM 0 H ILE A 36 -7.168 7.384 -0.154 1.00 0.52 H new ATOM 0 HA ILE A 36 -5.674 7.915 -2.632 1.00 0.48 H new ATOM 0 HB ILE A 36 -3.747 6.941 -1.200 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.561 7.873 1.042 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.311 6.188 0.633 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.264 9.188 -0.292 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -3.882 9.267 -1.959 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -4.952 9.665 -0.594 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -3.884 6.857 2.504 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.895 6.422 1.090 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.150 8.133 1.505 1.00 0.51 H new ATOM 571 N ASN A 37 -5.711 5.545 -3.366 1.00 0.44 N ATOM 572 CA ASN A 37 -5.787 4.180 -3.859 1.00 0.46 C ATOM 573 C ASN A 37 -4.408 3.606 -4.144 1.00 0.42 C ATOM 574 O ASN A 37 -3.617 4.199 -4.875 1.00 0.50 O ATOM 575 CB ASN A 37 -6.644 4.120 -5.127 1.00 0.54 C ATOM 576 CG ASN A 37 -6.515 2.792 -5.851 1.00 0.86 C ATOM 577 OD1 ASN A 37 -7.038 1.771 -5.398 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.825 2.795 -6.982 1.00 0.98 N ATOM 0 H ASN A 37 -5.517 6.241 -4.086 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.249 3.576 -3.078 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.689 4.287 -4.864 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.351 4.927 -5.799 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.711 1.931 -7.512 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.408 3.661 -7.323 1.00 0.98 H new ATOM 585 N ILE A 38 -4.128 2.461 -3.544 1.00 0.36 N ATOM 586 CA ILE A 38 -2.867 1.771 -3.749 1.00 0.33 C ATOM 587 C ILE A 38 -2.990 0.877 -4.977 1.00 0.41 C ATOM 588 O ILE A 38 -3.890 0.039 -5.055 1.00 0.53 O ATOM 589 CB ILE A 38 -2.479 0.926 -2.519 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.381 1.818 -1.280 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.161 0.204 -2.759 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.445 1.057 0.023 1.00 0.69 C ATOM 0 H ILE A 38 -4.765 1.986 -2.904 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.082 2.513 -3.899 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.253 0.177 -2.353 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.446 2.377 -1.319 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.190 2.548 -1.304 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -0.904 -0.387 -1.880 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.259 -0.454 -3.622 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.375 0.935 -2.947 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.369 1.755 0.856 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.391 0.520 0.085 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.620 0.346 0.070 1.00 0.69 H new ATOM 604 N ASP A 39 -2.102 1.061 -5.937 1.00 0.52 N ATOM 605 CA ASP A 39 -2.154 0.286 -7.169 1.00 0.73 C ATOM 606 C ASP A 39 -1.142 -0.856 -7.174 1.00 0.50 C ATOM 607 O ASP A 39 -1.504 -2.012 -7.397 1.00 0.64 O ATOM 608 CB ASP A 39 -1.918 1.194 -8.379 1.00 1.08 C ATOM 609 CG ASP A 39 -1.820 0.421 -9.682 1.00 1.73 C ATOM 610 OD1 ASP A 39 -2.790 -0.279 -10.043 1.00 2.16 O ATOM 611 OD2 ASP A 39 -0.774 0.513 -10.354 1.00 2.47 O ATOM 0 H ASP A 39 -1.339 1.736 -5.891 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.150 -0.154 -7.230 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -2.731 1.916 -8.450 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -1.000 1.762 -8.228 1.00 1.08 H new ATOM 616 N HIS A 40 0.120 -0.543 -6.926 1.00 0.37 N ATOM 617 CA HIS A 40 1.157 -1.566 -6.944 1.00 0.44 C ATOM 618 C HIS A 40 1.744 -1.810 -5.558 1.00 0.39 C ATOM 619 O HIS A 40 1.946 -0.879 -4.774 1.00 0.42 O ATOM 620 CB HIS A 40 2.274 -1.169 -7.924 1.00 0.72 C ATOM 621 CG HIS A 40 3.362 -2.192 -8.072 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.325 -3.197 -9.014 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.516 -2.372 -7.381 1.00 0.92 C ATOM 624 CE1 HIS A 40 4.402 -3.952 -8.894 1.00 2.12 C ATOM 625 NE2 HIS A 40 5.139 -3.472 -7.913 1.00 1.64 N ATOM 0 H HIS A 40 0.450 0.398 -6.712 1.00 0.37 H new ATOM 0 HA HIS A 40 0.693 -2.496 -7.274 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.832 -0.982 -8.903 1.00 0.72 H new ATOM 0 HB3 HIS A 40 2.717 -0.231 -7.590 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.876 -1.763 -6.565 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.638 -4.816 -9.497 1.00 2.12 H new ATOM 0 HE2 HIS A 40 6.030 -3.857 -7.599 1.00 1.64 H new ATOM 634 N THR A 41 2.000 -3.076 -5.272 1.00 0.41 N ATOM 635 CA THR A 41 2.596 -3.498 -4.018 1.00 0.45 C ATOM 636 C THR A 41 3.432 -4.745 -4.275 1.00 0.54 C ATOM 637 O THR A 41 2.887 -5.815 -4.541 1.00 0.73 O ATOM 638 CB THR A 41 1.527 -3.803 -2.948 1.00 0.48 C ATOM 639 OG1 THR A 41 0.469 -2.840 -3.035 1.00 0.48 O ATOM 640 CG2 THR A 41 2.131 -3.769 -1.551 1.00 0.55 C ATOM 0 H THR A 41 1.798 -3.845 -5.910 1.00 0.41 H new ATOM 0 HA THR A 41 3.217 -2.686 -3.638 1.00 0.45 H new ATOM 0 HB THR A 41 1.133 -4.803 -3.131 1.00 0.48 H new ATOM 0 HG1 THR A 41 -0.295 -3.235 -3.506 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.357 -3.987 -0.815 1.00 0.55 H new ATOM 0 HG22 THR A 41 2.922 -4.516 -1.478 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.547 -2.780 -1.358 1.00 0.55 H new ATOM 648 N GLY A 42 4.748 -4.602 -4.238 1.00 0.55 N ATOM 649 CA GLY A 42 5.612 -5.736 -4.496 1.00 0.66 C ATOM 650 C GLY A 42 6.811 -5.791 -3.574 1.00 0.64 C ATOM 651 O GLY A 42 7.268 -4.762 -3.074 1.00 0.70 O ATOM 0 H GLY A 42 5.231 -3.727 -4.035 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.036 -6.655 -4.389 1.00 0.66 H new ATOM 0 HA3 GLY A 42 5.957 -5.695 -5.529 1.00 0.66 H new ATOM 655 N VAL A 43 7.308 -7.003 -3.348 1.00 0.67 N ATOM 656 CA VAL A 43 8.464 -7.233 -2.492 1.00 0.71 C ATOM 657 C VAL A 43 9.348 -8.310 -3.110 1.00 0.74 C ATOM 658 O VAL A 43 8.879 -9.407 -3.425 1.00 0.82 O ATOM 659 CB VAL A 43 8.049 -7.673 -1.064 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.269 -8.043 -0.233 1.00 0.93 C ATOM 661 CG2 VAL A 43 7.250 -6.581 -0.371 1.00 0.80 C ATOM 0 H VAL A 43 6.919 -7.854 -3.754 1.00 0.67 H new ATOM 0 HA VAL A 43 9.008 -6.292 -2.410 1.00 0.71 H new ATOM 0 HB VAL A 43 7.417 -8.556 -1.158 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.951 -8.348 0.764 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.800 -8.866 -0.712 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.931 -7.181 -0.155 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.971 -6.913 0.629 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.856 -5.678 -0.297 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.350 -6.368 -0.947 1.00 0.80 H new ATOM 671 N SER A 44 10.616 -7.992 -3.290 1.00 0.82 N ATOM 672 CA SER A 44 11.567 -8.919 -3.871 1.00 0.90 C ATOM 673 C SER A 44 12.283 -9.713 -2.782 1.00 1.01 C ATOM 674 O SER A 44 12.776 -9.152 -1.803 1.00 1.32 O ATOM 675 CB SER A 44 12.583 -8.155 -4.721 1.00 1.27 C ATOM 676 OG SER A 44 11.947 -7.191 -5.541 1.00 1.83 O ATOM 0 H SER A 44 11.014 -7.087 -3.039 1.00 0.82 H new ATOM 0 HA SER A 44 11.025 -9.621 -4.505 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.307 -7.662 -4.071 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.139 -8.856 -5.344 1.00 1.27 H new ATOM 0 HG SER A 44 12.621 -6.717 -6.072 1.00 1.83 H new ATOM 759 N GLY A 51 8.135 -9.605 4.529 1.00 1.01 N ATOM 760 CA GLY A 51 7.221 -8.778 5.299 1.00 1.11 C ATOM 761 C GLY A 51 7.504 -7.295 5.162 1.00 0.88 C ATOM 762 O GLY A 51 6.924 -6.481 5.878 1.00 0.86 O ATOM 0 HA2 GLY A 51 6.199 -8.978 4.976 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.284 -9.059 6.350 1.00 1.11 H new ATOM 766 N VAL A 52 8.379 -6.940 4.229 1.00 0.80 N ATOM 767 CA VAL A 52 8.742 -5.542 4.005 1.00 0.68 C ATOM 768 C VAL A 52 7.517 -4.717 3.602 1.00 0.58 C ATOM 769 O VAL A 52 7.406 -3.538 3.946 1.00 0.56 O ATOM 770 CB VAL A 52 9.829 -5.399 2.919 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.491 -4.032 2.997 1.00 0.91 C ATOM 772 CG2 VAL A 52 10.867 -6.504 3.045 1.00 1.14 C ATOM 0 H VAL A 52 8.852 -7.601 3.613 1.00 0.80 H new ATOM 0 HA VAL A 52 9.140 -5.166 4.947 1.00 0.68 H new ATOM 0 HB VAL A 52 9.349 -5.492 1.945 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.254 -3.953 2.223 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.741 -3.255 2.848 1.00 0.91 H new ATOM 0 HG13 VAL A 52 10.953 -3.907 3.976 1.00 0.91 H new ATOM 0 HG21 VAL A 52 11.623 -6.383 2.269 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.340 -6.448 4.025 1.00 1.14 H new ATOM 0 HG23 VAL A 52 10.382 -7.473 2.931 1.00 1.14 H new ATOM 782 N GLY A 53 6.595 -5.358 2.886 1.00 0.59 N ATOM 783 CA GLY A 53 5.383 -4.690 2.448 1.00 0.58 C ATOM 784 C GLY A 53 4.548 -4.190 3.613 1.00 0.51 C ATOM 785 O GLY A 53 3.835 -3.198 3.491 1.00 0.50 O ATOM 0 H GLY A 53 6.668 -6.335 2.601 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.646 -3.850 1.805 1.00 0.58 H new ATOM 0 HA3 GLY A 53 4.789 -5.378 1.847 1.00 0.58 H new ATOM 789 N LYS A 54 4.662 -4.863 4.755 1.00 0.52 N ATOM 790 CA LYS A 54 3.913 -4.481 5.945 1.00 0.50 C ATOM 791 C LYS A 54 4.447 -3.167 6.504 1.00 0.48 C ATOM 792 O LYS A 54 3.700 -2.371 7.072 1.00 0.48 O ATOM 793 CB LYS A 54 4.000 -5.580 7.008 1.00 0.59 C ATOM 794 CG LYS A 54 3.652 -6.962 6.476 1.00 0.75 C ATOM 795 CD LYS A 54 3.925 -8.042 7.506 1.00 1.08 C ATOM 796 CE LYS A 54 2.731 -8.263 8.420 1.00 1.49 C ATOM 797 NZ LYS A 54 3.062 -9.164 9.553 1.00 2.02 N ATOM 0 H LYS A 54 5.266 -5.675 4.880 1.00 0.52 H new ATOM 0 HA LYS A 54 2.867 -4.347 5.668 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.010 -5.600 7.418 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.327 -5.335 7.830 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.600 -6.988 6.190 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.232 -7.162 5.575 1.00 0.75 H new ATOM 0 HD2 LYS A 54 4.172 -8.974 6.999 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.794 -7.764 8.103 1.00 1.08 H new ATOM 0 HE2 LYS A 54 2.387 -7.304 8.807 1.00 1.49 H new ATOM 0 HE3 LYS A 54 1.908 -8.688 7.846 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 2.222 -9.290 10.153 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 3.366 -10.088 9.185 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 3.830 -8.746 10.116 1.00 2.02 H new ATOM 811 N LYS A 55 5.744 -2.943 6.338 1.00 0.51 N ATOM 812 CA LYS A 55 6.370 -1.716 6.811 1.00 0.54 C ATOM 813 C LYS A 55 5.968 -0.560 5.910 1.00 0.47 C ATOM 814 O LYS A 55 5.690 0.542 6.381 1.00 0.48 O ATOM 815 CB LYS A 55 7.894 -1.849 6.835 1.00 0.65 C ATOM 816 CG LYS A 55 8.392 -3.093 7.553 1.00 1.28 C ATOM 817 CD LYS A 55 9.659 -2.817 8.350 1.00 1.72 C ATOM 818 CE LYS A 55 10.753 -2.206 7.486 1.00 2.30 C ATOM 819 NZ LYS A 55 12.015 -2.014 8.247 1.00 2.57 N ATOM 0 H LYS A 55 6.382 -3.594 5.880 1.00 0.51 H new ATOM 0 HA LYS A 55 6.029 -1.526 7.829 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.264 -1.860 5.810 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.318 -0.968 7.317 1.00 0.65 H new ATOM 0 HG2 LYS A 55 7.615 -3.462 8.222 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.585 -3.880 6.824 1.00 1.28 H new ATOM 0 HD2 LYS A 55 9.429 -2.143 9.175 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.021 -3.746 8.790 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.941 -2.851 6.628 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.414 -1.246 7.096 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.736 -1.596 7.624 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 11.842 -1.378 9.052 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.352 -2.933 8.598 1.00 2.57 H new ATOM 833 N LEU A 56 5.932 -0.833 4.610 1.00 0.46 N ATOM 834 CA LEU A 56 5.550 0.169 3.627 1.00 0.45 C ATOM 835 C LEU A 56 4.096 0.568 3.830 1.00 0.38 C ATOM 836 O LEU A 56 3.762 1.754 3.868 1.00 0.37 O ATOM 837 CB LEU A 56 5.745 -0.370 2.210 1.00 0.54 C ATOM 838 CG LEU A 56 7.198 -0.535 1.758 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.253 -1.176 0.381 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.914 0.807 1.749 1.00 0.85 C ATOM 0 H LEU A 56 6.164 -1.744 4.214 1.00 0.46 H new ATOM 0 HA LEU A 56 6.186 1.045 3.759 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.249 -1.338 2.137 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.241 0.300 1.513 1.00 0.54 H new ATOM 0 HG LEU A 56 7.707 -1.188 2.467 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.293 -1.287 0.073 1.00 0.86 H new ATOM 0 HD12 LEU A 56 6.778 -2.157 0.417 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.727 -0.545 -0.335 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.945 0.667 1.425 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.407 1.485 1.063 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.904 1.232 2.753 1.00 0.85 H new ATOM 852 N LEU A 57 3.236 -0.438 3.975 1.00 0.37 N ATOM 853 CA LEU A 57 1.816 -0.203 4.188 1.00 0.36 C ATOM 854 C LEU A 57 1.597 0.558 5.487 1.00 0.34 C ATOM 855 O LEU A 57 0.742 1.435 5.560 1.00 0.37 O ATOM 856 CB LEU A 57 1.044 -1.523 4.221 1.00 0.43 C ATOM 857 CG LEU A 57 -0.481 -1.379 4.224 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.977 -0.930 2.858 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.141 -2.687 4.630 1.00 0.71 C ATOM 0 H LEU A 57 3.501 -1.423 3.948 1.00 0.37 H new ATOM 0 HA LEU A 57 1.443 0.395 3.357 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.336 -2.120 3.357 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.343 -2.080 5.109 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.753 -0.618 4.955 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.062 -0.833 2.879 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.531 0.033 2.608 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.693 -1.668 2.107 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.224 -2.565 4.626 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.862 -3.470 3.925 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.811 -2.966 5.631 1.00 0.71 H new ATOM 871 N LYS A 58 2.385 0.222 6.506 1.00 0.36 N ATOM 872 CA LYS A 58 2.290 0.880 7.805 1.00 0.42 C ATOM 873 C LYS A 58 2.511 2.383 7.655 1.00 0.41 C ATOM 874 O LYS A 58 1.796 3.190 8.248 1.00 0.44 O ATOM 875 CB LYS A 58 3.319 0.292 8.771 1.00 0.50 C ATOM 876 CG LYS A 58 3.215 0.831 10.187 1.00 0.74 C ATOM 877 CD LYS A 58 4.440 0.463 11.013 1.00 1.10 C ATOM 878 CE LYS A 58 5.637 1.336 10.663 1.00 1.13 C ATOM 879 NZ LYS A 58 5.639 2.614 11.427 1.00 1.39 N ATOM 0 H LYS A 58 3.099 -0.505 6.456 1.00 0.36 H new ATOM 0 HA LYS A 58 1.292 0.711 8.208 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.201 -0.791 8.796 1.00 0.50 H new ATOM 0 HB3 LYS A 58 4.319 0.495 8.388 1.00 0.50 H new ATOM 0 HG2 LYS A 58 3.106 1.915 10.158 1.00 0.74 H new ATOM 0 HG3 LYS A 58 2.319 0.433 10.664 1.00 0.74 H new ATOM 0 HD2 LYS A 58 4.210 0.569 12.073 1.00 1.10 H new ATOM 0 HD3 LYS A 58 4.691 -0.584 10.845 1.00 1.10 H new ATOM 0 HE2 LYS A 58 6.557 0.789 10.869 1.00 1.13 H new ATOM 0 HE3 LYS A 58 5.628 1.552 9.595 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 6.173 3.333 10.899 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 4.660 2.939 11.562 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 6.085 2.463 12.354 1.00 1.39 H new ATOM 893 N ALA A 59 3.503 2.744 6.847 1.00 0.43 N ATOM 894 CA ALA A 59 3.819 4.143 6.599 1.00 0.48 C ATOM 895 C ALA A 59 2.649 4.836 5.912 1.00 0.44 C ATOM 896 O ALA A 59 2.334 5.987 6.213 1.00 0.47 O ATOM 897 CB ALA A 59 5.083 4.260 5.759 1.00 0.56 C ATOM 0 H ALA A 59 4.102 2.083 6.352 1.00 0.43 H new ATOM 0 HA ALA A 59 3.997 4.636 7.555 1.00 0.48 H new ATOM 0 HB1 ALA A 59 5.306 5.312 5.582 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.916 3.796 6.288 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.934 3.755 4.805 1.00 0.56 H new ATOM 903 N VAL A 60 2.006 4.133 4.985 1.00 0.39 N ATOM 904 CA VAL A 60 0.858 4.686 4.276 1.00 0.38 C ATOM 905 C VAL A 60 -0.319 4.843 5.235 1.00 0.37 C ATOM 906 O VAL A 60 -0.962 5.890 5.274 1.00 0.40 O ATOM 907 CB VAL A 60 0.443 3.796 3.083 1.00 0.38 C ATOM 908 CG1 VAL A 60 -0.734 4.404 2.332 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.620 3.588 2.145 1.00 0.41 C ATOM 0 H VAL A 60 2.259 3.184 4.708 1.00 0.39 H new ATOM 0 HA VAL A 60 1.147 5.661 3.884 1.00 0.38 H new ATOM 0 HB VAL A 60 0.131 2.828 3.474 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.006 3.758 1.497 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.584 4.502 3.007 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.455 5.387 1.954 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.313 2.959 1.309 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.959 4.553 1.768 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.434 3.103 2.684 1.00 0.41 H new ATOM 919 N VAL A 61 -0.565 3.801 6.023 1.00 0.36 N ATOM 920 CA VAL A 61 -1.648 3.796 7.003 1.00 0.40 C ATOM 921 C VAL A 61 -1.461 4.928 8.010 1.00 0.44 C ATOM 922 O VAL A 61 -2.403 5.657 8.330 1.00 0.49 O ATOM 923 CB VAL A 61 -1.719 2.440 7.745 1.00 0.43 C ATOM 924 CG1 VAL A 61 -2.686 2.501 8.919 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.123 1.329 6.788 1.00 0.43 C ATOM 0 H VAL A 61 -0.021 2.938 6.001 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.585 3.946 6.467 1.00 0.40 H new ATOM 0 HB VAL A 61 -0.725 2.224 8.137 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -2.713 1.533 9.419 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -2.355 3.264 9.623 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -3.683 2.750 8.556 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.168 0.383 7.327 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.102 1.552 6.364 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.389 1.255 5.986 1.00 0.43 H new ATOM 935 N GLU A 62 -0.232 5.082 8.484 1.00 0.47 N ATOM 936 CA GLU A 62 0.093 6.119 9.447 1.00 0.54 C ATOM 937 C GLU A 62 -0.065 7.508 8.831 1.00 0.55 C ATOM 938 O GLU A 62 -0.666 8.394 9.438 1.00 0.61 O ATOM 939 CB GLU A 62 1.518 5.923 9.967 1.00 0.61 C ATOM 940 CG GLU A 62 1.583 5.067 11.223 1.00 1.05 C ATOM 941 CD GLU A 62 3.001 4.721 11.633 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.904 5.567 11.463 1.00 1.53 O ATOM 943 OE2 GLU A 62 3.222 3.595 12.132 1.00 1.76 O ATOM 0 H GLU A 62 0.559 4.497 8.214 1.00 0.47 H new ATOM 0 HA GLU A 62 -0.602 6.042 10.283 1.00 0.54 H new ATOM 0 HB2 GLU A 62 2.122 5.460 9.187 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.959 6.898 10.176 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.093 5.595 12.041 1.00 1.05 H new ATOM 0 HG3 GLU A 62 1.024 4.146 11.057 1.00 1.05 H new ATOM 950 N HIS A 63 0.452 7.687 7.617 1.00 0.54 N ATOM 951 CA HIS A 63 0.366 8.974 6.931 1.00 0.61 C ATOM 952 C HIS A 63 -1.080 9.321 6.598 1.00 0.61 C ATOM 953 O HIS A 63 -1.476 10.489 6.644 1.00 0.69 O ATOM 954 CB HIS A 63 1.213 8.971 5.655 1.00 0.67 C ATOM 955 CG HIS A 63 1.615 10.344 5.199 1.00 0.78 C ATOM 956 ND1 HIS A 63 1.928 11.366 6.069 1.00 0.85 N ATOM 957 CD2 HIS A 63 1.765 10.857 3.953 1.00 0.97 C ATOM 958 CE1 HIS A 63 2.253 12.444 5.381 1.00 0.97 C ATOM 959 NE2 HIS A 63 2.162 12.162 4.097 1.00 1.04 N ATOM 0 H HIS A 63 0.934 6.959 7.089 1.00 0.54 H new ATOM 0 HA HIS A 63 0.757 9.735 7.607 1.00 0.61 H new ATOM 0 HB2 HIS A 63 2.110 8.376 5.826 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.653 8.482 4.858 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.911 11.299 7.087 1.00 0.85 H new ATOM 0 HD2 HIS A 63 1.602 10.336 3.021 1.00 0.97 H new ATOM 0 HE1 HIS A 63 2.544 13.396 5.799 1.00 0.97 H new ATOM 968 N ALA A 64 -1.863 8.304 6.262 1.00 0.56 N ATOM 969 CA ALA A 64 -3.264 8.493 5.938 1.00 0.62 C ATOM 970 C ALA A 64 -4.022 8.976 7.160 1.00 0.70 C ATOM 971 O ALA A 64 -4.831 9.892 7.075 1.00 0.85 O ATOM 972 CB ALA A 64 -3.869 7.202 5.414 1.00 0.61 C ATOM 0 H ALA A 64 -1.546 7.336 6.208 1.00 0.56 H new ATOM 0 HA ALA A 64 -3.342 9.249 5.157 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -4.920 7.363 5.176 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.337 6.890 4.515 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -3.784 6.425 6.174 1.00 0.61 H new ATOM 978 N ARG A 65 -3.724 8.376 8.303 1.00 0.69 N ATOM 979 CA ARG A 65 -4.375 8.746 9.551 1.00 0.82 C ATOM 980 C ARG A 65 -4.072 10.203 9.903 1.00 0.85 C ATOM 981 O ARG A 65 -4.939 10.925 10.392 1.00 0.96 O ATOM 982 CB ARG A 65 -3.922 7.822 10.685 1.00 0.89 C ATOM 983 CG ARG A 65 -4.722 7.981 11.970 1.00 1.36 C ATOM 984 CD ARG A 65 -6.150 7.484 11.807 1.00 1.44 C ATOM 985 NE ARG A 65 -6.966 7.755 12.988 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.287 7.581 13.036 1.00 2.25 C ATOM 987 NH1 ARG A 65 -8.935 7.139 11.964 1.00 1.87 N ATOM 988 NH2 ARG A 65 -8.956 7.855 14.148 1.00 3.12 N ATOM 0 H ARG A 65 -3.034 7.630 8.392 1.00 0.69 H new ATOM 0 HA ARG A 65 -5.452 8.637 9.421 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -3.996 6.788 10.349 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -2.870 8.014 10.898 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -4.234 7.429 12.773 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -4.733 9.030 12.265 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -6.602 7.961 10.938 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.140 6.412 11.613 1.00 1.44 H new ATOM 0 HE ARG A 65 -6.497 8.098 13.826 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.422 6.934 11.107 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -9.946 7.005 11.998 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -8.460 8.200 14.970 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -9.967 7.721 14.181 1.00 3.12 H new ATOM 1002 N GLU A 66 -2.845 10.630 9.621 1.00 0.79 N ATOM 1003 CA GLU A 66 -2.412 11.998 9.903 1.00 0.88 C ATOM 1004 C GLU A 66 -3.214 13.019 9.102 1.00 0.89 C ATOM 1005 O GLU A 66 -3.522 14.102 9.593 1.00 1.00 O ATOM 1006 CB GLU A 66 -0.928 12.173 9.564 1.00 0.90 C ATOM 1007 CG GLU A 66 0.003 11.270 10.347 1.00 1.05 C ATOM 1008 CD GLU A 66 1.447 11.407 9.908 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.746 11.106 8.733 1.00 1.82 O ATOM 1010 OE2 GLU A 66 2.291 11.816 10.735 1.00 1.38 O ATOM 0 H GLU A 66 -2.127 10.045 9.194 1.00 0.79 H new ATOM 0 HA GLU A 66 -2.578 12.170 10.966 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -0.786 11.986 8.500 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -0.646 13.210 9.745 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.075 11.505 11.408 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -0.314 10.234 10.226 1.00 1.05 H new ATOM 1017 N ASN A 67 -3.557 12.663 7.873 1.00 0.82 N ATOM 1018 CA ASN A 67 -4.286 13.576 6.996 1.00 0.87 C ATOM 1019 C ASN A 67 -5.761 13.214 6.877 1.00 0.89 C ATOM 1020 O ASN A 67 -6.488 13.826 6.091 1.00 0.97 O ATOM 1021 CB ASN A 67 -3.648 13.580 5.607 1.00 0.86 C ATOM 1022 CG ASN A 67 -2.324 14.309 5.574 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -2.269 15.510 5.318 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -1.245 13.588 5.824 1.00 1.09 N ATOM 0 H ASN A 67 -3.345 11.755 7.459 1.00 0.82 H new ATOM 0 HA ASN A 67 -4.226 14.569 7.442 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -3.500 12.552 5.277 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -4.333 14.047 4.899 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -0.324 14.026 5.809 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -1.333 12.593 6.032 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.198 12.222 7.651 1.00 0.88 N ATOM 1032 CA ASN A 68 -7.593 11.765 7.629 1.00 0.94 C ATOM 1033 C ASN A 68 -7.973 11.266 6.232 1.00 0.87 C ATOM 1034 O ASN A 68 -9.098 11.455 5.758 1.00 0.94 O ATOM 1035 CB ASN A 68 -8.535 12.890 8.081 1.00 1.10 C ATOM 1036 CG ASN A 68 -9.937 12.398 8.402 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.132 11.249 8.794 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -10.922 13.265 8.236 1.00 2.18 N ATOM 0 H ASN A 68 -5.604 11.714 8.307 1.00 0.88 H new ATOM 0 HA ASN A 68 -7.695 10.934 8.327 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -8.116 13.375 8.962 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -8.592 13.646 7.298 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -11.883 12.989 8.435 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -10.720 14.210 7.909 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.021 10.613 5.582 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.223 10.088 4.243 1.00 0.73 C ATOM 1047 C LEU A 69 -7.910 8.731 4.292 1.00 0.70 C ATOM 1048 O LEU A 69 -7.869 8.035 5.307 1.00 0.70 O ATOM 1049 CB LEU A 69 -5.884 9.957 3.513 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.054 11.239 3.423 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -3.700 10.957 2.785 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -5.795 12.307 2.634 1.00 0.77 C ATOM 0 H LEU A 69 -6.093 10.434 5.966 1.00 0.78 H new ATOM 0 HA LEU A 69 -7.861 10.787 3.702 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.289 9.194 4.016 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.075 9.597 2.502 1.00 0.66 H new ATOM 0 HG LEU A 69 -4.892 11.609 4.436 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.124 11.881 2.730 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.159 10.228 3.388 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -3.847 10.560 1.780 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.186 13.210 2.583 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -5.991 11.944 1.625 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -6.740 12.534 3.128 1.00 0.77 H new ATOM 1064 N LYS A 70 -8.537 8.366 3.187 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.232 7.093 3.074 1.00 0.70 C ATOM 1066 C LYS A 70 -8.390 6.148 2.237 1.00 0.62 C ATOM 1067 O LYS A 70 -8.014 6.478 1.115 1.00 0.60 O ATOM 1068 CB LYS A 70 -10.614 7.280 2.442 1.00 0.76 C ATOM 1069 CG LYS A 70 -11.665 7.811 3.408 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.421 9.270 3.770 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.303 9.712 4.925 1.00 1.93 C ATOM 1072 NZ LYS A 70 -11.940 11.067 5.420 1.00 3.05 N ATOM 0 H LYS A 70 -8.579 8.940 2.345 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.378 6.673 4.069 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.528 7.967 1.600 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -10.952 6.324 2.041 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.654 7.709 2.960 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.662 7.207 4.315 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.373 9.409 4.037 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -11.615 9.899 2.901 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.345 9.710 4.606 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.218 8.994 5.741 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -12.379 11.226 6.349 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -10.906 11.139 5.509 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.280 11.785 4.748 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.090 4.984 2.779 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.254 4.024 2.083 1.00 0.57 C ATOM 1088 C ILE A 71 -8.060 2.967 1.342 1.00 0.56 C ATOM 1089 O ILE A 71 -8.920 2.292 1.914 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.276 3.321 3.049 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.409 4.358 3.764 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.403 2.320 2.295 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.393 3.756 4.707 1.00 0.86 C ATOM 0 H ILE A 71 -8.412 4.680 3.698 1.00 0.62 H new ATOM 0 HA ILE A 71 -6.693 4.603 1.349 1.00 0.57 H new ATOM 0 HB ILE A 71 -6.854 2.774 3.794 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -4.888 4.959 3.019 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.055 5.034 4.324 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -4.720 1.835 2.993 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.036 1.568 1.824 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -4.829 2.842 1.530 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -3.816 4.552 5.177 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.907 3.179 5.475 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -3.722 3.102 4.150 1.00 0.86 H new ATOM 1105 N ILE A 72 -7.763 2.851 0.058 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.369 1.865 -0.818 1.00 0.54 C ATOM 1107 C ILE A 72 -7.254 1.244 -1.646 1.00 0.50 C ATOM 1108 O ILE A 72 -6.225 1.885 -1.859 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.439 2.478 -1.751 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.091 3.930 -2.098 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -10.815 2.392 -1.101 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.010 4.542 -3.132 1.00 0.99 C ATOM 0 H ILE A 72 -7.083 3.449 -0.411 1.00 0.53 H new ATOM 0 HA ILE A 72 -8.881 1.119 -0.210 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.458 1.907 -2.679 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.129 4.531 -1.189 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.066 3.971 -2.465 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.560 2.827 -1.767 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.063 1.348 -0.911 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -10.807 2.940 -0.159 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.704 5.570 -3.328 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -9.955 3.965 -4.055 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.034 4.533 -2.759 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.418 0.014 -2.096 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.362 -0.626 -2.863 1.00 0.43 C ATOM 1126 C ALA A 73 -6.896 -1.433 -4.035 1.00 0.43 C ATOM 1127 O ALA A 73 -7.933 -2.089 -3.939 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.524 -1.512 -1.955 1.00 0.50 C ATOM 0 H ALA A 73 -8.253 -0.553 -1.949 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.742 0.167 -3.280 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.735 -1.988 -2.538 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.078 -0.906 -1.167 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.158 -2.278 -1.509 1.00 0.50 H new ATOM 1134 N SER A 74 -6.177 -1.365 -5.143 1.00 0.48 N ATOM 1135 CA SER A 74 -6.530 -2.106 -6.339 1.00 0.53 C ATOM 1136 C SER A 74 -5.794 -3.440 -6.329 1.00 0.46 C ATOM 1137 O SER A 74 -6.297 -4.454 -6.818 1.00 0.55 O ATOM 1138 CB SER A 74 -6.159 -1.302 -7.587 1.00 0.69 C ATOM 1139 OG SER A 74 -6.619 0.038 -7.494 1.00 0.94 O ATOM 0 H SER A 74 -5.335 -0.796 -5.237 1.00 0.48 H new ATOM 0 HA SER A 74 -7.605 -2.284 -6.356 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.077 -1.309 -7.718 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.590 -1.776 -8.469 1.00 0.69 H new ATOM 0 HG SER A 74 -6.588 0.330 -6.559 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.600 -3.424 -5.749 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.781 -4.615 -5.641 1.00 0.48 C ATOM 1147 C CYS A 75 -4.444 -5.616 -4.699 1.00 0.45 C ATOM 1148 O CYS A 75 -4.831 -5.261 -3.583 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.392 -4.245 -5.126 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.360 -2.730 -4.145 1.00 1.31 S ATOM 0 H CYS A 75 -4.178 -2.588 -5.344 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.681 -5.072 -6.626 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.008 -5.067 -4.522 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.718 -4.132 -5.975 1.00 0.59 H new ATOM 0 HG CYS A 75 -2.573 -1.707 -4.919 1.00 1.31 H new ATOM 1156 N SER A 76 -4.575 -6.856 -5.152 1.00 0.57 N ATOM 1157 CA SER A 76 -5.197 -7.912 -4.362 1.00 0.64 C ATOM 1158 C SER A 76 -4.487 -8.094 -3.020 1.00 0.61 C ATOM 1159 O SER A 76 -5.124 -8.369 -2.000 1.00 0.61 O ATOM 1160 CB SER A 76 -5.168 -9.217 -5.155 1.00 0.82 C ATOM 1161 OG SER A 76 -5.472 -8.980 -6.521 1.00 1.12 O ATOM 0 H SER A 76 -4.255 -7.158 -6.072 1.00 0.57 H new ATOM 0 HA SER A 76 -6.229 -7.629 -4.154 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.184 -9.678 -5.071 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.886 -9.920 -4.734 1.00 0.82 H new ATOM 0 HG SER A 76 -5.447 -9.827 -7.013 1.00 1.12 H new ATOM 1167 N PHE A 77 -3.173 -7.912 -3.030 1.00 0.63 N ATOM 1168 CA PHE A 77 -2.355 -8.062 -1.833 1.00 0.62 C ATOM 1169 C PHE A 77 -2.695 -7.010 -0.776 1.00 0.55 C ATOM 1170 O PHE A 77 -3.152 -7.345 0.317 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.873 -7.966 -2.200 1.00 0.68 C ATOM 1172 CG PHE A 77 0.049 -8.256 -1.055 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.098 -9.520 -0.493 1.00 0.83 C ATOM 1174 CD2 PHE A 77 0.872 -7.267 -0.546 1.00 0.77 C ATOM 1175 CE1 PHE A 77 0.954 -9.791 0.557 1.00 0.93 C ATOM 1176 CE2 PHE A 77 1.724 -7.533 0.503 1.00 0.87 C ATOM 1177 CZ PHE A 77 1.748 -8.792 1.074 1.00 0.95 C ATOM 0 H PHE A 77 -2.645 -7.657 -3.865 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.568 -9.043 -1.408 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.662 -8.663 -3.011 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.665 -6.965 -2.578 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -0.539 -10.302 -0.879 1.00 0.83 H new ATOM 0 HD2 PHE A 77 0.846 -6.276 -0.976 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.000 -10.787 0.972 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.374 -6.757 0.880 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.387 -8.991 1.922 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.477 -5.743 -1.113 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.732 -4.640 -0.188 1.00 0.46 C ATOM 1189 C ALA A 78 -4.184 -4.618 0.281 1.00 0.44 C ATOM 1190 O ALA A 78 -4.457 -4.407 1.462 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.355 -3.313 -0.829 1.00 0.47 C ATOM 0 H ALA A 78 -2.123 -5.452 -2.024 1.00 0.50 H new ATOM 0 HA ALA A 78 -2.108 -4.796 0.692 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.551 -2.502 -0.128 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.296 -3.322 -1.088 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.948 -3.163 -1.731 1.00 0.47 H new ATOM 1197 N LYS A 79 -5.112 -4.845 -0.643 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.531 -4.855 -0.308 1.00 0.47 C ATOM 1199 C LYS A 79 -6.823 -5.948 0.715 1.00 0.52 C ATOM 1200 O LYS A 79 -7.596 -5.746 1.652 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.375 -5.067 -1.570 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.849 -4.718 -1.395 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.695 -5.950 -1.105 1.00 0.87 C ATOM 1204 CE LYS A 79 -11.159 -5.586 -0.919 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.992 -6.771 -0.570 1.00 1.27 N ATOM 0 H LYS A 79 -4.908 -5.024 -1.626 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.794 -3.891 0.127 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.962 -4.462 -2.377 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.293 -6.109 -1.879 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.958 -4.003 -0.580 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -9.216 -4.230 -2.298 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.597 -6.662 -1.925 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.325 -6.445 -0.207 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.249 -4.836 -0.133 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.539 -5.134 -1.835 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.848 -6.458 -0.068 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -12.264 -7.272 -1.440 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.446 -7.411 0.042 1.00 1.27 H new ATOM 1219 N HIS A 80 -6.176 -7.096 0.547 1.00 0.56 N ATOM 1220 CA HIS A 80 -6.367 -8.216 1.454 1.00 0.64 C ATOM 1221 C HIS A 80 -5.762 -7.919 2.819 1.00 0.60 C ATOM 1222 O HIS A 80 -6.240 -8.412 3.836 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.757 -9.491 0.878 1.00 0.77 C ATOM 1224 CG HIS A 80 -6.128 -10.724 1.640 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -7.432 -11.134 1.813 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -5.361 -11.638 2.280 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -7.450 -12.246 2.521 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -6.208 -12.570 2.816 1.00 1.13 N ATOM 0 H HIS A 80 -5.515 -7.273 -0.210 1.00 0.56 H new ATOM 0 HA HIS A 80 -7.440 -8.366 1.575 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -6.078 -9.603 -0.158 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.672 -9.393 0.867 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -8.255 -10.653 1.450 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -4.284 -11.633 2.354 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -8.333 -12.797 2.810 1.00 1.21 H new ATOM 1237 N MET A 81 -4.711 -7.112 2.837 1.00 0.58 N ATOM 1238 CA MET A 81 -4.053 -6.750 4.086 1.00 0.59 C ATOM 1239 C MET A 81 -4.938 -5.822 4.909 1.00 0.54 C ATOM 1240 O MET A 81 -4.970 -5.902 6.140 1.00 0.58 O ATOM 1241 CB MET A 81 -2.710 -6.075 3.814 1.00 0.64 C ATOM 1242 CG MET A 81 -1.660 -7.006 3.237 1.00 1.25 C ATOM 1243 SD MET A 81 -0.027 -6.247 3.146 1.00 1.51 S ATOM 1244 CE MET A 81 0.356 -6.047 4.884 1.00 1.09 C ATOM 0 H MET A 81 -4.296 -6.696 2.004 1.00 0.58 H new ATOM 0 HA MET A 81 -3.878 -7.666 4.651 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.865 -5.245 3.124 1.00 0.64 H new ATOM 0 HB3 MET A 81 -2.333 -5.650 4.744 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.604 -7.906 3.849 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.967 -7.318 2.239 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.401 -5.756 4.995 1.00 1.09 H new ATOM 0 HE2 MET A 81 -0.283 -5.274 5.311 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.184 -6.989 5.405 1.00 1.09 H new ATOM 1254 N LEU A 82 -5.664 -4.955 4.214 1.00 0.50 N ATOM 1255 CA LEU A 82 -6.553 -4.000 4.860 1.00 0.51 C ATOM 1256 C LEU A 82 -7.784 -4.698 5.430 1.00 0.56 C ATOM 1257 O LEU A 82 -8.176 -4.451 6.568 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.978 -2.918 3.859 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.829 -2.178 3.169 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -6.357 -1.310 2.036 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -5.055 -1.333 4.170 1.00 0.49 C ATOM 0 H LEU A 82 -5.653 -4.895 3.196 1.00 0.50 H new ATOM 0 HA LEU A 82 -6.013 -3.534 5.684 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -7.603 -3.379 3.094 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.598 -2.188 4.379 1.00 0.53 H new ATOM 0 HG LEU A 82 -5.149 -2.919 2.749 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.526 -0.792 1.557 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.864 -1.937 1.303 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -7.059 -0.578 2.435 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.243 -0.816 3.659 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.724 -0.601 4.622 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.643 -1.976 4.947 1.00 0.49 H new ATOM 1273 N GLU A 83 -8.381 -5.585 4.641 1.00 0.62 N ATOM 1274 CA GLU A 83 -9.575 -6.310 5.073 1.00 0.70 C ATOM 1275 C GLU A 83 -9.237 -7.376 6.112 1.00 0.68 C ATOM 1276 O GLU A 83 -10.111 -7.844 6.843 1.00 0.72 O ATOM 1277 CB GLU A 83 -10.271 -6.957 3.875 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.394 -7.954 3.135 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.104 -8.617 1.977 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -11.151 -8.096 1.532 1.00 1.45 O ATOM 1281 OE2 GLU A 83 -9.624 -9.663 1.501 1.00 1.46 O ATOM 0 H GLU A 83 -8.061 -5.820 3.702 1.00 0.62 H new ATOM 0 HA GLU A 83 -10.249 -5.587 5.533 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -11.174 -7.463 4.218 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -10.586 -6.177 3.182 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -8.505 -7.443 2.765 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -9.055 -8.720 3.833 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.969 -7.766 6.169 1.00 0.67 N ATOM 1289 CA LYS A 84 -7.522 -8.776 7.121 1.00 0.69 C ATOM 1290 C LYS A 84 -7.426 -8.182 8.522 1.00 0.68 C ATOM 1291 O LYS A 84 -7.273 -8.901 9.511 1.00 0.67 O ATOM 1292 CB LYS A 84 -6.162 -9.346 6.705 1.00 0.76 C ATOM 1293 CG LYS A 84 -5.778 -10.616 7.450 1.00 0.99 C ATOM 1294 CD LYS A 84 -4.282 -10.696 7.706 1.00 1.43 C ATOM 1295 CE LYS A 84 -3.808 -9.613 8.662 1.00 1.94 C ATOM 1296 NZ LYS A 84 -4.476 -9.694 9.988 1.00 2.33 N ATOM 0 H LYS A 84 -7.232 -7.398 5.567 1.00 0.67 H new ATOM 0 HA LYS A 84 -8.254 -9.583 7.127 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -6.177 -9.553 5.635 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -5.394 -8.591 6.873 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -6.311 -10.654 8.400 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -6.094 -11.485 6.872 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -4.037 -11.675 8.117 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -3.747 -10.604 6.761 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.730 -9.697 8.796 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -3.999 -8.634 8.221 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -4.095 -8.956 10.614 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -5.500 -9.553 9.870 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -4.301 -10.629 10.408 1.00 2.33 H new ATOM 1310 N GLU A 85 -7.520 -6.866 8.601 1.00 0.84 N ATOM 1311 CA GLU A 85 -7.443 -6.173 9.871 1.00 0.96 C ATOM 1312 C GLU A 85 -8.716 -5.378 10.119 1.00 0.93 C ATOM 1313 O GLU A 85 -8.944 -4.340 9.500 1.00 0.86 O ATOM 1314 CB GLU A 85 -6.232 -5.243 9.896 1.00 1.07 C ATOM 1315 CG GLU A 85 -5.489 -5.256 11.219 1.00 1.07 C ATOM 1316 CD GLU A 85 -4.988 -6.635 11.583 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -4.080 -7.141 10.893 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -5.498 -7.222 12.559 1.00 1.60 O ATOM 0 H GLU A 85 -7.650 -6.255 7.795 1.00 0.84 H new ATOM 0 HA GLU A 85 -7.333 -6.914 10.662 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -5.546 -5.531 9.100 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -6.560 -4.226 9.682 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -4.645 -4.568 11.166 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -6.148 -4.892 12.007 1.00 1.07 H new ATOM 1325 N ASP A 86 -9.542 -5.867 11.033 1.00 1.07 N ATOM 1326 CA ASP A 86 -10.798 -5.202 11.368 1.00 1.10 C ATOM 1327 C ASP A 86 -10.523 -3.843 11.996 1.00 1.02 C ATOM 1328 O ASP A 86 -11.324 -2.916 11.898 1.00 0.99 O ATOM 1329 CB ASP A 86 -11.619 -6.065 12.330 1.00 1.36 C ATOM 1330 CG ASP A 86 -12.964 -5.450 12.668 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -13.040 -4.659 13.635 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -13.953 -5.761 11.969 1.00 2.66 O ATOM 0 H ASP A 86 -9.366 -6.724 11.558 1.00 1.07 H new ATOM 0 HA ASP A 86 -11.369 -5.059 10.450 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -11.775 -7.048 11.886 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -11.053 -6.217 13.249 1.00 1.36 H new ATOM 1337 N SER A 87 -9.365 -3.732 12.626 1.00 1.05 N ATOM 1338 CA SER A 87 -8.955 -2.502 13.285 1.00 1.08 C ATOM 1339 C SER A 87 -8.421 -1.467 12.288 1.00 0.93 C ATOM 1340 O SER A 87 -8.043 -0.362 12.675 1.00 0.97 O ATOM 1341 CB SER A 87 -7.897 -2.832 14.331 1.00 1.27 C ATOM 1342 OG SER A 87 -8.218 -4.050 14.989 1.00 1.46 O ATOM 0 H SER A 87 -8.685 -4.489 12.695 1.00 1.05 H new ATOM 0 HA SER A 87 -9.828 -2.058 13.764 1.00 1.08 H new ATOM 0 HB2 SER A 87 -6.919 -2.914 13.856 1.00 1.27 H new ATOM 0 HB3 SER A 87 -7.831 -2.024 15.059 1.00 1.27 H new ATOM 0 HG SER A 87 -7.530 -4.252 15.657 1.00 1.46 H new ATOM 1348 N TYR A 88 -8.400 -1.821 11.008 1.00 0.91 N ATOM 1349 CA TYR A 88 -7.924 -0.910 9.973 1.00 0.88 C ATOM 1350 C TYR A 88 -9.083 -0.120 9.382 1.00 0.89 C ATOM 1351 O TYR A 88 -8.906 0.658 8.448 1.00 0.80 O ATOM 1352 CB TYR A 88 -7.212 -1.679 8.859 1.00 0.93 C ATOM 1353 CG TYR A 88 -5.716 -1.801 9.049 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -5.171 -1.907 10.321 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -4.851 -1.802 7.963 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -3.807 -2.010 10.508 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -3.484 -1.903 8.141 1.00 0.97 C ATOM 1358 CZ TYR A 88 -2.966 -2.047 9.380 1.00 0.93 C ATOM 1359 OH TYR A 88 -1.608 -2.105 9.599 1.00 1.00 O ATOM 0 H TYR A 88 -8.706 -2.730 10.662 1.00 0.91 H new ATOM 0 HA TYR A 88 -7.218 -0.220 10.435 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -7.641 -2.679 8.791 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -7.407 -1.183 7.908 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -5.826 -1.909 11.180 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -5.252 -1.723 6.964 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -3.392 -2.061 11.504 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -2.827 -1.867 7.285 1.00 0.97 H new ATOM 0 HH TYR A 88 -1.139 -2.127 8.739 1.00 1.00 H new ATOM 1369 N GLN A 89 -10.271 -0.307 9.950 1.00 1.08 N ATOM 1370 CA GLN A 89 -11.473 0.380 9.479 1.00 1.18 C ATOM 1371 C GLN A 89 -11.442 1.868 9.811 1.00 1.16 C ATOM 1372 O GLN A 89 -12.386 2.599 9.520 1.00 1.26 O ATOM 1373 CB GLN A 89 -12.718 -0.245 10.101 1.00 1.43 C ATOM 1374 CG GLN A 89 -13.112 -1.572 9.486 1.00 1.61 C ATOM 1375 CD GLN A 89 -14.402 -2.101 10.069 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -15.487 -1.778 9.593 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -14.295 -2.909 11.108 1.00 2.33 N ATOM 0 H GLN A 89 -10.429 -0.931 10.741 1.00 1.08 H new ATOM 0 HA GLN A 89 -11.503 0.270 8.395 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -12.547 -0.387 11.168 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -13.550 0.452 10.002 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -13.222 -1.454 8.408 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -12.315 -2.298 9.648 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -13.374 -3.152 11.472 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -15.134 -3.290 11.546 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.365 2.310 10.436 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.215 3.707 10.801 1.00 1.17 C ATOM 1388 C ASP A 90 -9.698 4.497 9.605 1.00 1.09 C ATOM 1389 O ASP A 90 -9.882 5.713 9.515 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.265 3.843 11.997 1.00 1.18 C ATOM 1391 CG ASP A 90 -7.857 3.372 11.693 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -7.703 2.253 11.156 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -6.899 4.121 11.973 1.00 2.03 O ATOM 0 H ASP A 90 -9.578 1.718 10.702 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.185 4.110 11.092 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.233 4.886 12.311 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.661 3.269 12.835 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.057 3.788 8.684 1.00 0.83 N ATOM 1399 CA VAL A 91 -8.523 4.401 7.476 1.00 0.79 C ATOM 1400 C VAL A 91 -9.069 3.699 6.232 1.00 0.73 C ATOM 1401 O VAL A 91 -9.252 4.316 5.186 1.00 0.76 O ATOM 1402 CB VAL A 91 -6.978 4.368 7.455 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -6.404 5.411 8.405 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.459 2.979 7.808 1.00 0.78 C ATOM 0 H VAL A 91 -8.894 2.783 8.752 1.00 0.83 H new ATOM 0 HA VAL A 91 -8.842 5.443 7.473 1.00 0.79 H new ATOM 0 HB VAL A 91 -6.649 4.607 6.444 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -5.315 5.371 8.375 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -6.739 6.403 8.102 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -6.747 5.207 9.419 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.369 2.981 7.786 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.802 2.705 8.806 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.835 2.256 7.084 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.326 2.406 6.361 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.856 1.608 5.268 1.00 0.71 C ATOM 1416 C TYR A 92 -11.377 1.664 5.278 1.00 0.80 C ATOM 1417 O TYR A 92 -12.005 1.583 6.337 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.362 0.162 5.400 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.969 -0.811 4.409 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.839 -0.615 3.039 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.663 -1.934 4.847 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -10.384 -1.507 2.136 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -11.207 -2.832 3.949 1.00 1.02 C ATOM 1424 CZ TYR A 92 -11.065 -2.614 2.596 1.00 1.02 C ATOM 1425 OH TYR A 92 -11.603 -3.509 1.698 1.00 1.14 O ATOM 0 H TYR A 92 -9.173 1.883 7.223 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.504 2.010 4.318 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -8.279 0.151 5.281 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.576 -0.189 6.410 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -9.303 0.249 2.675 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.779 -2.107 5.907 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -10.277 -1.338 1.075 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -11.741 -3.700 4.306 1.00 1.02 H new ATOM 0 HH TYR A 92 -12.049 -4.233 2.185 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.967 1.805 4.096 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.416 1.880 3.961 1.00 0.84 C ATOM 1437 C LEU A 93 -14.060 0.505 4.139 1.00 1.05 C ATOM 1438 O LEU A 93 -14.591 -0.075 3.192 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.789 2.472 2.597 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.353 3.922 2.385 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.454 4.292 0.916 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -14.196 4.865 3.234 1.00 1.42 C ATOM 0 H LEU A 93 -11.460 1.870 3.213 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.797 2.532 4.747 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -13.344 1.856 1.816 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.870 2.411 2.474 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.313 4.020 2.697 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.141 5.327 0.779 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -12.809 3.637 0.331 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.485 4.178 0.582 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.870 5.892 3.069 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.245 4.767 2.954 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -14.077 4.611 4.287 1.00 1.42 H new