USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 758 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 83 GLN : amide:sc= -2.09 K(o=-2.3,f=-8.1!) USER MOD Set 1.2: A 95 TYR OH : rot 72:sc= -0.214 USER MOD Set 2.1: A 58 SER OG : rot -71:sc= -0.366 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.44 K(o=0.074,f=-0.91) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.571 X(o=-1,f=-0.97) USER MOD Set 3.2: A 42 MET CE :methyl -157:sc= -0.443 (180deg=-0.383) USER MOD Set 4.1: A 22 TYR OH : rot 20:sc= 1.3 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 135:sc= 0.196 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -29:sc= 0.647 USER MOD Single : A 23 MET CE :methyl -176:sc= -0.691 (180deg=-0.707) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.36 K(o=-1.4,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.124 X(o=-0.12,f=-0.25) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -168:sc= 0.00722 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 63 SER OG : rot -51:sc= 0.398 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 90:sc= -0.974 USER MOD Single : A 71 ASN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.43) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -9.23! C(o=-9.2!,f=-12!) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.191) USER MOD Single : A 98 HIS : no HE2:sc= -2.85 X(o=-2.9,f=-2.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -33:sc= 0.224 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.636 12.454 -4.788 1.00 0.00 N ATOM 106 CA ALA A 11 -4.788 11.028 -4.530 1.00 0.00 C ATOM 107 C ALA A 11 -5.579 10.350 -5.643 1.00 0.00 C ATOM 108 O ALA A 11 -6.551 9.640 -5.383 1.00 0.00 O ATOM 109 CB ALA A 11 -5.466 10.804 -3.186 1.00 0.00 C ATOM 0 HA ALA A 11 -3.794 10.581 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.573 9.734 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.860 11.246 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.451 11.271 -3.193 1.00 0.00 H new ATOM 115 N ARG A 12 -5.157 10.573 -6.883 1.00 0.00 N ATOM 116 CA ARG A 12 -5.828 9.985 -8.036 1.00 0.00 C ATOM 117 C ARG A 12 -4.953 8.919 -8.690 1.00 0.00 C ATOM 118 O ARG A 12 -4.118 9.224 -9.541 1.00 0.00 O ATOM 119 CB ARG A 12 -6.179 11.069 -9.057 1.00 0.00 C ATOM 120 CG ARG A 12 -7.147 10.603 -10.132 1.00 0.00 C ATOM 121 CD ARG A 12 -8.545 10.394 -9.571 1.00 0.00 C ATOM 122 NE ARG A 12 -8.721 9.051 -9.025 1.00 0.00 N ATOM 123 CZ ARG A 12 -9.842 8.634 -8.447 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.880 9.452 -8.339 1.00 0.00 N ATOM 125 NH2 ARG A 12 -9.926 7.397 -7.975 1.00 0.00 N ATOM 0 H ARG A 12 -4.353 11.157 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.747 9.513 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.613 11.922 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.263 11.419 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.182 11.339 -10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.786 9.672 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.736 11.130 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.280 10.565 -10.357 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.941 8.398 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.819 10.404 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.740 9.129 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.129 6.765 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.787 7.078 -7.531 1.00 0.00 H new ATOM 139 N PHE A 13 -5.150 7.669 -8.285 1.00 0.00 N ATOM 140 CA PHE A 13 -4.377 6.559 -8.830 1.00 0.00 C ATOM 141 C PHE A 13 -5.213 5.282 -8.869 1.00 0.00 C ATOM 142 O PHE A 13 -6.284 5.210 -8.265 1.00 0.00 O ATOM 143 CB PHE A 13 -3.115 6.330 -7.996 1.00 0.00 C ATOM 144 CG PHE A 13 -3.398 6.018 -6.554 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.668 7.035 -5.652 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.394 4.709 -6.100 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.927 6.751 -4.324 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.653 4.419 -4.774 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.921 5.441 -3.885 1.00 0.00 C ATOM 0 H PHE A 13 -5.838 7.399 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.089 6.816 -9.849 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.545 5.510 -8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.487 7.219 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.676 8.061 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.186 3.905 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.134 7.553 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.646 3.394 -4.433 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.126 5.217 -2.849 1.00 0.00 H new ATOM 159 N ASP A 14 -4.716 4.279 -9.583 1.00 0.00 N ATOM 160 CA ASP A 14 -5.415 3.005 -9.701 1.00 0.00 C ATOM 161 C ASP A 14 -4.886 1.998 -8.685 1.00 0.00 C ATOM 162 O ASP A 14 -3.931 1.270 -8.956 1.00 0.00 O ATOM 163 CB ASP A 14 -5.265 2.446 -11.117 1.00 0.00 C ATOM 164 CG ASP A 14 -5.758 3.412 -12.176 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.895 3.909 -12.042 1.00 0.00 O ATOM 166 OD2 ASP A 14 -5.006 3.670 -13.140 1.00 0.00 O ATOM 0 H ASP A 14 -3.831 4.323 -10.089 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.472 3.179 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.217 2.212 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.819 1.511 -11.196 1.00 0.00 H new ATOM 171 N SER A 15 -5.512 1.963 -7.513 1.00 0.00 N ATOM 172 CA SER A 15 -5.101 1.049 -6.453 1.00 0.00 C ATOM 173 C SER A 15 -5.094 -0.393 -6.953 1.00 0.00 C ATOM 174 O SER A 15 -4.502 -1.274 -6.329 1.00 0.00 O ATOM 175 CB SER A 15 -6.035 1.178 -5.248 1.00 0.00 C ATOM 176 OG SER A 15 -7.359 0.802 -5.587 1.00 0.00 O ATOM 0 H SER A 15 -6.306 2.557 -7.273 1.00 0.00 H new ATOM 0 HA SER A 15 -4.089 1.316 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.672 0.550 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.027 2.206 -4.886 1.00 0.00 H new ATOM 0 HG SER A 15 -7.727 0.228 -4.883 1.00 0.00 H new ATOM 182 N SER A 16 -5.756 -0.626 -8.081 1.00 0.00 N ATOM 183 CA SER A 16 -5.829 -1.960 -8.664 1.00 0.00 C ATOM 184 C SER A 16 -4.586 -2.259 -9.496 1.00 0.00 C ATOM 185 O SER A 16 -4.051 -3.367 -9.457 1.00 0.00 O ATOM 186 CB SER A 16 -7.082 -2.093 -9.531 1.00 0.00 C ATOM 187 OG SER A 16 -7.230 -3.417 -10.014 1.00 0.00 O ATOM 0 H SER A 16 -6.250 0.093 -8.610 1.00 0.00 H new ATOM 0 HA SER A 16 -5.881 -2.683 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.961 -1.814 -8.950 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.022 -1.401 -10.371 1.00 0.00 H new ATOM 0 HG SER A 16 -8.039 -3.476 -10.564 1.00 0.00 H new ATOM 193 N ASP A 17 -4.133 -1.263 -10.249 1.00 0.00 N ATOM 194 CA ASP A 17 -2.953 -1.417 -11.092 1.00 0.00 C ATOM 195 C ASP A 17 -1.729 -1.773 -10.253 1.00 0.00 C ATOM 196 O ASP A 17 -0.990 -0.893 -9.810 1.00 0.00 O ATOM 197 CB ASP A 17 -2.690 -0.132 -11.879 1.00 0.00 C ATOM 198 CG ASP A 17 -1.552 -0.281 -12.869 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.464 -0.738 -12.458 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.749 0.058 -14.054 1.00 0.00 O ATOM 0 H ASP A 17 -4.565 -0.340 -10.293 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.141 -2.231 -11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.596 0.156 -12.412 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.459 0.675 -11.184 1.00 0.00 H new ATOM 205 N ARG A 18 -1.522 -3.068 -10.037 1.00 0.00 N ATOM 206 CA ARG A 18 -0.390 -3.540 -9.250 1.00 0.00 C ATOM 207 C ARG A 18 0.928 -3.060 -9.851 1.00 0.00 C ATOM 208 O ARG A 18 1.867 -2.727 -9.128 1.00 0.00 O ATOM 209 CB ARG A 18 -0.400 -5.067 -9.168 1.00 0.00 C ATOM 210 CG ARG A 18 -1.175 -5.608 -7.977 1.00 0.00 C ATOM 211 CD ARG A 18 -1.784 -6.968 -8.281 1.00 0.00 C ATOM 212 NE ARG A 18 -2.820 -7.331 -7.318 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.701 -8.304 -7.518 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.671 -9.010 -8.640 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.615 -8.575 -6.594 1.00 0.00 N ATOM 0 H ARG A 18 -2.124 -3.809 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.482 -3.129 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.832 -5.469 -10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.628 -5.426 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.511 -5.689 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.964 -4.907 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.209 -6.959 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.001 -7.726 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.870 -6.808 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.970 -8.806 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.349 -9.757 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.641 -8.035 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.291 -9.323 -6.749 1.00 0.00 H new ATOM 229 N SER A 19 0.991 -3.029 -11.178 1.00 0.00 N ATOM 230 CA SER A 19 2.195 -2.595 -11.877 1.00 0.00 C ATOM 231 C SER A 19 2.419 -1.097 -11.693 1.00 0.00 C ATOM 232 O SER A 19 3.395 -0.539 -12.193 1.00 0.00 O ATOM 233 CB SER A 19 2.094 -2.928 -13.367 1.00 0.00 C ATOM 234 OG SER A 19 3.256 -2.513 -14.062 1.00 0.00 O ATOM 0 H SER A 19 0.222 -3.299 -11.791 1.00 0.00 H new ATOM 0 HA SER A 19 3.045 -3.127 -11.450 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.954 -4.002 -13.494 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.218 -2.440 -13.793 1.00 0.00 H new ATOM 0 HG SER A 19 3.652 -1.741 -13.606 1.00 0.00 H new ATOM 240 N ALA A 20 1.508 -0.453 -10.972 1.00 0.00 N ATOM 241 CA ALA A 20 1.606 0.979 -10.720 1.00 0.00 C ATOM 242 C ALA A 20 1.989 1.257 -9.270 1.00 0.00 C ATOM 243 O ALA A 20 2.605 2.278 -8.966 1.00 0.00 O ATOM 244 CB ALA A 20 0.292 1.667 -11.062 1.00 0.00 C ATOM 0 H ALA A 20 0.693 -0.900 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 20 2.392 1.382 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.380 2.736 -10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.060 1.506 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.507 1.252 -10.447 1.00 0.00 H new ATOM 250 N TRP A 21 1.620 0.342 -8.381 1.00 0.00 N ATOM 251 CA TRP A 21 1.924 0.489 -6.962 1.00 0.00 C ATOM 252 C TRP A 21 2.630 -0.751 -6.425 1.00 0.00 C ATOM 253 O TRP A 21 3.596 -0.649 -5.670 1.00 0.00 O ATOM 254 CB TRP A 21 0.643 0.746 -6.168 1.00 0.00 C ATOM 255 CG TRP A 21 -0.442 -0.249 -6.452 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.443 -0.129 -7.373 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.634 -1.514 -5.810 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.246 -1.243 -7.342 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.771 -2.108 -6.392 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.045 -2.203 -4.802 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.242 -3.357 -5.997 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.424 -3.443 -4.410 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.558 -4.010 -5.007 1.00 0.00 C ATOM 0 H TRP A 21 1.110 -0.509 -8.617 1.00 0.00 H new ATOM 0 HA TRP A 21 2.592 1.343 -6.846 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.874 0.727 -5.103 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.277 1.747 -6.397 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.583 0.717 -8.029 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.064 -1.401 -7.931 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.921 -1.775 -4.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.116 -3.795 -6.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.092 -3.984 -3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.899 -4.981 -4.680 1.00 0.00 H new ATOM 274 N TYR A 22 2.141 -1.922 -6.820 1.00 0.00 N ATOM 275 CA TYR A 22 2.723 -3.182 -6.376 1.00 0.00 C ATOM 276 C TYR A 22 4.109 -3.385 -6.982 1.00 0.00 C ATOM 277 O TYR A 22 4.250 -3.559 -8.192 1.00 0.00 O ATOM 278 CB TYR A 22 1.812 -4.351 -6.755 1.00 0.00 C ATOM 279 CG TYR A 22 2.196 -5.657 -6.096 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.323 -5.750 -4.716 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.431 -6.797 -6.854 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.674 -6.941 -4.110 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.782 -7.992 -6.257 1.00 0.00 C ATOM 284 CZ TYR A 22 2.902 -8.059 -4.884 1.00 0.00 C ATOM 285 OH TYR A 22 3.251 -9.247 -4.284 1.00 0.00 O ATOM 0 H TYR A 22 1.343 -2.024 -7.447 1.00 0.00 H new ATOM 0 HA TYR A 22 2.822 -3.145 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.786 -4.104 -6.482 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.832 -4.480 -7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.144 -4.877 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.338 -6.748 -7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.769 -6.996 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.962 -8.869 -6.861 1.00 0.00 H new ATOM 0 HH TYR A 22 2.987 -9.227 -3.340 1.00 0.00 H new ATOM 295 N MET A 23 5.129 -3.362 -6.130 1.00 0.00 N ATOM 296 CA MET A 23 6.504 -3.546 -6.580 1.00 0.00 C ATOM 297 C MET A 23 6.927 -5.006 -6.455 1.00 0.00 C ATOM 298 O MET A 23 8.033 -5.377 -6.844 1.00 0.00 O ATOM 299 CB MET A 23 7.451 -2.657 -5.771 1.00 0.00 C ATOM 300 CG MET A 23 6.960 -1.226 -5.620 1.00 0.00 C ATOM 301 SD MET A 23 7.465 -0.170 -6.991 1.00 0.00 S ATOM 302 CE MET A 23 6.498 1.300 -6.660 1.00 0.00 C ATOM 0 H MET A 23 5.029 -3.218 -5.125 1.00 0.00 H new ATOM 0 HA MET A 23 6.557 -3.260 -7.630 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.588 -3.092 -4.781 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.429 -2.648 -6.253 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.872 -1.225 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.342 -0.811 -4.687 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.647 2.022 -7.463 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.442 1.035 -6.601 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.815 1.739 -5.714 1.00 0.00 H new ATOM 312 N GLY A 24 6.038 -5.830 -5.908 1.00 0.00 N ATOM 313 CA GLY A 24 6.338 -7.240 -5.741 1.00 0.00 C ATOM 314 C GLY A 24 7.827 -7.507 -5.633 1.00 0.00 C ATOM 315 O GLY A 24 8.400 -7.515 -4.544 1.00 0.00 O ATOM 0 H GLY A 24 5.116 -5.546 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.840 -7.611 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.932 -7.797 -6.585 1.00 0.00 H new ATOM 319 N PRO A 25 8.476 -7.733 -6.785 1.00 0.00 N ATOM 320 CA PRO A 25 9.916 -8.007 -6.841 1.00 0.00 C ATOM 321 C PRO A 25 10.753 -6.780 -6.495 1.00 0.00 C ATOM 322 O PRO A 25 11.284 -6.109 -7.381 1.00 0.00 O ATOM 323 CB PRO A 25 10.142 -8.416 -8.298 1.00 0.00 C ATOM 324 CG PRO A 25 9.037 -7.760 -9.052 1.00 0.00 C ATOM 325 CD PRO A 25 7.857 -7.738 -8.120 1.00 0.00 C ATOM 0 HA PRO A 25 10.215 -8.767 -6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.117 -8.084 -8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.112 -9.499 -8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.316 -6.750 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.805 -8.312 -9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.236 -6.856 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.216 -8.608 -8.262 1.00 0.00 H new ATOM 333 N VAL A 26 10.868 -6.493 -5.203 1.00 0.00 N ATOM 334 CA VAL A 26 11.643 -5.347 -4.740 1.00 0.00 C ATOM 335 C VAL A 26 12.204 -5.591 -3.344 1.00 0.00 C ATOM 336 O VAL A 26 11.501 -6.075 -2.457 1.00 0.00 O ATOM 337 CB VAL A 26 10.791 -4.064 -4.722 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.420 -3.018 -3.815 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.614 -3.522 -6.132 1.00 0.00 C ATOM 0 H VAL A 26 10.435 -7.038 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 26 12.467 -5.217 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 26 9.806 -4.309 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.804 -2.119 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.489 -3.410 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.418 -2.774 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.010 -2.616 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.590 -3.292 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.115 -4.269 -6.749 1.00 0.00 H new ATOM 349 N SER A 27 13.476 -5.253 -3.156 1.00 0.00 N ATOM 350 CA SER A 27 14.134 -5.439 -1.868 1.00 0.00 C ATOM 351 C SER A 27 13.825 -4.277 -0.928 1.00 0.00 C ATOM 352 O SER A 27 13.454 -3.189 -1.369 1.00 0.00 O ATOM 353 CB SER A 27 15.647 -5.567 -2.058 1.00 0.00 C ATOM 354 OG SER A 27 16.247 -6.210 -0.947 1.00 0.00 O ATOM 0 H SER A 27 14.071 -4.849 -3.879 1.00 0.00 H new ATOM 0 HA SER A 27 13.752 -6.357 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.856 -6.132 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.085 -4.578 -2.190 1.00 0.00 H new ATOM 0 HG SER A 27 17.213 -6.281 -1.093 1.00 0.00 H new ATOM 360 N ARG A 28 13.982 -4.517 0.370 1.00 0.00 N ATOM 361 CA ARG A 28 13.719 -3.492 1.373 1.00 0.00 C ATOM 362 C ARG A 28 14.630 -2.286 1.170 1.00 0.00 C ATOM 363 O ARG A 28 14.170 -1.145 1.154 1.00 0.00 O ATOM 364 CB ARG A 28 13.915 -4.063 2.779 1.00 0.00 C ATOM 365 CG ARG A 28 13.575 -3.080 3.888 1.00 0.00 C ATOM 366 CD ARG A 28 13.159 -3.800 5.161 1.00 0.00 C ATOM 367 NE ARG A 28 13.296 -2.950 6.340 1.00 0.00 N ATOM 368 CZ ARG A 28 13.025 -3.357 7.575 1.00 0.00 C ATOM 369 NH1 ARG A 28 12.606 -4.596 7.792 1.00 0.00 N ATOM 370 NH2 ARG A 28 13.175 -2.524 8.597 1.00 0.00 N ATOM 0 H ARG A 28 14.290 -5.412 0.751 1.00 0.00 H new ATOM 0 HA ARG A 28 12.685 -3.166 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.295 -4.952 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.952 -4.381 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.439 -2.447 4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.769 -2.424 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.124 -4.129 5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.768 -4.695 5.287 1.00 0.00 H new ATOM 0 HE ARG A 28 13.617 -1.991 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.491 -5.240 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.399 -4.905 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.499 -1.570 8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.967 -2.837 9.545 1.00 0.00 H new ATOM 384 N GLN A 29 15.924 -2.548 1.015 1.00 0.00 N ATOM 385 CA GLN A 29 16.900 -1.483 0.814 1.00 0.00 C ATOM 386 C GLN A 29 16.494 -0.585 -0.349 1.00 0.00 C ATOM 387 O GLN A 29 16.756 0.618 -0.338 1.00 0.00 O ATOM 388 CB GLN A 29 18.287 -2.075 0.557 1.00 0.00 C ATOM 389 CG GLN A 29 18.678 -3.159 1.548 1.00 0.00 C ATOM 390 CD GLN A 29 20.177 -3.235 1.767 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.951 -3.338 0.815 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.594 -3.185 3.027 1.00 0.00 N ATOM 0 H GLN A 29 16.321 -3.488 1.025 1.00 0.00 H new ATOM 0 HA GLN A 29 16.933 -0.879 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.315 -2.488 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.027 -1.276 0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.184 -2.970 2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.318 -4.123 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.917 -3.099 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.591 -3.232 3.236 1.00 0.00 H new ATOM 401 N GLU A 30 15.852 -1.177 -1.352 1.00 0.00 N ATOM 402 CA GLU A 30 15.411 -0.429 -2.523 1.00 0.00 C ATOM 403 C GLU A 30 14.201 0.439 -2.191 1.00 0.00 C ATOM 404 O GLU A 30 14.293 1.666 -2.166 1.00 0.00 O ATOM 405 CB GLU A 30 15.067 -1.386 -3.667 1.00 0.00 C ATOM 406 CG GLU A 30 14.806 -0.685 -4.989 1.00 0.00 C ATOM 407 CD GLU A 30 15.191 -1.534 -6.185 1.00 0.00 C ATOM 408 OE1 GLU A 30 15.137 -2.776 -6.074 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.547 -0.955 -7.233 1.00 0.00 O ATOM 0 H GLU A 30 15.626 -2.171 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 30 16.228 0.221 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.886 -2.094 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.185 -1.965 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.749 -0.427 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.365 0.250 -5.017 1.00 0.00 H new ATOM 416 N ALA A 31 13.068 -0.207 -1.937 1.00 0.00 N ATOM 417 CA ALA A 31 11.840 0.505 -1.605 1.00 0.00 C ATOM 418 C ALA A 31 12.133 1.736 -0.753 1.00 0.00 C ATOM 419 O ALA A 31 11.400 2.723 -0.802 1.00 0.00 O ATOM 420 CB ALA A 31 10.872 -0.420 -0.882 1.00 0.00 C ATOM 0 H ALA A 31 12.975 -1.223 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 31 11.380 0.839 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.960 0.125 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.629 -1.267 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.333 -0.782 0.037 1.00 0.00 H new ATOM 426 N GLN A 32 13.208 1.670 0.025 1.00 0.00 N ATOM 427 CA GLN A 32 13.595 2.779 0.888 1.00 0.00 C ATOM 428 C GLN A 32 14.160 3.935 0.068 1.00 0.00 C ATOM 429 O GLN A 32 13.734 5.081 0.214 1.00 0.00 O ATOM 430 CB GLN A 32 14.628 2.316 1.918 1.00 0.00 C ATOM 431 CG GLN A 32 14.010 1.755 3.188 1.00 0.00 C ATOM 432 CD GLN A 32 14.902 1.937 4.400 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.396 0.965 4.974 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.114 3.186 4.798 1.00 0.00 N ATOM 0 H GLN A 32 13.826 0.860 0.075 1.00 0.00 H new ATOM 0 HA GLN A 32 12.704 3.128 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.264 1.555 1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.272 3.156 2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.053 2.245 3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.804 0.694 3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.685 3.962 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.706 3.370 5.608 1.00 0.00 H new ATOM 443 N THR A 33 15.124 3.626 -0.794 1.00 0.00 N ATOM 444 CA THR A 33 15.749 4.639 -1.636 1.00 0.00 C ATOM 445 C THR A 33 14.718 5.333 -2.519 1.00 0.00 C ATOM 446 O THR A 33 14.906 6.479 -2.925 1.00 0.00 O ATOM 447 CB THR A 33 16.845 4.028 -2.530 1.00 0.00 C ATOM 448 OG1 THR A 33 17.634 5.068 -3.118 1.00 0.00 O ATOM 449 CG2 THR A 33 16.233 3.168 -3.625 1.00 0.00 C ATOM 0 H THR A 33 15.489 2.683 -0.927 1.00 0.00 H new ATOM 0 HA THR A 33 16.202 5.371 -0.967 1.00 0.00 H new ATOM 0 HB THR A 33 17.481 3.398 -1.908 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.329 4.671 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.026 2.747 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.657 2.360 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.576 3.780 -4.244 1.00 0.00 H new ATOM 457 N ARG A 34 13.628 4.631 -2.811 1.00 0.00 N ATOM 458 CA ARG A 34 12.566 5.180 -3.647 1.00 0.00 C ATOM 459 C ARG A 34 11.672 6.118 -2.842 1.00 0.00 C ATOM 460 O ARG A 34 11.144 7.096 -3.372 1.00 0.00 O ATOM 461 CB ARG A 34 11.728 4.052 -4.250 1.00 0.00 C ATOM 462 CG ARG A 34 12.517 2.779 -4.512 1.00 0.00 C ATOM 463 CD ARG A 34 11.754 1.827 -5.419 1.00 0.00 C ATOM 464 NE ARG A 34 12.019 2.086 -6.832 1.00 0.00 N ATOM 465 CZ ARG A 34 11.280 2.898 -7.581 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.238 3.526 -7.054 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.585 3.083 -8.859 1.00 0.00 N ATOM 0 H ARG A 34 13.457 3.681 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 34 13.029 5.749 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.902 3.825 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.290 4.397 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.474 3.030 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.736 2.284 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.030 0.800 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.685 1.922 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 34 12.814 1.618 -7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.002 3.387 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.673 4.149 -7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.387 2.602 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.018 3.706 -9.434 1.00 0.00 H new ATOM 481 N LEU A 35 11.506 5.814 -1.560 1.00 0.00 N ATOM 482 CA LEU A 35 10.674 6.630 -0.681 1.00 0.00 C ATOM 483 C LEU A 35 11.530 7.382 0.334 1.00 0.00 C ATOM 484 O LEU A 35 11.010 7.966 1.284 1.00 0.00 O ATOM 485 CB LEU A 35 9.653 5.753 0.045 1.00 0.00 C ATOM 486 CG LEU A 35 8.842 4.799 -0.832 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.343 3.617 -0.016 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.677 5.531 -1.482 1.00 0.00 C ATOM 0 H LEU A 35 11.936 5.009 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 35 10.145 7.360 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.179 5.165 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.959 6.403 0.577 1.00 0.00 H new ATOM 0 HG LEU A 35 9.492 4.421 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.768 2.949 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.194 3.077 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.709 3.976 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.111 4.836 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.027 5.939 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.058 6.343 -2.101 1.00 0.00 H new ATOM 500 N GLN A 36 12.842 7.364 0.123 1.00 0.00 N ATOM 501 CA GLN A 36 13.768 8.045 1.019 1.00 0.00 C ATOM 502 C GLN A 36 14.014 9.479 0.561 1.00 0.00 C ATOM 503 O GLN A 36 14.627 9.712 -0.480 1.00 0.00 O ATOM 504 CB GLN A 36 15.094 7.286 1.090 1.00 0.00 C ATOM 505 CG GLN A 36 16.217 8.081 1.737 1.00 0.00 C ATOM 506 CD GLN A 36 16.091 8.147 3.246 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.874 7.537 3.974 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.101 8.891 3.726 1.00 0.00 N ATOM 0 H GLN A 36 13.287 6.886 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 36 13.319 8.072 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.945 6.363 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.395 7.003 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.174 7.629 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.221 9.093 1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.475 9.380 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.967 8.973 4.734 1.00 0.00 H new ATOM 517 N GLY A 37 13.529 10.437 1.345 1.00 0.00 N ATOM 518 CA GLY A 37 13.706 11.836 1.002 1.00 0.00 C ATOM 519 C GLY A 37 12.642 12.338 0.046 1.00 0.00 C ATOM 520 O GLY A 37 12.436 13.544 -0.085 1.00 0.00 O ATOM 0 H GLY A 37 13.017 10.269 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.684 12.436 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.689 11.975 0.552 1.00 0.00 H new ATOM 524 N GLN A 38 11.965 11.410 -0.623 1.00 0.00 N ATOM 525 CA GLN A 38 10.918 11.766 -1.573 1.00 0.00 C ATOM 526 C GLN A 38 9.824 12.586 -0.897 1.00 0.00 C ATOM 527 O GLN A 38 9.821 12.747 0.324 1.00 0.00 O ATOM 528 CB GLN A 38 10.315 10.506 -2.196 1.00 0.00 C ATOM 529 CG GLN A 38 11.201 9.867 -3.254 1.00 0.00 C ATOM 530 CD GLN A 38 11.874 10.890 -4.147 1.00 0.00 C ATOM 531 OE1 GLN A 38 13.033 11.248 -3.937 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.149 11.367 -5.152 1.00 0.00 N ATOM 0 H GLN A 38 12.123 10.407 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 38 11.368 12.372 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.121 9.778 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.353 10.756 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.963 9.259 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.601 9.194 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.192 11.042 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.549 12.058 -5.787 1.00 0.00 H new ATOM 541 N ARG A 39 8.898 13.102 -1.698 1.00 0.00 N ATOM 542 CA ARG A 39 7.800 13.907 -1.176 1.00 0.00 C ATOM 543 C ARG A 39 6.867 13.061 -0.314 1.00 0.00 C ATOM 544 O ARG A 39 6.590 11.904 -0.632 1.00 0.00 O ATOM 545 CB ARG A 39 7.013 14.541 -2.325 1.00 0.00 C ATOM 546 CG ARG A 39 6.400 13.527 -3.276 1.00 0.00 C ATOM 547 CD ARG A 39 5.118 14.053 -3.901 1.00 0.00 C ATOM 548 NE ARG A 39 4.138 14.445 -2.891 1.00 0.00 N ATOM 549 CZ ARG A 39 2.879 14.763 -3.173 1.00 0.00 C ATOM 550 NH1 ARG A 39 2.449 14.734 -4.426 1.00 0.00 N ATOM 551 NH2 ARG A 39 2.048 15.110 -2.199 1.00 0.00 N ATOM 0 H ARG A 39 8.886 12.977 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 39 8.225 14.696 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.220 15.164 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.675 15.200 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.116 13.284 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.191 12.602 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.348 14.910 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.688 13.286 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 39 4.436 14.476 -1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.085 14.467 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.482 14.979 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.375 15.133 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.082 15.354 -2.416 1.00 0.00 H new ATOM 565 N HIS A 40 6.388 13.645 0.779 1.00 0.00 N ATOM 566 CA HIS A 40 5.486 12.945 1.688 1.00 0.00 C ATOM 567 C HIS A 40 4.212 12.518 0.967 1.00 0.00 C ATOM 568 O HIS A 40 3.518 13.341 0.370 1.00 0.00 O ATOM 569 CB HIS A 40 5.137 13.836 2.881 1.00 0.00 C ATOM 570 CG HIS A 40 6.276 14.036 3.832 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.349 15.101 4.706 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.392 13.300 4.045 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.460 15.011 5.414 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.111 13.927 5.033 1.00 0.00 N ATOM 0 H HIS A 40 6.609 14.601 1.057 1.00 0.00 H new ATOM 0 HA HIS A 40 5.995 12.051 2.049 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.806 14.807 2.514 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.298 13.396 3.420 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.653 15.842 4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.666 12.389 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.782 15.706 6.175 1.00 0.00 H new ATOM 583 N GLY A 41 3.909 11.225 1.025 1.00 0.00 N ATOM 584 CA GLY A 41 2.719 10.711 0.372 1.00 0.00 C ATOM 585 C GLY A 41 3.001 9.473 -0.456 1.00 0.00 C ATOM 586 O GLY A 41 2.167 8.571 -0.539 1.00 0.00 O ATOM 0 H GLY A 41 4.467 10.524 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.967 10.477 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.297 11.485 -0.269 1.00 0.00 H new ATOM 590 N MET A 42 4.177 9.430 -1.072 1.00 0.00 N ATOM 591 CA MET A 42 4.566 8.293 -1.899 1.00 0.00 C ATOM 592 C MET A 42 4.421 6.986 -1.127 1.00 0.00 C ATOM 593 O MET A 42 4.617 6.945 0.088 1.00 0.00 O ATOM 594 CB MET A 42 6.008 8.457 -2.383 1.00 0.00 C ATOM 595 CG MET A 42 6.301 7.719 -3.679 1.00 0.00 C ATOM 596 SD MET A 42 7.928 8.112 -4.349 1.00 0.00 S ATOM 597 CE MET A 42 7.668 9.794 -4.906 1.00 0.00 C ATOM 0 H MET A 42 4.878 10.169 -1.015 1.00 0.00 H new ATOM 0 HA MET A 42 3.903 8.259 -2.763 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.217 9.518 -2.523 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.686 8.098 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.234 6.645 -3.504 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.538 7.970 -4.416 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.396 10.038 -5.680 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.661 9.891 -5.311 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.789 10.478 -4.066 1.00 0.00 H new ATOM 607 N PHE A 43 4.077 5.918 -1.840 1.00 0.00 N ATOM 608 CA PHE A 43 3.905 4.609 -1.222 1.00 0.00 C ATOM 609 C PHE A 43 4.128 3.493 -2.239 1.00 0.00 C ATOM 610 O PHE A 43 4.250 3.746 -3.439 1.00 0.00 O ATOM 611 CB PHE A 43 2.506 4.488 -0.615 1.00 0.00 C ATOM 612 CG PHE A 43 1.462 4.041 -1.598 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.202 2.694 -1.788 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.741 4.969 -2.332 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.243 2.280 -2.693 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.220 4.561 -3.238 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.470 3.215 -3.418 1.00 0.00 C ATOM 0 H PHE A 43 3.912 5.934 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 43 4.647 4.509 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.539 3.782 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.214 5.453 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.755 1.959 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.932 6.023 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.051 1.226 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.775 5.294 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.221 2.894 -4.124 1.00 0.00 H new ATOM 627 N LEU A 44 4.182 2.259 -1.752 1.00 0.00 N ATOM 628 CA LEU A 44 4.391 1.103 -2.617 1.00 0.00 C ATOM 629 C LEU A 44 4.147 -0.197 -1.858 1.00 0.00 C ATOM 630 O LEU A 44 4.269 -0.246 -0.634 1.00 0.00 O ATOM 631 CB LEU A 44 5.812 1.116 -3.185 1.00 0.00 C ATOM 632 CG LEU A 44 6.940 0.900 -2.175 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.094 -0.579 -1.856 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.246 1.473 -2.704 1.00 0.00 C ATOM 0 H LEU A 44 4.084 2.033 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 44 3.677 1.162 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.883 0.343 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.974 2.072 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 44 6.684 1.424 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.901 -0.714 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.164 -0.959 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.328 -1.126 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.037 1.310 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.508 0.978 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.129 2.542 -2.880 1.00 0.00 H new ATOM 646 N VAL A 45 3.802 -1.250 -2.593 1.00 0.00 N ATOM 647 CA VAL A 45 3.544 -2.552 -1.990 1.00 0.00 C ATOM 648 C VAL A 45 4.390 -3.638 -2.644 1.00 0.00 C ATOM 649 O VAL A 45 4.146 -4.025 -3.787 1.00 0.00 O ATOM 650 CB VAL A 45 2.057 -2.937 -2.102 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.766 -4.186 -1.284 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.173 -1.781 -1.660 1.00 0.00 C ATOM 0 H VAL A 45 3.695 -1.226 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 45 3.813 -2.472 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 45 1.833 -3.156 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.711 -4.443 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.374 -5.012 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.005 -3.999 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.126 -2.070 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.396 -1.528 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.363 -0.915 -2.294 1.00 0.00 H new ATOM 662 N ARG A 46 5.386 -4.127 -1.911 1.00 0.00 N ATOM 663 CA ARG A 46 6.269 -5.169 -2.421 1.00 0.00 C ATOM 664 C ARG A 46 6.099 -6.461 -1.627 1.00 0.00 C ATOM 665 O ARG A 46 5.383 -6.497 -0.627 1.00 0.00 O ATOM 666 CB ARG A 46 7.726 -4.707 -2.358 1.00 0.00 C ATOM 667 CG ARG A 46 8.214 -4.420 -0.948 1.00 0.00 C ATOM 668 CD ARG A 46 9.668 -3.975 -0.941 1.00 0.00 C ATOM 669 NE ARG A 46 10.337 -4.307 0.314 1.00 0.00 N ATOM 670 CZ ARG A 46 10.253 -3.562 1.411 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.533 -2.448 1.407 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.890 -3.930 2.515 1.00 0.00 N ATOM 0 H ARG A 46 5.601 -3.818 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 46 6.001 -5.363 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.361 -5.473 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.839 -3.807 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.593 -3.645 -0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.103 -5.314 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.196 -4.448 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.718 -2.899 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 46 10.899 -5.157 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.042 -2.161 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.470 -1.878 2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.445 -4.786 2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.825 -3.357 3.356 1.00 0.00 H new ATOM 686 N ASP A 47 6.762 -7.519 -2.081 1.00 0.00 N ATOM 687 CA ASP A 47 6.685 -8.814 -1.414 1.00 0.00 C ATOM 688 C ASP A 47 7.538 -8.825 -0.149 1.00 0.00 C ATOM 689 O ASP A 47 8.737 -8.551 -0.195 1.00 0.00 O ATOM 690 CB ASP A 47 7.139 -9.927 -2.360 1.00 0.00 C ATOM 691 CG ASP A 47 7.176 -11.283 -1.683 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.095 -11.869 -1.470 1.00 0.00 O ATOM 693 OD2 ASP A 47 8.287 -11.757 -1.364 1.00 0.00 O ATOM 0 H ASP A 47 7.359 -7.506 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 47 5.647 -8.989 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.465 -9.970 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.130 -9.690 -2.746 1.00 0.00 H new ATOM 698 N SER A 48 6.910 -9.141 0.979 1.00 0.00 N ATOM 699 CA SER A 48 7.610 -9.183 2.257 1.00 0.00 C ATOM 700 C SER A 48 8.605 -10.339 2.294 1.00 0.00 C ATOM 701 O SER A 48 8.223 -11.505 2.199 1.00 0.00 O ATOM 702 CB SER A 48 6.610 -9.319 3.407 1.00 0.00 C ATOM 703 OG SER A 48 7.185 -8.909 4.635 1.00 0.00 O ATOM 0 H SER A 48 5.918 -9.372 1.034 1.00 0.00 H new ATOM 0 HA SER A 48 8.160 -8.249 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.726 -8.717 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.279 -10.355 3.485 1.00 0.00 H new ATOM 0 HG SER A 48 6.525 -9.004 5.353 1.00 0.00 H new ATOM 766 N ASP A 54 3.139 -12.387 3.528 1.00 0.00 N ATOM 767 CA ASP A 54 3.028 -11.060 4.122 1.00 0.00 C ATOM 768 C ASP A 54 3.547 -9.991 3.166 1.00 0.00 C ATOM 769 O ASP A 54 4.412 -10.257 2.331 1.00 0.00 O ATOM 770 CB ASP A 54 3.802 -11.002 5.440 1.00 0.00 C ATOM 771 CG ASP A 54 3.163 -11.847 6.525 1.00 0.00 C ATOM 772 OD1 ASP A 54 3.412 -13.070 6.549 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.414 -11.284 7.350 1.00 0.00 O ATOM 0 HA ASP A 54 1.974 -10.864 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.824 -11.343 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.862 -9.967 5.777 1.00 0.00 H new ATOM 778 N TYR A 55 3.013 -8.781 3.293 1.00 0.00 N ATOM 779 CA TYR A 55 3.420 -7.672 2.438 1.00 0.00 C ATOM 780 C TYR A 55 3.872 -6.478 3.272 1.00 0.00 C ATOM 781 O TYR A 55 3.643 -6.427 4.480 1.00 0.00 O ATOM 782 CB TYR A 55 2.268 -7.260 1.520 1.00 0.00 C ATOM 783 CG TYR A 55 1.948 -8.282 0.452 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.958 -8.859 -0.309 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.638 -8.671 0.204 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.671 -9.792 -1.286 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.342 -9.605 -0.769 1.00 0.00 C ATOM 788 CZ TYR A 55 1.361 -10.163 -1.512 1.00 0.00 C ATOM 789 OH TYR A 55 1.070 -11.093 -2.484 1.00 0.00 O ATOM 0 H TYR A 55 2.297 -8.543 3.980 1.00 0.00 H new ATOM 0 HA TYR A 55 4.260 -8.005 1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.377 -7.087 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.517 -6.313 1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.984 -8.573 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.163 -8.235 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.467 -10.229 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.682 -9.897 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 55 0.102 -11.243 -2.514 1.00 0.00 H new ATOM 799 N VAL A 56 4.517 -5.517 2.618 1.00 0.00 N ATOM 800 CA VAL A 56 5.001 -4.322 3.297 1.00 0.00 C ATOM 801 C VAL A 56 4.669 -3.065 2.501 1.00 0.00 C ATOM 802 O VAL A 56 5.104 -2.906 1.359 1.00 0.00 O ATOM 803 CB VAL A 56 6.523 -4.384 3.526 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.991 -3.182 4.333 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.905 -5.683 4.218 1.00 0.00 C ATOM 0 H VAL A 56 4.716 -5.543 1.618 1.00 0.00 H new ATOM 0 HA VAL A 56 4.497 -4.281 4.263 1.00 0.00 H new ATOM 0 HB VAL A 56 7.020 -4.356 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.069 -3.243 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.752 -2.266 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.488 -3.175 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.984 -5.710 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.399 -5.744 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.606 -6.528 3.597 1.00 0.00 H new ATOM 815 N LEU A 57 3.895 -2.173 3.109 1.00 0.00 N ATOM 816 CA LEU A 57 3.504 -0.928 2.458 1.00 0.00 C ATOM 817 C LEU A 57 4.473 0.197 2.807 1.00 0.00 C ATOM 818 O LEU A 57 4.270 0.925 3.779 1.00 0.00 O ATOM 819 CB LEU A 57 2.083 -0.539 2.869 1.00 0.00 C ATOM 820 CG LEU A 57 1.649 0.885 2.518 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.694 1.101 1.013 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.253 1.165 3.057 1.00 0.00 C ATOM 0 H LEU A 57 3.526 -2.289 4.053 1.00 0.00 H new ATOM 0 HA LEU A 57 3.533 -1.086 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.387 -1.235 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.989 -0.671 3.947 1.00 0.00 H new ATOM 0 HG LEU A 57 2.344 1.582 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.382 2.120 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.711 0.942 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.022 0.396 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.040 2.183 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.454 0.461 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.252 1.052 4.141 1.00 0.00 H new ATOM 834 N SER A 58 5.525 0.335 2.007 1.00 0.00 N ATOM 835 CA SER A 58 6.526 1.371 2.232 1.00 0.00 C ATOM 836 C SER A 58 6.018 2.730 1.761 1.00 0.00 C ATOM 837 O SER A 58 5.741 2.926 0.577 1.00 0.00 O ATOM 838 CB SER A 58 7.826 1.020 1.505 1.00 0.00 C ATOM 839 OG SER A 58 8.323 -0.238 1.928 1.00 0.00 O ATOM 0 H SER A 58 5.706 -0.258 1.197 1.00 0.00 H new ATOM 0 HA SER A 58 6.720 1.427 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.651 1.003 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.572 1.792 1.694 1.00 0.00 H new ATOM 0 HG SER A 58 8.668 -0.163 2.842 1.00 0.00 H new ATOM 845 N VAL A 59 5.896 3.667 2.696 1.00 0.00 N ATOM 846 CA VAL A 59 5.422 5.008 2.378 1.00 0.00 C ATOM 847 C VAL A 59 6.352 6.070 2.954 1.00 0.00 C ATOM 848 O VAL A 59 6.864 5.926 4.064 1.00 0.00 O ATOM 849 CB VAL A 59 3.998 5.242 2.916 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.730 4.356 4.122 1.00 0.00 C ATOM 851 CG2 VAL A 59 3.796 6.709 3.266 1.00 0.00 C ATOM 0 H VAL A 59 6.119 3.521 3.681 1.00 0.00 H new ATOM 0 HA VAL A 59 5.410 5.090 1.291 1.00 0.00 H new ATOM 0 HB VAL A 59 3.285 4.976 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.719 4.536 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.831 3.310 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.447 4.587 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.785 6.857 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.516 7.003 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.943 7.319 2.375 1.00 0.00 H new ATOM 861 N SER A 60 6.566 7.138 2.191 1.00 0.00 N ATOM 862 CA SER A 60 7.437 8.224 2.624 1.00 0.00 C ATOM 863 C SER A 60 6.712 9.147 3.598 1.00 0.00 C ATOM 864 O SER A 60 5.706 9.766 3.251 1.00 0.00 O ATOM 865 CB SER A 60 7.929 9.024 1.416 1.00 0.00 C ATOM 866 OG SER A 60 8.737 10.115 1.821 1.00 0.00 O ATOM 0 H SER A 60 6.148 7.274 1.270 1.00 0.00 H new ATOM 0 HA SER A 60 8.295 7.787 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.498 8.373 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.075 9.392 0.847 1.00 0.00 H new ATOM 0 HG SER A 60 8.879 10.717 1.061 1.00 0.00 H new ATOM 872 N GLU A 61 7.230 9.234 4.819 1.00 0.00 N ATOM 873 CA GLU A 61 6.632 10.080 5.845 1.00 0.00 C ATOM 874 C GLU A 61 7.547 10.192 7.060 1.00 0.00 C ATOM 875 O GLU A 61 8.219 9.233 7.435 1.00 0.00 O ATOM 876 CB GLU A 61 5.271 9.523 6.267 1.00 0.00 C ATOM 877 CG GLU A 61 4.430 10.507 7.062 1.00 0.00 C ATOM 878 CD GLU A 61 4.687 11.948 6.664 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.273 12.339 5.552 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.301 12.684 7.464 1.00 0.00 O ATOM 0 H GLU A 61 8.063 8.729 5.122 1.00 0.00 H new ATOM 0 HA GLU A 61 6.494 11.076 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.719 9.223 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.425 8.624 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.374 10.277 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.641 10.384 8.124 1.00 0.00 H new ATOM 887 N ASN A 62 7.567 11.372 7.672 1.00 0.00 N ATOM 888 CA ASN A 62 8.401 11.611 8.844 1.00 0.00 C ATOM 889 C ASN A 62 9.879 11.443 8.505 1.00 0.00 C ATOM 890 O ASN A 62 10.606 10.724 9.190 1.00 0.00 O ATOM 891 CB ASN A 62 8.014 10.656 9.974 1.00 0.00 C ATOM 892 CG ASN A 62 6.934 11.229 10.872 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.164 12.197 11.597 1.00 0.00 O ATOM 894 ND2 ASN A 62 5.749 10.631 10.829 1.00 0.00 N ATOM 0 H ASN A 62 7.015 12.177 7.376 1.00 0.00 H new ATOM 0 HA ASN A 62 8.237 12.637 9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.666 9.715 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.897 10.428 10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.984 10.971 11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.603 9.831 10.213 1.00 0.00 H new ATOM 901 N SER A 63 10.316 12.112 7.443 1.00 0.00 N ATOM 902 CA SER A 63 11.706 12.035 7.010 1.00 0.00 C ATOM 903 C SER A 63 12.204 10.593 7.037 1.00 0.00 C ATOM 904 O SER A 63 13.376 10.334 7.312 1.00 0.00 O ATOM 905 CB SER A 63 12.590 12.908 7.902 1.00 0.00 C ATOM 906 OG SER A 63 13.886 13.057 7.348 1.00 0.00 O ATOM 0 H SER A 63 9.727 12.713 6.867 1.00 0.00 H new ATOM 0 HA SER A 63 11.762 12.402 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.130 13.888 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.664 12.462 8.894 1.00 0.00 H new ATOM 0 HG SER A 63 14.249 12.175 7.124 1.00 0.00 H new ATOM 912 N ARG A 64 11.305 9.657 6.750 1.00 0.00 N ATOM 913 CA ARG A 64 11.651 8.241 6.743 1.00 0.00 C ATOM 914 C ARG A 64 10.599 7.428 5.994 1.00 0.00 C ATOM 915 O ARG A 64 9.559 7.954 5.598 1.00 0.00 O ATOM 916 CB ARG A 64 11.789 7.721 8.175 1.00 0.00 C ATOM 917 CG ARG A 64 10.472 7.658 8.930 1.00 0.00 C ATOM 918 CD ARG A 64 10.684 7.301 10.393 1.00 0.00 C ATOM 919 NE ARG A 64 9.483 7.530 11.192 1.00 0.00 N ATOM 920 CZ ARG A 64 8.446 6.701 11.212 1.00 0.00 C ATOM 921 NH1 ARG A 64 8.462 5.595 10.481 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.389 6.977 11.965 1.00 0.00 N ATOM 0 H ARG A 64 10.331 9.854 6.519 1.00 0.00 H new ATOM 0 HA ARG A 64 12.606 8.128 6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.231 6.725 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.480 8.363 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.965 8.620 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.820 6.919 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.978 6.254 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.506 7.894 10.795 1.00 0.00 H new ATOM 0 HE ARG A 64 9.438 8.372 11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.273 5.379 9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.664 4.960 10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.373 7.827 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.593 6.340 11.980 1.00 0.00 H new ATOM 936 N VAL A 65 10.878 6.143 5.802 1.00 0.00 N ATOM 937 CA VAL A 65 9.957 5.257 5.101 1.00 0.00 C ATOM 938 C VAL A 65 9.120 4.446 6.084 1.00 0.00 C ATOM 939 O VAL A 65 9.616 3.512 6.714 1.00 0.00 O ATOM 940 CB VAL A 65 10.708 4.292 4.165 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.728 3.405 3.413 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.590 5.067 3.198 1.00 0.00 C ATOM 0 H VAL A 65 11.735 5.692 6.122 1.00 0.00 H new ATOM 0 HA VAL A 65 9.300 5.891 4.505 1.00 0.00 H new ATOM 0 HB VAL A 65 11.348 3.651 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.278 2.730 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.144 2.823 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.059 4.026 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.113 4.369 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.972 5.734 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.317 5.654 3.759 1.00 0.00 H new ATOM 952 N SER A 66 7.847 4.809 6.210 1.00 0.00 N ATOM 953 CA SER A 66 6.941 4.117 7.119 1.00 0.00 C ATOM 954 C SER A 66 6.559 2.747 6.567 1.00 0.00 C ATOM 955 O SER A 66 5.569 2.608 5.849 1.00 0.00 O ATOM 956 CB SER A 66 5.682 4.954 7.353 1.00 0.00 C ATOM 957 OG SER A 66 5.981 6.130 8.085 1.00 0.00 O ATOM 0 H SER A 66 7.420 5.578 5.694 1.00 0.00 H new ATOM 0 HA SER A 66 7.457 3.976 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.236 5.222 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.944 4.363 7.894 1.00 0.00 H new ATOM 0 HG SER A 66 5.161 6.649 8.220 1.00 0.00 H new ATOM 963 N HIS A 67 7.353 1.736 6.908 1.00 0.00 N ATOM 964 CA HIS A 67 7.099 0.376 6.447 1.00 0.00 C ATOM 965 C HIS A 67 5.835 -0.188 7.089 1.00 0.00 C ATOM 966 O HIS A 67 5.898 -0.876 8.108 1.00 0.00 O ATOM 967 CB HIS A 67 8.292 -0.525 6.767 1.00 0.00 C ATOM 968 CG HIS A 67 9.521 -0.195 5.977 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.721 -0.623 4.681 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.617 0.529 6.305 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.887 -0.179 4.248 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.450 0.523 5.214 1.00 0.00 N ATOM 0 H HIS A 67 8.177 1.833 7.501 1.00 0.00 H new ATOM 0 HA HIS A 67 6.955 0.406 5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.521 -0.446 7.830 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.015 -1.562 6.576 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.802 1.020 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.308 -0.359 3.270 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.357 0.986 5.159 1.00 0.00 H new ATOM 981 N TYR A 68 4.689 0.109 6.487 1.00 0.00 N ATOM 982 CA TYR A 68 3.409 -0.365 7.001 1.00 0.00 C ATOM 983 C TYR A 68 3.160 -1.813 6.590 1.00 0.00 C ATOM 984 O TYR A 68 2.626 -2.081 5.513 1.00 0.00 O ATOM 985 CB TYR A 68 2.272 0.523 6.496 1.00 0.00 C ATOM 986 CG TYR A 68 2.117 1.810 7.275 1.00 0.00 C ATOM 987 CD1 TYR A 68 1.911 1.793 8.649 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.177 3.043 6.636 1.00 0.00 C ATOM 989 CE1 TYR A 68 1.769 2.966 9.364 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.037 4.221 7.344 1.00 0.00 C ATOM 991 CZ TYR A 68 1.832 4.178 8.707 1.00 0.00 C ATOM 992 OH TYR A 68 1.692 5.349 9.416 1.00 0.00 O ATOM 0 H TYR A 68 4.620 0.676 5.642 1.00 0.00 H new ATOM 0 HA TYR A 68 3.443 -0.316 8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.447 0.762 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.337 -0.036 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.861 0.846 9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.336 3.081 5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.609 2.935 10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.088 5.171 6.833 1.00 0.00 H new ATOM 0 HH TYR A 68 2.572 5.653 9.722 1.00 0.00 H new ATOM 1002 N ILE A 69 3.550 -2.743 7.456 1.00 0.00 N ATOM 1003 CA ILE A 69 3.367 -4.163 7.184 1.00 0.00 C ATOM 1004 C ILE A 69 1.890 -4.508 7.030 1.00 0.00 C ATOM 1005 O ILE A 69 1.034 -3.935 7.705 1.00 0.00 O ATOM 1006 CB ILE A 69 3.971 -5.032 8.303 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.479 -4.795 8.405 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.676 -6.503 8.049 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.103 -5.397 9.644 1.00 0.00 C ATOM 0 H ILE A 69 3.994 -2.538 8.351 1.00 0.00 H new ATOM 0 HA ILE A 69 3.886 -4.375 6.249 1.00 0.00 H new ATOM 0 HB ILE A 69 3.513 -4.748 9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.965 -5.213 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.671 -3.722 8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.109 -7.104 8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.597 -6.658 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.110 -6.802 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.173 -5.190 9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.644 -4.961 10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.942 -6.475 9.645 1.00 0.00 H new ATOM 1021 N ILE A 70 1.597 -5.448 6.138 1.00 0.00 N ATOM 1022 CA ILE A 70 0.224 -5.871 5.897 1.00 0.00 C ATOM 1023 C ILE A 70 0.032 -7.342 6.250 1.00 0.00 C ATOM 1024 O ILE A 70 0.533 -8.228 5.558 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.184 -5.650 4.428 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.132 -4.161 4.081 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.576 -6.210 4.175 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.226 -3.700 3.598 1.00 0.00 C ATOM 0 H ILE A 70 2.293 -5.931 5.570 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.411 -5.260 6.538 1.00 0.00 H new ATOM 0 HB ILE A 70 0.521 -6.179 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.874 -3.950 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.412 -3.581 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.850 -6.046 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.582 -7.279 4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.294 -5.707 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.189 -2.635 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.969 -3.879 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.500 -4.253 2.700 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.700 -7.596 7.330 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.960 -8.960 7.775 1.00 0.00 C ATOM 1042 C ASN A 71 -1.951 -9.655 6.847 1.00 0.00 C ATOM 1043 O ASN A 71 -2.983 -9.088 6.487 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.499 -8.958 9.207 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.506 -8.382 10.198 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.862 -7.562 11.045 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.747 -8.810 10.096 1.00 0.00 N ATOM 0 H ASN A 71 -1.124 -6.874 7.913 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.019 -9.510 7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.422 -8.380 9.244 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.750 -9.978 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.460 -8.458 10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.997 -9.491 9.378 1.00 0.00 H new ATOM 1054 N SER A 72 -1.632 -10.887 6.464 1.00 0.00 N ATOM 1055 CA SER A 72 -2.493 -11.659 5.576 1.00 0.00 C ATOM 1056 C SER A 72 -3.476 -12.509 6.375 1.00 0.00 C ATOM 1057 O SER A 72 -3.086 -13.464 7.046 1.00 0.00 O ATOM 1058 CB SER A 72 -1.650 -12.554 4.665 1.00 0.00 C ATOM 1059 OG SER A 72 -2.459 -13.214 3.708 1.00 0.00 O ATOM 0 H SER A 72 -0.783 -11.372 6.755 1.00 0.00 H new ATOM 0 HA SER A 72 -3.061 -10.959 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.896 -11.953 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.118 -13.291 5.266 1.00 0.00 H new ATOM 0 HG SER A 72 -1.896 -13.778 3.137 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.754 -12.153 6.297 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.795 -12.882 7.013 1.00 0.00 C ATOM 1067 C LEU A 73 -6.243 -14.108 6.223 1.00 0.00 C ATOM 1068 O LEU A 73 -6.213 -14.129 4.992 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.992 -11.968 7.281 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.675 -10.615 7.918 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.889 -9.701 7.863 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.207 -10.798 9.354 1.00 0.00 C ATOM 0 H LEU A 73 -5.094 -11.365 5.746 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.381 -13.217 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.507 -11.791 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.690 -12.498 7.930 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.869 -10.148 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.644 -8.743 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.179 -9.543 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.716 -10.161 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.986 -9.824 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.991 -11.286 9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.308 -11.415 9.368 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.671 -15.154 6.945 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.136 -16.401 6.333 1.00 0.00 C ATOM 1086 C PRO A 74 -8.468 -16.231 5.610 1.00 0.00 C ATOM 1087 O PRO A 74 -8.930 -17.138 4.919 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.293 -17.346 7.527 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.525 -16.447 8.693 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.734 -15.198 8.416 1.00 0.00 C ATOM 0 HA PRO A 74 -6.444 -16.764 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.129 -18.031 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.401 -17.956 7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.585 -16.221 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.199 -16.918 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.223 -14.314 8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.740 -15.245 8.860 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.079 -15.062 5.773 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.359 -14.773 5.135 1.00 0.00 C ATOM 1100 C ASN A 75 -10.154 -14.038 3.814 1.00 0.00 C ATOM 1101 O ASN A 75 -11.040 -13.324 3.346 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.239 -13.936 6.066 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.972 -14.228 7.530 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -10.889 -15.386 7.939 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -10.837 -13.175 8.328 1.00 0.00 N ATOM 0 H ASN A 75 -8.709 -14.300 6.341 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.857 -15.721 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.065 -12.878 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.288 -14.133 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.657 -13.309 9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.913 -12.232 7.946 1.00 0.00 H new ATOM 1112 N ARG A 76 -8.980 -14.220 3.218 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.659 -13.574 1.951 1.00 0.00 C ATOM 1114 C ARG A 76 -8.675 -12.055 2.095 1.00 0.00 C ATOM 1115 O ARG A 76 -8.919 -11.332 1.129 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.650 -14.004 0.868 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.493 -15.454 0.440 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.019 -15.679 -0.969 1.00 0.00 C ATOM 1119 NE ARG A 76 -9.623 -16.981 -1.500 1.00 0.00 N ATOM 1120 CZ ARG A 76 -10.135 -18.132 -1.080 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -11.058 -18.143 -0.128 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -9.723 -19.276 -1.612 1.00 0.00 N ATOM 0 H ARG A 76 -8.236 -14.809 3.592 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.656 -13.884 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.665 -13.850 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.525 -13.361 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.441 -15.736 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.027 -16.100 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.106 -15.604 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.647 -14.892 -1.625 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.915 -17.007 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.377 -17.266 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.449 -19.029 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.013 -19.271 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.117 -20.160 -1.289 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.413 -11.578 3.308 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.400 -10.146 3.580 1.00 0.00 C ATOM 1138 C ARG A 77 -7.075 -9.725 4.209 1.00 0.00 C ATOM 1139 O ARG A 77 -6.363 -10.544 4.789 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.559 -9.769 4.504 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.835 -9.405 3.764 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.620 -10.644 3.363 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.016 -10.336 3.065 1.00 0.00 N ATOM 1144 CZ ARG A 77 -13.890 -9.928 3.978 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.514 -9.781 5.241 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.143 -9.667 3.629 1.00 0.00 N ATOM 0 H ARG A 77 -8.207 -12.163 4.118 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.516 -9.621 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.764 -10.603 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.257 -8.926 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.455 -8.769 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.588 -8.826 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.155 -11.100 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.575 -11.378 4.168 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.338 -10.440 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.552 -9.981 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.187 -9.468 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.436 -9.780 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.813 -9.354 4.331 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.752 -8.441 4.091 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.512 -7.911 4.647 1.00 0.00 C ATOM 1162 C PHE A 78 -5.788 -7.085 5.900 1.00 0.00 C ATOM 1163 O PHE A 78 -6.830 -6.440 6.017 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.788 -7.054 3.607 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.205 -7.850 2.475 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.242 -8.817 2.714 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.622 -7.633 1.171 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.704 -9.551 1.673 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.088 -8.364 0.127 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.128 -9.325 0.379 1.00 0.00 C ATOM 0 H PHE A 78 -7.331 -7.749 3.616 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.876 -8.753 4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.486 -6.320 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.990 -6.498 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.908 -9.000 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.373 -6.884 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.953 -10.301 1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.421 -8.184 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.710 -9.898 -0.435 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.846 -7.110 6.837 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.984 -6.364 8.082 1.00 0.00 C ATOM 1182 C LYS A 79 -3.752 -5.503 8.341 1.00 0.00 C ATOM 1183 O LYS A 79 -2.716 -6.003 8.781 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.204 -7.324 9.254 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.308 -6.627 10.599 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.129 -7.605 11.749 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.129 -6.892 13.092 1.00 0.00 C ATOM 1188 NZ LYS A 79 -4.907 -7.836 14.222 1.00 0.00 N ATOM 0 H LYS A 79 -3.978 -7.640 6.757 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.850 -5.709 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.116 -7.895 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.381 -8.038 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.552 -5.845 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.279 -6.139 10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.930 -8.344 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.192 -8.148 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.350 -6.129 13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.080 -6.378 13.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.914 -7.311 15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.664 -8.549 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.988 -8.308 14.104 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.872 -4.209 8.066 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.768 -3.280 8.272 1.00 0.00 C ATOM 1204 C ILE A 80 -2.825 -2.657 9.663 1.00 0.00 C ATOM 1205 O ILE A 80 -3.617 -1.751 9.917 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.774 -2.156 7.219 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.671 -1.139 7.519 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.134 -1.474 7.179 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.142 -0.440 6.287 1.00 0.00 C ATOM 0 H ILE A 80 -4.722 -3.780 7.700 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.848 -3.857 8.172 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.580 -2.595 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.056 -0.392 8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.847 -1.646 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.122 -0.682 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.900 -2.205 6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.355 -1.045 8.157 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.363 0.266 6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.727 -1.178 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.954 0.096 5.796 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.978 -3.150 10.561 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.947 -2.630 11.916 1.00 0.00 C ATOM 1223 C GLY A 81 -3.137 -3.082 12.738 1.00 0.00 C ATOM 1224 O GLY A 81 -3.216 -4.242 13.142 1.00 0.00 O ATOM 0 H GLY A 81 -1.313 -3.900 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.028 -2.953 12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.925 -1.541 11.883 1.00 0.00 H new ATOM 1228 N ASP A 82 -4.065 -2.165 12.988 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.257 -2.475 13.768 1.00 0.00 C ATOM 1230 C ASP A 82 -6.516 -2.322 12.921 1.00 0.00 C ATOM 1231 O ASP A 82 -7.621 -2.208 13.450 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.340 -1.567 14.996 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.328 -1.939 16.061 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.656 -2.782 16.922 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.207 -1.388 16.034 1.00 0.00 O ATOM 0 H ASP A 82 -4.014 -1.200 12.661 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.186 -3.512 14.097 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.179 -0.533 14.691 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.344 -1.622 15.418 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.340 -2.320 11.603 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.463 -2.179 10.683 1.00 0.00 C ATOM 1242 C GLN A 83 -7.515 -3.348 9.705 1.00 0.00 C ATOM 1243 O GLN A 83 -6.505 -4.003 9.453 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.357 -0.860 9.915 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.056 0.338 10.801 1.00 0.00 C ATOM 1246 CD GLN A 83 -5.569 0.567 10.988 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -4.782 0.400 10.056 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -5.176 0.952 12.196 1.00 0.00 N ATOM 0 H GLN A 83 -5.432 -2.414 11.149 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.383 -2.178 11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.574 -0.950 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.292 -0.683 9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.505 1.230 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.522 0.191 11.775 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.863 1.078 12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.187 1.122 12.381 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.700 -3.603 9.159 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.883 -4.694 8.209 1.00 0.00 C ATOM 1259 C GLU A 84 -9.643 -4.219 6.974 1.00 0.00 C ATOM 1260 O GLU A 84 -10.556 -3.398 7.071 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.633 -5.853 8.869 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.929 -6.417 10.091 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.867 -7.183 11.004 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.928 -7.631 10.521 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.540 -7.335 12.199 1.00 0.00 O ATOM 0 H GLU A 84 -9.546 -3.070 9.358 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.897 -5.039 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.628 -5.513 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.768 -6.650 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.123 -7.076 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.470 -5.601 10.650 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.260 -4.741 5.814 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.903 -4.370 4.559 1.00 0.00 C ATOM 1274 C PHE A 85 -10.251 -5.609 3.739 1.00 0.00 C ATOM 1275 O PHE A 85 -9.955 -6.735 4.139 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.992 -3.446 3.748 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.706 -2.138 4.427 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.587 -1.075 4.313 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.556 -1.971 5.182 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.326 0.130 4.936 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.289 -0.768 5.808 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.176 0.283 5.686 1.00 0.00 C ATOM 0 H PHE A 85 -8.507 -5.422 5.717 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.827 -3.842 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.050 -3.958 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.455 -3.250 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.489 -1.190 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.860 -2.791 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.020 0.951 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.388 -0.650 6.392 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.971 1.223 6.176 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.881 -5.392 2.589 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.269 -6.490 1.711 1.00 0.00 C ATOM 1294 C ASP A 86 -10.060 -7.040 0.961 1.00 0.00 C ATOM 1295 O ASP A 86 -10.003 -8.227 0.639 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.333 -6.024 0.717 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.015 -7.181 0.014 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -12.464 -8.302 0.045 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.100 -6.966 -0.566 1.00 0.00 O ATOM 0 H ASP A 86 -11.134 -4.466 2.243 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.684 -7.287 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.081 -5.430 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.872 -5.372 -0.025 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.094 -6.168 0.685 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.886 -6.566 -0.028 1.00 0.00 C ATOM 1306 C HIS A 87 -6.903 -5.403 -0.123 1.00 0.00 C ATOM 1307 O HIS A 87 -7.133 -4.334 0.445 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.237 -7.068 -1.428 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.387 -6.342 -2.054 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.279 -5.070 -2.577 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.674 -6.716 -2.242 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.451 -4.693 -3.057 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.315 -5.674 -2.866 1.00 0.00 N ATOM 0 H HIS A 87 -9.125 -5.182 0.944 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.413 -7.373 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.362 -6.968 -2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.474 -8.131 -1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.115 -7.659 -1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.666 -3.744 -3.526 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.298 -5.660 -3.138 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.807 -5.619 -0.842 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.788 -4.588 -1.011 1.00 0.00 C ATOM 1324 C LEU A 88 -5.391 -3.318 -1.603 1.00 0.00 C ATOM 1325 O LEU A 88 -5.353 -2.245 -1.002 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.662 -5.100 -1.910 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.451 -5.700 -1.195 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.423 -6.188 -2.203 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.832 -4.682 -0.249 1.00 0.00 C ATOM 0 H LEU A 88 -5.601 -6.498 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.380 -4.350 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.074 -5.855 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.318 -4.275 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.787 -6.555 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.569 -6.612 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.871 -6.951 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.091 -5.352 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.972 -5.126 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.511 -3.807 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.569 -4.382 0.496 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.963 -3.442 -2.810 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.587 -2.315 -3.509 1.00 0.00 C ATOM 1343 C PRO A 89 -7.877 -1.858 -2.836 1.00 0.00 C ATOM 1344 O PRO A 89 -8.614 -1.035 -3.379 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.882 -2.880 -4.901 1.00 0.00 C ATOM 1346 CG PRO A 89 -6.999 -4.351 -4.696 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.045 -4.691 -3.585 1.00 0.00 C ATOM 0 HA PRO A 89 -5.944 -1.435 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.802 -2.463 -5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.083 -2.640 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.020 -4.628 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.746 -4.893 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.414 -5.517 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.070 -4.989 -3.970 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.143 -2.397 -1.651 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.343 -2.042 -0.903 1.00 0.00 C ATOM 1357 C ALA A 90 -9.001 -1.179 0.307 1.00 0.00 C ATOM 1358 O ALA A 90 -9.850 -0.454 0.826 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.083 -3.298 -0.465 1.00 0.00 C ATOM 0 H ALA A 90 -7.544 -3.081 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.991 -1.461 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.977 -3.018 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.369 -3.876 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.433 -3.900 0.170 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.752 -1.263 0.753 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.297 -0.489 1.903 1.00 0.00 C ATOM 1367 C LEU A 91 -6.689 0.838 1.461 1.00 0.00 C ATOM 1368 O LEU A 91 -6.905 1.873 2.093 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.272 -1.290 2.708 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.890 -1.442 2.071 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.980 -0.297 2.492 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.273 -2.781 2.448 1.00 0.00 C ATOM 0 H LEU A 91 -7.037 -1.859 0.336 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.161 -0.279 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.151 -0.814 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.679 -2.285 2.888 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.005 -1.410 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.001 -0.421 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.415 0.650 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.872 -0.298 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.290 -2.872 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.172 -2.843 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.915 -3.589 2.097 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.930 0.801 0.372 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.292 2.002 -0.157 1.00 0.00 C ATOM 1386 C LEU A 92 -6.334 3.047 -0.542 1.00 0.00 C ATOM 1387 O LEU A 92 -6.103 4.248 -0.400 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.430 1.652 -1.372 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.411 0.531 -1.171 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.862 0.062 -2.510 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.281 0.993 -0.263 1.00 0.00 C ATOM 0 H LEU A 92 -5.741 -0.047 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.656 2.420 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.091 1.372 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.896 2.550 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.914 -0.309 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.138 -0.736 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.679 -0.310 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.375 0.896 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.565 0.182 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.780 1.850 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.688 1.279 0.707 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.480 2.582 -1.028 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.558 3.478 -1.432 1.00 0.00 C ATOM 1405 C GLU A 93 -9.232 4.102 -0.213 1.00 0.00 C ATOM 1406 O GLU A 93 -9.796 5.193 -0.293 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.592 2.723 -2.270 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.163 1.499 -1.573 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.500 1.072 -2.147 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.591 0.907 -3.381 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.456 0.904 -1.360 1.00 0.00 O ATOM 0 H GLU A 93 -7.686 1.591 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.126 4.276 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.408 3.401 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.132 2.415 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.455 0.674 -1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.279 1.712 -0.510 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.169 3.401 0.914 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.775 3.884 2.149 1.00 0.00 C ATOM 1420 C PHE A 94 -8.833 4.836 2.880 1.00 0.00 C ATOM 1421 O PHE A 94 -9.266 5.653 3.694 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.137 2.708 3.059 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.066 3.080 4.178 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.412 3.300 3.934 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.594 3.209 5.475 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.270 3.644 4.963 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.447 3.552 6.507 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.787 3.768 6.251 1.00 0.00 C ATOM 0 H PHE A 94 -8.705 2.497 0.998 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.684 4.427 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.599 1.924 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.223 2.290 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.796 3.202 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.548 3.040 5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.317 3.815 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.066 3.651 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.456 4.033 7.056 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.542 4.724 2.586 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.538 5.572 3.216 1.00 0.00 C ATOM 1440 C TYR A 95 -6.410 6.903 2.482 1.00 0.00 C ATOM 1441 O TYR A 95 -5.992 7.907 3.060 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.184 4.860 3.244 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.964 4.025 4.486 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.236 4.538 5.748 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.484 2.724 4.396 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.037 3.779 6.885 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.283 1.958 5.528 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.561 2.490 6.770 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.360 1.730 7.900 1.00 0.00 O ATOM 0 H TYR A 95 -7.167 4.054 1.915 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.858 5.772 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.102 4.219 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.390 5.604 3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.609 5.547 5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.264 2.305 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.253 4.193 7.859 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.910 0.948 5.441 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.226 1.464 8.274 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.773 6.904 1.204 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.702 8.110 0.389 1.00 0.00 C ATOM 1461 C LYS A 96 -7.379 9.283 1.092 1.00 0.00 C ATOM 1462 O LYS A 96 -7.129 10.443 0.764 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.359 7.870 -0.972 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.524 7.012 -1.907 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.384 6.346 -2.969 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.499 7.209 -4.216 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.494 6.663 -5.179 1.00 0.00 N ATOM 0 H LYS A 96 -7.120 6.082 0.710 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.651 8.356 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.326 7.391 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.550 8.832 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.764 7.629 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.999 6.249 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.955 5.379 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.378 6.154 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.787 8.221 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.525 7.278 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.214 6.916 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.532 5.628 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.432 7.063 -4.974 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.235 8.972 2.059 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.945 10.001 2.809 1.00 0.00 C ATOM 1483 C ILE A 97 -8.490 10.033 4.264 1.00 0.00 C ATOM 1484 O ILE A 97 -8.401 11.099 4.875 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.469 9.779 2.764 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.836 8.466 3.457 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.962 9.782 1.325 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.326 8.262 3.615 1.00 0.00 C ATOM 0 H ILE A 97 -8.454 8.017 2.342 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.711 10.955 2.337 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.956 10.596 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.422 7.635 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.368 8.441 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.040 9.624 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.729 10.741 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.470 8.983 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.512 7.311 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.743 9.073 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.798 8.255 2.633 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.201 8.858 4.814 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.752 8.751 6.198 1.00 0.00 C ATOM 1502 C HIS A 98 -6.236 8.893 6.289 1.00 0.00 C ATOM 1503 O HIS A 98 -5.498 8.296 5.505 1.00 0.00 O ATOM 1504 CB HIS A 98 -8.188 7.413 6.796 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.652 7.343 7.104 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.291 6.174 7.460 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.603 8.306 7.108 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.572 6.422 7.669 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.787 7.708 7.463 1.00 0.00 N ATOM 0 H HIS A 98 -8.270 7.967 4.323 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.210 9.560 6.767 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.933 6.613 6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.624 7.232 7.711 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.845 5.261 7.548 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.458 9.351 6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.317 5.696 7.959 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.778 9.687 7.251 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.349 9.909 7.443 1.00 0.00 C ATOM 1520 C TYR A 99 -3.739 8.814 8.312 1.00 0.00 C ATOM 1521 O TYR A 99 -4.059 8.694 9.496 1.00 0.00 O ATOM 1522 CB TYR A 99 -4.106 11.278 8.081 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.654 12.430 7.270 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -6.020 12.680 7.215 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.806 13.269 6.558 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.525 13.731 6.474 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.301 14.324 5.816 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.661 14.551 5.777 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.159 15.599 5.038 1.00 0.00 O ATOM 0 H TYR A 99 -6.375 10.187 7.910 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.868 9.881 6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.560 11.294 9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.034 11.420 8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.699 12.042 7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.741 13.093 6.585 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.590 13.910 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.627 14.967 5.270 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.419 16.078 4.610 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.858 8.018 7.717 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.201 6.932 8.436 1.00 0.00 C ATOM 1541 C LEU A 100 -1.643 7.421 9.769 1.00 0.00 C ATOM 1542 O LEU A 100 -2.161 7.079 10.832 1.00 0.00 O ATOM 1543 CB LEU A 100 -1.075 6.339 7.586 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.506 5.638 6.297 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.391 5.686 5.265 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.909 4.198 6.583 1.00 0.00 C ATOM 0 H LEU A 100 -2.582 8.104 6.739 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.944 6.159 8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.382 7.140 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.523 5.625 8.197 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.371 6.163 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.716 5.182 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.149 6.724 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.493 5.186 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.213 3.714 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.063 3.662 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.741 4.186 7.288 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.586 8.222 9.704 1.00 0.00 N ATOM 1559 CA ASP A 101 0.041 8.761 10.906 1.00 0.00 C ATOM 1560 C ASP A 101 0.034 10.286 10.884 1.00 0.00 C ATOM 1561 O ASP A 101 -0.609 10.928 11.717 1.00 0.00 O ATOM 1562 CB ASP A 101 1.475 8.246 11.033 1.00 0.00 C ATOM 1563 CG ASP A 101 1.928 8.148 12.477 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.567 9.038 13.275 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.643 7.179 12.809 1.00 0.00 O ATOM 0 H ASP A 101 -0.145 8.513 8.832 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.534 8.426 11.769 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.549 7.265 10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.146 8.910 10.489 1.00 0.00 H new ATOM 1570 N THR A 102 0.755 10.863 9.928 1.00 0.00 N ATOM 1571 CA THR A 102 0.835 12.313 9.800 1.00 0.00 C ATOM 1572 C THR A 102 0.473 12.760 8.388 1.00 0.00 C ATOM 1573 O THR A 102 0.389 13.956 8.107 1.00 0.00 O ATOM 1574 CB THR A 102 2.244 12.831 10.145 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.213 14.251 10.327 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.235 12.477 9.045 1.00 0.00 C ATOM 0 H THR A 102 1.292 10.348 9.231 1.00 0.00 H new ATOM 0 HA THR A 102 0.119 12.733 10.507 1.00 0.00 H new ATOM 0 HB THR A 102 2.566 12.354 11.070 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.539 14.642 9.733 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.223 12.853 9.311 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.278 11.394 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.915 12.930 8.107 1.00 0.00 H new ATOM 1584 N THR A 103 0.258 11.793 7.502 1.00 0.00 N ATOM 1585 CA THR A 103 -0.095 12.087 6.119 1.00 0.00 C ATOM 1586 C THR A 103 -0.936 10.968 5.516 1.00 0.00 C ATOM 1587 O THR A 103 -1.254 9.986 6.186 1.00 0.00 O ATOM 1588 CB THR A 103 1.161 12.296 5.251 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.856 13.156 4.147 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.688 10.966 4.734 1.00 0.00 C ATOM 0 H THR A 103 0.322 10.798 7.718 1.00 0.00 H new ATOM 0 HA THR A 103 -0.677 13.009 6.130 1.00 0.00 H new ATOM 0 HB THR A 103 1.931 12.758 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.660 13.285 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.575 11.138 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.946 10.325 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.921 10.481 4.130 1.00 0.00 H new ATOM 1598 N THR A 104 -1.293 11.122 4.245 1.00 0.00 N ATOM 1599 CA THR A 104 -2.098 10.125 3.551 1.00 0.00 C ATOM 1600 C THR A 104 -1.360 9.569 2.338 1.00 0.00 C ATOM 1601 O THR A 104 -0.245 9.992 2.030 1.00 0.00 O ATOM 1602 CB THR A 104 -3.447 10.711 3.093 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.228 11.878 2.293 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.317 11.065 4.289 1.00 0.00 C ATOM 0 H THR A 104 -1.037 11.928 3.675 1.00 0.00 H new ATOM 0 HA THR A 104 -2.283 9.319 4.261 1.00 0.00 H new ATOM 0 HB THR A 104 -3.963 9.956 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.090 12.243 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.264 11.477 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.506 10.168 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.805 11.804 4.905 1.00 0.00 H new ATOM 1612 N LEU A 105 -1.988 8.621 1.652 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.391 8.008 0.471 1.00 0.00 C ATOM 1614 C LEU A 105 -1.711 8.816 -0.783 1.00 0.00 C ATOM 1615 O LEU A 105 -2.813 8.728 -1.325 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.893 6.572 0.308 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.629 5.631 1.484 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.179 4.244 1.191 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.139 5.563 1.788 1.00 0.00 C ATOM 0 H LEU A 105 -2.911 8.260 1.893 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.310 7.995 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.967 6.602 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.432 6.146 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.141 6.024 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.982 3.588 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.254 4.307 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.696 3.842 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.031 4.889 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.395 5.193 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.226 6.558 2.042 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.740 9.600 -1.238 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.917 10.421 -2.430 1.00 0.00 C ATOM 1633 C ILE A 106 -0.888 9.568 -3.694 1.00 0.00 C ATOM 1634 O ILE A 106 -1.916 9.363 -4.339 1.00 0.00 O ATOM 1635 CB ILE A 106 0.170 11.507 -2.532 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.163 12.386 -1.280 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.041 12.351 -3.780 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.015 13.332 -1.213 1.00 0.00 C ATOM 0 H ILE A 106 0.177 9.684 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.891 10.901 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 106 1.143 11.021 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.156 11.747 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.086 12.965 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.735 13.114 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.009 11.714 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.019 12.830 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.955 13.924 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.998 13.996 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.942 12.759 -1.214 1.00 0.00 H new ATOM 1650 N GLU A 107 0.296 9.072 -4.040 1.00 0.00 N ATOM 1651 CA GLU A 107 0.457 8.240 -5.226 1.00 0.00 C ATOM 1652 C GLU A 107 1.603 7.249 -5.044 1.00 0.00 C ATOM 1653 O GLU A 107 2.555 7.491 -4.302 1.00 0.00 O ATOM 1654 CB GLU A 107 0.714 9.112 -6.457 1.00 0.00 C ATOM 1655 CG GLU A 107 1.948 9.991 -6.334 1.00 0.00 C ATOM 1656 CD GLU A 107 2.125 10.917 -7.521 1.00 0.00 C ATOM 1657 OE1 GLU A 107 1.441 11.961 -7.566 1.00 0.00 O ATOM 1658 OE2 GLU A 107 2.947 10.598 -8.405 1.00 0.00 O ATOM 0 H GLU A 107 1.157 9.232 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.466 7.679 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.822 8.469 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.156 9.745 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.877 10.584 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.831 9.360 -6.236 1.00 0.00 H new ATOM 1665 N PRO A 108 1.511 6.104 -5.737 1.00 0.00 N ATOM 1666 CA PRO A 108 2.530 5.053 -5.668 1.00 0.00 C ATOM 1667 C PRO A 108 3.836 5.467 -6.338 1.00 0.00 C ATOM 1668 O PRO A 108 3.830 6.066 -7.413 1.00 0.00 O ATOM 1669 CB PRO A 108 1.888 3.886 -6.424 1.00 0.00 C ATOM 1670 CG PRO A 108 0.916 4.527 -7.353 1.00 0.00 C ATOM 1671 CD PRO A 108 0.404 5.748 -6.641 1.00 0.00 C ATOM 0 HA PRO A 108 2.801 4.815 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.635 3.308 -6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.389 3.198 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.396 4.797 -8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.100 3.846 -7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.179 6.555 -7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.513 5.537 -6.090 1.00 0.00 H new ATOM 1679 N ALA A 109 4.954 5.144 -5.696 1.00 0.00 N ATOM 1680 CA ALA A 109 6.267 5.480 -6.231 1.00 0.00 C ATOM 1681 C ALA A 109 6.403 5.022 -7.679 1.00 0.00 C ATOM 1682 O ALA A 109 5.659 4.166 -8.158 1.00 0.00 O ATOM 1683 CB ALA A 109 7.361 4.861 -5.375 1.00 0.00 C ATOM 0 H ALA A 109 4.976 4.650 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 109 6.374 6.564 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.336 5.121 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.285 5.241 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.247 3.777 -5.367 1.00 0.00 H new ATOM 1689 N PRO A 110 7.376 5.605 -8.396 1.00 0.00 N ATOM 1690 CA PRO A 110 7.632 5.272 -9.801 1.00 0.00 C ATOM 1691 C PRO A 110 8.213 3.872 -9.968 1.00 0.00 C ATOM 1692 O PRO A 110 8.704 3.275 -9.010 1.00 0.00 O ATOM 1693 CB PRO A 110 8.651 6.329 -10.235 1.00 0.00 C ATOM 1694 CG PRO A 110 9.336 6.736 -8.977 1.00 0.00 C ATOM 1695 CD PRO A 110 8.301 6.633 -7.890 1.00 0.00 C ATOM 0 HA PRO A 110 6.717 5.273 -10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.359 5.923 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.161 7.178 -10.711 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.187 6.087 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.721 7.753 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.745 6.341 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.794 7.584 -7.726 1.00 0.00 H new