USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0221 (180deg=-0.113) USER MOD Single : A 3 HIS : no HD1:sc=-0.000962 X(o=-0.00096,f=-0.00096) USER MOD Single : A 4 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.505 K(o=-0.51,f=-1.2) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 100:sc= 0.864 USER MOD Single : A 10 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.013) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.57 K(o=-2.6,f=-9.2!) USER MOD Single : A 36 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -177:sc= -0.6! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.512 K(o=0.51,f=-1.3) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.28 F(o=-2.2,f=-1.3) USER MOD Single : A 76 TYR OH : rot 130:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= -0.549 (180deg=-1.54!) USER MOD Single : A 86 TYR OH : rot -161:sc= 0.138 USER MOD Single : A 96 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.36) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0485) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.164 13.653 19.275 1.00 42.24 N ATOM 2 CA MET A 1 26.293 13.018 18.250 1.00 31.03 C ATOM 3 C MET A 1 25.928 14.002 17.131 1.00 72.15 C ATOM 4 O MET A 1 26.409 15.137 17.101 1.00 65.32 O ATOM 5 CB MET A 1 25.021 12.459 18.914 1.00 12.33 C ATOM 6 CG MET A 1 24.175 13.498 19.646 1.00 44.24 C ATOM 7 SD MET A 1 23.447 14.726 18.544 1.00 70.43 S ATOM 8 CE MET A 1 22.525 15.731 19.706 1.00 14.31 C ATOM 0 H1 MET A 1 26.853 13.361 20.224 1.00 42.24 H new ATOM 0 H2 MET A 1 28.149 13.355 19.126 1.00 42.24 H new ATOM 0 H3 MET A 1 27.099 14.688 19.193 1.00 42.24 H new ATOM 0 HA MET A 1 26.849 12.198 17.796 1.00 31.03 H new ATOM 0 HB2 MET A 1 24.407 11.984 18.149 1.00 12.33 H new ATOM 0 HB3 MET A 1 25.308 11.681 19.621 1.00 12.33 H new ATOM 0 HG2 MET A 1 23.379 12.990 20.190 1.00 44.24 H new ATOM 0 HG3 MET A 1 24.794 14.005 20.386 1.00 44.24 H new ATOM 0 HE1 MET A 1 22.019 16.535 19.171 1.00 14.31 H new ATOM 0 HE2 MET A 1 21.786 15.113 20.215 1.00 14.31 H new ATOM 0 HE3 MET A 1 23.208 16.158 20.440 1.00 14.31 H new ATOM 20 N GLY A 2 25.093 13.550 16.203 1.00 23.34 N ATOM 21 CA GLY A 2 24.615 14.409 15.128 1.00 43.21 C ATOM 22 C GLY A 2 23.211 14.040 14.674 1.00 62.35 C ATOM 23 O GLY A 2 22.415 13.505 15.450 1.00 73.12 O ATOM 0 H GLY A 2 24.734 12.596 16.174 1.00 23.34 H new ATOM 0 HA2 GLY A 2 24.625 15.446 15.463 1.00 43.21 H new ATOM 0 HA3 GLY A 2 25.298 14.341 14.281 1.00 43.21 H new ATOM 27 N HIS A 3 22.894 14.329 13.417 1.00 75.43 N ATOM 28 CA HIS A 3 21.573 14.017 12.861 1.00 11.20 C ATOM 29 C HIS A 3 21.689 13.354 11.480 1.00 34.52 C ATOM 30 O HIS A 3 22.700 13.501 10.789 1.00 52.52 O ATOM 31 CB HIS A 3 20.731 15.295 12.748 1.00 35.44 C ATOM 32 CG HIS A 3 20.570 16.023 14.050 1.00 11.20 C ATOM 33 ND1 HIS A 3 21.357 17.094 14.413 1.00 5.11 N ATOM 34 CD2 HIS A 3 19.714 15.823 15.082 1.00 4.24 C ATOM 35 CE1 HIS A 3 20.998 17.520 15.606 1.00 31.32 C ATOM 36 NE2 HIS A 3 20.005 16.769 16.033 1.00 43.12 N ATOM 0 H HIS A 3 23.531 14.779 12.760 1.00 75.43 H new ATOM 0 HA HIS A 3 21.085 13.316 13.538 1.00 11.20 H new ATOM 0 HB2 HIS A 3 21.195 15.963 12.022 1.00 35.44 H new ATOM 0 HB3 HIS A 3 19.745 15.038 12.360 1.00 35.44 H new ATOM 0 HD2 HIS A 3 18.949 15.064 15.144 1.00 4.24 H new ATOM 0 HE1 HIS A 3 21.443 18.345 16.143 1.00 31.32 H new ATOM 0 HE2 HIS A 3 19.528 16.873 16.928 1.00 43.12 H new ATOM 45 N HIS A 4 20.652 12.621 11.090 1.00 14.24 N ATOM 46 CA HIS A 4 20.578 12.039 9.749 1.00 2.34 C ATOM 47 C HIS A 4 20.202 13.133 8.737 1.00 4.22 C ATOM 48 O HIS A 4 19.076 13.190 8.240 1.00 30.33 O ATOM 49 CB HIS A 4 19.563 10.885 9.734 1.00 1.44 C ATOM 50 CG HIS A 4 19.507 10.130 8.440 1.00 43.12 C ATOM 51 ND1 HIS A 4 18.444 10.207 7.572 1.00 45.14 N ATOM 52 CD2 HIS A 4 20.381 9.260 7.880 1.00 23.10 C ATOM 53 CE1 HIS A 4 18.660 9.419 6.539 1.00 74.12 C ATOM 54 NE2 HIS A 4 19.828 8.832 6.700 1.00 52.13 N ATOM 0 H HIS A 4 19.848 12.414 11.683 1.00 14.24 H new ATOM 0 HA HIS A 4 21.549 11.632 9.467 1.00 2.34 H new ATOM 0 HB2 HIS A 4 19.809 10.190 10.537 1.00 1.44 H new ATOM 0 HB3 HIS A 4 18.573 11.285 9.951 1.00 1.44 H new ATOM 0 HD2 HIS A 4 21.335 8.959 8.287 1.00 23.10 H new ATOM 0 HE1 HIS A 4 17.992 9.278 5.702 1.00 74.12 H new ATOM 0 HE2 HIS A 4 20.252 8.167 6.053 1.00 52.13 H new ATOM 63 N HIS A 5 21.167 14.011 8.463 1.00 22.22 N ATOM 64 CA HIS A 5 20.929 15.244 7.704 1.00 15.43 C ATOM 65 C HIS A 5 20.377 14.977 6.294 1.00 11.21 C ATOM 66 O HIS A 5 19.542 15.735 5.802 1.00 21.13 O ATOM 67 CB HIS A 5 22.221 16.066 7.634 1.00 2.15 C ATOM 68 CG HIS A 5 22.028 17.455 7.111 1.00 74.44 C ATOM 69 ND1 HIS A 5 21.575 18.489 7.899 1.00 34.31 N ATOM 70 CD2 HIS A 5 22.233 17.986 5.884 1.00 24.41 C ATOM 71 CE1 HIS A 5 21.511 19.590 7.186 1.00 61.45 C ATOM 72 NE2 HIS A 5 21.904 19.317 5.961 1.00 64.03 N ATOM 0 H HIS A 5 22.135 13.890 8.759 1.00 22.22 H new ATOM 0 HA HIS A 5 20.163 15.811 8.232 1.00 15.43 H new ATOM 0 HB2 HIS A 5 22.660 16.121 8.630 1.00 2.15 H new ATOM 0 HB3 HIS A 5 22.937 15.545 6.999 1.00 2.15 H new ATOM 0 HD2 HIS A 5 22.588 17.462 5.009 1.00 24.41 H new ATOM 0 HE1 HIS A 5 21.190 20.557 7.545 1.00 61.45 H new ATOM 0 HE2 HIS A 5 21.956 19.986 5.193 1.00 64.03 H new ATOM 81 N HIS A 6 20.850 13.919 5.640 1.00 34.12 N ATOM 82 CA HIS A 6 20.273 13.501 4.357 1.00 2.33 C ATOM 83 C HIS A 6 18.855 12.935 4.567 1.00 42.53 C ATOM 84 O HIS A 6 18.662 11.725 4.678 1.00 73.20 O ATOM 85 CB HIS A 6 21.172 12.471 3.654 1.00 51.04 C ATOM 86 CG HIS A 6 22.474 13.040 3.166 1.00 23.42 C ATOM 87 ND1 HIS A 6 23.707 12.566 3.564 1.00 51.13 N ATOM 88 CD2 HIS A 6 22.732 14.036 2.282 1.00 41.21 C ATOM 89 CE1 HIS A 6 24.658 13.243 2.952 1.00 21.12 C ATOM 90 NE2 HIS A 6 24.096 14.139 2.169 1.00 22.22 N ATOM 0 H HIS A 6 21.622 13.339 5.969 1.00 34.12 H new ATOM 0 HA HIS A 6 20.206 14.378 3.713 1.00 2.33 H new ATOM 0 HB2 HIS A 6 21.379 11.652 4.343 1.00 51.04 H new ATOM 0 HB3 HIS A 6 20.631 12.047 2.808 1.00 51.04 H new ATOM 0 HD2 HIS A 6 22.000 14.637 1.763 1.00 41.21 H new ATOM 0 HE1 HIS A 6 25.720 13.088 3.073 1.00 21.12 H new ATOM 0 HE2 HIS A 6 24.593 14.802 1.575 1.00 22.22 H new ATOM 99 N HIS A 7 17.872 13.832 4.632 1.00 14.10 N ATOM 100 CA HIS A 7 16.490 13.465 4.973 1.00 50.31 C ATOM 101 C HIS A 7 15.624 13.277 3.709 1.00 53.30 C ATOM 102 O HIS A 7 14.402 13.423 3.745 1.00 33.02 O ATOM 103 CB HIS A 7 15.897 14.557 5.883 1.00 41.53 C ATOM 104 CG HIS A 7 14.596 14.179 6.532 1.00 64.21 C ATOM 105 ND1 HIS A 7 13.368 14.581 6.056 1.00 63.23 N ATOM 106 CD2 HIS A 7 14.338 13.440 7.638 1.00 24.10 C ATOM 107 CE1 HIS A 7 12.417 14.111 6.834 1.00 32.33 C ATOM 108 NE2 HIS A 7 12.976 13.415 7.800 1.00 12.13 N ATOM 0 H HIS A 7 18.005 14.827 4.452 1.00 14.10 H new ATOM 0 HA HIS A 7 16.497 12.510 5.498 1.00 50.31 H new ATOM 0 HB2 HIS A 7 16.621 14.799 6.661 1.00 41.53 H new ATOM 0 HB3 HIS A 7 15.747 15.462 5.295 1.00 41.53 H new ATOM 0 HD2 HIS A 7 15.068 12.960 8.273 1.00 24.10 H new ATOM 0 HE1 HIS A 7 11.357 14.270 6.702 1.00 32.33 H new ATOM 0 HE2 HIS A 7 12.477 12.934 8.549 1.00 12.13 H new ATOM 117 N HIS A 8 16.267 12.920 2.599 1.00 2.40 N ATOM 118 CA HIS A 8 15.572 12.726 1.319 1.00 53.04 C ATOM 119 C HIS A 8 15.143 11.266 1.130 1.00 73.24 C ATOM 120 O HIS A 8 15.878 10.338 1.479 1.00 3.23 O ATOM 121 CB HIS A 8 16.469 13.155 0.155 1.00 54.21 C ATOM 122 CG HIS A 8 16.843 14.602 0.196 1.00 72.23 C ATOM 123 ND1 HIS A 8 16.072 15.595 -0.366 1.00 5.11 N ATOM 124 CD2 HIS A 8 17.912 15.224 0.741 1.00 20.44 C ATOM 125 CE1 HIS A 8 16.651 16.762 -0.172 1.00 55.34 C ATOM 126 NE2 HIS A 8 17.768 16.564 0.497 1.00 4.44 N ATOM 0 H HIS A 8 17.273 12.758 2.556 1.00 2.40 H new ATOM 0 HA HIS A 8 14.676 13.347 1.333 1.00 53.04 H new ATOM 0 HB2 HIS A 8 17.377 12.552 0.164 1.00 54.21 H new ATOM 0 HB3 HIS A 8 15.957 12.946 -0.785 1.00 54.21 H new ATOM 0 HD2 HIS A 8 18.727 14.753 1.270 1.00 20.44 H new ATOM 0 HE1 HIS A 8 16.274 17.718 -0.505 1.00 55.34 H new ATOM 0 HE2 HIS A 8 18.421 17.292 0.787 1.00 4.44 H new ATOM 135 N SER A 9 13.960 11.067 0.558 1.00 31.44 N ATOM 136 CA SER A 9 13.410 9.720 0.359 1.00 54.43 C ATOM 137 C SER A 9 12.868 9.526 -1.061 1.00 1.41 C ATOM 138 O SER A 9 12.290 10.437 -1.652 1.00 41.33 O ATOM 139 CB SER A 9 12.288 9.447 1.369 1.00 72.35 C ATOM 140 OG SER A 9 11.200 10.348 1.200 1.00 24.22 O ATOM 0 H SER A 9 13.359 11.819 0.222 1.00 31.44 H new ATOM 0 HA SER A 9 14.227 9.015 0.512 1.00 54.43 H new ATOM 0 HB2 SER A 9 11.934 8.423 1.252 1.00 72.35 H new ATOM 0 HB3 SER A 9 12.680 9.535 2.382 1.00 72.35 H new ATOM 0 HG SER A 9 10.486 9.907 0.694 1.00 24.22 H new ATOM 146 N HIS A 10 13.054 8.326 -1.602 1.00 75.13 N ATOM 147 CA HIS A 10 12.505 7.976 -2.914 1.00 51.52 C ATOM 148 C HIS A 10 11.010 7.636 -2.799 1.00 23.14 C ATOM 149 O HIS A 10 10.644 6.667 -2.136 1.00 45.51 O ATOM 150 CB HIS A 10 13.269 6.781 -3.506 1.00 73.33 C ATOM 151 CG HIS A 10 14.707 7.067 -3.828 1.00 11.34 C ATOM 152 ND1 HIS A 10 15.402 6.397 -4.815 1.00 3.24 N ATOM 153 CD2 HIS A 10 15.591 7.940 -3.284 1.00 51.53 C ATOM 154 CE1 HIS A 10 16.642 6.842 -4.858 1.00 43.02 C ATOM 155 NE2 HIS A 10 16.780 7.776 -3.944 1.00 23.31 N ATOM 0 H HIS A 10 13.581 7.576 -1.154 1.00 75.13 H new ATOM 0 HA HIS A 10 12.619 8.835 -3.576 1.00 51.52 H new ATOM 0 HB2 HIS A 10 13.225 5.951 -2.801 1.00 73.33 H new ATOM 0 HB3 HIS A 10 12.763 6.455 -4.415 1.00 73.33 H new ATOM 0 HD2 HIS A 10 15.394 8.635 -2.481 1.00 51.53 H new ATOM 0 HE1 HIS A 10 17.414 6.497 -5.530 1.00 43.02 H new ATOM 0 HE2 HIS A 10 17.637 8.296 -3.756 1.00 23.31 H new ATOM 164 N MET A 11 10.151 8.441 -3.429 1.00 62.35 N ATOM 165 CA MET A 11 8.700 8.198 -3.398 1.00 1.23 C ATOM 166 C MET A 11 8.333 6.872 -4.094 1.00 65.00 C ATOM 167 O MET A 11 8.582 6.684 -5.289 1.00 31.21 O ATOM 168 CB MET A 11 7.940 9.378 -4.025 1.00 51.04 C ATOM 169 CG MET A 11 8.326 9.682 -5.466 1.00 32.03 C ATOM 170 SD MET A 11 7.505 11.162 -6.095 1.00 0.21 S ATOM 171 CE MET A 11 8.073 11.181 -7.796 1.00 3.10 C ATOM 0 H MET A 11 10.429 9.263 -3.965 1.00 62.35 H new ATOM 0 HA MET A 11 8.399 8.112 -2.354 1.00 1.23 H new ATOM 0 HB2 MET A 11 6.871 9.168 -3.985 1.00 51.04 H new ATOM 0 HB3 MET A 11 8.113 10.268 -3.420 1.00 51.04 H new ATOM 0 HG2 MET A 11 9.406 9.813 -5.531 1.00 32.03 H new ATOM 0 HG3 MET A 11 8.069 8.831 -6.096 1.00 32.03 H new ATOM 0 HE1 MET A 11 7.647 12.041 -8.312 1.00 3.10 H new ATOM 0 HE2 MET A 11 9.161 11.248 -7.816 1.00 3.10 H new ATOM 0 HE3 MET A 11 7.757 10.265 -8.295 1.00 3.10 H new ATOM 181 N VAL A 12 7.742 5.957 -3.330 1.00 74.10 N ATOM 182 CA VAL A 12 7.485 4.593 -3.800 1.00 32.33 C ATOM 183 C VAL A 12 5.979 4.278 -3.897 1.00 15.30 C ATOM 184 O VAL A 12 5.177 4.698 -3.063 1.00 43.04 O ATOM 185 CB VAL A 12 8.170 3.566 -2.861 1.00 21.10 C ATOM 186 CG1 VAL A 12 7.844 2.135 -3.269 1.00 70.30 C ATOM 187 CG2 VAL A 12 9.683 3.785 -2.833 1.00 45.33 C ATOM 0 H VAL A 12 7.429 6.135 -2.376 1.00 74.10 H new ATOM 0 HA VAL A 12 7.903 4.518 -4.804 1.00 32.33 H new ATOM 0 HB VAL A 12 7.778 3.723 -1.856 1.00 21.10 H new ATOM 0 HG11 VAL A 12 8.340 1.441 -2.590 1.00 70.30 H new ATOM 0 HG12 VAL A 12 6.766 1.980 -3.223 1.00 70.30 H new ATOM 0 HG13 VAL A 12 8.192 1.958 -4.287 1.00 70.30 H new ATOM 0 HG21 VAL A 12 10.144 3.054 -2.169 1.00 45.33 H new ATOM 0 HG22 VAL A 12 10.086 3.666 -3.839 1.00 45.33 H new ATOM 0 HG23 VAL A 12 9.898 4.791 -2.472 1.00 45.33 H new ATOM 197 N VAL A 13 5.609 3.537 -4.939 1.00 44.33 N ATOM 198 CA VAL A 13 4.231 3.078 -5.131 1.00 10.25 C ATOM 199 C VAL A 13 4.145 1.552 -4.948 1.00 22.32 C ATOM 200 O VAL A 13 5.168 0.877 -4.822 1.00 42.40 O ATOM 201 CB VAL A 13 3.707 3.453 -6.546 1.00 41.52 C ATOM 202 CG1 VAL A 13 3.903 4.943 -6.822 1.00 44.31 C ATOM 203 CG2 VAL A 13 4.384 2.610 -7.630 1.00 42.21 C ATOM 0 H VAL A 13 6.251 3.238 -5.673 1.00 44.33 H new ATOM 0 HA VAL A 13 3.611 3.573 -4.383 1.00 10.25 H new ATOM 0 HB VAL A 13 2.639 3.237 -6.571 1.00 41.52 H new ATOM 0 HG11 VAL A 13 3.529 5.181 -7.818 1.00 44.31 H new ATOM 0 HG12 VAL A 13 3.356 5.525 -6.080 1.00 44.31 H new ATOM 0 HG13 VAL A 13 4.964 5.187 -6.765 1.00 44.31 H new ATOM 0 HG21 VAL A 13 3.997 2.896 -8.608 1.00 42.21 H new ATOM 0 HG22 VAL A 13 5.461 2.779 -7.603 1.00 42.21 H new ATOM 0 HG23 VAL A 13 4.178 1.555 -7.452 1.00 42.21 H new ATOM 213 N ILE A 14 2.931 1.006 -4.926 1.00 41.41 N ATOM 214 CA ILE A 14 2.754 -0.449 -4.880 1.00 74.10 C ATOM 215 C ILE A 14 1.706 -0.907 -5.918 1.00 62.14 C ATOM 216 O ILE A 14 0.547 -0.486 -5.892 1.00 53.22 O ATOM 217 CB ILE A 14 2.381 -0.934 -3.445 1.00 1.42 C ATOM 218 CG1 ILE A 14 2.450 -2.467 -3.363 1.00 72.42 C ATOM 219 CG2 ILE A 14 1.003 -0.423 -3.020 1.00 33.24 C ATOM 220 CD1 ILE A 14 2.258 -3.015 -1.964 1.00 74.31 C ATOM 0 H ILE A 14 2.062 1.540 -4.939 1.00 41.41 H new ATOM 0 HA ILE A 14 3.707 -0.909 -5.139 1.00 74.10 H new ATOM 0 HB ILE A 14 3.110 -0.517 -2.749 1.00 1.42 H new ATOM 0 HG12 ILE A 14 1.688 -2.891 -4.017 1.00 72.42 H new ATOM 0 HG13 ILE A 14 3.416 -2.798 -3.743 1.00 72.42 H new ATOM 0 HG21 ILE A 14 0.776 -0.780 -2.015 1.00 33.24 H new ATOM 0 HG22 ILE A 14 1.001 0.667 -3.026 1.00 33.24 H new ATOM 0 HG23 ILE A 14 0.248 -0.791 -3.715 1.00 33.24 H new ATOM 0 HD11 ILE A 14 2.320 -4.103 -1.988 1.00 74.31 H new ATOM 0 HD12 ILE A 14 3.036 -2.621 -1.309 1.00 74.31 H new ATOM 0 HD13 ILE A 14 1.280 -2.715 -1.587 1.00 74.31 H new ATOM 232 N ARG A 15 2.139 -1.749 -6.856 1.00 73.23 N ATOM 233 CA ARG A 15 1.294 -2.177 -7.982 1.00 44.32 C ATOM 234 C ARG A 15 0.574 -3.508 -7.687 1.00 30.24 C ATOM 235 O ARG A 15 0.874 -4.182 -6.702 1.00 32.31 O ATOM 236 CB ARG A 15 2.167 -2.334 -9.243 1.00 73.54 C ATOM 237 CG ARG A 15 1.379 -2.391 -10.555 1.00 44.22 C ATOM 238 CD ARG A 15 2.227 -2.917 -11.715 1.00 44.32 C ATOM 239 NE ARG A 15 3.488 -2.194 -11.862 1.00 2.34 N ATOM 240 CZ ARG A 15 4.325 -2.362 -12.851 1.00 64.12 C ATOM 241 NH1 ARG A 15 4.058 -3.177 -13.821 1.00 30.11 N ATOM 242 NH2 ARG A 15 5.442 -1.710 -12.860 1.00 51.12 N ATOM 0 H ARG A 15 3.076 -2.153 -6.862 1.00 73.23 H new ATOM 0 HA ARG A 15 0.532 -1.414 -8.139 1.00 44.32 H new ATOM 0 HB2 ARG A 15 2.868 -1.501 -9.291 1.00 73.54 H new ATOM 0 HB3 ARG A 15 2.759 -3.244 -9.149 1.00 73.54 H new ATOM 0 HG2 ARG A 15 0.506 -3.031 -10.425 1.00 44.22 H new ATOM 0 HG3 ARG A 15 1.010 -1.395 -10.799 1.00 44.22 H new ATOM 0 HD2 ARG A 15 2.435 -3.975 -11.557 1.00 44.32 H new ATOM 0 HD3 ARG A 15 1.658 -2.839 -12.641 1.00 44.32 H new ATOM 0 HE ARG A 15 3.731 -1.512 -11.144 1.00 2.34 H new ATOM 0 HH11 ARG A 15 3.182 -3.700 -13.821 1.00 30.11 H new ATOM 0 HH12 ARG A 15 4.723 -3.296 -14.585 1.00 30.11 H new ATOM 0 HH21 ARG A 15 5.665 -1.069 -12.098 1.00 51.12 H new ATOM 0 HH22 ARG A 15 6.100 -1.836 -13.629 1.00 51.12 H new ATOM 256 N ARG A 16 -0.378 -3.869 -8.566 1.00 63.32 N ATOM 257 CA ARG A 16 -1.054 -5.185 -8.563 1.00 10.40 C ATOM 258 C ARG A 16 -2.246 -5.246 -7.584 1.00 43.11 C ATOM 259 O ARG A 16 -2.982 -6.234 -7.570 1.00 54.10 O ATOM 260 CB ARG A 16 -0.068 -6.338 -8.268 1.00 21.12 C ATOM 261 CG ARG A 16 1.179 -6.362 -9.154 1.00 15.40 C ATOM 262 CD ARG A 16 0.838 -6.473 -10.634 1.00 52.13 C ATOM 263 NE ARG A 16 2.040 -6.451 -11.467 1.00 71.04 N ATOM 264 CZ ARG A 16 2.035 -6.483 -12.771 1.00 74.31 C ATOM 265 NH1 ARG A 16 0.919 -6.498 -13.431 1.00 43.34 N ATOM 266 NH2 ARG A 16 3.158 -6.478 -13.412 1.00 43.52 N ATOM 0 H ARG A 16 -0.705 -3.250 -9.308 1.00 63.32 H new ATOM 0 HA ARG A 16 -1.449 -5.312 -9.571 1.00 10.40 H new ATOM 0 HB2 ARG A 16 0.246 -6.271 -7.226 1.00 21.12 H new ATOM 0 HB3 ARG A 16 -0.595 -7.285 -8.382 1.00 21.12 H new ATOM 0 HG2 ARG A 16 1.759 -5.455 -8.985 1.00 15.40 H new ATOM 0 HG3 ARG A 16 1.810 -7.202 -8.865 1.00 15.40 H new ATOM 0 HD2 ARG A 16 0.288 -7.397 -10.813 1.00 52.13 H new ATOM 0 HD3 ARG A 16 0.182 -5.651 -10.919 1.00 52.13 H new ATOM 0 HE ARG A 16 2.944 -6.408 -10.996 1.00 71.04 H new ATOM 0 HH11 ARG A 16 0.030 -6.485 -12.931 1.00 43.34 H new ATOM 0 HH12 ARG A 16 0.930 -6.523 -14.451 1.00 43.34 H new ATOM 0 HH21 ARG A 16 4.039 -6.449 -12.898 1.00 43.52 H new ATOM 0 HH22 ARG A 16 3.163 -6.503 -14.432 1.00 43.52 H new ATOM 280 N LEU A 17 -2.453 -4.185 -6.801 1.00 20.42 N ATOM 281 CA LEU A 17 -3.549 -4.142 -5.813 1.00 50.30 C ATOM 282 C LEU A 17 -4.936 -4.026 -6.481 1.00 22.13 C ATOM 283 O LEU A 17 -5.249 -3.010 -7.107 1.00 42.14 O ATOM 284 CB LEU A 17 -3.359 -2.966 -4.836 1.00 61.04 C ATOM 285 CG LEU A 17 -2.306 -3.169 -3.730 1.00 43.23 C ATOM 286 CD1 LEU A 17 -2.663 -4.369 -2.855 1.00 52.23 C ATOM 287 CD2 LEU A 17 -0.912 -3.323 -4.326 1.00 72.05 C ATOM 0 H LEU A 17 -1.880 -3.342 -6.827 1.00 20.42 H new ATOM 0 HA LEU A 17 -3.511 -5.085 -5.268 1.00 50.30 H new ATOM 0 HB2 LEU A 17 -3.086 -2.082 -5.412 1.00 61.04 H new ATOM 0 HB3 LEU A 17 -4.318 -2.755 -4.363 1.00 61.04 H new ATOM 0 HG LEU A 17 -2.303 -2.280 -3.099 1.00 43.23 H new ATOM 0 HD11 LEU A 17 -1.906 -4.493 -2.081 1.00 52.23 H new ATOM 0 HD12 LEU A 17 -3.634 -4.203 -2.389 1.00 52.23 H new ATOM 0 HD13 LEU A 17 -2.704 -5.268 -3.470 1.00 52.23 H new ATOM 0 HD21 LEU A 17 -0.187 -3.465 -3.524 1.00 72.05 H new ATOM 0 HD22 LEU A 17 -0.893 -4.188 -4.989 1.00 72.05 H new ATOM 0 HD23 LEU A 17 -0.657 -2.427 -4.891 1.00 72.05 H new ATOM 299 N PRO A 18 -5.777 -5.076 -6.368 1.00 54.42 N ATOM 300 CA PRO A 18 -7.159 -5.062 -6.847 1.00 41.14 C ATOM 301 C PRO A 18 -8.179 -4.794 -5.716 1.00 11.34 C ATOM 302 O PRO A 18 -7.822 -4.813 -4.535 1.00 53.41 O ATOM 303 CB PRO A 18 -7.299 -6.493 -7.380 1.00 74.02 C ATOM 304 CG PRO A 18 -6.432 -7.329 -6.478 1.00 42.43 C ATOM 305 CD PRO A 18 -5.450 -6.393 -5.795 1.00 73.21 C ATOM 0 HA PRO A 18 -7.357 -4.275 -7.575 1.00 41.14 H new ATOM 0 HB2 PRO A 18 -8.337 -6.826 -7.350 1.00 74.02 H new ATOM 0 HB3 PRO A 18 -6.972 -6.562 -8.417 1.00 74.02 H new ATOM 0 HG2 PRO A 18 -7.039 -7.853 -5.740 1.00 42.43 H new ATOM 0 HG3 PRO A 18 -5.902 -8.089 -7.052 1.00 42.43 H new ATOM 0 HD2 PRO A 18 -5.574 -6.402 -4.712 1.00 73.21 H new ATOM 0 HD3 PRO A 18 -4.417 -6.675 -6.000 1.00 73.21 H new ATOM 313 N PRO A 19 -9.462 -4.530 -6.054 1.00 52.34 N ATOM 314 CA PRO A 19 -10.526 -4.349 -5.043 1.00 24.31 C ATOM 315 C PRO A 19 -10.676 -5.568 -4.109 1.00 64.41 C ATOM 316 O PRO A 19 -10.640 -6.713 -4.563 1.00 35.34 O ATOM 317 CB PRO A 19 -11.797 -4.163 -5.889 1.00 61.05 C ATOM 318 CG PRO A 19 -11.304 -3.684 -7.214 1.00 23.21 C ATOM 319 CD PRO A 19 -9.975 -4.359 -7.428 1.00 31.01 C ATOM 0 HA PRO A 19 -10.310 -3.512 -4.379 1.00 24.31 H new ATOM 0 HB2 PRO A 19 -12.348 -5.098 -5.986 1.00 61.05 H new ATOM 0 HB3 PRO A 19 -12.474 -3.440 -5.433 1.00 61.05 H new ATOM 0 HG2 PRO A 19 -12.005 -3.941 -8.008 1.00 23.21 H new ATOM 0 HG3 PRO A 19 -11.197 -2.599 -7.222 1.00 23.21 H new ATOM 0 HD2 PRO A 19 -10.086 -5.315 -7.939 1.00 31.01 H new ATOM 0 HD3 PRO A 19 -9.306 -3.749 -8.035 1.00 31.01 H new ATOM 327 N GLY A 20 -10.866 -5.316 -2.813 1.00 41.41 N ATOM 328 CA GLY A 20 -10.949 -6.408 -1.848 1.00 65.15 C ATOM 329 C GLY A 20 -11.385 -5.954 -0.456 1.00 15.13 C ATOM 330 O GLY A 20 -12.388 -5.255 -0.309 1.00 11.05 O ATOM 0 H GLY A 20 -10.964 -4.382 -2.414 1.00 41.41 H new ATOM 0 HA2 GLY A 20 -11.652 -7.155 -2.215 1.00 65.15 H new ATOM 0 HA3 GLY A 20 -9.976 -6.894 -1.776 1.00 65.15 H new ATOM 334 N LEU A 21 -10.646 -6.375 0.571 1.00 11.15 N ATOM 335 CA LEU A 21 -10.925 -5.955 1.951 1.00 71.13 C ATOM 336 C LEU A 21 -10.790 -4.428 2.114 1.00 73.52 C ATOM 337 O LEU A 21 -10.059 -3.769 1.372 1.00 13.04 O ATOM 338 CB LEU A 21 -10.003 -6.681 2.952 1.00 62.41 C ATOM 339 CG LEU A 21 -8.509 -6.298 2.927 1.00 25.40 C ATOM 340 CD1 LEU A 21 -7.768 -6.981 4.072 1.00 0.31 C ATOM 341 CD2 LEU A 21 -7.857 -6.649 1.588 1.00 75.30 C ATOM 0 H LEU A 21 -9.850 -7.006 0.477 1.00 11.15 H new ATOM 0 HA LEU A 21 -11.957 -6.231 2.169 1.00 71.13 H new ATOM 0 HB2 LEU A 21 -10.383 -6.499 3.957 1.00 62.41 H new ATOM 0 HB3 LEU A 21 -10.082 -7.753 2.770 1.00 62.41 H new ATOM 0 HG LEU A 21 -8.443 -5.217 3.053 1.00 25.40 H new ATOM 0 HD11 LEU A 21 -6.715 -6.702 4.042 1.00 0.31 H new ATOM 0 HD12 LEU A 21 -8.199 -6.668 5.023 1.00 0.31 H new ATOM 0 HD13 LEU A 21 -7.859 -8.062 3.971 1.00 0.31 H new ATOM 0 HD21 LEU A 21 -6.805 -6.364 1.610 1.00 75.30 H new ATOM 0 HD22 LEU A 21 -7.939 -7.722 1.414 1.00 75.30 H new ATOM 0 HD23 LEU A 21 -8.362 -6.112 0.785 1.00 75.30 H new ATOM 353 N THR A 22 -11.491 -3.874 3.099 1.00 73.21 N ATOM 354 CA THR A 22 -11.502 -2.424 3.322 1.00 34.23 C ATOM 355 C THR A 22 -10.133 -1.932 3.796 1.00 12.33 C ATOM 356 O THR A 22 -9.426 -2.649 4.510 1.00 65.43 O ATOM 357 CB THR A 22 -12.566 -2.015 4.375 1.00 72.51 C ATOM 358 OG1 THR A 22 -13.831 -2.623 4.068 1.00 54.14 O ATOM 359 CG2 THR A 22 -12.732 -0.496 4.429 1.00 4.42 C ATOM 0 H THR A 22 -12.061 -4.404 3.758 1.00 73.21 H new ATOM 0 HA THR A 22 -11.750 -1.963 2.366 1.00 34.23 H new ATOM 0 HB THR A 22 -12.221 -2.363 5.349 1.00 72.51 H new ATOM 0 HG1 THR A 22 -14.493 -2.358 4.741 1.00 54.14 H new ATOM 0 HG21 THR A 22 -13.484 -0.238 5.175 1.00 4.42 H new ATOM 0 HG22 THR A 22 -11.781 -0.035 4.698 1.00 4.42 H new ATOM 0 HG23 THR A 22 -13.050 -0.130 3.453 1.00 4.42 H new ATOM 367 N LYS A 23 -9.770 -0.705 3.417 1.00 23.53 N ATOM 368 CA LYS A 23 -8.468 -0.128 3.783 1.00 33.43 C ATOM 369 C LYS A 23 -8.166 -0.284 5.286 1.00 64.25 C ATOM 370 O LYS A 23 -7.018 -0.466 5.669 1.00 52.24 O ATOM 371 CB LYS A 23 -8.395 1.352 3.377 1.00 4.12 C ATOM 372 CG LYS A 23 -9.441 2.242 4.044 1.00 32.04 C ATOM 373 CD LYS A 23 -9.156 3.723 3.802 1.00 42.45 C ATOM 374 CE LYS A 23 -7.788 4.120 4.345 1.00 34.34 C ATOM 375 NZ LYS A 23 -7.516 5.571 4.186 1.00 5.40 N ATOM 0 H LYS A 23 -10.358 -0.088 2.856 1.00 23.53 H new ATOM 0 HA LYS A 23 -7.707 -0.684 3.235 1.00 33.43 H new ATOM 0 HB2 LYS A 23 -7.403 1.734 3.619 1.00 4.12 H new ATOM 0 HB3 LYS A 23 -8.510 1.425 2.296 1.00 4.12 H new ATOM 0 HG2 LYS A 23 -10.430 1.994 3.659 1.00 32.04 H new ATOM 0 HG3 LYS A 23 -9.458 2.044 5.116 1.00 32.04 H new ATOM 0 HD2 LYS A 23 -9.201 3.934 2.734 1.00 42.45 H new ATOM 0 HD3 LYS A 23 -9.928 4.327 4.279 1.00 42.45 H new ATOM 0 HE2 LYS A 23 -7.728 3.855 5.401 1.00 34.34 H new ATOM 0 HE3 LYS A 23 -7.016 3.550 3.829 1.00 34.34 H new ATOM 0 HZ1 LYS A 23 -6.575 5.792 4.570 1.00 5.40 H new ATOM 0 HZ2 LYS A 23 -7.546 5.821 3.177 1.00 5.40 H new ATOM 0 HZ3 LYS A 23 -8.236 6.118 4.700 1.00 5.40 H new ATOM 389 N GLU A 24 -9.214 -0.251 6.117 1.00 42.52 N ATOM 390 CA GLU A 24 -9.083 -0.424 7.578 1.00 65.31 C ATOM 391 C GLU A 24 -8.176 -1.616 7.941 1.00 33.44 C ATOM 392 O GLU A 24 -7.451 -1.582 8.937 1.00 13.12 O ATOM 393 CB GLU A 24 -10.472 -0.625 8.201 1.00 74.05 C ATOM 394 CG GLU A 24 -11.457 0.497 7.883 1.00 4.32 C ATOM 395 CD GLU A 24 -12.825 0.279 8.511 1.00 63.11 C ATOM 396 OE1 GLU A 24 -13.027 0.706 9.666 1.00 74.40 O ATOM 397 OE2 GLU A 24 -13.703 -0.321 7.856 1.00 65.43 O ATOM 0 H GLU A 24 -10.174 -0.105 5.803 1.00 42.52 H new ATOM 0 HA GLU A 24 -8.619 0.478 7.977 1.00 65.31 H new ATOM 0 HB2 GLU A 24 -10.885 -1.570 7.848 1.00 74.05 H new ATOM 0 HB3 GLU A 24 -10.366 -0.708 9.283 1.00 74.05 H new ATOM 0 HG2 GLU A 24 -11.048 1.444 8.235 1.00 4.32 H new ATOM 0 HG3 GLU A 24 -11.568 0.581 6.802 1.00 4.32 H new ATOM 404 N GLN A 25 -8.240 -2.672 7.136 1.00 52.41 N ATOM 405 CA GLN A 25 -7.357 -3.834 7.291 1.00 23.44 C ATOM 406 C GLN A 25 -6.294 -3.851 6.183 1.00 20.31 C ATOM 407 O GLN A 25 -5.118 -4.074 6.437 1.00 41.21 O ATOM 408 CB GLN A 25 -8.175 -5.129 7.237 1.00 12.44 C ATOM 409 CG GLN A 25 -9.260 -5.231 8.303 1.00 70.22 C ATOM 410 CD GLN A 25 -10.034 -6.535 8.218 1.00 55.24 C ATOM 411 OE1 GLN A 25 -9.658 -7.536 8.819 1.00 51.34 O ATOM 412 NE2 GLN A 25 -11.117 -6.536 7.467 1.00 51.32 N ATOM 0 H GLN A 25 -8.899 -2.751 6.361 1.00 52.41 H new ATOM 0 HA GLN A 25 -6.860 -3.762 8.258 1.00 23.44 H new ATOM 0 HB2 GLN A 25 -8.639 -5.211 6.254 1.00 12.44 H new ATOM 0 HB3 GLN A 25 -7.498 -5.977 7.342 1.00 12.44 H new ATOM 0 HG2 GLN A 25 -8.805 -5.145 9.290 1.00 70.22 H new ATOM 0 HG3 GLN A 25 -9.950 -4.394 8.196 1.00 70.22 H new ATOM 0 HE21 GLN A 25 -11.401 -5.686 6.981 1.00 51.32 H new ATOM 0 HE22 GLN A 25 -11.671 -7.387 7.372 1.00 51.32 H new ATOM 421 N LEU A 26 -6.730 -3.590 4.957 1.00 43.11 N ATOM 422 CA LEU A 26 -5.856 -3.610 3.776 1.00 21.34 C ATOM 423 C LEU A 26 -4.572 -2.770 3.953 1.00 13.11 C ATOM 424 O LEU A 26 -3.513 -3.130 3.436 1.00 11.14 O ATOM 425 CB LEU A 26 -6.667 -3.135 2.553 1.00 11.11 C ATOM 426 CG LEU A 26 -5.862 -2.608 1.348 1.00 71.52 C ATOM 427 CD1 LEU A 26 -5.037 -3.722 0.702 1.00 3.52 C ATOM 428 CD2 LEU A 26 -6.793 -1.953 0.326 1.00 1.31 C ATOM 0 H LEU A 26 -7.700 -3.357 4.746 1.00 43.11 H new ATOM 0 HA LEU A 26 -5.514 -4.634 3.628 1.00 21.34 H new ATOM 0 HB2 LEU A 26 -7.285 -3.965 2.212 1.00 11.11 H new ATOM 0 HB3 LEU A 26 -7.345 -2.346 2.880 1.00 11.11 H new ATOM 0 HG LEU A 26 -5.166 -1.852 1.712 1.00 71.52 H new ATOM 0 HD11 LEU A 26 -4.481 -3.319 -0.144 1.00 3.52 H new ATOM 0 HD12 LEU A 26 -4.339 -4.129 1.434 1.00 3.52 H new ATOM 0 HD13 LEU A 26 -5.702 -4.513 0.355 1.00 3.52 H new ATOM 0 HD21 LEU A 26 -6.208 -1.587 -0.517 1.00 1.31 H new ATOM 0 HD22 LEU A 26 -7.519 -2.686 -0.027 1.00 1.31 H new ATOM 0 HD23 LEU A 26 -7.317 -1.119 0.793 1.00 1.31 H new ATOM 440 N GLU A 27 -4.651 -1.668 4.694 1.00 0.41 N ATOM 441 CA GLU A 27 -3.501 -0.770 4.844 1.00 10.21 C ATOM 442 C GLU A 27 -2.429 -1.327 5.800 1.00 71.05 C ATOM 443 O GLU A 27 -1.251 -1.004 5.655 1.00 73.35 O ATOM 444 CB GLU A 27 -3.949 0.618 5.327 1.00 74.40 C ATOM 445 CG GLU A 27 -4.480 0.658 6.757 1.00 25.23 C ATOM 446 CD GLU A 27 -4.966 2.044 7.160 1.00 32.33 C ATOM 447 OE1 GLU A 27 -5.993 2.502 6.623 1.00 34.15 O ATOM 448 OE2 GLU A 27 -4.311 2.690 8.007 1.00 23.23 O ATOM 0 H GLU A 27 -5.488 -1.374 5.197 1.00 0.41 H new ATOM 0 HA GLU A 27 -3.050 -0.686 3.855 1.00 10.21 H new ATOM 0 HB2 GLU A 27 -3.106 1.304 5.248 1.00 74.40 H new ATOM 0 HB3 GLU A 27 -4.724 0.988 4.656 1.00 74.40 H new ATOM 0 HG2 GLU A 27 -5.299 -0.054 6.857 1.00 25.23 H new ATOM 0 HG3 GLU A 27 -3.695 0.339 7.442 1.00 25.23 H new ATOM 455 N GLU A 28 -2.822 -2.175 6.756 1.00 11.02 N ATOM 456 CA GLU A 28 -1.891 -2.623 7.805 1.00 51.15 C ATOM 457 C GLU A 28 -0.712 -3.435 7.222 1.00 54.44 C ATOM 458 O GLU A 28 0.400 -3.390 7.750 1.00 63.52 O ATOM 459 CB GLU A 28 -2.629 -3.421 8.901 1.00 3.35 C ATOM 460 CG GLU A 28 -3.089 -4.812 8.488 1.00 64.32 C ATOM 461 CD GLU A 28 -3.784 -5.556 9.619 1.00 73.12 C ATOM 462 OE1 GLU A 28 -3.085 -6.214 10.420 1.00 73.14 O ATOM 463 OE2 GLU A 28 -5.029 -5.478 9.724 1.00 21.32 O ATOM 0 H GLU A 28 -3.763 -2.562 6.828 1.00 11.02 H new ATOM 0 HA GLU A 28 -1.470 -1.729 8.265 1.00 51.15 H new ATOM 0 HB2 GLU A 28 -1.972 -3.514 9.765 1.00 3.35 H new ATOM 0 HB3 GLU A 28 -3.499 -2.848 9.222 1.00 3.35 H new ATOM 0 HG2 GLU A 28 -3.769 -4.729 7.640 1.00 64.32 H new ATOM 0 HG3 GLU A 28 -2.229 -5.391 8.152 1.00 64.32 H new ATOM 470 N GLN A 29 -0.953 -4.164 6.128 1.00 3.22 N ATOM 471 CA GLN A 29 0.128 -4.880 5.422 1.00 14.25 C ATOM 472 C GLN A 29 0.837 -3.976 4.398 1.00 32.40 C ATOM 473 O GLN A 29 1.967 -4.248 3.997 1.00 74.23 O ATOM 474 CB GLN A 29 -0.392 -6.152 4.719 1.00 53.12 C ATOM 475 CG GLN A 29 -1.572 -5.926 3.774 1.00 31.33 C ATOM 476 CD GLN A 29 -2.919 -6.026 4.474 1.00 5.15 C ATOM 477 OE1 GLN A 29 -3.035 -5.773 5.662 1.00 22.43 O ATOM 478 NE2 GLN A 29 -3.947 -6.392 3.740 1.00 65.34 N ATOM 0 H GLN A 29 -1.877 -4.277 5.710 1.00 3.22 H new ATOM 0 HA GLN A 29 0.850 -5.174 6.184 1.00 14.25 H new ATOM 0 HB2 GLN A 29 0.427 -6.599 4.155 1.00 53.12 H new ATOM 0 HB3 GLN A 29 -0.687 -6.875 5.479 1.00 53.12 H new ATOM 0 HG2 GLN A 29 -1.479 -4.942 3.314 1.00 31.33 H new ATOM 0 HG3 GLN A 29 -1.532 -6.659 2.969 1.00 31.33 H new ATOM 0 HE21 GLN A 29 -3.819 -6.597 2.749 1.00 65.34 H new ATOM 0 HE22 GLN A 29 -4.872 -6.471 4.162 1.00 65.34 H new ATOM 487 N LEU A 30 0.172 -2.900 3.978 1.00 71.03 N ATOM 488 CA LEU A 30 0.757 -1.949 3.018 1.00 41.41 C ATOM 489 C LEU A 30 1.619 -0.891 3.726 1.00 71.50 C ATOM 490 O LEU A 30 2.437 -0.218 3.097 1.00 63.34 O ATOM 491 CB LEU A 30 -0.346 -1.266 2.202 1.00 33.32 C ATOM 492 CG LEU A 30 -1.254 -2.211 1.397 1.00 51.12 C ATOM 493 CD1 LEU A 30 -2.231 -1.414 0.537 1.00 40.43 C ATOM 494 CD2 LEU A 30 -0.428 -3.160 0.531 1.00 40.43 C ATOM 0 H LEU A 30 -0.771 -2.661 4.284 1.00 71.03 H new ATOM 0 HA LEU A 30 1.402 -2.515 2.346 1.00 41.41 H new ATOM 0 HB2 LEU A 30 -0.968 -0.683 2.881 1.00 33.32 H new ATOM 0 HB3 LEU A 30 0.119 -0.562 1.512 1.00 33.32 H new ATOM 0 HG LEU A 30 -1.826 -2.811 2.104 1.00 51.12 H new ATOM 0 HD11 LEU A 30 -2.865 -2.100 -0.025 1.00 40.43 H new ATOM 0 HD12 LEU A 30 -2.852 -0.788 1.177 1.00 40.43 H new ATOM 0 HD13 LEU A 30 -1.675 -0.784 -0.157 1.00 40.43 H new ATOM 0 HD21 LEU A 30 -1.095 -3.817 -0.027 1.00 40.43 H new ATOM 0 HD22 LEU A 30 0.179 -2.582 -0.166 1.00 40.43 H new ATOM 0 HD23 LEU A 30 0.223 -3.760 1.167 1.00 40.43 H new ATOM 506 N ARG A 31 1.426 -0.741 5.038 1.00 32.31 N ATOM 507 CA ARG A 31 2.249 0.174 5.843 1.00 42.01 C ATOM 508 C ARG A 31 2.667 -0.452 7.196 1.00 64.50 C ATOM 509 O ARG A 31 2.421 0.123 8.257 1.00 50.22 O ATOM 510 CB ARG A 31 1.509 1.501 6.089 1.00 43.54 C ATOM 511 CG ARG A 31 0.175 1.352 6.823 1.00 13.43 C ATOM 512 CD ARG A 31 -0.296 2.678 7.410 1.00 40.42 C ATOM 513 NE ARG A 31 -1.511 2.531 8.207 1.00 14.24 N ATOM 514 CZ ARG A 31 -1.526 2.352 9.503 1.00 23.31 C ATOM 515 NH1 ARG A 31 -0.427 2.254 10.176 1.00 23.11 N ATOM 516 NH2 ARG A 31 -2.651 2.261 10.124 1.00 11.13 N ATOM 0 H ARG A 31 0.710 -1.238 5.568 1.00 32.31 H new ATOM 0 HA ARG A 31 3.156 0.368 5.270 1.00 42.01 H new ATOM 0 HB2 ARG A 31 2.156 2.162 6.666 1.00 43.54 H new ATOM 0 HB3 ARG A 31 1.330 1.987 5.130 1.00 43.54 H new ATOM 0 HG2 ARG A 31 -0.579 0.971 6.134 1.00 13.43 H new ATOM 0 HG3 ARG A 31 0.279 0.617 7.621 1.00 13.43 H new ATOM 0 HD2 ARG A 31 0.495 3.099 8.031 1.00 40.42 H new ATOM 0 HD3 ARG A 31 -0.478 3.386 6.602 1.00 40.42 H new ATOM 0 HE ARG A 31 -2.407 2.570 7.721 1.00 14.24 H new ATOM 0 HH11 ARG A 31 0.471 2.316 9.697 1.00 23.11 H new ATOM 0 HH12 ARG A 31 -0.458 2.115 11.186 1.00 23.11 H new ATOM 0 HH21 ARG A 31 -3.527 2.328 9.605 1.00 11.13 H new ATOM 0 HH22 ARG A 31 -2.666 2.121 11.134 1.00 11.13 H new ATOM 530 N PRO A 32 3.342 -1.622 7.185 1.00 14.24 N ATOM 531 CA PRO A 32 3.824 -2.270 8.417 1.00 32.13 C ATOM 532 C PRO A 32 5.187 -1.712 8.874 1.00 51.02 C ATOM 533 O PRO A 32 5.966 -2.397 9.541 1.00 12.43 O ATOM 534 CB PRO A 32 3.949 -3.732 7.984 1.00 35.42 C ATOM 535 CG PRO A 32 4.352 -3.655 6.548 1.00 22.32 C ATOM 536 CD PRO A 32 3.696 -2.413 5.986 1.00 24.11 C ATOM 0 HA PRO A 32 3.163 -2.111 9.269 1.00 32.13 H new ATOM 0 HB2 PRO A 32 4.693 -4.261 8.579 1.00 35.42 H new ATOM 0 HB3 PRO A 32 3.006 -4.265 8.105 1.00 35.42 H new ATOM 0 HG2 PRO A 32 5.436 -3.599 6.451 1.00 22.32 H new ATOM 0 HG3 PRO A 32 4.029 -4.544 6.006 1.00 22.32 H new ATOM 0 HD2 PRO A 32 4.374 -1.865 5.332 1.00 24.11 H new ATOM 0 HD3 PRO A 32 2.814 -2.660 5.396 1.00 24.11 H new ATOM 544 N LEU A 33 5.453 -0.457 8.521 1.00 75.31 N ATOM 545 CA LEU A 33 6.739 0.191 8.803 1.00 35.52 C ATOM 546 C LEU A 33 6.853 0.616 10.281 1.00 0.12 C ATOM 547 O LEU A 33 5.856 0.978 10.906 1.00 31.22 O ATOM 548 CB LEU A 33 6.929 1.407 7.876 1.00 73.44 C ATOM 549 CG LEU A 33 7.196 1.088 6.388 1.00 45.32 C ATOM 550 CD1 LEU A 33 6.014 0.370 5.741 1.00 51.43 C ATOM 551 CD2 LEU A 33 7.530 2.364 5.617 1.00 65.42 C ATOM 0 H LEU A 33 4.787 0.142 8.032 1.00 75.31 H new ATOM 0 HA LEU A 33 7.530 -0.534 8.611 1.00 35.52 H new ATOM 0 HB2 LEU A 33 6.037 2.030 7.939 1.00 73.44 H new ATOM 0 HB3 LEU A 33 7.761 2.001 8.255 1.00 73.44 H new ATOM 0 HG LEU A 33 8.053 0.416 6.347 1.00 45.32 H new ATOM 0 HD11 LEU A 33 6.242 0.164 4.695 1.00 51.43 H new ATOM 0 HD12 LEU A 33 5.828 -0.568 6.264 1.00 51.43 H new ATOM 0 HD13 LEU A 33 5.127 1.001 5.802 1.00 51.43 H new ATOM 0 HD21 LEU A 33 7.715 2.119 4.571 1.00 65.42 H new ATOM 0 HD22 LEU A 33 6.693 3.059 5.685 1.00 65.42 H new ATOM 0 HD23 LEU A 33 8.420 2.825 6.045 1.00 65.42 H new ATOM 563 N PRO A 34 8.081 0.592 10.853 1.00 40.45 N ATOM 564 CA PRO A 34 8.317 0.922 12.278 1.00 23.14 C ATOM 565 C PRO A 34 7.762 2.304 12.682 1.00 33.05 C ATOM 566 O PRO A 34 6.864 2.401 13.521 1.00 72.44 O ATOM 567 CB PRO A 34 9.857 0.875 12.416 1.00 71.55 C ATOM 568 CG PRO A 34 10.381 0.906 11.015 1.00 51.31 C ATOM 569 CD PRO A 34 9.337 0.235 10.169 1.00 21.10 C ATOM 0 HA PRO A 34 7.801 0.226 12.939 1.00 23.14 H new ATOM 0 HB2 PRO A 34 10.226 1.723 12.993 1.00 71.55 H new ATOM 0 HB3 PRO A 34 10.178 -0.028 12.936 1.00 71.55 H new ATOM 0 HG2 PRO A 34 10.552 1.931 10.685 1.00 51.31 H new ATOM 0 HG3 PRO A 34 11.336 0.385 10.944 1.00 51.31 H new ATOM 0 HD2 PRO A 34 9.355 0.598 9.141 1.00 21.10 H new ATOM 0 HD3 PRO A 34 9.482 -0.844 10.128 1.00 21.10 H new ATOM 577 N ALA A 35 8.307 3.370 12.096 1.00 54.12 N ATOM 578 CA ALA A 35 7.790 4.728 12.320 1.00 61.35 C ATOM 579 C ALA A 35 7.973 5.604 11.075 1.00 44.23 C ATOM 580 O ALA A 35 8.933 6.371 10.975 1.00 33.31 O ATOM 581 CB ALA A 35 8.467 5.373 13.528 1.00 55.32 C ATOM 0 H ALA A 35 9.105 3.324 11.463 1.00 54.12 H new ATOM 0 HA ALA A 35 6.722 4.646 12.523 1.00 61.35 H new ATOM 0 HB1 ALA A 35 8.069 6.377 13.675 1.00 55.32 H new ATOM 0 HB2 ALA A 35 8.274 4.772 14.417 1.00 55.32 H new ATOM 0 HB3 ALA A 35 9.542 5.430 13.355 1.00 55.32 H new ATOM 587 N HIS A 36 7.062 5.470 10.114 1.00 21.10 N ATOM 588 CA HIS A 36 7.146 6.219 8.854 1.00 34.41 C ATOM 589 C HIS A 36 5.761 6.700 8.392 1.00 21.33 C ATOM 590 O HIS A 36 4.733 6.151 8.788 1.00 44.53 O ATOM 591 CB HIS A 36 7.794 5.355 7.763 1.00 12.44 C ATOM 592 CG HIS A 36 9.161 4.843 8.127 1.00 35.24 C ATOM 593 ND1 HIS A 36 10.245 5.665 8.336 1.00 5.13 N ATOM 594 CD2 HIS A 36 9.615 3.583 8.323 1.00 22.51 C ATOM 595 CE1 HIS A 36 11.299 4.936 8.639 1.00 23.01 C ATOM 596 NE2 HIS A 36 10.948 3.668 8.638 1.00 74.33 N ATOM 0 H HIS A 36 6.255 4.850 10.180 1.00 21.10 H new ATOM 0 HA HIS A 36 7.766 7.098 9.031 1.00 34.41 H new ATOM 0 HB2 HIS A 36 7.143 4.507 7.550 1.00 12.44 H new ATOM 0 HB3 HIS A 36 7.867 5.939 6.846 1.00 12.44 H new ATOM 0 HD2 HIS A 36 9.034 2.676 8.246 1.00 22.51 H new ATOM 0 HE1 HIS A 36 12.287 5.316 8.853 1.00 23.01 H new ATOM 0 HE2 HIS A 36 11.564 2.880 8.838 1.00 74.33 H new ATOM 605 N ASP A 37 5.756 7.727 7.548 1.00 43.31 N ATOM 606 CA ASP A 37 4.519 8.329 7.041 1.00 23.42 C ATOM 607 C ASP A 37 3.822 7.417 6.010 1.00 65.30 C ATOM 608 O ASP A 37 4.475 6.649 5.302 1.00 63.54 O ATOM 609 CB ASP A 37 4.852 9.690 6.417 1.00 12.34 C ATOM 610 CG ASP A 37 3.619 10.468 6.000 1.00 71.40 C ATOM 611 OD1 ASP A 37 2.896 10.965 6.889 1.00 53.34 O ATOM 612 OD2 ASP A 37 3.373 10.600 4.785 1.00 10.44 O ATOM 0 H ASP A 37 6.605 8.168 7.194 1.00 43.31 H new ATOM 0 HA ASP A 37 3.825 8.459 7.872 1.00 23.42 H new ATOM 0 HB2 ASP A 37 5.423 10.281 7.132 1.00 12.34 H new ATOM 0 HB3 ASP A 37 5.491 9.538 5.547 1.00 12.34 H new ATOM 617 N TYR A 38 2.494 7.505 5.931 1.00 54.14 N ATOM 618 CA TYR A 38 1.719 6.679 4.992 1.00 12.24 C ATOM 619 C TYR A 38 0.844 7.530 4.060 1.00 30.11 C ATOM 620 O TYR A 38 0.469 8.659 4.388 1.00 5.25 O ATOM 621 CB TYR A 38 0.862 5.655 5.756 1.00 25.51 C ATOM 622 CG TYR A 38 -0.065 6.250 6.810 1.00 1.02 C ATOM 623 CD1 TYR A 38 0.401 6.548 8.089 1.00 13.35 C ATOM 624 CD2 TYR A 38 -1.408 6.500 6.532 1.00 10.22 C ATOM 625 CE1 TYR A 38 -0.439 7.077 9.054 1.00 41.21 C ATOM 626 CE2 TYR A 38 -2.253 7.026 7.493 1.00 35.20 C ATOM 627 CZ TYR A 38 -1.764 7.313 8.753 1.00 11.44 C ATOM 628 OH TYR A 38 -2.602 7.840 9.717 1.00 43.32 O ATOM 0 H TYR A 38 1.930 8.136 6.501 1.00 54.14 H new ATOM 0 HA TYR A 38 2.432 6.144 4.365 1.00 12.24 H new ATOM 0 HB2 TYR A 38 0.261 5.099 5.037 1.00 25.51 H new ATOM 0 HB3 TYR A 38 1.525 4.938 6.240 1.00 25.51 H new ATOM 0 HD1 TYR A 38 1.437 6.363 8.332 1.00 13.35 H new ATOM 0 HD2 TYR A 38 -1.796 6.279 5.549 1.00 10.22 H new ATOM 0 HE1 TYR A 38 -0.058 7.304 10.039 1.00 41.21 H new ATOM 0 HE2 TYR A 38 -3.291 7.212 7.259 1.00 35.20 H new ATOM 0 HH TYR A 38 -3.502 7.947 9.345 1.00 43.32 H new ATOM 638 N PHE A 39 0.526 6.973 2.891 1.00 51.52 N ATOM 639 CA PHE A 39 -0.263 7.679 1.872 1.00 33.45 C ATOM 640 C PHE A 39 -1.724 7.176 1.853 1.00 4.01 C ATOM 641 O PHE A 39 -2.205 6.592 2.826 1.00 22.33 O ATOM 642 CB PHE A 39 0.396 7.480 0.491 1.00 13.42 C ATOM 643 CG PHE A 39 0.619 8.757 -0.284 1.00 71.04 C ATOM 644 CD1 PHE A 39 1.773 9.504 -0.093 1.00 42.52 C ATOM 645 CD2 PHE A 39 -0.319 9.211 -1.205 1.00 0.13 C ATOM 646 CE1 PHE A 39 1.985 10.673 -0.800 1.00 50.13 C ATOM 647 CE2 PHE A 39 -0.109 10.379 -1.913 1.00 15.11 C ATOM 648 CZ PHE A 39 1.042 11.110 -1.712 1.00 61.10 C ATOM 0 H PHE A 39 0.803 6.029 2.622 1.00 51.52 H new ATOM 0 HA PHE A 39 -0.284 8.741 2.115 1.00 33.45 H new ATOM 0 HB2 PHE A 39 1.355 6.981 0.628 1.00 13.42 H new ATOM 0 HB3 PHE A 39 -0.229 6.813 -0.103 1.00 13.42 H new ATOM 0 HD1 PHE A 39 2.515 9.168 0.617 1.00 42.52 H new ATOM 0 HD2 PHE A 39 -1.223 8.643 -1.369 1.00 0.13 H new ATOM 0 HE1 PHE A 39 2.887 11.245 -0.640 1.00 50.13 H new ATOM 0 HE2 PHE A 39 -0.847 10.719 -2.624 1.00 15.11 H new ATOM 0 HZ PHE A 39 1.207 12.022 -2.266 1.00 61.10 H new ATOM 658 N GLU A 40 -2.427 7.416 0.746 1.00 22.32 N ATOM 659 CA GLU A 40 -3.819 6.980 0.602 1.00 31.33 C ATOM 660 C GLU A 40 -3.923 5.466 0.357 1.00 11.33 C ATOM 661 O GLU A 40 -3.078 4.867 -0.319 1.00 32.31 O ATOM 662 CB GLU A 40 -4.503 7.731 -0.551 1.00 4.20 C ATOM 663 CG GLU A 40 -3.870 7.487 -1.922 1.00 73.32 C ATOM 664 CD GLU A 40 -4.667 8.112 -3.059 1.00 20.33 C ATOM 665 OE1 GLU A 40 -4.543 9.339 -3.277 1.00 21.34 O ATOM 666 OE2 GLU A 40 -5.422 7.378 -3.738 1.00 63.44 O ATOM 0 H GLU A 40 -2.056 7.910 -0.066 1.00 22.32 H new ATOM 0 HA GLU A 40 -4.324 7.210 1.540 1.00 31.33 H new ATOM 0 HB2 GLU A 40 -5.552 7.436 -0.590 1.00 4.20 H new ATOM 0 HB3 GLU A 40 -4.480 8.800 -0.338 1.00 4.20 H new ATOM 0 HG2 GLU A 40 -2.858 7.893 -1.928 1.00 73.32 H new ATOM 0 HG3 GLU A 40 -3.784 6.414 -2.092 1.00 73.32 H new ATOM 673 N PHE A 41 -4.964 4.856 0.919 1.00 71.41 N ATOM 674 CA PHE A 41 -5.266 3.440 0.689 1.00 40.41 C ATOM 675 C PHE A 41 -6.714 3.284 0.206 1.00 5.04 C ATOM 676 O PHE A 41 -7.658 3.605 0.929 1.00 10.00 O ATOM 677 CB PHE A 41 -5.031 2.621 1.967 1.00 54.53 C ATOM 678 CG PHE A 41 -3.614 2.708 2.478 1.00 54.12 C ATOM 679 CD1 PHE A 41 -2.605 1.938 1.913 1.00 63.31 C ATOM 680 CD2 PHE A 41 -3.288 3.572 3.515 1.00 4.24 C ATOM 681 CE1 PHE A 41 -1.305 2.031 2.374 1.00 72.33 C ATOM 682 CE2 PHE A 41 -1.990 3.664 3.980 1.00 71.14 C ATOM 683 CZ PHE A 41 -0.998 2.894 3.409 1.00 21.24 C ATOM 0 H PHE A 41 -5.621 5.324 1.544 1.00 71.41 H new ATOM 0 HA PHE A 41 -4.596 3.061 -0.083 1.00 40.41 H new ATOM 0 HB2 PHE A 41 -5.712 2.969 2.744 1.00 54.53 H new ATOM 0 HB3 PHE A 41 -5.276 1.577 1.772 1.00 54.53 H new ATOM 0 HD1 PHE A 41 -2.839 1.260 1.105 1.00 63.31 H new ATOM 0 HD2 PHE A 41 -4.059 4.180 3.964 1.00 4.24 H new ATOM 0 HE1 PHE A 41 -0.529 1.429 1.925 1.00 72.33 H new ATOM 0 HE2 PHE A 41 -1.752 4.338 4.790 1.00 71.14 H new ATOM 0 HZ PHE A 41 0.017 2.965 3.770 1.00 21.24 H new ATOM 693 N PHE A 42 -6.875 2.794 -1.020 1.00 32.21 N ATOM 694 CA PHE A 42 -8.190 2.715 -1.668 1.00 74.23 C ATOM 695 C PHE A 42 -9.197 1.863 -0.876 1.00 63.41 C ATOM 696 O PHE A 42 -8.839 0.864 -0.252 1.00 33.23 O ATOM 697 CB PHE A 42 -8.040 2.157 -3.089 1.00 64.21 C ATOM 698 CG PHE A 42 -7.544 0.728 -3.149 1.00 12.14 C ATOM 699 CD1 PHE A 42 -6.190 0.439 -3.032 1.00 74.32 C ATOM 700 CD2 PHE A 42 -8.435 -0.325 -3.329 1.00 55.42 C ATOM 701 CE1 PHE A 42 -5.739 -0.866 -3.091 1.00 62.43 C ATOM 702 CE2 PHE A 42 -7.985 -1.631 -3.390 1.00 42.53 C ATOM 703 CZ PHE A 42 -6.635 -1.900 -3.271 1.00 35.42 C ATOM 0 H PHE A 42 -6.107 2.442 -1.592 1.00 32.21 H new ATOM 0 HA PHE A 42 -8.588 3.729 -1.703 1.00 74.23 H new ATOM 0 HB2 PHE A 42 -9.005 2.216 -3.593 1.00 64.21 H new ATOM 0 HB3 PHE A 42 -7.350 2.792 -3.645 1.00 64.21 H new ATOM 0 HD1 PHE A 42 -5.482 1.243 -2.893 1.00 74.32 H new ATOM 0 HD2 PHE A 42 -9.491 -0.120 -3.422 1.00 55.42 H new ATOM 0 HE1 PHE A 42 -4.684 -1.077 -2.996 1.00 62.43 H new ATOM 0 HE2 PHE A 42 -8.687 -2.439 -3.530 1.00 42.53 H new ATOM 0 HZ PHE A 42 -6.281 -2.919 -3.319 1.00 35.42 H new ATOM 713 N ALA A 43 -10.461 2.272 -0.916 1.00 61.22 N ATOM 714 CA ALA A 43 -11.547 1.514 -0.290 1.00 22.33 C ATOM 715 C ALA A 43 -12.531 0.989 -1.349 1.00 11.34 C ATOM 716 O ALA A 43 -13.390 1.727 -1.843 1.00 35.31 O ATOM 717 CB ALA A 43 -12.267 2.377 0.743 1.00 31.33 C ATOM 0 H ALA A 43 -10.763 3.130 -1.378 1.00 61.22 H new ATOM 0 HA ALA A 43 -11.117 0.652 0.220 1.00 22.33 H new ATOM 0 HB1 ALA A 43 -13.072 1.802 1.201 1.00 31.33 H new ATOM 0 HB2 ALA A 43 -11.561 2.689 1.513 1.00 31.33 H new ATOM 0 HB3 ALA A 43 -12.683 3.258 0.254 1.00 31.33 H new ATOM 723 N ALA A 44 -12.374 -0.281 -1.715 1.00 1.15 N ATOM 724 CA ALA A 44 -13.241 -0.929 -2.706 1.00 21.53 C ATOM 725 C ALA A 44 -13.596 -2.354 -2.265 1.00 11.25 C ATOM 726 O ALA A 44 -12.725 -3.218 -2.185 1.00 31.11 O ATOM 727 CB ALA A 44 -12.560 -0.945 -4.070 1.00 61.22 C ATOM 0 H ALA A 44 -11.648 -0.890 -1.338 1.00 1.15 H new ATOM 0 HA ALA A 44 -14.166 -0.357 -2.784 1.00 21.53 H new ATOM 0 HB1 ALA A 44 -13.213 -1.428 -4.797 1.00 61.22 H new ATOM 0 HB2 ALA A 44 -12.358 0.078 -4.388 1.00 61.22 H new ATOM 0 HB3 ALA A 44 -11.622 -1.496 -4.002 1.00 61.22 H new ATOM 733 N ASP A 45 -14.880 -2.586 -1.986 1.00 75.53 N ATOM 734 CA ASP A 45 -15.347 -3.861 -1.420 1.00 51.42 C ATOM 735 C ASP A 45 -14.955 -5.089 -2.265 1.00 53.35 C ATOM 736 O ASP A 45 -14.864 -5.025 -3.494 1.00 32.22 O ATOM 737 CB ASP A 45 -16.869 -3.839 -1.261 1.00 55.15 C ATOM 738 CG ASP A 45 -17.354 -2.663 -0.435 1.00 54.20 C ATOM 739 OD1 ASP A 45 -17.133 -2.660 0.792 1.00 70.13 O ATOM 740 OD2 ASP A 45 -17.972 -1.747 -1.011 1.00 3.13 O ATOM 0 H ASP A 45 -15.623 -1.905 -2.143 1.00 75.53 H new ATOM 0 HA ASP A 45 -14.854 -3.959 -0.453 1.00 51.42 H new ATOM 0 HB2 ASP A 45 -17.333 -3.801 -2.247 1.00 55.15 H new ATOM 0 HB3 ASP A 45 -17.195 -4.767 -0.791 1.00 55.15 H new ATOM 745 N LEU A 46 -14.768 -6.217 -1.577 1.00 62.42 N ATOM 746 CA LEU A 46 -14.466 -7.513 -2.211 1.00 45.11 C ATOM 747 C LEU A 46 -15.709 -8.158 -2.870 1.00 61.22 C ATOM 748 O LEU A 46 -15.763 -9.375 -3.064 1.00 62.44 O ATOM 749 CB LEU A 46 -13.855 -8.461 -1.155 1.00 43.00 C ATOM 750 CG LEU A 46 -14.551 -8.474 0.226 1.00 43.50 C ATOM 751 CD1 LEU A 46 -15.910 -9.164 0.171 1.00 52.31 C ATOM 752 CD2 LEU A 46 -13.660 -9.128 1.275 1.00 1.44 C ATOM 0 H LEU A 46 -14.821 -6.263 -0.559 1.00 62.42 H new ATOM 0 HA LEU A 46 -13.751 -7.337 -3.014 1.00 45.11 H new ATOM 0 HB2 LEU A 46 -13.867 -9.475 -1.555 1.00 43.00 H new ATOM 0 HB3 LEU A 46 -12.810 -8.187 -1.011 1.00 43.00 H new ATOM 0 HG LEU A 46 -14.722 -7.436 0.512 1.00 43.50 H new ATOM 0 HD11 LEU A 46 -16.365 -9.151 1.161 1.00 52.31 H new ATOM 0 HD12 LEU A 46 -16.557 -8.639 -0.532 1.00 52.31 H new ATOM 0 HD13 LEU A 46 -15.781 -10.196 -0.156 1.00 52.31 H new ATOM 0 HD21 LEU A 46 -14.170 -9.126 2.238 1.00 1.44 H new ATOM 0 HD22 LEU A 46 -13.445 -10.155 0.981 1.00 1.44 H new ATOM 0 HD23 LEU A 46 -12.726 -8.571 1.358 1.00 1.44 H new ATOM 764 N SER A 47 -16.687 -7.333 -3.233 1.00 74.03 N ATOM 765 CA SER A 47 -17.940 -7.823 -3.827 1.00 24.24 C ATOM 766 C SER A 47 -17.851 -7.926 -5.355 1.00 41.44 C ATOM 767 O SER A 47 -16.872 -7.492 -5.971 1.00 70.24 O ATOM 768 CB SER A 47 -19.107 -6.903 -3.445 1.00 31.30 C ATOM 769 OG SER A 47 -20.305 -7.297 -4.095 1.00 51.31 O ATOM 0 H SER A 47 -16.642 -6.319 -3.128 1.00 74.03 H new ATOM 0 HA SER A 47 -18.113 -8.823 -3.430 1.00 24.24 H new ATOM 0 HB2 SER A 47 -19.252 -6.925 -2.365 1.00 31.30 H new ATOM 0 HB3 SER A 47 -18.866 -5.875 -3.714 1.00 31.30 H new ATOM 0 HG SER A 47 -21.020 -6.663 -3.876 1.00 51.31 H new ATOM 775 N LEU A 48 -18.893 -8.489 -5.964 1.00 50.53 N ATOM 776 CA LEU A 48 -18.947 -8.669 -7.416 1.00 60.30 C ATOM 777 C LEU A 48 -19.384 -7.374 -8.134 1.00 43.30 C ATOM 778 O LEU A 48 -19.253 -7.257 -9.358 1.00 41.44 O ATOM 779 CB LEU A 48 -19.907 -9.819 -7.760 1.00 12.42 C ATOM 780 CG LEU A 48 -19.950 -10.225 -9.243 1.00 61.40 C ATOM 781 CD1 LEU A 48 -18.576 -10.693 -9.721 1.00 40.31 C ATOM 782 CD2 LEU A 48 -21.005 -11.305 -9.477 1.00 51.11 C ATOM 0 H LEU A 48 -19.718 -8.831 -5.471 1.00 50.53 H new ATOM 0 HA LEU A 48 -17.944 -8.915 -7.765 1.00 60.30 H new ATOM 0 HB2 LEU A 48 -19.626 -10.692 -7.170 1.00 12.42 H new ATOM 0 HB3 LEU A 48 -20.913 -9.535 -7.450 1.00 12.42 H new ATOM 0 HG LEU A 48 -20.227 -9.347 -9.827 1.00 61.40 H new ATOM 0 HD11 LEU A 48 -18.633 -10.974 -10.772 1.00 40.31 H new ATOM 0 HD12 LEU A 48 -17.854 -9.885 -9.600 1.00 40.31 H new ATOM 0 HD13 LEU A 48 -18.259 -11.554 -9.132 1.00 40.31 H new ATOM 0 HD21 LEU A 48 -21.019 -11.578 -10.532 1.00 51.11 H new ATOM 0 HD22 LEU A 48 -20.765 -12.184 -8.878 1.00 51.11 H new ATOM 0 HD23 LEU A 48 -21.985 -10.925 -9.188 1.00 51.11 H new ATOM 794 N TYR A 49 -19.911 -6.411 -7.372 1.00 71.15 N ATOM 795 CA TYR A 49 -20.305 -5.107 -7.931 1.00 13.11 C ATOM 796 C TYR A 49 -19.142 -4.451 -8.701 1.00 2.40 C ATOM 797 O TYR A 49 -17.985 -4.547 -8.288 1.00 0.15 O ATOM 798 CB TYR A 49 -20.788 -4.162 -6.818 1.00 72.43 C ATOM 799 CG TYR A 49 -22.114 -4.561 -6.190 1.00 1.31 C ATOM 800 CD1 TYR A 49 -23.314 -4.372 -6.873 1.00 44.32 C ATOM 801 CD2 TYR A 49 -22.170 -5.119 -4.917 1.00 20.42 C ATOM 802 CE1 TYR A 49 -24.524 -4.727 -6.305 1.00 20.45 C ATOM 803 CE2 TYR A 49 -23.378 -5.475 -4.344 1.00 22.30 C ATOM 804 CZ TYR A 49 -24.551 -5.278 -5.042 1.00 23.32 C ATOM 805 OH TYR A 49 -25.757 -5.628 -4.471 1.00 13.24 O ATOM 0 H TYR A 49 -20.076 -6.506 -6.370 1.00 71.15 H new ATOM 0 HA TYR A 49 -21.123 -5.286 -8.629 1.00 13.11 H new ATOM 0 HB2 TYR A 49 -20.028 -4.120 -6.038 1.00 72.43 H new ATOM 0 HB3 TYR A 49 -20.881 -3.156 -7.227 1.00 72.43 H new ATOM 0 HD1 TYR A 49 -23.299 -3.941 -7.863 1.00 44.32 H new ATOM 0 HD2 TYR A 49 -21.255 -5.277 -4.366 1.00 20.42 H new ATOM 0 HE1 TYR A 49 -25.444 -4.573 -6.849 1.00 20.45 H new ATOM 0 HE2 TYR A 49 -23.402 -5.906 -3.354 1.00 22.30 H new ATOM 0 HH TYR A 49 -25.600 -6.003 -3.579 1.00 13.24 H new ATOM 815 N PRO A 50 -19.432 -3.782 -9.834 1.00 31.31 N ATOM 816 CA PRO A 50 -18.397 -3.137 -10.664 1.00 61.24 C ATOM 817 C PRO A 50 -17.568 -2.080 -9.904 1.00 75.21 C ATOM 818 O PRO A 50 -18.056 -0.989 -9.598 1.00 73.31 O ATOM 819 CB PRO A 50 -19.201 -2.481 -11.798 1.00 24.30 C ATOM 820 CG PRO A 50 -20.491 -3.229 -11.838 1.00 45.03 C ATOM 821 CD PRO A 50 -20.779 -3.616 -10.412 1.00 21.55 C ATOM 0 HA PRO A 50 -17.658 -3.862 -11.005 1.00 61.24 H new ATOM 0 HB2 PRO A 50 -19.365 -1.421 -11.604 1.00 24.30 H new ATOM 0 HB3 PRO A 50 -18.673 -2.553 -12.749 1.00 24.30 H new ATOM 0 HG2 PRO A 50 -21.290 -2.610 -12.245 1.00 45.03 H new ATOM 0 HG3 PRO A 50 -20.414 -4.110 -12.475 1.00 45.03 H new ATOM 0 HD2 PRO A 50 -21.349 -2.846 -9.892 1.00 21.55 H new ATOM 0 HD3 PRO A 50 -21.360 -4.537 -10.353 1.00 21.55 H new ATOM 829 N HIS A 51 -16.315 -2.415 -9.596 1.00 23.52 N ATOM 830 CA HIS A 51 -15.387 -1.470 -8.954 1.00 74.01 C ATOM 831 C HIS A 51 -14.369 -0.921 -9.966 1.00 54.44 C ATOM 832 O HIS A 51 -14.218 -1.455 -11.067 1.00 41.14 O ATOM 833 CB HIS A 51 -14.652 -2.148 -7.792 1.00 63.20 C ATOM 834 CG HIS A 51 -15.560 -2.618 -6.698 1.00 31.11 C ATOM 835 ND1 HIS A 51 -16.059 -3.899 -6.636 1.00 21.15 N ATOM 836 CD2 HIS A 51 -16.056 -1.973 -5.614 1.00 50.25 C ATOM 837 CE1 HIS A 51 -16.820 -4.024 -5.568 1.00 51.11 C ATOM 838 NE2 HIS A 51 -16.836 -2.872 -4.929 1.00 73.14 N ATOM 0 H HIS A 51 -15.914 -3.335 -9.779 1.00 23.52 H new ATOM 0 HA HIS A 51 -15.973 -0.636 -8.568 1.00 74.01 H new ATOM 0 HB2 HIS A 51 -14.090 -2.999 -8.176 1.00 63.20 H new ATOM 0 HB3 HIS A 51 -13.927 -1.449 -7.375 1.00 63.20 H new ATOM 0 HD1 HIS A 51 -15.869 -4.638 -7.313 1.00 21.15 H new ATOM 0 HD2 HIS A 51 -15.872 -0.945 -5.340 1.00 50.25 H new ATOM 0 HE1 HIS A 51 -17.343 -4.920 -5.267 1.00 51.11 H new ATOM 847 N LEU A 52 -13.670 0.142 -9.581 1.00 2.21 N ATOM 848 CA LEU A 52 -12.672 0.776 -10.452 1.00 5.22 C ATOM 849 C LEU A 52 -11.262 0.242 -10.165 1.00 52.22 C ATOM 850 O LEU A 52 -11.008 -0.352 -9.114 1.00 14.44 O ATOM 851 CB LEU A 52 -12.687 2.304 -10.278 1.00 5.55 C ATOM 852 CG LEU A 52 -13.946 3.033 -10.792 1.00 42.02 C ATOM 853 CD1 LEU A 52 -15.181 2.673 -9.968 1.00 14.42 C ATOM 854 CD2 LEU A 52 -13.723 4.544 -10.799 1.00 62.34 C ATOM 0 H LEU A 52 -13.773 0.588 -8.669 1.00 2.21 H new ATOM 0 HA LEU A 52 -12.936 0.530 -11.480 1.00 5.22 H new ATOM 0 HB2 LEU A 52 -12.568 2.530 -9.218 1.00 5.55 H new ATOM 0 HB3 LEU A 52 -11.818 2.716 -10.791 1.00 5.55 H new ATOM 0 HG LEU A 52 -14.127 2.702 -11.815 1.00 42.02 H new ATOM 0 HD11 LEU A 52 -16.048 3.206 -10.360 1.00 14.42 H new ATOM 0 HD12 LEU A 52 -15.358 1.599 -10.027 1.00 14.42 H new ATOM 0 HD13 LEU A 52 -15.020 2.957 -8.928 1.00 14.42 H new ATOM 0 HD21 LEU A 52 -14.621 5.043 -11.164 1.00 62.34 H new ATOM 0 HD22 LEU A 52 -13.505 4.884 -9.787 1.00 62.34 H new ATOM 0 HD23 LEU A 52 -12.883 4.785 -11.451 1.00 62.34 H new ATOM 866 N TYR A 53 -10.344 0.465 -11.103 1.00 73.12 N ATOM 867 CA TYR A 53 -8.955 0.027 -10.940 1.00 44.21 C ATOM 868 C TYR A 53 -8.175 0.992 -10.035 1.00 15.02 C ATOM 869 O TYR A 53 -7.550 1.949 -10.502 1.00 32.03 O ATOM 870 CB TYR A 53 -8.274 -0.108 -12.308 1.00 23.02 C ATOM 871 CG TYR A 53 -8.962 -1.105 -13.224 1.00 5.00 C ATOM 872 CD1 TYR A 53 -10.059 -0.730 -13.993 1.00 64.04 C ATOM 873 CD2 TYR A 53 -8.519 -2.421 -13.315 1.00 24.10 C ATOM 874 CE1 TYR A 53 -10.692 -1.631 -14.825 1.00 33.43 C ATOM 875 CE2 TYR A 53 -9.148 -3.328 -14.146 1.00 52.04 C ATOM 876 CZ TYR A 53 -10.234 -2.929 -14.899 1.00 43.43 C ATOM 877 OH TYR A 53 -10.862 -3.829 -15.730 1.00 4.51 O ATOM 0 H TYR A 53 -10.534 0.945 -11.983 1.00 73.12 H new ATOM 0 HA TYR A 53 -8.960 -0.951 -10.458 1.00 44.21 H new ATOM 0 HB2 TYR A 53 -8.253 0.867 -12.794 1.00 23.02 H new ATOM 0 HB3 TYR A 53 -7.238 -0.414 -12.162 1.00 23.02 H new ATOM 0 HD1 TYR A 53 -10.422 0.286 -13.938 1.00 64.04 H new ATOM 0 HD2 TYR A 53 -7.670 -2.738 -12.727 1.00 24.10 H new ATOM 0 HE1 TYR A 53 -11.542 -1.321 -15.415 1.00 33.43 H new ATOM 0 HE2 TYR A 53 -8.791 -4.346 -14.206 1.00 52.04 H new ATOM 0 HH TYR A 53 -10.416 -4.699 -15.667 1.00 4.51 H new ATOM 887 N SER A 54 -8.248 0.748 -8.731 1.00 22.40 N ATOM 888 CA SER A 54 -7.595 1.605 -7.732 1.00 52.23 C ATOM 889 C SER A 54 -6.151 1.152 -7.441 1.00 44.50 C ATOM 890 O SER A 54 -5.677 0.157 -7.988 1.00 71.32 O ATOM 891 CB SER A 54 -8.417 1.608 -6.434 1.00 41.15 C ATOM 892 OG SER A 54 -9.767 1.986 -6.672 1.00 41.33 O ATOM 0 H SER A 54 -8.756 -0.042 -8.333 1.00 22.40 H new ATOM 0 HA SER A 54 -7.546 2.615 -8.140 1.00 52.23 H new ATOM 0 HB2 SER A 54 -8.390 0.616 -5.983 1.00 41.15 H new ATOM 0 HB3 SER A 54 -7.966 2.296 -5.718 1.00 41.15 H new ATOM 0 HG SER A 54 -10.263 1.976 -5.827 1.00 41.33 H new ATOM 898 N ARG A 55 -5.450 1.899 -6.579 1.00 33.10 N ATOM 899 CA ARG A 55 -4.059 1.576 -6.216 1.00 13.00 C ATOM 900 C ARG A 55 -3.667 2.203 -4.866 1.00 14.53 C ATOM 901 O ARG A 55 -4.456 2.922 -4.253 1.00 65.44 O ATOM 902 CB ARG A 55 -3.078 2.032 -7.319 1.00 4.32 C ATOM 903 CG ARG A 55 -3.009 3.546 -7.563 1.00 61.30 C ATOM 904 CD ARG A 55 -4.302 4.114 -8.143 1.00 71.11 C ATOM 905 NE ARG A 55 -4.107 5.443 -8.729 1.00 33.54 N ATOM 906 CZ ARG A 55 -4.695 6.538 -8.317 1.00 14.24 C ATOM 907 NH1 ARG A 55 -5.474 6.523 -7.283 1.00 75.34 N ATOM 908 NH2 ARG A 55 -4.494 7.654 -8.941 1.00 44.11 N ATOM 0 H ARG A 55 -5.820 2.731 -6.119 1.00 33.10 H new ATOM 0 HA ARG A 55 -3.995 0.492 -6.118 1.00 13.00 H new ATOM 0 HB2 ARG A 55 -2.080 1.678 -7.061 1.00 4.32 H new ATOM 0 HB3 ARG A 55 -3.358 1.544 -8.253 1.00 4.32 H new ATOM 0 HG2 ARG A 55 -2.786 4.051 -6.623 1.00 61.30 H new ATOM 0 HG3 ARG A 55 -2.186 3.762 -8.244 1.00 61.30 H new ATOM 0 HD2 ARG A 55 -4.686 3.435 -8.905 1.00 71.11 H new ATOM 0 HD3 ARG A 55 -5.056 4.172 -7.358 1.00 71.11 H new ATOM 0 HE ARG A 55 -3.465 5.521 -9.517 1.00 33.54 H new ATOM 0 HH11 ARG A 55 -5.636 5.651 -6.779 1.00 75.34 H new ATOM 0 HH12 ARG A 55 -5.926 7.383 -6.972 1.00 75.34 H new ATOM 0 HH21 ARG A 55 -3.878 7.680 -9.753 1.00 44.11 H new ATOM 0 HH22 ARG A 55 -4.952 8.507 -8.620 1.00 44.11 H new ATOM 922 N ALA A 56 -2.447 1.926 -4.405 1.00 32.43 N ATOM 923 CA ALA A 56 -1.963 2.461 -3.125 1.00 24.44 C ATOM 924 C ALA A 56 -0.526 2.995 -3.238 1.00 40.11 C ATOM 925 O ALA A 56 0.215 2.641 -4.160 1.00 43.15 O ATOM 926 CB ALA A 56 -2.057 1.393 -2.040 1.00 21.25 C ATOM 0 H ALA A 56 -1.775 1.336 -4.895 1.00 32.43 H new ATOM 0 HA ALA A 56 -2.601 3.302 -2.851 1.00 24.44 H new ATOM 0 HB1 ALA A 56 -1.696 1.801 -1.096 1.00 21.25 H new ATOM 0 HB2 ALA A 56 -3.095 1.080 -1.927 1.00 21.25 H new ATOM 0 HB3 ALA A 56 -1.448 0.534 -2.321 1.00 21.25 H new ATOM 932 N TYR A 57 -0.138 3.849 -2.292 1.00 72.33 N ATOM 933 CA TYR A 57 1.186 4.484 -2.311 1.00 14.53 C ATOM 934 C TYR A 57 1.898 4.339 -0.955 1.00 53.34 C ATOM 935 O TYR A 57 1.265 4.419 0.099 1.00 14.01 O ATOM 936 CB TYR A 57 1.050 5.973 -2.667 1.00 51.51 C ATOM 937 CG TYR A 57 0.378 6.225 -4.005 1.00 32.41 C ATOM 938 CD1 TYR A 57 -1.011 6.260 -4.116 1.00 41.32 C ATOM 939 CD2 TYR A 57 1.131 6.426 -5.155 1.00 5.43 C ATOM 940 CE1 TYR A 57 -1.622 6.483 -5.334 1.00 41.21 C ATOM 941 CE2 TYR A 57 0.524 6.651 -6.374 1.00 75.20 C ATOM 942 CZ TYR A 57 -0.850 6.678 -6.458 1.00 11.52 C ATOM 943 OH TYR A 57 -1.451 6.902 -7.674 1.00 11.04 O ATOM 0 H TYR A 57 -0.721 4.120 -1.500 1.00 72.33 H new ATOM 0 HA TYR A 57 1.788 3.980 -3.067 1.00 14.53 H new ATOM 0 HB2 TYR A 57 0.479 6.473 -1.885 1.00 51.51 H new ATOM 0 HB3 TYR A 57 2.041 6.426 -2.678 1.00 51.51 H new ATOM 0 HD1 TYR A 57 -1.619 6.110 -3.236 1.00 41.32 H new ATOM 0 HD2 TYR A 57 2.209 6.406 -5.094 1.00 5.43 H new ATOM 0 HE1 TYR A 57 -2.699 6.504 -5.405 1.00 41.21 H new ATOM 0 HE2 TYR A 57 1.124 6.805 -7.258 1.00 75.20 H new ATOM 0 HH TYR A 57 -0.763 7.021 -8.362 1.00 11.04 H new ATOM 953 N ILE A 58 3.217 4.144 -0.987 1.00 12.12 N ATOM 954 CA ILE A 58 4.009 3.981 0.241 1.00 0.31 C ATOM 955 C ILE A 58 5.080 5.081 0.363 1.00 73.22 C ATOM 956 O ILE A 58 6.028 5.134 -0.422 1.00 45.11 O ATOM 957 CB ILE A 58 4.701 2.592 0.298 1.00 22.24 C ATOM 958 CG1 ILE A 58 3.666 1.465 0.121 1.00 65.33 C ATOM 959 CG2 ILE A 58 5.459 2.428 1.619 1.00 64.13 C ATOM 960 CD1 ILE A 58 4.269 0.074 0.088 1.00 34.52 C ATOM 0 H ILE A 58 3.763 4.095 -1.847 1.00 12.12 H new ATOM 0 HA ILE A 58 3.311 4.061 1.074 1.00 0.31 H new ATOM 0 HB ILE A 58 5.418 2.528 -0.520 1.00 22.24 H new ATOM 0 HG12 ILE A 58 2.944 1.518 0.936 1.00 65.33 H new ATOM 0 HG13 ILE A 58 3.115 1.633 -0.805 1.00 65.33 H new ATOM 0 HG21 ILE A 58 5.939 1.450 1.644 1.00 64.13 H new ATOM 0 HG22 ILE A 58 6.218 3.206 1.702 1.00 64.13 H new ATOM 0 HG23 ILE A 58 4.761 2.511 2.452 1.00 64.13 H new ATOM 0 HD11 ILE A 58 3.476 -0.663 -0.039 1.00 34.52 H new ATOM 0 HD12 ILE A 58 4.970 0.001 -0.744 1.00 34.52 H new ATOM 0 HD13 ILE A 58 4.795 -0.117 1.023 1.00 34.52 H new ATOM 972 N ASN A 59 4.931 5.952 1.359 1.00 51.30 N ATOM 973 CA ASN A 59 5.858 7.071 1.546 1.00 25.44 C ATOM 974 C ASN A 59 7.016 6.697 2.487 1.00 1.24 C ATOM 975 O ASN A 59 6.943 6.887 3.703 1.00 72.20 O ATOM 976 CB ASN A 59 5.107 8.297 2.083 1.00 32.42 C ATOM 977 CG ASN A 59 5.985 9.533 2.164 1.00 5.13 C ATOM 978 OD1 ASN A 59 6.926 9.702 1.395 1.00 54.44 O ATOM 979 ND2 ASN A 59 5.692 10.403 3.102 1.00 45.21 N ATOM 0 H ASN A 59 4.180 5.907 2.048 1.00 51.30 H new ATOM 0 HA ASN A 59 6.288 7.313 0.574 1.00 25.44 H new ATOM 0 HB2 ASN A 59 4.252 8.505 1.439 1.00 32.42 H new ATOM 0 HB3 ASN A 59 4.712 8.071 3.074 1.00 32.42 H new ATOM 0 HD21 ASN A 59 6.253 11.248 3.207 1.00 45.21 H new ATOM 0 HD22 ASN A 59 4.903 10.234 3.726 1.00 45.21 H new ATOM 986 N PHE A 60 8.078 6.144 1.913 1.00 33.50 N ATOM 987 CA PHE A 60 9.281 5.801 2.678 1.00 22.10 C ATOM 988 C PHE A 60 9.970 7.052 3.240 1.00 55.31 C ATOM 989 O PHE A 60 9.861 8.139 2.678 1.00 30.53 O ATOM 990 CB PHE A 60 10.257 5.000 1.807 1.00 52.44 C ATOM 991 CG PHE A 60 9.900 3.540 1.707 1.00 51.33 C ATOM 992 CD1 PHE A 60 10.298 2.666 2.700 1.00 32.43 C ATOM 993 CD2 PHE A 60 9.169 3.046 0.637 1.00 34.54 C ATOM 994 CE1 PHE A 60 9.979 1.329 2.638 1.00 74.43 C ATOM 995 CE2 PHE A 60 8.846 1.704 0.566 1.00 31.31 C ATOM 996 CZ PHE A 60 9.251 0.843 1.569 1.00 74.32 C ATOM 0 H PHE A 60 8.135 5.921 0.919 1.00 33.50 H new ATOM 0 HA PHE A 60 8.972 5.186 3.523 1.00 22.10 H new ATOM 0 HB2 PHE A 60 10.279 5.432 0.806 1.00 52.44 H new ATOM 0 HB3 PHE A 60 11.262 5.095 2.218 1.00 52.44 H new ATOM 0 HD1 PHE A 60 10.869 3.038 3.538 1.00 32.43 H new ATOM 0 HD2 PHE A 60 8.849 3.716 -0.148 1.00 34.54 H new ATOM 0 HE1 PHE A 60 10.297 0.660 3.424 1.00 74.43 H new ATOM 0 HE2 PHE A 60 8.278 1.328 -0.272 1.00 31.31 H new ATOM 0 HZ PHE A 60 8.999 -0.206 1.517 1.00 74.32 H new ATOM 1006 N ARG A 61 10.682 6.898 4.357 1.00 41.31 N ATOM 1007 CA ARG A 61 11.323 8.040 5.029 1.00 72.25 C ATOM 1008 C ARG A 61 12.828 7.811 5.257 1.00 24.33 C ATOM 1009 O ARG A 61 13.476 8.583 5.967 1.00 25.31 O ATOM 1010 CB ARG A 61 10.632 8.307 6.375 1.00 43.42 C ATOM 1011 CG ARG A 61 9.125 8.577 6.284 1.00 31.41 C ATOM 1012 CD ARG A 61 8.799 9.997 5.818 1.00 71.41 C ATOM 1013 NE ARG A 61 9.162 10.244 4.422 1.00 72.11 N ATOM 1014 CZ ARG A 61 8.873 11.340 3.775 1.00 43.53 C ATOM 1015 NH1 ARG A 61 8.179 12.277 4.337 1.00 63.44 N ATOM 1016 NH2 ARG A 61 9.263 11.491 2.554 1.00 51.32 N ATOM 0 H ARG A 61 10.832 6.000 4.817 1.00 41.31 H new ATOM 0 HA ARG A 61 11.216 8.905 4.375 1.00 72.25 H new ATOM 0 HB2 ARG A 61 10.794 7.448 7.027 1.00 43.42 H new ATOM 0 HB3 ARG A 61 11.112 9.163 6.850 1.00 43.42 H new ATOM 0 HG2 ARG A 61 8.674 7.862 5.595 1.00 31.41 H new ATOM 0 HG3 ARG A 61 8.672 8.408 7.261 1.00 31.41 H new ATOM 0 HD2 ARG A 61 7.732 10.179 5.947 1.00 71.41 H new ATOM 0 HD3 ARG A 61 9.323 10.710 6.454 1.00 71.41 H new ATOM 0 HE ARG A 61 9.672 9.515 3.924 1.00 72.11 H new ATOM 0 HH11 ARG A 61 7.851 12.163 5.296 1.00 63.44 H new ATOM 0 HH12 ARG A 61 7.960 13.129 3.821 1.00 63.44 H new ATOM 0 HH21 ARG A 61 9.797 10.754 2.094 1.00 51.32 H new ATOM 0 HH22 ARG A 61 9.037 12.348 2.049 1.00 51.32 H new ATOM 1030 N ASN A 62 13.387 6.756 4.657 1.00 54.44 N ATOM 1031 CA ASN A 62 14.817 6.443 4.826 1.00 73.41 C ATOM 1032 C ASN A 62 15.324 5.501 3.713 1.00 54.04 C ATOM 1033 O ASN A 62 14.641 4.545 3.351 1.00 63.14 O ATOM 1034 CB ASN A 62 15.050 5.806 6.205 1.00 41.40 C ATOM 1035 CG ASN A 62 16.523 5.752 6.584 1.00 62.32 C ATOM 1036 OD1 ASN A 62 17.149 4.610 6.383 1.00 35.12 O flip ATOM 1037 ND2 ASN A 62 17.089 6.723 7.069 1.00 30.00 N flip ATOM 0 H ASN A 62 12.880 6.107 4.055 1.00 54.44 H new ATOM 0 HA ASN A 62 15.379 7.374 4.755 1.00 73.41 H new ATOM 0 HB2 ASN A 62 14.505 6.373 6.960 1.00 41.40 H new ATOM 0 HB3 ASN A 62 14.641 4.796 6.208 1.00 41.40 H new ATOM 0 HD21 ASN A 62 16.577 7.593 7.212 1.00 30.00 H new ATOM 0 HD22 ASN A 62 18.073 6.662 7.330 1.00 30.00 H new ATOM 1044 N PRO A 63 16.533 5.754 3.160 1.00 44.34 N ATOM 1045 CA PRO A 63 17.111 4.923 2.081 1.00 3.01 C ATOM 1046 C PRO A 63 17.225 3.434 2.462 1.00 43.05 C ATOM 1047 O PRO A 63 16.861 2.549 1.681 1.00 3.42 O ATOM 1048 CB PRO A 63 18.508 5.541 1.854 1.00 4.53 C ATOM 1049 CG PRO A 63 18.773 6.371 3.067 1.00 74.34 C ATOM 1050 CD PRO A 63 17.431 6.862 3.531 1.00 11.32 C ATOM 0 HA PRO A 63 16.481 4.928 1.192 1.00 3.01 H new ATOM 0 HB2 PRO A 63 19.266 4.767 1.734 1.00 4.53 H new ATOM 0 HB3 PRO A 63 18.527 6.149 0.949 1.00 4.53 H new ATOM 0 HG2 PRO A 63 19.264 5.783 3.843 1.00 74.34 H new ATOM 0 HG3 PRO A 63 19.435 7.205 2.833 1.00 74.34 H new ATOM 0 HD2 PRO A 63 17.418 7.051 4.604 1.00 11.32 H new ATOM 0 HD3 PRO A 63 17.149 7.793 3.040 1.00 11.32 H new ATOM 1058 N ASP A 64 17.737 3.166 3.663 1.00 34.34 N ATOM 1059 CA ASP A 64 17.843 1.798 4.178 1.00 43.23 C ATOM 1060 C ASP A 64 16.453 1.165 4.357 1.00 15.24 C ATOM 1061 O ASP A 64 16.256 -0.025 4.108 1.00 24.40 O ATOM 1062 CB ASP A 64 18.575 1.808 5.519 1.00 43.04 C ATOM 1063 CG ASP A 64 19.866 2.600 5.459 1.00 72.10 C ATOM 1064 OD1 ASP A 64 20.914 2.017 5.120 1.00 11.40 O ATOM 1065 OD2 ASP A 64 19.830 3.815 5.749 1.00 44.11 O ATOM 0 H ASP A 64 18.087 3.881 4.301 1.00 34.34 H new ATOM 0 HA ASP A 64 18.402 1.204 3.455 1.00 43.23 H new ATOM 0 HB2 ASP A 64 17.925 2.233 6.283 1.00 43.04 H new ATOM 0 HB3 ASP A 64 18.793 0.783 5.820 1.00 43.04 H new ATOM 1070 N ASP A 65 15.498 1.989 4.781 1.00 53.12 N ATOM 1071 CA ASP A 65 14.117 1.557 5.012 1.00 11.52 C ATOM 1072 C ASP A 65 13.480 1.073 3.696 1.00 51.12 C ATOM 1073 O ASP A 65 12.737 0.090 3.669 1.00 25.40 O ATOM 1074 CB ASP A 65 13.345 2.743 5.612 1.00 73.41 C ATOM 1075 CG ASP A 65 11.947 2.403 6.091 1.00 62.34 C ATOM 1076 OD1 ASP A 65 11.811 1.523 6.965 1.00 22.45 O ATOM 1077 OD2 ASP A 65 10.986 3.058 5.635 1.00 41.24 O ATOM 0 H ASP A 65 15.658 2.978 4.975 1.00 53.12 H new ATOM 0 HA ASP A 65 14.087 0.717 5.706 1.00 11.52 H new ATOM 0 HB2 ASP A 65 13.915 3.145 6.449 1.00 73.41 H new ATOM 0 HB3 ASP A 65 13.277 3.533 4.864 1.00 73.41 H new ATOM 1082 N ILE A 66 13.816 1.761 2.600 1.00 52.20 N ATOM 1083 CA ILE A 66 13.341 1.390 1.262 1.00 1.12 C ATOM 1084 C ILE A 66 13.774 -0.037 0.879 1.00 3.23 C ATOM 1085 O ILE A 66 12.933 -0.899 0.620 1.00 4.13 O ATOM 1086 CB ILE A 66 13.859 2.379 0.184 1.00 45.22 C ATOM 1087 CG1 ILE A 66 13.423 3.817 0.520 1.00 53.11 C ATOM 1088 CG2 ILE A 66 13.364 1.973 -1.207 1.00 15.53 C ATOM 1089 CD1 ILE A 66 13.956 4.864 -0.436 1.00 2.22 C ATOM 0 H ILE A 66 14.419 2.583 2.614 1.00 52.20 H new ATOM 0 HA ILE A 66 12.252 1.433 1.299 1.00 1.12 H new ATOM 0 HB ILE A 66 14.948 2.342 0.179 1.00 45.22 H new ATOM 0 HG12 ILE A 66 12.334 3.864 0.523 1.00 53.11 H new ATOM 0 HG13 ILE A 66 13.755 4.059 1.529 1.00 53.11 H new ATOM 0 HG21 ILE A 66 13.739 2.680 -1.947 1.00 15.53 H new ATOM 0 HG22 ILE A 66 13.726 0.973 -1.444 1.00 15.53 H new ATOM 0 HG23 ILE A 66 12.274 1.977 -1.221 1.00 15.53 H new ATOM 0 HD11 ILE A 66 13.604 5.849 -0.130 1.00 2.22 H new ATOM 0 HD12 ILE A 66 15.046 4.848 -0.422 1.00 2.22 H new ATOM 0 HD13 ILE A 66 13.603 4.649 -1.445 1.00 2.22 H new ATOM 1101 N LEU A 67 15.087 -0.282 0.841 1.00 61.30 N ATOM 1102 CA LEU A 67 15.615 -1.599 0.455 1.00 62.52 C ATOM 1103 C LEU A 67 15.214 -2.692 1.462 1.00 15.01 C ATOM 1104 O LEU A 67 15.009 -3.849 1.087 1.00 5.01 O ATOM 1105 CB LEU A 67 17.149 -1.541 0.267 1.00 30.52 C ATOM 1106 CG LEU A 67 17.982 -1.017 1.461 1.00 61.31 C ATOM 1107 CD1 LEU A 67 18.198 -2.097 2.522 1.00 74.10 C ATOM 1108 CD2 LEU A 67 19.323 -0.470 0.978 1.00 62.31 C ATOM 0 H LEU A 67 15.802 0.408 1.071 1.00 61.30 H new ATOM 0 HA LEU A 67 15.167 -1.867 -0.502 1.00 62.52 H new ATOM 0 HB2 LEU A 67 17.499 -2.544 0.024 1.00 30.52 H new ATOM 0 HB3 LEU A 67 17.361 -0.911 -0.597 1.00 30.52 H new ATOM 0 HG LEU A 67 17.416 -0.209 1.925 1.00 61.31 H new ATOM 0 HD11 LEU A 67 18.787 -1.688 3.343 1.00 74.10 H new ATOM 0 HD12 LEU A 67 17.233 -2.433 2.901 1.00 74.10 H new ATOM 0 HD13 LEU A 67 18.728 -2.941 2.080 1.00 74.10 H new ATOM 0 HD21 LEU A 67 19.896 -0.106 1.831 1.00 62.31 H new ATOM 0 HD22 LEU A 67 19.880 -1.262 0.478 1.00 62.31 H new ATOM 0 HD23 LEU A 67 19.152 0.349 0.280 1.00 62.31 H new ATOM 1120 N LEU A 68 15.093 -2.311 2.735 1.00 10.04 N ATOM 1121 CA LEU A 68 14.655 -3.228 3.797 1.00 52.33 C ATOM 1122 C LEU A 68 13.308 -3.879 3.453 1.00 41.24 C ATOM 1123 O LEU A 68 13.200 -5.107 3.346 1.00 63.14 O ATOM 1124 CB LEU A 68 14.544 -2.466 5.129 1.00 44.25 C ATOM 1125 CG LEU A 68 13.793 -3.196 6.259 1.00 20.13 C ATOM 1126 CD1 LEU A 68 14.476 -4.516 6.616 1.00 71.34 C ATOM 1127 CD2 LEU A 68 13.673 -2.297 7.489 1.00 21.14 C ATOM 0 H LEU A 68 15.294 -1.365 3.061 1.00 10.04 H new ATOM 0 HA LEU A 68 15.398 -4.020 3.889 1.00 52.33 H new ATOM 0 HB2 LEU A 68 15.550 -2.234 5.478 1.00 44.25 H new ATOM 0 HB3 LEU A 68 14.045 -1.515 4.941 1.00 44.25 H new ATOM 0 HG LEU A 68 12.790 -3.429 5.902 1.00 20.13 H new ATOM 0 HD11 LEU A 68 13.923 -5.007 7.416 1.00 71.34 H new ATOM 0 HD12 LEU A 68 14.498 -5.163 5.739 1.00 71.34 H new ATOM 0 HD13 LEU A 68 15.496 -4.320 6.947 1.00 71.34 H new ATOM 0 HD21 LEU A 68 13.140 -2.828 8.277 1.00 21.14 H new ATOM 0 HD22 LEU A 68 14.669 -2.028 7.842 1.00 21.14 H new ATOM 0 HD23 LEU A 68 13.125 -1.392 7.226 1.00 21.14 H new ATOM 1139 N PHE A 69 12.284 -3.051 3.277 1.00 71.13 N ATOM 1140 CA PHE A 69 10.942 -3.538 2.969 1.00 23.24 C ATOM 1141 C PHE A 69 10.817 -4.025 1.518 1.00 24.24 C ATOM 1142 O PHE A 69 10.109 -4.993 1.249 1.00 14.30 O ATOM 1143 CB PHE A 69 9.911 -2.449 3.281 1.00 24.01 C ATOM 1144 CG PHE A 69 9.578 -2.362 4.750 1.00 62.21 C ATOM 1145 CD1 PHE A 69 10.320 -1.563 5.607 1.00 44.45 C ATOM 1146 CD2 PHE A 69 8.529 -3.102 5.275 1.00 53.45 C ATOM 1147 CE1 PHE A 69 10.020 -1.503 6.954 1.00 13.42 C ATOM 1148 CE2 PHE A 69 8.223 -3.045 6.619 1.00 65.40 C ATOM 1149 CZ PHE A 69 8.970 -2.246 7.460 1.00 13.43 C ATOM 0 H PHE A 69 12.357 -2.036 3.342 1.00 71.13 H new ATOM 0 HA PHE A 69 10.746 -4.404 3.601 1.00 23.24 H new ATOM 0 HB2 PHE A 69 10.293 -1.486 2.942 1.00 24.01 H new ATOM 0 HB3 PHE A 69 8.999 -2.646 2.718 1.00 24.01 H new ATOM 0 HD1 PHE A 69 11.142 -0.981 5.217 1.00 44.45 H new ATOM 0 HD2 PHE A 69 7.943 -3.732 4.622 1.00 53.45 H new ATOM 0 HE1 PHE A 69 10.605 -0.876 7.611 1.00 13.42 H new ATOM 0 HE2 PHE A 69 7.401 -3.624 7.012 1.00 65.40 H new ATOM 0 HZ PHE A 69 8.734 -2.201 8.513 1.00 13.43 H new ATOM 1159 N ARG A 70 11.517 -3.373 0.591 1.00 42.53 N ATOM 1160 CA ARG A 70 11.504 -3.797 -0.817 1.00 61.04 C ATOM 1161 C ARG A 70 11.921 -5.273 -0.950 1.00 24.24 C ATOM 1162 O ARG A 70 11.296 -6.043 -1.677 1.00 33.05 O ATOM 1163 CB ARG A 70 12.430 -2.888 -1.651 1.00 54.35 C ATOM 1164 CG ARG A 70 12.377 -3.114 -3.169 1.00 23.10 C ATOM 1165 CD ARG A 70 13.275 -4.263 -3.634 1.00 52.43 C ATOM 1166 NE ARG A 70 14.687 -4.007 -3.345 1.00 20.02 N ATOM 1167 CZ ARG A 70 15.580 -4.943 -3.147 1.00 25.22 C ATOM 1168 NH1 ARG A 70 15.248 -6.194 -3.202 1.00 32.31 N ATOM 1169 NH2 ARG A 70 16.809 -4.615 -2.911 1.00 21.13 N ATOM 0 H ARG A 70 12.097 -2.556 0.782 1.00 42.53 H new ATOM 0 HA ARG A 70 10.487 -3.703 -1.199 1.00 61.04 H new ATOM 0 HB2 ARG A 70 12.173 -1.849 -1.446 1.00 54.35 H new ATOM 0 HB3 ARG A 70 13.456 -3.035 -1.314 1.00 54.35 H new ATOM 0 HG2 ARG A 70 11.348 -3.322 -3.464 1.00 23.10 H new ATOM 0 HG3 ARG A 70 12.676 -2.198 -3.678 1.00 23.10 H new ATOM 0 HD2 ARG A 70 12.966 -5.186 -3.143 1.00 52.43 H new ATOM 0 HD3 ARG A 70 13.146 -4.413 -4.706 1.00 52.43 H new ATOM 0 HE ARG A 70 14.995 -3.036 -3.295 1.00 20.02 H new ATOM 0 HH11 ARG A 70 14.283 -6.457 -3.401 1.00 32.31 H new ATOM 0 HH12 ARG A 70 15.952 -6.916 -3.046 1.00 32.31 H new ATOM 0 HH21 ARG A 70 17.077 -3.631 -2.880 1.00 21.13 H new ATOM 0 HH22 ARG A 70 17.510 -5.340 -2.756 1.00 21.13 H new ATOM 1183 N ASP A 71 12.968 -5.656 -0.223 1.00 23.11 N ATOM 1184 CA ASP A 71 13.491 -7.027 -0.253 1.00 1.33 C ATOM 1185 C ASP A 71 12.464 -8.065 0.261 1.00 54.35 C ATOM 1186 O ASP A 71 12.563 -9.255 -0.046 1.00 44.14 O ATOM 1187 CB ASP A 71 14.783 -7.085 0.575 1.00 54.44 C ATOM 1188 CG ASP A 71 15.334 -8.492 0.717 1.00 24.43 C ATOM 1189 OD1 ASP A 71 15.933 -9.007 -0.250 1.00 31.20 O ATOM 1190 OD2 ASP A 71 15.160 -9.096 1.796 1.00 41.52 O ATOM 0 H ASP A 71 13.478 -5.031 0.402 1.00 23.11 H new ATOM 0 HA ASP A 71 13.699 -7.290 -1.290 1.00 1.33 H new ATOM 0 HB2 ASP A 71 15.536 -6.451 0.107 1.00 54.44 H new ATOM 0 HB3 ASP A 71 14.591 -6.674 1.566 1.00 54.44 H new ATOM 1195 N ARG A 72 11.481 -7.612 1.037 1.00 25.34 N ATOM 1196 CA ARG A 72 10.468 -8.515 1.612 1.00 5.22 C ATOM 1197 C ARG A 72 9.044 -8.168 1.139 1.00 63.42 C ATOM 1198 O ARG A 72 8.063 -8.719 1.645 1.00 23.40 O ATOM 1199 CB ARG A 72 10.543 -8.479 3.149 1.00 63.44 C ATOM 1200 CG ARG A 72 10.458 -7.073 3.738 1.00 54.21 C ATOM 1201 CD ARG A 72 10.505 -7.080 5.265 1.00 53.13 C ATOM 1202 NE ARG A 72 9.317 -7.695 5.860 1.00 24.35 N ATOM 1203 CZ ARG A 72 9.130 -7.838 7.147 1.00 21.45 C ATOM 1204 NH1 ARG A 72 10.037 -7.462 7.995 1.00 1.34 N ATOM 1205 NH2 ARG A 72 8.038 -8.378 7.581 1.00 25.02 N ATOM 0 H ARG A 72 11.359 -6.630 1.285 1.00 25.34 H new ATOM 0 HA ARG A 72 10.689 -9.523 1.260 1.00 5.22 H new ATOM 0 HB2 ARG A 72 9.733 -9.083 3.557 1.00 63.44 H new ATOM 0 HB3 ARG A 72 11.477 -8.941 3.469 1.00 63.44 H new ATOM 0 HG2 ARG A 72 11.281 -6.470 3.354 1.00 54.21 H new ATOM 0 HG3 ARG A 72 9.534 -6.598 3.407 1.00 54.21 H new ATOM 0 HD2 ARG A 72 11.393 -7.619 5.595 1.00 53.13 H new ATOM 0 HD3 ARG A 72 10.600 -6.056 5.627 1.00 53.13 H new ATOM 0 HE ARG A 72 8.589 -8.034 5.231 1.00 24.35 H new ATOM 0 HH11 ARG A 72 10.908 -7.049 7.661 1.00 1.34 H new ATOM 0 HH12 ARG A 72 9.879 -7.579 8.996 1.00 1.34 H new ATOM 0 HH21 ARG A 72 7.326 -8.691 6.921 1.00 25.02 H new ATOM 0 HH22 ARG A 72 7.889 -8.491 8.584 1.00 25.02 H new ATOM 1219 N PHE A 73 8.933 -7.265 0.163 1.00 75.40 N ATOM 1220 CA PHE A 73 7.624 -6.841 -0.360 1.00 40.54 C ATOM 1221 C PHE A 73 7.640 -6.607 -1.880 1.00 13.41 C ATOM 1222 O PHE A 73 6.696 -6.047 -2.441 1.00 63.24 O ATOM 1223 CB PHE A 73 7.159 -5.562 0.341 1.00 32.22 C ATOM 1224 CG PHE A 73 6.534 -5.797 1.698 1.00 14.15 C ATOM 1225 CD1 PHE A 73 5.209 -6.196 1.805 1.00 0.20 C ATOM 1226 CD2 PHE A 73 7.267 -5.624 2.864 1.00 73.20 C ATOM 1227 CE1 PHE A 73 4.630 -6.417 3.039 1.00 54.31 C ATOM 1228 CE2 PHE A 73 6.691 -5.845 4.102 1.00 11.23 C ATOM 1229 CZ PHE A 73 5.372 -6.242 4.189 1.00 34.34 C ATOM 0 H PHE A 73 9.730 -6.811 -0.284 1.00 75.40 H new ATOM 0 HA PHE A 73 6.930 -7.656 -0.156 1.00 40.54 H new ATOM 0 HB2 PHE A 73 8.011 -4.892 0.456 1.00 32.22 H new ATOM 0 HB3 PHE A 73 6.437 -5.052 -0.297 1.00 32.22 H new ATOM 0 HD1 PHE A 73 4.622 -6.336 0.909 1.00 0.20 H new ATOM 0 HD2 PHE A 73 8.300 -5.313 2.804 1.00 73.20 H new ATOM 0 HE1 PHE A 73 3.597 -6.727 3.104 1.00 54.31 H new ATOM 0 HE2 PHE A 73 7.274 -5.707 5.001 1.00 11.23 H new ATOM 0 HZ PHE A 73 4.922 -6.415 5.155 1.00 34.34 H new ATOM 1239 N ASP A 74 8.696 -7.051 -2.545 1.00 35.45 N ATOM 1240 CA ASP A 74 8.832 -6.881 -4.003 1.00 64.43 C ATOM 1241 C ASP A 74 7.850 -7.771 -4.799 1.00 42.34 C ATOM 1242 O ASP A 74 7.972 -7.910 -6.018 1.00 54.31 O ATOM 1243 CB ASP A 74 10.279 -7.172 -4.433 1.00 71.31 C ATOM 1244 CG ASP A 74 10.683 -8.617 -4.202 1.00 24.21 C ATOM 1245 OD1 ASP A 74 10.944 -8.990 -3.040 1.00 31.30 O ATOM 1246 OD2 ASP A 74 10.748 -9.387 -5.186 1.00 23.40 O ATOM 0 H ASP A 74 9.479 -7.535 -2.106 1.00 35.45 H new ATOM 0 HA ASP A 74 8.580 -5.845 -4.232 1.00 64.43 H new ATOM 0 HB2 ASP A 74 10.394 -6.932 -5.490 1.00 71.31 H new ATOM 0 HB3 ASP A 74 10.955 -6.518 -3.882 1.00 71.31 H new ATOM 1251 N GLY A 75 6.872 -8.359 -4.110 1.00 74.11 N ATOM 1252 CA GLY A 75 5.873 -9.194 -4.767 1.00 71.11 C ATOM 1253 C GLY A 75 5.308 -10.273 -3.850 1.00 1.21 C ATOM 1254 O GLY A 75 5.703 -11.440 -3.932 1.00 73.24 O ATOM 0 H GLY A 75 6.752 -8.272 -3.101 1.00 74.11 H new ATOM 0 HA2 GLY A 75 5.058 -8.564 -5.124 1.00 71.11 H new ATOM 0 HA3 GLY A 75 6.319 -9.665 -5.643 1.00 71.11 H new ATOM 1258 N TYR A 76 4.386 -9.894 -2.967 1.00 3.24 N ATOM 1259 CA TYR A 76 3.789 -10.857 -2.029 1.00 74.43 C ATOM 1260 C TYR A 76 2.305 -11.107 -2.350 1.00 44.42 C ATOM 1261 O TYR A 76 1.653 -10.290 -3.003 1.00 61.13 O ATOM 1262 CB TYR A 76 3.955 -10.381 -0.572 1.00 43.11 C ATOM 1263 CG TYR A 76 2.973 -9.306 -0.125 1.00 62.51 C ATOM 1264 CD1 TYR A 76 3.177 -7.963 -0.430 1.00 14.22 C ATOM 1265 CD2 TYR A 76 1.841 -9.641 0.615 1.00 54.00 C ATOM 1266 CE1 TYR A 76 2.283 -6.993 -0.008 1.00 34.45 C ATOM 1267 CE2 TYR A 76 0.948 -8.675 1.034 1.00 13.54 C ATOM 1268 CZ TYR A 76 1.173 -7.356 0.719 1.00 14.32 C ATOM 1269 OH TYR A 76 0.282 -6.393 1.132 1.00 73.10 O ATOM 0 H TYR A 76 4.036 -8.940 -2.877 1.00 3.24 H new ATOM 0 HA TYR A 76 4.321 -11.801 -2.145 1.00 74.43 H new ATOM 0 HB2 TYR A 76 3.852 -11.242 0.089 1.00 43.11 H new ATOM 0 HB3 TYR A 76 4.968 -10.001 -0.444 1.00 43.11 H new ATOM 0 HD1 TYR A 76 4.045 -7.673 -1.004 1.00 14.22 H new ATOM 0 HD2 TYR A 76 1.659 -10.676 0.866 1.00 54.00 H new ATOM 0 HE1 TYR A 76 2.457 -5.955 -0.249 1.00 34.45 H new ATOM 0 HE2 TYR A 76 0.076 -8.955 1.607 1.00 13.54 H new ATOM 0 HH TYR A 76 -0.628 -6.663 0.889 1.00 73.10 H new ATOM 1279 N ILE A 77 1.785 -12.245 -1.889 1.00 74.21 N ATOM 1280 CA ILE A 77 0.380 -12.615 -2.113 1.00 43.22 C ATOM 1281 C ILE A 77 -0.421 -12.588 -0.799 1.00 24.52 C ATOM 1282 O ILE A 77 -0.229 -13.436 0.074 1.00 21.41 O ATOM 1283 CB ILE A 77 0.265 -14.031 -2.745 1.00 43.33 C ATOM 1284 CG1 ILE A 77 0.969 -14.081 -4.113 1.00 13.30 C ATOM 1285 CG2 ILE A 77 -1.199 -14.454 -2.878 1.00 64.35 C ATOM 1286 CD1 ILE A 77 0.327 -13.212 -5.175 1.00 4.45 C ATOM 0 H ILE A 77 2.316 -12.933 -1.355 1.00 74.21 H new ATOM 0 HA ILE A 77 -0.035 -11.879 -2.801 1.00 43.22 H new ATOM 0 HB ILE A 77 0.763 -14.735 -2.079 1.00 43.33 H new ATOM 0 HG12 ILE A 77 2.007 -13.773 -3.986 1.00 13.30 H new ATOM 0 HG13 ILE A 77 0.983 -15.113 -4.464 1.00 13.30 H new ATOM 0 HG21 ILE A 77 -1.252 -15.448 -3.323 1.00 64.35 H new ATOM 0 HG22 ILE A 77 -1.663 -14.473 -1.892 1.00 64.35 H new ATOM 0 HG23 ILE A 77 -1.727 -13.743 -3.514 1.00 64.35 H new ATOM 0 HD11 ILE A 77 0.884 -13.305 -6.107 1.00 4.45 H new ATOM 0 HD12 ILE A 77 -0.703 -13.533 -5.334 1.00 4.45 H new ATOM 0 HD13 ILE A 77 0.337 -12.172 -4.849 1.00 4.45 H new ATOM 1298 N PHE A 78 -1.313 -11.608 -0.659 1.00 65.11 N ATOM 1299 CA PHE A 78 -2.175 -11.512 0.527 1.00 33.21 C ATOM 1300 C PHE A 78 -3.505 -12.251 0.304 1.00 1.25 C ATOM 1301 O PHE A 78 -4.260 -11.927 -0.611 1.00 41.25 O ATOM 1302 CB PHE A 78 -2.449 -10.041 0.880 1.00 52.52 C ATOM 1303 CG PHE A 78 -3.240 -9.865 2.158 1.00 42.53 C ATOM 1304 CD1 PHE A 78 -2.605 -9.909 3.392 1.00 35.51 C ATOM 1305 CD2 PHE A 78 -4.614 -9.667 2.124 1.00 34.53 C ATOM 1306 CE1 PHE A 78 -3.323 -9.757 4.564 1.00 53.44 C ATOM 1307 CE2 PHE A 78 -5.335 -9.515 3.293 1.00 32.33 C ATOM 1308 CZ PHE A 78 -4.690 -9.561 4.514 1.00 1.21 C ATOM 0 H PHE A 78 -1.460 -10.870 -1.347 1.00 65.11 H new ATOM 0 HA PHE A 78 -1.650 -11.984 1.358 1.00 33.21 H new ATOM 0 HB2 PHE A 78 -1.499 -9.515 0.975 1.00 52.52 H new ATOM 0 HB3 PHE A 78 -2.992 -9.573 0.059 1.00 52.52 H new ATOM 0 HD1 PHE A 78 -1.537 -10.064 3.437 1.00 35.51 H new ATOM 0 HD2 PHE A 78 -5.125 -9.631 1.173 1.00 34.53 H new ATOM 0 HE1 PHE A 78 -2.816 -9.791 5.517 1.00 53.44 H new ATOM 0 HE2 PHE A 78 -6.403 -9.360 3.252 1.00 32.33 H new ATOM 0 HZ PHE A 78 -5.253 -9.444 5.428 1.00 1.21 H new ATOM 1318 N LEU A 79 -3.784 -13.241 1.146 1.00 74.41 N ATOM 1319 CA LEU A 79 -5.026 -14.016 1.051 1.00 33.05 C ATOM 1320 C LEU A 79 -6.162 -13.385 1.873 1.00 54.24 C ATOM 1321 O LEU A 79 -6.085 -13.288 3.099 1.00 72.11 O ATOM 1322 CB LEU A 79 -4.773 -15.459 1.503 1.00 54.22 C ATOM 1323 CG LEU A 79 -3.929 -16.299 0.531 1.00 52.45 C ATOM 1324 CD1 LEU A 79 -3.431 -17.574 1.205 1.00 30.40 C ATOM 1325 CD2 LEU A 79 -4.737 -16.636 -0.719 1.00 24.12 C ATOM 0 H LEU A 79 -3.168 -13.530 1.906 1.00 74.41 H new ATOM 0 HA LEU A 79 -5.344 -14.013 0.008 1.00 33.05 H new ATOM 0 HB2 LEU A 79 -4.274 -15.439 2.472 1.00 54.22 H new ATOM 0 HB3 LEU A 79 -5.734 -15.953 1.649 1.00 54.22 H new ATOM 0 HG LEU A 79 -3.060 -15.710 0.236 1.00 52.45 H new ATOM 0 HD11 LEU A 79 -2.836 -18.151 0.497 1.00 30.40 H new ATOM 0 HD12 LEU A 79 -2.817 -17.314 2.067 1.00 30.40 H new ATOM 0 HD13 LEU A 79 -4.283 -18.169 1.533 1.00 30.40 H new ATOM 0 HD21 LEU A 79 -4.126 -17.231 -1.398 1.00 24.12 H new ATOM 0 HD22 LEU A 79 -5.624 -17.204 -0.437 1.00 24.12 H new ATOM 0 HD23 LEU A 79 -5.039 -15.714 -1.216 1.00 24.12 H new ATOM 1337 N ASP A 80 -7.210 -12.952 1.175 1.00 23.45 N ATOM 1338 CA ASP A 80 -8.393 -12.347 1.801 1.00 3.01 C ATOM 1339 C ASP A 80 -9.145 -13.353 2.693 1.00 4.43 C ATOM 1340 O ASP A 80 -8.858 -14.551 2.680 1.00 2.44 O ATOM 1341 CB ASP A 80 -9.324 -11.838 0.695 1.00 43.24 C ATOM 1342 CG ASP A 80 -10.451 -10.969 1.220 1.00 23.44 C ATOM 1343 OD1 ASP A 80 -10.244 -9.747 1.367 1.00 11.04 O ATOM 1344 OD2 ASP A 80 -11.537 -11.509 1.501 1.00 73.42 O ATOM 0 H ASP A 80 -7.267 -13.009 0.158 1.00 23.45 H new ATOM 0 HA ASP A 80 -8.068 -11.525 2.439 1.00 3.01 H new ATOM 0 HB2 ASP A 80 -8.741 -11.269 -0.029 1.00 43.24 H new ATOM 0 HB3 ASP A 80 -9.747 -12.690 0.164 1.00 43.24 H new ATOM 1349 N SER A 81 -10.120 -12.863 3.458 1.00 62.21 N ATOM 1350 CA SER A 81 -10.998 -13.732 4.252 1.00 45.33 C ATOM 1351 C SER A 81 -11.779 -14.692 3.340 1.00 13.11 C ATOM 1352 O SER A 81 -12.143 -15.798 3.741 1.00 63.35 O ATOM 1353 CB SER A 81 -11.980 -12.892 5.081 1.00 20.45 C ATOM 1354 OG SER A 81 -11.294 -12.017 5.966 1.00 21.13 O ATOM 0 H SER A 81 -10.325 -11.868 3.547 1.00 62.21 H new ATOM 0 HA SER A 81 -10.373 -14.317 4.927 1.00 45.33 H new ATOM 0 HB2 SER A 81 -12.618 -12.311 4.414 1.00 20.45 H new ATOM 0 HB3 SER A 81 -12.633 -13.551 5.652 1.00 20.45 H new ATOM 0 HG SER A 81 -11.945 -11.494 6.479 1.00 21.13 H new ATOM 1360 N LYS A 82 -12.036 -14.252 2.108 1.00 40.32 N ATOM 1361 CA LYS A 82 -12.690 -15.086 1.090 1.00 70.12 C ATOM 1362 C LYS A 82 -11.689 -16.042 0.418 1.00 64.33 C ATOM 1363 O LYS A 82 -12.076 -16.909 -0.367 1.00 71.53 O ATOM 1364 CB LYS A 82 -13.339 -14.201 0.013 1.00 52.44 C ATOM 1365 CG LYS A 82 -14.368 -13.206 0.546 1.00 2.20 C ATOM 1366 CD LYS A 82 -15.548 -13.902 1.218 1.00 43.42 C ATOM 1367 CE LYS A 82 -16.640 -12.911 1.604 1.00 15.23 C ATOM 1368 NZ LYS A 82 -17.278 -12.278 0.413 1.00 4.13 N ATOM 0 H LYS A 82 -11.800 -13.314 1.785 1.00 40.32 H new ATOM 0 HA LYS A 82 -13.454 -15.678 1.594 1.00 70.12 H new ATOM 0 HB2 LYS A 82 -12.555 -13.650 -0.507 1.00 52.44 H new ATOM 0 HB3 LYS A 82 -13.821 -14.843 -0.725 1.00 52.44 H new ATOM 0 HG2 LYS A 82 -13.888 -12.537 1.260 1.00 2.20 H new ATOM 0 HG3 LYS A 82 -14.732 -12.588 -0.275 1.00 2.20 H new ATOM 0 HD2 LYS A 82 -15.960 -14.653 0.544 1.00 43.42 H new ATOM 0 HD3 LYS A 82 -15.202 -14.428 2.108 1.00 43.42 H new ATOM 0 HE2 LYS A 82 -17.402 -13.424 2.192 1.00 15.23 H new ATOM 0 HE3 LYS A 82 -16.215 -12.135 2.241 1.00 15.23 H new ATOM 0 HZ1 LYS A 82 -17.465 -11.274 0.612 1.00 4.13 H new ATOM 0 HZ2 LYS A 82 -16.641 -12.356 -0.405 1.00 4.13 H new ATOM 0 HZ3 LYS A 82 -18.174 -12.762 0.201 1.00 4.13 H new ATOM 1382 N GLY A 83 -10.406 -15.870 0.728 1.00 0.42 N ATOM 1383 CA GLY A 83 -9.356 -16.674 0.106 1.00 34.44 C ATOM 1384 C GLY A 83 -8.809 -16.052 -1.177 1.00 2.50 C ATOM 1385 O GLY A 83 -8.035 -16.680 -1.900 1.00 62.34 O ATOM 0 H GLY A 83 -10.069 -15.184 1.403 1.00 0.42 H new ATOM 0 HA2 GLY A 83 -8.539 -16.807 0.816 1.00 34.44 H new ATOM 0 HA3 GLY A 83 -9.749 -17.666 -0.117 1.00 34.44 H new ATOM 1389 N LEU A 84 -9.204 -14.808 -1.452 1.00 53.01 N ATOM 1390 CA LEU A 84 -8.781 -14.106 -2.672 1.00 43.42 C ATOM 1391 C LEU A 84 -7.290 -13.728 -2.622 1.00 43.32 C ATOM 1392 O LEU A 84 -6.842 -13.034 -1.710 1.00 14.51 O ATOM 1393 CB LEU A 84 -9.633 -12.844 -2.879 1.00 74.41 C ATOM 1394 CG LEU A 84 -11.147 -13.084 -3.022 1.00 25.35 C ATOM 1395 CD1 LEU A 84 -11.896 -11.758 -3.147 1.00 54.52 C ATOM 1396 CD2 LEU A 84 -11.444 -13.983 -4.220 1.00 61.11 C ATOM 0 H LEU A 84 -9.818 -14.262 -0.847 1.00 53.01 H new ATOM 0 HA LEU A 84 -8.927 -14.786 -3.512 1.00 43.42 H new ATOM 0 HB2 LEU A 84 -9.467 -12.172 -2.037 1.00 74.41 H new ATOM 0 HB3 LEU A 84 -9.278 -12.329 -3.772 1.00 74.41 H new ATOM 0 HG LEU A 84 -11.495 -13.590 -2.122 1.00 25.35 H new ATOM 0 HD11 LEU A 84 -12.964 -11.951 -3.247 1.00 54.52 H new ATOM 0 HD12 LEU A 84 -11.718 -11.154 -2.257 1.00 54.52 H new ATOM 0 HD13 LEU A 84 -11.541 -11.221 -4.026 1.00 54.52 H new ATOM 0 HD21 LEU A 84 -12.520 -14.138 -4.301 1.00 61.11 H new ATOM 0 HD22 LEU A 84 -11.077 -13.509 -5.130 1.00 61.11 H new ATOM 0 HD23 LEU A 84 -10.948 -14.944 -4.085 1.00 61.11 H new ATOM 1408 N GLU A 85 -6.532 -14.197 -3.611 1.00 33.11 N ATOM 1409 CA GLU A 85 -5.095 -13.910 -3.712 1.00 74.12 C ATOM 1410 C GLU A 85 -4.837 -12.497 -4.257 1.00 12.43 C ATOM 1411 O GLU A 85 -5.045 -12.232 -5.444 1.00 12.13 O ATOM 1412 CB GLU A 85 -4.427 -14.933 -4.639 1.00 70.21 C ATOM 1413 CG GLU A 85 -4.711 -16.379 -4.268 1.00 32.34 C ATOM 1414 CD GLU A 85 -4.169 -17.357 -5.292 1.00 5.00 C ATOM 1415 OE1 GLU A 85 -4.856 -17.602 -6.308 1.00 42.24 O ATOM 1416 OE2 GLU A 85 -3.054 -17.884 -5.088 1.00 2.30 O ATOM 0 H GLU A 85 -6.891 -14.784 -4.364 1.00 33.11 H new ATOM 0 HA GLU A 85 -4.673 -13.975 -2.709 1.00 74.12 H new ATOM 0 HB2 GLU A 85 -4.764 -14.757 -5.660 1.00 70.21 H new ATOM 0 HB3 GLU A 85 -3.349 -14.770 -4.627 1.00 70.21 H new ATOM 0 HG2 GLU A 85 -4.270 -16.595 -3.295 1.00 32.34 H new ATOM 0 HG3 GLU A 85 -5.787 -16.521 -4.169 1.00 32.34 H new ATOM 1423 N TYR A 86 -4.390 -11.592 -3.394 1.00 65.52 N ATOM 1424 CA TYR A 86 -4.031 -10.231 -3.817 1.00 34.44 C ATOM 1425 C TYR A 86 -2.515 -10.089 -4.000 1.00 1.23 C ATOM 1426 O TYR A 86 -1.769 -10.084 -3.017 1.00 74.43 O ATOM 1427 CB TYR A 86 -4.506 -9.194 -2.792 1.00 54.34 C ATOM 1428 CG TYR A 86 -5.988 -9.257 -2.484 1.00 24.44 C ATOM 1429 CD1 TYR A 86 -6.938 -9.225 -3.500 1.00 73.01 C ATOM 1430 CD2 TYR A 86 -6.435 -9.345 -1.174 1.00 23.35 C ATOM 1431 CE1 TYR A 86 -8.288 -9.285 -3.215 1.00 1.21 C ATOM 1432 CE2 TYR A 86 -7.778 -9.403 -0.883 1.00 41.44 C ATOM 1433 CZ TYR A 86 -8.703 -9.373 -1.903 1.00 21.13 C ATOM 1434 OH TYR A 86 -10.047 -9.448 -1.610 1.00 4.40 O ATOM 0 H TYR A 86 -4.265 -11.769 -2.397 1.00 65.52 H new ATOM 0 HA TYR A 86 -4.526 -10.052 -4.771 1.00 34.44 H new ATOM 0 HB2 TYR A 86 -3.948 -9.333 -1.866 1.00 54.34 H new ATOM 0 HB3 TYR A 86 -4.266 -8.197 -3.162 1.00 54.34 H new ATOM 0 HD1 TYR A 86 -6.615 -9.152 -4.528 1.00 73.01 H new ATOM 0 HD2 TYR A 86 -5.716 -9.368 -0.368 1.00 23.35 H new ATOM 0 HE1 TYR A 86 -9.014 -9.263 -4.014 1.00 1.21 H new ATOM 0 HE2 TYR A 86 -8.107 -9.472 0.143 1.00 41.44 H new ATOM 0 HH TYR A 86 -10.191 -9.204 -0.672 1.00 4.40 H new ATOM 1444 N PRO A 87 -2.031 -9.979 -5.253 1.00 74.21 N ATOM 1445 CA PRO A 87 -0.610 -9.723 -5.520 1.00 43.31 C ATOM 1446 C PRO A 87 -0.245 -8.250 -5.279 1.00 5.43 C ATOM 1447 O PRO A 87 -1.032 -7.351 -5.569 1.00 1.24 O ATOM 1448 CB PRO A 87 -0.466 -10.096 -6.999 1.00 73.33 C ATOM 1449 CG PRO A 87 -1.809 -9.820 -7.592 1.00 54.41 C ATOM 1450 CD PRO A 87 -2.818 -10.093 -6.500 1.00 64.15 C ATOM 0 HA PRO A 87 0.054 -10.288 -4.866 1.00 43.31 H new ATOM 0 HB2 PRO A 87 0.310 -9.503 -7.483 1.00 73.33 H new ATOM 0 HB3 PRO A 87 -0.188 -11.143 -7.118 1.00 73.33 H new ATOM 0 HG2 PRO A 87 -1.878 -8.788 -7.936 1.00 54.41 H new ATOM 0 HG3 PRO A 87 -1.990 -10.457 -8.458 1.00 54.41 H new ATOM 0 HD2 PRO A 87 -3.636 -9.374 -6.523 1.00 64.15 H new ATOM 0 HD3 PRO A 87 -3.261 -11.083 -6.604 1.00 64.15 H new ATOM 1458 N ALA A 88 0.943 -8.007 -4.738 1.00 61.12 N ATOM 1459 CA ALA A 88 1.384 -6.638 -4.457 1.00 0.35 C ATOM 1460 C ALA A 88 2.900 -6.482 -4.639 1.00 73.45 C ATOM 1461 O ALA A 88 3.691 -7.124 -3.945 1.00 3.21 O ATOM 1462 CB ALA A 88 0.963 -6.237 -3.051 1.00 44.34 C ATOM 0 H ALA A 88 1.616 -8.730 -4.485 1.00 61.12 H new ATOM 0 HA ALA A 88 0.904 -5.973 -5.175 1.00 0.35 H new ATOM 0 HB1 ALA A 88 1.294 -5.218 -2.849 1.00 44.34 H new ATOM 0 HB2 ALA A 88 -0.123 -6.289 -2.967 1.00 44.34 H new ATOM 0 HB3 ALA A 88 1.416 -6.916 -2.328 1.00 44.34 H new ATOM 1468 N VAL A 89 3.292 -5.627 -5.583 1.00 51.42 N ATOM 1469 CA VAL A 89 4.708 -5.382 -5.886 1.00 44.23 C ATOM 1470 C VAL A 89 5.108 -3.934 -5.553 1.00 71.21 C ATOM 1471 O VAL A 89 4.579 -2.985 -6.136 1.00 45.24 O ATOM 1472 CB VAL A 89 5.017 -5.661 -7.382 1.00 72.35 C ATOM 1473 CG1 VAL A 89 6.490 -5.392 -7.699 1.00 65.24 C ATOM 1474 CG2 VAL A 89 4.634 -7.095 -7.754 1.00 24.44 C ATOM 0 H VAL A 89 2.645 -5.087 -6.157 1.00 51.42 H new ATOM 0 HA VAL A 89 5.288 -6.065 -5.265 1.00 44.23 H new ATOM 0 HB VAL A 89 4.416 -4.979 -7.983 1.00 72.35 H new ATOM 0 HG11 VAL A 89 6.678 -5.595 -8.753 1.00 65.24 H new ATOM 0 HG12 VAL A 89 6.724 -4.350 -7.483 1.00 65.24 H new ATOM 0 HG13 VAL A 89 7.118 -6.039 -7.087 1.00 65.24 H new ATOM 0 HG21 VAL A 89 4.858 -7.270 -8.806 1.00 24.44 H new ATOM 0 HG22 VAL A 89 5.202 -7.794 -7.140 1.00 24.44 H new ATOM 0 HG23 VAL A 89 3.568 -7.244 -7.581 1.00 24.44 H new ATOM 1484 N VAL A 90 6.034 -3.773 -4.611 1.00 42.41 N ATOM 1485 CA VAL A 90 6.537 -2.444 -4.236 1.00 34.14 C ATOM 1486 C VAL A 90 7.593 -1.946 -5.249 1.00 4.12 C ATOM 1487 O VAL A 90 8.500 -2.693 -5.632 1.00 34.15 O ATOM 1488 CB VAL A 90 7.141 -2.466 -2.802 1.00 24.44 C ATOM 1489 CG1 VAL A 90 8.399 -3.329 -2.743 1.00 23.22 C ATOM 1490 CG2 VAL A 90 7.429 -1.054 -2.306 1.00 72.52 C ATOM 0 H VAL A 90 6.454 -4.543 -4.091 1.00 42.41 H new ATOM 0 HA VAL A 90 5.693 -1.754 -4.249 1.00 34.14 H new ATOM 0 HB VAL A 90 6.399 -2.912 -2.140 1.00 24.44 H new ATOM 0 HG11 VAL A 90 8.797 -3.324 -1.728 1.00 23.22 H new ATOM 0 HG12 VAL A 90 8.153 -4.351 -3.031 1.00 23.22 H new ATOM 0 HG13 VAL A 90 9.147 -2.929 -3.428 1.00 23.22 H new ATOM 0 HG21 VAL A 90 7.850 -1.100 -1.302 1.00 72.52 H new ATOM 0 HG22 VAL A 90 8.140 -0.571 -2.976 1.00 72.52 H new ATOM 0 HG23 VAL A 90 6.503 -0.480 -2.285 1.00 72.52 H new ATOM 1500 N GLU A 91 7.476 -0.690 -5.691 1.00 11.41 N ATOM 1501 CA GLU A 91 8.392 -0.150 -6.712 1.00 30.44 C ATOM 1502 C GLU A 91 8.468 1.388 -6.696 1.00 21.13 C ATOM 1503 O GLU A 91 7.509 2.075 -6.342 1.00 5.30 O ATOM 1504 CB GLU A 91 7.962 -0.630 -8.103 1.00 51.05 C ATOM 1505 CG GLU A 91 6.561 -0.184 -8.506 1.00 64.45 C ATOM 1506 CD GLU A 91 6.150 -0.715 -9.866 1.00 35.24 C ATOM 1507 OE1 GLU A 91 6.687 -0.232 -10.883 1.00 54.30 O ATOM 1508 OE2 GLU A 91 5.298 -1.621 -9.927 1.00 40.13 O ATOM 0 H GLU A 91 6.767 -0.032 -5.366 1.00 11.41 H new ATOM 0 HA GLU A 91 9.388 -0.523 -6.473 1.00 30.44 H new ATOM 0 HB2 GLU A 91 8.676 -0.262 -8.840 1.00 51.05 H new ATOM 0 HB3 GLU A 91 8.008 -1.719 -8.131 1.00 51.05 H new ATOM 0 HG2 GLU A 91 5.846 -0.523 -7.756 1.00 64.45 H new ATOM 0 HG3 GLU A 91 6.519 0.905 -8.517 1.00 64.45 H new ATOM 1515 N PHE A 92 9.621 1.916 -7.095 1.00 42.12 N ATOM 1516 CA PHE A 92 9.856 3.366 -7.130 1.00 63.43 C ATOM 1517 C PHE A 92 9.252 4.021 -8.387 1.00 72.42 C ATOM 1518 O PHE A 92 9.173 3.402 -9.451 1.00 3.24 O ATOM 1519 CB PHE A 92 11.370 3.627 -7.061 1.00 20.32 C ATOM 1520 CG PHE A 92 11.779 5.069 -7.274 1.00 41.44 C ATOM 1521 CD1 PHE A 92 11.370 6.063 -6.396 1.00 24.42 C ATOM 1522 CD2 PHE A 92 12.580 5.425 -8.354 1.00 43.31 C ATOM 1523 CE1 PHE A 92 11.751 7.379 -6.590 1.00 5.41 C ATOM 1524 CE2 PHE A 92 12.962 6.739 -8.547 1.00 14.30 C ATOM 1525 CZ PHE A 92 12.549 7.716 -7.665 1.00 44.42 C ATOM 0 H PHE A 92 10.418 1.359 -7.403 1.00 42.12 H new ATOM 0 HA PHE A 92 9.359 3.817 -6.271 1.00 63.43 H new ATOM 0 HB2 PHE A 92 11.736 3.301 -6.088 1.00 20.32 H new ATOM 0 HB3 PHE A 92 11.865 3.010 -7.811 1.00 20.32 H new ATOM 0 HD1 PHE A 92 10.747 5.806 -5.552 1.00 24.42 H new ATOM 0 HD2 PHE A 92 12.907 4.666 -9.049 1.00 43.31 H new ATOM 0 HE1 PHE A 92 11.424 8.143 -5.900 1.00 5.41 H new ATOM 0 HE2 PHE A 92 13.585 7.001 -9.389 1.00 14.30 H new ATOM 0 HZ PHE A 92 12.849 8.742 -7.815 1.00 44.42 H new ATOM 1535 N ALA A 93 8.815 5.277 -8.250 1.00 71.03 N ATOM 1536 CA ALA A 93 8.310 6.055 -9.388 1.00 51.30 C ATOM 1537 C ALA A 93 9.473 6.650 -10.208 1.00 31.04 C ATOM 1538 O ALA A 93 10.221 7.488 -9.702 1.00 71.11 O ATOM 1539 CB ALA A 93 7.383 7.161 -8.895 1.00 24.30 C ATOM 0 H ALA A 93 8.800 5.778 -7.362 1.00 71.03 H new ATOM 0 HA ALA A 93 7.747 5.387 -10.040 1.00 51.30 H new ATOM 0 HB1 ALA A 93 7.014 7.733 -9.746 1.00 24.30 H new ATOM 0 HB2 ALA A 93 6.541 6.719 -8.362 1.00 24.30 H new ATOM 0 HB3 ALA A 93 7.931 7.823 -8.224 1.00 24.30 H new ATOM 1545 N PRO A 94 9.625 6.240 -11.489 1.00 54.15 N ATOM 1546 CA PRO A 94 10.783 6.616 -12.333 1.00 12.02 C ATOM 1547 C PRO A 94 11.110 8.126 -12.328 1.00 75.43 C ATOM 1548 O PRO A 94 10.241 8.970 -12.567 1.00 64.44 O ATOM 1549 CB PRO A 94 10.369 6.154 -13.747 1.00 72.41 C ATOM 1550 CG PRO A 94 8.915 5.807 -13.652 1.00 12.03 C ATOM 1551 CD PRO A 94 8.682 5.387 -12.228 1.00 43.24 C ATOM 0 HA PRO A 94 11.697 6.153 -11.959 1.00 12.02 H new ATOM 0 HB2 PRO A 94 10.536 6.943 -14.481 1.00 72.41 H new ATOM 0 HB3 PRO A 94 10.957 5.293 -14.065 1.00 72.41 H new ATOM 0 HG2 PRO A 94 8.292 6.662 -13.914 1.00 12.03 H new ATOM 0 HG3 PRO A 94 8.660 5.003 -14.343 1.00 12.03 H new ATOM 0 HD2 PRO A 94 7.651 5.557 -11.918 1.00 43.24 H new ATOM 0 HD3 PRO A 94 8.889 4.327 -12.078 1.00 43.24 H new ATOM 1559 N PHE A 95 12.375 8.452 -12.047 1.00 42.04 N ATOM 1560 CA PHE A 95 12.860 9.841 -12.056 1.00 50.22 C ATOM 1561 C PHE A 95 13.518 10.180 -13.406 1.00 1.34 C ATOM 1562 O PHE A 95 14.219 9.347 -13.987 1.00 25.11 O ATOM 1563 CB PHE A 95 13.865 10.046 -10.908 1.00 40.41 C ATOM 1564 CG PHE A 95 14.367 11.467 -10.764 1.00 63.24 C ATOM 1565 CD1 PHE A 95 13.637 12.406 -10.048 1.00 75.53 C ATOM 1566 CD2 PHE A 95 15.572 11.859 -11.339 1.00 71.41 C ATOM 1567 CE1 PHE A 95 14.096 13.704 -9.909 1.00 13.42 C ATOM 1568 CE2 PHE A 95 16.032 13.155 -11.202 1.00 53.24 C ATOM 1569 CZ PHE A 95 15.294 14.078 -10.486 1.00 50.11 C ATOM 0 H PHE A 95 13.091 7.766 -11.808 1.00 42.04 H new ATOM 0 HA PHE A 95 12.011 10.509 -11.915 1.00 50.22 H new ATOM 0 HB2 PHE A 95 13.396 9.742 -9.972 1.00 40.41 H new ATOM 0 HB3 PHE A 95 14.718 9.386 -11.066 1.00 40.41 H new ATOM 0 HD1 PHE A 95 12.700 12.120 -9.594 1.00 75.53 H new ATOM 0 HD2 PHE A 95 16.154 11.142 -11.899 1.00 71.41 H new ATOM 0 HE1 PHE A 95 13.518 14.424 -9.350 1.00 13.42 H new ATOM 0 HE2 PHE A 95 16.968 13.446 -11.655 1.00 53.24 H new ATOM 0 HZ PHE A 95 15.653 15.091 -10.378 1.00 50.11 H new ATOM 1579 N GLN A 96 13.296 11.399 -13.901 1.00 14.12 N ATOM 1580 CA GLN A 96 13.825 11.820 -15.208 1.00 51.11 C ATOM 1581 C GLN A 96 14.420 13.234 -15.173 1.00 51.51 C ATOM 1582 O GLN A 96 13.978 14.101 -14.414 1.00 4.43 O ATOM 1583 CB GLN A 96 12.727 11.740 -16.284 1.00 22.31 C ATOM 1584 CG GLN A 96 12.479 10.328 -16.802 1.00 24.13 C ATOM 1585 CD GLN A 96 13.682 9.771 -17.542 1.00 2.23 C ATOM 1586 OE1 GLN A 96 13.797 9.896 -18.759 1.00 53.40 O ATOM 1587 NE2 GLN A 96 14.609 9.180 -16.817 1.00 75.12 N ATOM 0 H GLN A 96 12.753 12.116 -13.419 1.00 14.12 H new ATOM 0 HA GLN A 96 14.633 11.132 -15.458 1.00 51.11 H new ATOM 0 HB2 GLN A 96 11.798 12.135 -15.873 1.00 22.31 H new ATOM 0 HB3 GLN A 96 13.003 12.381 -17.121 1.00 22.31 H new ATOM 0 HG2 GLN A 96 12.234 9.674 -15.966 1.00 24.13 H new ATOM 0 HG3 GLN A 96 11.615 10.333 -17.467 1.00 24.13 H new ATOM 0 HE21 GLN A 96 14.487 9.090 -15.808 1.00 75.12 H new ATOM 0 HE22 GLN A 96 15.449 8.812 -17.264 1.00 75.12 H new ATOM 1596 N LYS A 97 15.437 13.448 -16.006 1.00 22.22 N ATOM 1597 CA LYS A 97 16.077 14.762 -16.151 1.00 64.30 C ATOM 1598 C LYS A 97 15.171 15.723 -16.956 1.00 74.42 C ATOM 1599 O LYS A 97 14.530 16.612 -16.341 1.00 38.65 O ATOM 1600 CB LYS A 97 17.460 14.590 -16.826 1.00 3.33 C ATOM 1601 CG LYS A 97 18.395 15.804 -16.726 1.00 4.53 C ATOM 1602 CD LYS A 97 18.051 16.903 -17.732 1.00 24.45 C ATOM 1603 CE LYS A 97 18.972 18.114 -17.594 1.00 13.01 C ATOM 1604 NZ LYS A 97 20.383 17.794 -17.942 1.00 11.33 N ATOM 1605 OXT LYS A 97 15.091 15.581 -18.199 1.00 38.65 O ATOM 0 H LYS A 97 15.842 12.723 -16.598 1.00 22.22 H new ATOM 0 HA LYS A 97 16.225 15.204 -15.165 1.00 64.30 H new ATOM 0 HB2 LYS A 97 17.959 13.730 -16.380 1.00 3.33 H new ATOM 0 HB3 LYS A 97 17.305 14.357 -17.880 1.00 3.33 H new ATOM 0 HG2 LYS A 97 18.345 16.213 -15.717 1.00 4.53 H new ATOM 0 HG3 LYS A 97 19.423 15.479 -16.887 1.00 4.53 H new ATOM 0 HD2 LYS A 97 18.125 16.504 -18.744 1.00 24.45 H new ATOM 0 HD3 LYS A 97 17.017 17.216 -17.588 1.00 24.45 H new ATOM 0 HE2 LYS A 97 18.614 18.915 -18.240 1.00 13.01 H new ATOM 0 HE3 LYS A 97 18.928 18.486 -16.570 1.00 13.01 H new ATOM 0 HZ1 LYS A 97 20.946 18.669 -17.948 1.00 11.33 H new ATOM 0 HZ2 LYS A 97 20.774 17.136 -17.238 1.00 11.33 H new ATOM 0 HZ3 LYS A 97 20.417 17.353 -18.883 1.00 11.33 H new TER 1619 LYS A 97