USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 958 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 45 TYR OH : rot 180:sc= -0.602 USER MOD Set 1.2: A 51 ASN : amide:sc= -1.19 K(o=-1.8,f=-3.9!) USER MOD Set 2.1: A 1 MET N :NH3+ -157:sc= 0.334 (180deg=0.18) USER MOD Set 2.2: A 115 TYR OH : rot 92:sc= 0.48 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -80:sc= -0.518 USER MOD Single : A 3 GLN : amide:sc= -1.01 K(o=-1,f=-0.15) USER MOD Single : A 4 ASN : amide:sc= -0.98 K(o=-0.98,f=-3.4!) USER MOD Single : A 6 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.2!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -117:sc= -6.74! (180deg=-14.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.12) USER MOD Single : A 27 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.007) USER MOD Single : A 31 SER OG : rot 7:sc= 0.269 USER MOD Single : A 32 GLN : amide:sc= -2.15 K(o=-2.2,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -63:sc= 1 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc=-0.00973 (180deg=-0.108) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 53 CYS SG : rot 164:sc= 0.0898 USER MOD Single : A 57 THR OG1 : rot -113:sc= 0.593 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -106:sc= 1.07 USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= 0.103 (180deg=-0.933) USER MOD Single : A 83 MET CE :methyl -138:sc= -5.92! (180deg=-11.1!) USER MOD Single : A 85 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.6!) USER MOD Single : A 86 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.9) USER MOD Single : A 87 CYS SG : rot 78:sc= 0.466 USER MOD Single : A 91 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -172:sc= 1.23 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 152:sc= -1.13 (180deg=-2.06) USER MOD Single : A 117 SER OG : rot -153:sc= 0.913 USER MOD Single : A 118 GLN : amide:sc= -1.07 X(o=-1.1,f=-1) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.562 -0.219 0.753 1.00 15.13 N ATOM 2 CA MET A 1 1.073 0.790 -0.167 1.00 74.15 C ATOM 3 C MET A 1 2.312 1.470 0.405 1.00 41.21 C ATOM 4 O MET A 1 2.590 1.371 1.600 1.00 62.31 O ATOM 5 CB MET A 1 -0.006 1.834 -0.463 1.00 43.04 C ATOM 6 CG MET A 1 0.186 2.546 -1.793 1.00 21.31 C ATOM 7 SD MET A 1 -1.370 2.836 -2.656 1.00 11.30 S ATOM 8 CE MET A 1 -0.814 2.859 -4.358 1.00 60.24 C ATOM 0 H1 MET A 1 -0.002 -0.916 0.226 1.00 15.13 H new ATOM 0 H2 MET A 1 1.358 -0.699 1.219 1.00 15.13 H new ATOM 0 H3 MET A 1 -0.035 0.237 1.472 1.00 15.13 H new ATOM 0 HA MET A 1 1.351 0.292 -1.096 1.00 74.15 H new ATOM 0 HB2 MET A 1 -0.982 1.348 -0.458 1.00 43.04 H new ATOM 0 HB3 MET A 1 -0.014 2.573 0.338 1.00 43.04 H new ATOM 0 HG2 MET A 1 0.685 3.500 -1.621 1.00 21.31 H new ATOM 0 HG3 MET A 1 0.844 1.952 -2.427 1.00 21.31 H new ATOM 0 HE1 MET A 1 -1.666 3.029 -5.017 1.00 60.24 H new ATOM 0 HE2 MET A 1 -0.086 3.659 -4.492 1.00 60.24 H new ATOM 0 HE3 MET A 1 -0.352 1.903 -4.603 1.00 60.24 H new ATOM 18 N SER A 2 3.053 2.161 -0.456 1.00 23.24 N ATOM 19 CA SER A 2 4.266 2.854 -0.036 1.00 14.02 C ATOM 20 C SER A 2 3.952 3.899 1.031 1.00 22.42 C ATOM 21 O SER A 2 2.823 3.991 1.511 1.00 54.04 O ATOM 22 CB SER A 2 4.939 3.521 -1.237 1.00 13.32 C ATOM 23 OG SER A 2 4.391 3.049 -2.456 1.00 24.04 O ATOM 0 H SER A 2 2.835 2.256 -1.448 1.00 23.24 H new ATOM 0 HA SER A 2 4.947 2.118 0.390 1.00 14.02 H new ATOM 0 HB2 SER A 2 4.815 4.602 -1.173 1.00 13.32 H new ATOM 0 HB3 SER A 2 6.010 3.321 -1.215 1.00 13.32 H new ATOM 0 HG SER A 2 4.787 2.180 -2.678 1.00 24.04 H new ATOM 29 N GLN A 3 4.961 4.682 1.397 1.00 3.43 N ATOM 30 CA GLN A 3 4.794 5.720 2.408 1.00 61.00 C ATOM 31 C GLN A 3 5.360 7.050 1.921 1.00 15.13 C ATOM 32 O GLN A 3 6.562 7.178 1.694 1.00 54.43 O ATOM 33 CB GLN A 3 5.480 5.307 3.711 1.00 10.14 C ATOM 34 CG GLN A 3 4.665 5.624 4.955 1.00 40.42 C ATOM 35 CD GLN A 3 5.493 6.277 6.044 1.00 12.12 C ATOM 36 OE1 GLN A 3 5.819 5.650 7.052 1.00 32.33 O ATOM 37 NE2 GLN A 3 5.838 7.544 5.847 1.00 10.10 N ATOM 0 H GLN A 3 5.902 4.618 1.009 1.00 3.43 H new ATOM 0 HA GLN A 3 3.727 5.845 2.591 1.00 61.00 H new ATOM 0 HB2 GLN A 3 5.682 4.236 3.682 1.00 10.14 H new ATOM 0 HB3 GLN A 3 6.444 5.811 3.780 1.00 10.14 H new ATOM 0 HG2 GLN A 3 3.840 6.284 4.686 1.00 40.42 H new ATOM 0 HG3 GLN A 3 4.225 4.704 5.341 1.00 40.42 H new ATOM 0 HE21 GLN A 3 5.546 8.026 4.997 1.00 10.10 H new ATOM 0 HE22 GLN A 3 6.395 8.036 6.546 1.00 10.10 H new ATOM 46 N ASN A 4 4.484 8.037 1.763 1.00 11.44 N ATOM 47 CA ASN A 4 4.896 9.358 1.302 1.00 1.35 C ATOM 48 C ASN A 4 5.709 10.079 2.374 1.00 62.14 C ATOM 49 O ASN A 4 5.173 10.876 3.143 1.00 53.31 O ATOM 50 CB ASN A 4 3.672 10.195 0.927 1.00 53.25 C ATOM 51 CG ASN A 4 2.578 10.124 1.975 1.00 25.11 C ATOM 52 OD1 ASN A 4 2.828 9.759 3.124 1.00 30.01 O ATOM 53 ND2 ASN A 4 1.359 10.473 1.583 1.00 52.03 N ATOM 0 H ASN A 4 3.485 7.947 1.947 1.00 11.44 H new ATOM 0 HA ASN A 4 5.523 9.228 0.420 1.00 1.35 H new ATOM 0 HB2 ASN A 4 3.974 11.234 0.791 1.00 53.25 H new ATOM 0 HB3 ASN A 4 3.278 9.849 -0.029 1.00 53.25 H new ATOM 0 HD21 ASN A 4 0.583 10.445 2.244 1.00 52.03 H new ATOM 0 HD22 ASN A 4 1.198 10.769 0.620 1.00 52.03 H new ATOM 60 N ARG A 5 7.006 9.793 2.416 1.00 23.24 N ATOM 61 CA ARG A 5 7.894 10.413 3.393 1.00 34.21 C ATOM 62 C ARG A 5 9.352 10.085 3.088 1.00 62.22 C ATOM 63 O ARG A 5 10.096 10.928 2.588 1.00 53.24 O ATOM 64 CB ARG A 5 7.539 9.944 4.806 1.00 42.14 C ATOM 65 CG ARG A 5 8.390 10.584 5.891 1.00 73.42 C ATOM 66 CD ARG A 5 8.248 9.849 7.215 1.00 41.12 C ATOM 67 NE ARG A 5 7.076 10.293 7.964 1.00 33.32 N ATOM 68 CZ ARG A 5 6.728 9.796 9.146 1.00 75.22 C ATOM 69 NH1 ARG A 5 7.458 8.844 9.710 1.00 43.11 N ATOM 70 NH2 ARG A 5 5.647 10.251 9.766 1.00 15.30 N ATOM 0 H ARG A 5 7.466 9.136 1.785 1.00 23.24 H new ATOM 0 HA ARG A 5 7.763 11.493 3.332 1.00 34.21 H new ATOM 0 HB2 ARG A 5 6.490 10.166 5.001 1.00 42.14 H new ATOM 0 HB3 ARG A 5 7.651 8.861 4.859 1.00 42.14 H new ATOM 0 HG2 ARG A 5 9.436 10.583 5.583 1.00 73.42 H new ATOM 0 HG3 ARG A 5 8.096 11.626 6.018 1.00 73.42 H new ATOM 0 HD2 ARG A 5 8.175 8.778 7.029 1.00 41.12 H new ATOM 0 HD3 ARG A 5 9.144 10.008 7.816 1.00 41.12 H new ATOM 0 HE ARG A 5 6.493 11.025 7.558 1.00 33.32 H new ATOM 0 HH11 ARG A 5 8.290 8.491 9.236 1.00 43.11 H new ATOM 0 HH12 ARG A 5 7.188 8.465 10.618 1.00 43.11 H new ATOM 0 HH21 ARG A 5 5.082 10.983 9.335 1.00 15.30 H new ATOM 0 HH22 ARG A 5 5.381 9.869 10.673 1.00 15.30 H new ATOM 84 N GLN A 6 9.753 8.855 3.393 1.00 22.10 N ATOM 85 CA GLN A 6 11.123 8.417 3.152 1.00 31.32 C ATOM 86 C GLN A 6 11.147 7.043 2.489 1.00 15.44 C ATOM 87 O GLN A 6 10.212 6.255 2.637 1.00 54.13 O ATOM 88 CB GLN A 6 11.906 8.376 4.466 1.00 61.25 C ATOM 89 CG GLN A 6 11.839 7.031 5.172 1.00 44.50 C ATOM 90 CD GLN A 6 10.417 6.589 5.452 1.00 13.55 C ATOM 91 OE1 GLN A 6 9.581 7.384 5.884 1.00 40.41 O ATOM 92 NE2 GLN A 6 10.133 5.315 5.208 1.00 2.42 N ATOM 0 H GLN A 6 9.149 8.145 3.807 1.00 22.10 H new ATOM 0 HA GLN A 6 11.594 9.133 2.479 1.00 31.32 H new ATOM 0 HB2 GLN A 6 12.949 8.620 4.266 1.00 61.25 H new ATOM 0 HB3 GLN A 6 11.521 9.147 5.133 1.00 61.25 H new ATOM 0 HG2 GLN A 6 12.335 6.278 4.559 1.00 44.50 H new ATOM 0 HG3 GLN A 6 12.389 7.090 6.111 1.00 44.50 H new ATOM 0 HE21 GLN A 6 10.856 4.691 4.850 1.00 2.42 H new ATOM 0 HE22 GLN A 6 9.192 4.961 5.378 1.00 2.42 H new ATOM 101 N LEU A 7 12.220 6.763 1.759 1.00 41.11 N ATOM 102 CA LEU A 7 12.366 5.484 1.072 1.00 13.14 C ATOM 103 C LEU A 7 13.486 4.657 1.694 1.00 21.23 C ATOM 104 O LEU A 7 14.633 5.101 1.768 1.00 32.40 O ATOM 105 CB LEU A 7 12.648 5.710 -0.414 1.00 32.00 C ATOM 106 CG LEU A 7 11.448 5.580 -1.352 1.00 75.33 C ATOM 107 CD1 LEU A 7 11.190 4.119 -1.690 1.00 42.42 C ATOM 108 CD2 LEU A 7 10.211 6.210 -0.728 1.00 4.32 C ATOM 0 H LEU A 7 13.002 7.404 1.627 1.00 41.11 H new ATOM 0 HA LEU A 7 11.431 4.934 1.178 1.00 13.14 H new ATOM 0 HB2 LEU A 7 13.072 6.707 -0.535 1.00 32.00 H new ATOM 0 HB3 LEU A 7 13.410 4.998 -0.731 1.00 32.00 H new ATOM 0 HG LEU A 7 11.675 6.112 -2.276 1.00 75.33 H new ATOM 0 HD11 LEU A 7 10.332 4.046 -2.359 1.00 42.42 H new ATOM 0 HD12 LEU A 7 12.068 3.698 -2.179 1.00 42.42 H new ATOM 0 HD13 LEU A 7 10.984 3.565 -0.774 1.00 42.42 H new ATOM 0 HD21 LEU A 7 9.367 6.108 -1.410 1.00 4.32 H new ATOM 0 HD22 LEU A 7 9.981 5.707 0.211 1.00 4.32 H new ATOM 0 HD23 LEU A 7 10.398 7.267 -0.538 1.00 4.32 H new ATOM 120 N LEU A 8 13.148 3.452 2.139 1.00 74.53 N ATOM 121 CA LEU A 8 14.126 2.560 2.753 1.00 74.15 C ATOM 122 C LEU A 8 15.352 2.400 1.860 1.00 61.31 C ATOM 123 O LEU A 8 16.415 2.953 2.143 1.00 60.30 O ATOM 124 CB LEU A 8 13.497 1.192 3.026 1.00 43.23 C ATOM 125 CG LEU A 8 13.281 0.834 4.497 1.00 44.54 C ATOM 126 CD1 LEU A 8 14.573 1.003 5.282 1.00 73.20 C ATOM 127 CD2 LEU A 8 12.175 1.690 5.096 1.00 33.45 C ATOM 0 H LEU A 8 12.204 3.070 2.086 1.00 74.53 H new ATOM 0 HA LEU A 8 14.443 3.002 3.698 1.00 74.15 H new ATOM 0 HB2 LEU A 8 12.534 1.149 2.517 1.00 43.23 H new ATOM 0 HB3 LEU A 8 14.130 0.427 2.576 1.00 43.23 H new ATOM 0 HG LEU A 8 12.977 -0.211 4.557 1.00 44.54 H new ATOM 0 HD11 LEU A 8 14.401 0.744 6.327 1.00 73.20 H new ATOM 0 HD12 LEU A 8 15.339 0.348 4.867 1.00 73.20 H new ATOM 0 HD13 LEU A 8 14.906 2.039 5.215 1.00 73.20 H new ATOM 0 HD21 LEU A 8 12.034 1.422 6.143 1.00 33.45 H new ATOM 0 HD22 LEU A 8 12.450 2.742 5.024 1.00 33.45 H new ATOM 0 HD23 LEU A 8 11.247 1.520 4.550 1.00 33.45 H new ATOM 139 N TYR A 9 15.196 1.642 0.780 1.00 24.53 N ATOM 140 CA TYR A 9 16.291 1.408 -0.154 1.00 41.41 C ATOM 141 C TYR A 9 15.792 0.708 -1.414 1.00 71.12 C ATOM 142 O TYR A 9 16.002 -0.488 -1.615 1.00 62.43 O ATOM 143 CB TYR A 9 17.386 0.571 0.509 1.00 73.51 C ATOM 144 CG TYR A 9 16.851 -0.532 1.394 1.00 24.53 C ATOM 145 CD1 TYR A 9 16.585 -0.303 2.739 1.00 61.24 C ATOM 146 CD2 TYR A 9 16.614 -1.804 0.887 1.00 13.11 C ATOM 147 CE1 TYR A 9 16.097 -1.308 3.552 1.00 45.03 C ATOM 148 CE2 TYR A 9 16.125 -2.814 1.692 1.00 32.23 C ATOM 149 CZ TYR A 9 15.868 -2.562 3.024 1.00 45.51 C ATOM 150 OH TYR A 9 15.383 -3.566 3.830 1.00 52.34 O ATOM 0 H TYR A 9 14.322 1.179 0.530 1.00 24.53 H new ATOM 0 HA TYR A 9 16.705 2.375 -0.438 1.00 41.41 H new ATOM 0 HB2 TYR A 9 18.015 0.132 -0.265 1.00 73.51 H new ATOM 0 HB3 TYR A 9 18.023 1.226 1.103 1.00 73.51 H new ATOM 0 HD1 TYR A 9 16.763 0.677 3.156 1.00 61.24 H new ATOM 0 HD2 TYR A 9 16.816 -2.006 -0.155 1.00 13.11 H new ATOM 0 HE1 TYR A 9 15.896 -1.113 4.595 1.00 45.03 H new ATOM 0 HE2 TYR A 9 15.945 -3.796 1.281 1.00 32.23 H new ATOM 0 HH TYR A 9 15.277 -4.386 3.303 1.00 52.34 H new ATOM 160 N PRO A 10 15.114 1.471 -2.285 1.00 23.22 N ATOM 161 CA PRO A 10 14.572 0.946 -3.541 1.00 55.35 C ATOM 162 C PRO A 10 15.665 0.600 -4.546 1.00 4.12 C ATOM 163 O PRO A 10 16.437 1.465 -4.960 1.00 41.31 O ATOM 164 CB PRO A 10 13.711 2.099 -4.064 1.00 73.15 C ATOM 165 CG PRO A 10 14.306 3.322 -3.457 1.00 41.13 C ATOM 166 CD PRO A 10 14.826 2.904 -2.110 1.00 5.32 C ATOM 0 HA PRO A 10 14.021 0.017 -3.390 1.00 55.35 H new ATOM 0 HB2 PRO A 10 13.733 2.147 -5.153 1.00 73.15 H new ATOM 0 HB3 PRO A 10 12.668 1.979 -3.771 1.00 73.15 H new ATOM 0 HG2 PRO A 10 15.109 3.716 -4.080 1.00 41.13 H new ATOM 0 HG3 PRO A 10 13.561 4.112 -3.360 1.00 41.13 H new ATOM 0 HD2 PRO A 10 15.720 3.463 -1.833 1.00 5.32 H new ATOM 0 HD3 PRO A 10 14.089 3.073 -1.325 1.00 5.32 H new ATOM 174 N ARG A 11 15.726 -0.670 -4.933 1.00 41.35 N ATOM 175 CA ARG A 11 16.726 -1.130 -5.889 1.00 45.20 C ATOM 176 C ARG A 11 16.577 -2.625 -6.155 1.00 52.34 C ATOM 177 O ARG A 11 16.819 -3.094 -7.267 1.00 5.32 O ATOM 178 CB ARG A 11 18.134 -0.832 -5.369 1.00 41.13 C ATOM 179 CG ARG A 11 18.327 -1.177 -3.902 1.00 22.33 C ATOM 180 CD ARG A 11 19.561 -2.041 -3.690 1.00 40.43 C ATOM 181 NE ARG A 11 19.380 -2.997 -2.601 1.00 41.41 N ATOM 182 CZ ARG A 11 20.377 -3.681 -2.050 1.00 52.44 C ATOM 183 NH1 ARG A 11 21.619 -3.515 -2.485 1.00 15.44 N ATOM 184 NH2 ARG A 11 20.132 -4.532 -1.063 1.00 24.42 N ATOM 0 H ARG A 11 15.095 -1.398 -4.599 1.00 41.35 H new ATOM 0 HA ARG A 11 16.570 -0.594 -6.826 1.00 45.20 H new ATOM 0 HB2 ARG A 11 18.857 -1.391 -5.963 1.00 41.13 H new ATOM 0 HB3 ARG A 11 18.350 0.226 -5.516 1.00 41.13 H new ATOM 0 HG2 ARG A 11 18.420 -0.260 -3.321 1.00 22.33 H new ATOM 0 HG3 ARG A 11 17.446 -1.702 -3.532 1.00 22.33 H new ATOM 0 HD2 ARG A 11 19.789 -2.579 -4.610 1.00 40.43 H new ATOM 0 HD3 ARG A 11 20.417 -1.403 -3.473 1.00 40.43 H new ATOM 0 HE ARG A 11 18.437 -3.148 -2.244 1.00 41.41 H new ATOM 0 HH11 ARG A 11 21.810 -2.861 -3.244 1.00 15.44 H new ATOM 0 HH12 ARG A 11 22.383 -4.041 -2.060 1.00 15.44 H new ATOM 0 HH21 ARG A 11 19.178 -4.662 -0.727 1.00 24.42 H new ATOM 0 HH22 ARG A 11 20.898 -5.057 -0.640 1.00 24.42 H new ATOM 198 N GLU A 12 16.176 -3.367 -5.128 1.00 1.44 N ATOM 199 CA GLU A 12 15.996 -4.808 -5.251 1.00 72.34 C ATOM 200 C GLU A 12 15.091 -5.144 -6.434 1.00 3.03 C ATOM 201 O GLU A 12 15.218 -6.206 -7.042 1.00 55.24 O ATOM 202 CB GLU A 12 15.404 -5.383 -3.963 1.00 33.11 C ATOM 203 CG GLU A 12 15.894 -6.785 -3.640 1.00 54.23 C ATOM 204 CD GLU A 12 15.864 -7.086 -2.154 1.00 54.24 C ATOM 205 OE1 GLU A 12 14.753 -7.162 -1.588 1.00 3.04 O ATOM 206 OE2 GLU A 12 16.949 -7.245 -1.559 1.00 3.34 O ATOM 0 H GLU A 12 15.970 -2.994 -4.201 1.00 1.44 H new ATOM 0 HA GLU A 12 16.974 -5.257 -5.424 1.00 72.34 H new ATOM 0 HB2 GLU A 12 15.650 -4.721 -3.133 1.00 33.11 H new ATOM 0 HB3 GLU A 12 14.317 -5.398 -4.048 1.00 33.11 H new ATOM 0 HG2 GLU A 12 15.276 -7.512 -4.167 1.00 54.23 H new ATOM 0 HG3 GLU A 12 16.912 -6.904 -4.011 1.00 54.23 H new ATOM 213 N GLU A 13 14.179 -4.231 -6.751 1.00 41.45 N ATOM 214 CA GLU A 13 13.253 -4.431 -7.860 1.00 14.44 C ATOM 215 C GLU A 13 13.840 -3.897 -9.163 1.00 62.20 C ATOM 216 O GLU A 13 13.689 -4.509 -10.220 1.00 42.21 O ATOM 217 CB GLU A 13 11.918 -3.740 -7.569 1.00 23.43 C ATOM 218 CG GLU A 13 12.041 -2.239 -7.367 1.00 33.53 C ATOM 219 CD GLU A 13 11.725 -1.454 -8.625 1.00 11.24 C ATOM 220 OE1 GLU A 13 11.665 -2.069 -9.710 1.00 10.24 O ATOM 221 OE2 GLU A 13 11.537 -0.223 -8.523 1.00 64.22 O ATOM 0 H GLU A 13 14.061 -3.347 -6.257 1.00 41.45 H new ATOM 0 HA GLU A 13 13.084 -5.502 -7.970 1.00 14.44 H new ATOM 0 HB2 GLU A 13 11.232 -3.932 -8.394 1.00 23.43 H new ATOM 0 HB3 GLU A 13 11.476 -4.183 -6.677 1.00 23.43 H new ATOM 0 HG2 GLU A 13 11.367 -1.927 -6.569 1.00 33.53 H new ATOM 0 HG3 GLU A 13 13.053 -2.002 -7.040 1.00 33.53 H new ATOM 228 N MET A 14 14.510 -2.752 -9.078 1.00 70.45 N ATOM 229 CA MET A 14 15.121 -2.137 -10.251 1.00 11.53 C ATOM 230 C MET A 14 15.996 -3.138 -10.997 1.00 70.33 C ATOM 231 O MET A 14 16.060 -3.127 -12.227 1.00 12.33 O ATOM 232 CB MET A 14 15.954 -0.921 -9.839 1.00 20.30 C ATOM 233 CG MET A 14 15.143 0.169 -9.157 1.00 61.22 C ATOM 234 SD MET A 14 15.790 1.821 -9.479 1.00 64.55 S ATOM 235 CE MET A 14 15.290 2.054 -11.183 1.00 62.35 C ATOM 0 H MET A 14 14.643 -2.232 -8.211 1.00 70.45 H new ATOM 0 HA MET A 14 14.322 -1.813 -10.918 1.00 11.53 H new ATOM 0 HB2 MET A 14 16.748 -1.246 -9.167 1.00 20.30 H new ATOM 0 HB3 MET A 14 16.436 -0.504 -10.724 1.00 20.30 H new ATOM 0 HG2 MET A 14 14.109 0.115 -9.499 1.00 61.22 H new ATOM 0 HG3 MET A 14 15.133 -0.010 -8.082 1.00 61.22 H new ATOM 0 HE1 MET A 14 16.175 2.160 -11.811 1.00 62.35 H new ATOM 0 HE2 MET A 14 14.712 1.191 -11.514 1.00 62.35 H new ATOM 0 HE3 MET A 14 14.679 2.953 -11.263 1.00 62.35 H new ATOM 245 N VAL A 15 16.669 -4.004 -10.246 1.00 64.24 N ATOM 246 CA VAL A 15 17.540 -5.013 -10.837 1.00 62.24 C ATOM 247 C VAL A 15 16.728 -6.115 -11.508 1.00 60.32 C ATOM 248 O VAL A 15 17.170 -6.719 -12.486 1.00 21.14 O ATOM 249 CB VAL A 15 18.466 -5.644 -9.781 1.00 4.23 C ATOM 250 CG1 VAL A 15 19.450 -4.613 -9.249 1.00 13.54 C ATOM 251 CG2 VAL A 15 17.649 -6.247 -8.648 1.00 61.24 C ATOM 0 H VAL A 15 16.628 -4.027 -9.227 1.00 64.24 H new ATOM 0 HA VAL A 15 18.148 -4.506 -11.586 1.00 62.24 H new ATOM 0 HB VAL A 15 19.035 -6.444 -10.254 1.00 4.23 H new ATOM 0 HG11 VAL A 15 20.096 -5.077 -8.504 1.00 13.54 H new ATOM 0 HG12 VAL A 15 20.058 -4.233 -10.070 1.00 13.54 H new ATOM 0 HG13 VAL A 15 18.902 -3.789 -8.791 1.00 13.54 H new ATOM 0 HG21 VAL A 15 18.320 -6.689 -7.911 1.00 61.24 H new ATOM 0 HG22 VAL A 15 17.052 -5.467 -8.175 1.00 61.24 H new ATOM 0 HG23 VAL A 15 16.989 -7.018 -9.046 1.00 61.24 H new ATOM 261 N SER A 16 15.537 -6.372 -10.977 1.00 22.34 N ATOM 262 CA SER A 16 14.663 -7.405 -11.522 1.00 4.33 C ATOM 263 C SER A 16 14.347 -7.130 -12.989 1.00 4.12 C ATOM 264 O SER A 16 14.450 -8.019 -13.835 1.00 54.12 O ATOM 265 CB SER A 16 13.366 -7.483 -10.715 1.00 10.23 C ATOM 266 OG SER A 16 13.632 -7.729 -9.345 1.00 14.13 O ATOM 0 H SER A 16 15.155 -5.879 -10.170 1.00 22.34 H new ATOM 0 HA SER A 16 15.183 -8.360 -11.453 1.00 4.33 H new ATOM 0 HB2 SER A 16 12.812 -6.550 -10.819 1.00 10.23 H new ATOM 0 HB3 SER A 16 12.733 -8.276 -11.114 1.00 10.23 H new ATOM 0 HG SER A 16 12.787 -7.773 -8.850 1.00 14.13 H new ATOM 272 N LEU A 17 13.963 -5.893 -13.283 1.00 0.33 N ATOM 273 CA LEU A 17 13.631 -5.499 -14.648 1.00 5.54 C ATOM 274 C LEU A 17 14.812 -5.734 -15.584 1.00 50.14 C ATOM 275 O LEU A 17 14.750 -6.578 -16.479 1.00 12.33 O ATOM 276 CB LEU A 17 13.219 -4.026 -14.688 1.00 42.02 C ATOM 277 CG LEU A 17 12.053 -3.630 -13.782 1.00 30.21 C ATOM 278 CD1 LEU A 17 11.125 -4.814 -13.558 1.00 61.23 C ATOM 279 CD2 LEU A 17 12.568 -3.095 -12.454 1.00 34.24 C ATOM 0 H LEU A 17 13.874 -5.145 -12.595 1.00 0.33 H new ATOM 0 HA LEU A 17 12.796 -6.113 -14.985 1.00 5.54 H new ATOM 0 HB2 LEU A 17 14.084 -3.420 -14.419 1.00 42.02 H new ATOM 0 HB3 LEU A 17 12.958 -3.770 -15.715 1.00 42.02 H new ATOM 0 HG LEU A 17 11.487 -2.839 -14.275 1.00 30.21 H new ATOM 0 HD11 LEU A 17 10.301 -4.513 -12.911 1.00 61.23 H new ATOM 0 HD12 LEU A 17 10.729 -5.152 -14.516 1.00 61.23 H new ATOM 0 HD13 LEU A 17 11.679 -5.626 -13.087 1.00 61.23 H new ATOM 0 HD21 LEU A 17 11.725 -2.818 -11.822 1.00 34.24 H new ATOM 0 HD22 LEU A 17 13.158 -3.865 -11.956 1.00 34.24 H new ATOM 0 HD23 LEU A 17 13.191 -2.219 -12.632 1.00 34.24 H new ATOM 291 N VAL A 18 15.888 -4.984 -15.372 1.00 5.43 N ATOM 292 CA VAL A 18 17.085 -5.113 -16.195 1.00 0.33 C ATOM 293 C VAL A 18 17.523 -6.569 -16.303 1.00 2.11 C ATOM 294 O VAL A 18 18.074 -6.988 -17.321 1.00 41.10 O ATOM 295 CB VAL A 18 18.249 -4.279 -15.627 1.00 40.44 C ATOM 296 CG1 VAL A 18 18.715 -4.848 -14.296 1.00 14.42 C ATOM 297 CG2 VAL A 18 19.398 -4.222 -16.623 1.00 52.40 C ATOM 0 H VAL A 18 15.956 -4.280 -14.637 1.00 5.43 H new ATOM 0 HA VAL A 18 16.830 -4.739 -17.186 1.00 0.33 H new ATOM 0 HB VAL A 18 17.895 -3.262 -15.456 1.00 40.44 H new ATOM 0 HG11 VAL A 18 19.538 -4.245 -13.911 1.00 14.42 H new ATOM 0 HG12 VAL A 18 17.889 -4.832 -13.585 1.00 14.42 H new ATOM 0 HG13 VAL A 18 19.053 -5.875 -14.437 1.00 14.42 H new ATOM 0 HG21 VAL A 18 20.212 -3.629 -16.206 1.00 52.40 H new ATOM 0 HG22 VAL A 18 19.753 -5.232 -16.827 1.00 52.40 H new ATOM 0 HG23 VAL A 18 19.053 -3.764 -17.550 1.00 52.40 H new ATOM 307 N ARG A 19 17.274 -7.336 -15.247 1.00 22.04 N ATOM 308 CA ARG A 19 17.644 -8.746 -15.222 1.00 74.14 C ATOM 309 C ARG A 19 16.758 -9.557 -16.164 1.00 53.51 C ATOM 310 O ARG A 19 17.227 -10.474 -16.838 1.00 15.13 O ATOM 311 CB ARG A 19 17.535 -9.299 -13.800 1.00 72.43 C ATOM 312 CG ARG A 19 18.786 -9.082 -12.965 1.00 13.22 C ATOM 313 CD ARG A 19 19.671 -10.318 -12.955 1.00 44.14 C ATOM 314 NE ARG A 19 19.025 -11.450 -12.297 1.00 13.44 N ATOM 315 CZ ARG A 19 18.876 -11.547 -10.980 1.00 45.12 C ATOM 316 NH1 ARG A 19 19.326 -10.585 -10.186 1.00 61.02 N ATOM 317 NH2 ARG A 19 18.277 -12.608 -10.455 1.00 71.05 N ATOM 0 H ARG A 19 16.817 -7.005 -14.397 1.00 22.04 H new ATOM 0 HA ARG A 19 18.677 -8.831 -15.559 1.00 74.14 H new ATOM 0 HB2 ARG A 19 16.688 -8.828 -13.300 1.00 72.43 H new ATOM 0 HB3 ARG A 19 17.322 -10.367 -13.850 1.00 72.43 H new ATOM 0 HG2 ARG A 19 19.347 -8.235 -13.361 1.00 13.22 H new ATOM 0 HG3 ARG A 19 18.503 -8.828 -11.944 1.00 13.22 H new ATOM 0 HD2 ARG A 19 19.924 -10.591 -13.980 1.00 44.14 H new ATOM 0 HD3 ARG A 19 20.607 -10.089 -12.446 1.00 44.14 H new ATOM 0 HE ARG A 19 18.669 -12.208 -12.880 1.00 13.44 H new ATOM 0 HH11 ARG A 19 19.788 -9.768 -10.586 1.00 61.02 H new ATOM 0 HH12 ARG A 19 19.210 -10.662 -9.176 1.00 61.02 H new ATOM 0 HH21 ARG A 19 17.930 -13.350 -11.062 1.00 71.05 H new ATOM 0 HH22 ARG A 19 18.163 -12.681 -9.444 1.00 71.05 H new ATOM 331 N SER A 20 15.475 -9.211 -16.205 1.00 33.22 N ATOM 332 CA SER A 20 14.522 -9.909 -17.060 1.00 61.13 C ATOM 333 C SER A 20 14.935 -9.811 -18.526 1.00 30.42 C ATOM 334 O SER A 20 14.700 -10.730 -19.312 1.00 20.11 O ATOM 335 CB SER A 20 13.118 -9.330 -16.874 1.00 62.25 C ATOM 336 OG SER A 20 12.218 -9.859 -17.833 1.00 13.34 O ATOM 0 H SER A 20 15.072 -8.452 -15.656 1.00 33.22 H new ATOM 0 HA SER A 20 14.515 -10.960 -16.772 1.00 61.13 H new ATOM 0 HB2 SER A 20 12.758 -9.555 -15.870 1.00 62.25 H new ATOM 0 HB3 SER A 20 13.154 -8.244 -16.964 1.00 62.25 H new ATOM 0 HG SER A 20 11.327 -9.475 -17.693 1.00 13.34 H new ATOM 342 N LEU A 21 15.552 -8.691 -18.887 1.00 35.45 N ATOM 343 CA LEU A 21 15.998 -8.471 -20.258 1.00 23.52 C ATOM 344 C LEU A 21 17.501 -8.700 -20.384 1.00 41.41 C ATOM 345 O LEU A 21 18.225 -8.701 -19.388 1.00 52.41 O ATOM 346 CB LEU A 21 15.647 -7.053 -20.708 1.00 54.42 C ATOM 347 CG LEU A 21 16.418 -5.922 -20.027 1.00 14.54 C ATOM 348 CD1 LEU A 21 17.248 -5.153 -21.043 1.00 73.21 C ATOM 349 CD2 LEU A 21 15.462 -4.987 -19.300 1.00 54.31 C ATOM 0 H LEU A 21 15.755 -7.921 -18.249 1.00 35.45 H new ATOM 0 HA LEU A 21 15.485 -9.186 -20.901 1.00 23.52 H new ATOM 0 HB2 LEU A 21 15.813 -6.983 -21.783 1.00 54.42 H new ATOM 0 HB3 LEU A 21 14.582 -6.893 -20.539 1.00 54.42 H new ATOM 0 HG LEU A 21 17.095 -6.361 -19.294 1.00 14.54 H new ATOM 0 HD11 LEU A 21 17.789 -4.352 -20.539 1.00 73.21 H new ATOM 0 HD12 LEU A 21 17.959 -5.829 -21.518 1.00 73.21 H new ATOM 0 HD13 LEU A 21 16.591 -4.726 -21.801 1.00 73.21 H new ATOM 0 HD21 LEU A 21 16.028 -4.188 -18.821 1.00 54.31 H new ATOM 0 HD22 LEU A 21 14.760 -4.557 -20.014 1.00 54.31 H new ATOM 0 HD23 LEU A 21 14.912 -5.546 -18.543 1.00 54.31 H new ATOM 361 N ASP A 22 17.964 -8.890 -21.615 1.00 32.44 N ATOM 362 CA ASP A 22 19.381 -9.116 -21.872 1.00 24.10 C ATOM 363 C ASP A 22 19.639 -9.307 -23.363 1.00 62.04 C ATOM 364 O ASP A 22 20.305 -10.259 -23.771 1.00 52.04 O ATOM 365 CB ASP A 22 19.874 -10.339 -21.096 1.00 2.50 C ATOM 366 CG ASP A 22 21.266 -10.141 -20.528 1.00 33.23 C ATOM 367 OD1 ASP A 22 22.162 -9.716 -21.287 1.00 22.15 O ATOM 368 OD2 ASP A 22 21.458 -10.411 -19.324 1.00 2.11 O ATOM 0 H ASP A 22 17.378 -8.892 -22.450 1.00 32.44 H new ATOM 0 HA ASP A 22 19.930 -8.237 -21.536 1.00 24.10 H new ATOM 0 HB2 ASP A 22 19.180 -10.554 -20.283 1.00 2.50 H new ATOM 0 HB3 ASP A 22 19.873 -11.208 -21.754 1.00 2.50 H new ATOM 373 N ARG A 23 19.107 -8.396 -24.172 1.00 20.50 N ATOM 374 CA ARG A 23 19.278 -8.466 -25.618 1.00 74.02 C ATOM 375 C ARG A 23 19.905 -7.182 -26.154 1.00 75.21 C ATOM 376 O ARG A 23 19.280 -6.418 -26.890 1.00 44.32 O ATOM 377 CB ARG A 23 17.931 -8.712 -26.301 1.00 32.02 C ATOM 378 CG ARG A 23 16.802 -7.860 -25.745 1.00 35.14 C ATOM 379 CD ARG A 23 15.758 -8.711 -25.039 1.00 34.05 C ATOM 380 NE ARG A 23 16.364 -9.675 -24.125 1.00 22.14 N ATOM 381 CZ ARG A 23 15.663 -10.514 -23.369 1.00 43.53 C ATOM 382 NH1 ARG A 23 14.338 -10.506 -23.419 1.00 64.42 N ATOM 383 NH2 ARG A 23 16.288 -11.362 -22.562 1.00 53.24 N ATOM 0 H ARG A 23 18.554 -7.601 -23.850 1.00 20.50 H new ATOM 0 HA ARG A 23 19.947 -9.297 -25.840 1.00 74.02 H new ATOM 0 HB2 ARG A 23 18.033 -8.514 -27.368 1.00 32.02 H new ATOM 0 HB3 ARG A 23 17.667 -9.764 -26.196 1.00 32.02 H new ATOM 0 HG2 ARG A 23 17.207 -7.127 -25.048 1.00 35.14 H new ATOM 0 HG3 ARG A 23 16.332 -7.303 -26.555 1.00 35.14 H new ATOM 0 HD2 ARG A 23 15.078 -8.064 -24.485 1.00 34.05 H new ATOM 0 HD3 ARG A 23 15.161 -9.241 -25.781 1.00 34.05 H new ATOM 0 HE ARG A 23 17.382 -9.706 -24.063 1.00 22.14 H new ATOM 0 HH11 ARG A 23 13.855 -9.855 -24.038 1.00 64.42 H new ATOM 0 HH12 ARG A 23 13.802 -11.151 -22.838 1.00 64.42 H new ATOM 0 HH21 ARG A 23 17.307 -11.370 -22.521 1.00 53.24 H new ATOM 0 HH22 ARG A 23 15.749 -12.005 -21.982 1.00 53.24 H new ATOM 397 N PRO A 24 21.168 -6.938 -25.777 1.00 23.23 N ATOM 398 CA PRO A 24 21.907 -5.748 -26.208 1.00 3.24 C ATOM 399 C PRO A 24 22.254 -5.787 -27.692 1.00 4.31 C ATOM 400 O PRO A 24 23.391 -6.078 -28.065 1.00 15.22 O ATOM 401 CB PRO A 24 23.181 -5.794 -25.359 1.00 74.32 C ATOM 402 CG PRO A 24 23.359 -7.235 -25.022 1.00 51.54 C ATOM 403 CD PRO A 24 21.973 -7.806 -24.901 1.00 3.02 C ATOM 0 HA PRO A 24 21.324 -4.837 -26.077 1.00 3.24 H new ATOM 0 HB2 PRO A 24 24.038 -5.407 -25.910 1.00 74.32 H new ATOM 0 HB3 PRO A 24 23.080 -5.187 -24.460 1.00 74.32 H new ATOM 0 HG2 PRO A 24 23.927 -7.750 -25.797 1.00 51.54 H new ATOM 0 HG3 PRO A 24 23.912 -7.352 -24.090 1.00 51.54 H new ATOM 0 HD2 PRO A 24 21.938 -8.846 -25.224 1.00 3.02 H new ATOM 0 HD3 PRO A 24 21.616 -7.780 -23.871 1.00 3.02 H new ATOM 411 N GLN A 25 21.269 -5.491 -28.533 1.00 70.13 N ATOM 412 CA GLN A 25 21.472 -5.493 -29.977 1.00 52.13 C ATOM 413 C GLN A 25 22.354 -4.324 -30.405 1.00 34.24 C ATOM 414 O GLN A 25 23.335 -4.506 -31.124 1.00 73.35 O ATOM 415 CB GLN A 25 20.127 -5.424 -30.702 1.00 73.25 C ATOM 416 CG GLN A 25 19.252 -6.648 -30.480 1.00 3.42 C ATOM 417 CD GLN A 25 19.903 -7.927 -30.967 1.00 44.11 C ATOM 418 OE1 GLN A 25 19.977 -8.917 -30.238 1.00 54.41 O ATOM 419 NE2 GLN A 25 20.381 -7.914 -32.206 1.00 52.21 N ATOM 0 H GLN A 25 20.323 -5.247 -28.240 1.00 70.13 H new ATOM 0 HA GLN A 25 21.975 -6.422 -30.246 1.00 52.13 H new ATOM 0 HB2 GLN A 25 19.589 -4.537 -30.367 1.00 73.25 H new ATOM 0 HB3 GLN A 25 20.305 -5.304 -31.771 1.00 73.25 H new ATOM 0 HG2 GLN A 25 19.027 -6.741 -29.418 1.00 3.42 H new ATOM 0 HG3 GLN A 25 18.302 -6.509 -30.996 1.00 3.42 H new ATOM 0 HE21 GLN A 25 20.298 -7.072 -32.776 1.00 52.21 H new ATOM 0 HE22 GLN A 25 20.831 -8.746 -32.588 1.00 52.21 H new ATOM 428 N GLU A 26 21.996 -3.125 -29.956 1.00 44.23 N ATOM 429 CA GLU A 26 22.755 -1.927 -30.294 1.00 45.51 C ATOM 430 C GLU A 26 24.032 -1.838 -29.462 1.00 72.42 C ATOM 431 O GLU A 26 25.119 -1.622 -29.996 1.00 21.54 O ATOM 432 CB GLU A 26 21.902 -0.676 -30.073 1.00 1.12 C ATOM 433 CG GLU A 26 21.477 0.007 -31.362 1.00 33.40 C ATOM 434 CD GLU A 26 22.347 1.200 -31.705 1.00 21.00 C ATOM 435 OE1 GLU A 26 23.550 0.998 -31.973 1.00 41.43 O ATOM 436 OE2 GLU A 26 21.826 2.335 -31.705 1.00 20.31 O ATOM 0 H GLU A 26 21.187 -2.958 -29.358 1.00 44.23 H new ATOM 0 HA GLU A 26 23.031 -1.989 -31.347 1.00 45.51 H new ATOM 0 HB2 GLU A 26 21.012 -0.949 -29.506 1.00 1.12 H new ATOM 0 HB3 GLU A 26 22.463 0.033 -29.464 1.00 1.12 H new ATOM 0 HG2 GLU A 26 21.515 -0.713 -32.180 1.00 33.40 H new ATOM 0 HG3 GLU A 26 20.441 0.332 -31.272 1.00 33.40 H new ATOM 443 N ASN A 27 23.890 -2.007 -28.152 1.00 14.14 N ATOM 444 CA ASN A 27 25.030 -1.945 -27.245 1.00 22.41 C ATOM 445 C ASN A 27 25.848 -0.679 -27.484 1.00 34.50 C ATOM 446 O ASN A 27 27.034 -0.745 -27.802 1.00 3.15 O ATOM 447 CB ASN A 27 25.917 -3.180 -27.423 1.00 12.42 C ATOM 448 CG ASN A 27 26.868 -3.380 -26.259 1.00 64.53 C ATOM 449 OD1 ASN A 27 28.083 -3.237 -26.404 1.00 74.31 O ATOM 450 ND2 ASN A 27 26.319 -3.714 -25.097 1.00 65.41 N ATOM 0 H ASN A 27 22.997 -2.188 -27.694 1.00 14.14 H new ATOM 0 HA ASN A 27 24.649 -1.923 -26.224 1.00 22.41 H new ATOM 0 HB2 ASN A 27 25.288 -4.064 -27.531 1.00 12.42 H new ATOM 0 HB3 ASN A 27 26.490 -3.083 -28.345 1.00 12.42 H new ATOM 0 HD21 ASN A 27 26.909 -3.863 -24.278 1.00 65.41 H new ATOM 0 HD22 ASN A 27 25.307 -3.822 -25.023 1.00 65.41 H new ATOM 457 N GLY A 28 25.203 0.473 -27.328 1.00 50.13 N ATOM 458 CA GLY A 28 25.885 1.738 -27.531 1.00 23.24 C ATOM 459 C GLY A 28 25.123 2.908 -26.943 1.00 13.54 C ATOM 460 O GLY A 28 25.720 3.835 -26.393 1.00 51.34 O ATOM 0 H GLY A 28 24.221 0.553 -27.065 1.00 50.13 H new ATOM 0 HA2 GLY A 28 26.876 1.690 -27.079 1.00 23.24 H new ATOM 0 HA3 GLY A 28 26.029 1.902 -28.599 1.00 23.24 H new ATOM 464 N LEU A 29 23.800 2.869 -27.059 1.00 30.15 N ATOM 465 CA LEU A 29 22.954 3.936 -26.535 1.00 72.23 C ATOM 466 C LEU A 29 21.491 3.506 -26.506 1.00 33.42 C ATOM 467 O LEU A 29 20.755 3.833 -25.575 1.00 10.44 O ATOM 468 CB LEU A 29 23.109 5.199 -27.384 1.00 12.01 C ATOM 469 CG LEU A 29 22.036 6.271 -27.194 1.00 15.45 C ATOM 470 CD1 LEU A 29 22.668 7.653 -27.123 1.00 33.20 C ATOM 471 CD2 LEU A 29 21.013 6.208 -28.318 1.00 74.24 C ATOM 0 H LEU A 29 23.290 2.110 -27.511 1.00 30.15 H new ATOM 0 HA LEU A 29 23.271 4.150 -25.514 1.00 72.23 H new ATOM 0 HB2 LEU A 29 24.080 5.643 -27.165 1.00 12.01 H new ATOM 0 HB3 LEU A 29 23.121 4.907 -28.434 1.00 12.01 H new ATOM 0 HG LEU A 29 21.523 6.080 -26.252 1.00 15.45 H new ATOM 0 HD11 LEU A 29 21.889 8.403 -26.988 1.00 33.20 H new ATOM 0 HD12 LEU A 29 23.361 7.694 -26.282 1.00 33.20 H new ATOM 0 HD13 LEU A 29 23.208 7.854 -28.048 1.00 33.20 H new ATOM 0 HD21 LEU A 29 20.257 6.978 -28.166 1.00 74.24 H new ATOM 0 HD22 LEU A 29 21.511 6.372 -29.273 1.00 74.24 H new ATOM 0 HD23 LEU A 29 20.536 5.228 -28.322 1.00 74.24 H new ATOM 483 N PHE A 30 21.076 2.768 -27.530 1.00 74.31 N ATOM 484 CA PHE A 30 19.700 2.291 -27.621 1.00 44.01 C ATOM 485 C PHE A 30 19.391 1.307 -26.497 1.00 75.41 C ATOM 486 O PHE A 30 18.230 0.982 -26.244 1.00 65.33 O ATOM 487 CB PHE A 30 19.457 1.626 -28.978 1.00 5.42 C ATOM 488 CG PHE A 30 18.772 2.522 -29.970 1.00 2.11 C ATOM 489 CD1 PHE A 30 19.422 3.632 -30.485 1.00 40.03 C ATOM 490 CD2 PHE A 30 17.479 2.254 -30.387 1.00 74.24 C ATOM 491 CE1 PHE A 30 18.793 4.458 -31.398 1.00 4.13 C ATOM 492 CE2 PHE A 30 16.845 3.076 -31.300 1.00 10.20 C ATOM 493 CZ PHE A 30 17.504 4.179 -31.806 1.00 52.35 C ATOM 0 H PHE A 30 21.672 2.487 -28.308 1.00 74.31 H new ATOM 0 HA PHE A 30 19.036 3.150 -27.521 1.00 44.01 H new ATOM 0 HB2 PHE A 30 20.412 1.303 -29.392 1.00 5.42 H new ATOM 0 HB3 PHE A 30 18.853 0.730 -28.832 1.00 5.42 H new ATOM 0 HD1 PHE A 30 20.431 3.854 -30.170 1.00 40.03 H new ATOM 0 HD2 PHE A 30 16.960 1.392 -29.994 1.00 74.24 H new ATOM 0 HE1 PHE A 30 19.310 5.321 -31.792 1.00 4.13 H new ATOM 0 HE2 PHE A 30 15.836 2.856 -31.617 1.00 10.20 H new ATOM 0 HZ PHE A 30 17.012 4.823 -32.520 1.00 52.35 H new ATOM 503 N SER A 31 20.437 0.835 -25.826 1.00 53.23 N ATOM 504 CA SER A 31 20.278 -0.116 -24.732 1.00 52.51 C ATOM 505 C SER A 31 21.377 0.067 -23.690 1.00 11.11 C ATOM 506 O SER A 31 21.699 -0.858 -22.945 1.00 2.34 O ATOM 507 CB SER A 31 20.299 -1.549 -25.267 1.00 2.24 C ATOM 508 OG SER A 31 19.101 -1.853 -25.960 1.00 1.51 O ATOM 0 H SER A 31 21.404 1.096 -26.021 1.00 53.23 H new ATOM 0 HA SER A 31 19.316 0.072 -24.256 1.00 52.51 H new ATOM 0 HB2 SER A 31 21.151 -1.679 -25.934 1.00 2.24 H new ATOM 0 HB3 SER A 31 20.432 -2.247 -24.440 1.00 2.24 H new ATOM 0 HG SER A 31 18.555 -1.043 -26.040 1.00 1.51 H new ATOM 514 N GLN A 32 21.948 1.266 -23.645 1.00 51.51 N ATOM 515 CA GLN A 32 23.011 1.571 -22.695 1.00 64.32 C ATOM 516 C GLN A 32 23.071 3.067 -22.406 1.00 21.13 C ATOM 517 O GLN A 32 22.285 3.845 -22.945 1.00 52.44 O ATOM 518 CB GLN A 32 24.359 1.090 -23.235 1.00 63.51 C ATOM 519 CG GLN A 32 25.042 0.067 -22.342 1.00 23.51 C ATOM 520 CD GLN A 32 24.400 -1.304 -22.427 1.00 14.24 C ATOM 521 OE1 GLN A 32 24.062 -1.908 -21.408 1.00 52.11 O ATOM 522 NE2 GLN A 32 24.227 -1.803 -23.645 1.00 53.41 N ATOM 0 H GLN A 32 21.692 2.042 -24.255 1.00 51.51 H new ATOM 0 HA GLN A 32 22.792 1.048 -21.764 1.00 64.32 H new ATOM 0 HB2 GLN A 32 24.211 0.656 -24.224 1.00 63.51 H new ATOM 0 HB3 GLN A 32 25.018 1.949 -23.360 1.00 63.51 H new ATOM 0 HG2 GLN A 32 26.093 -0.010 -22.622 1.00 23.51 H new ATOM 0 HG3 GLN A 32 25.012 0.414 -21.309 1.00 23.51 H new ATOM 0 HE21 GLN A 32 24.522 -1.268 -24.462 1.00 53.41 H new ATOM 0 HE22 GLN A 32 23.799 -2.721 -23.764 1.00 53.41 H new ATOM 531 N ASP A 33 24.008 3.462 -21.551 1.00 31.03 N ATOM 532 CA ASP A 33 24.171 4.865 -21.190 1.00 12.53 C ATOM 533 C ASP A 33 25.355 5.482 -21.927 1.00 51.55 C ATOM 534 O ASP A 33 26.510 5.161 -21.648 1.00 11.12 O ATOM 535 CB ASP A 33 24.366 5.006 -19.679 1.00 54.32 C ATOM 536 CG ASP A 33 23.153 4.546 -18.894 1.00 2.33 C ATOM 537 OD1 ASP A 33 22.666 3.427 -19.157 1.00 51.20 O ATOM 538 OD2 ASP A 33 22.691 5.306 -18.016 1.00 62.42 O ATOM 0 H ASP A 33 24.666 2.830 -21.095 1.00 31.03 H new ATOM 0 HA ASP A 33 23.266 5.397 -21.483 1.00 12.53 H new ATOM 0 HB2 ASP A 33 25.236 4.425 -19.372 1.00 54.32 H new ATOM 0 HB3 ASP A 33 24.577 6.048 -19.438 1.00 54.32 H new ATOM 543 N VAL A 34 25.060 6.370 -22.872 1.00 72.22 N ATOM 544 CA VAL A 34 26.100 7.032 -23.651 1.00 14.13 C ATOM 545 C VAL A 34 27.086 7.760 -22.744 1.00 33.32 C ATOM 546 O VAL A 34 28.242 7.974 -23.111 1.00 31.14 O ATOM 547 CB VAL A 34 25.498 8.039 -24.649 1.00 30.10 C ATOM 548 CG1 VAL A 34 24.875 9.214 -23.912 1.00 14.41 C ATOM 549 CG2 VAL A 34 26.559 8.516 -25.629 1.00 62.20 C ATOM 0 H VAL A 34 24.109 6.647 -23.116 1.00 72.22 H new ATOM 0 HA VAL A 34 26.626 6.254 -24.204 1.00 14.13 H new ATOM 0 HB VAL A 34 24.712 7.538 -25.214 1.00 30.10 H new ATOM 0 HG11 VAL A 34 24.455 9.915 -24.634 1.00 14.41 H new ATOM 0 HG12 VAL A 34 24.084 8.853 -23.254 1.00 14.41 H new ATOM 0 HG13 VAL A 34 25.638 9.718 -23.319 1.00 14.41 H new ATOM 0 HG21 VAL A 34 26.116 9.227 -26.327 1.00 62.20 H new ATOM 0 HG22 VAL A 34 27.368 9.000 -25.082 1.00 62.20 H new ATOM 0 HG23 VAL A 34 26.954 7.663 -26.181 1.00 62.20 H new ATOM 559 N LEU A 35 26.622 8.137 -21.558 1.00 10.53 N ATOM 560 CA LEU A 35 27.463 8.841 -20.596 1.00 44.41 C ATOM 561 C LEU A 35 28.490 7.898 -19.977 1.00 74.21 C ATOM 562 O LEU A 35 29.520 8.335 -19.464 1.00 25.23 O ATOM 563 CB LEU A 35 26.602 9.468 -19.498 1.00 4.10 C ATOM 564 CG LEU A 35 27.044 10.845 -19.002 1.00 44.54 C ATOM 565 CD1 LEU A 35 28.412 10.762 -18.343 1.00 64.13 C ATOM 566 CD2 LEU A 35 27.064 11.844 -20.150 1.00 54.43 C ATOM 0 H LEU A 35 25.668 7.967 -21.239 1.00 10.53 H new ATOM 0 HA LEU A 35 27.996 9.630 -21.126 1.00 44.41 H new ATOM 0 HB2 LEU A 35 25.580 9.548 -19.867 1.00 4.10 H new ATOM 0 HB3 LEU A 35 26.581 8.787 -18.647 1.00 4.10 H new ATOM 0 HG LEU A 35 26.325 11.189 -18.258 1.00 44.54 H new ATOM 0 HD11 LEU A 35 28.710 11.752 -17.996 1.00 64.13 H new ATOM 0 HD12 LEU A 35 28.366 10.079 -17.495 1.00 64.13 H new ATOM 0 HD13 LEU A 35 29.142 10.396 -19.065 1.00 64.13 H new ATOM 0 HD21 LEU A 35 27.381 12.819 -19.779 1.00 54.43 H new ATOM 0 HD22 LEU A 35 27.760 11.504 -20.916 1.00 54.43 H new ATOM 0 HD23 LEU A 35 26.065 11.926 -20.578 1.00 54.43 H new ATOM 578 N LEU A 36 28.202 6.602 -20.031 1.00 10.01 N ATOM 579 CA LEU A 36 29.101 5.595 -19.477 1.00 50.25 C ATOM 580 C LEU A 36 30.061 5.078 -20.544 1.00 21.53 C ATOM 581 O LEU A 36 30.710 4.048 -20.360 1.00 51.02 O ATOM 582 CB LEU A 36 28.298 4.433 -18.891 1.00 13.12 C ATOM 583 CG LEU A 36 27.748 4.642 -17.479 1.00 51.23 C ATOM 584 CD1 LEU A 36 28.883 4.864 -16.492 1.00 30.53 C ATOM 585 CD2 LEU A 36 26.779 5.815 -17.453 1.00 0.32 C ATOM 0 H LEU A 36 27.354 6.224 -20.452 1.00 10.01 H new ATOM 0 HA LEU A 36 29.685 6.061 -18.683 1.00 50.25 H new ATOM 0 HB2 LEU A 36 27.462 4.223 -19.558 1.00 13.12 H new ATOM 0 HB3 LEU A 36 28.932 3.546 -18.885 1.00 13.12 H new ATOM 0 HG LEU A 36 27.207 3.743 -17.183 1.00 51.23 H new ATOM 0 HD11 LEU A 36 28.473 5.011 -15.493 1.00 30.53 H new ATOM 0 HD12 LEU A 36 29.539 3.994 -16.491 1.00 30.53 H new ATOM 0 HD13 LEU A 36 29.452 5.747 -16.784 1.00 30.53 H new ATOM 0 HD21 LEU A 36 26.397 5.949 -16.441 1.00 0.32 H new ATOM 0 HD22 LEU A 36 27.296 6.721 -17.769 1.00 0.32 H new ATOM 0 HD23 LEU A 36 25.949 5.616 -18.130 1.00 0.32 H new ATOM 597 N GLN A 37 30.147 5.800 -21.656 1.00 62.21 N ATOM 598 CA GLN A 37 31.030 5.414 -22.751 1.00 34.53 C ATOM 599 C GLN A 37 32.396 6.076 -22.608 1.00 30.10 C ATOM 600 O GLN A 37 33.384 5.419 -22.280 1.00 63.34 O ATOM 601 CB GLN A 37 30.405 5.791 -24.095 1.00 33.20 C ATOM 602 CG GLN A 37 29.005 5.232 -24.293 1.00 61.25 C ATOM 603 CD GLN A 37 29.008 3.749 -24.608 1.00 20.24 C ATOM 604 OE1 GLN A 37 30.066 3.138 -24.764 1.00 35.44 O ATOM 605 NE2 GLN A 37 27.821 3.161 -24.702 1.00 0.00 N ATOM 0 H GLN A 37 29.617 6.655 -21.823 1.00 62.21 H new ATOM 0 HA GLN A 37 31.165 4.333 -22.712 1.00 34.53 H new ATOM 0 HB2 GLN A 37 30.369 6.877 -24.177 1.00 33.20 H new ATOM 0 HB3 GLN A 37 31.048 5.432 -24.899 1.00 33.20 H new ATOM 0 HG2 GLN A 37 28.417 5.407 -23.392 1.00 61.25 H new ATOM 0 HG3 GLN A 37 28.514 5.771 -25.103 1.00 61.25 H new ATOM 0 HE21 GLN A 37 26.970 3.706 -24.565 1.00 0.00 H new ATOM 0 HE22 GLN A 37 27.761 2.164 -24.911 1.00 0.00 H new ATOM 614 N TYR A 38 32.444 7.380 -22.856 1.00 64.12 N ATOM 615 CA TYR A 38 33.690 8.131 -22.758 1.00 64.21 C ATOM 616 C TYR A 38 33.420 9.594 -22.420 1.00 33.44 C ATOM 617 O TYR A 38 32.452 10.196 -22.884 1.00 12.20 O ATOM 618 CB TYR A 38 34.472 8.035 -24.069 1.00 44.43 C ATOM 619 CG TYR A 38 35.909 7.601 -23.887 1.00 42.12 C ATOM 620 CD1 TYR A 38 36.219 6.308 -23.484 1.00 34.05 C ATOM 621 CD2 TYR A 38 36.957 8.484 -24.118 1.00 21.32 C ATOM 622 CE1 TYR A 38 37.530 5.907 -23.315 1.00 72.31 C ATOM 623 CE2 TYR A 38 38.271 8.091 -23.953 1.00 62.35 C ATOM 624 CZ TYR A 38 38.552 6.801 -23.552 1.00 4.52 C ATOM 625 OH TYR A 38 39.860 6.407 -23.386 1.00 21.44 O ATOM 0 H TYR A 38 31.635 7.939 -23.126 1.00 64.12 H new ATOM 0 HA TYR A 38 34.284 7.695 -21.955 1.00 64.21 H new ATOM 0 HB2 TYR A 38 33.969 7.330 -24.731 1.00 44.43 H new ATOM 0 HB3 TYR A 38 34.454 9.006 -24.565 1.00 44.43 H new ATOM 0 HD1 TYR A 38 35.421 5.604 -23.300 1.00 34.05 H new ATOM 0 HD2 TYR A 38 36.740 9.494 -24.432 1.00 21.32 H new ATOM 0 HE1 TYR A 38 37.753 4.899 -22.999 1.00 72.31 H new ATOM 0 HE2 TYR A 38 39.074 8.790 -24.137 1.00 62.35 H new ATOM 0 HH TYR A 38 40.456 7.156 -23.595 1.00 21.44 H new ATOM 635 N PRO A 39 34.296 10.180 -21.590 1.00 60.34 N ATOM 636 CA PRO A 39 34.175 11.579 -21.171 1.00 52.21 C ATOM 637 C PRO A 39 34.454 12.552 -22.312 1.00 14.25 C ATOM 638 O PRO A 39 35.504 13.193 -22.350 1.00 34.34 O ATOM 639 CB PRO A 39 35.239 11.716 -20.079 1.00 60.24 C ATOM 640 CG PRO A 39 36.244 10.663 -20.397 1.00 5.34 C ATOM 641 CD PRO A 39 35.473 9.522 -20.999 1.00 20.42 C ATOM 0 HA PRO A 39 33.166 11.818 -20.834 1.00 52.21 H new ATOM 0 HB2 PRO A 39 35.689 12.709 -20.087 1.00 60.24 H new ATOM 0 HB3 PRO A 39 34.811 11.568 -19.088 1.00 60.24 H new ATOM 0 HG2 PRO A 39 36.994 11.037 -21.094 1.00 5.34 H new ATOM 0 HG3 PRO A 39 36.773 10.345 -19.499 1.00 5.34 H new ATOM 0 HD2 PRO A 39 36.059 8.994 -21.752 1.00 20.42 H new ATOM 0 HD3 PRO A 39 35.187 8.788 -20.245 1.00 20.42 H new ATOM 649 N GLU A 40 33.506 12.658 -23.238 1.00 64.23 N ATOM 650 CA GLU A 40 33.652 13.553 -24.380 1.00 0.42 C ATOM 651 C GLU A 40 32.305 13.802 -25.052 1.00 34.04 C ATOM 652 O GLU A 40 32.003 14.921 -25.470 1.00 24.23 O ATOM 653 CB GLU A 40 34.639 12.969 -25.392 1.00 70.34 C ATOM 654 CG GLU A 40 34.278 11.567 -25.854 1.00 63.23 C ATOM 655 CD GLU A 40 35.494 10.752 -26.249 1.00 64.24 C ATOM 656 OE1 GLU A 40 36.616 11.299 -26.199 1.00 61.25 O ATOM 657 OE2 GLU A 40 35.325 9.568 -26.608 1.00 71.04 O ATOM 0 H GLU A 40 32.630 12.136 -23.220 1.00 64.23 H new ATOM 0 HA GLU A 40 34.038 14.505 -24.015 1.00 0.42 H new ATOM 0 HB2 GLU A 40 34.689 13.627 -26.260 1.00 70.34 H new ATOM 0 HB3 GLU A 40 35.634 12.951 -24.948 1.00 70.34 H new ATOM 0 HG2 GLU A 40 33.744 11.052 -25.056 1.00 63.23 H new ATOM 0 HG3 GLU A 40 33.597 11.632 -26.703 1.00 63.23 H new ATOM 664 N LEU A 41 31.498 12.751 -25.152 1.00 52.44 N ATOM 665 CA LEU A 41 30.182 12.854 -25.774 1.00 10.12 C ATOM 666 C LEU A 41 29.098 13.068 -24.722 1.00 22.41 C ATOM 667 O LEU A 41 27.937 12.720 -24.934 1.00 12.33 O ATOM 668 CB LEU A 41 29.880 11.593 -26.585 1.00 53.13 C ATOM 669 CG LEU A 41 30.140 10.262 -25.879 1.00 50.01 C ATOM 670 CD1 LEU A 41 31.598 9.855 -26.027 1.00 51.33 C ATOM 671 CD2 LEU A 41 29.757 10.354 -24.409 1.00 52.23 C ATOM 0 H LEU A 41 31.732 11.819 -24.811 1.00 52.44 H new ATOM 0 HA LEU A 41 30.189 13.715 -26.442 1.00 10.12 H new ATOM 0 HB2 LEU A 41 28.833 11.622 -26.888 1.00 53.13 H new ATOM 0 HB3 LEU A 41 30.477 11.620 -27.497 1.00 53.13 H new ATOM 0 HG LEU A 41 29.521 9.497 -26.348 1.00 50.01 H new ATOM 0 HD11 LEU A 41 31.764 8.905 -25.518 1.00 51.33 H new ATOM 0 HD12 LEU A 41 31.840 9.747 -27.084 1.00 51.33 H new ATOM 0 HD13 LEU A 41 32.236 10.620 -25.585 1.00 51.33 H new ATOM 0 HD21 LEU A 41 29.949 9.398 -23.922 1.00 52.23 H new ATOM 0 HD22 LEU A 41 30.349 11.132 -23.927 1.00 52.23 H new ATOM 0 HD23 LEU A 41 28.698 10.599 -24.323 1.00 52.23 H new ATOM 683 N ALA A 42 29.486 13.643 -23.589 1.00 1.25 N ATOM 684 CA ALA A 42 28.547 13.907 -22.505 1.00 50.25 C ATOM 685 C ALA A 42 27.517 14.954 -22.915 1.00 10.40 C ATOM 686 O ALA A 42 26.395 14.964 -22.410 1.00 51.42 O ATOM 687 CB ALA A 42 29.293 14.357 -21.258 1.00 51.31 C ATOM 0 H ALA A 42 30.444 13.935 -23.397 1.00 1.25 H new ATOM 0 HA ALA A 42 28.017 12.981 -22.283 1.00 50.25 H new ATOM 0 HB1 ALA A 42 28.579 14.550 -20.457 1.00 51.31 H new ATOM 0 HB2 ALA A 42 29.985 13.575 -20.946 1.00 51.31 H new ATOM 0 HB3 ALA A 42 29.850 15.268 -21.476 1.00 51.31 H new ATOM 693 N GLU A 43 27.907 15.834 -23.832 1.00 52.31 N ATOM 694 CA GLU A 43 27.016 16.887 -24.307 1.00 62.33 C ATOM 695 C GLU A 43 25.836 16.296 -25.074 1.00 23.13 C ATOM 696 O GLU A 43 24.737 16.849 -25.065 1.00 12.42 O ATOM 697 CB GLU A 43 27.780 17.867 -25.201 1.00 34.34 C ATOM 698 CG GLU A 43 26.997 19.127 -25.530 1.00 32.41 C ATOM 699 CD GLU A 43 27.863 20.207 -26.147 1.00 43.12 C ATOM 700 OE1 GLU A 43 29.027 19.912 -26.490 1.00 70.41 O ATOM 701 OE2 GLU A 43 27.377 21.349 -26.288 1.00 34.24 O ATOM 0 H GLU A 43 28.833 15.839 -24.260 1.00 52.31 H new ATOM 0 HA GLU A 43 26.632 17.422 -23.439 1.00 62.33 H new ATOM 0 HB2 GLU A 43 28.711 18.146 -24.707 1.00 34.34 H new ATOM 0 HB3 GLU A 43 28.050 17.364 -26.130 1.00 34.34 H new ATOM 0 HG2 GLU A 43 26.188 18.879 -26.217 1.00 32.41 H new ATOM 0 HG3 GLU A 43 26.536 19.512 -24.620 1.00 32.41 H new ATOM 708 N SER A 44 26.074 15.169 -25.737 1.00 33.43 N ATOM 709 CA SER A 44 25.033 14.504 -26.512 1.00 53.33 C ATOM 710 C SER A 44 24.080 13.739 -25.599 1.00 54.22 C ATOM 711 O SER A 44 22.905 13.557 -25.921 1.00 43.35 O ATOM 712 CB SER A 44 25.657 13.549 -27.531 1.00 45.44 C ATOM 713 OG SER A 44 25.986 12.308 -26.932 1.00 61.02 O ATOM 0 H SER A 44 26.978 14.697 -25.753 1.00 33.43 H new ATOM 0 HA SER A 44 24.465 15.269 -27.042 1.00 53.33 H new ATOM 0 HB2 SER A 44 24.962 13.386 -28.354 1.00 45.44 H new ATOM 0 HB3 SER A 44 26.554 14.000 -27.956 1.00 45.44 H new ATOM 0 HG SER A 44 26.664 12.449 -26.239 1.00 61.02 H new ATOM 719 N TYR A 45 24.594 13.293 -24.459 1.00 12.35 N ATOM 720 CA TYR A 45 23.790 12.545 -23.499 1.00 5.43 C ATOM 721 C TYR A 45 22.492 13.282 -23.184 1.00 1.12 C ATOM 722 O TYR A 45 21.399 12.746 -23.368 1.00 52.24 O ATOM 723 CB TYR A 45 24.583 12.312 -22.211 1.00 75.02 C ATOM 724 CG TYR A 45 23.767 11.684 -21.104 1.00 13.23 C ATOM 725 CD1 TYR A 45 23.016 10.537 -21.332 1.00 0.30 C ATOM 726 CD2 TYR A 45 23.746 12.238 -19.830 1.00 15.02 C ATOM 727 CE1 TYR A 45 22.268 9.960 -20.323 1.00 45.55 C ATOM 728 CE2 TYR A 45 23.002 11.667 -18.815 1.00 2.20 C ATOM 729 CZ TYR A 45 22.265 10.529 -19.067 1.00 22.23 C ATOM 730 OH TYR A 45 21.522 9.958 -18.059 1.00 23.01 O ATOM 0 H TYR A 45 25.564 13.436 -24.176 1.00 12.35 H new ATOM 0 HA TYR A 45 23.541 11.582 -23.944 1.00 5.43 H new ATOM 0 HB2 TYR A 45 25.437 11.671 -22.431 1.00 75.02 H new ATOM 0 HB3 TYR A 45 24.981 13.265 -21.862 1.00 75.02 H new ATOM 0 HD1 TYR A 45 23.017 10.089 -22.315 1.00 0.30 H new ATOM 0 HD2 TYR A 45 24.321 13.130 -19.630 1.00 15.02 H new ATOM 0 HE1 TYR A 45 21.689 9.069 -20.517 1.00 45.55 H new ATOM 0 HE2 TYR A 45 22.998 12.110 -17.830 1.00 2.20 H new ATOM 0 HH TYR A 45 21.630 10.481 -17.237 1.00 23.01 H new ATOM 740 N THR A 46 22.620 14.517 -22.707 1.00 63.42 N ATOM 741 CA THR A 46 21.459 15.328 -22.366 1.00 2.54 C ATOM 742 C THR A 46 20.488 15.419 -23.537 1.00 34.42 C ATOM 743 O THR A 46 19.272 15.349 -23.355 1.00 52.23 O ATOM 744 CB THR A 46 21.873 16.752 -21.946 1.00 33.44 C ATOM 745 OG1 THR A 46 20.714 17.587 -21.839 1.00 25.25 O ATOM 746 CG2 THR A 46 22.845 17.351 -22.950 1.00 3.10 C ATOM 0 H THR A 46 23.517 14.977 -22.548 1.00 63.42 H new ATOM 0 HA THR A 46 20.966 14.837 -21.527 1.00 2.54 H new ATOM 0 HB THR A 46 22.368 16.692 -20.977 1.00 33.44 H new ATOM 0 HG1 THR A 46 20.985 18.490 -21.570 1.00 25.25 H new ATOM 0 HG21 THR A 46 23.123 18.356 -22.632 1.00 3.10 H new ATOM 0 HG22 THR A 46 23.738 16.729 -23.008 1.00 3.10 H new ATOM 0 HG23 THR A 46 22.372 17.398 -23.931 1.00 3.10 H new ATOM 754 N LYS A 47 21.031 15.573 -24.739 1.00 52.15 N ATOM 755 CA LYS A 47 20.212 15.671 -25.942 1.00 65.23 C ATOM 756 C LYS A 47 19.332 14.436 -26.103 1.00 61.32 C ATOM 757 O LYS A 47 18.310 14.474 -26.788 1.00 40.54 O ATOM 758 CB LYS A 47 21.101 15.841 -27.176 1.00 64.14 C ATOM 759 CG LYS A 47 20.322 15.981 -28.473 1.00 22.44 C ATOM 760 CD LYS A 47 20.039 14.627 -29.102 1.00 20.23 C ATOM 761 CE LYS A 47 20.944 14.367 -30.296 1.00 52.04 C ATOM 762 NZ LYS A 47 20.590 15.229 -31.458 1.00 3.52 N ATOM 0 H LYS A 47 22.035 15.633 -24.907 1.00 52.15 H new ATOM 0 HA LYS A 47 19.567 16.544 -25.843 1.00 65.23 H new ATOM 0 HB2 LYS A 47 21.729 16.722 -27.042 1.00 64.14 H new ATOM 0 HB3 LYS A 47 21.768 14.983 -27.254 1.00 64.14 H new ATOM 0 HG2 LYS A 47 19.382 16.497 -28.280 1.00 22.44 H new ATOM 0 HG3 LYS A 47 20.886 16.598 -29.173 1.00 22.44 H new ATOM 0 HD2 LYS A 47 20.181 13.843 -28.359 1.00 20.23 H new ATOM 0 HD3 LYS A 47 18.997 14.582 -29.418 1.00 20.23 H new ATOM 0 HE2 LYS A 47 21.981 14.548 -30.012 1.00 52.04 H new ATOM 0 HE3 LYS A 47 20.871 13.319 -30.586 1.00 52.04 H new ATOM 0 HZ1 LYS A 47 21.016 14.839 -32.323 1.00 3.52 H new ATOM 0 HZ2 LYS A 47 19.556 15.260 -31.565 1.00 3.52 H new ATOM 0 HZ3 LYS A 47 20.950 16.192 -31.299 1.00 3.52 H new ATOM 776 N VAL A 48 19.734 13.341 -25.466 1.00 64.52 N ATOM 777 CA VAL A 48 18.981 12.095 -25.537 1.00 35.43 C ATOM 778 C VAL A 48 18.243 11.824 -24.230 1.00 62.31 C ATOM 779 O VAL A 48 17.753 10.718 -24.000 1.00 74.31 O ATOM 780 CB VAL A 48 19.900 10.900 -25.852 1.00 73.50 C ATOM 781 CG1 VAL A 48 19.089 9.728 -26.386 1.00 11.34 C ATOM 782 CG2 VAL A 48 20.980 11.306 -26.843 1.00 23.14 C ATOM 0 H VAL A 48 20.578 13.292 -24.895 1.00 64.52 H new ATOM 0 HA VAL A 48 18.257 12.209 -26.344 1.00 35.43 H new ATOM 0 HB VAL A 48 20.386 10.584 -24.929 1.00 73.50 H new ATOM 0 HG11 VAL A 48 19.755 8.893 -26.603 1.00 11.34 H new ATOM 0 HG12 VAL A 48 18.356 9.423 -25.639 1.00 11.34 H new ATOM 0 HG13 VAL A 48 18.574 10.028 -27.299 1.00 11.34 H new ATOM 0 HG21 VAL A 48 21.620 10.450 -27.054 1.00 23.14 H new ATOM 0 HG22 VAL A 48 20.515 11.649 -27.768 1.00 23.14 H new ATOM 0 HG23 VAL A 48 21.579 12.111 -26.418 1.00 23.14 H new ATOM 792 N CYS A 49 18.168 12.840 -23.378 1.00 25.10 N ATOM 793 CA CYS A 49 17.491 12.712 -22.093 1.00 34.32 C ATOM 794 C CYS A 49 18.208 11.706 -21.198 1.00 11.54 C ATOM 795 O CYS A 49 18.986 10.871 -21.659 1.00 51.43 O ATOM 796 CB CYS A 49 16.037 12.283 -22.300 1.00 24.43 C ATOM 797 SG CYS A 49 14.838 13.623 -22.116 1.00 4.52 S ATOM 0 H CYS A 49 18.568 13.762 -23.554 1.00 25.10 H new ATOM 0 HA CYS A 49 17.509 13.685 -21.602 1.00 34.32 H new ATOM 0 HB2 CYS A 49 15.935 11.853 -23.296 1.00 24.43 H new ATOM 0 HB3 CYS A 49 15.797 11.495 -21.586 1.00 24.43 H new ATOM 0 HG CYS A 49 13.638 13.162 -22.312 1.00 4.52 H new ATOM 803 N PRO A 50 17.943 11.788 -19.885 1.00 71.13 N ATOM 804 CA PRO A 50 18.554 10.894 -18.897 1.00 71.33 C ATOM 805 C PRO A 50 18.038 9.463 -19.013 1.00 12.54 C ATOM 806 O PRO A 50 17.208 9.027 -18.216 1.00 3.02 O ATOM 807 CB PRO A 50 18.137 11.507 -17.558 1.00 75.52 C ATOM 808 CG PRO A 50 16.881 12.251 -17.857 1.00 60.30 C ATOM 809 CD PRO A 50 17.026 12.759 -19.265 1.00 30.11 C ATOM 0 HA PRO A 50 19.633 10.818 -19.028 1.00 71.33 H new ATOM 0 HB2 PRO A 50 17.971 10.737 -16.805 1.00 75.52 H new ATOM 0 HB3 PRO A 50 18.908 12.172 -17.170 1.00 75.52 H new ATOM 0 HG2 PRO A 50 16.011 11.601 -17.764 1.00 60.30 H new ATOM 0 HG3 PRO A 50 16.739 13.075 -17.157 1.00 60.30 H new ATOM 0 HD2 PRO A 50 16.067 12.792 -19.781 1.00 30.11 H new ATOM 0 HD3 PRO A 50 17.435 13.769 -19.288 1.00 30.11 H new ATOM 817 N ASN A 51 18.535 8.738 -20.009 1.00 52.45 N ATOM 818 CA ASN A 51 18.123 7.357 -20.229 1.00 23.54 C ATOM 819 C ASN A 51 16.642 7.280 -20.587 1.00 2.41 C ATOM 820 O ASN A 51 15.776 7.521 -19.745 1.00 64.42 O ATOM 821 CB ASN A 51 18.402 6.516 -18.981 1.00 74.30 C ATOM 822 CG ASN A 51 19.780 6.774 -18.405 1.00 44.51 C ATOM 823 OD1 ASN A 51 19.941 6.923 -17.194 1.00 25.13 O ATOM 824 ND2 ASN A 51 20.783 6.830 -19.274 1.00 3.02 N ATOM 0 H ASN A 51 19.224 9.084 -20.677 1.00 52.45 H new ATOM 0 HA ASN A 51 18.700 6.961 -21.064 1.00 23.54 H new ATOM 0 HB2 ASN A 51 17.649 6.734 -18.224 1.00 74.30 H new ATOM 0 HB3 ASN A 51 18.308 5.459 -19.230 1.00 74.30 H new ATOM 0 HD21 ASN A 51 21.733 7.002 -18.946 1.00 3.02 H new ATOM 0 HD22 ASN A 51 20.603 6.701 -20.270 1.00 3.02 H new ATOM 831 N ARG A 52 16.359 6.944 -21.841 1.00 30.10 N ATOM 832 CA ARG A 52 14.983 6.836 -22.311 1.00 41.50 C ATOM 833 C ARG A 52 14.770 5.533 -23.074 1.00 74.43 C ATOM 834 O ARG A 52 13.942 5.463 -23.984 1.00 65.32 O ATOM 835 CB ARG A 52 14.633 8.027 -23.206 1.00 30.12 C ATOM 836 CG ARG A 52 13.141 8.195 -23.440 1.00 35.41 C ATOM 837 CD ARG A 52 12.812 9.582 -23.970 1.00 22.40 C ATOM 838 NE ARG A 52 13.414 9.824 -25.278 1.00 42.23 N ATOM 839 CZ ARG A 52 13.481 11.024 -25.845 1.00 64.43 C ATOM 840 NH1 ARG A 52 12.987 12.084 -25.222 1.00 32.02 N ATOM 841 NH2 ARG A 52 14.045 11.164 -27.038 1.00 52.15 N ATOM 0 H ARG A 52 17.064 6.742 -22.550 1.00 30.10 H new ATOM 0 HA ARG A 52 14.327 6.838 -21.441 1.00 41.50 H new ATOM 0 HB2 ARG A 52 15.026 8.938 -22.755 1.00 30.12 H new ATOM 0 HB3 ARG A 52 15.132 7.907 -24.168 1.00 30.12 H new ATOM 0 HG2 ARG A 52 12.796 7.442 -24.149 1.00 35.41 H new ATOM 0 HG3 ARG A 52 12.604 8.024 -22.507 1.00 35.41 H new ATOM 0 HD2 ARG A 52 11.730 9.696 -24.042 1.00 22.40 H new ATOM 0 HD3 ARG A 52 13.165 10.333 -23.264 1.00 22.40 H new ATOM 0 HE ARG A 52 13.804 9.029 -25.784 1.00 42.23 H new ATOM 0 HH11 ARG A 52 12.554 11.980 -24.304 1.00 32.02 H new ATOM 0 HH12 ARG A 52 13.040 13.004 -25.660 1.00 32.02 H new ATOM 0 HH21 ARG A 52 14.427 10.350 -27.520 1.00 52.15 H new ATOM 0 HH22 ARG A 52 14.096 12.085 -27.473 1.00 52.15 H new ATOM 855 N CYS A 53 15.520 4.503 -22.698 1.00 44.42 N ATOM 856 CA CYS A 53 15.414 3.202 -23.348 1.00 65.21 C ATOM 857 C CYS A 53 14.658 2.214 -22.466 1.00 71.23 C ATOM 858 O CYS A 53 13.490 1.914 -22.713 1.00 55.43 O ATOM 859 CB CYS A 53 16.806 2.655 -23.670 1.00 72.33 C ATOM 860 SG CYS A 53 17.756 3.681 -24.816 1.00 54.51 S ATOM 0 H CYS A 53 16.208 4.544 -21.946 1.00 44.42 H new ATOM 0 HA CYS A 53 14.858 3.331 -24.277 1.00 65.21 H new ATOM 0 HB2 CYS A 53 17.367 2.551 -22.741 1.00 72.33 H new ATOM 0 HB3 CYS A 53 16.703 1.656 -24.094 1.00 72.33 H new ATOM 0 HG CYS A 53 19.011 3.345 -24.761 1.00 54.51 H new ATOM 866 N ASP A 54 15.332 1.710 -21.439 1.00 20.34 N ATOM 867 CA ASP A 54 14.724 0.754 -20.520 1.00 12.42 C ATOM 868 C ASP A 54 15.721 0.317 -19.452 1.00 25.20 C ATOM 869 O ASP A 54 15.654 0.760 -18.305 1.00 14.13 O ATOM 870 CB ASP A 54 14.210 -0.466 -21.286 1.00 15.44 C ATOM 871 CG ASP A 54 12.702 -0.456 -21.445 1.00 50.43 C ATOM 872 OD1 ASP A 54 11.997 -0.381 -20.417 1.00 63.33 O ATOM 873 OD2 ASP A 54 12.227 -0.523 -22.598 1.00 73.05 O ATOM 0 H ASP A 54 16.300 1.947 -21.221 1.00 20.34 H new ATOM 0 HA ASP A 54 13.884 1.244 -20.028 1.00 12.42 H new ATOM 0 HB2 ASP A 54 14.676 -0.496 -22.271 1.00 15.44 H new ATOM 0 HB3 ASP A 54 14.511 -1.373 -20.763 1.00 15.44 H new ATOM 878 N LEU A 55 16.646 -0.556 -19.836 1.00 22.10 N ATOM 879 CA LEU A 55 17.658 -1.055 -18.911 1.00 61.22 C ATOM 880 C LEU A 55 18.595 0.066 -18.473 1.00 22.44 C ATOM 881 O LEU A 55 19.064 0.086 -17.335 1.00 50.50 O ATOM 882 CB LEU A 55 18.462 -2.182 -19.563 1.00 51.42 C ATOM 883 CG LEU A 55 19.527 -1.749 -20.571 1.00 63.34 C ATOM 884 CD1 LEU A 55 20.492 -2.891 -20.851 1.00 71.34 C ATOM 885 CD2 LEU A 55 18.878 -1.269 -21.861 1.00 35.30 C ATOM 0 H LEU A 55 16.716 -0.933 -20.781 1.00 22.10 H new ATOM 0 HA LEU A 55 17.149 -1.444 -18.029 1.00 61.22 H new ATOM 0 HB2 LEU A 55 18.948 -2.757 -18.775 1.00 51.42 H new ATOM 0 HB3 LEU A 55 17.766 -2.854 -20.065 1.00 51.42 H new ATOM 0 HG LEU A 55 20.090 -0.921 -20.142 1.00 63.34 H new ATOM 0 HD11 LEU A 55 21.243 -2.565 -21.570 1.00 71.34 H new ATOM 0 HD12 LEU A 55 20.983 -3.188 -19.924 1.00 71.34 H new ATOM 0 HD13 LEU A 55 19.943 -3.739 -21.259 1.00 71.34 H new ATOM 0 HD21 LEU A 55 19.652 -0.965 -22.566 1.00 35.30 H new ATOM 0 HD22 LEU A 55 18.289 -2.077 -22.295 1.00 35.30 H new ATOM 0 HD23 LEU A 55 18.228 -0.420 -21.647 1.00 35.30 H new ATOM 897 N ALA A 56 18.862 0.997 -19.382 1.00 71.14 N ATOM 898 CA ALA A 56 19.739 2.123 -19.088 1.00 41.21 C ATOM 899 C ALA A 56 19.095 3.072 -18.083 1.00 44.42 C ATOM 900 O ALA A 56 19.786 3.731 -17.304 1.00 73.32 O ATOM 901 CB ALA A 56 20.091 2.866 -20.368 1.00 44.32 C ATOM 0 H ALA A 56 18.483 0.994 -20.329 1.00 71.14 H new ATOM 0 HA ALA A 56 20.655 1.733 -18.644 1.00 41.21 H new ATOM 0 HB1 ALA A 56 20.747 3.705 -20.133 1.00 44.32 H new ATOM 0 HB2 ALA A 56 20.600 2.189 -21.054 1.00 44.32 H new ATOM 0 HB3 ALA A 56 19.179 3.238 -20.835 1.00 44.32 H new ATOM 907 N THR A 57 17.768 3.140 -18.106 1.00 32.42 N ATOM 908 CA THR A 57 17.031 4.010 -17.198 1.00 70.21 C ATOM 909 C THR A 57 16.875 3.366 -15.825 1.00 54.12 C ATOM 910 O THR A 57 16.970 4.039 -14.799 1.00 52.13 O ATOM 911 CB THR A 57 15.636 4.350 -17.755 1.00 13.00 C ATOM 912 OG1 THR A 57 15.761 5.027 -19.011 1.00 21.23 O ATOM 913 CG2 THR A 57 14.861 5.222 -16.778 1.00 62.03 C ATOM 0 H THR A 57 17.181 2.603 -18.744 1.00 32.42 H new ATOM 0 HA THR A 57 17.609 4.929 -17.101 1.00 70.21 H new ATOM 0 HB THR A 57 15.089 3.418 -17.898 1.00 13.00 H new ATOM 0 HG1 THR A 57 15.451 5.952 -18.916 1.00 21.23 H new ATOM 0 HG21 THR A 57 13.879 5.449 -17.193 1.00 62.03 H new ATOM 0 HG22 THR A 57 14.742 4.692 -15.833 1.00 62.03 H new ATOM 0 HG23 THR A 57 15.406 6.150 -16.607 1.00 62.03 H new ATOM 921 N ALA A 58 16.635 2.059 -15.813 1.00 53.04 N ATOM 922 CA ALA A 58 16.468 1.324 -14.566 1.00 11.23 C ATOM 923 C ALA A 58 17.812 1.083 -13.887 1.00 31.02 C ATOM 924 O ALA A 58 17.934 1.208 -12.669 1.00 11.33 O ATOM 925 CB ALA A 58 15.759 0.002 -14.822 1.00 43.43 C ATOM 0 H ALA A 58 16.552 1.487 -16.654 1.00 53.04 H new ATOM 0 HA ALA A 58 15.855 1.928 -13.897 1.00 11.23 H new ATOM 0 HB1 ALA A 58 15.641 -0.536 -13.881 1.00 43.43 H new ATOM 0 HB2 ALA A 58 14.777 0.194 -15.256 1.00 43.43 H new ATOM 0 HB3 ALA A 58 16.350 -0.600 -15.513 1.00 43.43 H new ATOM 931 N ALA A 59 18.818 0.736 -14.683 1.00 32.41 N ATOM 932 CA ALA A 59 20.153 0.478 -14.158 1.00 42.24 C ATOM 933 C ALA A 59 20.802 1.763 -13.654 1.00 32.44 C ATOM 934 O ALA A 59 21.579 1.743 -12.699 1.00 41.20 O ATOM 935 CB ALA A 59 21.023 -0.171 -15.225 1.00 10.21 C ATOM 0 H ALA A 59 18.734 0.627 -15.694 1.00 32.41 H new ATOM 0 HA ALA A 59 20.059 -0.206 -13.315 1.00 42.24 H new ATOM 0 HB1 ALA A 59 22.017 -0.358 -14.819 1.00 10.21 H new ATOM 0 HB2 ALA A 59 20.574 -1.114 -15.536 1.00 10.21 H new ATOM 0 HB3 ALA A 59 21.101 0.494 -16.085 1.00 10.21 H new ATOM 941 N ASP A 60 20.478 2.877 -14.300 1.00 62.13 N ATOM 942 CA ASP A 60 21.029 4.171 -13.916 1.00 43.34 C ATOM 943 C ASP A 60 20.422 4.653 -12.602 1.00 73.44 C ATOM 944 O ASP A 60 21.139 5.049 -11.684 1.00 21.43 O ATOM 945 CB ASP A 60 20.778 5.203 -15.017 1.00 1.30 C ATOM 946 CG ASP A 60 21.284 6.583 -14.643 1.00 75.13 C ATOM 947 OD1 ASP A 60 20.675 7.218 -13.757 1.00 13.22 O ATOM 948 OD2 ASP A 60 22.288 7.027 -15.237 1.00 23.03 O ATOM 0 H ASP A 60 19.836 2.910 -15.092 1.00 62.13 H new ATOM 0 HA ASP A 60 22.104 4.053 -13.777 1.00 43.34 H new ATOM 0 HB2 ASP A 60 21.266 4.877 -15.935 1.00 1.30 H new ATOM 0 HB3 ASP A 60 19.709 5.255 -15.225 1.00 1.30 H new ATOM 953 N ARG A 61 19.096 4.616 -12.521 1.00 53.32 N ATOM 954 CA ARG A 61 18.392 5.051 -11.321 1.00 34.21 C ATOM 955 C ARG A 61 18.911 4.315 -10.089 1.00 63.13 C ATOM 956 O ARG A 61 18.988 4.884 -9.001 1.00 21.43 O ATOM 957 CB ARG A 61 16.888 4.815 -11.472 1.00 73.24 C ATOM 958 CG ARG A 61 16.079 6.096 -11.589 1.00 52.42 C ATOM 959 CD ARG A 61 16.255 6.744 -12.954 1.00 32.21 C ATOM 960 NE ARG A 61 17.349 7.711 -12.964 1.00 21.21 N ATOM 961 CZ ARG A 61 17.462 8.683 -13.862 1.00 5.00 C ATOM 962 NH1 ARG A 61 16.553 8.817 -14.817 1.00 71.13 N ATOM 963 NH2 ARG A 61 18.487 9.524 -13.805 1.00 41.21 N ATOM 0 H ARG A 61 18.488 4.289 -13.272 1.00 53.32 H new ATOM 0 HA ARG A 61 18.575 6.118 -11.190 1.00 34.21 H new ATOM 0 HB2 ARG A 61 16.712 4.202 -12.356 1.00 73.24 H new ATOM 0 HB3 ARG A 61 16.530 4.246 -10.614 1.00 73.24 H new ATOM 0 HG2 ARG A 61 15.024 5.878 -11.422 1.00 52.42 H new ATOM 0 HG3 ARG A 61 16.387 6.795 -10.811 1.00 52.42 H new ATOM 0 HD2 ARG A 61 16.447 5.972 -13.700 1.00 32.21 H new ATOM 0 HD3 ARG A 61 15.329 7.242 -13.241 1.00 32.21 H new ATOM 0 HE ARG A 61 18.066 7.636 -12.242 1.00 21.21 H new ATOM 0 HH11 ARG A 61 15.764 8.173 -14.864 1.00 71.13 H new ATOM 0 HH12 ARG A 61 16.643 9.565 -15.505 1.00 71.13 H new ATOM 0 HH21 ARG A 61 19.188 9.424 -13.071 1.00 41.21 H new ATOM 0 HH22 ARG A 61 18.573 10.270 -14.495 1.00 41.21 H new ATOM 977 N ALA A 62 19.266 3.047 -10.270 1.00 21.00 N ATOM 978 CA ALA A 62 19.780 2.234 -9.175 1.00 34.15 C ATOM 979 C ALA A 62 21.277 2.451 -8.985 1.00 61.20 C ATOM 980 O ALA A 62 21.740 2.714 -7.876 1.00 22.54 O ATOM 981 CB ALA A 62 19.485 0.763 -9.426 1.00 61.43 C ATOM 0 H ALA A 62 19.207 2.561 -11.165 1.00 21.00 H new ATOM 0 HA ALA A 62 19.276 2.543 -8.259 1.00 34.15 H new ATOM 0 HB1 ALA A 62 19.875 0.168 -8.600 1.00 61.43 H new ATOM 0 HB2 ALA A 62 18.408 0.616 -9.503 1.00 61.43 H new ATOM 0 HB3 ALA A 62 19.961 0.450 -10.355 1.00 61.43 H new ATOM 987 N ALA A 63 22.029 2.338 -10.075 1.00 2.30 N ATOM 988 CA ALA A 63 23.474 2.524 -10.028 1.00 62.54 C ATOM 989 C ALA A 63 23.836 3.856 -9.380 1.00 64.55 C ATOM 990 O ALA A 63 24.918 4.008 -8.811 1.00 74.44 O ATOM 991 CB ALA A 63 24.063 2.438 -11.429 1.00 14.40 C ATOM 0 H ALA A 63 21.662 2.119 -11.001 1.00 2.30 H new ATOM 0 HA ALA A 63 23.898 1.727 -9.418 1.00 62.54 H new ATOM 0 HB1 ALA A 63 25.143 2.579 -11.379 1.00 14.40 H new ATOM 0 HB2 ALA A 63 23.844 1.459 -11.856 1.00 14.40 H new ATOM 0 HB3 ALA A 63 23.625 3.214 -12.056 1.00 14.40 H new ATOM 997 N LYS A 64 22.926 4.819 -9.471 1.00 11.02 N ATOM 998 CA LYS A 64 23.148 6.139 -8.893 1.00 43.11 C ATOM 999 C LYS A 64 23.393 6.041 -7.391 1.00 12.44 C ATOM 1000 O LYS A 64 23.940 6.958 -6.780 1.00 42.50 O ATOM 1001 CB LYS A 64 21.947 7.047 -9.167 1.00 43.30 C ATOM 1002 CG LYS A 64 21.917 7.606 -10.579 1.00 1.41 C ATOM 1003 CD LYS A 64 22.126 9.111 -10.587 1.00 52.52 C ATOM 1004 CE LYS A 64 23.586 9.473 -10.362 1.00 60.13 C ATOM 1005 NZ LYS A 64 24.206 10.060 -11.582 1.00 43.40 N ATOM 0 H LYS A 64 22.027 4.710 -9.940 1.00 11.02 H new ATOM 0 HA LYS A 64 24.034 6.568 -9.360 1.00 43.11 H new ATOM 0 HB2 LYS A 64 21.030 6.486 -8.988 1.00 43.30 H new ATOM 0 HB3 LYS A 64 21.958 7.875 -8.458 1.00 43.30 H new ATOM 0 HG2 LYS A 64 22.692 7.127 -11.178 1.00 1.41 H new ATOM 0 HG3 LYS A 64 20.961 7.368 -11.045 1.00 1.41 H new ATOM 0 HD2 LYS A 64 21.791 9.521 -11.540 1.00 52.52 H new ATOM 0 HD3 LYS A 64 21.513 9.569 -9.811 1.00 52.52 H new ATOM 0 HE2 LYS A 64 23.661 10.183 -9.539 1.00 60.13 H new ATOM 0 HE3 LYS A 64 24.140 8.582 -10.066 1.00 60.13 H new ATOM 0 HZ1 LYS A 64 25.201 10.293 -11.388 1.00 43.40 H new ATOM 0 HZ2 LYS A 64 24.157 9.373 -12.361 1.00 43.40 H new ATOM 0 HZ3 LYS A 64 23.694 10.924 -11.850 1.00 43.40 H new ATOM 1019 N GLY A 65 22.984 4.922 -6.801 1.00 24.05 N ATOM 1020 CA GLY A 65 23.169 4.725 -5.375 1.00 23.03 C ATOM 1021 C GLY A 65 21.855 4.683 -4.620 1.00 25.30 C ATOM 1022 O GLY A 65 21.832 4.799 -3.395 1.00 54.31 O ATOM 0 H GLY A 65 22.528 4.149 -7.285 1.00 24.05 H new ATOM 0 HA2 GLY A 65 23.711 3.794 -5.207 1.00 23.03 H new ATOM 0 HA3 GLY A 65 23.787 5.530 -4.977 1.00 23.03 H new ATOM 1026 N ALA A 66 20.759 4.517 -5.353 1.00 1.14 N ATOM 1027 CA ALA A 66 19.436 4.460 -4.745 1.00 34.44 C ATOM 1028 C ALA A 66 19.241 5.594 -3.744 1.00 24.31 C ATOM 1029 O ALA A 66 19.153 5.362 -2.538 1.00 11.01 O ATOM 1030 CB ALA A 66 19.224 3.114 -4.068 1.00 32.44 C ATOM 0 H ALA A 66 20.761 4.420 -6.368 1.00 1.14 H new ATOM 0 HA ALA A 66 18.695 4.578 -5.536 1.00 34.44 H new ATOM 0 HB1 ALA A 66 18.232 3.085 -3.618 1.00 32.44 H new ATOM 0 HB2 ALA A 66 19.311 2.317 -4.807 1.00 32.44 H new ATOM 0 HB3 ALA A 66 19.978 2.974 -3.293 1.00 32.44 H new ATOM 1036 N TYR A 67 19.177 6.819 -4.251 1.00 54.54 N ATOM 1037 CA TYR A 67 18.996 7.990 -3.401 1.00 41.22 C ATOM 1038 C TYR A 67 17.863 7.770 -2.404 1.00 22.54 C ATOM 1039 O TYR A 67 18.096 7.629 -1.204 1.00 13.12 O ATOM 1040 CB TYR A 67 18.706 9.226 -4.254 1.00 51.23 C ATOM 1041 CG TYR A 67 19.940 10.031 -4.594 1.00 62.22 C ATOM 1042 CD1 TYR A 67 20.427 10.996 -3.721 1.00 70.40 C ATOM 1043 CD2 TYR A 67 20.620 9.825 -5.788 1.00 41.24 C ATOM 1044 CE1 TYR A 67 21.554 11.733 -4.028 1.00 13.40 C ATOM 1045 CE2 TYR A 67 21.749 10.557 -6.103 1.00 13.40 C ATOM 1046 CZ TYR A 67 22.211 11.511 -5.220 1.00 22.42 C ATOM 1047 OH TYR A 67 23.335 12.242 -5.529 1.00 12.54 O ATOM 0 H TYR A 67 19.248 7.028 -5.247 1.00 54.54 H new ATOM 0 HA TYR A 67 19.920 8.149 -2.845 1.00 41.22 H new ATOM 0 HB2 TYR A 67 18.221 8.913 -5.178 1.00 51.23 H new ATOM 0 HB3 TYR A 67 18.000 9.865 -3.724 1.00 51.23 H new ATOM 0 HD1 TYR A 67 19.916 11.173 -2.786 1.00 70.40 H new ATOM 0 HD2 TYR A 67 20.260 9.080 -6.482 1.00 41.24 H new ATOM 0 HE1 TYR A 67 21.919 12.479 -3.338 1.00 13.40 H new ATOM 0 HE2 TYR A 67 22.267 10.383 -7.035 1.00 13.40 H new ATOM 0 HH TYR A 67 23.677 11.962 -6.404 1.00 12.54 H new ATOM 1057 N GLY A 68 16.634 7.740 -2.911 1.00 23.34 N ATOM 1058 CA GLY A 68 15.482 7.535 -2.052 1.00 3.31 C ATOM 1059 C GLY A 68 14.541 8.723 -2.053 1.00 14.12 C ATOM 1060 O GLY A 68 14.423 9.430 -3.054 1.00 11.22 O ATOM 0 H GLY A 68 16.416 7.854 -3.901 1.00 23.34 H new ATOM 0 HA2 GLY A 68 14.942 6.647 -2.380 1.00 3.31 H new ATOM 0 HA3 GLY A 68 15.821 7.344 -1.034 1.00 3.31 H new ATOM 1064 N TYR A 69 13.867 8.942 -0.929 1.00 52.42 N ATOM 1065 CA TYR A 69 12.927 10.050 -0.805 1.00 41.45 C ATOM 1066 C TYR A 69 11.927 10.047 -1.957 1.00 55.42 C ATOM 1067 O TYR A 69 12.127 10.718 -2.970 1.00 71.22 O ATOM 1068 CB TYR A 69 13.678 11.382 -0.771 1.00 44.43 C ATOM 1069 CG TYR A 69 13.690 12.036 0.592 1.00 52.31 C ATOM 1070 CD1 TYR A 69 14.093 11.331 1.719 1.00 12.42 C ATOM 1071 CD2 TYR A 69 13.298 13.360 0.752 1.00 23.13 C ATOM 1072 CE1 TYR A 69 14.104 11.925 2.967 1.00 71.24 C ATOM 1073 CE2 TYR A 69 13.308 13.962 1.996 1.00 73.04 C ATOM 1074 CZ TYR A 69 13.711 13.240 3.100 1.00 52.23 C ATOM 1075 OH TYR A 69 13.722 13.835 4.340 1.00 11.34 O ATOM 0 H TYR A 69 13.954 8.367 -0.091 1.00 52.42 H new ATOM 0 HA TYR A 69 12.379 9.925 0.129 1.00 41.45 H new ATOM 0 HB2 TYR A 69 14.706 11.218 -1.095 1.00 44.43 H new ATOM 0 HB3 TYR A 69 13.222 12.065 -1.488 1.00 44.43 H new ATOM 0 HD1 TYR A 69 14.403 10.301 1.618 1.00 12.42 H new ATOM 0 HD2 TYR A 69 12.980 13.928 -0.110 1.00 23.13 H new ATOM 0 HE1 TYR A 69 14.419 11.362 3.833 1.00 71.24 H new ATOM 0 HE2 TYR A 69 13.002 14.992 2.103 1.00 73.04 H new ATOM 0 HH TYR A 69 13.418 14.763 4.260 1.00 11.34 H new ATOM 1085 N ASP A 70 10.849 9.289 -1.794 1.00 34.55 N ATOM 1086 CA ASP A 70 9.814 9.198 -2.818 1.00 4.33 C ATOM 1087 C ASP A 70 8.425 9.190 -2.188 1.00 0.43 C ATOM 1088 O ASP A 70 8.092 8.301 -1.404 1.00 42.21 O ATOM 1089 CB ASP A 70 10.012 7.939 -3.663 1.00 30.13 C ATOM 1090 CG ASP A 70 9.815 8.198 -5.143 1.00 53.33 C ATOM 1091 OD1 ASP A 70 8.911 8.986 -5.492 1.00 3.51 O ATOM 1092 OD2 ASP A 70 10.563 7.612 -5.954 1.00 3.34 O ATOM 0 H ASP A 70 10.668 8.728 -0.962 1.00 34.55 H new ATOM 0 HA ASP A 70 9.896 10.074 -3.461 1.00 4.33 H new ATOM 0 HB2 ASP A 70 11.015 7.547 -3.496 1.00 30.13 H new ATOM 0 HB3 ASP A 70 9.311 7.171 -3.335 1.00 30.13 H new ATOM 1097 N VAL A 71 7.618 10.188 -2.535 1.00 33.22 N ATOM 1098 CA VAL A 71 6.264 10.296 -2.004 1.00 2.04 C ATOM 1099 C VAL A 71 5.457 9.036 -2.296 1.00 12.31 C ATOM 1100 O VAL A 71 4.519 8.707 -1.570 1.00 63.50 O ATOM 1101 CB VAL A 71 5.526 11.513 -2.592 1.00 2.45 C ATOM 1102 CG1 VAL A 71 5.248 11.306 -4.072 1.00 63.45 C ATOM 1103 CG2 VAL A 71 4.235 11.772 -1.830 1.00 3.35 C ATOM 0 H VAL A 71 7.878 10.933 -3.181 1.00 33.22 H new ATOM 0 HA VAL A 71 6.356 10.423 -0.925 1.00 2.04 H new ATOM 0 HB VAL A 71 6.166 12.389 -2.487 1.00 2.45 H new ATOM 0 HG11 VAL A 71 4.726 12.176 -4.469 1.00 63.45 H new ATOM 0 HG12 VAL A 71 6.190 11.174 -4.604 1.00 63.45 H new ATOM 0 HG13 VAL A 71 4.628 10.419 -4.205 1.00 63.45 H new ATOM 0 HG21 VAL A 71 3.726 12.635 -2.259 1.00 3.35 H new ATOM 0 HG22 VAL A 71 3.588 10.897 -1.902 1.00 3.35 H new ATOM 0 HG23 VAL A 71 4.464 11.969 -0.783 1.00 3.35 H new ATOM 1113 N GLN A 72 5.828 8.336 -3.363 1.00 40.51 N ATOM 1114 CA GLN A 72 5.137 7.112 -3.751 1.00 45.33 C ATOM 1115 C GLN A 72 5.795 6.480 -4.973 1.00 45.24 C ATOM 1116 O GLN A 72 5.116 6.081 -5.920 1.00 65.42 O ATOM 1117 CB GLN A 72 3.665 7.403 -4.044 1.00 15.43 C ATOM 1118 CG GLN A 72 2.726 6.290 -3.606 1.00 50.43 C ATOM 1119 CD GLN A 72 1.783 6.723 -2.501 1.00 55.13 C ATOM 1120 OE1 GLN A 72 0.633 7.084 -2.756 1.00 62.04 O ATOM 1121 NE2 GLN A 72 2.264 6.689 -1.264 1.00 41.23 N ATOM 0 H GLN A 72 6.603 8.595 -3.974 1.00 40.51 H new ATOM 0 HA GLN A 72 5.203 6.409 -2.921 1.00 45.33 H new ATOM 0 HB2 GLN A 72 3.379 8.327 -3.542 1.00 15.43 H new ATOM 0 HB3 GLN A 72 3.542 7.571 -5.114 1.00 15.43 H new ATOM 0 HG2 GLN A 72 2.144 5.952 -4.464 1.00 50.43 H new ATOM 0 HG3 GLN A 72 3.313 5.438 -3.264 1.00 50.43 H new ATOM 0 HE21 GLN A 72 3.223 6.383 -1.098 1.00 41.23 H new ATOM 0 HE22 GLN A 72 1.675 6.969 -0.480 1.00 41.23 H new ATOM 1130 N LEU A 73 7.121 6.393 -4.947 1.00 13.03 N ATOM 1131 CA LEU A 73 7.872 5.809 -6.053 1.00 55.40 C ATOM 1132 C LEU A 73 7.472 6.448 -7.379 1.00 75.13 C ATOM 1133 O LEU A 73 7.350 5.766 -8.398 1.00 14.33 O ATOM 1134 CB LEU A 73 7.641 4.298 -6.111 1.00 55.41 C ATOM 1135 CG LEU A 73 8.009 3.514 -4.851 1.00 52.22 C ATOM 1136 CD1 LEU A 73 9.312 4.032 -4.262 1.00 71.42 C ATOM 1137 CD2 LEU A 73 6.888 3.596 -3.825 1.00 51.32 C ATOM 0 H LEU A 73 7.698 6.720 -4.172 1.00 13.03 H new ATOM 0 HA LEU A 73 8.931 6.001 -5.883 1.00 55.40 H new ATOM 0 HB2 LEU A 73 6.588 4.120 -6.331 1.00 55.41 H new ATOM 0 HB3 LEU A 73 8.214 3.895 -6.946 1.00 55.41 H new ATOM 0 HG LEU A 73 8.148 2.468 -5.125 1.00 52.22 H new ATOM 0 HD11 LEU A 73 9.558 3.462 -3.366 1.00 71.42 H new ATOM 0 HD12 LEU A 73 10.112 3.920 -4.994 1.00 71.42 H new ATOM 0 HD13 LEU A 73 9.201 5.085 -4.003 1.00 71.42 H new ATOM 0 HD21 LEU A 73 7.167 3.032 -2.935 1.00 51.32 H new ATOM 0 HD22 LEU A 73 6.717 4.638 -3.556 1.00 51.32 H new ATOM 0 HD23 LEU A 73 5.976 3.176 -4.249 1.00 51.32 H new ATOM 1149 N THR A 74 7.270 7.762 -7.361 1.00 21.12 N ATOM 1150 CA THR A 74 6.885 8.493 -8.561 1.00 41.13 C ATOM 1151 C THR A 74 8.081 8.705 -9.483 1.00 74.22 C ATOM 1152 O THR A 74 7.922 8.907 -10.688 1.00 33.04 O ATOM 1153 CB THR A 74 6.271 9.862 -8.213 1.00 3.13 C ATOM 1154 OG1 THR A 74 5.177 9.692 -7.305 1.00 60.40 O ATOM 1155 CG2 THR A 74 5.790 10.575 -9.468 1.00 34.45 C ATOM 0 H THR A 74 7.367 8.342 -6.527 1.00 21.12 H new ATOM 0 HA THR A 74 6.137 7.888 -9.073 1.00 41.13 H new ATOM 0 HB THR A 74 7.042 10.472 -7.742 1.00 3.13 H new ATOM 0 HG1 THR A 74 4.793 10.567 -7.087 1.00 60.40 H new ATOM 0 HG21 THR A 74 5.360 11.539 -9.197 1.00 34.45 H new ATOM 0 HG22 THR A 74 6.631 10.730 -10.144 1.00 34.45 H new ATOM 0 HG23 THR A 74 5.033 9.967 -9.964 1.00 34.45 H new ATOM 1163 N THR A 75 9.280 8.657 -8.911 1.00 35.43 N ATOM 1164 CA THR A 75 10.502 8.844 -9.681 1.00 64.40 C ATOM 1165 C THR A 75 10.664 7.749 -10.730 1.00 3.22 C ATOM 1166 O THR A 75 10.937 8.030 -11.898 1.00 22.22 O ATOM 1167 CB THR A 75 11.744 8.853 -8.770 1.00 4.51 C ATOM 1168 OG1 THR A 75 11.927 7.563 -8.177 1.00 2.02 O ATOM 1169 CG2 THR A 75 11.606 9.904 -7.678 1.00 64.03 C ATOM 0 H THR A 75 9.430 8.490 -7.916 1.00 35.43 H new ATOM 0 HA THR A 75 10.417 9.810 -10.178 1.00 64.40 H new ATOM 0 HB THR A 75 12.613 9.098 -9.381 1.00 4.51 H new ATOM 0 HG1 THR A 75 11.676 7.600 -7.230 1.00 2.02 H new ATOM 0 HG21 THR A 75 12.495 9.892 -7.047 1.00 64.03 H new ATOM 0 HG22 THR A 75 11.497 10.889 -8.132 1.00 64.03 H new ATOM 0 HG23 THR A 75 10.727 9.685 -7.071 1.00 64.03 H new ATOM 1177 N LEU A 76 10.494 6.501 -10.307 1.00 41.50 N ATOM 1178 CA LEU A 76 10.621 5.363 -11.211 1.00 13.41 C ATOM 1179 C LEU A 76 9.414 5.269 -12.140 1.00 24.13 C ATOM 1180 O LEU A 76 9.556 5.009 -13.335 1.00 31.53 O ATOM 1181 CB LEU A 76 10.767 4.067 -10.413 1.00 31.23 C ATOM 1182 CG LEU A 76 12.184 3.502 -10.304 1.00 75.41 C ATOM 1183 CD1 LEU A 76 12.806 3.874 -8.967 1.00 52.03 C ATOM 1184 CD2 LEU A 76 12.170 1.991 -10.486 1.00 24.22 C ATOM 0 H LEU A 76 10.268 6.252 -9.344 1.00 41.50 H new ATOM 0 HA LEU A 76 11.514 5.510 -11.819 1.00 13.41 H new ATOM 0 HB2 LEU A 76 10.388 4.239 -9.406 1.00 31.23 H new ATOM 0 HB3 LEU A 76 10.129 3.309 -10.869 1.00 31.23 H new ATOM 0 HG LEU A 76 12.791 3.938 -11.097 1.00 75.41 H new ATOM 0 HD11 LEU A 76 13.814 3.463 -8.908 1.00 52.03 H new ATOM 0 HD12 LEU A 76 12.850 4.959 -8.876 1.00 52.03 H new ATOM 0 HD13 LEU A 76 12.200 3.466 -8.158 1.00 52.03 H new ATOM 0 HD21 LEU A 76 13.186 1.605 -10.406 1.00 24.22 H new ATOM 0 HD22 LEU A 76 11.548 1.537 -9.715 1.00 24.22 H new ATOM 0 HD23 LEU A 76 11.766 1.747 -11.468 1.00 24.22 H new ATOM 1196 N LYS A 77 8.227 5.484 -11.583 1.00 3.30 N ATOM 1197 CA LYS A 77 6.995 5.427 -12.361 1.00 3.33 C ATOM 1198 C LYS A 77 6.985 6.502 -13.443 1.00 62.34 C ATOM 1199 O LYS A 77 6.525 6.265 -14.560 1.00 3.21 O ATOM 1200 CB LYS A 77 5.781 5.600 -11.445 1.00 24.32 C ATOM 1201 CG LYS A 77 4.780 4.462 -11.542 1.00 30.23 C ATOM 1202 CD LYS A 77 5.390 3.143 -11.098 1.00 61.22 C ATOM 1203 CE LYS A 77 5.809 3.186 -9.637 1.00 32.24 C ATOM 1204 NZ LYS A 77 7.280 3.018 -9.476 1.00 33.21 N ATOM 0 H LYS A 77 8.092 5.699 -10.595 1.00 3.30 H new ATOM 0 HA LYS A 77 6.944 4.451 -12.843 1.00 3.33 H new ATOM 0 HB2 LYS A 77 6.123 5.685 -10.414 1.00 24.32 H new ATOM 0 HB3 LYS A 77 5.280 6.536 -11.692 1.00 24.32 H new ATOM 0 HG2 LYS A 77 3.910 4.688 -10.925 1.00 30.23 H new ATOM 0 HG3 LYS A 77 4.427 4.373 -12.570 1.00 30.23 H new ATOM 0 HD2 LYS A 77 4.669 2.339 -11.247 1.00 61.22 H new ATOM 0 HD3 LYS A 77 6.256 2.914 -11.719 1.00 61.22 H new ATOM 0 HE2 LYS A 77 5.502 4.136 -9.199 1.00 32.24 H new ATOM 0 HE3 LYS A 77 5.291 2.400 -9.088 1.00 32.24 H new ATOM 0 HZ1 LYS A 77 7.474 2.147 -8.941 1.00 33.21 H new ATOM 0 HZ2 LYS A 77 7.727 2.956 -10.413 1.00 33.21 H new ATOM 0 HZ3 LYS A 77 7.668 3.834 -8.961 1.00 33.21 H new ATOM 1218 N GLU A 78 7.496 7.681 -13.105 1.00 44.32 N ATOM 1219 CA GLU A 78 7.546 8.791 -14.050 1.00 70.21 C ATOM 1220 C GLU A 78 8.634 8.567 -15.096 1.00 23.50 C ATOM 1221 O GLU A 78 8.560 9.091 -16.207 1.00 52.22 O ATOM 1222 CB GLU A 78 7.796 10.108 -13.312 1.00 62.40 C ATOM 1223 CG GLU A 78 7.726 11.331 -14.210 1.00 14.43 C ATOM 1224 CD GLU A 78 7.211 12.559 -13.483 1.00 44.01 C ATOM 1225 OE1 GLU A 78 5.992 12.626 -13.223 1.00 54.23 O ATOM 1226 OE2 GLU A 78 8.028 13.452 -13.175 1.00 13.13 O ATOM 0 H GLU A 78 7.881 7.893 -12.185 1.00 44.32 H new ATOM 0 HA GLU A 78 6.583 8.845 -14.558 1.00 70.21 H new ATOM 0 HB2 GLU A 78 7.062 10.212 -12.513 1.00 62.40 H new ATOM 0 HB3 GLU A 78 8.778 10.070 -12.840 1.00 62.40 H new ATOM 0 HG2 GLU A 78 8.718 11.540 -14.611 1.00 14.43 H new ATOM 0 HG3 GLU A 78 7.077 11.117 -15.059 1.00 14.43 H new ATOM 1233 N ASP A 79 9.644 7.784 -14.732 1.00 3.44 N ATOM 1234 CA ASP A 79 10.748 7.490 -15.638 1.00 24.55 C ATOM 1235 C ASP A 79 10.335 6.455 -16.680 1.00 13.32 C ATOM 1236 O ASP A 79 10.547 6.648 -17.877 1.00 62.44 O ATOM 1237 CB ASP A 79 11.960 6.984 -14.852 1.00 55.01 C ATOM 1238 CG ASP A 79 12.913 8.101 -14.477 1.00 24.02 C ATOM 1239 OD1 ASP A 79 13.392 8.805 -15.391 1.00 10.23 O ATOM 1240 OD2 ASP A 79 13.181 8.271 -13.269 1.00 52.51 O ATOM 0 H ASP A 79 9.721 7.342 -13.816 1.00 3.44 H new ATOM 0 HA ASP A 79 11.017 8.412 -16.154 1.00 24.55 H new ATOM 0 HB2 ASP A 79 11.619 6.482 -13.947 1.00 55.01 H new ATOM 0 HB3 ASP A 79 12.491 6.241 -15.447 1.00 55.01 H new ATOM 1245 N ILE A 80 9.745 5.359 -16.216 1.00 73.21 N ATOM 1246 CA ILE A 80 9.302 4.295 -17.108 1.00 73.24 C ATOM 1247 C ILE A 80 8.240 4.799 -18.080 1.00 70.41 C ATOM 1248 O ILE A 80 8.262 4.468 -19.266 1.00 20.33 O ATOM 1249 CB ILE A 80 8.734 3.099 -16.321 1.00 5.14 C ATOM 1250 CG1 ILE A 80 8.245 2.014 -17.281 1.00 74.42 C ATOM 1251 CG2 ILE A 80 7.606 3.554 -15.407 1.00 42.10 C ATOM 1252 CD1 ILE A 80 9.334 1.458 -18.171 1.00 62.12 C ATOM 0 H ILE A 80 9.563 5.185 -15.228 1.00 73.21 H new ATOM 0 HA ILE A 80 10.178 3.968 -17.667 1.00 73.24 H new ATOM 0 HB ILE A 80 9.528 2.679 -15.704 1.00 5.14 H new ATOM 0 HG12 ILE A 80 7.808 1.199 -16.703 1.00 74.42 H new ATOM 0 HG13 ILE A 80 7.451 2.424 -17.905 1.00 74.42 H new ATOM 0 HG21 ILE A 80 7.215 2.698 -14.858 1.00 42.10 H new ATOM 0 HG22 ILE A 80 7.985 4.295 -14.703 1.00 42.10 H new ATOM 0 HG23 ILE A 80 6.809 3.996 -16.005 1.00 42.10 H new ATOM 0 HD11 ILE A 80 8.914 0.694 -18.825 1.00 62.12 H new ATOM 0 HD12 ILE A 80 9.755 2.261 -18.775 1.00 62.12 H new ATOM 0 HD13 ILE A 80 10.118 1.018 -17.555 1.00 62.12 H new ATOM 1264 N ARG A 81 7.312 5.602 -17.570 1.00 44.10 N ATOM 1265 CA ARG A 81 6.242 6.153 -18.393 1.00 22.32 C ATOM 1266 C ARG A 81 6.795 7.148 -19.408 1.00 53.54 C ATOM 1267 O ARG A 81 6.265 7.285 -20.512 1.00 71.31 O ATOM 1268 CB ARG A 81 5.193 6.835 -17.513 1.00 32.50 C ATOM 1269 CG ARG A 81 5.628 8.192 -16.987 1.00 4.33 C ATOM 1270 CD ARG A 81 4.541 8.837 -16.141 1.00 23.21 C ATOM 1271 NE ARG A 81 3.307 9.037 -16.896 1.00 3.44 N ATOM 1272 CZ ARG A 81 2.168 9.444 -16.347 1.00 10.02 C ATOM 1273 NH1 ARG A 81 2.107 9.692 -15.046 1.00 14.41 N ATOM 1274 NH2 ARG A 81 1.087 9.603 -17.100 1.00 1.42 N ATOM 0 H ARG A 81 7.279 5.886 -16.591 1.00 44.10 H new ATOM 0 HA ARG A 81 5.773 5.331 -18.934 1.00 22.32 H new ATOM 0 HB2 ARG A 81 4.273 6.955 -18.086 1.00 32.50 H new ATOM 0 HB3 ARG A 81 4.961 6.185 -16.669 1.00 32.50 H new ATOM 0 HG2 ARG A 81 6.534 8.079 -16.392 1.00 4.33 H new ATOM 0 HG3 ARG A 81 5.875 8.845 -17.824 1.00 4.33 H new ATOM 0 HD2 ARG A 81 4.337 8.210 -15.273 1.00 23.21 H new ATOM 0 HD3 ARG A 81 4.896 9.797 -15.765 1.00 23.21 H new ATOM 0 HE ARG A 81 3.321 8.854 -17.899 1.00 3.44 H new ATOM 0 HH11 ARG A 81 2.936 9.570 -14.464 1.00 14.41 H new ATOM 0 HH12 ARG A 81 1.231 10.004 -14.627 1.00 14.41 H new ATOM 0 HH21 ARG A 81 1.130 9.413 -18.101 1.00 1.42 H new ATOM 0 HH22 ARG A 81 0.213 9.916 -16.678 1.00 1.42 H new ATOM 1288 N LEU A 82 7.862 7.843 -19.028 1.00 73.43 N ATOM 1289 CA LEU A 82 8.486 8.827 -19.905 1.00 64.24 C ATOM 1290 C LEU A 82 9.008 8.168 -21.178 1.00 43.24 C ATOM 1291 O LEU A 82 8.860 8.709 -22.274 1.00 72.40 O ATOM 1292 CB LEU A 82 9.631 9.534 -19.177 1.00 71.04 C ATOM 1293 CG LEU A 82 10.326 10.656 -19.950 1.00 31.04 C ATOM 1294 CD1 LEU A 82 11.349 10.083 -20.918 1.00 2.12 C ATOM 1295 CD2 LEU A 82 9.304 11.505 -20.691 1.00 41.24 C ATOM 0 H LEU A 82 8.313 7.743 -18.118 1.00 73.43 H new ATOM 0 HA LEU A 82 7.730 9.562 -20.182 1.00 64.24 H new ATOM 0 HB2 LEU A 82 9.243 9.947 -18.246 1.00 71.04 H new ATOM 0 HB3 LEU A 82 10.379 8.788 -18.907 1.00 71.04 H new ATOM 0 HG LEU A 82 10.849 11.293 -19.237 1.00 31.04 H new ATOM 0 HD11 LEU A 82 11.833 10.896 -21.459 1.00 2.12 H new ATOM 0 HD12 LEU A 82 12.099 9.519 -20.363 1.00 2.12 H new ATOM 0 HD13 LEU A 82 10.849 9.423 -21.627 1.00 2.12 H new ATOM 0 HD21 LEU A 82 9.816 12.298 -21.235 1.00 41.24 H new ATOM 0 HD22 LEU A 82 8.753 10.880 -21.394 1.00 41.24 H new ATOM 0 HD23 LEU A 82 8.610 11.946 -19.976 1.00 41.24 H new ATOM 1307 N MET A 83 9.618 6.997 -21.026 1.00 0.35 N ATOM 1308 CA MET A 83 10.159 6.263 -22.164 1.00 13.32 C ATOM 1309 C MET A 83 9.048 5.862 -23.129 1.00 51.33 C ATOM 1310 O MET A 83 9.108 6.166 -24.321 1.00 32.02 O ATOM 1311 CB MET A 83 10.909 5.019 -21.686 1.00 32.34 C ATOM 1312 CG MET A 83 11.924 5.304 -20.591 1.00 0.11 C ATOM 1313 SD MET A 83 12.937 3.867 -20.192 1.00 5.34 S ATOM 1314 CE MET A 83 11.680 2.603 -20.020 1.00 41.23 C ATOM 0 H MET A 83 9.750 6.536 -20.126 1.00 0.35 H new ATOM 0 HA MET A 83 10.854 6.917 -22.690 1.00 13.32 H new ATOM 0 HB2 MET A 83 10.188 4.288 -21.320 1.00 32.34 H new ATOM 0 HB3 MET A 83 11.420 4.565 -22.535 1.00 32.34 H new ATOM 0 HG2 MET A 83 12.570 6.124 -20.905 1.00 0.11 H new ATOM 0 HG3 MET A 83 11.401 5.636 -19.694 1.00 0.11 H new ATOM 0 HE1 MET A 83 11.909 1.977 -19.158 1.00 41.23 H new ATOM 0 HE2 MET A 83 10.707 3.074 -19.878 1.00 41.23 H new ATOM 0 HE3 MET A 83 11.657 1.988 -20.919 1.00 41.23 H new ATOM 1324 N VAL A 84 8.035 5.178 -22.608 1.00 32.15 N ATOM 1325 CA VAL A 84 6.910 4.736 -23.423 1.00 60.03 C ATOM 1326 C VAL A 84 6.168 5.924 -24.026 1.00 65.44 C ATOM 1327 O VAL A 84 5.567 5.815 -25.094 1.00 13.41 O ATOM 1328 CB VAL A 84 5.919 3.889 -22.602 1.00 44.51 C ATOM 1329 CG1 VAL A 84 5.421 4.671 -21.396 1.00 24.33 C ATOM 1330 CG2 VAL A 84 4.756 3.438 -23.472 1.00 63.23 C ATOM 0 H VAL A 84 7.970 4.918 -21.624 1.00 32.15 H new ATOM 0 HA VAL A 84 7.322 4.123 -24.225 1.00 60.03 H new ATOM 0 HB VAL A 84 6.438 3.001 -22.241 1.00 44.51 H new ATOM 0 HG11 VAL A 84 4.722 4.057 -20.828 1.00 24.33 H new ATOM 0 HG12 VAL A 84 6.266 4.940 -20.762 1.00 24.33 H new ATOM 0 HG13 VAL A 84 4.917 5.577 -21.733 1.00 24.33 H new ATOM 0 HG21 VAL A 84 4.066 2.841 -22.876 1.00 63.23 H new ATOM 0 HG22 VAL A 84 4.235 4.311 -23.864 1.00 63.23 H new ATOM 0 HG23 VAL A 84 5.133 2.838 -24.300 1.00 63.23 H new ATOM 1340 N ASN A 85 6.217 7.058 -23.335 1.00 32.42 N ATOM 1341 CA ASN A 85 5.549 8.267 -23.802 1.00 42.03 C ATOM 1342 C ASN A 85 6.178 8.769 -25.099 1.00 34.22 C ATOM 1343 O ASN A 85 5.475 9.107 -26.051 1.00 23.53 O ATOM 1344 CB ASN A 85 5.619 9.359 -22.733 1.00 32.13 C ATOM 1345 CG ASN A 85 4.565 9.182 -21.656 1.00 62.14 C ATOM 1346 OD1 ASN A 85 3.488 8.642 -21.909 1.00 41.04 O ATOM 1347 ND2 ASN A 85 4.872 9.638 -20.448 1.00 22.45 N ATOM 0 H ASN A 85 6.712 7.165 -22.450 1.00 32.42 H new ATOM 0 HA ASN A 85 4.504 8.023 -23.995 1.00 42.03 H new ATOM 0 HB2 ASN A 85 6.608 9.352 -22.275 1.00 32.13 H new ATOM 0 HB3 ASN A 85 5.493 10.334 -23.204 1.00 32.13 H new ATOM 0 HD21 ASN A 85 4.203 9.548 -19.683 1.00 22.45 H new ATOM 0 HD22 ASN A 85 5.777 10.079 -20.284 1.00 22.45 H new ATOM 1354 N ASN A 86 7.506 8.814 -25.128 1.00 34.14 N ATOM 1355 CA ASN A 86 8.229 9.274 -26.307 1.00 44.21 C ATOM 1356 C ASN A 86 8.172 8.233 -27.421 1.00 51.42 C ATOM 1357 O ASN A 86 8.158 8.576 -28.604 1.00 74.32 O ATOM 1358 CB ASN A 86 9.686 9.577 -25.951 1.00 64.22 C ATOM 1359 CG ASN A 86 10.232 10.769 -26.713 1.00 61.25 C ATOM 1360 OD1 ASN A 86 11.097 10.624 -27.578 1.00 34.00 O ATOM 1361 ND2 ASN A 86 9.728 11.956 -26.395 1.00 63.51 N ATOM 0 H ASN A 86 8.103 8.537 -24.348 1.00 34.14 H new ATOM 0 HA ASN A 86 7.751 10.187 -26.662 1.00 44.21 H new ATOM 0 HB2 ASN A 86 9.763 9.767 -24.881 1.00 64.22 H new ATOM 0 HB3 ASN A 86 10.299 8.701 -26.164 1.00 64.22 H new ATOM 0 HD21 ASN A 86 10.056 12.794 -26.874 1.00 63.51 H new ATOM 0 HD22 ASN A 86 9.013 12.029 -25.672 1.00 63.51 H new ATOM 1368 N CYS A 87 8.138 6.963 -27.035 1.00 25.00 N ATOM 1369 CA CYS A 87 8.083 5.871 -28.001 1.00 14.41 C ATOM 1370 C CYS A 87 6.776 5.908 -28.787 1.00 62.43 C ATOM 1371 O CYS A 87 6.772 6.167 -29.991 1.00 61.41 O ATOM 1372 CB CYS A 87 8.227 4.525 -27.289 1.00 55.35 C ATOM 1373 SG CYS A 87 9.873 4.224 -26.606 1.00 63.35 S ATOM 0 H CYS A 87 8.148 6.663 -26.060 1.00 25.00 H new ATOM 0 HA CYS A 87 8.910 5.993 -28.700 1.00 14.41 H new ATOM 0 HB2 CYS A 87 7.496 4.473 -26.483 1.00 55.35 H new ATOM 0 HB3 CYS A 87 7.985 3.727 -27.991 1.00 55.35 H new ATOM 0 HG CYS A 87 10.015 4.896 -25.502 1.00 63.35 H new ATOM 1379 N ILE A 88 5.670 5.645 -28.099 1.00 62.03 N ATOM 1380 CA ILE A 88 4.358 5.647 -28.734 1.00 10.12 C ATOM 1381 C ILE A 88 4.099 6.965 -29.457 1.00 31.45 C ATOM 1382 O ILE A 88 3.382 7.006 -30.458 1.00 24.04 O ATOM 1383 CB ILE A 88 3.236 5.409 -27.707 1.00 34.35 C ATOM 1384 CG1 ILE A 88 3.193 6.552 -26.691 1.00 15.30 C ATOM 1385 CG2 ILE A 88 3.437 4.075 -27.002 1.00 55.14 C ATOM 1386 CD1 ILE A 88 2.083 7.548 -26.949 1.00 23.02 C ATOM 0 H ILE A 88 5.656 5.428 -27.102 1.00 62.03 H new ATOM 0 HA ILE A 88 4.356 4.832 -29.458 1.00 10.12 H new ATOM 0 HB ILE A 88 2.282 5.380 -28.234 1.00 34.35 H new ATOM 0 HG12 ILE A 88 3.071 6.135 -25.692 1.00 15.30 H new ATOM 0 HG13 ILE A 88 4.149 7.075 -26.703 1.00 15.30 H new ATOM 0 HG21 ILE A 88 2.636 3.921 -26.279 1.00 55.14 H new ATOM 0 HG22 ILE A 88 3.423 3.270 -27.736 1.00 55.14 H new ATOM 0 HG23 ILE A 88 4.397 4.078 -26.485 1.00 55.14 H new ATOM 0 HD11 ILE A 88 2.113 8.330 -26.191 1.00 23.02 H new ATOM 0 HD12 ILE A 88 2.216 7.993 -27.935 1.00 23.02 H new ATOM 0 HD13 ILE A 88 1.120 7.039 -26.907 1.00 23.02 H new ATOM 1398 N LEU A 89 4.688 8.040 -28.944 1.00 74.41 N ATOM 1399 CA LEU A 89 4.523 9.360 -29.542 1.00 15.24 C ATOM 1400 C LEU A 89 5.352 9.489 -30.815 1.00 5.42 C ATOM 1401 O LEU A 89 4.878 10.003 -31.828 1.00 42.51 O ATOM 1402 CB LEU A 89 4.926 10.447 -28.544 1.00 10.23 C ATOM 1403 CG LEU A 89 4.723 11.891 -29.005 1.00 64.24 C ATOM 1404 CD1 LEU A 89 4.492 12.805 -27.812 1.00 54.15 C ATOM 1405 CD2 LEU A 89 5.920 12.364 -29.818 1.00 21.23 C ATOM 0 H LEU A 89 5.284 8.023 -28.116 1.00 74.41 H new ATOM 0 HA LEU A 89 3.472 9.485 -29.802 1.00 15.24 H new ATOM 0 HB2 LEU A 89 4.359 10.297 -27.625 1.00 10.23 H new ATOM 0 HB3 LEU A 89 5.978 10.311 -28.295 1.00 10.23 H new ATOM 0 HG LEU A 89 3.839 11.928 -29.641 1.00 64.24 H new ATOM 0 HD11 LEU A 89 4.350 13.828 -28.160 1.00 54.15 H new ATOM 0 HD12 LEU A 89 3.604 12.479 -27.270 1.00 54.15 H new ATOM 0 HD13 LEU A 89 5.357 12.764 -27.149 1.00 54.15 H new ATOM 0 HD21 LEU A 89 5.759 13.393 -30.138 1.00 21.23 H new ATOM 0 HD22 LEU A 89 6.820 12.311 -29.205 1.00 21.23 H new ATOM 0 HD23 LEU A 89 6.040 11.726 -30.694 1.00 21.23 H new ATOM 1417 N PHE A 90 6.593 9.018 -30.756 1.00 65.34 N ATOM 1418 CA PHE A 90 7.490 9.079 -31.905 1.00 54.22 C ATOM 1419 C PHE A 90 6.818 8.507 -33.150 1.00 61.41 C ATOM 1420 O PHE A 90 7.120 8.911 -34.272 1.00 74.32 O ATOM 1421 CB PHE A 90 8.782 8.315 -31.612 1.00 62.20 C ATOM 1422 CG PHE A 90 9.872 8.574 -32.612 1.00 41.35 C ATOM 1423 CD1 PHE A 90 10.757 9.625 -32.436 1.00 2.54 C ATOM 1424 CD2 PHE A 90 10.011 7.767 -33.730 1.00 42.21 C ATOM 1425 CE1 PHE A 90 11.761 9.867 -33.354 1.00 65.21 C ATOM 1426 CE2 PHE A 90 11.014 8.003 -34.652 1.00 13.43 C ATOM 1427 CZ PHE A 90 11.889 9.055 -34.464 1.00 41.21 C ATOM 0 H PHE A 90 7.001 8.590 -29.925 1.00 65.34 H new ATOM 0 HA PHE A 90 7.730 10.126 -32.092 1.00 54.22 H new ATOM 0 HB2 PHE A 90 9.139 8.588 -30.619 1.00 62.20 H new ATOM 0 HB3 PHE A 90 8.566 7.247 -31.591 1.00 62.20 H new ATOM 0 HD1 PHE A 90 10.661 10.263 -31.570 1.00 2.54 H new ATOM 0 HD2 PHE A 90 9.328 6.944 -33.883 1.00 42.21 H new ATOM 0 HE1 PHE A 90 12.444 10.690 -33.204 1.00 65.21 H new ATOM 0 HE2 PHE A 90 11.113 7.366 -35.518 1.00 13.43 H new ATOM 0 HZ PHE A 90 12.672 9.242 -35.184 1.00 41.21 H new ATOM 1437 N ASN A 91 5.906 7.562 -32.942 1.00 3.31 N ATOM 1438 CA ASN A 91 5.192 6.932 -34.047 1.00 3.54 C ATOM 1439 C ASN A 91 4.085 6.020 -33.529 1.00 14.03 C ATOM 1440 O ASN A 91 3.008 5.938 -34.118 1.00 33.43 O ATOM 1441 CB ASN A 91 6.162 6.132 -34.918 1.00 23.22 C ATOM 1442 CG ASN A 91 5.639 5.926 -36.326 1.00 61.52 C ATOM 1443 OD1 ASN A 91 6.139 6.522 -37.280 1.00 4.43 O ATOM 1444 ND2 ASN A 91 4.627 5.077 -36.463 1.00 12.02 N ATOM 0 H ASN A 91 5.644 7.216 -32.019 1.00 3.31 H new ATOM 0 HA ASN A 91 4.738 7.719 -34.649 1.00 3.54 H new ATOM 0 HB2 ASN A 91 7.120 6.651 -34.961 1.00 23.22 H new ATOM 0 HB3 ASN A 91 6.346 5.162 -34.456 1.00 23.22 H new ATOM 0 HD21 ASN A 91 4.234 4.897 -37.387 1.00 12.02 H new ATOM 0 HD22 ASN A 91 4.243 4.605 -35.644 1.00 12.02 H new ATOM 1451 N GLY A 92 4.358 5.336 -32.421 1.00 53.34 N ATOM 1452 CA GLY A 92 3.375 4.439 -31.842 1.00 51.31 C ATOM 1453 C GLY A 92 3.920 3.041 -31.631 1.00 73.43 C ATOM 1454 O GLY A 92 3.165 2.068 -31.623 1.00 5.21 O ATOM 0 H GLY A 92 5.242 5.387 -31.915 1.00 53.34 H new ATOM 0 HA2 GLY A 92 3.038 4.842 -30.887 1.00 51.31 H new ATOM 0 HA3 GLY A 92 2.503 4.391 -32.494 1.00 51.31 H new ATOM 1458 N ALA A 93 5.234 2.938 -31.462 1.00 51.32 N ATOM 1459 CA ALA A 93 5.879 1.648 -31.250 1.00 52.53 C ATOM 1460 C ALA A 93 7.363 1.820 -30.944 1.00 52.32 C ATOM 1461 O ALA A 93 7.909 1.141 -30.076 1.00 12.14 O ATOM 1462 CB ALA A 93 5.689 0.757 -32.469 1.00 20.04 C ATOM 0 H ALA A 93 5.873 3.733 -31.468 1.00 51.32 H new ATOM 0 HA ALA A 93 5.410 1.172 -30.389 1.00 52.53 H new ATOM 0 HB1 ALA A 93 6.176 -0.203 -32.297 1.00 20.04 H new ATOM 0 HB2 ALA A 93 4.624 0.599 -32.642 1.00 20.04 H new ATOM 0 HB3 ALA A 93 6.131 1.236 -33.343 1.00 20.04 H new ATOM 1468 N GLU A 94 8.009 2.732 -31.664 1.00 62.02 N ATOM 1469 CA GLU A 94 9.431 2.991 -31.469 1.00 71.33 C ATOM 1470 C GLU A 94 10.258 1.747 -31.780 1.00 60.43 C ATOM 1471 O GLU A 94 11.432 1.663 -31.423 1.00 2.03 O ATOM 1472 CB GLU A 94 9.697 3.447 -30.033 1.00 53.43 C ATOM 1473 CG GLU A 94 11.038 4.139 -29.853 1.00 33.32 C ATOM 1474 CD GLU A 94 12.077 3.238 -29.213 1.00 13.40 C ATOM 1475 OE1 GLU A 94 11.702 2.428 -28.340 1.00 33.11 O ATOM 1476 OE2 GLU A 94 13.264 3.344 -29.585 1.00 1.33 O ATOM 0 H GLU A 94 7.571 3.303 -32.387 1.00 62.02 H new ATOM 0 HA GLU A 94 9.727 3.784 -32.155 1.00 71.33 H new ATOM 0 HB2 GLU A 94 8.903 4.126 -29.723 1.00 53.43 H new ATOM 0 HB3 GLU A 94 9.652 2.582 -29.372 1.00 53.43 H new ATOM 0 HG2 GLU A 94 11.402 4.476 -30.824 1.00 33.32 H new ATOM 0 HG3 GLU A 94 10.904 5.028 -29.237 1.00 33.32 H new ATOM 1483 N GLY A 95 9.635 0.781 -32.449 1.00 61.21 N ATOM 1484 CA GLY A 95 10.327 -0.446 -32.797 1.00 24.43 C ATOM 1485 C GLY A 95 9.814 -1.642 -32.019 1.00 51.02 C ATOM 1486 O GLY A 95 10.261 -2.768 -32.233 1.00 74.44 O ATOM 0 H GLY A 95 8.663 0.827 -32.756 1.00 61.21 H new ATOM 0 HA2 GLY A 95 10.212 -0.634 -33.864 1.00 24.43 H new ATOM 0 HA3 GLY A 95 11.394 -0.324 -32.608 1.00 24.43 H new ATOM 1490 N ALA A 96 8.874 -1.397 -31.113 1.00 14.34 N ATOM 1491 CA ALA A 96 8.299 -2.462 -30.301 1.00 32.22 C ATOM 1492 C ALA A 96 7.274 -1.910 -29.316 1.00 11.10 C ATOM 1493 O ALA A 96 7.524 -1.852 -28.112 1.00 2.12 O ATOM 1494 CB ALA A 96 9.396 -3.211 -29.559 1.00 61.11 C ATOM 0 H ALA A 96 8.494 -0.470 -30.923 1.00 14.34 H new ATOM 0 HA ALA A 96 7.787 -3.156 -30.967 1.00 32.22 H new ATOM 0 HB1 ALA A 96 8.952 -4.004 -28.957 1.00 61.11 H new ATOM 0 HB2 ALA A 96 10.089 -3.647 -30.278 1.00 61.11 H new ATOM 0 HB3 ALA A 96 9.934 -2.520 -28.910 1.00 61.11 H new ATOM 1500 N TYR A 97 6.120 -1.505 -29.835 1.00 43.21 N ATOM 1501 CA TYR A 97 5.058 -0.954 -29.001 1.00 45.03 C ATOM 1502 C TYR A 97 4.761 -1.873 -27.820 1.00 41.32 C ATOM 1503 O TYR A 97 4.332 -1.420 -26.760 1.00 4.55 O ATOM 1504 CB TYR A 97 3.790 -0.742 -29.829 1.00 13.11 C ATOM 1505 CG TYR A 97 3.063 -2.025 -30.163 1.00 64.14 C ATOM 1506 CD1 TYR A 97 3.511 -2.853 -31.186 1.00 31.34 C ATOM 1507 CD2 TYR A 97 1.929 -2.409 -29.458 1.00 65.14 C ATOM 1508 CE1 TYR A 97 2.850 -4.026 -31.495 1.00 62.44 C ATOM 1509 CE2 TYR A 97 1.263 -3.581 -29.760 1.00 64.03 C ATOM 1510 CZ TYR A 97 1.727 -4.386 -30.780 1.00 24.14 C ATOM 1511 OH TYR A 97 1.066 -5.554 -31.084 1.00 51.33 O ATOM 0 H TYR A 97 5.896 -1.548 -30.829 1.00 43.21 H new ATOM 0 HA TYR A 97 5.396 0.007 -28.614 1.00 45.03 H new ATOM 0 HB2 TYR A 97 3.115 -0.084 -29.282 1.00 13.11 H new ATOM 0 HB3 TYR A 97 4.052 -0.231 -30.755 1.00 13.11 H new ATOM 0 HD1 TYR A 97 4.390 -2.575 -31.748 1.00 31.34 H new ATOM 0 HD2 TYR A 97 1.562 -1.780 -28.660 1.00 65.14 H new ATOM 0 HE1 TYR A 97 3.211 -4.658 -32.293 1.00 62.44 H new ATOM 0 HE2 TYR A 97 0.384 -3.866 -29.201 1.00 64.03 H new ATOM 0 HH TYR A 97 0.297 -5.660 -30.486 1.00 51.33 H new ATOM 1521 N ALA A 98 4.993 -3.167 -28.013 1.00 20.10 N ATOM 1522 CA ALA A 98 4.753 -4.151 -26.964 1.00 42.42 C ATOM 1523 C ALA A 98 5.807 -4.051 -25.867 1.00 1.34 C ATOM 1524 O ALA A 98 5.495 -4.165 -24.681 1.00 62.01 O ATOM 1525 CB ALA A 98 4.731 -5.554 -27.552 1.00 4.14 C ATOM 0 H ALA A 98 5.347 -3.559 -28.886 1.00 20.10 H new ATOM 0 HA ALA A 98 3.781 -3.941 -26.518 1.00 42.42 H new ATOM 0 HB1 ALA A 98 4.551 -6.279 -26.758 1.00 4.14 H new ATOM 0 HB2 ALA A 98 3.936 -5.625 -28.295 1.00 4.14 H new ATOM 0 HB3 ALA A 98 5.690 -5.765 -28.025 1.00 4.14 H new ATOM 1531 N ASP A 99 7.055 -3.838 -26.269 1.00 1.20 N ATOM 1532 CA ASP A 99 8.156 -3.722 -25.319 1.00 75.31 C ATOM 1533 C ASP A 99 7.854 -2.661 -24.265 1.00 65.31 C ATOM 1534 O ASP A 99 8.063 -2.881 -23.072 1.00 53.33 O ATOM 1535 CB ASP A 99 9.454 -3.379 -26.050 1.00 4.20 C ATOM 1536 CG ASP A 99 10.127 -4.602 -26.641 1.00 72.05 C ATOM 1537 OD1 ASP A 99 9.598 -5.718 -26.455 1.00 3.34 O ATOM 1538 OD2 ASP A 99 11.182 -4.444 -27.291 1.00 2.24 O ATOM 0 H ASP A 99 7.330 -3.742 -27.247 1.00 1.20 H new ATOM 0 HA ASP A 99 8.274 -4.683 -24.818 1.00 75.31 H new ATOM 0 HB2 ASP A 99 9.242 -2.665 -26.846 1.00 4.20 H new ATOM 0 HB3 ASP A 99 10.139 -2.890 -25.357 1.00 4.20 H new ATOM 1543 N ALA A 100 7.364 -1.511 -24.714 1.00 45.54 N ATOM 1544 CA ALA A 100 7.034 -0.416 -23.810 1.00 61.02 C ATOM 1545 C ALA A 100 5.832 -0.767 -22.940 1.00 3.14 C ATOM 1546 O ALA A 100 5.752 -0.357 -21.782 1.00 52.01 O ATOM 1547 CB ALA A 100 6.763 0.857 -24.599 1.00 23.41 C ATOM 0 H ALA A 100 7.187 -1.313 -25.699 1.00 45.54 H new ATOM 0 HA ALA A 100 7.888 -0.249 -23.154 1.00 61.02 H new ATOM 0 HB1 ALA A 100 6.518 1.666 -23.911 1.00 23.41 H new ATOM 0 HB2 ALA A 100 7.650 1.125 -25.173 1.00 23.41 H new ATOM 0 HB3 ALA A 100 5.927 0.693 -25.279 1.00 23.41 H new ATOM 1553 N ALA A 101 4.900 -1.527 -23.504 1.00 61.34 N ATOM 1554 CA ALA A 101 3.703 -1.934 -22.779 1.00 22.12 C ATOM 1555 C ALA A 101 4.038 -2.955 -21.697 1.00 33.22 C ATOM 1556 O ALA A 101 3.498 -2.902 -20.591 1.00 41.45 O ATOM 1557 CB ALA A 101 2.670 -2.501 -23.741 1.00 71.10 C ATOM 0 H ALA A 101 4.951 -1.874 -24.462 1.00 61.34 H new ATOM 0 HA ALA A 101 3.285 -1.052 -22.293 1.00 22.12 H new ATOM 0 HB1 ALA A 101 1.781 -2.801 -23.185 1.00 71.10 H new ATOM 0 HB2 ALA A 101 2.400 -1.741 -24.474 1.00 71.10 H new ATOM 0 HB3 ALA A 101 3.087 -3.368 -24.253 1.00 71.10 H new ATOM 1563 N ARG A 102 4.930 -3.885 -22.022 1.00 51.34 N ATOM 1564 CA ARG A 102 5.334 -4.919 -21.078 1.00 65.43 C ATOM 1565 C ARG A 102 6.148 -4.323 -19.934 1.00 4.13 C ATOM 1566 O ARG A 102 5.845 -4.543 -18.761 1.00 22.15 O ATOM 1567 CB ARG A 102 6.152 -5.999 -21.791 1.00 15.31 C ATOM 1568 CG ARG A 102 6.131 -7.344 -21.084 1.00 74.34 C ATOM 1569 CD ARG A 102 4.730 -7.935 -21.052 1.00 14.43 C ATOM 1570 NE ARG A 102 4.725 -9.306 -20.550 1.00 1.05 N ATOM 1571 CZ ARG A 102 5.070 -10.358 -21.283 1.00 61.40 C ATOM 1572 NH1 ARG A 102 5.446 -10.197 -22.544 1.00 75.13 N ATOM 1573 NH2 ARG A 102 5.040 -11.575 -20.755 1.00 24.22 N ATOM 0 H ARG A 102 5.387 -3.943 -22.932 1.00 51.34 H new ATOM 0 HA ARG A 102 4.432 -5.369 -20.663 1.00 65.43 H new ATOM 0 HB2 ARG A 102 5.769 -6.124 -22.804 1.00 15.31 H new ATOM 0 HB3 ARG A 102 7.184 -5.661 -21.881 1.00 15.31 H new ATOM 0 HG2 ARG A 102 6.806 -8.033 -21.591 1.00 74.34 H new ATOM 0 HG3 ARG A 102 6.501 -7.227 -20.065 1.00 74.34 H new ATOM 0 HD2 ARG A 102 4.090 -7.316 -20.423 1.00 14.43 H new ATOM 0 HD3 ARG A 102 4.305 -7.915 -22.056 1.00 14.43 H new ATOM 0 HE ARG A 102 4.441 -9.464 -19.583 1.00 1.05 H new ATOM 0 HH11 ARG A 102 5.471 -9.263 -22.954 1.00 75.13 H new ATOM 0 HH12 ARG A 102 5.711 -11.007 -23.105 1.00 75.13 H new ATOM 0 HH21 ARG A 102 4.752 -11.703 -19.785 1.00 24.22 H new ATOM 0 HH22 ARG A 102 5.305 -12.382 -21.319 1.00 24.22 H new ATOM 1587 N THR A 103 7.185 -3.566 -20.283 1.00 35.45 N ATOM 1588 CA THR A 103 8.043 -2.940 -19.286 1.00 2.44 C ATOM 1589 C THR A 103 7.247 -2.000 -18.387 1.00 21.54 C ATOM 1590 O THR A 103 7.535 -1.872 -17.196 1.00 74.33 O ATOM 1591 CB THR A 103 9.189 -2.150 -19.947 1.00 74.41 C ATOM 1592 OG1 THR A 103 10.054 -1.608 -18.943 1.00 71.51 O ATOM 1593 CG2 THR A 103 8.641 -1.026 -20.813 1.00 3.31 C ATOM 0 H THR A 103 7.450 -3.372 -21.249 1.00 35.45 H new ATOM 0 HA THR A 103 8.465 -3.744 -18.684 1.00 2.44 H new ATOM 0 HB THR A 103 9.754 -2.834 -20.581 1.00 74.41 H new ATOM 0 HG1 THR A 103 10.706 -1.008 -19.362 1.00 71.51 H new ATOM 0 HG21 THR A 103 9.468 -0.482 -21.269 1.00 3.31 H new ATOM 0 HG22 THR A 103 8.007 -1.445 -21.594 1.00 3.31 H new ATOM 0 HG23 THR A 103 8.055 -0.344 -20.197 1.00 3.31 H new ATOM 1601 N PHE A 104 6.245 -1.346 -18.963 1.00 14.30 N ATOM 1602 CA PHE A 104 5.407 -0.417 -18.213 1.00 75.31 C ATOM 1603 C PHE A 104 4.695 -1.131 -17.067 1.00 4.20 C ATOM 1604 O PHE A 104 4.959 -0.861 -15.896 1.00 1.41 O ATOM 1605 CB PHE A 104 4.378 0.236 -19.139 1.00 30.14 C ATOM 1606 CG PHE A 104 3.335 1.033 -18.408 1.00 44.22 C ATOM 1607 CD1 PHE A 104 3.697 2.115 -17.621 1.00 71.14 C ATOM 1608 CD2 PHE A 104 1.994 0.701 -18.509 1.00 10.31 C ATOM 1609 CE1 PHE A 104 2.740 2.850 -16.948 1.00 34.43 C ATOM 1610 CE2 PHE A 104 1.032 1.433 -17.838 1.00 21.32 C ATOM 1611 CZ PHE A 104 1.405 2.509 -17.057 1.00 65.10 C ATOM 0 H PHE A 104 5.993 -1.442 -19.947 1.00 14.30 H new ATOM 0 HA PHE A 104 6.050 0.356 -17.793 1.00 75.31 H new ATOM 0 HB2 PHE A 104 4.896 0.888 -19.842 1.00 30.14 H new ATOM 0 HB3 PHE A 104 3.886 -0.539 -19.727 1.00 30.14 H new ATOM 0 HD1 PHE A 104 4.739 2.387 -17.533 1.00 71.14 H new ATOM 0 HD2 PHE A 104 1.697 -0.139 -19.119 1.00 10.31 H new ATOM 0 HE1 PHE A 104 3.035 3.690 -16.337 1.00 34.43 H new ATOM 0 HE2 PHE A 104 -0.010 1.164 -17.925 1.00 21.32 H new ATOM 0 HZ PHE A 104 0.655 3.083 -16.533 1.00 65.10 H new ATOM 1621 N GLU A 105 3.792 -2.042 -17.415 1.00 23.33 N ATOM 1622 CA GLU A 105 3.042 -2.793 -16.415 1.00 61.40 C ATOM 1623 C GLU A 105 3.981 -3.599 -15.522 1.00 63.32 C ATOM 1624 O GLU A 105 3.715 -3.792 -14.336 1.00 24.44 O ATOM 1625 CB GLU A 105 2.039 -3.728 -17.094 1.00 60.31 C ATOM 1626 CG GLU A 105 0.675 -3.098 -17.319 1.00 10.33 C ATOM 1627 CD GLU A 105 -0.344 -4.086 -17.853 1.00 3.21 C ATOM 1628 OE1 GLU A 105 -0.342 -5.247 -17.392 1.00 4.41 O ATOM 1629 OE2 GLU A 105 -1.142 -3.699 -18.731 1.00 53.03 O ATOM 0 H GLU A 105 3.562 -2.278 -18.380 1.00 23.33 H new ATOM 0 HA GLU A 105 2.500 -2.080 -15.793 1.00 61.40 H new ATOM 0 HB2 GLU A 105 2.445 -4.047 -18.054 1.00 60.31 H new ATOM 0 HB3 GLU A 105 1.920 -4.624 -16.484 1.00 60.31 H new ATOM 0 HG2 GLU A 105 0.313 -2.680 -16.380 1.00 10.33 H new ATOM 0 HG3 GLU A 105 0.773 -2.269 -18.020 1.00 10.33 H new ATOM 1636 N LYS A 106 5.081 -4.068 -16.102 1.00 22.45 N ATOM 1637 CA LYS A 106 6.062 -4.853 -15.361 1.00 33.04 C ATOM 1638 C LYS A 106 6.722 -4.012 -14.273 1.00 12.03 C ATOM 1639 O LYS A 106 6.830 -4.440 -13.123 1.00 43.14 O ATOM 1640 CB LYS A 106 7.127 -5.405 -16.311 1.00 1.53 C ATOM 1641 CG LYS A 106 8.150 -6.295 -15.627 1.00 34.44 C ATOM 1642 CD LYS A 106 7.487 -7.472 -14.930 1.00 13.35 C ATOM 1643 CE LYS A 106 8.176 -8.784 -15.273 1.00 55.50 C ATOM 1644 NZ LYS A 106 7.483 -9.501 -16.379 1.00 41.54 N ATOM 0 H LYS A 106 5.316 -3.918 -17.083 1.00 22.45 H new ATOM 0 HA LYS A 106 5.541 -5.685 -14.887 1.00 33.04 H new ATOM 0 HB2 LYS A 106 6.637 -5.971 -17.103 1.00 1.53 H new ATOM 0 HB3 LYS A 106 7.644 -4.572 -16.788 1.00 1.53 H new ATOM 0 HG2 LYS A 106 8.865 -6.662 -16.364 1.00 34.44 H new ATOM 0 HG3 LYS A 106 8.714 -5.711 -14.900 1.00 34.44 H new ATOM 0 HD2 LYS A 106 7.512 -7.318 -13.851 1.00 13.35 H new ATOM 0 HD3 LYS A 106 6.438 -7.524 -15.221 1.00 13.35 H new ATOM 0 HE2 LYS A 106 9.209 -8.588 -15.559 1.00 55.50 H new ATOM 0 HE3 LYS A 106 8.205 -9.421 -14.389 1.00 55.50 H new ATOM 0 HZ1 LYS A 106 7.983 -10.390 -16.583 1.00 41.54 H new ATOM 0 HZ2 LYS A 106 6.504 -9.711 -16.097 1.00 41.54 H new ATOM 0 HZ3 LYS A 106 7.477 -8.904 -17.230 1.00 41.54 H new ATOM 1658 N PHE A 107 7.160 -2.813 -14.642 1.00 62.13 N ATOM 1659 CA PHE A 107 7.809 -1.912 -13.697 1.00 42.34 C ATOM 1660 C PHE A 107 6.963 -1.741 -12.440 1.00 14.24 C ATOM 1661 O PHE A 107 7.462 -1.859 -11.321 1.00 45.33 O ATOM 1662 CB PHE A 107 8.057 -0.549 -14.348 1.00 23.21 C ATOM 1663 CG PHE A 107 9.490 -0.323 -14.738 1.00 70.10 C ATOM 1664 CD1 PHE A 107 10.108 -1.148 -15.664 1.00 40.53 C ATOM 1665 CD2 PHE A 107 10.219 0.714 -14.178 1.00 31.30 C ATOM 1666 CE1 PHE A 107 11.426 -0.942 -16.026 1.00 22.02 C ATOM 1667 CE2 PHE A 107 11.537 0.924 -14.536 1.00 1.32 C ATOM 1668 CZ PHE A 107 12.142 0.095 -15.460 1.00 31.21 C ATOM 0 H PHE A 107 7.077 -2.443 -15.589 1.00 62.13 H new ATOM 0 HA PHE A 107 8.765 -2.351 -13.413 1.00 42.34 H new ATOM 0 HB2 PHE A 107 7.429 -0.459 -15.234 1.00 23.21 H new ATOM 0 HB3 PHE A 107 7.748 0.236 -13.658 1.00 23.21 H new ATOM 0 HD1 PHE A 107 9.553 -1.961 -16.108 1.00 40.53 H new ATOM 0 HD2 PHE A 107 9.752 1.365 -13.454 1.00 31.30 H new ATOM 0 HE1 PHE A 107 11.895 -1.591 -16.750 1.00 22.02 H new ATOM 0 HE2 PHE A 107 12.094 1.736 -14.093 1.00 1.32 H new ATOM 0 HZ PHE A 107 13.173 0.257 -15.739 1.00 31.21 H new ATOM 1678 N ALA A 108 5.678 -1.462 -12.632 1.00 15.51 N ATOM 1679 CA ALA A 108 4.761 -1.276 -11.514 1.00 54.42 C ATOM 1680 C ALA A 108 4.788 -2.478 -10.576 1.00 54.52 C ATOM 1681 O ALA A 108 4.864 -2.324 -9.358 1.00 3.14 O ATOM 1682 CB ALA A 108 3.348 -1.034 -12.025 1.00 51.11 C ATOM 0 H ALA A 108 5.248 -1.360 -13.551 1.00 15.51 H new ATOM 0 HA ALA A 108 5.087 -0.401 -10.951 1.00 54.42 H new ATOM 0 HB1 ALA A 108 2.674 -0.897 -11.180 1.00 51.11 H new ATOM 0 HB2 ALA A 108 3.335 -0.140 -12.649 1.00 51.11 H new ATOM 0 HB3 ALA A 108 3.022 -1.892 -12.613 1.00 51.11 H new ATOM 1688 N MET A 109 4.723 -3.673 -11.152 1.00 62.43 N ATOM 1689 CA MET A 109 4.741 -4.902 -10.366 1.00 51.24 C ATOM 1690 C MET A 109 6.018 -4.999 -9.538 1.00 12.44 C ATOM 1691 O MET A 109 5.976 -5.319 -8.351 1.00 11.15 O ATOM 1692 CB MET A 109 4.620 -6.121 -11.283 1.00 43.30 C ATOM 1693 CG MET A 109 4.357 -7.419 -10.537 1.00 1.42 C ATOM 1694 SD MET A 109 2.604 -7.832 -10.460 1.00 33.15 S ATOM 1695 CE MET A 109 2.681 -9.619 -10.358 1.00 44.45 C ATOM 0 H MET A 109 4.657 -3.817 -12.160 1.00 62.43 H new ATOM 0 HA MET A 109 3.889 -4.882 -9.686 1.00 51.24 H new ATOM 0 HB2 MET A 109 3.813 -5.951 -11.995 1.00 43.30 H new ATOM 0 HB3 MET A 109 5.539 -6.223 -11.861 1.00 43.30 H new ATOM 0 HG2 MET A 109 4.896 -8.230 -11.026 1.00 1.42 H new ATOM 0 HG3 MET A 109 4.752 -7.338 -9.524 1.00 1.42 H new ATOM 0 HE1 MET A 109 1.671 -10.024 -10.304 1.00 44.45 H new ATOM 0 HE2 MET A 109 3.183 -10.013 -11.242 1.00 44.45 H new ATOM 0 HE3 MET A 109 3.236 -9.909 -9.466 1.00 44.45 H new ATOM 1705 N GLY A 110 7.153 -4.720 -10.172 1.00 14.21 N ATOM 1706 CA GLY A 110 8.425 -4.782 -9.477 1.00 43.23 C ATOM 1707 C GLY A 110 8.486 -3.838 -8.293 1.00 32.24 C ATOM 1708 O GLY A 110 9.068 -4.164 -7.258 1.00 21.40 O ATOM 0 H GLY A 110 7.214 -4.452 -11.154 1.00 14.21 H new ATOM 0 HA2 GLY A 110 8.598 -5.802 -9.134 1.00 43.23 H new ATOM 0 HA3 GLY A 110 9.228 -4.539 -10.173 1.00 43.23 H new ATOM 1712 N LYS A 111 7.884 -2.663 -8.443 1.00 20.11 N ATOM 1713 CA LYS A 111 7.871 -1.668 -7.378 1.00 5.44 C ATOM 1714 C LYS A 111 7.244 -2.236 -6.109 1.00 74.10 C ATOM 1715 O LYS A 111 7.803 -2.112 -5.019 1.00 42.22 O ATOM 1716 CB LYS A 111 7.104 -0.422 -7.825 1.00 51.51 C ATOM 1717 CG LYS A 111 7.083 0.686 -6.786 1.00 23.02 C ATOM 1718 CD LYS A 111 5.694 1.284 -6.635 1.00 65.24 C ATOM 1719 CE LYS A 111 5.079 0.932 -5.290 1.00 31.22 C ATOM 1720 NZ LYS A 111 4.250 -0.303 -5.365 1.00 61.11 N ATOM 0 H LYS A 111 7.398 -2.377 -9.293 1.00 20.11 H new ATOM 0 HA LYS A 111 8.903 -1.393 -7.160 1.00 5.44 H new ATOM 0 HB2 LYS A 111 7.552 -0.040 -8.742 1.00 51.51 H new ATOM 0 HB3 LYS A 111 6.079 -0.703 -8.064 1.00 51.51 H new ATOM 0 HG2 LYS A 111 7.417 0.292 -5.826 1.00 23.02 H new ATOM 0 HG3 LYS A 111 7.787 1.467 -7.072 1.00 23.02 H new ATOM 0 HD2 LYS A 111 5.750 2.368 -6.738 1.00 65.24 H new ATOM 0 HD3 LYS A 111 5.051 0.920 -7.437 1.00 65.24 H new ATOM 0 HE2 LYS A 111 5.871 0.794 -4.554 1.00 31.22 H new ATOM 0 HE3 LYS A 111 4.463 1.762 -4.944 1.00 31.22 H new ATOM 0 HZ1 LYS A 111 4.243 -0.773 -4.437 1.00 61.11 H new ATOM 0 HZ2 LYS A 111 3.277 -0.052 -5.634 1.00 61.11 H new ATOM 0 HZ3 LYS A 111 4.651 -0.947 -6.076 1.00 61.11 H new ATOM 1734 N ILE A 112 6.080 -2.860 -6.259 1.00 24.43 N ATOM 1735 CA ILE A 112 5.379 -3.450 -5.125 1.00 0.00 C ATOM 1736 C ILE A 112 6.239 -4.503 -4.434 1.00 75.21 C ATOM 1737 O ILE A 112 6.219 -4.630 -3.210 1.00 13.23 O ATOM 1738 CB ILE A 112 4.049 -4.093 -5.559 1.00 34.23 C ATOM 1739 CG1 ILE A 112 3.176 -3.070 -6.288 1.00 12.52 C ATOM 1740 CG2 ILE A 112 3.315 -4.658 -4.352 1.00 22.55 C ATOM 1741 CD1 ILE A 112 1.980 -3.681 -6.983 1.00 34.23 C ATOM 0 H ILE A 112 5.603 -2.970 -7.154 1.00 24.43 H new ATOM 0 HA ILE A 112 5.171 -2.640 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 112 4.266 -4.912 -6.245 1.00 34.23 H new ATOM 0 HG12 ILE A 112 2.828 -2.325 -5.572 1.00 12.52 H new ATOM 0 HG13 ILE A 112 3.784 -2.545 -7.024 1.00 12.52 H new ATOM 0 HG21 ILE A 112 2.377 -5.109 -4.675 1.00 22.55 H new ATOM 0 HG22 ILE A 112 3.935 -5.415 -3.871 1.00 22.55 H new ATOM 0 HG23 ILE A 112 3.107 -3.856 -3.644 1.00 22.55 H new ATOM 0 HD11 ILE A 112 1.407 -2.897 -7.478 1.00 34.23 H new ATOM 0 HD12 ILE A 112 2.320 -4.405 -7.724 1.00 34.23 H new ATOM 0 HD13 ILE A 112 1.349 -4.182 -6.249 1.00 34.23 H new ATOM 1753 N ASP A 113 6.994 -5.255 -5.227 1.00 34.40 N ATOM 1754 CA ASP A 113 7.863 -6.296 -4.692 1.00 25.51 C ATOM 1755 C ASP A 113 8.876 -5.709 -3.714 1.00 0.12 C ATOM 1756 O ASP A 113 9.092 -6.249 -2.630 1.00 21.44 O ATOM 1757 CB ASP A 113 8.592 -7.016 -5.828 1.00 73.21 C ATOM 1758 CG ASP A 113 7.880 -8.283 -6.261 1.00 25.24 C ATOM 1759 OD1 ASP A 113 6.634 -8.317 -6.190 1.00 63.22 O ATOM 1760 OD2 ASP A 113 8.570 -9.241 -6.669 1.00 21.31 O ATOM 0 H ASP A 113 7.022 -5.163 -6.242 1.00 34.40 H new ATOM 0 HA ASP A 113 7.241 -7.014 -4.157 1.00 25.51 H new ATOM 0 HB2 ASP A 113 8.683 -6.344 -6.681 1.00 73.21 H new ATOM 0 HB3 ASP A 113 9.604 -7.263 -5.508 1.00 73.21 H new ATOM 1765 N ALA A 114 9.494 -4.600 -4.105 1.00 45.33 N ATOM 1766 CA ALA A 114 10.483 -3.938 -3.263 1.00 63.40 C ATOM 1767 C ALA A 114 9.856 -3.446 -1.963 1.00 62.40 C ATOM 1768 O ALA A 114 10.460 -3.545 -0.895 1.00 23.13 O ATOM 1769 CB ALA A 114 11.126 -2.781 -4.013 1.00 13.33 C ATOM 0 H ALA A 114 9.327 -4.140 -5.000 1.00 45.33 H new ATOM 0 HA ALA A 114 11.254 -4.666 -3.011 1.00 63.40 H new ATOM 0 HB1 ALA A 114 11.862 -2.296 -3.372 1.00 13.33 H new ATOM 0 HB2 ALA A 114 11.618 -3.157 -4.910 1.00 13.33 H new ATOM 0 HB3 ALA A 114 10.359 -2.059 -4.295 1.00 13.33 H new ATOM 1775 N TYR A 115 8.642 -2.916 -2.061 1.00 44.11 N ATOM 1776 CA TYR A 115 7.935 -2.405 -0.893 1.00 32.41 C ATOM 1777 C TYR A 115 7.905 -3.445 0.223 1.00 2.25 C ATOM 1778 O TYR A 115 8.213 -3.142 1.377 1.00 73.03 O ATOM 1779 CB TYR A 115 6.508 -2.005 -1.270 1.00 15.21 C ATOM 1780 CG TYR A 115 5.632 -1.689 -0.078 1.00 5.40 C ATOM 1781 CD1 TYR A 115 6.119 -0.940 0.987 1.00 63.04 C ATOM 1782 CD2 TYR A 115 4.320 -2.139 -0.016 1.00 33.22 C ATOM 1783 CE1 TYR A 115 5.324 -0.649 2.078 1.00 32.21 C ATOM 1784 CE2 TYR A 115 3.517 -1.852 1.071 1.00 53.12 C ATOM 1785 CZ TYR A 115 4.023 -1.107 2.115 1.00 2.13 C ATOM 1786 OH TYR A 115 3.227 -0.820 3.200 1.00 11.12 O ATOM 0 H TYR A 115 8.127 -2.829 -2.937 1.00 44.11 H new ATOM 0 HA TYR A 115 8.469 -1.526 -0.532 1.00 32.41 H new ATOM 0 HB2 TYR A 115 6.545 -1.134 -1.924 1.00 15.21 H new ATOM 0 HB3 TYR A 115 6.052 -2.814 -1.841 1.00 15.21 H new ATOM 0 HD1 TYR A 115 7.137 -0.579 0.961 1.00 63.04 H new ATOM 0 HD2 TYR A 115 3.920 -2.723 -0.832 1.00 33.22 H new ATOM 0 HE1 TYR A 115 5.718 -0.066 2.897 1.00 32.21 H new ATOM 0 HE2 TYR A 115 2.498 -2.209 1.103 1.00 53.12 H new ATOM 0 HH TYR A 115 2.728 0.006 3.030 1.00 11.12 H new ATOM 1796 N ILE A 116 7.534 -4.671 -0.129 1.00 15.14 N ATOM 1797 CA ILE A 116 7.465 -5.756 0.842 1.00 22.21 C ATOM 1798 C ILE A 116 8.833 -6.031 1.457 1.00 44.13 C ATOM 1799 O ILE A 116 8.958 -6.202 2.669 1.00 35.43 O ATOM 1800 CB ILE A 116 6.933 -7.052 0.201 1.00 1.25 C ATOM 1801 CG1 ILE A 116 5.553 -6.813 -0.415 1.00 2.54 C ATOM 1802 CG2 ILE A 116 6.872 -8.167 1.235 1.00 51.05 C ATOM 1803 CD1 ILE A 116 5.076 -7.951 -1.288 1.00 73.41 C ATOM 0 H ILE A 116 7.277 -4.938 -1.079 1.00 15.14 H new ATOM 0 HA ILE A 116 6.775 -5.437 1.623 1.00 22.21 H new ATOM 0 HB ILE A 116 7.616 -7.355 -0.592 1.00 1.25 H new ATOM 0 HG12 ILE A 116 4.830 -6.652 0.385 1.00 2.54 H new ATOM 0 HG13 ILE A 116 5.582 -5.899 -1.008 1.00 2.54 H new ATOM 0 HG21 ILE A 116 6.494 -9.076 0.768 1.00 51.05 H new ATOM 0 HG22 ILE A 116 7.871 -8.351 1.631 1.00 51.05 H new ATOM 0 HG23 ILE A 116 6.207 -7.874 2.048 1.00 51.05 H new ATOM 0 HD11 ILE A 116 4.092 -7.713 -1.691 1.00 73.41 H new ATOM 0 HD12 ILE A 116 5.778 -8.099 -2.109 1.00 73.41 H new ATOM 0 HD13 ILE A 116 5.014 -8.863 -0.695 1.00 73.41 H new ATOM 1815 N SER A 117 9.859 -6.070 0.612 1.00 53.34 N ATOM 1816 CA SER A 117 11.219 -6.325 1.071 1.00 32.42 C ATOM 1817 C SER A 117 11.646 -5.289 2.106 1.00 23.32 C ATOM 1818 O SER A 117 12.498 -5.558 2.953 1.00 34.23 O ATOM 1819 CB SER A 117 12.190 -6.313 -0.111 1.00 11.11 C ATOM 1820 OG SER A 117 12.121 -7.526 -0.840 1.00 40.24 O ATOM 0 H SER A 117 9.774 -5.928 -0.394 1.00 53.34 H new ATOM 0 HA SER A 117 11.240 -7.310 1.538 1.00 32.42 H new ATOM 0 HB2 SER A 117 11.957 -5.476 -0.769 1.00 11.11 H new ATOM 0 HB3 SER A 117 13.207 -6.160 0.251 1.00 11.11 H new ATOM 0 HG SER A 117 12.980 -7.691 -1.282 1.00 40.24 H new ATOM 1826 N GLN A 118 11.049 -4.104 2.030 1.00 71.51 N ATOM 1827 CA GLN A 118 11.368 -3.027 2.959 1.00 20.33 C ATOM 1828 C GLN A 118 10.097 -2.402 3.525 1.00 22.12 C ATOM 1829 O GLN A 118 9.513 -1.503 2.921 1.00 55.31 O ATOM 1830 CB GLN A 118 12.211 -1.957 2.263 1.00 74.21 C ATOM 1831 CG GLN A 118 11.610 -1.465 0.956 1.00 61.30 C ATOM 1832 CD GLN A 118 12.527 -1.692 -0.230 1.00 21.43 C ATOM 1833 OE1 GLN A 118 12.741 -0.794 -1.044 1.00 64.45 O ATOM 1834 NE2 GLN A 118 13.075 -2.898 -0.333 1.00 14.25 N ATOM 0 H GLN A 118 10.342 -3.866 1.335 1.00 71.51 H new ATOM 0 HA GLN A 118 11.941 -3.451 3.784 1.00 20.33 H new ATOM 0 HB2 GLN A 118 12.337 -1.110 2.937 1.00 74.21 H new ATOM 0 HB3 GLN A 118 13.205 -2.359 2.068 1.00 74.21 H new ATOM 0 HG2 GLN A 118 10.663 -1.975 0.781 1.00 61.30 H new ATOM 0 HG3 GLN A 118 11.388 -0.401 1.040 1.00 61.30 H new ATOM 0 HE21 GLN A 118 12.870 -3.613 0.365 1.00 14.25 H new ATOM 0 HE22 GLN A 118 13.701 -3.109 -1.110 1.00 14.25 H new ATOM 1843 N LYS A 119 9.674 -2.884 4.689 1.00 71.34 N ATOM 1844 CA LYS A 119 8.473 -2.373 5.338 1.00 73.01 C ATOM 1845 C LYS A 119 8.754 -2.006 6.791 1.00 1.04 C ATOM 1846 O LYS A 119 8.408 -0.915 7.245 1.00 42.02 O ATOM 1847 CB LYS A 119 7.351 -3.412 5.271 1.00 14.50 C ATOM 1848 CG LYS A 119 6.234 -3.040 4.311 1.00 41.42 C ATOM 1849 CD LYS A 119 4.870 -3.402 4.874 1.00 2.12 C ATOM 1850 CE LYS A 119 4.389 -4.745 4.348 1.00 33.31 C ATOM 1851 NZ LYS A 119 2.973 -4.686 3.890 1.00 70.40 N ATOM 0 H LYS A 119 10.146 -3.628 5.202 1.00 71.34 H new ATOM 0 HA LYS A 119 8.159 -1.473 4.809 1.00 73.01 H new ATOM 0 HB2 LYS A 119 7.773 -4.371 4.970 1.00 14.50 H new ATOM 0 HB3 LYS A 119 6.932 -3.547 6.268 1.00 14.50 H new ATOM 0 HG2 LYS A 119 6.271 -1.970 4.105 1.00 41.42 H new ATOM 0 HG3 LYS A 119 6.384 -3.553 3.361 1.00 41.42 H new ATOM 0 HD2 LYS A 119 4.921 -3.433 5.962 1.00 2.12 H new ATOM 0 HD3 LYS A 119 4.149 -2.628 4.611 1.00 2.12 H new ATOM 0 HE2 LYS A 119 5.025 -5.060 3.521 1.00 33.31 H new ATOM 0 HE3 LYS A 119 4.487 -5.498 5.130 1.00 33.31 H new ATOM 0 HZ1 LYS A 119 2.683 -5.621 3.539 1.00 70.40 H new ATOM 0 HZ2 LYS A 119 2.362 -4.410 4.685 1.00 70.40 H new ATOM 0 HZ3 LYS A 119 2.884 -3.986 3.126 1.00 70.40 H new ATOM 1865 N VAL A 120 9.385 -2.924 7.517 1.00 0.43 N ATOM 1866 CA VAL A 120 9.715 -2.695 8.919 1.00 63.21 C ATOM 1867 C VAL A 120 10.760 -1.594 9.065 1.00 32.31 C ATOM 1868 O VAL A 120 10.998 -1.091 10.162 1.00 35.33 O ATOM 1869 CB VAL A 120 10.241 -3.979 9.588 1.00 44.10 C ATOM 1870 CG1 VAL A 120 11.570 -4.395 8.975 1.00 74.14 C ATOM 1871 CG2 VAL A 120 10.378 -3.779 11.090 1.00 74.01 C ATOM 0 H VAL A 120 9.678 -3.833 7.158 1.00 0.43 H new ATOM 0 HA VAL A 120 8.795 -2.386 9.415 1.00 63.21 H new ATOM 0 HB VAL A 120 9.521 -4.779 9.414 1.00 44.10 H new ATOM 0 HG11 VAL A 120 11.926 -5.304 9.460 1.00 74.14 H new ATOM 0 HG12 VAL A 120 11.437 -4.581 7.909 1.00 74.14 H new ATOM 0 HG13 VAL A 120 12.301 -3.599 9.116 1.00 74.14 H new ATOM 0 HG21 VAL A 120 10.751 -4.696 11.547 1.00 74.01 H new ATOM 0 HG22 VAL A 120 11.077 -2.966 11.287 1.00 74.01 H new ATOM 0 HG23 VAL A 120 9.405 -3.532 11.514 1.00 74.01 H new ATOM 1881 N GLY A 121 11.381 -1.224 7.950 1.00 44.25 N ATOM 1882 CA GLY A 121 12.394 -0.184 7.975 1.00 75.03 C ATOM 1883 C GLY A 121 11.797 1.203 8.110 1.00 72.24 C ATOM 1884 O GLY A 121 12.489 2.151 8.476 1.00 2.25 O ATOM 0 H GLY A 121 11.201 -1.625 7.030 1.00 44.25 H new ATOM 0 HA2 GLY A 121 13.076 -0.365 8.806 1.00 75.03 H new ATOM 0 HA3 GLY A 121 12.985 -0.235 7.061 1.00 75.03 H new ATOM 1888 N GLY A 122 10.507 1.322 7.810 1.00 13.25 N ATOM 1889 CA GLY A 122 9.839 2.607 7.905 1.00 41.32 C ATOM 1890 C GLY A 122 8.954 2.890 6.707 1.00 11.13 C ATOM 1891 O GLY A 122 8.273 3.915 6.657 1.00 12.34 O ATOM 0 H GLY A 122 9.913 0.552 7.503 1.00 13.25 H new ATOM 0 HA2 GLY A 122 9.236 2.633 8.813 1.00 41.32 H new ATOM 0 HA3 GLY A 122 10.586 3.396 7.995 1.00 41.32 H new ATOM 1895 N LEU A 123 8.964 1.981 5.739 1.00 74.02 N ATOM 1896 CA LEU A 123 8.156 2.138 4.534 1.00 43.12 C ATOM 1897 C LEU A 123 6.759 1.560 4.735 1.00 1.43 C ATOM 1898 O LEU A 123 5.801 1.990 4.093 1.00 25.11 O ATOM 1899 CB LEU A 123 8.837 1.454 3.347 1.00 22.22 C ATOM 1900 CG LEU A 123 8.726 2.174 2.003 1.00 72.11 C ATOM 1901 CD1 LEU A 123 7.267 2.389 1.632 1.00 52.20 C ATOM 1902 CD2 LEU A 123 9.469 3.501 2.046 1.00 53.33 C ATOM 0 H LEU A 123 9.522 1.128 5.764 1.00 74.02 H new ATOM 0 HA LEU A 123 8.061 3.204 4.327 1.00 43.12 H new ATOM 0 HB2 LEU A 123 9.894 1.329 3.583 1.00 22.22 H new ATOM 0 HB3 LEU A 123 8.414 0.455 3.237 1.00 22.22 H new ATOM 0 HG LEU A 123 9.186 1.548 1.238 1.00 72.11 H new ATOM 0 HD11 LEU A 123 7.207 2.903 0.673 1.00 52.20 H new ATOM 0 HD12 LEU A 123 6.764 1.425 1.559 1.00 52.20 H new ATOM 0 HD13 LEU A 123 6.782 2.994 2.398 1.00 52.20 H new ATOM 0 HD21 LEU A 123 9.379 4.000 1.081 1.00 53.33 H new ATOM 0 HD22 LEU A 123 9.039 4.134 2.823 1.00 53.33 H new ATOM 0 HD23 LEU A 123 10.522 3.322 2.265 1.00 53.33 H new ATOM 1914 N GLU A 124 6.651 0.586 5.633 1.00 71.31 N ATOM 1915 CA GLU A 124 5.370 -0.049 5.920 1.00 71.25 C ATOM 1916 C GLU A 124 4.295 0.997 6.199 1.00 33.11 C ATOM 1917 O GLU A 124 3.248 0.688 6.768 1.00 51.34 O ATOM 1918 CB GLU A 124 5.500 -0.995 7.116 1.00 44.45 C ATOM 1919 CG GLU A 124 5.837 -0.287 8.417 1.00 11.42 C ATOM 1920 CD GLU A 124 6.090 -1.253 9.558 1.00 13.33 C ATOM 1921 OE1 GLU A 124 5.345 -2.249 9.667 1.00 34.22 O ATOM 1922 OE2 GLU A 124 7.032 -1.013 10.342 1.00 14.40 O ATOM 0 H GLU A 124 7.434 0.220 6.174 1.00 71.31 H new ATOM 0 HA GLU A 124 5.074 -0.624 5.043 1.00 71.25 H new ATOM 0 HB2 GLU A 124 4.565 -1.540 7.241 1.00 44.45 H new ATOM 0 HB3 GLU A 124 6.273 -1.733 6.903 1.00 44.45 H new ATOM 0 HG2 GLU A 124 6.720 0.335 8.270 1.00 11.42 H new ATOM 0 HG3 GLU A 124 5.018 0.381 8.686 1.00 11.42 H new