USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 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 1 MET N :NH3+ 177:sc= 0.975 (180deg=0.00554) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= -0.539 USER MOD Set 1.3: A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 45 TYR OH : rot 169:sc= -1.49 USER MOD Set 2.2: A 51 ASN : amide:sc= -3.45 K(o=-4.9,f=-7.8) USER MOD Set 3.1: A 31 SER OG : rot 180:sc=-0.00481 USER MOD Set 3.2: A 53 CYS SG : rot 134:sc= -0.198 USER MOD Set 4.1: A 3 GLN : amide:sc= -0.293 X(o=-1.2,f=-1) USER MOD Set 4.2: A 4 ASN : amide:sc= -0.937 K(o=-1.2,f=-3.6!) USER MOD Set 5.1: A 2 SER OG : rot -33:sc= -0.622! USER MOD Set 5.2: A 72 GLN : amide:sc= -2.38 K(o=-3,f=-0.77) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.4) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -109:sc= -1.47 (180deg=-4.22!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -75:sc= 0.0772 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0893 X(o=-0.089,f=-0.0036) USER MOD Single : A 32 GLN : amide:sc= -2.22 K(o=-2.2,f=-1) USER MOD Single : A 37 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -69:sc= 0.148 USER MOD Single : A 46 THR OG1 : rot -63:sc= 1.16 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc=-0.00442 USER MOD Single : A 57 THR OG1 : rot 146:sc= 0.518 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -81:sc= 1.1 USER MOD Single : A 77 LYS NZ :NH3+ -137:sc= 0.308 (180deg=-0.433) USER MOD Single : A 83 MET CE :methyl -156:sc= -2.35! (180deg=-4.12!) USER MOD Single : A 85 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.95) USER MOD Single : A 86 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.9!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.043) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 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+ 180:sc= -0.175 (180deg=-0.175) USER MOD Single : A 117 SER OG : rot 176:sc= 0.604 USER MOD Single : A 118 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.395 0.777 -1.080 1.00 61.12 C ATOM 4 O MET A 1 4.445 0.354 -1.563 1.00 45.33 O ATOM 5 CB MET A 1 1.263 0.603 -2.377 1.00 34.12 C ATOM 6 CG MET A 1 0.058 -0.240 -2.764 1.00 25.33 C ATOM 7 SD MET A 1 -1.262 0.735 -3.509 1.00 12.44 S ATOM 8 CE MET A 1 -2.704 -0.022 -2.763 1.00 52.23 C ATOM 0 H1 MET A 1 0.425 -0.491 -0.148 1.00 0.00 H new ATOM 0 H2 MET A 1 1.871 -0.488 0.741 1.00 0.00 H new ATOM 0 H3 MET A 1 1.146 0.981 0.294 1.00 0.00 H new ATOM 0 HA MET A 1 2.336 -1.035 -1.489 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.922 1.594 -2.079 1.00 34.12 H new ATOM 0 HB3 MET A 1 1.900 0.735 -3.252 1.00 34.12 H new ATOM 0 HG2 MET A 1 0.371 -1.015 -3.464 1.00 25.33 H new ATOM 0 HG3 MET A 1 -0.325 -0.747 -1.878 1.00 25.33 H new ATOM 0 HE1 MET A 1 -3.604 0.474 -3.126 1.00 52.23 H new ATOM 0 HE2 MET A 1 -2.739 -1.078 -3.029 1.00 52.23 H new ATOM 0 HE3 MET A 1 -2.647 0.077 -1.679 1.00 52.23 H new ATOM 18 N SER A 2 3.319 1.915 -0.398 1.00 14.00 N ATOM 19 CA SER A 2 4.491 2.753 -0.176 1.00 51.51 C ATOM 20 C SER A 2 4.259 3.715 0.986 1.00 63.50 C ATOM 21 O SER A 2 3.249 3.629 1.683 1.00 54.41 O ATOM 22 CB SER A 2 4.829 3.540 -1.444 1.00 13.31 C ATOM 23 OG SER A 2 4.712 2.725 -2.597 1.00 32.43 O ATOM 0 H SER A 2 2.458 2.278 0.011 1.00 14.00 H new ATOM 0 HA SER A 2 5.329 2.103 0.075 1.00 51.51 H new ATOM 0 HB2 SER A 2 4.162 4.398 -1.532 1.00 13.31 H new ATOM 0 HB3 SER A 2 5.844 3.931 -1.373 1.00 13.31 H new ATOM 0 HG SER A 2 4.955 1.803 -2.372 1.00 32.43 H new ATOM 29 N GLN A 3 5.204 4.628 1.187 1.00 34.14 N ATOM 30 CA GLN A 3 5.103 5.605 2.265 1.00 23.22 C ATOM 31 C GLN A 3 5.423 7.008 1.760 1.00 70.23 C ATOM 32 O GLN A 3 6.556 7.297 1.379 1.00 4.52 O ATOM 33 CB GLN A 3 6.050 5.234 3.408 1.00 32.31 C ATOM 34 CG GLN A 3 5.976 6.184 4.592 1.00 34.24 C ATOM 35 CD GLN A 3 4.551 6.547 4.961 1.00 34.42 C ATOM 36 OE1 GLN A 3 3.705 5.672 5.155 1.00 44.25 O ATOM 37 NE2 GLN A 3 4.276 7.842 5.061 1.00 61.10 N ATOM 0 H GLN A 3 6.047 4.712 0.619 1.00 34.14 H new ATOM 0 HA GLN A 3 4.077 5.596 2.634 1.00 23.22 H new ATOM 0 HB2 GLN A 3 5.818 4.225 3.748 1.00 32.31 H new ATOM 0 HB3 GLN A 3 7.072 5.216 3.030 1.00 32.31 H new ATOM 0 HG2 GLN A 3 6.464 5.725 5.452 1.00 34.24 H new ATOM 0 HG3 GLN A 3 6.530 7.093 4.358 1.00 34.24 H new ATOM 0 HE21 GLN A 3 5.007 8.533 4.892 1.00 61.10 H new ATOM 0 HE22 GLN A 3 3.334 8.146 5.307 1.00 61.10 H new ATOM 46 N ASN A 4 4.416 7.875 1.759 1.00 73.13 N ATOM 47 CA ASN A 4 4.590 9.248 1.299 1.00 74.12 C ATOM 48 C ASN A 4 5.372 10.069 2.320 1.00 74.41 C ATOM 49 O ASN A 4 4.794 10.844 3.082 1.00 33.20 O ATOM 50 CB ASN A 4 3.229 9.897 1.040 1.00 14.54 C ATOM 51 CG ASN A 4 2.249 9.658 2.173 1.00 61.40 C ATOM 52 OD1 ASN A 4 2.645 9.331 3.292 1.00 72.51 O ATOM 53 ND2 ASN A 4 0.963 9.819 1.887 1.00 55.45 N ATOM 0 H ASN A 4 3.471 7.651 2.071 1.00 73.13 H new ATOM 0 HA ASN A 4 5.157 9.224 0.368 1.00 74.12 H new ATOM 0 HB2 ASN A 4 3.362 10.970 0.899 1.00 14.54 H new ATOM 0 HB3 ASN A 4 2.812 9.503 0.113 1.00 14.54 H new ATOM 0 HD21 ASN A 4 0.258 9.671 2.609 1.00 55.45 H new ATOM 0 HD22 ASN A 4 0.680 10.091 0.945 1.00 55.45 H new ATOM 60 N ARG A 5 6.689 9.893 2.328 1.00 31.34 N ATOM 61 CA ARG A 5 7.550 10.616 3.256 1.00 43.22 C ATOM 62 C ARG A 5 9.022 10.371 2.935 1.00 72.20 C ATOM 63 O ARG A 5 9.700 11.239 2.386 1.00 12.14 O ATOM 64 CB ARG A 5 7.254 10.194 4.696 1.00 71.31 C ATOM 65 CG ARG A 5 8.057 10.961 5.733 1.00 25.33 C ATOM 66 CD ARG A 5 7.869 10.379 7.126 1.00 63.35 C ATOM 67 NE ARG A 5 6.499 10.540 7.605 1.00 24.45 N ATOM 68 CZ ARG A 5 6.102 10.192 8.824 1.00 21.33 C ATOM 69 NH1 ARG A 5 6.966 9.667 9.682 1.00 21.41 N ATOM 70 NH2 ARG A 5 4.838 10.369 9.187 1.00 3.35 N ATOM 0 H ARG A 5 7.183 9.256 1.703 1.00 31.34 H new ATOM 0 HA ARG A 5 7.344 11.681 3.148 1.00 43.22 H new ATOM 0 HB2 ARG A 5 6.192 10.334 4.895 1.00 71.31 H new ATOM 0 HB3 ARG A 5 7.461 9.129 4.803 1.00 71.31 H new ATOM 0 HG2 ARG A 5 9.114 10.937 5.467 1.00 25.33 H new ATOM 0 HG3 ARG A 5 7.751 12.007 5.730 1.00 25.33 H new ATOM 0 HD2 ARG A 5 8.127 9.320 7.114 1.00 63.35 H new ATOM 0 HD3 ARG A 5 8.555 10.867 7.818 1.00 63.35 H new ATOM 0 HE ARG A 5 5.810 10.941 6.969 1.00 24.45 H new ATOM 0 HH11 ARG A 5 7.938 9.529 9.407 1.00 21.41 H new ATOM 0 HH12 ARG A 5 6.658 9.401 10.617 1.00 21.41 H new ATOM 0 HH21 ARG A 5 4.170 10.773 8.530 1.00 3.35 H new ATOM 0 HH22 ARG A 5 4.534 10.101 10.123 1.00 3.35 H new ATOM 84 N GLN A 6 9.508 9.183 3.282 1.00 53.33 N ATOM 85 CA GLN A 6 10.899 8.825 3.032 1.00 52.04 C ATOM 86 C GLN A 6 11.001 7.430 2.425 1.00 72.44 C ATOM 87 O GLN A 6 10.121 6.590 2.620 1.00 53.21 O ATOM 88 CB GLN A 6 11.705 8.890 4.330 1.00 64.24 C ATOM 89 CG GLN A 6 11.735 7.576 5.094 1.00 61.14 C ATOM 90 CD GLN A 6 10.348 7.056 5.414 1.00 32.41 C ATOM 91 OE1 GLN A 6 9.465 7.814 5.816 1.00 2.43 O ATOM 92 NE2 GLN A 6 10.147 5.755 5.237 1.00 25.11 N ATOM 0 H GLN A 6 8.959 8.453 3.737 1.00 53.33 H new ATOM 0 HA GLN A 6 11.311 9.541 2.321 1.00 52.04 H new ATOM 0 HB2 GLN A 6 12.727 9.190 4.099 1.00 64.24 H new ATOM 0 HB3 GLN A 6 11.283 9.664 4.971 1.00 64.24 H new ATOM 0 HG2 GLN A 6 12.272 6.831 4.507 1.00 61.14 H new ATOM 0 HG3 GLN A 6 12.291 7.712 6.022 1.00 61.14 H new ATOM 0 HE21 GLN A 6 10.907 5.163 4.902 1.00 25.11 H new ATOM 0 HE22 GLN A 6 9.233 5.348 5.436 1.00 25.11 H new ATOM 101 N LEU A 7 12.079 7.188 1.688 1.00 64.03 N ATOM 102 CA LEU A 7 12.297 5.893 1.051 1.00 12.52 C ATOM 103 C LEU A 7 13.449 5.147 1.715 1.00 22.24 C ATOM 104 O LEU A 7 14.560 5.668 1.824 1.00 20.22 O ATOM 105 CB LEU A 7 12.586 6.078 -0.440 1.00 14.25 C ATOM 106 CG LEU A 7 11.391 5.913 -1.380 1.00 65.41 C ATOM 107 CD1 LEU A 7 11.163 4.443 -1.700 1.00 4.43 C ATOM 108 CD2 LEU A 7 10.141 6.528 -0.768 1.00 63.41 C ATOM 0 H LEU A 7 12.816 7.871 1.516 1.00 64.03 H new ATOM 0 HA LEU A 7 11.389 5.301 1.168 1.00 12.52 H new ATOM 0 HB2 LEU A 7 13.005 7.074 -0.588 1.00 14.25 H new ATOM 0 HB3 LEU A 7 13.354 5.362 -0.732 1.00 14.25 H new ATOM 0 HG LEU A 7 11.610 6.437 -2.310 1.00 65.41 H new ATOM 0 HD11 LEU A 7 10.309 4.345 -2.370 1.00 4.43 H new ATOM 0 HD12 LEU A 7 12.051 4.034 -2.182 1.00 4.43 H new ATOM 0 HD13 LEU A 7 10.966 3.896 -0.778 1.00 4.43 H new ATOM 0 HD21 LEU A 7 9.301 6.401 -1.451 1.00 63.41 H new ATOM 0 HD22 LEU A 7 9.918 6.034 0.177 1.00 63.41 H new ATOM 0 HD23 LEU A 7 10.307 7.591 -0.591 1.00 63.41 H new ATOM 120 N LEU A 8 13.178 3.923 2.156 1.00 4.33 N ATOM 121 CA LEU A 8 14.193 3.103 2.808 1.00 23.21 C ATOM 122 C LEU A 8 15.456 3.021 1.957 1.00 64.01 C ATOM 123 O LEU A 8 16.503 3.553 2.328 1.00 30.11 O ATOM 124 CB LEU A 8 13.650 1.697 3.071 1.00 53.32 C ATOM 125 CG LEU A 8 14.286 0.938 4.236 1.00 43.35 C ATOM 126 CD1 LEU A 8 15.761 0.683 3.964 1.00 11.42 C ATOM 127 CD2 LEU A 8 14.107 1.708 5.536 1.00 52.43 C ATOM 0 H LEU A 8 12.264 3.477 2.074 1.00 4.33 H new ATOM 0 HA LEU A 8 14.447 3.572 3.759 1.00 23.21 H new ATOM 0 HB2 LEU A 8 12.578 1.772 3.254 1.00 53.32 H new ATOM 0 HB3 LEU A 8 13.778 1.105 2.165 1.00 53.32 H new ATOM 0 HG LEU A 8 13.784 -0.024 4.335 1.00 43.35 H new ATOM 0 HD11 LEU A 8 16.198 0.142 4.803 1.00 11.42 H new ATOM 0 HD12 LEU A 8 15.866 0.090 3.056 1.00 11.42 H new ATOM 0 HD13 LEU A 8 16.277 1.635 3.838 1.00 11.42 H new ATOM 0 HD21 LEU A 8 14.566 1.153 6.354 1.00 52.43 H new ATOM 0 HD22 LEU A 8 14.583 2.685 5.449 1.00 52.43 H new ATOM 0 HD23 LEU A 8 13.044 1.839 5.738 1.00 52.43 H new ATOM 139 N TYR A 9 15.351 2.353 0.813 1.00 14.44 N ATOM 140 CA TYR A 9 16.484 2.202 -0.091 1.00 23.22 C ATOM 141 C TYR A 9 16.074 1.459 -1.359 1.00 24.44 C ATOM 142 O TYR A 9 16.381 0.281 -1.545 1.00 70.14 O ATOM 143 CB TYR A 9 17.623 1.455 0.606 1.00 70.01 C ATOM 144 CG TYR A 9 18.997 1.849 0.112 1.00 72.40 C ATOM 145 CD1 TYR A 9 19.457 3.153 0.245 1.00 63.44 C ATOM 146 CD2 TYR A 9 19.835 0.916 -0.487 1.00 33.43 C ATOM 147 CE1 TYR A 9 20.711 3.517 -0.206 1.00 24.50 C ATOM 148 CE2 TYR A 9 21.091 1.270 -0.939 1.00 0.31 C ATOM 149 CZ TYR A 9 21.525 2.572 -0.797 1.00 35.03 C ATOM 150 OH TYR A 9 22.775 2.930 -1.246 1.00 0.24 O ATOM 0 H TYR A 9 14.492 1.908 0.490 1.00 14.44 H new ATOM 0 HA TYR A 9 16.829 3.198 -0.371 1.00 23.22 H new ATOM 0 HB2 TYR A 9 17.565 1.640 1.679 1.00 70.01 H new ATOM 0 HB3 TYR A 9 17.487 0.384 0.460 1.00 70.01 H new ATOM 0 HD1 TYR A 9 18.824 3.895 0.709 1.00 63.44 H new ATOM 0 HD2 TYR A 9 19.498 -0.104 -0.601 1.00 33.43 H new ATOM 0 HE1 TYR A 9 21.053 4.536 -0.097 1.00 24.50 H new ATOM 0 HE2 TYR A 9 21.730 0.532 -1.401 1.00 0.31 H new ATOM 0 HH TYR A 9 23.219 2.148 -1.635 1.00 0.24 H new ATOM 160 N PRO A 10 15.364 2.163 -2.252 1.00 63.34 N ATOM 161 CA PRO A 10 14.897 1.592 -3.519 1.00 63.42 C ATOM 162 C PRO A 10 16.041 1.325 -4.492 1.00 3.14 C ATOM 163 O PRO A 10 16.754 2.245 -4.893 1.00 25.03 O ATOM 164 CB PRO A 10 13.965 2.672 -4.073 1.00 43.22 C ATOM 165 CG PRO A 10 14.449 3.941 -3.459 1.00 73.53 C ATOM 166 CD PRO A 10 14.963 3.571 -2.095 1.00 71.25 C ATOM 0 HA PRO A 10 14.414 0.625 -3.376 1.00 63.42 H new ATOM 0 HB2 PRO A 10 14.012 2.715 -5.161 1.00 43.22 H new ATOM 0 HB3 PRO A 10 12.927 2.474 -3.806 1.00 43.22 H new ATOM 0 HG2 PRO A 10 15.236 4.392 -4.064 1.00 73.53 H new ATOM 0 HG3 PRO A 10 13.644 4.672 -3.388 1.00 73.53 H new ATOM 0 HD2 PRO A 10 15.804 4.198 -1.799 1.00 71.25 H new ATOM 0 HD3 PRO A 10 14.194 3.687 -1.331 1.00 71.25 H new ATOM 174 N ARG A 11 16.210 0.062 -4.867 1.00 63.51 N ATOM 175 CA ARG A 11 17.269 -0.325 -5.792 1.00 74.52 C ATOM 176 C ARG A 11 17.238 -1.828 -6.055 1.00 25.33 C ATOM 177 O ARG A 11 17.507 -2.279 -7.168 1.00 4.42 O ATOM 178 CB ARG A 11 18.635 0.079 -5.235 1.00 70.54 C ATOM 179 CG ARG A 11 18.814 -0.250 -3.762 1.00 54.21 C ATOM 180 CD ARG A 11 20.176 -0.867 -3.490 1.00 63.53 C ATOM 181 NE ARG A 11 20.135 -1.819 -2.383 1.00 50.11 N ATOM 182 CZ ARG A 11 21.174 -2.557 -2.009 1.00 3.20 C ATOM 183 NH1 ARG A 11 22.330 -2.453 -2.650 1.00 3.21 N ATOM 184 NH2 ARG A 11 21.059 -3.400 -0.991 1.00 74.44 N ATOM 0 H ARG A 11 15.628 -0.711 -4.545 1.00 63.51 H new ATOM 0 HA ARG A 11 17.102 0.195 -6.735 1.00 74.52 H new ATOM 0 HB2 ARG A 11 19.414 -0.423 -5.808 1.00 70.54 H new ATOM 0 HB3 ARG A 11 18.774 1.151 -5.379 1.00 70.54 H new ATOM 0 HG2 ARG A 11 18.700 0.657 -3.169 1.00 54.21 H new ATOM 0 HG3 ARG A 11 18.031 -0.939 -3.444 1.00 54.21 H new ATOM 0 HD2 ARG A 11 20.531 -1.371 -4.389 1.00 63.53 H new ATOM 0 HD3 ARG A 11 20.893 -0.078 -3.263 1.00 63.53 H new ATOM 0 HE ARG A 11 19.260 -1.923 -1.869 1.00 50.11 H new ATOM 0 HH11 ARG A 11 22.423 -1.805 -3.432 1.00 3.21 H new ATOM 0 HH12 ARG A 11 23.126 -3.021 -2.361 1.00 3.21 H new ATOM 0 HH21 ARG A 11 20.172 -3.482 -0.494 1.00 74.44 H new ATOM 0 HH22 ARG A 11 21.858 -3.966 -0.705 1.00 74.44 H new ATOM 198 N GLU A 12 16.910 -2.598 -5.022 1.00 11.13 N ATOM 199 CA GLU A 12 16.846 -4.050 -5.141 1.00 44.24 C ATOM 200 C GLU A 12 15.888 -4.463 -6.255 1.00 11.52 C ATOM 201 O GLU A 12 16.052 -5.516 -6.869 1.00 50.35 O ATOM 202 CB GLU A 12 16.405 -4.674 -3.816 1.00 61.20 C ATOM 203 CG GLU A 12 16.795 -6.136 -3.672 1.00 51.30 C ATOM 204 CD GLU A 12 15.681 -6.982 -3.087 1.00 53.24 C ATOM 205 OE1 GLU A 12 14.987 -6.496 -2.169 1.00 62.12 O ATOM 206 OE2 GLU A 12 15.502 -8.129 -3.547 1.00 42.23 O ATOM 0 H GLU A 12 16.685 -2.241 -4.094 1.00 11.13 H new ATOM 0 HA GLU A 12 17.843 -4.413 -5.390 1.00 44.24 H new ATOM 0 HB2 GLU A 12 16.842 -4.107 -2.994 1.00 61.20 H new ATOM 0 HB3 GLU A 12 15.323 -4.585 -3.724 1.00 61.20 H new ATOM 0 HG2 GLU A 12 17.072 -6.532 -4.649 1.00 51.30 H new ATOM 0 HG3 GLU A 12 17.676 -6.212 -3.035 1.00 51.30 H new ATOM 213 N GLU A 13 14.887 -3.625 -6.507 1.00 42.51 N ATOM 214 CA GLU A 13 13.902 -3.903 -7.545 1.00 72.11 C ATOM 215 C GLU A 13 14.425 -3.490 -8.918 1.00 4.35 C ATOM 216 O GLU A 13 14.208 -4.183 -9.911 1.00 2.02 O ATOM 217 CB GLU A 13 12.592 -3.171 -7.245 1.00 72.53 C ATOM 218 CG GLU A 13 12.740 -1.661 -7.180 1.00 13.34 C ATOM 219 CD GLU A 13 11.445 -0.963 -6.810 1.00 30.31 C ATOM 220 OE1 GLU A 13 11.168 -0.831 -5.599 1.00 73.42 O ATOM 221 OE2 GLU A 13 10.709 -0.550 -7.730 1.00 43.22 O ATOM 0 H GLU A 13 14.737 -2.749 -6.007 1.00 42.51 H new ATOM 0 HA GLU A 13 13.716 -4.977 -7.555 1.00 72.11 H new ATOM 0 HB2 GLU A 13 11.861 -3.423 -8.013 1.00 72.53 H new ATOM 0 HB3 GLU A 13 12.194 -3.530 -6.296 1.00 72.53 H new ATOM 0 HG2 GLU A 13 13.507 -1.406 -6.449 1.00 13.34 H new ATOM 0 HG3 GLU A 13 13.084 -1.292 -8.146 1.00 13.34 H new ATOM 228 N MET A 14 15.116 -2.355 -8.964 1.00 14.03 N ATOM 229 CA MET A 14 15.671 -1.849 -10.214 1.00 31.13 C ATOM 230 C MET A 14 16.463 -2.935 -10.935 1.00 44.42 C ATOM 231 O MET A 14 16.270 -3.169 -12.128 1.00 61.02 O ATOM 232 CB MET A 14 16.568 -0.639 -9.945 1.00 62.43 C ATOM 233 CG MET A 14 15.852 0.693 -10.095 1.00 4.30 C ATOM 234 SD MET A 14 15.181 1.300 -8.535 1.00 41.14 S ATOM 235 CE MET A 14 16.351 2.600 -8.146 1.00 74.33 C ATOM 0 H MET A 14 15.305 -1.769 -8.151 1.00 14.03 H new ATOM 0 HA MET A 14 14.843 -1.543 -10.854 1.00 31.13 H new ATOM 0 HB2 MET A 14 16.972 -0.714 -8.935 1.00 62.43 H new ATOM 0 HB3 MET A 14 17.416 -0.666 -10.630 1.00 62.43 H new ATOM 0 HG2 MET A 14 16.545 1.430 -10.499 1.00 4.30 H new ATOM 0 HG3 MET A 14 15.043 0.587 -10.817 1.00 4.30 H new ATOM 0 HE1 MET A 14 16.968 2.293 -7.302 1.00 74.33 H new ATOM 0 HE2 MET A 14 16.987 2.788 -9.011 1.00 74.33 H new ATOM 0 HE3 MET A 14 15.810 3.511 -7.888 1.00 74.33 H new ATOM 245 N VAL A 15 17.356 -3.594 -10.204 1.00 64.11 N ATOM 246 CA VAL A 15 18.178 -4.655 -10.774 1.00 74.34 C ATOM 247 C VAL A 15 17.314 -5.794 -11.304 1.00 74.14 C ATOM 248 O VAL A 15 17.687 -6.479 -12.257 1.00 11.22 O ATOM 249 CB VAL A 15 19.168 -5.217 -9.738 1.00 24.15 C ATOM 250 CG1 VAL A 15 20.193 -4.161 -9.351 1.00 33.21 C ATOM 251 CG2 VAL A 15 18.425 -5.725 -8.511 1.00 51.33 C ATOM 0 H VAL A 15 17.529 -3.412 -9.215 1.00 64.11 H new ATOM 0 HA VAL A 15 18.738 -4.213 -11.598 1.00 74.34 H new ATOM 0 HB VAL A 15 19.698 -6.057 -10.187 1.00 24.15 H new ATOM 0 HG11 VAL A 15 20.884 -4.576 -8.618 1.00 33.21 H new ATOM 0 HG12 VAL A 15 20.747 -3.850 -10.237 1.00 33.21 H new ATOM 0 HG13 VAL A 15 19.683 -3.299 -8.921 1.00 33.21 H new ATOM 0 HG21 VAL A 15 19.141 -6.119 -7.789 1.00 51.33 H new ATOM 0 HG22 VAL A 15 17.867 -4.905 -8.058 1.00 51.33 H new ATOM 0 HG23 VAL A 15 17.734 -6.515 -8.805 1.00 51.33 H new ATOM 261 N SER A 16 16.156 -5.991 -10.681 1.00 41.23 N ATOM 262 CA SER A 16 15.239 -7.049 -11.088 1.00 22.20 C ATOM 263 C SER A 16 14.821 -6.876 -12.545 1.00 10.51 C ATOM 264 O SER A 16 14.918 -7.806 -13.346 1.00 42.03 O ATOM 265 CB SER A 16 14.002 -7.055 -10.188 1.00 22.33 C ATOM 266 OG SER A 16 13.661 -8.375 -9.798 1.00 44.53 O ATOM 0 H SER A 16 15.831 -5.432 -9.892 1.00 41.23 H new ATOM 0 HA SER A 16 15.757 -8.003 -10.988 1.00 22.20 H new ATOM 0 HB2 SER A 16 14.190 -6.448 -9.302 1.00 22.33 H new ATOM 0 HB3 SER A 16 13.163 -6.600 -10.715 1.00 22.33 H new ATOM 0 HG SER A 16 12.868 -8.352 -9.222 1.00 44.53 H new ATOM 272 N LEU A 17 14.355 -5.678 -12.881 1.00 41.21 N ATOM 273 CA LEU A 17 13.921 -5.380 -14.242 1.00 3.13 C ATOM 274 C LEU A 17 15.045 -5.638 -15.240 1.00 72.54 C ATOM 275 O LEU A 17 14.938 -6.515 -16.098 1.00 31.20 O ATOM 276 CB LEU A 17 13.458 -3.926 -14.343 1.00 52.34 C ATOM 277 CG LEU A 17 12.334 -3.511 -13.392 1.00 63.25 C ATOM 278 CD1 LEU A 17 11.459 -4.706 -13.048 1.00 31.03 C ATOM 279 CD2 LEU A 17 12.908 -2.886 -12.129 1.00 62.03 C ATOM 0 H LEU A 17 14.268 -4.897 -12.230 1.00 41.21 H new ATOM 0 HA LEU A 17 13.087 -6.038 -14.484 1.00 3.13 H new ATOM 0 HB2 LEU A 17 14.317 -3.279 -14.163 1.00 52.34 H new ATOM 0 HB3 LEU A 17 13.129 -3.741 -15.365 1.00 52.34 H new ATOM 0 HG LEU A 17 11.716 -2.766 -13.893 1.00 63.25 H new ATOM 0 HD11 LEU A 17 10.665 -4.392 -12.371 1.00 31.03 H new ATOM 0 HD12 LEU A 17 11.020 -5.110 -13.960 1.00 31.03 H new ATOM 0 HD13 LEU A 17 12.065 -5.474 -12.566 1.00 31.03 H new ATOM 0 HD21 LEU A 17 12.094 -2.597 -11.464 1.00 62.03 H new ATOM 0 HD22 LEU A 17 13.549 -3.609 -11.625 1.00 62.03 H new ATOM 0 HD23 LEU A 17 13.492 -2.004 -12.392 1.00 62.03 H new ATOM 291 N VAL A 18 16.123 -4.871 -15.122 1.00 4.51 N ATOM 292 CA VAL A 18 17.269 -5.018 -16.012 1.00 33.51 C ATOM 293 C VAL A 18 17.718 -6.473 -16.093 1.00 32.15 C ATOM 294 O VAL A 18 18.206 -6.926 -17.128 1.00 22.12 O ATOM 295 CB VAL A 18 18.455 -4.151 -15.549 1.00 73.43 C ATOM 296 CG1 VAL A 18 18.986 -4.643 -14.211 1.00 51.05 C ATOM 297 CG2 VAL A 18 19.554 -4.149 -16.600 1.00 43.15 C ATOM 0 H VAL A 18 16.227 -4.140 -14.418 1.00 4.51 H new ATOM 0 HA VAL A 18 16.948 -4.684 -16.999 1.00 33.51 H new ATOM 0 HB VAL A 18 18.106 -3.127 -15.419 1.00 73.43 H new ATOM 0 HG11 VAL A 18 19.823 -4.018 -13.900 1.00 51.05 H new ATOM 0 HG12 VAL A 18 18.195 -4.588 -13.463 1.00 51.05 H new ATOM 0 HG13 VAL A 18 19.321 -5.676 -14.310 1.00 51.05 H new ATOM 0 HG21 VAL A 18 20.384 -3.532 -16.257 1.00 43.15 H new ATOM 0 HG22 VAL A 18 19.903 -5.169 -16.763 1.00 43.15 H new ATOM 0 HG23 VAL A 18 19.163 -3.745 -17.534 1.00 43.15 H new ATOM 307 N ARG A 19 17.549 -7.201 -14.993 1.00 53.42 N ATOM 308 CA ARG A 19 17.937 -8.605 -14.939 1.00 43.30 C ATOM 309 C ARG A 19 17.017 -9.457 -15.808 1.00 21.43 C ATOM 310 O ARG A 19 17.463 -10.400 -16.462 1.00 54.13 O ATOM 311 CB ARG A 19 17.905 -9.109 -13.495 1.00 64.42 C ATOM 312 CG ARG A 19 19.211 -8.895 -12.746 1.00 75.22 C ATOM 313 CD ARG A 19 20.058 -10.158 -12.731 1.00 50.24 C ATOM 314 NE ARG A 19 19.390 -11.257 -12.039 1.00 44.03 N ATOM 315 CZ ARG A 19 20.022 -12.339 -11.597 1.00 41.41 C ATOM 316 NH1 ARG A 19 21.330 -12.465 -11.774 1.00 21.14 N ATOM 317 NH2 ARG A 19 19.345 -13.296 -10.976 1.00 63.33 N ATOM 0 H ARG A 19 17.146 -6.841 -14.128 1.00 53.42 H new ATOM 0 HA ARG A 19 18.953 -8.691 -15.324 1.00 43.30 H new ATOM 0 HB2 ARG A 19 17.102 -8.602 -12.960 1.00 64.42 H new ATOM 0 HB3 ARG A 19 17.666 -10.173 -13.495 1.00 64.42 H new ATOM 0 HG2 ARG A 19 19.771 -8.085 -13.214 1.00 75.22 H new ATOM 0 HG3 ARG A 19 18.998 -8.586 -11.723 1.00 75.22 H new ATOM 0 HD2 ARG A 19 20.281 -10.457 -13.755 1.00 50.24 H new ATOM 0 HD3 ARG A 19 21.011 -9.950 -12.245 1.00 50.24 H new ATOM 0 HE ARG A 19 18.384 -11.190 -11.887 1.00 44.03 H new ATOM 0 HH11 ARG A 19 21.853 -11.730 -12.250 1.00 21.14 H new ATOM 0 HH12 ARG A 19 21.813 -13.297 -11.434 1.00 21.14 H new ATOM 0 HH21 ARG A 19 18.339 -13.201 -10.838 1.00 63.33 H new ATOM 0 HH22 ARG A 19 19.831 -14.126 -10.637 1.00 63.33 H new ATOM 331 N SER A 20 15.731 -9.120 -15.808 1.00 5.14 N ATOM 332 CA SER A 20 14.748 -9.857 -16.592 1.00 13.00 C ATOM 333 C SER A 20 15.098 -9.820 -18.076 1.00 62.13 C ATOM 334 O SER A 20 14.893 -10.796 -18.799 1.00 50.03 O ATOM 335 CB SER A 20 13.350 -9.276 -16.372 1.00 13.11 C ATOM 336 OG SER A 20 12.967 -8.443 -17.453 1.00 64.41 O ATOM 0 H SER A 20 15.346 -8.341 -15.274 1.00 5.14 H new ATOM 0 HA SER A 20 14.759 -10.895 -16.260 1.00 13.00 H new ATOM 0 HB2 SER A 20 12.630 -10.086 -16.260 1.00 13.11 H new ATOM 0 HB3 SER A 20 13.332 -8.704 -15.444 1.00 13.11 H new ATOM 0 HG SER A 20 13.441 -7.587 -17.390 1.00 64.41 H new ATOM 342 N LEU A 21 15.628 -8.687 -18.524 1.00 62.34 N ATOM 343 CA LEU A 21 16.008 -8.521 -19.923 1.00 22.10 C ATOM 344 C LEU A 21 17.505 -8.746 -20.111 1.00 2.41 C ATOM 345 O LEU A 21 18.268 -8.751 -19.145 1.00 22.43 O ATOM 346 CB LEU A 21 15.625 -7.124 -20.413 1.00 40.25 C ATOM 347 CG LEU A 21 16.406 -5.960 -19.802 1.00 62.11 C ATOM 348 CD1 LEU A 21 17.142 -5.184 -20.884 1.00 31.34 C ATOM 349 CD2 LEU A 21 15.474 -5.042 -19.025 1.00 2.01 C ATOM 0 H LEU A 21 15.804 -7.870 -17.939 1.00 62.34 H new ATOM 0 HA LEU A 21 15.471 -9.265 -20.511 1.00 22.10 H new ATOM 0 HB2 LEU A 21 15.753 -7.093 -21.495 1.00 40.25 H new ATOM 0 HB3 LEU A 21 14.565 -6.969 -20.213 1.00 40.25 H new ATOM 0 HG LEU A 21 17.144 -6.366 -19.110 1.00 62.11 H new ATOM 0 HD11 LEU A 21 17.692 -4.360 -20.430 1.00 31.34 H new ATOM 0 HD12 LEU A 21 17.839 -5.847 -21.397 1.00 31.34 H new ATOM 0 HD13 LEU A 21 16.423 -4.789 -21.601 1.00 31.34 H new ATOM 0 HD21 LEU A 21 16.047 -4.219 -18.597 1.00 2.01 H new ATOM 0 HD22 LEU A 21 14.713 -4.644 -19.696 1.00 2.01 H new ATOM 0 HD23 LEU A 21 14.993 -5.604 -18.224 1.00 2.01 H new ATOM 361 N ASP A 22 17.918 -8.928 -21.360 1.00 45.11 N ATOM 362 CA ASP A 22 19.325 -9.149 -21.676 1.00 30.45 C ATOM 363 C ASP A 22 19.515 -9.391 -23.170 1.00 3.13 C ATOM 364 O ASP A 22 19.372 -10.515 -23.650 1.00 25.51 O ATOM 365 CB ASP A 22 19.867 -10.339 -20.881 1.00 53.30 C ATOM 366 CG ASP A 22 21.170 -10.018 -20.176 1.00 20.51 C ATOM 367 OD1 ASP A 22 22.022 -9.338 -20.785 1.00 31.33 O ATOM 368 OD2 ASP A 22 21.339 -10.449 -19.015 1.00 54.25 O ATOM 0 H ASP A 22 17.299 -8.927 -22.171 1.00 45.11 H new ATOM 0 HA ASP A 22 19.880 -8.253 -21.398 1.00 30.45 H new ATOM 0 HB2 ASP A 22 19.125 -10.649 -20.145 1.00 53.30 H new ATOM 0 HB3 ASP A 22 20.019 -11.183 -21.554 1.00 53.30 H new ATOM 373 N ARG A 23 19.837 -8.328 -23.900 1.00 1.25 N ATOM 374 CA ARG A 23 20.045 -8.424 -25.339 1.00 55.14 C ATOM 375 C ARG A 23 20.500 -7.086 -25.914 1.00 5.35 C ATOM 376 O ARG A 23 19.788 -6.436 -26.679 1.00 1.53 O ATOM 377 CB ARG A 23 18.758 -8.877 -26.032 1.00 40.54 C ATOM 378 CG ARG A 23 18.998 -9.641 -27.324 1.00 24.44 C ATOM 379 CD ARG A 23 18.805 -11.137 -27.130 1.00 34.15 C ATOM 380 NE ARG A 23 19.722 -11.683 -26.133 1.00 32.12 N ATOM 381 CZ ARG A 23 20.000 -12.977 -26.021 1.00 22.10 C ATOM 382 NH1 ARG A 23 19.435 -13.853 -26.840 1.00 64.33 N ATOM 383 NH2 ARG A 23 20.846 -13.397 -25.088 1.00 55.03 N ATOM 0 H ARG A 23 19.959 -7.390 -23.518 1.00 1.25 H new ATOM 0 HA ARG A 23 20.827 -9.162 -25.519 1.00 55.14 H new ATOM 0 HB2 ARG A 23 18.189 -9.507 -25.348 1.00 40.54 H new ATOM 0 HB3 ARG A 23 18.143 -8.003 -26.246 1.00 40.54 H new ATOM 0 HG2 ARG A 23 18.314 -9.281 -28.093 1.00 24.44 H new ATOM 0 HG3 ARG A 23 20.010 -9.447 -27.681 1.00 24.44 H new ATOM 0 HD2 ARG A 23 17.778 -11.333 -26.823 1.00 34.15 H new ATOM 0 HD3 ARG A 23 18.957 -11.648 -28.081 1.00 34.15 H new ATOM 0 HE ARG A 23 20.174 -11.035 -25.487 1.00 32.12 H new ATOM 0 HH11 ARG A 23 18.785 -13.534 -27.558 1.00 64.33 H new ATOM 0 HH12 ARG A 23 19.650 -14.846 -26.752 1.00 64.33 H new ATOM 0 HH21 ARG A 23 21.283 -12.726 -24.456 1.00 55.03 H new ATOM 0 HH22 ARG A 23 21.059 -14.391 -25.003 1.00 55.03 H new ATOM 397 N PRO A 24 21.716 -6.663 -25.536 1.00 42.01 N ATOM 398 CA PRO A 24 22.294 -5.399 -26.001 1.00 45.14 C ATOM 399 C PRO A 24 22.660 -5.439 -27.481 1.00 40.43 C ATOM 400 O PRO A 24 23.828 -5.590 -27.837 1.00 24.42 O ATOM 401 CB PRO A 24 23.553 -5.248 -25.144 1.00 2.54 C ATOM 402 CG PRO A 24 23.918 -6.639 -24.758 1.00 23.41 C ATOM 403 CD PRO A 24 22.620 -7.387 -24.626 1.00 41.25 C ATOM 0 HA PRO A 24 21.593 -4.570 -25.903 1.00 45.14 H new ATOM 0 HB2 PRO A 24 24.357 -4.768 -25.703 1.00 2.54 H new ATOM 0 HB3 PRO A 24 23.363 -4.631 -24.266 1.00 2.54 H new ATOM 0 HG2 PRO A 24 24.558 -7.098 -25.512 1.00 23.41 H new ATOM 0 HG3 PRO A 24 24.472 -6.651 -23.820 1.00 23.41 H new ATOM 0 HD2 PRO A 24 22.728 -8.433 -24.914 1.00 41.25 H new ATOM 0 HD3 PRO A 24 22.252 -7.375 -23.600 1.00 41.25 H new ATOM 411 N GLN A 25 21.654 -5.301 -28.339 1.00 12.24 N ATOM 412 CA GLN A 25 21.871 -5.321 -29.780 1.00 71.43 C ATOM 413 C GLN A 25 22.755 -4.157 -30.214 1.00 61.03 C ATOM 414 O GLN A 25 23.742 -4.347 -30.924 1.00 41.32 O ATOM 415 CB GLN A 25 20.533 -5.265 -30.520 1.00 0.43 C ATOM 416 CG GLN A 25 19.558 -6.351 -30.097 1.00 34.21 C ATOM 417 CD GLN A 25 18.999 -7.125 -31.275 1.00 3.10 C ATOM 418 OE1 GLN A 25 17.798 -7.088 -31.544 1.00 43.40 O ATOM 419 NE2 GLN A 25 19.870 -7.832 -31.985 1.00 63.04 N ATOM 0 H GLN A 25 20.681 -5.174 -28.061 1.00 12.24 H new ATOM 0 HA GLN A 25 22.379 -6.252 -30.032 1.00 71.43 H new ATOM 0 HB2 GLN A 25 20.074 -4.291 -30.351 1.00 0.43 H new ATOM 0 HB3 GLN A 25 20.716 -5.350 -31.591 1.00 0.43 H new ATOM 0 HG2 GLN A 25 20.061 -7.041 -29.419 1.00 34.21 H new ATOM 0 HG3 GLN A 25 18.736 -5.900 -29.541 1.00 34.21 H new ATOM 0 HE21 GLN A 25 20.857 -7.834 -31.726 1.00 63.04 H new ATOM 0 HE22 GLN A 25 19.553 -8.373 -32.789 1.00 63.04 H new ATOM 428 N GLU A 26 22.393 -2.953 -29.783 1.00 3.31 N ATOM 429 CA GLU A 26 23.154 -1.758 -30.129 1.00 1.22 C ATOM 430 C GLU A 26 24.426 -1.661 -29.291 1.00 13.12 C ATOM 431 O GLU A 26 25.515 -1.442 -29.819 1.00 72.14 O ATOM 432 CB GLU A 26 22.299 -0.505 -29.925 1.00 63.22 C ATOM 433 CG GLU A 26 21.856 0.147 -31.224 1.00 31.20 C ATOM 434 CD GLU A 26 20.497 -0.342 -31.688 1.00 3.42 C ATOM 435 OE1 GLU A 26 19.526 -0.220 -30.913 1.00 21.34 O ATOM 436 OE2 GLU A 26 20.406 -0.845 -32.827 1.00 70.21 O ATOM 0 H GLU A 26 21.578 -2.779 -29.194 1.00 3.31 H new ATOM 0 HA GLU A 26 23.436 -1.830 -31.179 1.00 1.22 H new ATOM 0 HB2 GLU A 26 21.417 -0.768 -29.341 1.00 63.22 H new ATOM 0 HB3 GLU A 26 22.865 0.219 -29.339 1.00 63.22 H new ATOM 0 HG2 GLU A 26 21.823 1.228 -31.091 1.00 31.20 H new ATOM 0 HG3 GLU A 26 22.595 -0.056 -31.999 1.00 31.20 H new ATOM 443 N ASN A 27 24.278 -1.825 -27.980 1.00 75.12 N ATOM 444 CA ASN A 27 25.413 -1.755 -27.068 1.00 22.11 C ATOM 445 C ASN A 27 26.213 -0.475 -27.292 1.00 61.42 C ATOM 446 O ASN A 27 27.397 -0.521 -27.625 1.00 55.21 O ATOM 447 CB ASN A 27 26.318 -2.975 -27.253 1.00 5.42 C ATOM 448 CG ASN A 27 27.270 -3.170 -26.089 1.00 4.15 C ATOM 449 OD1 ASN A 27 28.489 -3.167 -26.262 1.00 22.33 O ATOM 450 ND2 ASN A 27 26.716 -3.341 -24.894 1.00 3.11 N ATOM 0 H ASN A 27 23.383 -2.007 -27.526 1.00 75.12 H new ATOM 0 HA ASN A 27 25.028 -1.748 -26.048 1.00 22.11 H new ATOM 0 HB2 ASN A 27 25.702 -3.867 -27.368 1.00 5.42 H new ATOM 0 HB3 ASN A 27 26.892 -2.862 -28.173 1.00 5.42 H new ATOM 0 HD21 ASN A 27 27.306 -3.477 -24.073 1.00 3.11 H new ATOM 0 HD22 ASN A 27 25.701 -3.336 -24.797 1.00 3.11 H new ATOM 457 N GLY A 28 25.557 0.666 -27.106 1.00 43.45 N ATOM 458 CA GLY A 28 26.223 1.943 -27.292 1.00 75.33 C ATOM 459 C GLY A 28 25.449 3.094 -26.680 1.00 64.05 C ATOM 460 O GLY A 28 26.039 4.025 -26.131 1.00 42.40 O ATOM 0 H GLY A 28 24.577 0.730 -26.830 1.00 43.45 H new ATOM 0 HA2 GLY A 28 27.217 1.900 -26.846 1.00 75.33 H new ATOM 0 HA3 GLY A 28 26.359 2.127 -28.358 1.00 75.33 H new ATOM 464 N LEU A 29 24.126 3.033 -26.776 1.00 71.32 N ATOM 465 CA LEU A 29 23.270 4.080 -26.229 1.00 31.42 C ATOM 466 C LEU A 29 21.801 3.677 -26.306 1.00 14.41 C ATOM 467 O LEU A 29 21.017 3.975 -25.404 1.00 74.53 O ATOM 468 CB LEU A 29 23.491 5.392 -26.982 1.00 3.51 C ATOM 469 CG LEU A 29 22.448 6.485 -26.747 1.00 0.32 C ATOM 470 CD1 LEU A 29 23.096 7.860 -26.789 1.00 45.31 C ATOM 471 CD2 LEU A 29 21.332 6.388 -27.777 1.00 22.01 C ATOM 0 H LEU A 29 23.622 2.270 -27.228 1.00 71.32 H new ATOM 0 HA LEU A 29 23.535 4.221 -25.181 1.00 31.42 H new ATOM 0 HB2 LEU A 29 24.469 5.786 -26.706 1.00 3.51 H new ATOM 0 HB3 LEU A 29 23.525 5.174 -28.049 1.00 3.51 H new ATOM 0 HG LEU A 29 22.015 6.340 -25.757 1.00 0.32 H new ATOM 0 HD11 LEU A 29 22.338 8.625 -26.620 1.00 45.31 H new ATOM 0 HD12 LEU A 29 23.858 7.927 -26.013 1.00 45.31 H new ATOM 0 HD13 LEU A 29 23.557 8.015 -27.765 1.00 45.31 H new ATOM 0 HD21 LEU A 29 20.599 7.174 -27.594 1.00 22.01 H new ATOM 0 HD22 LEU A 29 21.749 6.506 -28.777 1.00 22.01 H new ATOM 0 HD23 LEU A 29 20.848 5.415 -27.698 1.00 22.01 H new ATOM 483 N PHE A 30 21.435 2.998 -27.388 1.00 35.13 N ATOM 484 CA PHE A 30 20.059 2.553 -27.582 1.00 44.32 C ATOM 485 C PHE A 30 19.652 1.555 -26.502 1.00 5.40 C ATOM 486 O PHE A 30 18.468 1.283 -26.308 1.00 12.44 O ATOM 487 CB PHE A 30 19.897 1.919 -28.965 1.00 53.53 C ATOM 488 CG PHE A 30 19.302 2.849 -29.985 1.00 24.15 C ATOM 489 CD1 PHE A 30 20.016 3.945 -30.441 1.00 52.40 C ATOM 490 CD2 PHE A 30 18.030 2.626 -30.486 1.00 11.43 C ATOM 491 CE1 PHE A 30 19.472 4.803 -31.379 1.00 70.42 C ATOM 492 CE2 PHE A 30 17.481 3.480 -31.424 1.00 61.32 C ATOM 493 CZ PHE A 30 18.202 4.570 -31.871 1.00 24.24 C ATOM 0 H PHE A 30 22.071 2.744 -28.144 1.00 35.13 H new ATOM 0 HA PHE A 30 19.408 3.424 -27.510 1.00 44.32 H new ATOM 0 HB2 PHE A 30 20.872 1.581 -29.318 1.00 53.53 H new ATOM 0 HB3 PHE A 30 19.265 1.035 -28.879 1.00 53.53 H new ATOM 0 HD1 PHE A 30 21.009 4.131 -30.059 1.00 52.40 H new ATOM 0 HD2 PHE A 30 17.461 1.776 -30.140 1.00 11.43 H new ATOM 0 HE1 PHE A 30 20.039 5.654 -31.727 1.00 70.42 H new ATOM 0 HE2 PHE A 30 16.488 3.295 -31.807 1.00 61.32 H new ATOM 0 HZ PHE A 30 17.774 5.239 -32.603 1.00 24.24 H new ATOM 503 N SER A 31 20.644 1.013 -25.802 1.00 72.34 N ATOM 504 CA SER A 31 20.391 0.042 -24.745 1.00 34.54 C ATOM 505 C SER A 31 21.419 0.177 -23.626 1.00 32.45 C ATOM 506 O SER A 31 21.612 -0.744 -22.832 1.00 14.12 O ATOM 507 CB SER A 31 20.420 -1.380 -25.310 1.00 55.44 C ATOM 508 OG SER A 31 19.501 -1.521 -26.380 1.00 64.35 O ATOM 0 H SER A 31 21.630 1.230 -25.948 1.00 72.34 H new ATOM 0 HA SER A 31 19.402 0.241 -24.333 1.00 34.54 H new ATOM 0 HB2 SER A 31 21.426 -1.617 -25.656 1.00 55.44 H new ATOM 0 HB3 SER A 31 20.178 -2.093 -24.522 1.00 55.44 H new ATOM 0 HG SER A 31 19.539 -2.437 -26.725 1.00 64.35 H new ATOM 514 N GLN A 32 22.076 1.331 -23.570 1.00 74.32 N ATOM 515 CA GLN A 32 23.085 1.587 -22.549 1.00 71.53 C ATOM 516 C GLN A 32 23.136 3.069 -22.193 1.00 75.43 C ATOM 517 O GLN A 32 22.387 3.876 -22.745 1.00 31.51 O ATOM 518 CB GLN A 32 24.459 1.119 -23.032 1.00 31.51 C ATOM 519 CG GLN A 32 25.053 0.003 -22.187 1.00 1.21 C ATOM 520 CD GLN A 32 24.301 -1.305 -22.335 1.00 2.22 C ATOM 521 OE1 GLN A 32 23.930 -1.936 -21.345 1.00 32.00 O ATOM 522 NE2 GLN A 32 24.072 -1.719 -23.575 1.00 65.54 N ATOM 0 H GLN A 32 21.928 2.103 -24.220 1.00 74.32 H new ATOM 0 HA GLN A 32 22.811 1.027 -21.655 1.00 71.53 H new ATOM 0 HB2 GLN A 32 24.375 0.777 -24.064 1.00 31.51 H new ATOM 0 HB3 GLN A 32 25.143 1.967 -23.032 1.00 31.51 H new ATOM 0 HG2 GLN A 32 26.095 -0.147 -22.471 1.00 1.21 H new ATOM 0 HG3 GLN A 32 25.048 0.304 -21.139 1.00 1.21 H new ATOM 0 HE21 GLN A 32 24.398 -1.164 -24.366 1.00 65.54 H new ATOM 0 HE22 GLN A 32 23.570 -2.592 -23.737 1.00 65.54 H new ATOM 531 N ASP A 33 24.022 3.420 -21.268 1.00 61.35 N ATOM 532 CA ASP A 33 24.171 4.805 -20.839 1.00 41.40 C ATOM 533 C ASP A 33 25.407 5.440 -21.470 1.00 15.00 C ATOM 534 O ASP A 33 26.538 5.088 -21.135 1.00 53.13 O ATOM 535 CB ASP A 33 24.265 4.882 -19.314 1.00 64.24 C ATOM 536 CG ASP A 33 22.941 4.589 -18.637 1.00 50.50 C ATOM 537 OD1 ASP A 33 22.333 3.544 -18.948 1.00 61.32 O ATOM 538 OD2 ASP A 33 22.513 5.406 -17.795 1.00 52.00 O ATOM 0 H ASP A 33 24.648 2.764 -20.801 1.00 61.35 H new ATOM 0 HA ASP A 33 23.292 5.358 -21.169 1.00 41.40 H new ATOM 0 HB2 ASP A 33 25.014 4.172 -18.963 1.00 64.24 H new ATOM 0 HB3 ASP A 33 24.606 5.876 -19.024 1.00 64.24 H new ATOM 543 N VAL A 34 25.182 6.377 -22.386 1.00 20.02 N ATOM 544 CA VAL A 34 26.277 7.061 -23.064 1.00 74.00 C ATOM 545 C VAL A 34 27.216 7.722 -22.062 1.00 41.40 C ATOM 546 O VAL A 34 28.395 7.936 -22.347 1.00 41.44 O ATOM 547 CB VAL A 34 25.751 8.129 -24.041 1.00 41.41 C ATOM 548 CG1 VAL A 34 24.842 9.112 -23.319 1.00 54.13 C ATOM 549 CG2 VAL A 34 26.909 8.855 -24.710 1.00 61.51 C ATOM 0 H VAL A 34 24.252 6.680 -22.675 1.00 20.02 H new ATOM 0 HA VAL A 34 26.825 6.304 -23.625 1.00 74.00 H new ATOM 0 HB VAL A 34 25.167 7.632 -24.815 1.00 41.41 H new ATOM 0 HG11 VAL A 34 24.480 9.859 -24.025 1.00 54.13 H new ATOM 0 HG12 VAL A 34 23.994 8.577 -22.891 1.00 54.13 H new ATOM 0 HG13 VAL A 34 25.399 9.605 -22.523 1.00 54.13 H new ATOM 0 HG21 VAL A 34 26.519 9.606 -25.397 1.00 61.51 H new ATOM 0 HG22 VAL A 34 27.521 9.341 -23.950 1.00 61.51 H new ATOM 0 HG23 VAL A 34 27.517 8.139 -25.262 1.00 61.51 H new ATOM 559 N LEU A 35 26.687 8.044 -20.887 1.00 21.13 N ATOM 560 CA LEU A 35 27.479 8.681 -19.840 1.00 54.20 C ATOM 561 C LEU A 35 28.533 7.723 -19.295 1.00 51.00 C ATOM 562 O LEU A 35 29.447 8.132 -18.578 1.00 22.43 O ATOM 563 CB LEU A 35 26.570 9.157 -18.705 1.00 4.40 C ATOM 564 CG LEU A 35 26.860 10.555 -18.155 1.00 71.51 C ATOM 565 CD1 LEU A 35 25.963 10.856 -16.964 1.00 62.23 C ATOM 566 CD2 LEU A 35 28.326 10.682 -17.767 1.00 32.21 C ATOM 0 H LEU A 35 25.713 7.875 -20.635 1.00 21.13 H new ATOM 0 HA LEU A 35 27.988 9.541 -20.276 1.00 54.20 H new ATOM 0 HB2 LEU A 35 25.539 9.134 -19.058 1.00 4.40 H new ATOM 0 HB3 LEU A 35 26.642 8.443 -17.884 1.00 4.40 H new ATOM 0 HG LEU A 35 26.648 11.284 -18.937 1.00 71.51 H new ATOM 0 HD11 LEU A 35 26.183 11.854 -16.586 1.00 62.23 H new ATOM 0 HD12 LEU A 35 24.919 10.807 -17.273 1.00 62.23 H new ATOM 0 HD13 LEU A 35 26.143 10.122 -16.178 1.00 62.23 H new ATOM 0 HD21 LEU A 35 28.514 11.683 -17.378 1.00 32.21 H new ATOM 0 HD22 LEU A 35 28.565 9.944 -17.001 1.00 32.21 H new ATOM 0 HD23 LEU A 35 28.951 10.510 -18.644 1.00 32.21 H new ATOM 578 N LEU A 36 28.401 6.447 -19.641 1.00 50.44 N ATOM 579 CA LEU A 36 29.344 5.430 -19.189 1.00 12.30 C ATOM 580 C LEU A 36 30.274 5.007 -20.322 1.00 12.53 C ATOM 581 O LEU A 36 30.775 3.884 -20.338 1.00 63.22 O ATOM 582 CB LEU A 36 28.591 4.212 -18.650 1.00 50.44 C ATOM 583 CG LEU A 36 27.982 4.363 -17.256 1.00 75.31 C ATOM 584 CD1 LEU A 36 26.816 5.339 -17.285 1.00 42.54 C ATOM 585 CD2 LEU A 36 27.533 3.010 -16.722 1.00 10.45 C ATOM 0 H LEU A 36 27.650 6.092 -20.233 1.00 50.44 H new ATOM 0 HA LEU A 36 29.948 5.859 -18.390 1.00 12.30 H new ATOM 0 HB2 LEU A 36 27.792 3.965 -19.349 1.00 50.44 H new ATOM 0 HB3 LEU A 36 29.275 3.364 -18.636 1.00 50.44 H new ATOM 0 HG LEU A 36 28.746 4.761 -16.588 1.00 75.31 H new ATOM 0 HD11 LEU A 36 26.396 5.433 -16.284 1.00 42.54 H new ATOM 0 HD12 LEU A 36 27.166 6.314 -17.625 1.00 42.54 H new ATOM 0 HD13 LEU A 36 26.050 4.970 -17.967 1.00 42.54 H new ATOM 0 HD21 LEU A 36 27.102 3.136 -15.729 1.00 10.45 H new ATOM 0 HD22 LEU A 36 26.785 2.585 -17.391 1.00 10.45 H new ATOM 0 HD23 LEU A 36 28.390 2.339 -16.663 1.00 10.45 H new ATOM 597 N GLN A 37 30.500 5.916 -21.265 1.00 3.12 N ATOM 598 CA GLN A 37 31.372 5.637 -22.400 1.00 54.02 C ATOM 599 C GLN A 37 32.752 6.251 -22.191 1.00 52.42 C ATOM 600 O GLN A 37 33.732 5.540 -21.968 1.00 15.13 O ATOM 601 CB GLN A 37 30.751 6.175 -23.691 1.00 31.13 C ATOM 602 CG GLN A 37 29.328 5.696 -23.927 1.00 33.01 C ATOM 603 CD GLN A 37 29.268 4.263 -24.417 1.00 61.32 C ATOM 604 OE1 GLN A 37 30.271 3.704 -24.862 1.00 4.31 O ATOM 605 NE2 GLN A 37 28.088 3.658 -24.338 1.00 43.33 N ATOM 0 H GLN A 37 30.092 6.851 -21.266 1.00 3.12 H new ATOM 0 HA GLN A 37 31.485 4.556 -22.482 1.00 54.02 H new ATOM 0 HB2 GLN A 37 30.759 7.265 -23.661 1.00 31.13 H new ATOM 0 HB3 GLN A 37 31.371 5.875 -24.535 1.00 31.13 H new ATOM 0 HG2 GLN A 37 28.761 5.783 -23.000 1.00 33.01 H new ATOM 0 HG3 GLN A 37 28.846 6.346 -24.657 1.00 33.01 H new ATOM 0 HE21 GLN A 37 27.282 4.158 -23.962 1.00 43.33 H new ATOM 0 HE22 GLN A 37 27.988 2.693 -24.653 1.00 43.33 H new ATOM 614 N TYR A 38 32.822 7.576 -22.266 1.00 34.22 N ATOM 615 CA TYR A 38 34.083 8.286 -22.088 1.00 35.14 C ATOM 616 C TYR A 38 33.838 9.750 -21.735 1.00 21.02 C ATOM 617 O TYR A 38 32.785 10.318 -22.026 1.00 45.22 O ATOM 618 CB TYR A 38 34.930 8.190 -23.358 1.00 13.35 C ATOM 619 CG TYR A 38 35.800 6.955 -23.413 1.00 73.04 C ATOM 620 CD1 TYR A 38 36.645 6.629 -22.360 1.00 63.21 C ATOM 621 CD2 TYR A 38 35.777 6.115 -24.520 1.00 21.45 C ATOM 622 CE1 TYR A 38 37.443 5.502 -22.407 1.00 34.51 C ATOM 623 CE2 TYR A 38 36.570 4.985 -24.574 1.00 73.53 C ATOM 624 CZ TYR A 38 37.401 4.682 -23.516 1.00 12.42 C ATOM 625 OH TYR A 38 38.193 3.558 -23.567 1.00 40.32 O ATOM 0 H TYR A 38 32.020 8.180 -22.449 1.00 34.22 H new ATOM 0 HA TYR A 38 34.622 7.818 -21.264 1.00 35.14 H new ATOM 0 HB2 TYR A 38 34.271 8.199 -24.226 1.00 13.35 H new ATOM 0 HB3 TYR A 38 35.564 9.074 -23.430 1.00 13.35 H new ATOM 0 HD1 TYR A 38 36.679 7.267 -21.490 1.00 63.21 H new ATOM 0 HD2 TYR A 38 35.129 6.349 -25.351 1.00 21.45 H new ATOM 0 HE1 TYR A 38 38.096 5.264 -21.580 1.00 34.51 H new ATOM 0 HE2 TYR A 38 36.539 4.342 -25.441 1.00 73.53 H new ATOM 0 HH TYR A 38 38.043 3.090 -24.415 1.00 40.32 H new ATOM 635 N PRO A 39 34.835 10.377 -21.092 1.00 74.21 N ATOM 636 CA PRO A 39 34.754 11.783 -20.686 1.00 54.10 C ATOM 637 C PRO A 39 34.793 12.734 -21.878 1.00 32.33 C ATOM 638 O PRO A 39 35.838 13.299 -22.198 1.00 30.33 O ATOM 639 CB PRO A 39 35.995 11.972 -19.811 1.00 20.54 C ATOM 640 CG PRO A 39 36.954 10.935 -20.285 1.00 42.23 C ATOM 641 CD PRO A 39 36.117 9.761 -20.713 1.00 4.32 C ATOM 0 HA PRO A 39 33.817 12.006 -20.175 1.00 54.10 H new ATOM 0 HB2 PRO A 39 36.409 12.974 -19.922 1.00 20.54 H new ATOM 0 HB3 PRO A 39 35.759 11.840 -18.755 1.00 20.54 H new ATOM 0 HG2 PRO A 39 37.555 11.309 -21.114 1.00 42.23 H new ATOM 0 HG3 PRO A 39 37.646 10.652 -19.492 1.00 42.23 H new ATOM 0 HD2 PRO A 39 36.570 9.228 -21.549 1.00 4.32 H new ATOM 0 HD3 PRO A 39 35.993 9.040 -19.905 1.00 4.32 H new ATOM 649 N GLU A 40 33.647 12.905 -22.530 1.00 2.41 N ATOM 650 CA GLU A 40 33.552 13.788 -23.687 1.00 5.13 C ATOM 651 C GLU A 40 32.112 13.883 -24.182 1.00 2.52 C ATOM 652 O GLU A 40 31.670 14.937 -24.642 1.00 2.21 O ATOM 653 CB GLU A 40 34.459 13.288 -24.814 1.00 34.35 C ATOM 654 CG GLU A 40 34.436 11.778 -24.988 1.00 3.43 C ATOM 655 CD GLU A 40 35.802 11.149 -24.794 1.00 60.41 C ATOM 656 OE1 GLU A 40 36.330 11.211 -23.664 1.00 42.44 O ATOM 657 OE2 GLU A 40 36.342 10.592 -25.773 1.00 43.42 O ATOM 0 H GLU A 40 32.773 12.444 -22.277 1.00 2.41 H new ATOM 0 HA GLU A 40 33.879 14.782 -23.381 1.00 5.13 H new ATOM 0 HB2 GLU A 40 34.155 13.758 -25.749 1.00 34.35 H new ATOM 0 HB3 GLU A 40 35.482 13.607 -24.615 1.00 34.35 H new ATOM 0 HG2 GLU A 40 33.735 11.344 -24.274 1.00 3.43 H new ATOM 0 HG3 GLU A 40 34.067 11.536 -25.985 1.00 3.43 H new ATOM 664 N LEU A 41 31.385 12.776 -24.085 1.00 21.02 N ATOM 665 CA LEU A 41 29.994 12.733 -24.523 1.00 22.01 C ATOM 666 C LEU A 41 29.047 12.720 -23.327 1.00 51.14 C ATOM 667 O LEU A 41 27.838 12.547 -23.482 1.00 45.14 O ATOM 668 CB LEU A 41 29.751 11.499 -25.394 1.00 2.21 C ATOM 669 CG LEU A 41 30.294 10.177 -24.851 1.00 63.12 C ATOM 670 CD1 LEU A 41 31.775 10.037 -25.169 1.00 51.21 C ATOM 671 CD2 LEU A 41 30.057 10.079 -23.351 1.00 64.52 C ATOM 0 H LEU A 41 31.735 11.896 -23.707 1.00 21.02 H new ATOM 0 HA LEU A 41 29.796 13.629 -25.110 1.00 22.01 H new ATOM 0 HB2 LEU A 41 28.677 11.392 -25.546 1.00 2.21 H new ATOM 0 HB3 LEU A 41 30.196 11.677 -26.373 1.00 2.21 H new ATOM 0 HG LEU A 41 29.760 9.360 -25.337 1.00 63.12 H new ATOM 0 HD11 LEU A 41 32.144 9.090 -24.775 1.00 51.21 H new ATOM 0 HD12 LEU A 41 31.919 10.061 -26.249 1.00 51.21 H new ATOM 0 HD13 LEU A 41 32.325 10.859 -24.711 1.00 51.21 H new ATOM 0 HD21 LEU A 41 30.450 9.132 -22.982 1.00 64.52 H new ATOM 0 HD22 LEU A 41 30.564 10.903 -22.848 1.00 64.52 H new ATOM 0 HD23 LEU A 41 28.988 10.132 -23.147 1.00 64.52 H new ATOM 683 N ALA A 42 29.604 12.907 -22.135 1.00 62.54 N ATOM 684 CA ALA A 42 28.809 12.921 -20.914 1.00 73.30 C ATOM 685 C ALA A 42 27.714 13.980 -20.984 1.00 42.11 C ATOM 686 O ALA A 42 26.632 13.805 -20.424 1.00 44.14 O ATOM 687 CB ALA A 42 29.701 13.160 -19.706 1.00 5.45 C ATOM 0 H ALA A 42 30.603 13.051 -21.989 1.00 62.54 H new ATOM 0 HA ALA A 42 28.330 11.947 -20.811 1.00 73.30 H new ATOM 0 HB1 ALA A 42 29.094 13.168 -18.801 1.00 5.45 H new ATOM 0 HB2 ALA A 42 30.443 12.364 -19.638 1.00 5.45 H new ATOM 0 HB3 ALA A 42 30.207 14.120 -19.812 1.00 5.45 H new ATOM 693 N GLU A 43 28.004 15.079 -21.674 1.00 74.22 N ATOM 694 CA GLU A 43 27.043 16.167 -21.815 1.00 70.20 C ATOM 695 C GLU A 43 25.914 15.776 -22.764 1.00 51.24 C ATOM 696 O GLU A 43 24.737 15.976 -22.462 1.00 45.55 O ATOM 697 CB GLU A 43 27.740 17.429 -22.326 1.00 41.32 C ATOM 698 CG GLU A 43 28.506 18.180 -21.250 1.00 13.23 C ATOM 699 CD GLU A 43 28.900 19.579 -21.682 1.00 53.12 C ATOM 700 OE1 GLU A 43 28.641 19.935 -22.851 1.00 34.43 O ATOM 701 OE2 GLU A 43 29.467 20.319 -20.851 1.00 23.51 O ATOM 0 H GLU A 43 28.895 15.239 -22.143 1.00 74.22 H new ATOM 0 HA GLU A 43 26.615 16.369 -20.833 1.00 70.20 H new ATOM 0 HB2 GLU A 43 28.428 17.155 -23.126 1.00 41.32 H new ATOM 0 HB3 GLU A 43 26.994 18.095 -22.761 1.00 41.32 H new ATOM 0 HG2 GLU A 43 27.895 18.241 -20.350 1.00 13.23 H new ATOM 0 HG3 GLU A 43 29.403 17.618 -20.989 1.00 13.23 H new ATOM 708 N SER A 44 26.281 15.218 -23.914 1.00 3.35 N ATOM 709 CA SER A 44 25.301 14.803 -24.910 1.00 14.43 C ATOM 710 C SER A 44 24.247 13.892 -24.288 1.00 13.11 C ATOM 711 O SER A 44 23.101 13.852 -24.738 1.00 2.15 O ATOM 712 CB SER A 44 25.993 14.084 -26.069 1.00 51.42 C ATOM 713 OG SER A 44 25.899 12.678 -25.926 1.00 32.31 O ATOM 0 H SER A 44 27.251 15.043 -24.178 1.00 3.35 H new ATOM 0 HA SER A 44 24.806 15.696 -25.290 1.00 14.43 H new ATOM 0 HB2 SER A 44 25.539 14.388 -27.012 1.00 51.42 H new ATOM 0 HB3 SER A 44 27.041 14.379 -26.110 1.00 51.42 H new ATOM 0 HG SER A 44 26.446 12.389 -25.166 1.00 32.31 H new ATOM 719 N TYR A 45 24.643 13.162 -23.252 1.00 33.25 N ATOM 720 CA TYR A 45 23.734 12.249 -22.568 1.00 63.54 C ATOM 721 C TYR A 45 22.439 12.956 -22.182 1.00 51.04 C ATOM 722 O TYR A 45 21.363 12.358 -22.194 1.00 34.35 O ATOM 723 CB TYR A 45 24.403 11.669 -21.321 1.00 21.31 C ATOM 724 CG TYR A 45 23.474 10.836 -20.467 1.00 73.13 C ATOM 725 CD1 TYR A 45 22.610 9.912 -21.043 1.00 25.11 C ATOM 726 CD2 TYR A 45 23.460 10.972 -19.085 1.00 14.55 C ATOM 727 CE1 TYR A 45 21.759 9.150 -20.267 1.00 22.43 C ATOM 728 CE2 TYR A 45 22.613 10.213 -18.300 1.00 53.33 C ATOM 729 CZ TYR A 45 21.764 9.304 -18.896 1.00 62.31 C ATOM 730 OH TYR A 45 20.919 8.545 -18.119 1.00 53.13 O ATOM 0 H TYR A 45 25.587 13.184 -22.867 1.00 33.25 H new ATOM 0 HA TYR A 45 23.492 11.437 -23.254 1.00 63.54 H new ATOM 0 HB2 TYR A 45 25.251 11.055 -21.626 1.00 21.31 H new ATOM 0 HB3 TYR A 45 24.801 12.486 -20.719 1.00 21.31 H new ATOM 0 HD1 TYR A 45 22.604 9.788 -22.116 1.00 25.11 H new ATOM 0 HD2 TYR A 45 24.123 11.684 -18.615 1.00 14.55 H new ATOM 0 HE1 TYR A 45 21.093 8.437 -20.731 1.00 22.43 H new ATOM 0 HE2 TYR A 45 22.616 10.331 -17.226 1.00 53.33 H new ATOM 0 HH TYR A 45 21.166 8.643 -17.176 1.00 53.13 H new ATOM 740 N THR A 46 22.550 14.236 -21.841 1.00 44.10 N ATOM 741 CA THR A 46 21.390 15.027 -21.451 1.00 21.02 C ATOM 742 C THR A 46 20.506 15.337 -22.654 1.00 4.14 C ATOM 743 O THR A 46 19.279 15.291 -22.564 1.00 64.12 O ATOM 744 CB THR A 46 21.811 16.350 -20.782 1.00 73.55 C ATOM 745 OG1 THR A 46 22.383 17.230 -21.756 1.00 13.20 O ATOM 746 CG2 THR A 46 22.814 16.097 -19.668 1.00 5.24 C ATOM 0 H THR A 46 23.433 14.747 -21.827 1.00 44.10 H new ATOM 0 HA THR A 46 20.827 14.430 -20.734 1.00 21.02 H new ATOM 0 HB THR A 46 20.923 16.813 -20.351 1.00 73.55 H new ATOM 0 HG1 THR A 46 23.195 16.825 -22.127 1.00 13.20 H new ATOM 0 HG21 THR A 46 23.097 17.045 -19.211 1.00 5.24 H new ATOM 0 HG22 THR A 46 22.365 15.450 -18.914 1.00 5.24 H new ATOM 0 HG23 THR A 46 23.700 15.614 -20.079 1.00 5.24 H new ATOM 754 N LYS A 47 21.137 15.653 -23.780 1.00 23.15 N ATOM 755 CA LYS A 47 20.409 15.969 -25.002 1.00 51.14 C ATOM 756 C LYS A 47 19.545 14.791 -25.441 1.00 51.11 C ATOM 757 O LYS A 47 18.464 14.975 -26.000 1.00 14.51 O ATOM 758 CB LYS A 47 21.385 16.343 -26.120 1.00 3.22 C ATOM 759 CG LYS A 47 20.727 16.485 -27.481 1.00 74.41 C ATOM 760 CD LYS A 47 20.772 15.181 -28.261 1.00 4.21 C ATOM 761 CE LYS A 47 21.606 15.317 -29.526 1.00 3.44 C ATOM 762 NZ LYS A 47 20.771 15.677 -30.705 1.00 32.42 N ATOM 0 H LYS A 47 22.152 15.697 -23.871 1.00 23.15 H new ATOM 0 HA LYS A 47 19.758 16.819 -24.797 1.00 51.14 H new ATOM 0 HB2 LYS A 47 21.875 17.282 -25.863 1.00 3.22 H new ATOM 0 HB3 LYS A 47 22.164 15.583 -26.180 1.00 3.22 H new ATOM 0 HG2 LYS A 47 19.691 16.799 -27.354 1.00 74.41 H new ATOM 0 HG3 LYS A 47 21.230 17.268 -28.049 1.00 74.41 H new ATOM 0 HD2 LYS A 47 21.188 14.394 -27.632 1.00 4.21 H new ATOM 0 HD3 LYS A 47 19.758 14.877 -28.523 1.00 4.21 H new ATOM 0 HE2 LYS A 47 22.371 16.079 -29.376 1.00 3.44 H new ATOM 0 HE3 LYS A 47 22.125 14.379 -29.721 1.00 3.44 H new ATOM 0 HZ1 LYS A 47 21.376 15.760 -31.547 1.00 32.42 H new ATOM 0 HZ2 LYS A 47 20.057 14.938 -30.864 1.00 32.42 H new ATOM 0 HZ3 LYS A 47 20.296 16.585 -30.529 1.00 32.42 H new ATOM 776 N VAL A 48 20.028 13.580 -25.183 1.00 64.02 N ATOM 777 CA VAL A 48 19.299 12.372 -25.549 1.00 71.31 C ATOM 778 C VAL A 48 18.444 11.874 -24.390 1.00 33.35 C ATOM 779 O VAL A 48 18.031 10.714 -24.363 1.00 21.54 O ATOM 780 CB VAL A 48 20.258 11.248 -25.985 1.00 75.14 C ATOM 781 CG1 VAL A 48 19.506 10.176 -26.760 1.00 23.21 C ATOM 782 CG2 VAL A 48 21.400 11.815 -26.815 1.00 31.32 C ATOM 0 H VAL A 48 20.922 13.410 -24.722 1.00 64.02 H new ATOM 0 HA VAL A 48 18.653 12.634 -26.387 1.00 71.31 H new ATOM 0 HB VAL A 48 20.681 10.788 -25.092 1.00 75.14 H new ATOM 0 HG11 VAL A 48 20.199 9.390 -27.060 1.00 23.21 H new ATOM 0 HG12 VAL A 48 18.726 9.750 -26.129 1.00 23.21 H new ATOM 0 HG13 VAL A 48 19.053 10.619 -27.647 1.00 23.21 H new ATOM 0 HG21 VAL A 48 22.068 11.007 -27.115 1.00 31.32 H new ATOM 0 HG22 VAL A 48 20.997 12.301 -27.703 1.00 31.32 H new ATOM 0 HG23 VAL A 48 21.954 12.543 -26.222 1.00 31.32 H new ATOM 792 N CYS A 49 18.181 12.758 -23.434 1.00 33.45 N ATOM 793 CA CYS A 49 17.374 12.408 -22.270 1.00 31.23 C ATOM 794 C CYS A 49 18.067 11.342 -21.428 1.00 64.50 C ATOM 795 O CYS A 49 18.868 10.548 -21.923 1.00 73.15 O ATOM 796 CB CYS A 49 15.996 11.911 -22.709 1.00 53.51 C ATOM 797 SG CYS A 49 15.185 12.969 -23.932 1.00 5.15 S ATOM 0 H CYS A 49 18.514 13.722 -23.442 1.00 33.45 H new ATOM 0 HA CYS A 49 17.252 13.304 -21.661 1.00 31.23 H new ATOM 0 HB2 CYS A 49 16.098 10.908 -23.123 1.00 53.51 H new ATOM 0 HB3 CYS A 49 15.354 11.830 -21.832 1.00 53.51 H new ATOM 0 HG CYS A 49 14.027 12.465 -24.242 1.00 5.15 H new ATOM 803 N PRO A 50 17.756 11.322 -20.124 1.00 31.14 N ATOM 804 CA PRO A 50 18.339 10.359 -19.185 1.00 30.31 C ATOM 805 C PRO A 50 17.839 8.939 -19.426 1.00 73.40 C ATOM 806 O PRO A 50 16.987 8.438 -18.693 1.00 72.13 O ATOM 807 CB PRO A 50 17.870 10.866 -17.819 1.00 10.10 C ATOM 808 CG PRO A 50 16.620 11.624 -18.105 1.00 52.13 C ATOM 809 CD PRO A 50 16.810 12.238 -19.465 1.00 0.24 C ATOM 0 HA PRO A 50 19.423 10.299 -19.284 1.00 30.31 H new ATOM 0 HB2 PRO A 50 17.684 10.040 -17.133 1.00 10.10 H new ATOM 0 HB3 PRO A 50 18.622 11.503 -17.354 1.00 10.10 H new ATOM 0 HG2 PRO A 50 15.752 10.965 -18.092 1.00 52.13 H new ATOM 0 HG3 PRO A 50 16.448 12.392 -17.351 1.00 52.13 H new ATOM 0 HD2 PRO A 50 15.869 12.305 -20.011 1.00 0.24 H new ATOM 0 HD3 PRO A 50 17.211 13.249 -19.397 1.00 0.24 H new ATOM 817 N ASN A 51 18.374 8.295 -20.458 1.00 25.41 N ATOM 818 CA ASN A 51 17.982 6.931 -20.795 1.00 53.24 C ATOM 819 C ASN A 51 16.531 6.883 -21.264 1.00 53.43 C ATOM 820 O ASN A 51 15.633 7.386 -20.589 1.00 15.03 O ATOM 821 CB ASN A 51 18.170 6.010 -19.588 1.00 51.40 C ATOM 822 CG ASN A 51 19.490 6.247 -18.881 1.00 2.04 C ATOM 823 OD1 ASN A 51 19.535 6.394 -17.659 1.00 61.11 O ATOM 824 ND2 ASN A 51 20.574 6.285 -19.648 1.00 14.34 N ATOM 0 H ASN A 51 19.080 8.696 -21.076 1.00 25.41 H new ATOM 0 HA ASN A 51 18.621 6.587 -21.608 1.00 53.24 H new ATOM 0 HB2 ASN A 51 17.351 6.165 -18.885 1.00 51.40 H new ATOM 0 HB3 ASN A 51 18.117 4.972 -19.915 1.00 51.40 H new ATOM 0 HD21 ASN A 51 21.490 6.441 -19.228 1.00 14.34 H new ATOM 0 HD22 ASN A 51 20.490 6.158 -20.657 1.00 14.34 H new ATOM 831 N ARG A 52 16.309 6.275 -22.425 1.00 44.20 N ATOM 832 CA ARG A 52 14.968 6.162 -22.985 1.00 10.02 C ATOM 833 C ARG A 52 14.738 4.771 -23.569 1.00 2.20 C ATOM 834 O ARG A 52 13.973 4.605 -24.519 1.00 53.14 O ATOM 835 CB ARG A 52 14.752 7.223 -24.066 1.00 21.14 C ATOM 836 CG ARG A 52 13.296 7.397 -24.466 1.00 62.21 C ATOM 837 CD ARG A 52 13.075 7.046 -25.929 1.00 44.54 C ATOM 838 NE ARG A 52 13.466 8.138 -26.818 1.00 75.43 N ATOM 839 CZ ARG A 52 13.750 7.971 -28.105 1.00 52.12 C ATOM 840 NH1 ARG A 52 13.687 6.764 -28.651 1.00 3.34 N ATOM 841 NH2 ARG A 52 14.097 9.013 -28.849 1.00 40.44 N ATOM 0 H ARG A 52 17.041 5.853 -22.996 1.00 44.20 H new ATOM 0 HA ARG A 52 14.251 6.322 -22.180 1.00 10.02 H new ATOM 0 HB2 ARG A 52 15.138 8.178 -23.709 1.00 21.14 H new ATOM 0 HB3 ARG A 52 15.333 6.954 -24.948 1.00 21.14 H new ATOM 0 HG2 ARG A 52 12.667 6.764 -23.840 1.00 62.21 H new ATOM 0 HG3 ARG A 52 12.989 8.428 -24.287 1.00 62.21 H new ATOM 0 HD2 ARG A 52 13.648 6.153 -26.178 1.00 44.54 H new ATOM 0 HD3 ARG A 52 12.024 6.806 -26.090 1.00 44.54 H new ATOM 0 HE ARG A 52 13.524 9.079 -26.429 1.00 75.43 H new ATOM 0 HH11 ARG A 52 13.420 5.960 -28.082 1.00 3.34 H new ATOM 0 HH12 ARG A 52 13.906 6.639 -29.639 1.00 3.34 H new ATOM 0 HH21 ARG A 52 14.146 9.943 -28.433 1.00 40.44 H new ATOM 0 HH22 ARG A 52 14.315 8.884 -29.837 1.00 40.44 H new ATOM 855 N CYS A 53 15.406 3.777 -22.995 1.00 32.40 N ATOM 856 CA CYS A 53 15.276 2.400 -23.459 1.00 55.15 C ATOM 857 C CYS A 53 14.538 1.547 -22.433 1.00 11.25 C ATOM 858 O CYS A 53 13.355 1.247 -22.595 1.00 11.24 O ATOM 859 CB CYS A 53 16.655 1.802 -23.741 1.00 12.23 C ATOM 860 SG CYS A 53 16.627 0.041 -24.149 1.00 54.03 S ATOM 0 H CYS A 53 16.043 3.898 -22.208 1.00 32.40 H new ATOM 0 HA CYS A 53 14.696 2.408 -24.382 1.00 55.15 H new ATOM 0 HB2 CYS A 53 17.114 2.348 -24.565 1.00 12.23 H new ATOM 0 HB3 CYS A 53 17.289 1.951 -22.867 1.00 12.23 H new ATOM 0 HG CYS A 53 17.381 -0.176 -25.185 1.00 54.03 H new ATOM 866 N ASP A 54 15.245 1.158 -21.377 1.00 53.50 N ATOM 867 CA ASP A 54 14.657 0.339 -20.323 1.00 44.13 C ATOM 868 C ASP A 54 15.695 -0.003 -19.259 1.00 23.11 C ATOM 869 O ASP A 54 15.582 0.420 -18.108 1.00 23.24 O ATOM 870 CB ASP A 54 14.071 -0.945 -20.913 1.00 1.41 C ATOM 871 CG ASP A 54 12.558 -0.906 -20.995 1.00 13.42 C ATOM 872 OD1 ASP A 54 11.910 -0.748 -19.939 1.00 11.15 O ATOM 873 OD2 ASP A 54 12.021 -1.032 -22.115 1.00 41.21 O ATOM 0 H ASP A 54 16.226 1.397 -21.228 1.00 53.50 H new ATOM 0 HA ASP A 54 13.857 0.912 -19.854 1.00 44.13 H new ATOM 0 HB2 ASP A 54 14.482 -1.104 -21.910 1.00 1.41 H new ATOM 0 HB3 ASP A 54 14.377 -1.795 -20.303 1.00 1.41 H new ATOM 878 N LEU A 55 16.705 -0.772 -19.651 1.00 4.14 N ATOM 879 CA LEU A 55 17.764 -1.172 -18.730 1.00 72.50 C ATOM 880 C LEU A 55 18.644 0.017 -18.362 1.00 3.41 C ATOM 881 O LEU A 55 19.206 0.071 -17.268 1.00 44.35 O ATOM 882 CB LEU A 55 18.617 -2.279 -19.353 1.00 35.33 C ATOM 883 CG LEU A 55 19.310 -1.931 -20.670 1.00 61.33 C ATOM 884 CD1 LEU A 55 20.726 -2.485 -20.690 1.00 44.05 C ATOM 885 CD2 LEU A 55 18.511 -2.463 -21.851 1.00 34.33 C ATOM 0 H LEU A 55 16.813 -1.131 -20.600 1.00 4.14 H new ATOM 0 HA LEU A 55 17.297 -1.549 -17.820 1.00 72.50 H new ATOM 0 HB2 LEU A 55 19.379 -2.573 -18.631 1.00 35.33 H new ATOM 0 HB3 LEU A 55 17.982 -3.150 -19.518 1.00 35.33 H new ATOM 0 HG LEU A 55 19.364 -0.846 -20.754 1.00 61.33 H new ATOM 0 HD11 LEU A 55 21.204 -2.228 -21.635 1.00 44.05 H new ATOM 0 HD12 LEU A 55 21.296 -2.056 -19.866 1.00 44.05 H new ATOM 0 HD13 LEU A 55 20.694 -3.569 -20.583 1.00 44.05 H new ATOM 0 HD21 LEU A 55 19.020 -2.206 -22.780 1.00 34.33 H new ATOM 0 HD22 LEU A 55 18.424 -3.547 -21.773 1.00 34.33 H new ATOM 0 HD23 LEU A 55 17.516 -2.018 -21.847 1.00 34.33 H new ATOM 897 N ALA A 56 18.758 0.970 -19.282 1.00 33.04 N ATOM 898 CA ALA A 56 19.566 2.161 -19.052 1.00 40.11 C ATOM 899 C ALA A 56 18.872 3.118 -18.088 1.00 63.14 C ATOM 900 O ALA A 56 19.525 3.818 -17.314 1.00 4.21 O ATOM 901 CB ALA A 56 19.863 2.860 -20.371 1.00 34.23 C ATOM 0 H ALA A 56 18.301 0.940 -20.193 1.00 33.04 H new ATOM 0 HA ALA A 56 20.507 1.850 -18.598 1.00 40.11 H new ATOM 0 HB1 ALA A 56 20.467 3.748 -20.184 1.00 34.23 H new ATOM 0 HB2 ALA A 56 20.408 2.182 -21.028 1.00 34.23 H new ATOM 0 HB3 ALA A 56 18.927 3.152 -20.847 1.00 34.23 H new ATOM 907 N THR A 57 17.544 3.144 -18.141 1.00 42.23 N ATOM 908 CA THR A 57 16.762 4.017 -17.275 1.00 31.44 C ATOM 909 C THR A 57 16.624 3.423 -15.877 1.00 53.23 C ATOM 910 O THR A 57 16.579 4.150 -14.886 1.00 13.34 O ATOM 911 CB THR A 57 15.357 4.271 -17.853 1.00 62.44 C ATOM 912 OG1 THR A 57 15.461 4.932 -19.119 1.00 41.20 O ATOM 913 CG2 THR A 57 14.524 5.115 -16.901 1.00 30.20 C ATOM 0 H THR A 57 16.988 2.570 -18.775 1.00 42.23 H new ATOM 0 HA THR A 57 17.298 4.964 -17.214 1.00 31.44 H new ATOM 0 HB THR A 57 14.863 3.308 -17.985 1.00 62.44 H new ATOM 0 HG1 THR A 57 14.736 4.630 -19.706 1.00 41.20 H new ATOM 0 HG21 THR A 57 13.536 5.281 -17.331 1.00 30.20 H new ATOM 0 HG22 THR A 57 14.422 4.595 -15.948 1.00 30.20 H new ATOM 0 HG23 THR A 57 15.016 6.075 -16.740 1.00 30.20 H new ATOM 921 N ALA A 58 16.558 2.098 -15.806 1.00 74.33 N ATOM 922 CA ALA A 58 16.427 1.407 -14.530 1.00 23.34 C ATOM 923 C ALA A 58 17.776 1.292 -13.827 1.00 61.03 C ATOM 924 O ALA A 58 17.899 1.605 -12.644 1.00 34.05 O ATOM 925 CB ALA A 58 15.818 0.028 -14.736 1.00 24.44 C ATOM 0 H ALA A 58 16.593 1.481 -16.618 1.00 74.33 H new ATOM 0 HA ALA A 58 15.764 1.993 -13.894 1.00 23.34 H new ATOM 0 HB1 ALA A 58 15.726 -0.477 -13.774 1.00 24.44 H new ATOM 0 HB2 ALA A 58 14.831 0.130 -15.188 1.00 24.44 H new ATOM 0 HB3 ALA A 58 16.460 -0.559 -15.394 1.00 24.44 H new ATOM 931 N ALA A 59 18.785 0.841 -14.565 1.00 24.33 N ATOM 932 CA ALA A 59 20.126 0.686 -14.013 1.00 15.15 C ATOM 933 C ALA A 59 20.688 2.027 -13.553 1.00 60.01 C ATOM 934 O ALA A 59 21.405 2.101 -12.555 1.00 34.03 O ATOM 935 CB ALA A 59 21.049 0.048 -15.040 1.00 2.14 C ATOM 0 H ALA A 59 18.700 0.577 -15.546 1.00 24.33 H new ATOM 0 HA ALA A 59 20.061 0.032 -13.144 1.00 15.15 H new ATOM 0 HB1 ALA A 59 22.046 -0.062 -14.614 1.00 2.14 H new ATOM 0 HB2 ALA A 59 20.663 -0.933 -15.317 1.00 2.14 H new ATOM 0 HB3 ALA A 59 21.100 0.681 -15.926 1.00 2.14 H new ATOM 941 N ASP A 60 20.360 3.084 -14.288 1.00 34.13 N ATOM 942 CA ASP A 60 20.832 4.423 -13.955 1.00 60.11 C ATOM 943 C ASP A 60 20.158 4.938 -12.687 1.00 75.25 C ATOM 944 O ASP A 60 20.807 5.526 -11.822 1.00 74.03 O ATOM 945 CB ASP A 60 20.566 5.383 -15.115 1.00 43.43 C ATOM 946 CG ASP A 60 21.093 6.779 -14.844 1.00 22.20 C ATOM 947 OD1 ASP A 60 22.224 6.895 -14.329 1.00 5.55 O ATOM 948 OD2 ASP A 60 20.374 7.754 -15.146 1.00 40.23 O ATOM 0 H ASP A 60 19.769 3.039 -15.118 1.00 34.13 H new ATOM 0 HA ASP A 60 21.906 4.369 -13.777 1.00 60.11 H new ATOM 0 HB2 ASP A 60 21.030 4.992 -16.020 1.00 43.43 H new ATOM 0 HB3 ASP A 60 19.493 5.433 -15.303 1.00 43.43 H new ATOM 953 N ARG A 61 18.852 4.714 -12.585 1.00 74.43 N ATOM 954 CA ARG A 61 18.089 5.157 -11.425 1.00 32.14 C ATOM 955 C ARG A 61 18.730 4.662 -10.131 1.00 74.44 C ATOM 956 O ARG A 61 18.817 5.398 -9.149 1.00 63.40 O ATOM 957 CB ARG A 61 16.646 4.658 -11.515 1.00 74.41 C ATOM 958 CG ARG A 61 15.619 5.775 -11.611 1.00 25.23 C ATOM 959 CD ARG A 61 15.836 6.625 -12.853 1.00 12.12 C ATOM 960 NE ARG A 61 16.621 7.823 -12.566 1.00 74.12 N ATOM 961 CZ ARG A 61 16.106 8.931 -12.044 1.00 25.22 C ATOM 962 NH1 ARG A 61 14.815 8.992 -11.752 1.00 14.51 N ATOM 963 NH2 ARG A 61 16.885 9.980 -11.812 1.00 23.32 N ATOM 0 H ARG A 61 18.300 4.228 -13.292 1.00 74.43 H new ATOM 0 HA ARG A 61 18.089 6.247 -11.417 1.00 32.14 H new ATOM 0 HB2 ARG A 61 16.548 4.010 -12.386 1.00 74.41 H new ATOM 0 HB3 ARG A 61 16.426 4.048 -10.639 1.00 74.41 H new ATOM 0 HG2 ARG A 61 14.616 5.348 -11.631 1.00 25.23 H new ATOM 0 HG3 ARG A 61 15.680 6.404 -10.723 1.00 25.23 H new ATOM 0 HD2 ARG A 61 16.344 6.032 -13.614 1.00 12.12 H new ATOM 0 HD3 ARG A 61 14.870 6.915 -13.267 1.00 12.12 H new ATOM 0 HE ARG A 61 17.619 7.808 -12.778 1.00 74.12 H new ATOM 0 HH11 ARG A 61 14.214 8.187 -11.928 1.00 14.51 H new ATOM 0 HH12 ARG A 61 14.422 9.844 -11.351 1.00 14.51 H new ATOM 0 HH21 ARG A 61 17.879 9.936 -12.034 1.00 23.32 H new ATOM 0 HH22 ARG A 61 16.489 10.830 -11.411 1.00 23.32 H new ATOM 977 N ALA A 62 19.175 3.410 -10.140 1.00 21.44 N ATOM 978 CA ALA A 62 19.809 2.817 -8.968 1.00 72.45 C ATOM 979 C ALA A 62 21.293 3.163 -8.913 1.00 13.34 C ATOM 980 O ALA A 62 21.812 3.541 -7.863 1.00 43.20 O ATOM 981 CB ALA A 62 19.617 1.307 -8.972 1.00 43.23 C ATOM 0 H ALA A 62 19.109 2.787 -10.945 1.00 21.44 H new ATOM 0 HA ALA A 62 19.333 3.231 -8.079 1.00 72.45 H new ATOM 0 HB1 ALA A 62 20.095 0.877 -8.092 1.00 43.23 H new ATOM 0 HB2 ALA A 62 18.552 1.076 -8.956 1.00 43.23 H new ATOM 0 HB3 ALA A 62 20.066 0.885 -9.871 1.00 43.23 H new ATOM 987 N ALA A 63 21.970 3.031 -10.049 1.00 14.44 N ATOM 988 CA ALA A 63 23.394 3.332 -10.129 1.00 14.23 C ATOM 989 C ALA A 63 23.689 4.734 -9.605 1.00 70.33 C ATOM 990 O ALA A 63 24.784 5.006 -9.113 1.00 42.23 O ATOM 991 CB ALA A 63 23.884 3.188 -11.562 1.00 32.32 C ATOM 0 H ALA A 63 21.555 2.718 -10.927 1.00 14.44 H new ATOM 0 HA ALA A 63 23.927 2.618 -9.501 1.00 14.23 H new ATOM 0 HB1 ALA A 63 24.949 3.416 -11.607 1.00 32.32 H new ATOM 0 HB2 ALA A 63 23.717 2.166 -11.903 1.00 32.32 H new ATOM 0 HB3 ALA A 63 23.338 3.879 -12.204 1.00 32.32 H new ATOM 997 N LYS A 64 22.706 5.621 -9.715 1.00 34.40 N ATOM 998 CA LYS A 64 22.859 6.995 -9.253 1.00 31.25 C ATOM 999 C LYS A 64 23.158 7.036 -7.757 1.00 70.43 C ATOM 1000 O LYS A 64 23.645 8.040 -7.239 1.00 34.51 O ATOM 1001 CB LYS A 64 21.592 7.800 -9.552 1.00 64.22 C ATOM 1002 CG LYS A 64 21.574 8.410 -10.943 1.00 63.11 C ATOM 1003 CD LYS A 64 22.686 9.430 -11.119 1.00 4.31 C ATOM 1004 CE LYS A 64 22.607 10.528 -10.069 1.00 55.22 C ATOM 1005 NZ LYS A 64 23.509 11.669 -10.390 1.00 32.33 N ATOM 0 H LYS A 64 21.794 5.412 -10.121 1.00 34.40 H new ATOM 0 HA LYS A 64 23.699 7.439 -9.787 1.00 31.25 H new ATOM 0 HB2 LYS A 64 20.724 7.151 -9.438 1.00 64.22 H new ATOM 0 HB3 LYS A 64 21.495 8.596 -8.814 1.00 64.22 H new ATOM 0 HG2 LYS A 64 21.681 7.622 -11.688 1.00 63.11 H new ATOM 0 HG3 LYS A 64 20.610 8.887 -11.120 1.00 63.11 H new ATOM 0 HD2 LYS A 64 23.653 8.931 -11.053 1.00 4.31 H new ATOM 0 HD3 LYS A 64 22.622 9.871 -12.114 1.00 4.31 H new ATOM 0 HE2 LYS A 64 21.580 10.886 -9.995 1.00 55.22 H new ATOM 0 HE3 LYS A 64 22.873 10.118 -9.094 1.00 55.22 H new ATOM 0 HZ1 LYS A 64 23.426 12.396 -9.651 1.00 32.33 H new ATOM 0 HZ2 LYS A 64 24.492 11.332 -10.436 1.00 32.33 H new ATOM 0 HZ3 LYS A 64 23.240 12.077 -11.308 1.00 32.33 H new ATOM 1019 N GLY A 65 22.865 5.936 -7.069 1.00 55.23 N ATOM 1020 CA GLY A 65 23.110 5.867 -5.641 1.00 3.53 C ATOM 1021 C GLY A 65 21.828 5.845 -4.832 1.00 42.23 C ATOM 1022 O GLY A 65 21.837 6.125 -3.634 1.00 43.10 O ATOM 0 H GLY A 65 22.462 5.092 -7.476 1.00 55.23 H new ATOM 0 HA2 GLY A 65 23.692 4.972 -5.418 1.00 3.53 H new ATOM 0 HA3 GLY A 65 23.713 6.723 -5.337 1.00 3.53 H new ATOM 1026 N ALA A 66 20.722 5.513 -5.489 1.00 71.24 N ATOM 1027 CA ALA A 66 19.426 5.455 -4.824 1.00 24.01 C ATOM 1028 C ALA A 66 19.181 6.708 -3.990 1.00 24.45 C ATOM 1029 O ALA A 66 19.146 6.649 -2.760 1.00 40.22 O ATOM 1030 CB ALA A 66 19.336 4.211 -3.952 1.00 1.52 C ATOM 0 H ALA A 66 20.697 5.280 -6.482 1.00 71.24 H new ATOM 0 HA ALA A 66 18.653 5.404 -5.591 1.00 24.01 H new ATOM 0 HB1 ALA A 66 18.363 4.180 -3.461 1.00 1.52 H new ATOM 0 HB2 ALA A 66 19.458 3.323 -4.572 1.00 1.52 H new ATOM 0 HB3 ALA A 66 20.122 4.238 -3.198 1.00 1.52 H new ATOM 1036 N TYR A 67 19.014 7.839 -4.665 1.00 35.01 N ATOM 1037 CA TYR A 67 18.775 9.107 -3.985 1.00 70.31 C ATOM 1038 C TYR A 67 17.675 8.965 -2.938 1.00 32.32 C ATOM 1039 O TYR A 67 17.699 9.627 -1.902 1.00 11.44 O ATOM 1040 CB TYR A 67 18.394 10.188 -4.997 1.00 44.54 C ATOM 1041 CG TYR A 67 19.409 11.305 -5.100 1.00 54.14 C ATOM 1042 CD1 TYR A 67 19.443 12.328 -4.161 1.00 20.02 C ATOM 1043 CD2 TYR A 67 20.333 11.337 -6.137 1.00 63.51 C ATOM 1044 CE1 TYR A 67 20.367 13.350 -4.252 1.00 4.54 C ATOM 1045 CE2 TYR A 67 21.262 12.354 -6.235 1.00 43.30 C ATOM 1046 CZ TYR A 67 21.275 13.359 -5.290 1.00 40.22 C ATOM 1047 OH TYR A 67 22.198 14.375 -5.383 1.00 44.24 O ATOM 0 H TYR A 67 19.040 7.904 -5.683 1.00 35.01 H new ATOM 0 HA TYR A 67 19.696 9.399 -3.481 1.00 70.31 H new ATOM 0 HB2 TYR A 67 18.271 9.729 -5.978 1.00 44.54 H new ATOM 0 HB3 TYR A 67 17.428 10.610 -4.719 1.00 44.54 H new ATOM 0 HD1 TYR A 67 18.735 12.324 -3.346 1.00 20.02 H new ATOM 0 HD2 TYR A 67 20.325 10.553 -6.879 1.00 63.51 H new ATOM 0 HE1 TYR A 67 20.379 14.138 -3.514 1.00 4.54 H new ATOM 0 HE2 TYR A 67 21.974 12.363 -7.047 1.00 43.30 H new ATOM 0 HH TYR A 67 22.764 14.232 -6.170 1.00 44.24 H new ATOM 1057 N GLY A 68 16.710 8.093 -3.217 1.00 12.42 N ATOM 1058 CA GLY A 68 15.614 7.878 -2.290 1.00 52.42 C ATOM 1059 C GLY A 68 14.657 9.053 -2.241 1.00 5.52 C ATOM 1060 O GLY A 68 14.525 9.796 -3.214 1.00 1.44 O ATOM 0 H GLY A 68 16.668 7.532 -4.068 1.00 12.42 H new ATOM 0 HA2 GLY A 68 15.068 6.980 -2.580 1.00 52.42 H new ATOM 0 HA3 GLY A 68 16.016 7.699 -1.293 1.00 52.42 H new ATOM 1064 N TYR A 69 13.988 9.222 -1.106 1.00 31.40 N ATOM 1065 CA TYR A 69 13.035 10.312 -0.935 1.00 44.30 C ATOM 1066 C TYR A 69 11.985 10.296 -2.041 1.00 15.21 C ATOM 1067 O TYR A 69 12.181 10.878 -3.108 1.00 12.43 O ATOM 1068 CB TYR A 69 13.764 11.657 -0.928 1.00 11.20 C ATOM 1069 CG TYR A 69 14.011 12.205 0.460 1.00 54.15 C ATOM 1070 CD1 TYR A 69 12.971 12.331 1.373 1.00 52.23 C ATOM 1071 CD2 TYR A 69 15.283 12.597 0.857 1.00 14.42 C ATOM 1072 CE1 TYR A 69 13.191 12.832 2.641 1.00 21.13 C ATOM 1073 CE2 TYR A 69 15.512 13.098 2.124 1.00 24.41 C ATOM 1074 CZ TYR A 69 14.464 13.213 3.012 1.00 14.24 C ATOM 1075 OH TYR A 69 14.688 13.712 4.275 1.00 41.41 O ATOM 0 H TYR A 69 14.088 8.618 -0.290 1.00 31.40 H new ATOM 0 HA TYR A 69 12.531 10.174 0.021 1.00 44.30 H new ATOM 0 HB2 TYR A 69 14.719 11.546 -1.441 1.00 11.20 H new ATOM 0 HB3 TYR A 69 13.180 12.380 -1.496 1.00 11.20 H new ATOM 0 HD1 TYR A 69 11.974 12.032 1.086 1.00 52.23 H new ATOM 0 HD2 TYR A 69 16.107 12.509 0.164 1.00 14.42 H new ATOM 0 HE1 TYR A 69 12.371 12.925 3.338 1.00 21.13 H new ATOM 0 HE2 TYR A 69 16.507 13.398 2.417 1.00 24.41 H new ATOM 0 HH TYR A 69 15.638 13.932 4.376 1.00 41.41 H new ATOM 1085 N ASP A 70 10.868 9.626 -1.777 1.00 64.34 N ATOM 1086 CA ASP A 70 9.784 9.534 -2.748 1.00 42.14 C ATOM 1087 C ASP A 70 8.430 9.477 -2.048 1.00 25.45 C ATOM 1088 O ASP A 70 8.225 8.675 -1.136 1.00 70.01 O ATOM 1089 CB ASP A 70 9.967 8.300 -3.634 1.00 12.33 C ATOM 1090 CG ASP A 70 9.785 8.612 -5.106 1.00 52.31 C ATOM 1091 OD1 ASP A 70 8.878 9.405 -5.437 1.00 42.14 O ATOM 1092 OD2 ASP A 70 10.549 8.064 -5.927 1.00 44.42 O ATOM 0 H ASP A 70 10.690 9.139 -0.899 1.00 64.34 H new ATOM 0 HA ASP A 70 9.812 10.427 -3.372 1.00 42.14 H new ATOM 0 HB2 ASP A 70 10.962 7.886 -3.474 1.00 12.33 H new ATOM 0 HB3 ASP A 70 9.251 7.534 -3.337 1.00 12.33 H new ATOM 1097 N VAL A 71 7.510 10.333 -2.478 1.00 52.25 N ATOM 1098 CA VAL A 71 6.175 10.380 -1.893 1.00 5.14 C ATOM 1099 C VAL A 71 5.337 9.188 -2.339 1.00 21.41 C ATOM 1100 O VAL A 71 4.313 8.876 -1.733 1.00 35.14 O ATOM 1101 CB VAL A 71 5.442 11.680 -2.272 1.00 14.25 C ATOM 1102 CG1 VAL A 71 5.062 11.669 -3.744 1.00 51.54 C ATOM 1103 CG2 VAL A 71 4.212 11.872 -1.397 1.00 32.42 C ATOM 0 H VAL A 71 7.664 11.004 -3.230 1.00 52.25 H new ATOM 0 HA VAL A 71 6.302 10.346 -0.811 1.00 5.14 H new ATOM 0 HB VAL A 71 6.116 12.520 -2.102 1.00 14.25 H new ATOM 0 HG11 VAL A 71 4.545 12.596 -3.993 1.00 51.54 H new ATOM 0 HG12 VAL A 71 5.963 11.581 -4.352 1.00 51.54 H new ATOM 0 HG13 VAL A 71 4.406 10.822 -3.944 1.00 51.54 H new ATOM 0 HG21 VAL A 71 3.706 12.795 -1.678 1.00 32.42 H new ATOM 0 HG22 VAL A 71 3.533 11.030 -1.534 1.00 32.42 H new ATOM 0 HG23 VAL A 71 4.515 11.928 -0.351 1.00 32.42 H new ATOM 1113 N GLN A 72 5.780 8.525 -3.402 1.00 60.33 N ATOM 1114 CA GLN A 72 5.070 7.366 -3.930 1.00 34.21 C ATOM 1115 C GLN A 72 5.803 6.778 -5.131 1.00 51.21 C ATOM 1116 O GLN A 72 5.182 6.387 -6.120 1.00 51.04 O ATOM 1117 CB GLN A 72 3.644 7.752 -4.327 1.00 12.42 C ATOM 1118 CG GLN A 72 2.605 6.706 -3.958 1.00 14.01 C ATOM 1119 CD GLN A 72 2.723 5.446 -4.793 1.00 52.41 C ATOM 1120 OE1 GLN A 72 1.891 5.184 -5.662 1.00 61.24 O ATOM 1121 NE2 GLN A 72 3.760 4.659 -4.534 1.00 31.24 N ATOM 0 H GLN A 72 6.627 8.770 -3.915 1.00 60.33 H new ATOM 0 HA GLN A 72 5.030 6.609 -3.147 1.00 34.21 H new ATOM 0 HB2 GLN A 72 3.385 8.695 -3.846 1.00 12.42 H new ATOM 0 HB3 GLN A 72 3.609 7.923 -5.403 1.00 12.42 H new ATOM 0 HG2 GLN A 72 2.711 6.450 -2.904 1.00 14.01 H new ATOM 0 HG3 GLN A 72 1.608 7.129 -4.084 1.00 14.01 H new ATOM 0 HE21 GLN A 72 4.425 4.915 -3.805 1.00 31.24 H new ATOM 0 HE22 GLN A 72 3.892 3.798 -5.064 1.00 31.24 H new ATOM 1130 N LEU A 73 7.127 6.719 -5.039 1.00 13.41 N ATOM 1131 CA LEU A 73 7.946 6.179 -6.119 1.00 13.53 C ATOM 1132 C LEU A 73 7.597 6.839 -7.449 1.00 11.51 C ATOM 1133 O LEU A 73 7.463 6.167 -8.472 1.00 55.41 O ATOM 1134 CB LEU A 73 7.755 4.665 -6.222 1.00 53.30 C ATOM 1135 CG LEU A 73 8.118 3.856 -4.976 1.00 53.42 C ATOM 1136 CD1 LEU A 73 9.407 4.375 -4.360 1.00 5.41 C ATOM 1137 CD2 LEU A 73 6.984 3.901 -3.962 1.00 50.31 C ATOM 0 H LEU A 73 7.656 7.038 -4.228 1.00 13.41 H new ATOM 0 HA LEU A 73 8.990 6.393 -5.892 1.00 13.53 H new ATOM 0 HB2 LEU A 73 6.712 4.467 -6.468 1.00 53.30 H new ATOM 0 HB3 LEU A 73 8.355 4.299 -7.056 1.00 53.30 H new ATOM 0 HG LEU A 73 8.273 2.818 -5.272 1.00 53.42 H new ATOM 0 HD11 LEU A 73 9.650 3.787 -3.475 1.00 5.41 H new ATOM 0 HD12 LEU A 73 10.217 4.290 -5.085 1.00 5.41 H new ATOM 0 HD13 LEU A 73 9.280 5.420 -4.078 1.00 5.41 H new ATOM 0 HD21 LEU A 73 7.260 3.320 -3.082 1.00 50.31 H new ATOM 0 HD22 LEU A 73 6.797 4.935 -3.671 1.00 50.31 H new ATOM 0 HD23 LEU A 73 6.082 3.481 -4.406 1.00 50.31 H new ATOM 1149 N THR A 74 7.453 8.161 -7.428 1.00 44.04 N ATOM 1150 CA THR A 74 7.122 8.913 -8.632 1.00 74.52 C ATOM 1151 C THR A 74 8.320 9.005 -9.570 1.00 53.50 C ATOM 1152 O THR A 74 8.165 9.218 -10.773 1.00 63.12 O ATOM 1153 CB THR A 74 6.639 10.335 -8.291 1.00 43.23 C ATOM 1154 OG1 THR A 74 5.717 10.291 -7.197 1.00 22.33 O ATOM 1155 CG2 THR A 74 5.974 10.984 -9.496 1.00 11.14 C ATOM 0 H THR A 74 7.561 8.733 -6.590 1.00 44.04 H new ATOM 0 HA THR A 74 6.316 8.374 -9.130 1.00 74.52 H new ATOM 0 HB THR A 74 7.507 10.932 -8.009 1.00 43.23 H new ATOM 0 HG1 THR A 74 5.416 11.200 -6.986 1.00 22.33 H new ATOM 0 HG21 THR A 74 5.641 11.988 -9.231 1.00 11.14 H new ATOM 0 HG22 THR A 74 6.688 11.044 -10.317 1.00 11.14 H new ATOM 0 HG23 THR A 74 5.116 10.386 -9.804 1.00 11.14 H new ATOM 1163 N THR A 75 9.516 8.844 -9.012 1.00 51.55 N ATOM 1164 CA THR A 75 10.741 8.911 -9.799 1.00 70.31 C ATOM 1165 C THR A 75 10.805 7.775 -10.814 1.00 30.23 C ATOM 1166 O THR A 75 11.060 8.000 -11.998 1.00 23.44 O ATOM 1167 CB THR A 75 11.990 8.851 -8.900 1.00 0.43 C ATOM 1168 OG1 THR A 75 12.017 7.614 -8.180 1.00 64.53 O ATOM 1169 CG2 THR A 75 12.006 10.014 -7.919 1.00 3.21 C ATOM 0 H THR A 75 9.662 8.666 -8.018 1.00 51.55 H new ATOM 0 HA THR A 75 10.727 9.865 -10.326 1.00 70.31 H new ATOM 0 HB THR A 75 12.872 8.920 -9.536 1.00 0.43 H new ATOM 0 HG1 THR A 75 11.427 7.677 -7.400 1.00 64.53 H new ATOM 0 HG21 THR A 75 12.897 9.951 -7.294 1.00 3.21 H new ATOM 0 HG22 THR A 75 12.015 10.955 -8.470 1.00 3.21 H new ATOM 0 HG23 THR A 75 11.118 9.971 -7.289 1.00 3.21 H new ATOM 1177 N LEU A 76 10.571 6.554 -10.344 1.00 2.41 N ATOM 1178 CA LEU A 76 10.601 5.382 -11.211 1.00 65.23 C ATOM 1179 C LEU A 76 9.367 5.334 -12.106 1.00 41.52 C ATOM 1180 O LEU A 76 9.438 4.904 -13.258 1.00 14.34 O ATOM 1181 CB LEU A 76 10.687 4.105 -10.373 1.00 40.11 C ATOM 1182 CG LEU A 76 12.095 3.577 -10.097 1.00 20.41 C ATOM 1183 CD1 LEU A 76 12.400 3.622 -8.608 1.00 13.13 C ATOM 1184 CD2 LEU A 76 12.247 2.160 -10.631 1.00 62.12 C ATOM 0 H LEU A 76 10.358 6.351 -9.367 1.00 2.41 H new ATOM 0 HA LEU A 76 11.484 5.453 -11.846 1.00 65.23 H new ATOM 0 HB2 LEU A 76 10.195 4.288 -9.417 1.00 40.11 H new ATOM 0 HB3 LEU A 76 10.120 3.323 -10.879 1.00 40.11 H new ATOM 0 HG LEU A 76 12.810 4.218 -10.613 1.00 20.41 H new ATOM 0 HD11 LEU A 76 13.406 3.242 -8.431 1.00 13.13 H new ATOM 0 HD12 LEU A 76 12.333 4.651 -8.254 1.00 13.13 H new ATOM 0 HD13 LEU A 76 11.680 3.005 -8.070 1.00 13.13 H new ATOM 0 HD21 LEU A 76 13.255 1.800 -10.426 1.00 62.12 H new ATOM 0 HD22 LEU A 76 11.523 1.508 -10.143 1.00 62.12 H new ATOM 0 HD23 LEU A 76 12.072 2.156 -11.707 1.00 62.12 H new ATOM 1196 N LYS A 77 8.237 5.782 -11.570 1.00 74.50 N ATOM 1197 CA LYS A 77 6.986 5.794 -12.320 1.00 2.11 C ATOM 1198 C LYS A 77 7.026 6.843 -13.426 1.00 52.43 C ATOM 1199 O LYS A 77 6.445 6.654 -14.494 1.00 62.34 O ATOM 1200 CB LYS A 77 5.808 6.070 -11.383 1.00 3.13 C ATOM 1201 CG LYS A 77 4.673 5.071 -11.523 1.00 14.23 C ATOM 1202 CD LYS A 77 5.075 3.695 -11.018 1.00 52.44 C ATOM 1203 CE LYS A 77 5.297 3.696 -9.514 1.00 4.42 C ATOM 1204 NZ LYS A 77 6.693 3.316 -9.159 1.00 51.33 N ATOM 0 H LYS A 77 8.161 6.142 -10.619 1.00 74.50 H new ATOM 0 HA LYS A 77 6.856 4.813 -12.777 1.00 2.11 H new ATOM 0 HB2 LYS A 77 6.164 6.061 -10.353 1.00 3.13 H new ATOM 0 HB3 LYS A 77 5.426 7.072 -11.579 1.00 3.13 H new ATOM 0 HG2 LYS A 77 3.805 5.425 -10.966 1.00 14.23 H new ATOM 0 HG3 LYS A 77 4.374 5.003 -12.569 1.00 14.23 H new ATOM 0 HD2 LYS A 77 4.299 2.972 -11.272 1.00 52.44 H new ATOM 0 HD3 LYS A 77 5.987 3.374 -11.521 1.00 52.44 H new ATOM 0 HE2 LYS A 77 5.078 4.686 -9.115 1.00 4.42 H new ATOM 0 HE3 LYS A 77 4.601 3.002 -9.044 1.00 4.42 H new ATOM 0 HZ1 LYS A 77 6.680 2.658 -8.353 1.00 51.33 H new ATOM 0 HZ2 LYS A 77 7.145 2.855 -9.974 1.00 51.33 H new ATOM 0 HZ3 LYS A 77 7.230 4.169 -8.901 1.00 51.33 H new ATOM 1218 N GLU A 78 7.716 7.949 -13.163 1.00 35.01 N ATOM 1219 CA GLU A 78 7.831 9.027 -14.138 1.00 15.22 C ATOM 1220 C GLU A 78 8.872 8.690 -15.201 1.00 54.34 C ATOM 1221 O GLU A 78 8.838 9.225 -16.310 1.00 12.33 O ATOM 1222 CB GLU A 78 8.203 10.337 -13.441 1.00 2.43 C ATOM 1223 CG GLU A 78 8.361 11.510 -14.394 1.00 0.34 C ATOM 1224 CD GLU A 78 8.339 12.848 -13.680 1.00 41.44 C ATOM 1225 OE1 GLU A 78 9.334 13.173 -12.999 1.00 30.24 O ATOM 1226 OE2 GLU A 78 7.328 13.570 -13.804 1.00 11.55 O ATOM 0 H GLU A 78 8.203 8.121 -12.284 1.00 35.01 H new ATOM 0 HA GLU A 78 6.864 9.146 -14.626 1.00 15.22 H new ATOM 0 HB2 GLU A 78 7.435 10.578 -12.706 1.00 2.43 H new ATOM 0 HB3 GLU A 78 9.135 10.196 -12.894 1.00 2.43 H new ATOM 0 HG2 GLU A 78 9.300 11.408 -14.938 1.00 0.34 H new ATOM 0 HG3 GLU A 78 7.560 11.483 -15.133 1.00 0.34 H new ATOM 1233 N ASP A 79 9.795 7.801 -14.855 1.00 64.45 N ATOM 1234 CA ASP A 79 10.847 7.391 -15.780 1.00 15.14 C ATOM 1235 C ASP A 79 10.319 6.375 -16.787 1.00 74.42 C ATOM 1236 O ASP A 79 10.573 6.486 -17.987 1.00 22.31 O ATOM 1237 CB ASP A 79 12.029 6.799 -15.011 1.00 32.11 C ATOM 1238 CG ASP A 79 13.168 7.786 -14.852 1.00 25.15 C ATOM 1239 OD1 ASP A 79 13.094 8.637 -13.941 1.00 13.24 O ATOM 1240 OD2 ASP A 79 14.136 7.706 -15.637 1.00 53.52 O ATOM 0 H ASP A 79 9.837 7.350 -13.941 1.00 64.45 H new ATOM 0 HA ASP A 79 11.183 8.274 -16.324 1.00 15.14 H new ATOM 0 HB2 ASP A 79 11.692 6.475 -14.026 1.00 32.11 H new ATOM 0 HB3 ASP A 79 12.390 5.912 -15.532 1.00 32.11 H new ATOM 1245 N ILE A 80 9.584 5.385 -16.292 1.00 33.23 N ATOM 1246 CA ILE A 80 9.020 4.349 -17.149 1.00 4.12 C ATOM 1247 C ILE A 80 7.989 4.931 -18.110 1.00 3.44 C ATOM 1248 O ILE A 80 7.920 4.539 -19.275 1.00 4.24 O ATOM 1249 CB ILE A 80 8.360 3.231 -16.321 1.00 20.11 C ATOM 1250 CG1 ILE A 80 7.772 2.162 -17.245 1.00 12.25 C ATOM 1251 CG2 ILE A 80 7.282 3.808 -15.416 1.00 10.12 C ATOM 1252 CD1 ILE A 80 8.801 1.497 -18.131 1.00 61.31 C ATOM 0 H ILE A 80 9.365 5.278 -15.302 1.00 33.23 H new ATOM 0 HA ILE A 80 9.847 3.927 -17.720 1.00 4.12 H new ATOM 0 HB ILE A 80 9.121 2.765 -15.695 1.00 20.11 H new ATOM 0 HG12 ILE A 80 7.280 1.401 -16.640 1.00 12.25 H new ATOM 0 HG13 ILE A 80 7.005 2.617 -17.871 1.00 12.25 H new ATOM 0 HG21 ILE A 80 6.825 3.005 -14.837 1.00 10.12 H new ATOM 0 HG22 ILE A 80 7.727 4.536 -14.738 1.00 10.12 H new ATOM 0 HG23 ILE A 80 6.520 4.297 -16.023 1.00 10.12 H new ATOM 0 HD11 ILE A 80 8.313 0.751 -18.758 1.00 61.31 H new ATOM 0 HD12 ILE A 80 9.277 2.247 -18.762 1.00 61.31 H new ATOM 0 HD13 ILE A 80 9.556 1.013 -17.512 1.00 61.31 H new ATOM 1264 N ARG A 81 7.191 5.871 -17.614 1.00 34.23 N ATOM 1265 CA ARG A 81 6.163 6.508 -18.428 1.00 42.23 C ATOM 1266 C ARG A 81 6.789 7.447 -19.455 1.00 52.54 C ATOM 1267 O ARG A 81 6.247 7.644 -20.544 1.00 0.10 O ATOM 1268 CB ARG A 81 5.187 7.283 -17.541 1.00 74.34 C ATOM 1269 CG ARG A 81 5.752 8.589 -17.009 1.00 42.20 C ATOM 1270 CD ARG A 81 5.220 9.784 -17.785 1.00 63.22 C ATOM 1271 NE ARG A 81 3.996 10.319 -17.195 1.00 62.11 N ATOM 1272 CZ ARG A 81 3.552 11.551 -17.415 1.00 50.22 C ATOM 1273 NH1 ARG A 81 4.228 12.371 -18.208 1.00 53.32 N ATOM 1274 NH2 ARG A 81 2.429 11.965 -16.842 1.00 42.40 N ATOM 0 H ARG A 81 7.237 6.208 -16.652 1.00 34.23 H new ATOM 0 HA ARG A 81 5.619 5.727 -18.958 1.00 42.23 H new ATOM 0 HB2 ARG A 81 4.281 7.494 -18.110 1.00 74.34 H new ATOM 0 HB3 ARG A 81 4.896 6.654 -16.700 1.00 74.34 H new ATOM 0 HG2 ARG A 81 5.495 8.695 -15.955 1.00 42.20 H new ATOM 0 HG3 ARG A 81 6.840 8.568 -17.072 1.00 42.20 H new ATOM 0 HD2 ARG A 81 5.980 10.565 -17.814 1.00 63.22 H new ATOM 0 HD3 ARG A 81 5.026 9.489 -18.816 1.00 63.22 H new ATOM 0 HE ARG A 81 3.452 9.713 -16.580 1.00 62.11 H new ATOM 0 HH11 ARG A 81 5.091 12.056 -18.651 1.00 53.32 H new ATOM 0 HH12 ARG A 81 3.885 13.317 -18.375 1.00 53.32 H new ATOM 0 HH21 ARG A 81 1.906 11.337 -16.232 1.00 42.40 H new ATOM 0 HH22 ARG A 81 2.089 12.912 -17.012 1.00 42.40 H new ATOM 1288 N LEU A 82 7.931 8.025 -19.102 1.00 5.42 N ATOM 1289 CA LEU A 82 8.631 8.945 -19.992 1.00 63.13 C ATOM 1290 C LEU A 82 9.181 8.210 -21.211 1.00 54.51 C ATOM 1291 O LEU A 82 9.260 8.772 -22.303 1.00 55.50 O ATOM 1292 CB LEU A 82 9.771 9.641 -19.246 1.00 33.12 C ATOM 1293 CG LEU A 82 10.503 10.741 -20.014 1.00 41.42 C ATOM 1294 CD1 LEU A 82 11.503 10.138 -20.988 1.00 60.41 C ATOM 1295 CD2 LEU A 82 9.510 11.630 -20.749 1.00 42.10 C ATOM 0 H LEU A 82 8.393 7.873 -18.205 1.00 5.42 H new ATOM 0 HA LEU A 82 7.917 9.695 -20.333 1.00 63.13 H new ATOM 0 HB2 LEU A 82 9.369 10.072 -18.329 1.00 33.12 H new ATOM 0 HB3 LEU A 82 10.499 8.886 -18.950 1.00 33.12 H new ATOM 0 HG LEU A 82 11.049 11.355 -19.298 1.00 41.42 H new ATOM 0 HD11 LEU A 82 12.014 10.937 -21.526 1.00 60.41 H new ATOM 0 HD12 LEU A 82 12.234 9.545 -20.438 1.00 60.41 H new ATOM 0 HD13 LEU A 82 10.979 9.500 -21.699 1.00 60.41 H new ATOM 0 HD21 LEU A 82 10.049 12.408 -21.290 1.00 42.10 H new ATOM 0 HD22 LEU A 82 8.936 11.029 -21.454 1.00 42.10 H new ATOM 0 HD23 LEU A 82 8.833 12.091 -20.030 1.00 42.10 H new ATOM 1307 N MET A 83 9.557 6.951 -21.017 1.00 31.25 N ATOM 1308 CA MET A 83 10.095 6.138 -22.101 1.00 44.32 C ATOM 1309 C MET A 83 9.002 5.768 -23.098 1.00 53.51 C ATOM 1310 O MET A 83 9.135 6.009 -24.298 1.00 72.42 O ATOM 1311 CB MET A 83 10.744 4.870 -21.543 1.00 75.35 C ATOM 1312 CG MET A 83 11.983 5.138 -20.706 1.00 2.41 C ATOM 1313 SD MET A 83 12.973 3.656 -20.435 1.00 21.12 S ATOM 1314 CE MET A 83 12.382 3.144 -18.823 1.00 70.04 C ATOM 0 H MET A 83 9.499 6.471 -20.119 1.00 31.25 H new ATOM 0 HA MET A 83 10.852 6.726 -22.621 1.00 44.32 H new ATOM 0 HB2 MET A 83 10.014 4.336 -20.935 1.00 75.35 H new ATOM 0 HB3 MET A 83 11.011 4.214 -22.371 1.00 75.35 H new ATOM 0 HG2 MET A 83 12.594 5.893 -21.200 1.00 2.41 H new ATOM 0 HG3 MET A 83 11.683 5.551 -19.743 1.00 2.41 H new ATOM 0 HE1 MET A 83 13.143 2.537 -18.332 1.00 70.04 H new ATOM 0 HE2 MET A 83 12.173 4.025 -18.216 1.00 70.04 H new ATOM 0 HE3 MET A 83 11.470 2.558 -18.939 1.00 70.04 H new ATOM 1324 N VAL A 84 7.921 5.182 -22.593 1.00 55.54 N ATOM 1325 CA VAL A 84 6.804 4.780 -23.440 1.00 15.32 C ATOM 1326 C VAL A 84 6.270 5.961 -24.243 1.00 72.12 C ATOM 1327 O VAL A 84 5.817 5.800 -25.376 1.00 4.13 O ATOM 1328 CB VAL A 84 5.656 4.180 -22.606 1.00 72.35 C ATOM 1329 CG1 VAL A 84 5.199 5.163 -21.540 1.00 54.21 C ATOM 1330 CG2 VAL A 84 4.497 3.780 -23.507 1.00 33.00 C ATOM 0 H VAL A 84 7.795 4.975 -21.602 1.00 55.54 H new ATOM 0 HA VAL A 84 7.183 4.021 -24.124 1.00 15.32 H new ATOM 0 HB VAL A 84 6.023 3.284 -22.105 1.00 72.35 H new ATOM 0 HG11 VAL A 84 4.388 4.721 -20.961 1.00 54.21 H new ATOM 0 HG12 VAL A 84 6.033 5.395 -20.877 1.00 54.21 H new ATOM 0 HG13 VAL A 84 4.848 6.079 -22.016 1.00 54.21 H new ATOM 0 HG21 VAL A 84 3.695 3.358 -22.902 1.00 33.00 H new ATOM 0 HG22 VAL A 84 4.128 4.658 -24.037 1.00 33.00 H new ATOM 0 HG23 VAL A 84 4.837 3.037 -24.228 1.00 33.00 H new ATOM 1340 N ASN A 85 6.327 7.148 -23.649 1.00 14.25 N ATOM 1341 CA ASN A 85 5.849 8.357 -24.309 1.00 54.41 C ATOM 1342 C ASN A 85 6.664 8.650 -25.565 1.00 74.53 C ATOM 1343 O ASN A 85 6.109 8.840 -26.647 1.00 21.42 O ATOM 1344 CB ASN A 85 5.921 9.549 -23.352 1.00 61.00 C ATOM 1345 CG ASN A 85 4.703 9.644 -22.454 1.00 52.30 C ATOM 1346 OD1 ASN A 85 3.573 9.437 -22.898 1.00 23.45 O ATOM 1347 ND2 ASN A 85 4.927 9.960 -21.184 1.00 4.11 N ATOM 0 H ASN A 85 6.700 7.299 -22.711 1.00 14.25 H new ATOM 0 HA ASN A 85 4.811 8.195 -24.600 1.00 54.41 H new ATOM 0 HB2 ASN A 85 6.817 9.464 -22.737 1.00 61.00 H new ATOM 0 HB3 ASN A 85 6.017 10.469 -23.929 1.00 61.00 H new ATOM 0 HD21 ASN A 85 4.146 10.040 -20.533 1.00 4.11 H new ATOM 0 HD22 ASN A 85 5.880 10.123 -20.859 1.00 4.11 H new ATOM 1354 N ASN A 86 7.984 8.683 -25.413 1.00 74.22 N ATOM 1355 CA ASN A 86 8.876 8.952 -26.535 1.00 73.42 C ATOM 1356 C ASN A 86 8.980 7.735 -27.451 1.00 1.45 C ATOM 1357 O ASN A 86 9.391 7.849 -28.606 1.00 73.01 O ATOM 1358 CB ASN A 86 10.265 9.342 -26.027 1.00 11.11 C ATOM 1359 CG ASN A 86 10.950 10.347 -26.932 1.00 45.05 C ATOM 1360 OD1 ASN A 86 11.660 9.974 -27.867 1.00 51.30 O ATOM 1361 ND2 ASN A 86 10.741 11.629 -26.658 1.00 41.44 N ATOM 0 H ASN A 86 8.459 8.527 -24.524 1.00 74.22 H new ATOM 0 HA ASN A 86 8.460 9.781 -27.107 1.00 73.42 H new ATOM 0 HB2 ASN A 86 10.178 9.760 -25.024 1.00 11.11 H new ATOM 0 HB3 ASN A 86 10.884 8.448 -25.947 1.00 11.11 H new ATOM 0 HD21 ASN A 86 11.176 12.351 -27.232 1.00 41.44 H new ATOM 0 HD22 ASN A 86 10.145 11.892 -25.873 1.00 41.44 H new ATOM 1368 N CYS A 87 8.606 6.574 -26.926 1.00 74.25 N ATOM 1369 CA CYS A 87 8.657 5.336 -27.696 1.00 60.30 C ATOM 1370 C CYS A 87 7.727 5.407 -28.903 1.00 31.43 C ATOM 1371 O CYS A 87 8.180 5.425 -30.048 1.00 11.24 O ATOM 1372 CB CYS A 87 8.277 4.146 -26.813 1.00 64.03 C ATOM 1373 SG CYS A 87 9.517 2.830 -26.775 1.00 74.12 S ATOM 0 H CYS A 87 8.264 6.464 -25.971 1.00 74.25 H new ATOM 0 HA CYS A 87 9.678 5.202 -28.055 1.00 60.30 H new ATOM 0 HB2 CYS A 87 8.108 4.501 -25.796 1.00 64.03 H new ATOM 0 HB3 CYS A 87 7.333 3.731 -27.167 1.00 64.03 H new ATOM 0 HG CYS A 87 9.107 1.870 -26.001 1.00 74.12 H new ATOM 1379 N ILE A 88 6.425 5.444 -28.638 1.00 43.23 N ATOM 1380 CA ILE A 88 5.432 5.512 -29.703 1.00 12.23 C ATOM 1381 C ILE A 88 5.489 6.855 -30.424 1.00 24.25 C ATOM 1382 O ILE A 88 5.185 6.947 -31.613 1.00 75.34 O ATOM 1383 CB ILE A 88 4.008 5.295 -29.158 1.00 54.41 C ATOM 1384 CG1 ILE A 88 3.607 6.452 -28.240 1.00 44.32 C ATOM 1385 CG2 ILE A 88 3.920 3.970 -28.417 1.00 70.51 C ATOM 1386 CD1 ILE A 88 2.797 7.523 -28.936 1.00 52.21 C ATOM 0 H ILE A 88 6.034 5.428 -27.696 1.00 43.23 H new ATOM 0 HA ILE A 88 5.669 4.714 -30.407 1.00 12.23 H new ATOM 0 HB ILE A 88 3.315 5.266 -29.999 1.00 54.41 H new ATOM 0 HG12 ILE A 88 3.030 6.058 -27.403 1.00 44.32 H new ATOM 0 HG13 ILE A 88 4.507 6.903 -27.822 1.00 44.32 H new ATOM 0 HG21 ILE A 88 2.907 3.832 -28.038 1.00 70.51 H new ATOM 0 HG22 ILE A 88 4.167 3.155 -29.098 1.00 70.51 H new ATOM 0 HG23 ILE A 88 4.622 3.972 -27.583 1.00 70.51 H new ATOM 0 HD11 ILE A 88 2.548 8.311 -28.225 1.00 52.21 H new ATOM 0 HD12 ILE A 88 3.379 7.944 -29.756 1.00 52.21 H new ATOM 0 HD13 ILE A 88 1.879 7.087 -29.330 1.00 52.21 H new ATOM 1398 N LEU A 89 5.884 7.894 -29.696 1.00 71.01 N ATOM 1399 CA LEU A 89 5.984 9.233 -30.266 1.00 40.03 C ATOM 1400 C LEU A 89 7.133 9.315 -31.266 1.00 24.23 C ATOM 1401 O LEU A 89 6.916 9.500 -32.463 1.00 64.25 O ATOM 1402 CB LEU A 89 6.183 10.267 -29.157 1.00 41.40 C ATOM 1403 CG LEU A 89 6.279 11.725 -29.608 1.00 43.21 C ATOM 1404 CD1 LEU A 89 5.585 12.640 -28.611 1.00 23.45 C ATOM 1405 CD2 LEU A 89 7.734 12.134 -29.786 1.00 24.40 C ATOM 0 H LEU A 89 6.140 7.835 -28.710 1.00 71.01 H new ATOM 0 HA LEU A 89 5.054 9.448 -30.792 1.00 40.03 H new ATOM 0 HB2 LEU A 89 5.355 10.179 -28.453 1.00 41.40 H new ATOM 0 HB3 LEU A 89 7.093 10.015 -28.612 1.00 41.40 H new ATOM 0 HG LEU A 89 5.775 11.821 -30.570 1.00 43.21 H new ATOM 0 HD11 LEU A 89 5.664 13.673 -28.949 1.00 23.45 H new ATOM 0 HD12 LEU A 89 4.534 12.363 -28.534 1.00 23.45 H new ATOM 0 HD13 LEU A 89 6.059 12.541 -27.635 1.00 23.45 H new ATOM 0 HD21 LEU A 89 7.783 13.174 -30.107 1.00 24.40 H new ATOM 0 HD22 LEU A 89 8.262 12.021 -28.839 1.00 24.40 H new ATOM 0 HD23 LEU A 89 8.201 11.499 -30.539 1.00 24.40 H new ATOM 1417 N PHE A 90 8.357 9.174 -30.766 1.00 35.42 N ATOM 1418 CA PHE A 90 9.541 9.230 -31.615 1.00 13.20 C ATOM 1419 C PHE A 90 9.534 8.095 -32.634 1.00 73.33 C ATOM 1420 O PHE A 90 9.505 8.330 -33.841 1.00 51.44 O ATOM 1421 CB PHE A 90 10.809 9.158 -30.763 1.00 24.33 C ATOM 1422 CG PHE A 90 12.069 9.417 -31.539 1.00 72.52 C ATOM 1423 CD1 PHE A 90 12.529 10.710 -31.728 1.00 35.10 C ATOM 1424 CD2 PHE A 90 12.793 8.366 -32.080 1.00 1.50 C ATOM 1425 CE1 PHE A 90 13.687 10.951 -32.443 1.00 34.32 C ATOM 1426 CE2 PHE A 90 13.952 8.601 -32.795 1.00 43.14 C ATOM 1427 CZ PHE A 90 14.400 9.895 -32.976 1.00 40.11 C ATOM 0 H PHE A 90 8.554 9.020 -29.777 1.00 35.42 H new ATOM 0 HA PHE A 90 9.527 10.178 -32.153 1.00 13.20 H new ATOM 0 HB2 PHE A 90 10.735 9.884 -29.953 1.00 24.33 H new ATOM 0 HB3 PHE A 90 10.872 8.172 -30.302 1.00 24.33 H new ATOM 0 HD1 PHE A 90 11.976 11.539 -31.312 1.00 35.10 H new ATOM 0 HD2 PHE A 90 12.447 7.352 -31.941 1.00 1.50 H new ATOM 0 HE1 PHE A 90 14.034 11.964 -32.585 1.00 34.32 H new ATOM 0 HE2 PHE A 90 14.507 7.774 -33.212 1.00 43.14 H new ATOM 0 HZ PHE A 90 15.306 10.081 -33.533 1.00 40.11 H new ATOM 1437 N ASN A 91 9.561 6.862 -32.138 1.00 70.02 N ATOM 1438 CA ASN A 91 9.559 5.689 -33.005 1.00 0.10 C ATOM 1439 C ASN A 91 9.644 4.406 -32.184 1.00 64.11 C ATOM 1440 O ASN A 91 10.688 4.089 -31.614 1.00 52.24 O ATOM 1441 CB ASN A 91 10.727 5.756 -33.991 1.00 22.32 C ATOM 1442 CG ASN A 91 10.263 5.856 -35.431 1.00 42.11 C ATOM 1443 OD1 ASN A 91 10.582 6.817 -36.132 1.00 35.11 O ATOM 1444 ND2 ASN A 91 9.506 4.861 -35.879 1.00 43.34 N ATOM 0 H ASN A 91 9.585 6.649 -31.141 1.00 70.02 H new ATOM 0 HA ASN A 91 8.622 5.681 -33.562 1.00 0.10 H new ATOM 0 HB2 ASN A 91 11.351 6.617 -33.753 1.00 22.32 H new ATOM 0 HB3 ASN A 91 11.349 4.869 -33.873 1.00 22.32 H new ATOM 0 HD21 ASN A 91 9.164 4.873 -36.840 1.00 43.34 H new ATOM 0 HD22 ASN A 91 9.267 4.085 -35.262 1.00 43.34 H new ATOM 1451 N GLY A 92 8.538 3.670 -32.129 1.00 1.21 N ATOM 1452 CA GLY A 92 8.509 2.430 -31.376 1.00 71.21 C ATOM 1453 C GLY A 92 7.338 1.547 -31.759 1.00 31.21 C ATOM 1454 O GLY A 92 7.515 0.515 -32.406 1.00 4.03 O ATOM 0 H GLY A 92 7.662 3.911 -32.592 1.00 1.21 H new ATOM 0 HA2 GLY A 92 9.439 1.886 -31.541 1.00 71.21 H new ATOM 0 HA3 GLY A 92 8.457 2.656 -30.311 1.00 71.21 H new ATOM 1458 N ALA A 93 6.137 1.951 -31.357 1.00 45.52 N ATOM 1459 CA ALA A 93 4.933 1.190 -31.662 1.00 72.24 C ATOM 1460 C ALA A 93 4.188 1.793 -32.848 1.00 73.14 C ATOM 1461 O ALA A 93 4.151 1.210 -33.931 1.00 64.42 O ATOM 1462 CB ALA A 93 4.025 1.127 -30.443 1.00 20.20 C ATOM 0 H ALA A 93 5.973 2.802 -30.819 1.00 45.52 H new ATOM 0 HA ALA A 93 5.232 0.177 -31.931 1.00 72.24 H new ATOM 0 HB1 ALA A 93 3.129 0.555 -30.686 1.00 20.20 H new ATOM 0 HB2 ALA A 93 4.553 0.643 -29.621 1.00 20.20 H new ATOM 0 HB3 ALA A 93 3.742 2.137 -30.148 1.00 20.20 H new ATOM 1468 N GLU A 94 3.594 2.963 -32.635 1.00 43.35 N ATOM 1469 CA GLU A 94 2.849 3.644 -33.688 1.00 34.41 C ATOM 1470 C GLU A 94 1.690 2.781 -34.178 1.00 73.54 C ATOM 1471 O GLU A 94 1.156 2.998 -35.265 1.00 54.51 O ATOM 1472 CB GLU A 94 3.773 3.988 -34.857 1.00 41.15 C ATOM 1473 CG GLU A 94 3.550 5.382 -35.420 1.00 34.22 C ATOM 1474 CD GLU A 94 4.842 6.056 -35.838 1.00 52.13 C ATOM 1475 OE1 GLU A 94 5.479 6.701 -34.979 1.00 52.32 O ATOM 1476 OE2 GLU A 94 5.216 5.939 -37.024 1.00 12.22 O ATOM 0 H GLU A 94 3.614 3.459 -31.744 1.00 43.35 H new ATOM 0 HA GLU A 94 2.443 4.566 -33.273 1.00 34.41 H new ATOM 0 HB2 GLU A 94 4.809 3.899 -34.529 1.00 41.15 H new ATOM 0 HB3 GLU A 94 3.627 3.257 -35.652 1.00 41.15 H new ATOM 0 HG2 GLU A 94 2.882 5.320 -36.279 1.00 34.22 H new ATOM 0 HG3 GLU A 94 3.050 5.996 -34.671 1.00 34.22 H new ATOM 1483 N GLY A 95 1.306 1.798 -33.368 1.00 44.32 N ATOM 1484 CA GLY A 95 0.214 0.916 -33.736 1.00 43.45 C ATOM 1485 C GLY A 95 0.067 -0.253 -32.783 1.00 71.15 C ATOM 1486 O GLY A 95 -1.031 -0.778 -32.600 1.00 63.42 O ATOM 0 H GLY A 95 1.732 1.597 -32.463 1.00 44.32 H new ATOM 0 HA2 GLY A 95 -0.716 1.484 -33.756 1.00 43.45 H new ATOM 0 HA3 GLY A 95 0.380 0.539 -34.745 1.00 43.45 H new ATOM 1490 N ALA A 96 1.176 -0.663 -32.176 1.00 53.03 N ATOM 1491 CA ALA A 96 1.165 -1.778 -31.237 1.00 50.41 C ATOM 1492 C ALA A 96 1.583 -1.324 -29.842 1.00 62.34 C ATOM 1493 O ALA A 96 2.528 -1.860 -29.262 1.00 74.31 O ATOM 1494 CB ALA A 96 2.078 -2.891 -31.728 1.00 45.35 C ATOM 0 H ALA A 96 2.093 -0.240 -32.318 1.00 53.03 H new ATOM 0 HA ALA A 96 0.146 -2.160 -31.176 1.00 50.41 H new ATOM 0 HB1 ALA A 96 2.060 -3.717 -31.017 1.00 45.35 H new ATOM 0 HB2 ALA A 96 1.733 -3.242 -32.701 1.00 45.35 H new ATOM 0 HB3 ALA A 96 3.096 -2.513 -31.819 1.00 45.35 H new ATOM 1500 N TYR A 97 0.875 -0.334 -29.310 1.00 62.42 N ATOM 1501 CA TYR A 97 1.175 0.193 -27.984 1.00 44.04 C ATOM 1502 C TYR A 97 1.244 -0.930 -26.954 1.00 65.01 C ATOM 1503 O TYR A 97 1.965 -0.833 -25.961 1.00 60.13 O ATOM 1504 CB TYR A 97 0.118 1.217 -27.569 1.00 1.23 C ATOM 1505 CG TYR A 97 -1.215 0.600 -27.212 1.00 14.21 C ATOM 1506 CD1 TYR A 97 -2.175 0.359 -28.188 1.00 4.21 C ATOM 1507 CD2 TYR A 97 -1.517 0.259 -25.899 1.00 44.32 C ATOM 1508 CE1 TYR A 97 -3.395 -0.204 -27.867 1.00 3.33 C ATOM 1509 CE2 TYR A 97 -2.733 -0.305 -25.569 1.00 73.31 C ATOM 1510 CZ TYR A 97 -3.669 -0.535 -26.556 1.00 51.31 C ATOM 1511 OH TYR A 97 -4.883 -1.096 -26.231 1.00 41.41 O ATOM 0 H TYR A 97 0.090 0.120 -29.776 1.00 62.42 H new ATOM 0 HA TYR A 97 2.148 0.682 -28.027 1.00 44.04 H new ATOM 0 HB2 TYR A 97 0.488 1.782 -26.714 1.00 1.23 H new ATOM 0 HB3 TYR A 97 -0.026 1.928 -28.383 1.00 1.23 H new ATOM 0 HD1 TYR A 97 -1.963 0.616 -29.215 1.00 4.21 H new ATOM 0 HD2 TYR A 97 -0.787 0.438 -25.123 1.00 44.32 H new ATOM 0 HE1 TYR A 97 -4.130 -0.384 -28.638 1.00 3.33 H new ATOM 0 HE2 TYR A 97 -2.950 -0.565 -24.544 1.00 73.31 H new ATOM 0 HH TYR A 97 -4.915 -1.270 -25.267 1.00 41.41 H new ATOM 1521 N ALA A 98 0.490 -1.996 -27.199 1.00 74.11 N ATOM 1522 CA ALA A 98 0.466 -3.139 -26.295 1.00 62.54 C ATOM 1523 C ALA A 98 1.872 -3.680 -26.057 1.00 41.21 C ATOM 1524 O ALA A 98 2.148 -4.282 -25.020 1.00 23.53 O ATOM 1525 CB ALA A 98 -0.434 -4.233 -26.851 1.00 14.22 C ATOM 0 H ALA A 98 -0.113 -2.092 -28.016 1.00 74.11 H new ATOM 0 HA ALA A 98 0.066 -2.805 -25.338 1.00 62.54 H new ATOM 0 HB1 ALA A 98 -0.442 -5.081 -26.166 1.00 14.22 H new ATOM 0 HB2 ALA A 98 -1.447 -3.848 -26.964 1.00 14.22 H new ATOM 0 HB3 ALA A 98 -0.058 -4.555 -27.822 1.00 14.22 H new ATOM 1531 N ASP A 99 2.757 -3.461 -27.024 1.00 14.12 N ATOM 1532 CA ASP A 99 4.135 -3.926 -26.919 1.00 12.22 C ATOM 1533 C ASP A 99 4.864 -3.211 -25.786 1.00 25.34 C ATOM 1534 O ASP A 99 5.673 -3.812 -25.078 1.00 74.34 O ATOM 1535 CB ASP A 99 4.873 -3.701 -28.239 1.00 63.22 C ATOM 1536 CG ASP A 99 4.275 -4.500 -29.380 1.00 62.23 C ATOM 1537 OD1 ASP A 99 3.431 -5.379 -29.110 1.00 34.12 O ATOM 1538 OD2 ASP A 99 4.652 -4.247 -30.544 1.00 23.31 O ATOM 0 H ASP A 99 2.544 -2.964 -27.889 1.00 14.12 H new ATOM 0 HA ASP A 99 4.117 -4.993 -26.699 1.00 12.22 H new ATOM 0 HB2 ASP A 99 4.848 -2.641 -28.490 1.00 63.22 H new ATOM 0 HB3 ASP A 99 5.921 -3.975 -28.117 1.00 63.22 H new ATOM 1543 N ALA A 100 4.574 -1.925 -25.620 1.00 43.01 N ATOM 1544 CA ALA A 100 5.202 -1.129 -24.573 1.00 11.13 C ATOM 1545 C ALA A 100 4.529 -1.366 -23.225 1.00 55.22 C ATOM 1546 O ALA A 100 5.130 -1.150 -22.174 1.00 1.24 O ATOM 1547 CB ALA A 100 5.158 0.348 -24.935 1.00 12.35 C ATOM 0 H ALA A 100 3.908 -1.412 -26.197 1.00 43.01 H new ATOM 0 HA ALA A 100 6.243 -1.440 -24.489 1.00 11.13 H new ATOM 0 HB1 ALA A 100 5.630 0.931 -24.144 1.00 12.35 H new ATOM 0 HB2 ALA A 100 5.691 0.509 -25.872 1.00 12.35 H new ATOM 0 HB3 ALA A 100 4.121 0.664 -25.048 1.00 12.35 H new ATOM 1553 N ALA A 101 3.277 -1.810 -23.264 1.00 73.35 N ATOM 1554 CA ALA A 101 2.522 -2.078 -22.046 1.00 43.42 C ATOM 1555 C ALA A 101 3.057 -3.313 -21.329 1.00 51.24 C ATOM 1556 O ALA A 101 3.019 -3.394 -20.102 1.00 23.35 O ATOM 1557 CB ALA A 101 1.045 -2.249 -22.367 1.00 70.22 C ATOM 0 H ALA A 101 2.764 -1.992 -24.127 1.00 73.35 H new ATOM 0 HA ALA A 101 2.640 -1.224 -21.379 1.00 43.42 H new ATOM 0 HB1 ALA A 101 0.494 -2.449 -21.448 1.00 70.22 H new ATOM 0 HB2 ALA A 101 0.665 -1.337 -22.828 1.00 70.22 H new ATOM 0 HB3 ALA A 101 0.917 -3.084 -23.056 1.00 70.22 H new ATOM 1563 N ARG A 102 3.553 -4.272 -22.104 1.00 23.13 N ATOM 1564 CA ARG A 102 4.094 -5.504 -21.542 1.00 74.20 C ATOM 1565 C ARG A 102 5.261 -5.208 -20.605 1.00 34.45 C ATOM 1566 O ARG A 102 5.281 -5.659 -19.459 1.00 21.43 O ATOM 1567 CB ARG A 102 4.549 -6.443 -22.661 1.00 5.23 C ATOM 1568 CG ARG A 102 4.317 -7.913 -22.355 1.00 30.45 C ATOM 1569 CD ARG A 102 2.834 -8.231 -22.241 1.00 22.04 C ATOM 1570 NE ARG A 102 2.553 -9.144 -21.136 1.00 3.55 N ATOM 1571 CZ ARG A 102 1.355 -9.666 -20.900 1.00 53.32 C ATOM 1572 NH1 ARG A 102 0.332 -9.368 -21.689 1.00 14.51 N ATOM 1573 NH2 ARG A 102 1.178 -10.489 -19.874 1.00 50.44 N ATOM 0 H ARG A 102 3.591 -4.220 -23.122 1.00 23.13 H new ATOM 0 HA ARG A 102 3.305 -5.989 -20.968 1.00 74.20 H new ATOM 0 HB2 ARG A 102 4.020 -6.184 -23.578 1.00 5.23 H new ATOM 0 HB3 ARG A 102 5.611 -6.283 -22.849 1.00 5.23 H new ATOM 0 HG2 ARG A 102 4.762 -8.524 -23.140 1.00 30.45 H new ATOM 0 HG3 ARG A 102 4.819 -8.176 -21.424 1.00 30.45 H new ATOM 0 HD2 ARG A 102 2.275 -7.306 -22.098 1.00 22.04 H new ATOM 0 HD3 ARG A 102 2.485 -8.673 -23.174 1.00 22.04 H new ATOM 0 HE ARG A 102 3.319 -9.394 -20.511 1.00 3.55 H new ATOM 0 HH11 ARG A 102 0.464 -8.737 -22.479 1.00 14.51 H new ATOM 0 HH12 ARG A 102 -0.587 -9.770 -21.506 1.00 14.51 H new ATOM 0 HH21 ARG A 102 1.963 -10.721 -19.265 1.00 50.44 H new ATOM 0 HH22 ARG A 102 0.257 -10.889 -19.694 1.00 50.44 H new ATOM 1587 N THR A 103 6.232 -4.448 -21.099 1.00 43.31 N ATOM 1588 CA THR A 103 7.403 -4.093 -20.307 1.00 43.14 C ATOM 1589 C THR A 103 7.018 -3.228 -19.113 1.00 11.12 C ATOM 1590 O THR A 103 7.640 -3.302 -18.053 1.00 63.31 O ATOM 1591 CB THR A 103 8.448 -3.342 -21.155 1.00 31.14 C ATOM 1592 OG1 THR A 103 9.564 -2.969 -20.339 1.00 13.55 O ATOM 1593 CG2 THR A 103 7.839 -2.101 -21.789 1.00 41.12 C ATOM 0 H THR A 103 6.231 -4.066 -22.045 1.00 43.31 H new ATOM 0 HA THR A 103 7.838 -5.027 -19.950 1.00 43.14 H new ATOM 0 HB THR A 103 8.786 -4.008 -21.949 1.00 31.14 H new ATOM 0 HG1 THR A 103 10.224 -2.493 -20.885 1.00 13.55 H new ATOM 0 HG21 THR A 103 8.595 -1.587 -22.383 1.00 41.12 H new ATOM 0 HG22 THR A 103 7.008 -2.391 -22.432 1.00 41.12 H new ATOM 0 HG23 THR A 103 7.476 -1.434 -21.007 1.00 41.12 H new ATOM 1601 N PHE A 104 5.987 -2.408 -19.290 1.00 43.10 N ATOM 1602 CA PHE A 104 5.519 -1.528 -18.226 1.00 12.22 C ATOM 1603 C PHE A 104 5.050 -2.335 -17.019 1.00 72.51 C ATOM 1604 O PHE A 104 5.472 -2.085 -15.891 1.00 34.44 O ATOM 1605 CB PHE A 104 4.380 -0.640 -18.733 1.00 65.22 C ATOM 1606 CG PHE A 104 3.778 0.230 -17.667 1.00 44.24 C ATOM 1607 CD1 PHE A 104 4.312 1.479 -17.391 1.00 31.44 C ATOM 1608 CD2 PHE A 104 2.679 -0.200 -16.942 1.00 61.30 C ATOM 1609 CE1 PHE A 104 3.760 2.282 -16.411 1.00 0.23 C ATOM 1610 CE2 PHE A 104 2.123 0.599 -15.961 1.00 52.04 C ATOM 1611 CZ PHE A 104 2.665 1.841 -15.695 1.00 14.25 C ATOM 0 H PHE A 104 5.460 -2.335 -20.160 1.00 43.10 H new ATOM 0 HA PHE A 104 6.353 -0.897 -17.918 1.00 12.22 H new ATOM 0 HB2 PHE A 104 4.754 -0.008 -19.538 1.00 65.22 H new ATOM 0 HB3 PHE A 104 3.600 -1.271 -19.159 1.00 65.22 H new ATOM 0 HD1 PHE A 104 5.169 1.828 -17.948 1.00 31.44 H new ATOM 0 HD2 PHE A 104 2.252 -1.171 -17.146 1.00 61.30 H new ATOM 0 HE1 PHE A 104 4.185 3.253 -16.205 1.00 0.23 H new ATOM 0 HE2 PHE A 104 1.266 0.253 -15.403 1.00 52.04 H new ATOM 0 HZ PHE A 104 2.233 2.467 -14.928 1.00 14.25 H new ATOM 1621 N GLU A 105 4.174 -3.305 -17.267 1.00 42.52 N ATOM 1622 CA GLU A 105 3.647 -4.148 -16.201 1.00 13.11 C ATOM 1623 C GLU A 105 4.779 -4.809 -15.420 1.00 12.23 C ATOM 1624 O GLU A 105 4.758 -4.851 -14.189 1.00 50.44 O ATOM 1625 CB GLU A 105 2.719 -5.218 -16.779 1.00 35.21 C ATOM 1626 CG GLU A 105 1.459 -4.653 -17.414 1.00 21.10 C ATOM 1627 CD GLU A 105 0.570 -3.942 -16.413 1.00 13.41 C ATOM 1628 OE1 GLU A 105 0.781 -4.127 -15.196 1.00 33.21 O ATOM 1629 OE2 GLU A 105 -0.337 -3.200 -16.846 1.00 2.03 O ATOM 0 H GLU A 105 3.815 -3.526 -18.196 1.00 42.52 H new ATOM 0 HA GLU A 105 3.080 -3.515 -15.519 1.00 13.11 H new ATOM 0 HB2 GLU A 105 3.265 -5.795 -17.526 1.00 35.21 H new ATOM 0 HB3 GLU A 105 2.437 -5.910 -15.985 1.00 35.21 H new ATOM 0 HG2 GLU A 105 1.736 -3.958 -18.206 1.00 21.10 H new ATOM 0 HG3 GLU A 105 0.898 -5.462 -17.882 1.00 21.10 H new ATOM 1636 N LYS A 106 5.766 -5.325 -16.143 1.00 62.23 N ATOM 1637 CA LYS A 106 6.908 -5.984 -15.521 1.00 22.14 C ATOM 1638 C LYS A 106 7.535 -5.093 -14.453 1.00 12.00 C ATOM 1639 O LYS A 106 7.855 -5.552 -13.357 1.00 25.44 O ATOM 1640 CB LYS A 106 7.954 -6.344 -16.578 1.00 24.11 C ATOM 1641 CG LYS A 106 7.907 -7.799 -17.010 1.00 74.40 C ATOM 1642 CD LYS A 106 8.257 -8.733 -15.864 1.00 23.22 C ATOM 1643 CE LYS A 106 7.103 -9.667 -15.532 1.00 41.32 C ATOM 1644 NZ LYS A 106 7.535 -10.795 -14.662 1.00 31.30 N ATOM 0 H LYS A 106 5.798 -5.300 -17.162 1.00 62.23 H new ATOM 0 HA LYS A 106 6.553 -6.898 -15.045 1.00 22.14 H new ATOM 0 HB2 LYS A 106 7.808 -5.709 -17.452 1.00 24.11 H new ATOM 0 HB3 LYS A 106 8.946 -6.122 -16.185 1.00 24.11 H new ATOM 0 HG2 LYS A 106 6.911 -8.037 -17.383 1.00 74.40 H new ATOM 0 HG3 LYS A 106 8.602 -7.957 -17.835 1.00 74.40 H new ATOM 0 HD2 LYS A 106 9.137 -9.320 -16.128 1.00 23.22 H new ATOM 0 HD3 LYS A 106 8.517 -8.147 -14.982 1.00 23.22 H new ATOM 0 HE2 LYS A 106 6.313 -9.105 -15.033 1.00 41.32 H new ATOM 0 HE3 LYS A 106 6.679 -10.062 -16.455 1.00 41.32 H new ATOM 0 HZ1 LYS A 106 6.720 -11.408 -14.459 1.00 31.30 H new ATOM 0 HZ2 LYS A 106 8.271 -11.346 -15.148 1.00 31.30 H new ATOM 0 HZ3 LYS A 106 7.917 -10.419 -13.770 1.00 31.30 H new ATOM 1658 N PHE A 107 7.705 -3.816 -14.780 1.00 24.22 N ATOM 1659 CA PHE A 107 8.293 -2.861 -13.848 1.00 42.43 C ATOM 1660 C PHE A 107 7.489 -2.799 -12.553 1.00 24.02 C ATOM 1661 O PHE A 107 8.052 -2.831 -11.459 1.00 11.03 O ATOM 1662 CB PHE A 107 8.362 -1.471 -14.486 1.00 31.24 C ATOM 1663 CG PHE A 107 9.642 -1.215 -15.227 1.00 44.44 C ATOM 1664 CD1 PHE A 107 10.040 -2.050 -16.259 1.00 51.43 C ATOM 1665 CD2 PHE A 107 10.448 -0.138 -14.893 1.00 63.24 C ATOM 1666 CE1 PHE A 107 11.218 -1.816 -16.943 1.00 22.11 C ATOM 1667 CE2 PHE A 107 11.628 0.101 -15.574 1.00 34.42 C ATOM 1668 CZ PHE A 107 12.012 -0.739 -16.601 1.00 24.04 C ATOM 0 H PHE A 107 7.444 -3.419 -15.683 1.00 24.22 H new ATOM 0 HA PHE A 107 9.303 -3.196 -13.612 1.00 42.43 H new ATOM 0 HB2 PHE A 107 7.524 -1.353 -15.173 1.00 31.24 H new ATOM 0 HB3 PHE A 107 8.245 -0.717 -13.708 1.00 31.24 H new ATOM 0 HD1 PHE A 107 9.423 -2.893 -16.532 1.00 51.43 H new ATOM 0 HD2 PHE A 107 10.151 0.522 -14.092 1.00 63.24 H new ATOM 0 HE1 PHE A 107 11.517 -2.475 -17.745 1.00 22.11 H new ATOM 0 HE2 PHE A 107 12.248 0.943 -15.303 1.00 34.42 H new ATOM 0 HZ PHE A 107 12.932 -0.554 -17.136 1.00 24.04 H new ATOM 1678 N ALA A 108 6.170 -2.710 -12.686 1.00 21.03 N ATOM 1679 CA ALA A 108 5.288 -2.645 -11.527 1.00 22.40 C ATOM 1680 C ALA A 108 5.513 -3.834 -10.599 1.00 72.51 C ATOM 1681 O ALA A 108 5.476 -3.696 -9.377 1.00 15.41 O ATOM 1682 CB ALA A 108 3.834 -2.588 -11.973 1.00 25.44 C ATOM 0 H ALA A 108 5.688 -2.681 -13.585 1.00 21.03 H new ATOM 0 HA ALA A 108 5.522 -1.736 -10.973 1.00 22.40 H new ATOM 0 HB1 ALA A 108 3.186 -2.540 -11.097 1.00 25.44 H new ATOM 0 HB2 ALA A 108 3.677 -1.703 -12.590 1.00 25.44 H new ATOM 0 HB3 ALA A 108 3.596 -3.480 -12.552 1.00 25.44 H new ATOM 1688 N MET A 109 5.745 -5.003 -11.188 1.00 2.00 N ATOM 1689 CA MET A 109 5.976 -6.216 -10.413 1.00 23.42 C ATOM 1690 C MET A 109 7.189 -6.057 -9.502 1.00 2.34 C ATOM 1691 O MET A 109 7.141 -6.402 -8.322 1.00 11.43 O ATOM 1692 CB MET A 109 6.178 -7.412 -11.345 1.00 63.23 C ATOM 1693 CG MET A 109 6.176 -8.751 -10.626 1.00 22.22 C ATOM 1694 SD MET A 109 4.514 -9.402 -10.375 1.00 74.53 S ATOM 1695 CE MET A 109 4.820 -10.638 -9.115 1.00 42.03 C ATOM 0 H MET A 109 5.778 -5.135 -12.199 1.00 2.00 H new ATOM 0 HA MET A 109 5.098 -6.392 -9.792 1.00 23.42 H new ATOM 0 HB2 MET A 109 5.390 -7.412 -12.098 1.00 63.23 H new ATOM 0 HB3 MET A 109 7.124 -7.294 -11.874 1.00 63.23 H new ATOM 0 HG2 MET A 109 6.760 -9.469 -11.202 1.00 22.22 H new ATOM 0 HG3 MET A 109 6.669 -8.641 -9.660 1.00 22.22 H new ATOM 0 HE1 MET A 109 3.883 -11.130 -8.853 1.00 42.03 H new ATOM 0 HE2 MET A 109 5.525 -11.378 -9.495 1.00 42.03 H new ATOM 0 HE3 MET A 109 5.238 -10.159 -8.230 1.00 42.03 H new ATOM 1705 N GLY A 110 8.277 -5.532 -10.058 1.00 11.52 N ATOM 1706 CA GLY A 110 9.487 -5.336 -9.281 1.00 33.14 C ATOM 1707 C GLY A 110 9.260 -4.457 -8.067 1.00 24.14 C ATOM 1708 O GLY A 110 9.737 -4.761 -6.973 1.00 3.41 O ATOM 0 H GLY A 110 8.342 -5.239 -11.033 1.00 11.52 H new ATOM 0 HA2 GLY A 110 9.869 -6.305 -8.958 1.00 33.14 H new ATOM 0 HA3 GLY A 110 10.252 -4.886 -9.913 1.00 33.14 H new ATOM 1712 N LYS A 111 8.532 -3.363 -8.258 1.00 52.43 N ATOM 1713 CA LYS A 111 8.243 -2.435 -7.171 1.00 33.21 C ATOM 1714 C LYS A 111 7.580 -3.157 -6.002 1.00 4.03 C ATOM 1715 O LYS A 111 7.887 -2.887 -4.840 1.00 31.20 O ATOM 1716 CB LYS A 111 7.338 -1.304 -7.665 1.00 35.33 C ATOM 1717 CG LYS A 111 7.283 -0.114 -6.723 1.00 43.43 C ATOM 1718 CD LYS A 111 6.117 -0.221 -5.755 1.00 51.44 C ATOM 1719 CE LYS A 111 4.826 0.286 -6.380 1.00 71.31 C ATOM 1720 NZ LYS A 111 4.589 1.724 -6.075 1.00 41.04 N ATOM 0 H LYS A 111 8.130 -3.096 -9.157 1.00 52.43 H new ATOM 0 HA LYS A 111 9.187 -2.012 -6.827 1.00 33.21 H new ATOM 0 HB2 LYS A 111 7.690 -0.968 -8.641 1.00 35.33 H new ATOM 0 HB3 LYS A 111 6.329 -1.692 -7.806 1.00 35.33 H new ATOM 0 HG2 LYS A 111 8.216 -0.048 -6.164 1.00 43.43 H new ATOM 0 HG3 LYS A 111 7.193 0.805 -7.302 1.00 43.43 H new ATOM 0 HD2 LYS A 111 5.991 -1.259 -5.449 1.00 51.44 H new ATOM 0 HD3 LYS A 111 6.336 0.353 -4.854 1.00 51.44 H new ATOM 0 HE2 LYS A 111 4.866 0.146 -7.460 1.00 71.31 H new ATOM 0 HE3 LYS A 111 3.988 -0.306 -6.013 1.00 71.31 H new ATOM 0 HZ1 LYS A 111 3.700 2.031 -6.519 1.00 41.04 H new ATOM 0 HZ2 LYS A 111 4.525 1.855 -5.045 1.00 41.04 H new ATOM 0 HZ3 LYS A 111 5.376 2.292 -6.448 1.00 41.04 H new ATOM 1734 N ILE A 112 6.673 -4.075 -6.317 1.00 23.34 N ATOM 1735 CA ILE A 112 5.971 -4.837 -5.292 1.00 34.14 C ATOM 1736 C ILE A 112 6.945 -5.650 -4.446 1.00 71.54 C ATOM 1737 O ILE A 112 6.812 -5.723 -3.225 1.00 1.24 O ATOM 1738 CB ILE A 112 4.929 -5.787 -5.911 1.00 70.34 C ATOM 1739 CG1 ILE A 112 3.933 -5.000 -6.765 1.00 72.34 C ATOM 1740 CG2 ILE A 112 4.204 -6.562 -4.821 1.00 60.22 C ATOM 1741 CD1 ILE A 112 3.098 -5.872 -7.678 1.00 3.34 C ATOM 0 H ILE A 112 6.407 -4.309 -7.273 1.00 23.34 H new ATOM 0 HA ILE A 112 5.459 -4.114 -4.657 1.00 34.14 H new ATOM 0 HB ILE A 112 5.446 -6.500 -6.553 1.00 70.34 H new ATOM 0 HG12 ILE A 112 3.270 -4.436 -6.109 1.00 72.34 H new ATOM 0 HG13 ILE A 112 4.478 -4.274 -7.368 1.00 72.34 H new ATOM 0 HG21 ILE A 112 3.471 -7.229 -5.275 1.00 60.22 H new ATOM 0 HG22 ILE A 112 4.924 -7.149 -4.251 1.00 60.22 H new ATOM 0 HG23 ILE A 112 3.696 -5.864 -4.155 1.00 60.22 H new ATOM 0 HD11 ILE A 112 2.415 -5.247 -8.253 1.00 3.34 H new ATOM 0 HD12 ILE A 112 3.752 -6.417 -8.359 1.00 3.34 H new ATOM 0 HD13 ILE A 112 2.525 -6.581 -7.080 1.00 3.34 H new ATOM 1753 N ASP A 113 7.925 -6.260 -5.105 1.00 13.41 N ATOM 1754 CA ASP A 113 8.924 -7.066 -4.414 1.00 43.00 C ATOM 1755 C ASP A 113 9.683 -6.229 -3.389 1.00 22.43 C ATOM 1756 O ASP A 113 9.803 -6.614 -2.226 1.00 13.43 O ATOM 1757 CB ASP A 113 9.903 -7.675 -5.419 1.00 42.43 C ATOM 1758 CG ASP A 113 9.394 -8.975 -6.009 1.00 31.34 C ATOM 1759 OD1 ASP A 113 8.185 -9.256 -5.869 1.00 63.15 O ATOM 1760 OD2 ASP A 113 10.204 -9.713 -6.608 1.00 43.12 O ATOM 0 H ASP A 113 8.048 -6.211 -6.116 1.00 13.41 H new ATOM 0 HA ASP A 113 8.407 -7.870 -3.889 1.00 43.00 H new ATOM 0 HB2 ASP A 113 10.085 -6.961 -6.223 1.00 42.43 H new ATOM 0 HB3 ASP A 113 10.860 -7.852 -4.928 1.00 42.43 H new ATOM 1765 N ALA A 114 10.195 -5.085 -3.829 1.00 2.32 N ATOM 1766 CA ALA A 114 10.942 -4.194 -2.949 1.00 53.44 C ATOM 1767 C ALA A 114 10.063 -3.679 -1.815 1.00 33.04 C ATOM 1768 O ALA A 114 10.518 -3.536 -0.680 1.00 30.04 O ATOM 1769 CB ALA A 114 11.518 -3.030 -3.743 1.00 14.03 C ATOM 0 H ALA A 114 10.107 -4.753 -4.789 1.00 2.32 H new ATOM 0 HA ALA A 114 11.762 -4.761 -2.509 1.00 53.44 H new ATOM 0 HB1 ALA A 114 12.073 -2.373 -3.074 1.00 14.03 H new ATOM 0 HB2 ALA A 114 12.187 -3.411 -4.514 1.00 14.03 H new ATOM 0 HB3 ALA A 114 10.707 -2.471 -4.210 1.00 14.03 H new ATOM 1775 N TYR A 115 8.802 -3.402 -2.128 1.00 41.23 N ATOM 1776 CA TYR A 115 7.860 -2.900 -1.135 1.00 50.21 C ATOM 1777 C TYR A 115 7.843 -3.795 0.100 1.00 14.34 C ATOM 1778 O TYR A 115 7.865 -3.310 1.232 1.00 15.40 O ATOM 1779 CB TYR A 115 6.455 -2.810 -1.734 1.00 21.35 C ATOM 1780 CG TYR A 115 5.379 -2.518 -0.712 1.00 43.00 C ATOM 1781 CD1 TYR A 115 5.578 -1.570 0.284 1.00 24.11 C ATOM 1782 CD2 TYR A 115 4.163 -3.189 -0.744 1.00 21.22 C ATOM 1783 CE1 TYR A 115 4.599 -1.301 1.220 1.00 54.43 C ATOM 1784 CE2 TYR A 115 3.177 -2.925 0.187 1.00 71.11 C ATOM 1785 CZ TYR A 115 3.400 -1.980 1.167 1.00 74.32 C ATOM 1786 OH TYR A 115 2.420 -1.714 2.096 1.00 4.42 O ATOM 0 H TYR A 115 8.409 -3.517 -3.062 1.00 41.23 H new ATOM 0 HA TYR A 115 8.184 -1.903 -0.835 1.00 50.21 H new ATOM 0 HB2 TYR A 115 6.443 -2.030 -2.495 1.00 21.35 H new ATOM 0 HB3 TYR A 115 6.222 -3.749 -2.236 1.00 21.35 H new ATOM 0 HD1 TYR A 115 6.515 -1.034 0.327 1.00 24.11 H new ATOM 0 HD2 TYR A 115 3.985 -3.930 -1.510 1.00 21.22 H new ATOM 0 HE1 TYR A 115 4.771 -0.563 1.989 1.00 54.43 H new ATOM 0 HE2 TYR A 115 2.237 -3.455 0.148 1.00 71.11 H new ATOM 0 HH TYR A 115 1.638 -2.277 1.917 1.00 4.42 H new ATOM 1796 N ILE A 116 7.804 -5.103 -0.126 1.00 34.44 N ATOM 1797 CA ILE A 116 7.785 -6.067 0.968 1.00 1.20 C ATOM 1798 C ILE A 116 9.114 -6.075 1.716 1.00 61.33 C ATOM 1799 O ILE A 116 9.151 -6.236 2.935 1.00 32.45 O ATOM 1800 CB ILE A 116 7.486 -7.490 0.460 1.00 54.40 C ATOM 1801 CG1 ILE A 116 6.157 -7.514 -0.299 1.00 65.53 C ATOM 1802 CG2 ILE A 116 7.456 -8.472 1.622 1.00 45.44 C ATOM 1803 CD1 ILE A 116 6.256 -8.151 -1.668 1.00 52.52 C ATOM 0 H ILE A 116 7.785 -5.520 -1.057 1.00 34.44 H new ATOM 0 HA ILE A 116 6.990 -5.758 1.647 1.00 1.20 H new ATOM 0 HB ILE A 116 8.280 -7.791 -0.224 1.00 54.40 H new ATOM 0 HG12 ILE A 116 5.419 -8.056 0.293 1.00 65.53 H new ATOM 0 HG13 ILE A 116 5.791 -6.493 -0.407 1.00 65.53 H new ATOM 0 HG21 ILE A 116 7.244 -9.473 1.247 1.00 45.44 H new ATOM 0 HG22 ILE A 116 8.423 -8.470 2.125 1.00 45.44 H new ATOM 0 HG23 ILE A 116 6.680 -8.177 2.328 1.00 45.44 H new ATOM 0 HD11 ILE A 116 5.278 -8.134 -2.149 1.00 52.52 H new ATOM 0 HD12 ILE A 116 6.970 -7.596 -2.277 1.00 52.52 H new ATOM 0 HD13 ILE A 116 6.592 -9.183 -1.566 1.00 52.52 H new ATOM 1815 N SER A 117 10.204 -5.899 0.976 1.00 42.02 N ATOM 1816 CA SER A 117 11.537 -5.888 1.568 1.00 34.22 C ATOM 1817 C SER A 117 11.662 -4.774 2.603 1.00 60.11 C ATOM 1818 O SER A 117 12.291 -4.950 3.646 1.00 71.10 O ATOM 1819 CB SER A 117 12.599 -5.713 0.482 1.00 44.22 C ATOM 1820 OG SER A 117 13.093 -6.967 0.044 1.00 3.13 O ATOM 0 H SER A 117 10.190 -5.762 -0.035 1.00 42.02 H new ATOM 0 HA SER A 117 11.694 -6.844 2.068 1.00 34.22 H new ATOM 0 HB2 SER A 117 12.174 -5.171 -0.363 1.00 44.22 H new ATOM 0 HB3 SER A 117 13.421 -5.109 0.867 1.00 44.22 H new ATOM 0 HG SER A 117 13.724 -6.831 -0.694 1.00 3.13 H new ATOM 1826 N GLN A 118 11.059 -3.628 2.305 1.00 13.21 N ATOM 1827 CA GLN A 118 11.103 -2.484 3.209 1.00 63.43 C ATOM 1828 C GLN A 118 9.719 -2.181 3.771 1.00 13.23 C ATOM 1829 O GLN A 118 9.107 -1.168 3.431 1.00 74.21 O ATOM 1830 CB GLN A 118 11.653 -1.255 2.483 1.00 73.02 C ATOM 1831 CG GLN A 118 10.926 -0.939 1.186 1.00 72.24 C ATOM 1832 CD GLN A 118 11.856 -0.906 -0.011 1.00 74.43 C ATOM 1833 OE1 GLN A 118 11.823 0.028 -0.812 1.00 53.51 O ATOM 1834 NE2 GLN A 118 12.692 -1.930 -0.140 1.00 1.44 N ATOM 0 H GLN A 118 10.534 -3.467 1.445 1.00 13.21 H new ATOM 0 HA GLN A 118 11.765 -2.733 4.039 1.00 63.43 H new ATOM 0 HB2 GLN A 118 11.588 -0.392 3.146 1.00 73.02 H new ATOM 0 HB3 GLN A 118 12.710 -1.413 2.268 1.00 73.02 H new ATOM 0 HG2 GLN A 118 10.150 -1.686 1.018 1.00 72.24 H new ATOM 0 HG3 GLN A 118 10.426 0.025 1.280 1.00 72.24 H new ATOM 0 HE21 GLN A 118 12.686 -2.683 0.548 1.00 1.44 H new ATOM 0 HE22 GLN A 118 13.340 -1.963 -0.927 1.00 1.44 H new ATOM 1843 N LYS A 119 9.229 -3.065 4.634 1.00 3.32 N ATOM 1844 CA LYS A 119 7.917 -2.892 5.246 1.00 70.13 C ATOM 1845 C LYS A 119 8.038 -2.734 6.758 1.00 10.00 C ATOM 1846 O LYS A 119 7.113 -2.261 7.419 1.00 43.42 O ATOM 1847 CB LYS A 119 7.018 -4.086 4.917 1.00 15.14 C ATOM 1848 CG LYS A 119 5.547 -3.725 4.797 1.00 1.40 C ATOM 1849 CD LYS A 119 4.767 -4.801 4.062 1.00 72.41 C ATOM 1850 CE LYS A 119 3.515 -5.204 4.827 1.00 5.33 C ATOM 1851 NZ LYS A 119 2.317 -4.448 4.368 1.00 4.33 N ATOM 0 H LYS A 119 9.722 -3.909 4.925 1.00 3.32 H new ATOM 0 HA LYS A 119 7.470 -1.985 4.839 1.00 70.13 H new ATOM 0 HB2 LYS A 119 7.351 -4.534 3.981 1.00 15.14 H new ATOM 0 HB3 LYS A 119 7.136 -4.843 5.692 1.00 15.14 H new ATOM 0 HG2 LYS A 119 5.124 -3.583 5.792 1.00 1.40 H new ATOM 0 HG3 LYS A 119 5.446 -2.777 4.269 1.00 1.40 H new ATOM 0 HD2 LYS A 119 4.489 -4.438 3.072 1.00 72.41 H new ATOM 0 HD3 LYS A 119 5.401 -5.675 3.914 1.00 72.41 H new ATOM 0 HE2 LYS A 119 3.340 -6.272 4.701 1.00 5.33 H new ATOM 0 HE3 LYS A 119 3.668 -5.030 5.892 1.00 5.33 H new ATOM 0 HZ1 LYS A 119 1.485 -4.751 4.913 1.00 4.33 H new ATOM 0 HZ2 LYS A 119 2.473 -3.430 4.512 1.00 4.33 H new ATOM 0 HZ3 LYS A 119 2.155 -4.634 3.358 1.00 4.33 H new ATOM 1865 N VAL A 120 9.184 -3.132 7.300 1.00 25.04 N ATOM 1866 CA VAL A 120 9.427 -3.032 8.735 1.00 42.15 C ATOM 1867 C VAL A 120 9.513 -1.576 9.177 1.00 13.41 C ATOM 1868 O VAL A 120 9.170 -1.239 10.310 1.00 40.23 O ATOM 1869 CB VAL A 120 10.726 -3.756 9.136 1.00 61.12 C ATOM 1870 CG1 VAL A 120 11.938 -3.036 8.564 1.00 74.14 C ATOM 1871 CG2 VAL A 120 10.828 -3.868 10.650 1.00 54.55 C ATOM 0 H VAL A 120 9.959 -3.527 6.768 1.00 25.04 H new ATOM 0 HA VAL A 120 8.584 -3.511 9.233 1.00 42.15 H new ATOM 0 HB VAL A 120 10.702 -4.763 8.720 1.00 61.12 H new ATOM 0 HG11 VAL A 120 12.846 -3.562 8.858 1.00 74.14 H new ATOM 0 HG12 VAL A 120 11.868 -3.013 7.477 1.00 74.14 H new ATOM 0 HG13 VAL A 120 11.970 -2.016 8.947 1.00 74.14 H new ATOM 0 HG21 VAL A 120 11.752 -4.382 10.915 1.00 54.55 H new ATOM 0 HG22 VAL A 120 10.829 -2.870 11.089 1.00 54.55 H new ATOM 0 HG23 VAL A 120 9.977 -4.432 11.031 1.00 54.55 H new ATOM 1881 N GLY A 121 9.972 -0.714 8.274 1.00 24.24 N ATOM 1882 CA GLY A 121 10.094 0.697 8.590 1.00 25.14 C ATOM 1883 C GLY A 121 10.676 1.500 7.443 1.00 32.35 C ATOM 1884 O GLY A 121 11.758 2.073 7.563 1.00 32.42 O ATOM 0 H GLY A 121 10.261 -0.968 7.329 1.00 24.24 H new ATOM 0 HA2 GLY A 121 9.112 1.095 8.847 1.00 25.14 H new ATOM 0 HA3 GLY A 121 10.726 0.816 9.470 1.00 25.14 H new ATOM 1888 N GLY A 122 9.956 1.540 6.326 1.00 14.24 N ATOM 1889 CA GLY A 122 10.423 2.280 5.169 1.00 64.44 C ATOM 1890 C GLY A 122 9.303 2.621 4.207 1.00 74.42 C ATOM 1891 O GLY A 122 9.280 3.708 3.629 1.00 72.05 O ATOM 0 H GLY A 122 9.058 1.073 6.202 1.00 14.24 H new ATOM 0 HA2 GLY A 122 10.905 3.200 5.500 1.00 64.44 H new ATOM 0 HA3 GLY A 122 11.179 1.693 4.648 1.00 64.44 H new ATOM 1895 N LEU A 123 8.371 1.690 4.033 1.00 72.10 N ATOM 1896 CA LEU A 123 7.242 1.896 3.133 1.00 53.45 C ATOM 1897 C LEU A 123 5.937 1.451 3.785 1.00 73.15 C ATOM 1898 O LEU A 123 4.909 2.115 3.655 1.00 42.23 O ATOM 1899 CB LEU A 123 7.460 1.131 1.826 1.00 55.31 C ATOM 1900 CG LEU A 123 8.486 1.728 0.862 1.00 21.52 C ATOM 1901 CD1 LEU A 123 8.626 0.855 -0.376 1.00 12.04 C ATOM 1902 CD2 LEU A 123 8.094 3.146 0.475 1.00 14.05 C ATOM 0 H LEU A 123 8.375 0.785 4.504 1.00 72.10 H new ATOM 0 HA LEU A 123 7.172 2.962 2.916 1.00 53.45 H new ATOM 0 HB2 LEU A 123 7.769 0.115 2.070 1.00 55.31 H new ATOM 0 HB3 LEU A 123 6.504 1.057 1.308 1.00 55.31 H new ATOM 0 HG LEU A 123 9.451 1.765 1.367 1.00 21.52 H new ATOM 0 HD11 LEU A 123 9.360 1.295 -1.051 1.00 12.04 H new ATOM 0 HD12 LEU A 123 8.955 -0.142 -0.083 1.00 12.04 H new ATOM 0 HD13 LEU A 123 7.664 0.785 -0.883 1.00 12.04 H new ATOM 0 HD21 LEU A 123 8.836 3.554 -0.211 1.00 14.05 H new ATOM 0 HD22 LEU A 123 7.118 3.134 -0.011 1.00 14.05 H new ATOM 0 HD23 LEU A 123 8.046 3.767 1.369 1.00 14.05 H new ATOM 1914 N GLU A 124 5.987 0.323 4.487 1.00 11.52 N ATOM 1915 CA GLU A 124 4.808 -0.209 5.161 1.00 62.14 C ATOM 1916 C GLU A 124 3.631 -0.313 4.195 1.00 32.54 C ATOM 1917 O GLU A 124 2.477 -0.151 4.590 1.00 74.34 O ATOM 1918 CB GLU A 124 4.430 0.676 6.350 1.00 32.53 C ATOM 1919 CG GLU A 124 5.601 1.007 7.259 1.00 23.14 C ATOM 1920 CD GLU A 124 5.166 1.343 8.673 1.00 63.24 C ATOM 1921 OE1 GLU A 124 4.186 0.735 9.151 1.00 32.22 O ATOM 1922 OE2 GLU A 124 5.805 2.213 9.300 1.00 43.13 O ATOM 0 H GLU A 124 6.830 -0.239 4.604 1.00 11.52 H new ATOM 0 HA GLU A 124 5.048 -1.208 5.524 1.00 62.14 H new ATOM 0 HB2 GLU A 124 3.996 1.604 5.978 1.00 32.53 H new ATOM 0 HB3 GLU A 124 3.658 0.175 6.934 1.00 32.53 H new ATOM 0 HG2 GLU A 124 6.286 0.160 7.285 1.00 23.14 H new ATOM 0 HG3 GLU A 124 6.152 1.850 6.843 1.00 23.14 H new TER 1929 GLU A 124