USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 945 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 119 HIS : no HD1:sc= 0.0133! C(o=2.2!,f=-6.9!) USER MOD Set 1.2: A 131 HIS : no HE2:sc= 0.944! C(o=2.2!,f=-12!) USER MOD Set 1.3: A 141 SER OG : rot 108:sc= 1.22 USER MOD Set 2.1: A 134 THR OG1 : rot 180:sc= -0.0463 USER MOD Set 2.2: A 135 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 123 TYR OH : rot 180:sc= 0.319 USER MOD Set 3.2: A 127 ASN : amide:sc= -1.58! C(o=-1.3!,f=-5.1!) USER MOD Set 3.3: A 144 ASN : amide:sc= 0 K(o=-1.3,f=-1.8) USER MOD Set 4.1: A 47 GLN : amide:sc= 0.48 K(o=1.1,f=-9.1) USER MOD Set 4.2: A 79 GLN : amide:sc= 0.581! C(o=1.1!,f=-9.1!) USER MOD Set 5.1: A 56 TYR OH : rot 158:sc= 0.91 USER MOD Set 5.2: A 68 CYS SG : rot -34:sc= 0.898! USER MOD Set 6.1: A 41 LYS NZ :NH3+ 139:sc= 1.06 (180deg=0) USER MOD Set 6.2: A 126 ASN : amide:sc= 0.867 K(o=1.9,f=-7.3!) USER MOD Single : A 42 SER OG : rot 65:sc= 0.691 USER MOD Single : A 45 MET CE :methyl 147:sc= -1.21 (180deg=-3.99!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= -1.59! (180deg=-3.51!) USER MOD Single : A 61 SER OG : rot 39:sc= 0.48 USER MOD Single : A 62 THR OG1 : rot 147:sc= -0.957 USER MOD Single : A 63 LYS NZ :NH3+ -122:sc= 0.417 (180deg=-0.0925) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0493 (180deg=-0.34) USER MOD Single : A 69 SER OG : rot -57:sc= 0.606 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.904 F(o=-1.6,f=-0.9) USER MOD Single : A 75 THR OG1 : rot 79:sc= 0.631 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 177:sc= 0.353 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0.397 K(o=0.4,f=-3.2!) USER MOD Single : A 92 GLN : amide:sc= 0.812 K(o=0.81,f=-9!) USER MOD Single : A 94 MET CE :methyl -162:sc= -0.0678 (180deg=-0.454) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.0285 (180deg=-0.195) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.08 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN :FLIP amide:sc=-0.00688 F(o=-0.97,f=-0.0069) USER MOD Single : A 133 SER OG : rot -68:sc= -0.369 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 143 MET CE :methyl 171:sc= -0.456 (180deg=-0.607) USER MOD Single : A 147 TYR OH : rot -99:sc= 0.863 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 153 ASN :FLIP amide:sc=-0.00615 F(o=-1.5,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -9.465 -14.316 3.253 1.00 10.33 N ATOM 51 CA ASP A 39 -8.961 -13.656 2.042 1.00 4.42 C ATOM 52 C ASP A 39 -8.297 -12.311 2.377 1.00 32.34 C ATOM 53 O ASP A 39 -8.860 -11.492 3.106 1.00 40.23 O ATOM 54 CB ASP A 39 -10.098 -13.449 1.034 1.00 73.23 C ATOM 55 CG ASP A 39 -9.658 -12.652 -0.183 1.00 24.12 C ATOM 56 OD1 ASP A 39 -8.767 -13.124 -0.920 1.00 41.23 O ATOM 57 OD2 ASP A 39 -10.186 -11.541 -0.396 1.00 71.44 O ATOM 0 HA ASP A 39 -8.206 -14.304 1.596 1.00 4.42 H new ATOM 0 HB2 ASP A 39 -10.475 -14.420 0.712 1.00 73.23 H new ATOM 0 HB3 ASP A 39 -10.924 -12.933 1.523 1.00 73.23 H new ATOM 62 N VAL A 40 -7.108 -12.087 1.820 1.00 41.11 N ATOM 63 CA VAL A 40 -6.349 -10.859 2.066 1.00 61.42 C ATOM 64 C VAL A 40 -7.108 -9.611 1.582 1.00 75.02 C ATOM 65 O VAL A 40 -7.272 -8.641 2.327 1.00 51.51 O ATOM 66 CB VAL A 40 -4.965 -10.919 1.369 1.00 43.12 C ATOM 67 CG1 VAL A 40 -4.180 -9.630 1.598 1.00 12.44 C ATOM 68 CG2 VAL A 40 -4.169 -12.133 1.849 1.00 52.32 C ATOM 0 H VAL A 40 -6.646 -12.744 1.191 1.00 41.11 H new ATOM 0 HA VAL A 40 -6.211 -10.782 3.145 1.00 61.42 H new ATOM 0 HB VAL A 40 -5.132 -11.024 0.297 1.00 43.12 H new ATOM 0 HG11 VAL A 40 -3.214 -9.699 1.099 1.00 12.44 H new ATOM 0 HG12 VAL A 40 -4.739 -8.787 1.192 1.00 12.44 H new ATOM 0 HG13 VAL A 40 -4.026 -9.483 2.667 1.00 12.44 H new ATOM 0 HG21 VAL A 40 -3.202 -12.155 1.347 1.00 52.32 H new ATOM 0 HG22 VAL A 40 -4.017 -12.066 2.926 1.00 52.32 H new ATOM 0 HG23 VAL A 40 -4.720 -13.044 1.616 1.00 52.32 H new ATOM 78 N LYS A 41 -7.593 -9.658 0.342 1.00 54.55 N ATOM 79 CA LYS A 41 -8.279 -8.514 -0.276 1.00 75.03 C ATOM 80 C LYS A 41 -9.487 -8.065 0.558 1.00 62.02 C ATOM 81 O LYS A 41 -9.685 -6.871 0.794 1.00 74.23 O ATOM 82 CB LYS A 41 -8.719 -8.876 -1.704 1.00 71.25 C ATOM 83 CG LYS A 41 -9.285 -7.709 -2.511 1.00 14.12 C ATOM 84 CD LYS A 41 -9.588 -8.121 -3.955 1.00 53.24 C ATOM 85 CE LYS A 41 -10.069 -6.946 -4.802 1.00 2.44 C ATOM 86 NZ LYS A 41 -10.376 -7.359 -6.201 1.00 33.10 N ATOM 0 H LYS A 41 -7.525 -10.478 -0.260 1.00 54.55 H new ATOM 0 HA LYS A 41 -7.578 -7.680 -0.316 1.00 75.03 H new ATOM 0 HB2 LYS A 41 -7.864 -9.290 -2.239 1.00 71.25 H new ATOM 0 HB3 LYS A 41 -9.472 -9.662 -1.650 1.00 71.25 H new ATOM 0 HG2 LYS A 41 -10.196 -7.345 -2.036 1.00 14.12 H new ATOM 0 HG3 LYS A 41 -8.573 -6.884 -2.509 1.00 14.12 H new ATOM 0 HD2 LYS A 41 -8.692 -8.548 -4.405 1.00 53.24 H new ATOM 0 HD3 LYS A 41 -10.348 -8.902 -3.956 1.00 53.24 H new ATOM 0 HE2 LYS A 41 -10.960 -6.512 -4.348 1.00 2.44 H new ATOM 0 HE3 LYS A 41 -9.305 -6.169 -4.812 1.00 2.44 H new ATOM 0 HZ1 LYS A 41 -11.245 -6.885 -6.520 1.00 33.10 H new ATOM 0 HZ2 LYS A 41 -9.587 -7.091 -6.823 1.00 33.10 H new ATOM 0 HZ3 LYS A 41 -10.511 -8.390 -6.237 1.00 33.10 H new ATOM 100 N SER A 42 -10.282 -9.031 1.010 1.00 31.20 N ATOM 101 CA SER A 42 -11.468 -8.750 1.836 1.00 3.33 C ATOM 102 C SER A 42 -11.088 -8.033 3.146 1.00 74.21 C ATOM 103 O SER A 42 -11.726 -7.055 3.536 1.00 74.30 O ATOM 104 CB SER A 42 -12.221 -10.050 2.150 1.00 50.12 C ATOM 105 OG SER A 42 -12.634 -10.710 0.959 1.00 10.41 O ATOM 0 H SER A 42 -10.131 -10.022 0.821 1.00 31.20 H new ATOM 0 HA SER A 42 -12.118 -8.087 1.265 1.00 3.33 H new ATOM 0 HB2 SER A 42 -11.580 -10.712 2.732 1.00 50.12 H new ATOM 0 HB3 SER A 42 -13.092 -9.828 2.766 1.00 50.12 H new ATOM 0 HG SER A 42 -11.845 -10.996 0.453 1.00 10.41 H new ATOM 111 N ARG A 43 -10.040 -8.519 3.817 1.00 45.44 N ATOM 112 CA ARG A 43 -9.559 -7.891 5.057 1.00 11.33 C ATOM 113 C ARG A 43 -9.106 -6.443 4.805 1.00 1.42 C ATOM 114 O ARG A 43 -9.416 -5.535 5.580 1.00 45.35 O ATOM 115 CB ARG A 43 -8.398 -8.700 5.657 1.00 42.45 C ATOM 116 CG ARG A 43 -8.767 -10.128 6.060 1.00 13.22 C ATOM 117 CD ARG A 43 -9.811 -10.165 7.176 1.00 13.35 C ATOM 118 NE ARG A 43 -9.373 -9.445 8.374 1.00 75.32 N ATOM 119 CZ ARG A 43 -9.152 -10.005 9.537 1.00 64.03 C ATOM 120 NH1 ARG A 43 -9.285 -11.284 9.692 1.00 13.54 N ATOM 121 NH2 ARG A 43 -8.806 -9.274 10.548 1.00 52.11 N ATOM 0 H ARG A 43 -9.509 -9.340 3.527 1.00 45.44 H new ATOM 0 HA ARG A 43 -10.388 -7.877 5.764 1.00 11.33 H new ATOM 0 HB2 ARG A 43 -7.585 -8.738 4.932 1.00 42.45 H new ATOM 0 HB3 ARG A 43 -8.019 -8.174 6.533 1.00 42.45 H new ATOM 0 HG2 ARG A 43 -9.150 -10.661 5.190 1.00 13.22 H new ATOM 0 HG3 ARG A 43 -7.870 -10.654 6.387 1.00 13.22 H new ATOM 0 HD2 ARG A 43 -10.742 -9.729 6.814 1.00 13.35 H new ATOM 0 HD3 ARG A 43 -10.024 -11.202 7.436 1.00 13.35 H new ATOM 0 HE ARG A 43 -9.230 -8.438 8.297 1.00 75.32 H new ATOM 0 HH11 ARG A 43 -9.565 -11.867 8.903 1.00 13.54 H new ATOM 0 HH12 ARG A 43 -9.110 -11.708 10.603 1.00 13.54 H new ATOM 0 HH21 ARG A 43 -8.706 -8.265 10.437 1.00 52.11 H new ATOM 0 HH22 ARG A 43 -8.633 -9.707 11.455 1.00 52.11 H new ATOM 135 N ILE A 44 -8.374 -6.233 3.710 1.00 14.51 N ATOM 136 CA ILE A 44 -7.898 -4.896 3.340 1.00 72.51 C ATOM 137 C ILE A 44 -9.070 -3.945 3.048 1.00 15.32 C ATOM 138 O ILE A 44 -9.115 -2.820 3.549 1.00 33.20 O ATOM 139 CB ILE A 44 -6.970 -4.956 2.100 1.00 11.42 C ATOM 140 CG1 ILE A 44 -5.781 -5.901 2.358 1.00 72.32 C ATOM 141 CG2 ILE A 44 -6.474 -3.557 1.728 1.00 24.20 C ATOM 142 CD1 ILE A 44 -4.918 -6.145 1.138 1.00 63.21 C ATOM 0 H ILE A 44 -8.097 -6.971 3.063 1.00 14.51 H new ATOM 0 HA ILE A 44 -7.335 -4.513 4.191 1.00 72.51 H new ATOM 0 HB ILE A 44 -7.545 -5.349 1.262 1.00 11.42 H new ATOM 0 HG12 ILE A 44 -5.162 -5.482 3.152 1.00 72.32 H new ATOM 0 HG13 ILE A 44 -6.160 -6.857 2.720 1.00 72.32 H new ATOM 0 HG21 ILE A 44 -5.824 -3.621 0.855 1.00 24.20 H new ATOM 0 HG22 ILE A 44 -7.327 -2.918 1.499 1.00 24.20 H new ATOM 0 HG23 ILE A 44 -5.917 -3.134 2.564 1.00 24.20 H new ATOM 0 HD11 ILE A 44 -4.102 -6.819 1.398 1.00 63.21 H new ATOM 0 HD12 ILE A 44 -5.522 -6.593 0.349 1.00 63.21 H new ATOM 0 HD13 ILE A 44 -4.508 -5.198 0.787 1.00 63.21 H new ATOM 154 N MET A 45 -10.025 -4.411 2.242 1.00 11.40 N ATOM 155 CA MET A 45 -11.204 -3.606 1.891 1.00 14.14 C ATOM 156 C MET A 45 -12.052 -3.277 3.131 1.00 2.40 C ATOM 157 O MET A 45 -12.719 -2.241 3.180 1.00 15.01 O ATOM 158 CB MET A 45 -12.064 -4.332 0.845 1.00 72.22 C ATOM 159 CG MET A 45 -11.370 -4.575 -0.497 1.00 2.42 C ATOM 160 SD MET A 45 -11.026 -3.059 -1.424 1.00 74.14 S ATOM 161 CE MET A 45 -9.445 -2.547 -0.748 1.00 75.23 C ATOM 0 H MET A 45 -10.009 -5.339 1.819 1.00 11.40 H new ATOM 0 HA MET A 45 -10.844 -2.668 1.467 1.00 14.14 H new ATOM 0 HB2 MET A 45 -12.378 -5.292 1.255 1.00 72.22 H new ATOM 0 HB3 MET A 45 -12.968 -3.749 0.670 1.00 72.22 H new ATOM 0 HG2 MET A 45 -10.433 -5.103 -0.321 1.00 2.42 H new ATOM 0 HG3 MET A 45 -11.995 -5.229 -1.106 1.00 2.42 H new ATOM 0 HE1 MET A 45 -8.858 -2.058 -1.525 1.00 75.23 H new ATOM 0 HE2 MET A 45 -9.609 -1.851 0.075 1.00 75.23 H new ATOM 0 HE3 MET A 45 -8.906 -3.421 -0.382 1.00 75.23 H new ATOM 171 N ASP A 46 -12.026 -4.158 4.130 1.00 63.31 N ATOM 172 CA ASP A 46 -12.735 -3.914 5.388 1.00 33.32 C ATOM 173 C ASP A 46 -12.086 -2.760 6.178 1.00 13.24 C ATOM 174 O ASP A 46 -12.783 -1.943 6.784 1.00 72.32 O ATOM 175 CB ASP A 46 -12.776 -5.193 6.237 1.00 70.23 C ATOM 176 CG ASP A 46 -13.509 -4.995 7.556 1.00 33.33 C ATOM 177 OD1 ASP A 46 -14.725 -4.704 7.530 1.00 44.42 O ATOM 178 OD2 ASP A 46 -12.870 -5.113 8.623 1.00 43.31 O ATOM 0 H ASP A 46 -11.524 -5.045 4.094 1.00 63.31 H new ATOM 0 HA ASP A 46 -13.757 -3.622 5.148 1.00 33.32 H new ATOM 0 HB2 ASP A 46 -13.263 -5.986 5.670 1.00 70.23 H new ATOM 0 HB3 ASP A 46 -11.757 -5.525 6.438 1.00 70.23 H new ATOM 183 N GLN A 47 -10.752 -2.691 6.165 1.00 42.33 N ATOM 184 CA GLN A 47 -10.037 -1.602 6.845 1.00 5.01 C ATOM 185 C GLN A 47 -10.083 -0.300 6.027 1.00 12.55 C ATOM 186 O GLN A 47 -10.085 0.794 6.591 1.00 31.41 O ATOM 187 CB GLN A 47 -8.571 -1.980 7.119 1.00 4.41 C ATOM 188 CG GLN A 47 -7.837 -0.946 7.975 1.00 52.13 C ATOM 189 CD GLN A 47 -8.400 -0.851 9.388 1.00 11.21 C ATOM 190 OE1 GLN A 47 -8.829 -1.848 9.962 1.00 22.33 O ATOM 191 NE2 GLN A 47 -8.459 0.347 9.941 1.00 60.22 N ATOM 0 H GLN A 47 -10.149 -3.367 5.697 1.00 42.33 H new ATOM 0 HA GLN A 47 -10.545 -1.439 7.795 1.00 5.01 H new ATOM 0 HB2 GLN A 47 -8.539 -2.947 7.620 1.00 4.41 H new ATOM 0 HB3 GLN A 47 -8.048 -2.095 6.170 1.00 4.41 H new ATOM 0 HG2 GLN A 47 -6.780 -1.206 8.026 1.00 52.13 H new ATOM 0 HG3 GLN A 47 -7.903 0.030 7.495 1.00 52.13 H new ATOM 0 HE21 GLN A 47 -8.095 1.158 9.441 1.00 60.22 H new ATOM 0 HE22 GLN A 47 -8.869 0.461 10.868 1.00 60.22 H new ATOM 200 N TYR A 48 -10.112 -0.421 4.699 1.00 74.10 N ATOM 201 CA TYR A 48 -10.193 0.748 3.810 1.00 74.34 C ATOM 202 C TYR A 48 -11.383 1.653 4.183 1.00 72.21 C ATOM 203 O TYR A 48 -11.283 2.879 4.133 1.00 52.12 O ATOM 204 CB TYR A 48 -10.304 0.289 2.346 1.00 31.44 C ATOM 205 CG TYR A 48 -10.415 1.419 1.333 1.00 74.21 C ATOM 206 CD1 TYR A 48 -9.600 2.545 1.412 1.00 0.45 C ATOM 207 CD2 TYR A 48 -11.337 1.352 0.290 1.00 64.21 C ATOM 208 CE1 TYR A 48 -9.700 3.566 0.485 1.00 41.21 C ATOM 209 CE2 TYR A 48 -11.439 2.368 -0.641 1.00 12.10 C ATOM 210 CZ TYR A 48 -10.619 3.472 -0.540 1.00 44.45 C ATOM 211 OH TYR A 48 -10.715 4.486 -1.468 1.00 2.35 O ATOM 0 H TYR A 48 -10.081 -1.316 4.211 1.00 74.10 H new ATOM 0 HA TYR A 48 -9.281 1.332 3.932 1.00 74.34 H new ATOM 0 HB2 TYR A 48 -9.431 -0.316 2.102 1.00 31.44 H new ATOM 0 HB3 TYR A 48 -11.176 -0.357 2.247 1.00 31.44 H new ATOM 0 HD1 TYR A 48 -8.877 2.622 2.211 1.00 0.45 H new ATOM 0 HD2 TYR A 48 -11.983 0.491 0.208 1.00 64.21 H new ATOM 0 HE1 TYR A 48 -9.061 4.434 0.563 1.00 41.21 H new ATOM 0 HE2 TYR A 48 -12.158 2.298 -1.444 1.00 12.10 H new ATOM 0 HH TYR A 48 -11.409 4.265 -2.124 1.00 2.35 H new ATOM 221 N ALA A 49 -12.497 1.036 4.576 1.00 23.53 N ATOM 222 CA ALA A 49 -13.692 1.772 5.008 1.00 61.02 C ATOM 223 C ALA A 49 -13.411 2.670 6.227 1.00 25.33 C ATOM 224 O ALA A 49 -14.112 3.658 6.458 1.00 4.43 O ATOM 225 CB ALA A 49 -14.818 0.796 5.322 1.00 3.34 C ATOM 0 H ALA A 49 -12.600 0.022 4.605 1.00 23.53 H new ATOM 0 HA ALA A 49 -13.992 2.424 4.187 1.00 61.02 H new ATOM 0 HB1 ALA A 49 -15.701 1.350 5.642 1.00 3.34 H new ATOM 0 HB2 ALA A 49 -15.056 0.216 4.430 1.00 3.34 H new ATOM 0 HB3 ALA A 49 -14.504 0.122 6.119 1.00 3.34 H new ATOM 231 N ASP A 50 -12.388 2.319 7.003 1.00 32.10 N ATOM 232 CA ASP A 50 -12.000 3.094 8.185 1.00 44.23 C ATOM 233 C ASP A 50 -11.246 4.372 7.797 1.00 72.31 C ATOM 234 O ASP A 50 -11.550 5.462 8.283 1.00 2.50 O ATOM 235 CB ASP A 50 -11.118 2.236 9.101 1.00 14.22 C ATOM 236 CG ASP A 50 -10.732 2.949 10.383 1.00 72.41 C ATOM 237 OD1 ASP A 50 -11.636 3.314 11.167 1.00 71.53 O ATOM 238 OD2 ASP A 50 -9.526 3.141 10.626 1.00 42.32 O ATOM 0 H ASP A 50 -11.808 1.497 6.835 1.00 32.10 H new ATOM 0 HA ASP A 50 -12.910 3.383 8.710 1.00 44.23 H new ATOM 0 HB2 ASP A 50 -11.646 1.315 9.348 1.00 14.22 H new ATOM 0 HB3 ASP A 50 -10.214 1.950 8.563 1.00 14.22 H new ATOM 243 N TRP A 51 -10.274 4.231 6.901 1.00 40.30 N ATOM 244 CA TRP A 51 -9.369 5.331 6.547 1.00 1.42 C ATOM 245 C TRP A 51 -9.937 6.251 5.445 1.00 74.15 C ATOM 246 O TRP A 51 -9.207 7.049 4.853 1.00 63.25 O ATOM 247 CB TRP A 51 -8.011 4.755 6.127 1.00 3.14 C ATOM 248 CG TRP A 51 -7.293 4.053 7.248 1.00 23.44 C ATOM 249 CD1 TRP A 51 -7.405 2.738 7.612 1.00 0.14 C ATOM 250 CD2 TRP A 51 -6.362 4.642 8.164 1.00 2.53 C ATOM 251 NE1 TRP A 51 -6.577 2.474 8.681 1.00 0.01 N ATOM 252 CE2 TRP A 51 -5.933 3.628 9.039 1.00 50.15 C ATOM 253 CE3 TRP A 51 -5.846 5.930 8.322 1.00 51.05 C ATOM 254 CZ2 TRP A 51 -5.010 3.863 10.059 1.00 24.23 C ATOM 255 CZ3 TRP A 51 -4.933 6.164 9.334 1.00 75.33 C ATOM 256 CH2 TRP A 51 -4.524 5.135 10.191 1.00 30.15 C ATOM 0 H TRP A 51 -10.088 3.361 6.401 1.00 40.30 H new ATOM 0 HA TRP A 51 -9.252 5.958 7.431 1.00 1.42 H new ATOM 0 HB2 TRP A 51 -8.159 4.055 5.304 1.00 3.14 H new ATOM 0 HB3 TRP A 51 -7.382 5.562 5.750 1.00 3.14 H new ATOM 0 HD1 TRP A 51 -8.047 2.015 7.132 1.00 0.14 H new ATOM 0 HE1 TRP A 51 -6.462 1.566 9.132 1.00 0.01 H new ATOM 0 HE3 TRP A 51 -6.155 6.730 7.665 1.00 51.05 H new ATOM 0 HZ2 TRP A 51 -4.691 3.070 10.720 1.00 24.23 H new ATOM 0 HZ3 TRP A 51 -4.529 7.157 9.465 1.00 75.33 H new ATOM 0 HH2 TRP A 51 -3.810 5.350 10.972 1.00 30.15 H new ATOM 267 N LYS A 52 -11.242 6.162 5.192 1.00 2.23 N ATOM 268 CA LYS A 52 -11.901 7.047 4.224 1.00 53.34 C ATOM 269 C LYS A 52 -11.945 8.494 4.743 1.00 54.44 C ATOM 270 O LYS A 52 -12.545 8.773 5.786 1.00 63.34 O ATOM 271 CB LYS A 52 -13.329 6.557 3.928 1.00 73.42 C ATOM 272 CG LYS A 52 -13.394 5.127 3.397 1.00 75.34 C ATOM 273 CD LYS A 52 -12.663 4.955 2.062 1.00 64.13 C ATOM 274 CE LYS A 52 -13.465 5.481 0.871 1.00 62.13 C ATOM 275 NZ LYS A 52 -13.664 6.955 0.906 1.00 73.11 N ATOM 0 H LYS A 52 -11.865 5.490 5.640 1.00 2.23 H new ATOM 0 HA LYS A 52 -11.319 7.025 3.302 1.00 53.34 H new ATOM 0 HB2 LYS A 52 -13.922 6.623 4.840 1.00 73.42 H new ATOM 0 HB3 LYS A 52 -13.789 7.226 3.200 1.00 73.42 H new ATOM 0 HG2 LYS A 52 -12.960 4.451 4.133 1.00 75.34 H new ATOM 0 HG3 LYS A 52 -14.438 4.837 3.274 1.00 75.34 H new ATOM 0 HD2 LYS A 52 -11.707 5.476 2.108 1.00 64.13 H new ATOM 0 HD3 LYS A 52 -12.444 3.899 1.907 1.00 64.13 H new ATOM 0 HE2 LYS A 52 -12.952 5.212 -0.052 1.00 62.13 H new ATOM 0 HE3 LYS A 52 -14.438 4.990 0.850 1.00 62.13 H new ATOM 0 HZ1 LYS A 52 -13.629 7.333 -0.062 1.00 73.11 H new ATOM 0 HZ2 LYS A 52 -14.590 7.170 1.328 1.00 73.11 H new ATOM 0 HZ3 LYS A 52 -12.913 7.393 1.476 1.00 73.11 H new ATOM 289 N GLY A 53 -11.303 9.408 4.018 1.00 61.13 N ATOM 290 CA GLY A 53 -11.276 10.814 4.419 1.00 62.43 C ATOM 291 C GLY A 53 -9.951 11.243 5.046 1.00 23.20 C ATOM 292 O GLY A 53 -9.781 12.407 5.422 1.00 53.23 O ATOM 0 H GLY A 53 -10.798 9.203 3.156 1.00 61.13 H new ATOM 0 HA2 GLY A 53 -11.474 11.436 3.546 1.00 62.43 H new ATOM 0 HA3 GLY A 53 -12.081 10.996 5.130 1.00 62.43 H new ATOM 296 N VAL A 54 -9.010 10.310 5.162 1.00 31.34 N ATOM 297 CA VAL A 54 -7.702 10.599 5.761 1.00 74.24 C ATOM 298 C VAL A 54 -6.712 11.165 4.724 1.00 13.35 C ATOM 299 O VAL A 54 -6.526 10.596 3.644 1.00 3.43 O ATOM 300 CB VAL A 54 -7.098 9.334 6.419 1.00 70.50 C ATOM 301 CG1 VAL A 54 -5.751 9.645 7.074 1.00 30.34 C ATOM 302 CG2 VAL A 54 -8.076 8.743 7.435 1.00 34.24 C ATOM 0 H VAL A 54 -9.125 9.346 4.850 1.00 31.34 H new ATOM 0 HA VAL A 54 -7.867 11.355 6.528 1.00 74.24 H new ATOM 0 HB VAL A 54 -6.924 8.593 5.639 1.00 70.50 H new ATOM 0 HG11 VAL A 54 -5.350 8.739 7.528 1.00 30.34 H new ATOM 0 HG12 VAL A 54 -5.055 10.011 6.319 1.00 30.34 H new ATOM 0 HG13 VAL A 54 -5.887 10.406 7.842 1.00 30.34 H new ATOM 0 HG21 VAL A 54 -7.637 7.855 7.889 1.00 34.24 H new ATOM 0 HG22 VAL A 54 -8.285 9.480 8.210 1.00 34.24 H new ATOM 0 HG23 VAL A 54 -9.004 8.472 6.932 1.00 34.24 H new ATOM 312 N ARG A 55 -6.091 12.294 5.067 1.00 11.12 N ATOM 313 CA ARG A 55 -5.117 12.963 4.191 1.00 51.41 C ATOM 314 C ARG A 55 -3.688 12.426 4.416 1.00 22.23 C ATOM 315 O ARG A 55 -3.469 11.559 5.263 1.00 75.14 O ATOM 316 CB ARG A 55 -5.166 14.473 4.456 1.00 24.01 C ATOM 317 CG ARG A 55 -6.540 15.091 4.198 1.00 25.12 C ATOM 318 CD ARG A 55 -6.664 16.485 4.807 1.00 31.40 C ATOM 319 NE ARG A 55 -6.508 16.459 6.263 1.00 3.14 N ATOM 320 CZ ARG A 55 -6.153 17.489 6.985 1.00 42.25 C ATOM 321 NH1 ARG A 55 -5.983 18.649 6.437 1.00 13.11 N ATOM 322 NH2 ARG A 55 -5.996 17.361 8.263 1.00 0.24 N ATOM 0 H ARG A 55 -6.245 12.772 5.955 1.00 11.12 H new ATOM 0 HA ARG A 55 -5.380 12.757 3.154 1.00 51.41 H new ATOM 0 HB2 ARG A 55 -4.879 14.662 5.490 1.00 24.01 H new ATOM 0 HB3 ARG A 55 -4.429 14.969 3.825 1.00 24.01 H new ATOM 0 HG2 ARG A 55 -6.716 15.148 3.124 1.00 25.12 H new ATOM 0 HG3 ARG A 55 -7.312 14.444 4.614 1.00 25.12 H new ATOM 0 HD2 ARG A 55 -5.909 17.140 4.372 1.00 31.40 H new ATOM 0 HD3 ARG A 55 -7.636 16.907 4.553 1.00 31.40 H new ATOM 0 HE ARG A 55 -6.688 15.579 6.746 1.00 3.14 H new ATOM 0 HH11 ARG A 55 -6.126 18.765 5.434 1.00 13.11 H new ATOM 0 HH12 ARG A 55 -5.706 19.447 7.008 1.00 13.11 H new ATOM 0 HH21 ARG A 55 -6.149 16.456 8.708 1.00 0.24 H new ATOM 0 HH22 ARG A 55 -5.719 18.165 8.826 1.00 0.24 H new ATOM 336 N TYR A 56 -2.715 12.948 3.666 1.00 54.22 N ATOM 337 CA TYR A 56 -1.322 12.492 3.785 1.00 13.21 C ATOM 338 C TYR A 56 -0.543 13.342 4.805 1.00 75.21 C ATOM 339 O TYR A 56 -0.596 14.575 4.780 1.00 71.52 O ATOM 340 CB TYR A 56 -0.622 12.550 2.415 1.00 15.35 C ATOM 341 CG TYR A 56 0.685 11.762 2.328 1.00 44.45 C ATOM 342 CD1 TYR A 56 1.780 12.073 3.131 1.00 14.04 C ATOM 343 CD2 TYR A 56 0.821 10.711 1.429 1.00 74.31 C ATOM 344 CE1 TYR A 56 2.961 11.358 3.042 1.00 51.24 C ATOM 345 CE2 TYR A 56 2.001 9.997 1.333 1.00 30.53 C ATOM 346 CZ TYR A 56 3.066 10.325 2.140 1.00 2.44 C ATOM 347 OH TYR A 56 4.248 9.624 2.033 1.00 14.33 O ATOM 0 H TYR A 56 -2.861 13.682 2.973 1.00 54.22 H new ATOM 0 HA TYR A 56 -1.337 11.461 4.138 1.00 13.21 H new ATOM 0 HB2 TYR A 56 -1.308 12.173 1.656 1.00 15.35 H new ATOM 0 HB3 TYR A 56 -0.418 13.593 2.171 1.00 15.35 H new ATOM 0 HD1 TYR A 56 1.706 12.888 3.836 1.00 14.04 H new ATOM 0 HD2 TYR A 56 -0.011 10.447 0.793 1.00 74.31 H new ATOM 0 HE1 TYR A 56 3.797 11.610 3.678 1.00 51.24 H new ATOM 0 HE2 TYR A 56 2.087 9.184 0.627 1.00 30.53 H new ATOM 0 HH TYR A 56 4.071 8.742 1.645 1.00 14.33 H new ATOM 357 N ARG A 57 0.187 12.670 5.691 1.00 41.14 N ATOM 358 CA ARG A 57 1.068 13.334 6.661 1.00 15.43 C ATOM 359 C ARG A 57 2.432 12.633 6.704 1.00 0.11 C ATOM 360 O ARG A 57 2.531 11.482 7.127 1.00 31.50 O ATOM 361 CB ARG A 57 0.422 13.335 8.054 1.00 71.44 C ATOM 362 CG ARG A 57 1.285 13.951 9.156 1.00 13.44 C ATOM 363 CD ARG A 57 0.542 13.997 10.489 1.00 1.34 C ATOM 364 NE ARG A 57 1.376 14.519 11.572 1.00 64.52 N ATOM 365 CZ ARG A 57 0.912 14.968 12.707 1.00 44.34 C ATOM 366 NH1 ARG A 57 -0.363 15.076 12.906 1.00 4.15 N ATOM 367 NH2 ARG A 57 1.735 15.337 13.637 1.00 45.03 N ATOM 0 H ARG A 57 0.188 11.652 5.761 1.00 41.14 H new ATOM 0 HA ARG A 57 1.217 14.367 6.348 1.00 15.43 H new ATOM 0 HB2 ARG A 57 -0.521 13.879 8.002 1.00 71.44 H new ATOM 0 HB3 ARG A 57 0.183 12.308 8.330 1.00 71.44 H new ATOM 0 HG2 ARG A 57 2.201 13.371 9.269 1.00 13.44 H new ATOM 0 HG3 ARG A 57 1.580 14.960 8.868 1.00 13.44 H new ATOM 0 HD2 ARG A 57 -0.347 14.619 10.386 1.00 1.34 H new ATOM 0 HD3 ARG A 57 0.201 12.994 10.747 1.00 1.34 H new ATOM 0 HE ARG A 57 2.386 14.533 11.431 1.00 64.52 H new ATOM 0 HH11 ARG A 57 -1.018 14.809 12.171 1.00 4.15 H new ATOM 0 HH12 ARG A 57 -0.712 15.428 13.797 1.00 4.15 H new ATOM 0 HH21 ARG A 57 2.741 15.276 13.481 1.00 45.03 H new ATOM 0 HH22 ARG A 57 1.377 15.688 14.525 1.00 45.03 H new ATOM 381 N LEU A 58 3.478 13.335 6.263 1.00 61.22 N ATOM 382 CA LEU A 58 4.825 12.754 6.159 1.00 74.23 C ATOM 383 C LEU A 58 5.322 12.222 7.515 1.00 33.11 C ATOM 384 O LEU A 58 5.524 12.987 8.460 1.00 54.01 O ATOM 385 CB LEU A 58 5.828 13.783 5.600 1.00 0.14 C ATOM 386 CG LEU A 58 5.659 14.152 4.111 1.00 41.51 C ATOM 387 CD1 LEU A 58 4.361 14.922 3.871 1.00 31.13 C ATOM 388 CD2 LEU A 58 6.863 14.955 3.616 1.00 43.33 C ATOM 0 H LEU A 58 3.421 14.310 5.970 1.00 61.22 H new ATOM 0 HA LEU A 58 4.758 11.914 5.468 1.00 74.23 H new ATOM 0 HB2 LEU A 58 5.750 14.695 6.191 1.00 0.14 H new ATOM 0 HB3 LEU A 58 6.836 13.394 5.746 1.00 0.14 H new ATOM 0 HG LEU A 58 5.603 13.224 3.542 1.00 41.51 H new ATOM 0 HD11 LEU A 58 4.273 15.166 2.812 1.00 31.13 H new ATOM 0 HD12 LEU A 58 3.513 14.308 4.173 1.00 31.13 H new ATOM 0 HD13 LEU A 58 4.370 15.842 4.456 1.00 31.13 H new ATOM 0 HD21 LEU A 58 6.725 15.206 2.564 1.00 43.33 H new ATOM 0 HD22 LEU A 58 6.953 15.872 4.199 1.00 43.33 H new ATOM 0 HD23 LEU A 58 7.769 14.361 3.732 1.00 43.33 H new ATOM 400 N GLY A 59 5.514 10.907 7.594 1.00 54.10 N ATOM 401 CA GLY A 59 5.965 10.276 8.833 1.00 33.22 C ATOM 402 C GLY A 59 4.915 10.292 9.949 1.00 24.53 C ATOM 403 O GLY A 59 5.249 10.131 11.128 1.00 5.34 O ATOM 0 H GLY A 59 5.365 10.260 6.819 1.00 54.10 H new ATOM 0 HA2 GLY A 59 6.245 9.243 8.624 1.00 33.22 H new ATOM 0 HA3 GLY A 59 6.863 10.785 9.184 1.00 33.22 H new ATOM 407 N GLY A 60 3.651 10.479 9.578 1.00 65.33 N ATOM 408 CA GLY A 60 2.567 10.520 10.557 1.00 14.23 C ATOM 409 C GLY A 60 1.625 9.326 10.449 1.00 51.14 C ATOM 410 O GLY A 60 1.364 8.824 9.353 1.00 42.02 O ATOM 0 H GLY A 60 3.352 10.604 8.611 1.00 65.33 H new ATOM 0 HA2 GLY A 60 2.991 10.552 11.560 1.00 14.23 H new ATOM 0 HA3 GLY A 60 1.997 11.439 10.422 1.00 14.23 H new ATOM 414 N SER A 61 1.128 8.850 11.590 1.00 22.22 N ATOM 415 CA SER A 61 0.158 7.746 11.619 1.00 0.35 C ATOM 416 C SER A 61 -1.092 8.126 12.425 1.00 12.43 C ATOM 417 O SER A 61 -1.088 8.073 13.655 1.00 2.42 O ATOM 418 CB SER A 61 0.804 6.476 12.202 1.00 3.31 C ATOM 419 OG SER A 61 1.338 6.706 13.499 1.00 61.33 O ATOM 0 H SER A 61 1.379 9.210 12.511 1.00 22.22 H new ATOM 0 HA SER A 61 -0.150 7.544 10.593 1.00 0.35 H new ATOM 0 HB2 SER A 61 0.062 5.679 12.250 1.00 3.31 H new ATOM 0 HB3 SER A 61 1.597 6.133 11.537 1.00 3.31 H new ATOM 0 HG SER A 61 0.734 7.292 14.002 1.00 61.33 H new ATOM 425 N THR A 62 -2.160 8.513 11.722 1.00 34.31 N ATOM 426 CA THR A 62 -3.433 8.893 12.361 1.00 62.54 C ATOM 427 C THR A 62 -4.524 9.175 11.323 1.00 33.45 C ATOM 428 O THR A 62 -4.237 9.353 10.139 1.00 70.15 O ATOM 429 CB THR A 62 -3.289 10.148 13.265 1.00 71.51 C ATOM 430 OG1 THR A 62 -4.581 10.564 13.743 1.00 12.32 O ATOM 431 CG2 THR A 62 -2.625 11.302 12.518 1.00 20.25 C ATOM 0 H THR A 62 -2.172 8.573 10.704 1.00 34.31 H new ATOM 0 HA THR A 62 -3.717 8.039 12.976 1.00 62.54 H new ATOM 0 HB THR A 62 -2.655 9.877 14.109 1.00 71.51 H new ATOM 0 HG1 THR A 62 -4.490 10.945 14.641 1.00 12.32 H new ATOM 0 HG21 THR A 62 -2.540 12.163 13.180 1.00 20.25 H new ATOM 0 HG22 THR A 62 -1.631 10.998 12.189 1.00 20.25 H new ATOM 0 HG23 THR A 62 -3.229 11.569 11.651 1.00 20.25 H new ATOM 439 N LYS A 63 -5.774 9.236 11.774 1.00 11.45 N ATOM 440 CA LYS A 63 -6.900 9.564 10.891 1.00 33.32 C ATOM 441 C LYS A 63 -6.909 11.066 10.546 1.00 11.31 C ATOM 442 O LYS A 63 -7.659 11.515 9.679 1.00 13.34 O ATOM 443 CB LYS A 63 -8.236 9.146 11.530 1.00 55.40 C ATOM 444 CG LYS A 63 -8.521 7.642 11.473 1.00 75.40 C ATOM 445 CD LYS A 63 -7.527 6.822 12.301 1.00 15.03 C ATOM 446 CE LYS A 63 -7.765 5.323 12.150 1.00 61.23 C ATOM 447 NZ LYS A 63 -9.124 4.921 12.599 1.00 44.03 N ATOM 0 H LYS A 63 -6.037 9.063 12.744 1.00 11.45 H new ATOM 0 HA LYS A 63 -6.775 9.004 9.964 1.00 33.32 H new ATOM 0 HB2 LYS A 63 -8.242 9.465 12.572 1.00 55.40 H new ATOM 0 HB3 LYS A 63 -9.046 9.676 11.029 1.00 55.40 H new ATOM 0 HG2 LYS A 63 -9.532 7.454 11.835 1.00 75.40 H new ATOM 0 HG3 LYS A 63 -8.486 7.308 10.436 1.00 75.40 H new ATOM 0 HD2 LYS A 63 -6.510 7.062 11.990 1.00 15.03 H new ATOM 0 HD3 LYS A 63 -7.613 7.100 13.352 1.00 15.03 H new ATOM 0 HE2 LYS A 63 -7.631 5.039 11.106 1.00 61.23 H new ATOM 0 HE3 LYS A 63 -7.018 4.778 12.727 1.00 61.23 H new ATOM 0 HZ1 LYS A 63 -9.044 4.209 13.353 1.00 44.03 H new ATOM 0 HZ2 LYS A 63 -9.631 5.754 12.961 1.00 44.03 H new ATOM 0 HZ3 LYS A 63 -9.649 4.518 11.797 1.00 44.03 H new ATOM 461 N LYS A 64 -6.064 11.832 11.237 1.00 1.42 N ATOM 462 CA LYS A 64 -5.873 13.260 10.937 1.00 70.33 C ATOM 463 C LYS A 64 -4.834 13.462 9.819 1.00 53.40 C ATOM 464 O LYS A 64 -4.551 14.591 9.412 1.00 4.31 O ATOM 465 CB LYS A 64 -5.424 14.025 12.197 1.00 53.11 C ATOM 466 CG LYS A 64 -6.500 14.186 13.275 1.00 61.45 C ATOM 467 CD LYS A 64 -6.922 12.853 13.894 1.00 0.23 C ATOM 468 CE LYS A 64 -7.822 13.058 15.108 1.00 43.04 C ATOM 469 NZ LYS A 64 -7.102 13.734 16.224 1.00 24.13 N ATOM 0 H LYS A 64 -5.497 11.490 12.012 1.00 1.42 H new ATOM 0 HA LYS A 64 -6.832 13.653 10.598 1.00 70.33 H new ATOM 0 HB2 LYS A 64 -4.569 13.507 12.633 1.00 53.11 H new ATOM 0 HB3 LYS A 64 -5.079 15.015 11.899 1.00 53.11 H new ATOM 0 HG2 LYS A 64 -6.126 14.844 14.060 1.00 61.45 H new ATOM 0 HG3 LYS A 64 -7.373 14.672 12.841 1.00 61.45 H new ATOM 0 HD2 LYS A 64 -7.446 12.255 13.149 1.00 0.23 H new ATOM 0 HD3 LYS A 64 -6.036 12.291 14.188 1.00 0.23 H new ATOM 0 HE2 LYS A 64 -8.689 13.654 14.821 1.00 43.04 H new ATOM 0 HE3 LYS A 64 -8.197 12.093 15.449 1.00 43.04 H new ATOM 0 HZ1 LYS A 64 -7.623 13.587 17.112 1.00 24.13 H new ATOM 0 HZ2 LYS A 64 -6.146 13.334 16.313 1.00 24.13 H new ATOM 0 HZ3 LYS A 64 -7.034 14.753 16.027 1.00 24.13 H new ATOM 483 N GLY A 65 -4.267 12.360 9.337 1.00 74.24 N ATOM 484 CA GLY A 65 -3.235 12.417 8.307 1.00 32.24 C ATOM 485 C GLY A 65 -2.202 11.306 8.469 1.00 43.22 C ATOM 486 O GLY A 65 -1.584 11.177 9.527 1.00 50.12 O ATOM 0 H GLY A 65 -4.505 11.417 9.643 1.00 74.24 H new ATOM 0 HA2 GLY A 65 -3.700 12.339 7.324 1.00 32.24 H new ATOM 0 HA3 GLY A 65 -2.735 13.385 8.348 1.00 32.24 H new ATOM 490 N ILE A 66 -2.003 10.501 7.429 1.00 21.41 N ATOM 491 CA ILE A 66 -1.077 9.368 7.509 1.00 22.44 C ATOM 492 C ILE A 66 -0.155 9.291 6.278 1.00 20.01 C ATOM 493 O ILE A 66 -0.519 9.717 5.184 1.00 30.22 O ATOM 494 CB ILE A 66 -1.857 8.036 7.681 1.00 34.43 C ATOM 495 CG1 ILE A 66 -0.899 6.885 8.023 1.00 44.41 C ATOM 496 CG2 ILE A 66 -2.667 7.713 6.424 1.00 42.14 C ATOM 497 CD1 ILE A 66 -1.605 5.604 8.410 1.00 53.20 C ATOM 0 H ILE A 66 -2.465 10.608 6.526 1.00 21.41 H new ATOM 0 HA ILE A 66 -0.447 9.526 8.384 1.00 22.44 H new ATOM 0 HB ILE A 66 -2.554 8.156 8.510 1.00 34.43 H new ATOM 0 HG12 ILE A 66 -0.257 6.691 7.164 1.00 44.41 H new ATOM 0 HG13 ILE A 66 -0.250 7.195 8.843 1.00 44.41 H new ATOM 0 HG21 ILE A 66 -3.205 6.776 6.568 1.00 42.14 H new ATOM 0 HG22 ILE A 66 -3.380 8.515 6.235 1.00 42.14 H new ATOM 0 HG23 ILE A 66 -1.994 7.618 5.572 1.00 42.14 H new ATOM 0 HD11 ILE A 66 -0.866 4.836 8.638 1.00 53.20 H new ATOM 0 HD12 ILE A 66 -2.226 5.782 9.288 1.00 53.20 H new ATOM 0 HD13 ILE A 66 -2.232 5.270 7.583 1.00 53.20 H new ATOM 509 N ASP A 67 1.053 8.775 6.479 1.00 13.12 N ATOM 510 CA ASP A 67 2.029 8.612 5.395 1.00 14.02 C ATOM 511 C ASP A 67 1.717 7.356 4.556 1.00 0.04 C ATOM 512 O ASP A 67 1.014 6.454 5.016 1.00 73.33 O ATOM 513 CB ASP A 67 3.437 8.517 5.999 1.00 4.45 C ATOM 514 CG ASP A 67 4.542 8.612 4.964 1.00 53.42 C ATOM 515 OD1 ASP A 67 4.815 7.601 4.282 1.00 42.04 O ATOM 516 OD2 ASP A 67 5.125 9.703 4.817 1.00 35.10 O ATOM 0 H ASP A 67 1.386 8.458 7.389 1.00 13.12 H new ATOM 0 HA ASP A 67 1.973 9.475 4.732 1.00 14.02 H new ATOM 0 HB2 ASP A 67 3.565 9.314 6.731 1.00 4.45 H new ATOM 0 HB3 ASP A 67 3.532 7.573 6.536 1.00 4.45 H new ATOM 521 N CYS A 68 2.254 7.294 3.335 1.00 3.55 N ATOM 522 CA CYS A 68 2.061 6.131 2.452 1.00 50.40 C ATOM 523 C CYS A 68 2.582 4.849 3.114 1.00 51.11 C ATOM 524 O CYS A 68 1.858 3.857 3.243 1.00 13.03 O ATOM 525 CB CYS A 68 2.779 6.349 1.112 1.00 55.40 C ATOM 526 SG CYS A 68 4.576 6.528 1.251 1.00 75.31 S ATOM 0 H CYS A 68 2.827 8.035 2.931 1.00 3.55 H new ATOM 0 HA CYS A 68 0.992 6.022 2.271 1.00 50.40 H new ATOM 0 HB2 CYS A 68 2.559 5.508 0.454 1.00 55.40 H new ATOM 0 HB3 CYS A 68 2.372 7.241 0.636 1.00 55.40 H new ATOM 0 HG CYS A 68 4.867 7.141 2.360 1.00 75.31 H new ATOM 532 N SER A 69 3.838 4.885 3.549 1.00 4.01 N ATOM 533 CA SER A 69 4.446 3.759 4.271 1.00 1.12 C ATOM 534 C SER A 69 3.729 3.516 5.606 1.00 21.44 C ATOM 535 O SER A 69 3.599 2.377 6.065 1.00 45.21 O ATOM 536 CB SER A 69 5.934 4.028 4.521 1.00 63.41 C ATOM 537 OG SER A 69 6.125 5.184 5.326 1.00 14.10 O ATOM 0 H SER A 69 4.461 5.682 3.416 1.00 4.01 H new ATOM 0 HA SER A 69 4.344 2.866 3.654 1.00 1.12 H new ATOM 0 HB2 SER A 69 6.384 3.164 5.010 1.00 63.41 H new ATOM 0 HB3 SER A 69 6.447 4.158 3.568 1.00 63.41 H new ATOM 0 HG SER A 69 5.705 5.957 4.894 1.00 14.10 H new ATOM 543 N GLY A 70 3.260 4.601 6.218 1.00 55.41 N ATOM 544 CA GLY A 70 2.495 4.501 7.455 1.00 74.00 C ATOM 545 C GLY A 70 1.130 3.842 7.260 1.00 53.33 C ATOM 546 O GLY A 70 0.618 3.173 8.161 1.00 62.34 O ATOM 0 H GLY A 70 3.396 5.553 5.879 1.00 55.41 H new ATOM 0 HA2 GLY A 70 3.068 3.929 8.185 1.00 74.00 H new ATOM 0 HA3 GLY A 70 2.355 5.499 7.871 1.00 74.00 H new ATOM 550 N PHE A 71 0.536 4.032 6.085 1.00 12.11 N ATOM 551 CA PHE A 71 -0.770 3.443 5.776 1.00 64.31 C ATOM 552 C PHE A 71 -0.691 1.911 5.712 1.00 61.15 C ATOM 553 O PHE A 71 -1.516 1.210 6.304 1.00 31.50 O ATOM 554 CB PHE A 71 -1.307 4.002 4.449 1.00 42.10 C ATOM 555 CG PHE A 71 -2.620 3.391 4.023 1.00 61.51 C ATOM 556 CD1 PHE A 71 -3.788 3.669 4.719 1.00 61.12 C ATOM 557 CD2 PHE A 71 -2.687 2.532 2.931 1.00 42.21 C ATOM 558 CE1 PHE A 71 -4.991 3.107 4.337 1.00 10.41 C ATOM 559 CE2 PHE A 71 -3.887 1.968 2.546 1.00 54.45 C ATOM 560 CZ PHE A 71 -5.040 2.253 3.251 1.00 75.11 C ATOM 0 H PHE A 71 0.936 4.589 5.329 1.00 12.11 H new ATOM 0 HA PHE A 71 -1.456 3.712 6.579 1.00 64.31 H new ATOM 0 HB2 PHE A 71 -1.431 5.081 4.543 1.00 42.10 H new ATOM 0 HB3 PHE A 71 -0.567 3.833 3.667 1.00 42.10 H new ATOM 0 HD1 PHE A 71 -3.756 4.333 5.570 1.00 61.12 H new ATOM 0 HD2 PHE A 71 -1.789 2.303 2.377 1.00 42.21 H new ATOM 0 HE1 PHE A 71 -5.892 3.335 4.886 1.00 10.41 H new ATOM 0 HE2 PHE A 71 -3.924 1.305 1.694 1.00 54.45 H new ATOM 0 HZ PHE A 71 -5.979 1.809 2.954 1.00 75.11 H new ATOM 570 N VAL A 72 0.312 1.398 5.002 1.00 21.51 N ATOM 571 CA VAL A 72 0.465 -0.049 4.839 1.00 42.13 C ATOM 572 C VAL A 72 0.835 -0.742 6.163 1.00 74.24 C ATOM 573 O VAL A 72 0.317 -1.820 6.463 1.00 43.33 O ATOM 574 CB VAL A 72 1.509 -0.400 3.746 1.00 51.01 C ATOM 575 CG1 VAL A 72 2.918 0.013 4.160 1.00 31.42 C ATOM 576 CG2 VAL A 72 1.455 -1.888 3.415 1.00 62.32 C ATOM 0 H VAL A 72 1.026 1.956 4.534 1.00 21.51 H new ATOM 0 HA VAL A 72 -0.507 -0.424 4.518 1.00 42.13 H new ATOM 0 HB VAL A 72 1.255 0.165 2.850 1.00 51.01 H new ATOM 0 HG11 VAL A 72 3.621 -0.249 3.369 1.00 31.42 H new ATOM 0 HG12 VAL A 72 2.947 1.089 4.329 1.00 31.42 H new ATOM 0 HG13 VAL A 72 3.194 -0.506 5.078 1.00 31.42 H new ATOM 0 HG21 VAL A 72 2.194 -2.117 2.647 1.00 62.32 H new ATOM 0 HG22 VAL A 72 1.672 -2.468 4.312 1.00 62.32 H new ATOM 0 HG23 VAL A 72 0.460 -2.144 3.050 1.00 62.32 H new ATOM 586 N GLN A 73 1.712 -0.119 6.964 1.00 21.33 N ATOM 587 CA GLN A 73 2.084 -0.685 8.270 1.00 31.44 C ATOM 588 C GLN A 73 0.840 -0.854 9.155 1.00 32.21 C ATOM 589 O GLN A 73 0.678 -1.867 9.837 1.00 75.23 O ATOM 590 CB GLN A 73 3.120 0.194 8.998 1.00 11.12 C ATOM 591 CG GLN A 73 2.535 1.460 9.619 1.00 44.23 C ATOM 592 CD GLN A 73 3.503 2.213 10.512 1.00 14.22 C ATOM 593 OE1 GLN A 73 3.308 3.509 10.636 1.00 43.40 O flip ATOM 594 NE2 GLN A 73 4.401 1.635 11.109 1.00 0.24 N flip ATOM 0 H GLN A 73 2.171 0.763 6.736 1.00 21.33 H new ATOM 0 HA GLN A 73 2.535 -1.660 8.085 1.00 31.44 H new ATOM 0 HB2 GLN A 73 3.595 -0.396 9.781 1.00 11.12 H new ATOM 0 HB3 GLN A 73 3.902 0.476 8.293 1.00 11.12 H new ATOM 0 HG2 GLN A 73 2.202 2.123 8.821 1.00 44.23 H new ATOM 0 HG3 GLN A 73 1.653 1.193 10.201 1.00 44.23 H new ATOM 0 HE21 GLN A 73 4.526 0.630 10.992 1.00 0.24 H new ATOM 0 HE22 GLN A 73 5.024 2.159 11.724 1.00 0.24 H new ATOM 603 N ARG A 74 -0.043 0.150 9.132 1.00 70.02 N ATOM 604 CA ARG A 74 -1.294 0.092 9.887 1.00 4.34 C ATOM 605 C ARG A 74 -2.219 -0.993 9.330 1.00 60.21 C ATOM 606 O ARG A 74 -2.451 -1.997 9.988 1.00 45.10 O ATOM 607 CB ARG A 74 -2.009 1.455 9.882 1.00 5.00 C ATOM 608 CG ARG A 74 -1.318 2.524 10.728 1.00 70.13 C ATOM 609 CD ARG A 74 -1.210 2.106 12.194 1.00 41.53 C ATOM 610 NE ARG A 74 -2.507 1.745 12.776 1.00 61.34 N ATOM 611 CZ ARG A 74 -3.037 2.322 13.825 1.00 51.24 C ATOM 612 NH1 ARG A 74 -2.424 3.285 14.438 1.00 15.22 N ATOM 613 NH2 ARG A 74 -4.181 1.917 14.276 1.00 54.12 N ATOM 0 H ARG A 74 0.087 1.010 8.599 1.00 70.02 H new ATOM 0 HA ARG A 74 -1.045 -0.160 10.918 1.00 4.34 H new ATOM 0 HB2 ARG A 74 -2.082 1.811 8.854 1.00 5.00 H new ATOM 0 HB3 ARG A 74 -3.027 1.321 10.246 1.00 5.00 H new ATOM 0 HG2 ARG A 74 -0.321 2.714 10.330 1.00 70.13 H new ATOM 0 HG3 ARG A 74 -1.874 3.459 10.657 1.00 70.13 H new ATOM 0 HD2 ARG A 74 -0.530 1.258 12.277 1.00 41.53 H new ATOM 0 HD3 ARG A 74 -0.773 2.922 12.769 1.00 41.53 H new ATOM 0 HE ARG A 74 -3.033 0.992 12.333 1.00 61.34 H new ATOM 0 HH11 ARG A 74 -1.514 3.604 14.105 1.00 15.22 H new ATOM 0 HH12 ARG A 74 -2.851 3.724 15.254 1.00 15.22 H new ATOM 0 HH21 ARG A 74 -4.668 1.149 13.814 1.00 54.12 H new ATOM 0 HH22 ARG A 74 -4.595 2.366 15.093 1.00 54.12 H new ATOM 627 N THR A 75 -2.710 -0.794 8.106 1.00 53.42 N ATOM 628 CA THR A 75 -3.671 -1.724 7.476 1.00 43.34 C ATOM 629 C THR A 75 -3.323 -3.199 7.744 1.00 72.10 C ATOM 630 O THR A 75 -4.185 -3.998 8.127 1.00 12.15 O ATOM 631 CB THR A 75 -3.741 -1.496 5.946 1.00 54.32 C ATOM 632 OG1 THR A 75 -4.042 -0.119 5.668 1.00 25.33 O ATOM 633 CG2 THR A 75 -4.801 -2.384 5.300 1.00 62.13 C ATOM 0 H THR A 75 -2.461 0.005 7.522 1.00 53.42 H new ATOM 0 HA THR A 75 -4.640 -1.512 7.928 1.00 43.34 H new ATOM 0 HB THR A 75 -2.769 -1.756 5.526 1.00 54.32 H new ATOM 0 HG1 THR A 75 -3.231 0.421 5.774 1.00 25.33 H new ATOM 0 HG21 THR A 75 -4.825 -2.200 4.226 1.00 62.13 H new ATOM 0 HG22 THR A 75 -4.559 -3.431 5.483 1.00 62.13 H new ATOM 0 HG23 THR A 75 -5.777 -2.156 5.729 1.00 62.13 H new ATOM 641 N PHE A 76 -2.050 -3.552 7.566 1.00 42.01 N ATOM 642 CA PHE A 76 -1.591 -4.922 7.809 1.00 54.31 C ATOM 643 C PHE A 76 -1.620 -5.295 9.302 1.00 5.43 C ATOM 644 O PHE A 76 -1.987 -6.417 9.652 1.00 54.33 O ATOM 645 CB PHE A 76 -0.180 -5.134 7.232 1.00 55.02 C ATOM 646 CG PHE A 76 -0.133 -5.249 5.724 1.00 21.44 C ATOM 647 CD1 PHE A 76 -1.297 -5.364 4.972 1.00 43.01 C ATOM 648 CD2 PHE A 76 1.086 -5.257 5.057 1.00 1.03 C ATOM 649 CE1 PHE A 76 -1.245 -5.481 3.596 1.00 3.14 C ATOM 650 CE2 PHE A 76 1.140 -5.379 3.680 1.00 4.14 C ATOM 651 CZ PHE A 76 -0.026 -5.491 2.948 1.00 71.20 C ATOM 0 H PHE A 76 -1.319 -2.912 7.255 1.00 42.01 H new ATOM 0 HA PHE A 76 -2.289 -5.584 7.297 1.00 54.31 H new ATOM 0 HB2 PHE A 76 0.454 -4.303 7.541 1.00 55.02 H new ATOM 0 HB3 PHE A 76 0.245 -6.039 7.667 1.00 55.02 H new ATOM 0 HD1 PHE A 76 -2.255 -5.362 5.470 1.00 43.01 H new ATOM 0 HD2 PHE A 76 2.003 -5.167 5.621 1.00 1.03 H new ATOM 0 HE1 PHE A 76 -2.159 -5.565 3.027 1.00 3.14 H new ATOM 0 HE2 PHE A 76 2.095 -5.387 3.177 1.00 4.14 H new ATOM 0 HZ PHE A 76 0.016 -5.586 1.873 1.00 71.20 H new ATOM 661 N ARG A 77 -1.247 -4.371 10.189 1.00 4.10 N ATOM 662 CA ARG A 77 -1.231 -4.669 11.629 1.00 62.43 C ATOM 663 C ARG A 77 -2.639 -4.586 12.247 1.00 71.24 C ATOM 664 O ARG A 77 -2.879 -5.132 13.324 1.00 44.42 O ATOM 665 CB ARG A 77 -0.257 -3.746 12.383 1.00 22.41 C ATOM 666 CG ARG A 77 -0.779 -2.336 12.641 1.00 33.55 C ATOM 667 CD ARG A 77 0.234 -1.495 13.416 1.00 11.02 C ATOM 668 NE ARG A 77 0.668 -2.154 14.650 1.00 52.12 N ATOM 669 CZ ARG A 77 1.432 -1.602 15.556 1.00 60.33 C ATOM 670 NH1 ARG A 77 1.831 -0.375 15.440 1.00 21.22 N ATOM 671 NH2 ARG A 77 1.786 -2.282 16.593 1.00 51.34 N ATOM 0 H ARG A 77 -0.956 -3.424 9.945 1.00 4.10 H new ATOM 0 HA ARG A 77 -0.880 -5.696 11.735 1.00 62.43 H new ATOM 0 HB2 ARG A 77 -0.009 -4.207 13.339 1.00 22.41 H new ATOM 0 HB3 ARG A 77 0.670 -3.676 11.813 1.00 22.41 H new ATOM 0 HG2 ARG A 77 -1.004 -1.851 11.691 1.00 33.55 H new ATOM 0 HG3 ARG A 77 -1.713 -2.390 13.201 1.00 33.55 H new ATOM 0 HD2 ARG A 77 1.101 -1.301 12.785 1.00 11.02 H new ATOM 0 HD3 ARG A 77 -0.208 -0.528 13.658 1.00 11.02 H new ATOM 0 HE ARG A 77 0.352 -3.110 14.814 1.00 52.12 H new ATOM 0 HH11 ARG A 77 1.549 0.179 14.631 1.00 21.22 H new ATOM 0 HH12 ARG A 77 2.427 0.038 16.158 1.00 21.22 H new ATOM 0 HH21 ARG A 77 1.470 -3.246 16.703 1.00 51.34 H new ATOM 0 HH22 ARG A 77 2.382 -1.856 17.303 1.00 51.34 H new ATOM 685 N GLU A 78 -3.564 -3.904 11.568 1.00 62.05 N ATOM 686 CA GLU A 78 -4.963 -3.851 12.017 1.00 3.24 C ATOM 687 C GLU A 78 -5.646 -5.204 11.780 1.00 12.41 C ATOM 688 O GLU A 78 -6.321 -5.747 12.658 1.00 5.50 O ATOM 689 CB GLU A 78 -5.764 -2.768 11.263 1.00 3.01 C ATOM 690 CG GLU A 78 -5.104 -1.392 11.176 1.00 54.24 C ATOM 691 CD GLU A 78 -4.814 -0.755 12.523 1.00 4.14 C ATOM 692 OE1 GLU A 78 -5.714 -0.106 13.087 1.00 30.43 O ATOM 693 OE2 GLU A 78 -3.670 -0.870 13.009 1.00 23.33 O ATOM 0 H GLU A 78 -3.375 -3.383 10.711 1.00 62.05 H new ATOM 0 HA GLU A 78 -4.949 -3.608 13.080 1.00 3.24 H new ATOM 0 HB2 GLU A 78 -5.955 -3.123 10.250 1.00 3.01 H new ATOM 0 HB3 GLU A 78 -6.733 -2.655 11.749 1.00 3.01 H new ATOM 0 HG2 GLU A 78 -4.170 -1.484 10.621 1.00 54.24 H new ATOM 0 HG3 GLU A 78 -5.751 -0.727 10.604 1.00 54.24 H new ATOM 700 N GLN A 79 -5.464 -5.737 10.572 1.00 62.10 N ATOM 701 CA GLN A 79 -6.142 -6.968 10.146 1.00 53.25 C ATOM 702 C GLN A 79 -5.282 -8.228 10.361 1.00 74.21 C ATOM 703 O GLN A 79 -5.724 -9.193 10.985 1.00 41.43 O ATOM 704 CB GLN A 79 -6.527 -6.848 8.664 1.00 3.33 C ATOM 705 CG GLN A 79 -7.441 -5.662 8.357 1.00 55.10 C ATOM 706 CD GLN A 79 -8.794 -5.767 9.039 1.00 50.00 C ATOM 707 OE1 GLN A 79 -9.297 -6.859 9.281 1.00 23.43 O ATOM 708 NE2 GLN A 79 -9.390 -4.641 9.359 1.00 72.12 N ATOM 0 H GLN A 79 -4.849 -5.335 9.865 1.00 62.10 H new ATOM 0 HA GLN A 79 -7.032 -7.082 10.765 1.00 53.25 H new ATOM 0 HB2 GLN A 79 -5.618 -6.758 8.069 1.00 3.33 H new ATOM 0 HB3 GLN A 79 -7.023 -7.767 8.352 1.00 3.33 H new ATOM 0 HG2 GLN A 79 -6.951 -4.741 8.673 1.00 55.10 H new ATOM 0 HG3 GLN A 79 -7.587 -5.592 7.279 1.00 55.10 H new ATOM 0 HE21 GLN A 79 -8.945 -3.749 9.144 1.00 72.12 H new ATOM 0 HE22 GLN A 79 -10.298 -4.659 9.823 1.00 72.12 H new ATOM 717 N PHE A 80 -4.058 -8.221 9.836 1.00 62.50 N ATOM 718 CA PHE A 80 -3.195 -9.415 9.850 1.00 33.34 C ATOM 719 C PHE A 80 -2.252 -9.438 11.063 1.00 44.21 C ATOM 720 O PHE A 80 -1.789 -10.502 11.481 1.00 74.43 O ATOM 721 CB PHE A 80 -2.376 -9.479 8.553 1.00 61.22 C ATOM 722 CG PHE A 80 -3.222 -9.351 7.310 1.00 54.32 C ATOM 723 CD1 PHE A 80 -3.957 -10.430 6.839 1.00 23.33 C ATOM 724 CD2 PHE A 80 -3.297 -8.146 6.625 1.00 45.11 C ATOM 725 CE1 PHE A 80 -4.743 -10.310 5.708 1.00 3.22 C ATOM 726 CE2 PHE A 80 -4.082 -8.020 5.495 1.00 24.40 C ATOM 727 CZ PHE A 80 -4.806 -9.104 5.038 1.00 21.41 C ATOM 0 H PHE A 80 -3.636 -7.404 9.394 1.00 62.50 H new ATOM 0 HA PHE A 80 -3.845 -10.287 9.925 1.00 33.34 H new ATOM 0 HB2 PHE A 80 -1.631 -8.683 8.561 1.00 61.22 H new ATOM 0 HB3 PHE A 80 -1.833 -10.424 8.520 1.00 61.22 H new ATOM 0 HD1 PHE A 80 -3.914 -11.374 7.362 1.00 23.33 H new ATOM 0 HD2 PHE A 80 -2.734 -7.295 6.980 1.00 45.11 H new ATOM 0 HE1 PHE A 80 -5.307 -11.158 5.349 1.00 3.22 H new ATOM 0 HE2 PHE A 80 -4.129 -7.077 4.971 1.00 24.40 H new ATOM 0 HZ PHE A 80 -5.422 -9.008 4.156 1.00 21.41 H new ATOM 737 N GLY A 81 -1.967 -8.269 11.625 1.00 74.15 N ATOM 738 CA GLY A 81 -1.040 -8.180 12.749 1.00 0.35 C ATOM 739 C GLY A 81 0.424 -8.201 12.317 1.00 24.53 C ATOM 740 O GLY A 81 1.277 -8.777 13.000 1.00 62.42 O ATOM 0 H GLY A 81 -2.360 -7.377 11.325 1.00 74.15 H new ATOM 0 HA2 GLY A 81 -1.237 -7.262 13.303 1.00 0.35 H new ATOM 0 HA3 GLY A 81 -1.224 -9.010 13.431 1.00 0.35 H new ATOM 744 N LEU A 82 0.713 -7.573 11.178 1.00 11.30 N ATOM 745 CA LEU A 82 2.078 -7.503 10.642 1.00 34.42 C ATOM 746 C LEU A 82 2.776 -6.195 11.062 1.00 10.45 C ATOM 747 O LEU A 82 2.320 -5.100 10.724 1.00 41.10 O ATOM 748 CB LEU A 82 2.038 -7.607 9.108 1.00 31.02 C ATOM 749 CG LEU A 82 3.408 -7.694 8.414 1.00 75.25 C ATOM 750 CD1 LEU A 82 4.130 -8.983 8.794 1.00 62.44 C ATOM 751 CD2 LEU A 82 3.252 -7.589 6.898 1.00 54.32 C ATOM 0 H LEU A 82 0.016 -7.101 10.602 1.00 11.30 H new ATOM 0 HA LEU A 82 2.649 -8.336 11.051 1.00 34.42 H new ATOM 0 HB2 LEU A 82 1.456 -8.488 8.836 1.00 31.02 H new ATOM 0 HB3 LEU A 82 1.506 -6.740 8.716 1.00 31.02 H new ATOM 0 HG LEU A 82 4.014 -6.854 8.755 1.00 75.25 H new ATOM 0 HD11 LEU A 82 5.096 -9.021 8.291 1.00 62.44 H new ATOM 0 HD12 LEU A 82 4.282 -9.010 9.873 1.00 62.44 H new ATOM 0 HD13 LEU A 82 3.529 -9.840 8.490 1.00 62.44 H new ATOM 0 HD21 LEU A 82 4.232 -7.653 6.426 1.00 54.32 H new ATOM 0 HD22 LEU A 82 2.623 -8.404 6.540 1.00 54.32 H new ATOM 0 HD23 LEU A 82 2.789 -6.635 6.645 1.00 54.32 H new ATOM 763 N GLU A 83 3.885 -6.313 11.792 1.00 4.03 N ATOM 764 CA GLU A 83 4.600 -5.138 12.312 1.00 70.00 C ATOM 765 C GLU A 83 5.628 -4.589 11.305 1.00 2.31 C ATOM 766 O GLU A 83 6.815 -4.924 11.364 1.00 41.12 O ATOM 767 CB GLU A 83 5.300 -5.481 13.635 1.00 41.41 C ATOM 768 CG GLU A 83 4.351 -5.884 14.759 1.00 12.14 C ATOM 769 CD GLU A 83 5.085 -6.180 16.057 1.00 43.15 C ATOM 770 OE1 GLU A 83 5.366 -5.233 16.817 1.00 41.03 O ATOM 771 OE2 GLU A 83 5.398 -7.358 16.322 1.00 34.30 O ATOM 0 H GLU A 83 4.310 -7.207 12.039 1.00 4.03 H new ATOM 0 HA GLU A 83 3.856 -4.360 12.482 1.00 70.00 H new ATOM 0 HB2 GLU A 83 6.004 -6.294 13.460 1.00 41.41 H new ATOM 0 HB3 GLU A 83 5.883 -4.619 13.959 1.00 41.41 H new ATOM 0 HG2 GLU A 83 3.630 -5.084 14.927 1.00 12.14 H new ATOM 0 HG3 GLU A 83 3.785 -6.765 14.455 1.00 12.14 H new ATOM 778 N LEU A 84 5.164 -3.755 10.378 1.00 31.12 N ATOM 779 CA LEU A 84 6.052 -3.102 9.408 1.00 53.43 C ATOM 780 C LEU A 84 6.513 -1.724 9.912 1.00 24.30 C ATOM 781 O LEU A 84 5.765 -1.028 10.596 1.00 31.51 O ATOM 782 CB LEU A 84 5.347 -2.947 8.052 1.00 63.44 C ATOM 783 CG LEU A 84 5.009 -4.260 7.328 1.00 72.42 C ATOM 784 CD1 LEU A 84 4.318 -3.976 5.994 1.00 73.23 C ATOM 785 CD2 LEU A 84 6.264 -5.108 7.117 1.00 21.11 C ATOM 0 H LEU A 84 4.179 -3.513 10.274 1.00 31.12 H new ATOM 0 HA LEU A 84 6.930 -3.736 9.287 1.00 53.43 H new ATOM 0 HB2 LEU A 84 4.424 -2.388 8.204 1.00 63.44 H new ATOM 0 HB3 LEU A 84 5.980 -2.345 7.400 1.00 63.44 H new ATOM 0 HG LEU A 84 4.322 -4.826 7.957 1.00 72.42 H new ATOM 0 HD11 LEU A 84 4.087 -4.918 5.496 1.00 73.23 H new ATOM 0 HD12 LEU A 84 3.395 -3.424 6.172 1.00 73.23 H new ATOM 0 HD13 LEU A 84 4.979 -3.384 5.361 1.00 73.23 H new ATOM 0 HD21 LEU A 84 5.997 -6.031 6.603 1.00 21.11 H new ATOM 0 HD22 LEU A 84 6.982 -4.552 6.514 1.00 21.11 H new ATOM 0 HD23 LEU A 84 6.709 -5.346 8.083 1.00 21.11 H new ATOM 797 N PRO A 85 7.757 -1.319 9.591 1.00 63.50 N ATOM 798 CA PRO A 85 8.284 0.011 9.960 1.00 33.45 C ATOM 799 C PRO A 85 7.626 1.158 9.164 1.00 3.14 C ATOM 800 O PRO A 85 7.234 0.978 8.011 1.00 74.44 O ATOM 801 CB PRO A 85 9.776 -0.099 9.618 1.00 73.21 C ATOM 802 CG PRO A 85 9.843 -1.137 8.548 1.00 41.50 C ATOM 803 CD PRO A 85 8.756 -2.127 8.862 1.00 52.33 C ATOM 0 HA PRO A 85 8.084 0.253 11.004 1.00 33.45 H new ATOM 0 HB2 PRO A 85 10.174 0.854 9.271 1.00 73.21 H new ATOM 0 HB3 PRO A 85 10.362 -0.390 10.490 1.00 73.21 H new ATOM 0 HG2 PRO A 85 9.694 -0.693 7.564 1.00 41.50 H new ATOM 0 HG3 PRO A 85 10.820 -1.621 8.535 1.00 41.50 H new ATOM 0 HD2 PRO A 85 8.336 -2.563 7.956 1.00 52.33 H new ATOM 0 HD3 PRO A 85 9.127 -2.952 9.470 1.00 52.33 H new ATOM 811 N ARG A 86 7.534 2.344 9.773 1.00 35.44 N ATOM 812 CA ARG A 86 6.858 3.496 9.140 1.00 21.30 C ATOM 813 C ARG A 86 7.784 4.249 8.157 1.00 42.24 C ATOM 814 O ARG A 86 7.796 5.479 8.107 1.00 4.52 O ATOM 815 CB ARG A 86 6.298 4.465 10.212 1.00 1.23 C ATOM 816 CG ARG A 86 7.328 5.318 10.966 1.00 4.05 C ATOM 817 CD ARG A 86 8.199 4.510 11.923 1.00 31.31 C ATOM 818 NE ARG A 86 9.057 5.373 12.735 1.00 51.54 N ATOM 819 CZ ARG A 86 9.777 4.956 13.739 1.00 2.25 C ATOM 820 NH1 ARG A 86 9.822 3.705 14.051 1.00 23.13 N ATOM 821 NH2 ARG A 86 10.473 5.799 14.423 1.00 41.44 N ATOM 0 H ARG A 86 7.915 2.538 10.699 1.00 35.44 H new ATOM 0 HA ARG A 86 6.026 3.097 8.560 1.00 21.30 H new ATOM 0 HB2 ARG A 86 5.587 5.135 9.729 1.00 1.23 H new ATOM 0 HB3 ARG A 86 5.739 3.880 10.942 1.00 1.23 H new ATOM 0 HG2 ARG A 86 7.968 5.824 10.244 1.00 4.05 H new ATOM 0 HG3 ARG A 86 6.806 6.093 11.528 1.00 4.05 H new ATOM 0 HD2 ARG A 86 7.564 3.911 12.576 1.00 31.31 H new ATOM 0 HD3 ARG A 86 8.816 3.815 11.354 1.00 31.31 H new ATOM 0 HE ARG A 86 9.094 6.365 12.501 1.00 51.54 H new ATOM 0 HH11 ARG A 86 9.289 3.025 13.509 1.00 23.13 H new ATOM 0 HH12 ARG A 86 10.391 3.396 14.840 1.00 23.13 H new ATOM 0 HH21 ARG A 86 10.459 6.789 14.178 1.00 41.44 H new ATOM 0 HH22 ARG A 86 11.037 5.476 15.209 1.00 41.44 H new ATOM 835 N SER A 87 8.540 3.502 7.359 1.00 33.24 N ATOM 836 CA SER A 87 9.457 4.099 6.375 1.00 41.43 C ATOM 837 C SER A 87 9.689 3.152 5.195 1.00 41.13 C ATOM 838 O SER A 87 10.227 2.057 5.366 1.00 24.13 O ATOM 839 CB SER A 87 10.803 4.450 7.028 1.00 3.22 C ATOM 840 OG SER A 87 10.649 5.422 8.055 1.00 53.12 O ATOM 0 H SER A 87 8.541 2.482 7.369 1.00 33.24 H new ATOM 0 HA SER A 87 8.993 5.013 6.004 1.00 41.43 H new ATOM 0 HB2 SER A 87 11.252 3.548 7.444 1.00 3.22 H new ATOM 0 HB3 SER A 87 11.489 4.827 6.269 1.00 3.22 H new ATOM 0 HG SER A 87 11.523 5.621 8.450 1.00 53.12 H new ATOM 846 N THR A 88 9.293 3.589 3.998 1.00 2.20 N ATOM 847 CA THR A 88 9.399 2.769 2.777 1.00 13.23 C ATOM 848 C THR A 88 10.788 2.132 2.615 1.00 25.30 C ATOM 849 O THR A 88 10.903 0.950 2.295 1.00 15.43 O ATOM 850 CB THR A 88 9.088 3.605 1.513 1.00 21.04 C ATOM 851 OG1 THR A 88 7.873 4.341 1.704 1.00 31.13 O ATOM 852 CG2 THR A 88 8.950 2.715 0.280 1.00 32.14 C ATOM 0 H THR A 88 8.892 4.514 3.842 1.00 2.20 H new ATOM 0 HA THR A 88 8.663 1.973 2.887 1.00 13.23 H new ATOM 0 HB THR A 88 9.919 4.292 1.352 1.00 21.04 H new ATOM 0 HG1 THR A 88 7.709 4.909 0.923 1.00 31.13 H new ATOM 0 HG21 THR A 88 8.732 3.332 -0.592 1.00 32.14 H new ATOM 0 HG22 THR A 88 9.881 2.173 0.117 1.00 32.14 H new ATOM 0 HG23 THR A 88 8.138 2.004 0.434 1.00 32.14 H new ATOM 860 N TYR A 89 11.838 2.919 2.852 1.00 43.22 N ATOM 861 CA TYR A 89 13.222 2.430 2.745 1.00 53.24 C ATOM 862 C TYR A 89 13.457 1.190 3.621 1.00 4.04 C ATOM 863 O TYR A 89 14.038 0.200 3.170 1.00 54.14 O ATOM 864 CB TYR A 89 14.207 3.538 3.141 1.00 54.34 C ATOM 865 CG TYR A 89 14.186 4.730 2.204 1.00 11.22 C ATOM 866 CD1 TYR A 89 13.203 5.710 2.308 1.00 34.15 C ATOM 867 CD2 TYR A 89 15.148 4.873 1.210 1.00 23.04 C ATOM 868 CE1 TYR A 89 13.184 6.793 1.454 1.00 4.35 C ATOM 869 CE2 TYR A 89 15.134 5.955 0.353 1.00 35.22 C ATOM 870 CZ TYR A 89 14.152 6.911 0.481 1.00 70.13 C ATOM 871 OH TYR A 89 14.130 7.987 -0.373 1.00 4.33 O ATOM 0 H TYR A 89 11.761 3.900 3.120 1.00 43.22 H new ATOM 0 HA TYR A 89 13.390 2.145 1.706 1.00 53.24 H new ATOM 0 HB2 TYR A 89 13.975 3.876 4.151 1.00 54.34 H new ATOM 0 HB3 TYR A 89 15.215 3.124 3.167 1.00 54.34 H new ATOM 0 HD1 TYR A 89 12.443 5.621 3.070 1.00 34.15 H new ATOM 0 HD2 TYR A 89 15.920 4.124 1.107 1.00 23.04 H new ATOM 0 HE1 TYR A 89 12.414 7.545 1.548 1.00 4.35 H new ATOM 0 HE2 TYR A 89 15.889 6.051 -0.413 1.00 35.22 H new ATOM 0 HH TYR A 89 14.881 7.923 -1.000 1.00 4.33 H new ATOM 881 N GLU A 90 12.995 1.254 4.868 1.00 12.24 N ATOM 882 CA GLU A 90 13.081 0.116 5.787 1.00 20.34 C ATOM 883 C GLU A 90 12.262 -1.072 5.253 1.00 13.04 C ATOM 884 O GLU A 90 12.701 -2.222 5.288 1.00 72.34 O ATOM 885 CB GLU A 90 12.553 0.517 7.173 1.00 62.54 C ATOM 886 CG GLU A 90 13.260 1.714 7.805 1.00 55.14 C ATOM 887 CD GLU A 90 14.726 1.453 8.109 1.00 75.23 C ATOM 888 OE1 GLU A 90 15.024 0.471 8.822 1.00 41.51 O ATOM 889 OE2 GLU A 90 15.582 2.235 7.648 1.00 5.33 O ATOM 0 H GLU A 90 12.556 2.083 5.268 1.00 12.24 H new ATOM 0 HA GLU A 90 14.127 -0.181 5.868 1.00 20.34 H new ATOM 0 HB2 GLU A 90 11.490 0.743 7.090 1.00 62.54 H new ATOM 0 HB3 GLU A 90 12.646 -0.338 7.843 1.00 62.54 H new ATOM 0 HG2 GLU A 90 13.182 2.569 7.134 1.00 55.14 H new ATOM 0 HG3 GLU A 90 12.747 1.985 8.728 1.00 55.14 H new ATOM 896 N GLN A 91 11.066 -0.773 4.746 1.00 5.30 N ATOM 897 CA GLN A 91 10.156 -1.799 4.216 1.00 11.32 C ATOM 898 C GLN A 91 10.762 -2.527 3.000 1.00 70.11 C ATOM 899 O GLN A 91 10.495 -3.708 2.776 1.00 71.52 O ATOM 900 CB GLN A 91 8.812 -1.161 3.845 1.00 65.22 C ATOM 901 CG GLN A 91 8.157 -0.405 5.001 1.00 20.05 C ATOM 902 CD GLN A 91 6.843 0.257 4.619 1.00 71.55 C ATOM 903 OE1 GLN A 91 6.627 0.619 3.472 1.00 74.41 O ATOM 904 NE2 GLN A 91 5.967 0.442 5.587 1.00 54.32 N ATOM 0 H GLN A 91 10.699 0.177 4.689 1.00 5.30 H new ATOM 0 HA GLN A 91 9.998 -2.545 4.995 1.00 11.32 H new ATOM 0 HB2 GLN A 91 8.962 -0.475 3.011 1.00 65.22 H new ATOM 0 HB3 GLN A 91 8.132 -1.940 3.499 1.00 65.22 H new ATOM 0 HG2 GLN A 91 7.981 -1.097 5.825 1.00 20.05 H new ATOM 0 HG3 GLN A 91 8.847 0.356 5.365 1.00 20.05 H new ATOM 0 HE21 GLN A 91 6.179 0.127 6.534 1.00 54.32 H new ATOM 0 HE22 GLN A 91 5.077 0.900 5.389 1.00 54.32 H new ATOM 913 N GLN A 92 11.595 -1.818 2.234 1.00 72.11 N ATOM 914 CA GLN A 92 12.294 -2.410 1.081 1.00 11.15 C ATOM 915 C GLN A 92 13.253 -3.535 1.513 1.00 52.04 C ATOM 916 O GLN A 92 13.710 -4.325 0.688 1.00 32.31 O ATOM 917 CB GLN A 92 13.073 -1.329 0.311 1.00 63.10 C ATOM 918 CG GLN A 92 12.192 -0.237 -0.291 1.00 64.35 C ATOM 919 CD GLN A 92 12.977 0.823 -1.055 1.00 63.12 C ATOM 920 OE1 GLN A 92 12.484 1.401 -2.018 1.00 14.02 O ATOM 921 NE2 GLN A 92 14.193 1.102 -0.627 1.00 44.13 N ATOM 0 H GLN A 92 11.805 -0.832 2.388 1.00 72.11 H new ATOM 0 HA GLN A 92 11.536 -2.843 0.429 1.00 11.15 H new ATOM 0 HB2 GLN A 92 13.796 -0.868 0.984 1.00 63.10 H new ATOM 0 HB3 GLN A 92 13.641 -1.805 -0.488 1.00 63.10 H new ATOM 0 HG2 GLN A 92 11.466 -0.695 -0.963 1.00 64.35 H new ATOM 0 HG3 GLN A 92 11.627 0.245 0.507 1.00 64.35 H new ATOM 0 HE21 GLN A 92 14.577 0.605 0.177 1.00 44.13 H new ATOM 0 HE22 GLN A 92 14.749 1.815 -1.100 1.00 44.13 H new ATOM 930 N GLU A 93 13.567 -3.589 2.805 1.00 52.41 N ATOM 931 CA GLU A 93 14.437 -4.636 3.355 1.00 52.34 C ATOM 932 C GLU A 93 13.621 -5.716 4.095 1.00 3.13 C ATOM 933 O GLU A 93 14.171 -6.718 4.552 1.00 22.21 O ATOM 934 CB GLU A 93 15.468 -4.004 4.307 1.00 20.13 C ATOM 935 CG GLU A 93 16.350 -2.948 3.644 1.00 60.31 C ATOM 936 CD GLU A 93 17.351 -2.319 4.603 1.00 3.21 C ATOM 937 OE1 GLU A 93 18.435 -2.907 4.810 1.00 22.11 O ATOM 938 OE2 GLU A 93 17.068 -1.231 5.148 1.00 30.30 O ATOM 0 H GLU A 93 13.232 -2.918 3.497 1.00 52.41 H new ATOM 0 HA GLU A 93 14.954 -5.121 2.527 1.00 52.34 H new ATOM 0 HB2 GLU A 93 14.943 -3.550 5.147 1.00 20.13 H new ATOM 0 HB3 GLU A 93 16.103 -4.791 4.715 1.00 20.13 H new ATOM 0 HG2 GLU A 93 16.889 -3.403 2.813 1.00 60.31 H new ATOM 0 HG3 GLU A 93 15.717 -2.166 3.224 1.00 60.31 H new ATOM 945 N MET A 94 12.305 -5.515 4.190 1.00 13.12 N ATOM 946 CA MET A 94 11.424 -6.424 4.945 1.00 15.01 C ATOM 947 C MET A 94 10.761 -7.496 4.053 1.00 72.32 C ATOM 948 O MET A 94 10.190 -8.466 4.560 1.00 64.11 O ATOM 949 CB MET A 94 10.334 -5.615 5.662 1.00 1.04 C ATOM 950 CG MET A 94 10.878 -4.610 6.668 1.00 5.34 C ATOM 951 SD MET A 94 11.789 -5.392 8.014 1.00 44.10 S ATOM 952 CE MET A 94 10.492 -6.347 8.804 1.00 43.03 C ATOM 0 H MET A 94 11.820 -4.731 3.754 1.00 13.12 H new ATOM 0 HA MET A 94 12.052 -6.945 5.667 1.00 15.01 H new ATOM 0 HB2 MET A 94 9.739 -5.085 4.918 1.00 1.04 H new ATOM 0 HB3 MET A 94 9.663 -6.303 6.176 1.00 1.04 H new ATOM 0 HG2 MET A 94 11.532 -3.906 6.154 1.00 5.34 H new ATOM 0 HG3 MET A 94 10.051 -4.033 7.082 1.00 5.34 H new ATOM 0 HE1 MET A 94 10.805 -6.623 9.811 1.00 43.03 H new ATOM 0 HE2 MET A 94 9.582 -5.750 8.858 1.00 43.03 H new ATOM 0 HE3 MET A 94 10.300 -7.250 8.224 1.00 43.03 H new ATOM 962 N GLY A 95 10.827 -7.318 2.735 1.00 72.11 N ATOM 963 CA GLY A 95 10.176 -8.255 1.817 1.00 62.24 C ATOM 964 C GLY A 95 10.981 -8.535 0.554 1.00 72.24 C ATOM 965 O GLY A 95 11.795 -7.710 0.128 1.00 64.22 O ATOM 0 H GLY A 95 11.317 -6.546 2.282 1.00 72.11 H new ATOM 0 HA2 GLY A 95 9.996 -9.195 2.339 1.00 62.24 H new ATOM 0 HA3 GLY A 95 9.202 -7.856 1.535 1.00 62.24 H new ATOM 969 N LYS A 96 10.747 -9.699 -0.053 1.00 24.53 N ATOM 970 CA LYS A 96 11.441 -10.091 -1.286 1.00 75.11 C ATOM 971 C LYS A 96 10.604 -9.764 -2.531 1.00 21.34 C ATOM 972 O LYS A 96 9.372 -9.733 -2.479 1.00 2.11 O ATOM 973 CB LYS A 96 11.778 -11.585 -1.251 1.00 21.21 C ATOM 974 CG LYS A 96 12.705 -11.973 -0.106 1.00 62.04 C ATOM 975 CD LYS A 96 14.052 -11.252 -0.193 1.00 0.34 C ATOM 976 CE LYS A 96 14.842 -11.669 -1.430 1.00 25.20 C ATOM 977 NZ LYS A 96 15.168 -13.117 -1.419 1.00 32.33 N ATOM 0 H LYS A 96 10.080 -10.391 0.289 1.00 24.53 H new ATOM 0 HA LYS A 96 12.366 -9.517 -1.346 1.00 75.11 H new ATOM 0 HB2 LYS A 96 10.853 -12.156 -1.168 1.00 21.21 H new ATOM 0 HB3 LYS A 96 12.243 -11.867 -2.196 1.00 21.21 H new ATOM 0 HG2 LYS A 96 12.227 -11.736 0.844 1.00 62.04 H new ATOM 0 HG3 LYS A 96 12.868 -13.051 -0.120 1.00 62.04 H new ATOM 0 HD2 LYS A 96 13.886 -10.175 -0.214 1.00 0.34 H new ATOM 0 HD3 LYS A 96 14.637 -11.467 0.701 1.00 0.34 H new ATOM 0 HE2 LYS A 96 14.266 -11.434 -2.325 1.00 25.20 H new ATOM 0 HE3 LYS A 96 15.764 -11.090 -1.484 1.00 25.20 H new ATOM 0 HZ1 LYS A 96 15.882 -13.318 -2.148 1.00 32.33 H new ATOM 0 HZ2 LYS A 96 15.543 -13.381 -0.486 1.00 32.33 H new ATOM 0 HZ3 LYS A 96 14.308 -13.668 -1.615 1.00 32.33 H new ATOM 991 N SER A 97 11.281 -9.551 -3.653 1.00 33.43 N ATOM 992 CA SER A 97 10.639 -9.038 -4.875 1.00 60.35 C ATOM 993 C SER A 97 9.839 -10.101 -5.655 1.00 50.54 C ATOM 994 O SER A 97 10.059 -11.308 -5.521 1.00 31.12 O ATOM 995 CB SER A 97 11.694 -8.419 -5.803 1.00 15.23 C ATOM 996 OG SER A 97 12.631 -9.393 -6.239 1.00 3.40 O ATOM 0 H SER A 97 12.281 -9.724 -3.750 1.00 33.43 H new ATOM 0 HA SER A 97 9.923 -8.286 -4.543 1.00 60.35 H new ATOM 0 HB2 SER A 97 11.204 -7.970 -6.667 1.00 15.23 H new ATOM 0 HB3 SER A 97 12.216 -7.617 -5.281 1.00 15.23 H new ATOM 0 HG SER A 97 13.290 -8.972 -6.830 1.00 3.40 H new ATOM 1002 N VAL A 98 8.890 -9.614 -6.455 1.00 54.43 N ATOM 1003 CA VAL A 98 8.128 -10.431 -7.412 1.00 54.04 C ATOM 1004 C VAL A 98 7.918 -9.657 -8.720 1.00 44.25 C ATOM 1005 O VAL A 98 7.809 -8.430 -8.717 1.00 2.11 O ATOM 1006 CB VAL A 98 6.738 -10.866 -6.858 1.00 35.32 C ATOM 1007 CG1 VAL A 98 6.834 -12.188 -6.100 1.00 4.41 C ATOM 1008 CG2 VAL A 98 6.138 -9.781 -5.961 1.00 12.24 C ATOM 0 H VAL A 98 8.622 -8.630 -6.460 1.00 54.43 H new ATOM 0 HA VAL A 98 8.717 -11.331 -7.589 1.00 54.04 H new ATOM 0 HB VAL A 98 6.077 -11.010 -7.712 1.00 35.32 H new ATOM 0 HG11 VAL A 98 5.849 -12.465 -5.726 1.00 4.41 H new ATOM 0 HG12 VAL A 98 7.200 -12.966 -6.770 1.00 4.41 H new ATOM 0 HG13 VAL A 98 7.523 -12.078 -5.262 1.00 4.41 H new ATOM 0 HG21 VAL A 98 5.168 -10.112 -5.589 1.00 12.24 H new ATOM 0 HG22 VAL A 98 6.805 -9.594 -5.120 1.00 12.24 H new ATOM 0 HG23 VAL A 98 6.012 -8.863 -6.535 1.00 12.24 H new ATOM 1018 N SER A 99 7.875 -10.376 -9.838 1.00 40.11 N ATOM 1019 CA SER A 99 7.664 -9.746 -11.149 1.00 2.23 C ATOM 1020 C SER A 99 6.171 -9.510 -11.421 1.00 63.03 C ATOM 1021 O SER A 99 5.309 -10.094 -10.764 1.00 74.11 O ATOM 1022 CB SER A 99 8.268 -10.609 -12.266 1.00 12.25 C ATOM 1023 OG SER A 99 8.173 -9.965 -13.529 1.00 54.20 O ATOM 0 H SER A 99 7.982 -11.390 -9.869 1.00 40.11 H new ATOM 0 HA SER A 99 8.167 -8.779 -11.134 1.00 2.23 H new ATOM 0 HB2 SER A 99 9.314 -10.818 -12.041 1.00 12.25 H new ATOM 0 HB3 SER A 99 7.752 -11.568 -12.306 1.00 12.25 H new ATOM 0 HG SER A 99 8.567 -10.538 -14.219 1.00 54.20 H new ATOM 1029 N ARG A 100 5.883 -8.666 -12.411 1.00 25.12 N ATOM 1030 CA ARG A 100 4.506 -8.287 -12.774 1.00 54.33 C ATOM 1031 C ARG A 100 3.568 -9.509 -12.934 1.00 72.42 C ATOM 1032 O ARG A 100 2.362 -9.411 -12.704 1.00 61.42 O ATOM 1033 CB ARG A 100 4.533 -7.477 -14.080 1.00 51.11 C ATOM 1034 CG ARG A 100 3.177 -6.926 -14.514 1.00 5.02 C ATOM 1035 CD ARG A 100 2.677 -5.822 -13.589 1.00 31.14 C ATOM 1036 NE ARG A 100 1.373 -5.311 -14.010 1.00 20.55 N ATOM 1037 CZ ARG A 100 1.183 -4.145 -14.570 1.00 32.41 C ATOM 1038 NH1 ARG A 100 2.173 -3.345 -14.804 1.00 42.14 N ATOM 1039 NH2 ARG A 100 -0.006 -3.780 -14.910 1.00 52.54 N ATOM 0 H ARG A 100 6.596 -8.221 -12.989 1.00 25.12 H new ATOM 0 HA ARG A 100 4.106 -7.687 -11.957 1.00 54.33 H new ATOM 0 HB2 ARG A 100 5.228 -6.645 -13.962 1.00 51.11 H new ATOM 0 HB3 ARG A 100 4.925 -8.109 -14.876 1.00 51.11 H new ATOM 0 HG2 ARG A 100 3.253 -6.539 -15.530 1.00 5.02 H new ATOM 0 HG3 ARG A 100 2.448 -7.736 -14.536 1.00 5.02 H new ATOM 0 HD2 ARG A 100 2.606 -6.205 -12.571 1.00 31.14 H new ATOM 0 HD3 ARG A 100 3.399 -5.006 -13.573 1.00 31.14 H new ATOM 0 HE ARG A 100 0.557 -5.904 -13.856 1.00 20.55 H new ATOM 0 HH11 ARG A 100 3.122 -3.620 -14.551 1.00 42.14 H new ATOM 0 HH12 ARG A 100 2.004 -2.439 -15.242 1.00 42.14 H new ATOM 0 HH21 ARG A 100 -0.798 -4.401 -14.742 1.00 52.54 H new ATOM 0 HH22 ARG A 100 -0.155 -2.870 -15.347 1.00 52.54 H new ATOM 1053 N SER A 101 4.126 -10.647 -13.339 1.00 41.10 N ATOM 1054 CA SER A 101 3.338 -11.874 -13.550 1.00 72.44 C ATOM 1055 C SER A 101 3.085 -12.657 -12.244 1.00 50.04 C ATOM 1056 O SER A 101 2.126 -13.424 -12.148 1.00 23.22 O ATOM 1057 CB SER A 101 4.050 -12.784 -14.565 1.00 1.44 C ATOM 1058 OG SER A 101 3.322 -13.983 -14.803 1.00 22.44 O ATOM 0 H SER A 101 5.122 -10.752 -13.530 1.00 41.10 H new ATOM 0 HA SER A 101 2.366 -11.564 -13.934 1.00 72.44 H new ATOM 0 HB2 SER A 101 4.182 -12.247 -15.504 1.00 1.44 H new ATOM 0 HB3 SER A 101 5.046 -13.031 -14.196 1.00 1.44 H new ATOM 0 HG SER A 101 3.804 -14.535 -15.454 1.00 22.44 H new ATOM 1064 N ASN A 102 3.935 -12.457 -11.237 1.00 60.23 N ATOM 1065 CA ASN A 102 3.848 -13.228 -9.983 1.00 43.31 C ATOM 1066 C ASN A 102 3.225 -12.416 -8.835 1.00 74.40 C ATOM 1067 O ASN A 102 3.393 -12.750 -7.661 1.00 3.11 O ATOM 1068 CB ASN A 102 5.240 -13.729 -9.580 1.00 34.54 C ATOM 1069 CG ASN A 102 5.806 -14.699 -10.597 1.00 33.34 C ATOM 1070 OD1 ASN A 102 5.571 -15.900 -10.526 1.00 30.22 O ATOM 1071 ND2 ASN A 102 6.560 -14.191 -11.550 1.00 63.54 N ATOM 0 H ASN A 102 4.691 -11.772 -11.258 1.00 60.23 H new ATOM 0 HA ASN A 102 3.190 -14.077 -10.169 1.00 43.31 H new ATOM 0 HB2 ASN A 102 5.915 -12.880 -9.473 1.00 34.54 H new ATOM 0 HB3 ASN A 102 5.183 -14.216 -8.606 1.00 34.54 H new ATOM 0 HD21 ASN A 102 6.968 -14.802 -12.258 1.00 63.54 H new ATOM 0 HD22 ASN A 102 6.736 -13.187 -11.580 1.00 63.54 H new ATOM 1078 N LEU A 103 2.490 -11.367 -9.182 1.00 42.43 N ATOM 1079 CA LEU A 103 1.803 -10.533 -8.189 1.00 5.42 C ATOM 1080 C LEU A 103 0.628 -11.278 -7.526 1.00 32.12 C ATOM 1081 O LEU A 103 -0.259 -11.799 -8.206 1.00 20.20 O ATOM 1082 CB LEU A 103 1.289 -9.248 -8.848 1.00 42.33 C ATOM 1083 CG LEU A 103 2.366 -8.373 -9.506 1.00 1.23 C ATOM 1084 CD1 LEU A 103 1.750 -7.100 -10.084 1.00 12.25 C ATOM 1085 CD2 LEU A 103 3.478 -8.043 -8.512 1.00 63.23 C ATOM 0 H LEU A 103 2.351 -11.068 -10.147 1.00 42.43 H new ATOM 0 HA LEU A 103 2.527 -10.288 -7.412 1.00 5.42 H new ATOM 0 HB2 LEU A 103 0.551 -9.517 -9.604 1.00 42.33 H new ATOM 0 HB3 LEU A 103 0.772 -8.654 -8.094 1.00 42.33 H new ATOM 0 HG LEU A 103 2.808 -8.936 -10.328 1.00 1.23 H new ATOM 0 HD11 LEU A 103 2.531 -6.495 -10.545 1.00 12.25 H new ATOM 0 HD12 LEU A 103 1.005 -7.365 -10.834 1.00 12.25 H new ATOM 0 HD13 LEU A 103 1.274 -6.531 -9.285 1.00 12.25 H new ATOM 0 HD21 LEU A 103 4.230 -7.423 -9.000 1.00 63.23 H new ATOM 0 HD22 LEU A 103 3.058 -7.504 -7.662 1.00 63.23 H new ATOM 0 HD23 LEU A 103 3.940 -8.967 -8.164 1.00 63.23 H new ATOM 1097 N ARG A 104 0.633 -11.323 -6.196 1.00 62.23 N ATOM 1098 CA ARG A 104 -0.463 -11.924 -5.424 1.00 21.32 C ATOM 1099 C ARG A 104 -1.387 -10.844 -4.841 1.00 62.22 C ATOM 1100 O ARG A 104 -1.371 -9.691 -5.276 1.00 34.03 O ATOM 1101 CB ARG A 104 0.096 -12.789 -4.285 1.00 34.30 C ATOM 1102 CG ARG A 104 0.783 -14.067 -4.746 1.00 43.45 C ATOM 1103 CD ARG A 104 -0.156 -14.958 -5.553 1.00 51.25 C ATOM 1104 NE ARG A 104 0.392 -16.296 -5.755 1.00 64.24 N ATOM 1105 CZ ARG A 104 0.030 -17.102 -6.715 1.00 42.43 C ATOM 1106 NH1 ARG A 104 -0.798 -16.711 -7.631 1.00 40.43 N ATOM 1107 NH2 ARG A 104 0.515 -18.298 -6.764 1.00 44.42 N ATOM 0 H ARG A 104 1.389 -10.948 -5.622 1.00 62.23 H new ATOM 0 HA ARG A 104 -1.043 -12.549 -6.103 1.00 21.32 H new ATOM 0 HB2 ARG A 104 0.807 -12.196 -3.710 1.00 34.30 H new ATOM 0 HB3 ARG A 104 -0.719 -13.052 -3.611 1.00 34.30 H new ATOM 0 HG2 ARG A 104 1.653 -13.813 -5.352 1.00 43.45 H new ATOM 0 HG3 ARG A 104 1.148 -14.616 -3.878 1.00 43.45 H new ATOM 0 HD2 ARG A 104 -1.114 -15.033 -5.039 1.00 51.25 H new ATOM 0 HD3 ARG A 104 -0.349 -14.496 -6.521 1.00 51.25 H new ATOM 0 HE ARG A 104 1.105 -16.622 -5.103 1.00 64.24 H new ATOM 0 HH11 ARG A 104 -1.175 -15.763 -7.607 1.00 40.43 H new ATOM 0 HH12 ARG A 104 -1.073 -17.351 -8.376 1.00 40.43 H new ATOM 0 HH21 ARG A 104 1.178 -18.609 -6.054 1.00 44.42 H new ATOM 0 HH22 ARG A 104 0.235 -18.932 -7.513 1.00 44.42 H new ATOM 1121 N THR A 105 -2.218 -11.233 -3.875 1.00 15.21 N ATOM 1122 CA THR A 105 -3.084 -10.288 -3.168 1.00 13.34 C ATOM 1123 C THR A 105 -2.452 -9.860 -1.835 1.00 23.52 C ATOM 1124 O THR A 105 -2.373 -10.653 -0.895 1.00 72.21 O ATOM 1125 CB THR A 105 -4.482 -10.894 -2.888 1.00 24.52 C ATOM 1126 OG1 THR A 105 -5.091 -11.338 -4.113 1.00 33.14 O ATOM 1127 CG2 THR A 105 -5.393 -9.877 -2.211 1.00 73.43 C ATOM 0 H THR A 105 -2.311 -12.200 -3.563 1.00 15.21 H new ATOM 0 HA THR A 105 -3.199 -9.419 -3.816 1.00 13.34 H new ATOM 0 HB THR A 105 -4.347 -11.745 -2.220 1.00 24.52 H new ATOM 0 HG1 THR A 105 -5.973 -11.720 -3.920 1.00 33.14 H new ATOM 0 HG21 THR A 105 -6.368 -10.328 -2.026 1.00 73.43 H new ATOM 0 HG22 THR A 105 -4.951 -9.566 -1.264 1.00 73.43 H new ATOM 0 HG23 THR A 105 -5.512 -9.008 -2.858 1.00 73.43 H new ATOM 1135 N GLY A 106 -2.001 -8.610 -1.762 1.00 22.30 N ATOM 1136 CA GLY A 106 -1.408 -8.085 -0.534 1.00 72.22 C ATOM 1137 C GLY A 106 0.109 -7.903 -0.613 1.00 32.21 C ATOM 1138 O GLY A 106 0.797 -7.928 0.411 1.00 62.43 O ATOM 0 H GLY A 106 -2.034 -7.944 -2.534 1.00 22.30 H new ATOM 0 HA2 GLY A 106 -1.869 -7.125 -0.300 1.00 72.22 H new ATOM 0 HA3 GLY A 106 -1.642 -8.760 0.289 1.00 72.22 H new ATOM 1142 N ASP A 107 0.636 -7.722 -1.825 1.00 24.30 N ATOM 1143 CA ASP A 107 2.073 -7.485 -2.015 1.00 10.33 C ATOM 1144 C ASP A 107 2.388 -5.977 -2.082 1.00 31.11 C ATOM 1145 O ASP A 107 1.585 -5.181 -2.579 1.00 31.23 O ATOM 1146 CB ASP A 107 2.576 -8.193 -3.287 1.00 4.23 C ATOM 1147 CG ASP A 107 2.487 -9.715 -3.203 1.00 1.13 C ATOM 1148 OD1 ASP A 107 2.385 -10.252 -2.077 1.00 51.50 O ATOM 1149 OD2 ASP A 107 2.544 -10.380 -4.261 1.00 72.23 O ATOM 0 H ASP A 107 0.094 -7.734 -2.689 1.00 24.30 H new ATOM 0 HA ASP A 107 2.594 -7.901 -1.153 1.00 10.33 H new ATOM 0 HB2 ASP A 107 1.994 -7.848 -4.141 1.00 4.23 H new ATOM 0 HB3 ASP A 107 3.611 -7.906 -3.470 1.00 4.23 H new ATOM 1154 N LEU A 108 3.559 -5.593 -1.571 1.00 20.10 N ATOM 1155 CA LEU A 108 3.977 -4.183 -1.547 1.00 33.44 C ATOM 1156 C LEU A 108 4.482 -3.715 -2.919 1.00 3.10 C ATOM 1157 O LEU A 108 5.568 -4.100 -3.354 1.00 62.50 O ATOM 1158 CB LEU A 108 5.086 -3.970 -0.506 1.00 32.32 C ATOM 1159 CG LEU A 108 4.747 -4.407 0.928 1.00 74.34 C ATOM 1160 CD1 LEU A 108 5.860 -4.003 1.891 1.00 61.41 C ATOM 1161 CD2 LEU A 108 3.408 -3.825 1.370 1.00 23.10 C ATOM 0 H LEU A 108 4.239 -6.237 -1.167 1.00 20.10 H new ATOM 0 HA LEU A 108 3.099 -3.594 -1.281 1.00 33.44 H new ATOM 0 HB2 LEU A 108 5.973 -4.513 -0.831 1.00 32.32 H new ATOM 0 HB3 LEU A 108 5.347 -2.912 -0.492 1.00 32.32 H new ATOM 0 HG LEU A 108 4.663 -5.494 0.942 1.00 74.34 H new ATOM 0 HD11 LEU A 108 5.601 -4.321 2.901 1.00 61.41 H new ATOM 0 HD12 LEU A 108 6.793 -4.479 1.589 1.00 61.41 H new ATOM 0 HD13 LEU A 108 5.982 -2.920 1.872 1.00 61.41 H new ATOM 0 HD21 LEU A 108 3.189 -4.148 2.388 1.00 23.10 H new ATOM 0 HD22 LEU A 108 3.456 -2.737 1.337 1.00 23.10 H new ATOM 0 HD23 LEU A 108 2.621 -4.174 0.702 1.00 23.10 H new ATOM 1173 N VAL A 109 3.703 -2.877 -3.595 1.00 5.11 N ATOM 1174 CA VAL A 109 4.107 -2.340 -4.900 1.00 60.50 C ATOM 1175 C VAL A 109 4.741 -0.944 -4.762 1.00 61.51 C ATOM 1176 O VAL A 109 4.080 0.029 -4.394 1.00 20.03 O ATOM 1177 CB VAL A 109 2.920 -2.303 -5.900 1.00 0.20 C ATOM 1178 CG1 VAL A 109 2.573 -3.716 -6.367 1.00 52.14 C ATOM 1179 CG2 VAL A 109 1.697 -1.631 -5.281 1.00 70.23 C ATOM 0 H VAL A 109 2.793 -2.553 -3.268 1.00 5.11 H new ATOM 0 HA VAL A 109 4.860 -3.018 -5.301 1.00 60.50 H new ATOM 0 HB VAL A 109 3.226 -1.713 -6.764 1.00 0.20 H new ATOM 0 HG11 VAL A 109 1.739 -3.673 -7.068 1.00 52.14 H new ATOM 0 HG12 VAL A 109 3.438 -4.159 -6.860 1.00 52.14 H new ATOM 0 HG13 VAL A 109 2.294 -4.325 -5.507 1.00 52.14 H new ATOM 0 HG21 VAL A 109 0.882 -1.620 -6.005 1.00 70.23 H new ATOM 0 HG22 VAL A 109 1.387 -2.185 -4.395 1.00 70.23 H new ATOM 0 HG23 VAL A 109 1.947 -0.608 -5.001 1.00 70.23 H new ATOM 1189 N LEU A 110 6.040 -0.870 -5.047 1.00 12.44 N ATOM 1190 CA LEU A 110 6.815 0.367 -4.894 1.00 24.23 C ATOM 1191 C LEU A 110 6.750 1.245 -6.153 1.00 14.30 C ATOM 1192 O LEU A 110 7.163 0.829 -7.242 1.00 74.43 O ATOM 1193 CB LEU A 110 8.280 0.027 -4.574 1.00 0.11 C ATOM 1194 CG LEU A 110 8.500 -0.774 -3.278 1.00 65.35 C ATOM 1195 CD1 LEU A 110 9.969 -1.157 -3.117 1.00 33.22 C ATOM 1196 CD2 LEU A 110 8.015 0.017 -2.064 1.00 63.35 C ATOM 0 H LEU A 110 6.586 -1.661 -5.389 1.00 12.44 H new ATOM 0 HA LEU A 110 6.376 0.932 -4.072 1.00 24.23 H new ATOM 0 HB2 LEU A 110 8.695 -0.540 -5.407 1.00 0.11 H new ATOM 0 HB3 LEU A 110 8.846 0.956 -4.508 1.00 0.11 H new ATOM 0 HG LEU A 110 7.915 -1.691 -3.346 1.00 65.35 H new ATOM 0 HD11 LEU A 110 10.099 -1.722 -2.194 1.00 33.22 H new ATOM 0 HD12 LEU A 110 10.280 -1.769 -3.964 1.00 33.22 H new ATOM 0 HD13 LEU A 110 10.578 -0.254 -3.078 1.00 33.22 H new ATOM 0 HD21 LEU A 110 8.180 -0.568 -1.159 1.00 63.35 H new ATOM 0 HD22 LEU A 110 8.567 0.954 -1.996 1.00 63.35 H new ATOM 0 HD23 LEU A 110 6.951 0.230 -2.170 1.00 63.35 H new ATOM 1208 N PHE A 111 6.251 2.467 -5.990 1.00 12.12 N ATOM 1209 CA PHE A 111 6.141 3.423 -7.097 1.00 21.31 C ATOM 1210 C PHE A 111 7.086 4.620 -6.912 1.00 14.11 C ATOM 1211 O PHE A 111 7.521 4.927 -5.800 1.00 43.10 O ATOM 1212 CB PHE A 111 4.698 3.928 -7.222 1.00 34.32 C ATOM 1213 CG PHE A 111 3.695 2.842 -7.509 1.00 25.13 C ATOM 1214 CD1 PHE A 111 3.592 2.292 -8.778 1.00 70.22 C ATOM 1215 CD2 PHE A 111 2.855 2.374 -6.511 1.00 64.41 C ATOM 1216 CE1 PHE A 111 2.672 1.298 -9.045 1.00 32.44 C ATOM 1217 CE2 PHE A 111 1.934 1.381 -6.774 1.00 63.32 C ATOM 1218 CZ PHE A 111 1.844 0.842 -8.043 1.00 62.40 C ATOM 0 H PHE A 111 5.913 2.824 -5.096 1.00 12.12 H new ATOM 0 HA PHE A 111 6.429 2.899 -8.008 1.00 21.31 H new ATOM 0 HB2 PHE A 111 4.418 4.432 -6.297 1.00 34.32 H new ATOM 0 HB3 PHE A 111 4.651 4.672 -8.017 1.00 34.32 H new ATOM 0 HD1 PHE A 111 4.239 2.646 -9.567 1.00 70.22 H new ATOM 0 HD2 PHE A 111 2.922 2.791 -5.517 1.00 64.41 H new ATOM 0 HE1 PHE A 111 2.602 0.879 -10.038 1.00 32.44 H new ATOM 0 HE2 PHE A 111 1.284 1.025 -5.988 1.00 63.32 H new ATOM 0 HZ PHE A 111 1.125 0.063 -8.249 1.00 62.40 H new ATOM 1228 N ARG A 112 7.408 5.286 -8.017 1.00 73.35 N ATOM 1229 CA ARG A 112 8.211 6.515 -7.982 1.00 10.32 C ATOM 1230 C ARG A 112 7.307 7.757 -7.859 1.00 70.33 C ATOM 1231 O ARG A 112 6.679 8.177 -8.830 1.00 3.42 O ATOM 1232 CB ARG A 112 9.078 6.604 -9.247 1.00 5.14 C ATOM 1233 CG ARG A 112 10.045 5.432 -9.412 1.00 62.14 C ATOM 1234 CD ARG A 112 10.806 5.496 -10.735 1.00 61.42 C ATOM 1235 NE ARG A 112 11.566 6.738 -10.879 1.00 1.55 N ATOM 1236 CZ ARG A 112 12.743 6.826 -11.441 1.00 33.15 C ATOM 1237 NH1 ARG A 112 13.343 5.776 -11.901 1.00 0.15 N ATOM 1238 NH2 ARG A 112 13.326 7.973 -11.540 1.00 64.12 N ATOM 0 H ARG A 112 7.126 4.998 -8.954 1.00 73.35 H new ATOM 0 HA ARG A 112 8.860 6.484 -7.107 1.00 10.32 H new ATOM 0 HB2 ARG A 112 8.427 6.653 -10.120 1.00 5.14 H new ATOM 0 HB3 ARG A 112 9.648 7.533 -9.222 1.00 5.14 H new ATOM 0 HG2 ARG A 112 10.756 5.430 -8.585 1.00 62.14 H new ATOM 0 HG3 ARG A 112 9.491 4.495 -9.358 1.00 62.14 H new ATOM 0 HD2 ARG A 112 11.486 4.647 -10.802 1.00 61.42 H new ATOM 0 HD3 ARG A 112 10.101 5.406 -11.562 1.00 61.42 H new ATOM 0 HE ARG A 112 11.148 7.595 -10.516 1.00 1.55 H new ATOM 0 HH11 ARG A 112 12.898 4.861 -11.828 1.00 0.15 H new ATOM 0 HH12 ARG A 112 14.261 5.863 -12.337 1.00 0.15 H new ATOM 0 HH21 ARG A 112 12.868 8.810 -11.180 1.00 64.12 H new ATOM 0 HH22 ARG A 112 14.244 8.042 -11.978 1.00 64.12 H new ATOM 1252 N ALA A 113 7.239 8.333 -6.659 1.00 34.40 N ATOM 1253 CA ALA A 113 6.360 9.480 -6.392 1.00 40.14 C ATOM 1254 C ALA A 113 7.097 10.815 -6.565 1.00 5.21 C ATOM 1255 O ALA A 113 8.099 11.075 -5.897 1.00 54.42 O ATOM 1256 CB ALA A 113 5.772 9.382 -4.988 1.00 63.20 C ATOM 0 H ALA A 113 7.782 8.026 -5.852 1.00 34.40 H new ATOM 0 HA ALA A 113 5.552 9.451 -7.122 1.00 40.14 H new ATOM 0 HB1 ALA A 113 5.123 10.238 -4.805 1.00 63.20 H new ATOM 0 HB2 ALA A 113 5.193 8.463 -4.899 1.00 63.20 H new ATOM 0 HB3 ALA A 113 6.579 9.375 -4.255 1.00 63.20 H new ATOM 1301 N ARG A 118 9.800 7.660 -2.439 1.00 53.20 N ATOM 1302 CA ARG A 118 9.599 6.209 -2.513 1.00 54.03 C ATOM 1303 C ARG A 118 8.201 5.830 -2.002 1.00 21.34 C ATOM 1304 O ARG A 118 7.977 5.713 -0.796 1.00 52.52 O ATOM 1305 CB ARG A 118 10.683 5.475 -1.706 1.00 65.44 C ATOM 1306 CG ARG A 118 12.091 5.664 -2.261 1.00 63.53 C ATOM 1307 CD ARG A 118 12.233 5.066 -3.657 1.00 50.23 C ATOM 1308 NE ARG A 118 12.094 3.608 -3.649 1.00 14.22 N ATOM 1309 CZ ARG A 118 11.559 2.914 -4.615 1.00 3.53 C ATOM 1310 NH1 ARG A 118 11.059 3.506 -5.656 1.00 12.44 N ATOM 1311 NH2 ARG A 118 11.522 1.624 -4.531 1.00 3.31 N ATOM 0 HA ARG A 118 9.677 5.904 -3.557 1.00 54.03 H new ATOM 0 HB2 ARG A 118 10.658 5.828 -0.675 1.00 65.44 H new ATOM 0 HB3 ARG A 118 10.450 4.410 -1.685 1.00 65.44 H new ATOM 0 HG2 ARG A 118 12.329 6.727 -2.295 1.00 63.53 H new ATOM 0 HG3 ARG A 118 12.812 5.197 -1.590 1.00 63.53 H new ATOM 0 HD2 ARG A 118 11.478 5.498 -4.314 1.00 50.23 H new ATOM 0 HD3 ARG A 118 13.206 5.335 -4.069 1.00 50.23 H new ATOM 0 HE ARG A 118 12.439 3.102 -2.833 1.00 14.22 H new ATOM 0 HH11 ARG A 118 11.082 4.523 -5.724 1.00 12.44 H new ATOM 0 HH12 ARG A 118 10.643 2.954 -6.406 1.00 12.44 H new ATOM 0 HH21 ARG A 118 11.910 1.155 -3.713 1.00 3.31 H new ATOM 0 HH22 ARG A 118 11.105 1.076 -5.283 1.00 3.31 H new ATOM 1325 N HIS A 119 7.266 5.650 -2.927 1.00 1.23 N ATOM 1326 CA HIS A 119 5.869 5.367 -2.581 1.00 31.32 C ATOM 1327 C HIS A 119 5.602 3.855 -2.532 1.00 62.45 C ATOM 1328 O HIS A 119 6.222 3.083 -3.265 1.00 13.22 O ATOM 1329 CB HIS A 119 4.949 6.036 -3.610 1.00 52.13 C ATOM 1330 CG HIS A 119 3.492 5.971 -3.265 1.00 14.32 C ATOM 1331 ND1 HIS A 119 2.917 6.892 -2.428 1.00 74.22 N ATOM 1332 CD2 HIS A 119 2.543 5.094 -3.675 1.00 43.03 C ATOM 1333 CE1 HIS A 119 1.644 6.563 -2.344 1.00 64.31 C ATOM 1334 NE2 HIS A 119 1.369 5.481 -3.083 1.00 64.35 N ATOM 0 H HIS A 119 7.447 5.694 -3.930 1.00 1.23 H new ATOM 0 HA HIS A 119 5.666 5.770 -1.589 1.00 31.32 H new ATOM 0 HB2 HIS A 119 5.240 7.081 -3.715 1.00 52.13 H new ATOM 0 HB3 HIS A 119 5.103 5.563 -4.580 1.00 52.13 H new ATOM 0 HD2 HIS A 119 2.685 4.254 -4.339 1.00 43.03 H new ATOM 0 HE1 HIS A 119 0.915 7.098 -1.754 1.00 64.31 H new ATOM 0 HE2 HIS A 119 0.460 5.031 -3.186 1.00 64.35 H new ATOM 1342 N VAL A 120 4.678 3.439 -1.669 1.00 63.33 N ATOM 1343 CA VAL A 120 4.306 2.023 -1.555 1.00 74.54 C ATOM 1344 C VAL A 120 2.780 1.852 -1.468 1.00 1.32 C ATOM 1345 O VAL A 120 2.109 2.502 -0.664 1.00 32.33 O ATOM 1346 CB VAL A 120 4.979 1.353 -0.324 1.00 14.01 C ATOM 1347 CG1 VAL A 120 4.593 2.060 0.973 1.00 12.11 C ATOM 1348 CG2 VAL A 120 4.625 -0.133 -0.256 1.00 22.13 C ATOM 0 H VAL A 120 4.171 4.059 -1.037 1.00 63.33 H new ATOM 0 HA VAL A 120 4.664 1.529 -2.458 1.00 74.54 H new ATOM 0 HB VAL A 120 6.058 1.445 -0.444 1.00 14.01 H new ATOM 0 HG11 VAL A 120 5.080 1.567 1.815 1.00 12.11 H new ATOM 0 HG12 VAL A 120 4.911 3.101 0.928 1.00 12.11 H new ATOM 0 HG13 VAL A 120 3.512 2.017 1.103 1.00 12.11 H new ATOM 0 HG21 VAL A 120 5.106 -0.582 0.613 1.00 22.13 H new ATOM 0 HG22 VAL A 120 3.544 -0.246 -0.171 1.00 22.13 H new ATOM 0 HG23 VAL A 120 4.972 -0.631 -1.161 1.00 22.13 H new ATOM 1358 N GLY A 121 2.237 0.981 -2.312 1.00 55.32 N ATOM 1359 CA GLY A 121 0.802 0.714 -2.304 1.00 43.53 C ATOM 1360 C GLY A 121 0.470 -0.739 -1.984 1.00 70.13 C ATOM 1361 O GLY A 121 1.280 -1.639 -2.221 1.00 35.14 O ATOM 0 H GLY A 121 2.764 0.451 -3.006 1.00 55.32 H new ATOM 0 HA2 GLY A 121 0.321 1.361 -1.570 1.00 43.53 H new ATOM 0 HA3 GLY A 121 0.384 0.971 -3.278 1.00 43.53 H new ATOM 1365 N ILE A 122 -0.724 -0.974 -1.448 1.00 51.13 N ATOM 1366 CA ILE A 122 -1.176 -2.332 -1.143 1.00 10.21 C ATOM 1367 C ILE A 122 -1.905 -2.942 -2.349 1.00 32.51 C ATOM 1368 O ILE A 122 -3.061 -2.610 -2.623 1.00 11.11 O ATOM 1369 CB ILE A 122 -2.117 -2.350 0.086 1.00 33.03 C ATOM 1370 CG1 ILE A 122 -1.464 -1.630 1.278 1.00 62.51 C ATOM 1371 CG2 ILE A 122 -2.484 -3.784 0.458 1.00 43.34 C ATOM 1372 CD1 ILE A 122 -2.346 -1.560 2.509 1.00 1.23 C ATOM 0 H ILE A 122 -1.397 -0.244 -1.215 1.00 51.13 H new ATOM 0 HA ILE A 122 -0.291 -2.926 -0.914 1.00 10.21 H new ATOM 0 HB ILE A 122 -3.032 -1.818 -0.174 1.00 33.03 H new ATOM 0 HG12 ILE A 122 -0.537 -2.142 1.536 1.00 62.51 H new ATOM 0 HG13 ILE A 122 -1.196 -0.617 0.976 1.00 62.51 H new ATOM 0 HG21 ILE A 122 -3.146 -3.777 1.324 1.00 43.34 H new ATOM 0 HG22 ILE A 122 -2.990 -4.260 -0.382 1.00 43.34 H new ATOM 0 HG23 ILE A 122 -1.578 -4.341 0.698 1.00 43.34 H new ATOM 0 HD11 ILE A 122 -1.817 -1.038 3.307 1.00 1.23 H new ATOM 0 HD12 ILE A 122 -3.263 -1.022 2.269 1.00 1.23 H new ATOM 0 HD13 ILE A 122 -2.593 -2.570 2.837 1.00 1.23 H new ATOM 1384 N TYR A 123 -1.220 -3.823 -3.077 1.00 74.23 N ATOM 1385 CA TYR A 123 -1.781 -4.415 -4.295 1.00 3.24 C ATOM 1386 C TYR A 123 -2.865 -5.458 -3.975 1.00 1.03 C ATOM 1387 O TYR A 123 -2.567 -6.571 -3.543 1.00 44.51 O ATOM 1388 CB TYR A 123 -0.667 -5.046 -5.139 1.00 14.10 C ATOM 1389 CG TYR A 123 -1.131 -5.507 -6.507 1.00 12.13 C ATOM 1390 CD1 TYR A 123 -1.679 -4.602 -7.410 1.00 54.44 C ATOM 1391 CD2 TYR A 123 -1.031 -6.838 -6.899 1.00 41.20 C ATOM 1392 CE1 TYR A 123 -2.110 -5.007 -8.655 1.00 11.00 C ATOM 1393 CE2 TYR A 123 -1.463 -7.250 -8.147 1.00 75.41 C ATOM 1394 CZ TYR A 123 -1.999 -6.329 -9.023 1.00 72.43 C ATOM 1395 OH TYR A 123 -2.436 -6.733 -10.268 1.00 10.32 O ATOM 0 H TYR A 123 -0.279 -4.143 -2.847 1.00 74.23 H new ATOM 0 HA TYR A 123 -2.253 -3.615 -4.865 1.00 3.24 H new ATOM 0 HB2 TYR A 123 0.139 -4.322 -5.262 1.00 14.10 H new ATOM 0 HB3 TYR A 123 -0.251 -5.897 -4.599 1.00 14.10 H new ATOM 0 HD1 TYR A 123 -1.768 -3.563 -7.130 1.00 54.44 H new ATOM 0 HD2 TYR A 123 -0.609 -7.562 -6.218 1.00 41.20 H new ATOM 0 HE1 TYR A 123 -2.534 -4.288 -9.341 1.00 11.00 H new ATOM 0 HE2 TYR A 123 -1.381 -8.288 -8.434 1.00 75.41 H new ATOM 0 HH TYR A 123 -2.285 -7.696 -10.371 1.00 10.32 H new ATOM 1405 N ILE A 124 -4.122 -5.087 -4.189 1.00 22.23 N ATOM 1406 CA ILE A 124 -5.255 -5.984 -3.926 1.00 21.30 C ATOM 1407 C ILE A 124 -5.592 -6.851 -5.152 1.00 61.10 C ATOM 1408 O ILE A 124 -6.356 -7.814 -5.057 1.00 3.35 O ATOM 1409 CB ILE A 124 -6.512 -5.185 -3.497 1.00 14.21 C ATOM 1410 CG1 ILE A 124 -6.941 -4.205 -4.609 1.00 44.31 C ATOM 1411 CG2 ILE A 124 -6.245 -4.437 -2.189 1.00 31.30 C ATOM 1412 CD1 ILE A 124 -8.164 -3.373 -4.269 1.00 60.12 C ATOM 0 H ILE A 124 -4.389 -4.169 -4.545 1.00 22.23 H new ATOM 0 HA ILE A 124 -4.953 -6.641 -3.110 1.00 21.30 H new ATOM 0 HB ILE A 124 -7.329 -5.888 -3.332 1.00 14.21 H new ATOM 0 HG12 ILE A 124 -6.109 -3.535 -4.828 1.00 44.31 H new ATOM 0 HG13 ILE A 124 -7.142 -4.771 -5.519 1.00 44.31 H new ATOM 0 HG21 ILE A 124 -7.136 -3.880 -1.900 1.00 31.30 H new ATOM 0 HG22 ILE A 124 -5.994 -5.152 -1.406 1.00 31.30 H new ATOM 0 HG23 ILE A 124 -5.414 -3.745 -2.329 1.00 31.30 H new ATOM 0 HD11 ILE A 124 -8.397 -2.712 -5.103 1.00 60.12 H new ATOM 0 HD12 ILE A 124 -9.011 -4.032 -4.080 1.00 60.12 H new ATOM 0 HD13 ILE A 124 -7.963 -2.777 -3.379 1.00 60.12 H new ATOM 1424 N GLY A 125 -5.021 -6.500 -6.301 1.00 60.45 N ATOM 1425 CA GLY A 125 -5.250 -7.256 -7.529 1.00 10.30 C ATOM 1426 C GLY A 125 -6.007 -6.462 -8.585 1.00 51.24 C ATOM 1427 O GLY A 125 -6.379 -5.313 -8.351 1.00 2.41 O ATOM 0 H GLY A 125 -4.398 -5.699 -6.408 1.00 60.45 H new ATOM 0 HA2 GLY A 125 -4.291 -7.572 -7.939 1.00 10.30 H new ATOM 0 HA3 GLY A 125 -5.809 -8.161 -7.293 1.00 10.30 H new ATOM 1431 N ASN A 126 -6.234 -7.076 -9.752 1.00 72.22 N ATOM 1432 CA ASN A 126 -6.929 -6.413 -10.869 1.00 32.32 C ATOM 1433 C ASN A 126 -6.136 -5.188 -11.369 1.00 31.50 C ATOM 1434 O ASN A 126 -6.694 -4.297 -12.009 1.00 51.41 O ATOM 1435 CB ASN A 126 -8.342 -5.974 -10.438 1.00 63.31 C ATOM 1436 CG ASN A 126 -9.127 -7.084 -9.759 1.00 75.24 C ATOM 1437 OD1 ASN A 126 -9.087 -7.239 -8.539 1.00 10.21 O ATOM 1438 ND2 ASN A 126 -9.841 -7.869 -10.537 1.00 62.10 N ATOM 0 H ASN A 126 -5.947 -8.034 -9.951 1.00 72.22 H new ATOM 0 HA ASN A 126 -7.008 -7.132 -11.685 1.00 32.32 H new ATOM 0 HB2 ASN A 126 -8.261 -5.125 -9.759 1.00 63.31 H new ATOM 0 HB3 ASN A 126 -8.893 -5.630 -11.314 1.00 63.31 H new ATOM 0 HD21 ASN A 126 -10.383 -8.633 -10.132 1.00 62.10 H new ATOM 0 HD22 ASN A 126 -9.853 -7.714 -11.545 1.00 62.10 H new ATOM 1445 N ASN A 127 -4.825 -5.163 -11.078 1.00 51.03 N ATOM 1446 CA ASN A 127 -3.979 -3.978 -11.323 1.00 14.03 C ATOM 1447 C ASN A 127 -4.405 -2.791 -10.446 1.00 65.51 C ATOM 1448 O ASN A 127 -3.959 -1.665 -10.648 1.00 12.52 O ATOM 1449 CB ASN A 127 -3.977 -3.588 -12.811 1.00 64.53 C ATOM 1450 CG ASN A 127 -3.103 -4.501 -13.655 1.00 5.34 C ATOM 1451 OD1 ASN A 127 -2.536 -4.078 -14.654 1.00 52.33 O ATOM 1452 ND2 ASN A 127 -2.984 -5.756 -13.275 1.00 62.22 N ATOM 0 H ASN A 127 -4.324 -5.953 -10.671 1.00 51.03 H new ATOM 0 HA ASN A 127 -2.960 -4.247 -11.046 1.00 14.03 H new ATOM 0 HB2 ASN A 127 -4.998 -3.616 -13.191 1.00 64.53 H new ATOM 0 HB3 ASN A 127 -3.627 -2.561 -12.913 1.00 64.53 H new ATOM 0 HD21 ASN A 127 -2.409 -6.401 -13.817 1.00 62.22 H new ATOM 0 HD22 ASN A 127 -3.467 -6.084 -12.438 1.00 62.22 H new ATOM 1459 N GLN A 128 -5.249 -3.063 -9.455 1.00 72.25 N ATOM 1460 CA GLN A 128 -5.717 -2.043 -8.513 1.00 3.32 C ATOM 1461 C GLN A 128 -5.008 -2.172 -7.155 1.00 31.35 C ATOM 1462 O GLN A 128 -4.693 -3.275 -6.696 1.00 11.05 O ATOM 1463 CB GLN A 128 -7.236 -2.152 -8.329 1.00 61.24 C ATOM 1464 CG GLN A 128 -8.030 -1.796 -9.583 1.00 14.04 C ATOM 1465 CD GLN A 128 -9.529 -2.005 -9.429 1.00 55.41 C ATOM 1466 OE1 GLN A 128 -9.919 -3.006 -8.665 1.00 63.44 O flip ATOM 1467 NE2 GLN A 128 -10.336 -1.289 -10.018 1.00 43.31 N flip ATOM 0 H GLN A 128 -5.629 -3.993 -9.280 1.00 72.25 H new ATOM 0 HA GLN A 128 -5.476 -1.064 -8.927 1.00 3.32 H new ATOM 0 HB2 GLN A 128 -7.485 -3.170 -8.028 1.00 61.24 H new ATOM 0 HB3 GLN A 128 -7.543 -1.495 -7.516 1.00 61.24 H new ATOM 0 HG2 GLN A 128 -7.841 -0.754 -9.840 1.00 14.04 H new ATOM 0 HG3 GLN A 128 -7.670 -2.400 -10.416 1.00 14.04 H new ATOM 0 HE21 GLN A 128 -10.005 -0.521 -10.603 1.00 43.31 H new ATOM 0 HE22 GLN A 128 -11.337 -1.462 -9.922 1.00 43.31 H new ATOM 1476 N PHE A 129 -4.764 -1.036 -6.518 1.00 14.32 N ATOM 1477 CA PHE A 129 -4.052 -0.997 -5.236 1.00 14.30 C ATOM 1478 C PHE A 129 -4.509 0.190 -4.378 1.00 51.50 C ATOM 1479 O PHE A 129 -4.752 1.283 -4.891 1.00 13.41 O ATOM 1480 CB PHE A 129 -2.535 -0.933 -5.481 1.00 22.35 C ATOM 1481 CG PHE A 129 -2.135 0.028 -6.578 1.00 70.42 C ATOM 1482 CD1 PHE A 129 -2.077 -0.402 -7.896 1.00 2.54 C ATOM 1483 CD2 PHE A 129 -1.832 1.353 -6.295 1.00 64.44 C ATOM 1484 CE1 PHE A 129 -1.721 0.465 -8.908 1.00 33.20 C ATOM 1485 CE2 PHE A 129 -1.475 2.227 -7.307 1.00 30.24 C ATOM 1486 CZ PHE A 129 -1.422 1.781 -8.616 1.00 0.00 C ATOM 0 H PHE A 129 -5.048 -0.120 -6.866 1.00 14.32 H new ATOM 0 HA PHE A 129 -4.287 -1.909 -4.688 1.00 14.30 H new ATOM 0 HB2 PHE A 129 -2.039 -0.641 -4.556 1.00 22.35 H new ATOM 0 HB3 PHE A 129 -2.175 -1.930 -5.735 1.00 22.35 H new ATOM 0 HD1 PHE A 129 -2.314 -1.429 -8.133 1.00 2.54 H new ATOM 0 HD2 PHE A 129 -1.875 1.705 -5.275 1.00 64.44 H new ATOM 0 HE1 PHE A 129 -1.676 0.115 -9.929 1.00 33.20 H new ATOM 0 HE2 PHE A 129 -1.238 3.255 -7.076 1.00 30.24 H new ATOM 0 HZ PHE A 129 -1.147 2.462 -9.408 1.00 0.00 H new ATOM 1496 N VAL A 130 -4.632 -0.038 -3.072 1.00 11.12 N ATOM 1497 CA VAL A 130 -5.020 1.021 -2.133 1.00 22.41 C ATOM 1498 C VAL A 130 -3.778 1.641 -1.468 1.00 32.41 C ATOM 1499 O VAL A 130 -2.880 0.928 -1.010 1.00 64.40 O ATOM 1500 CB VAL A 130 -6.001 0.492 -1.049 1.00 53.34 C ATOM 1501 CG1 VAL A 130 -5.379 -0.651 -0.248 1.00 15.14 C ATOM 1502 CG2 VAL A 130 -6.460 1.627 -0.131 1.00 10.11 C ATOM 0 H VAL A 130 -4.469 -0.946 -2.636 1.00 11.12 H new ATOM 0 HA VAL A 130 -5.535 1.792 -2.706 1.00 22.41 H new ATOM 0 HB VAL A 130 -6.880 0.094 -1.557 1.00 53.34 H new ATOM 0 HG11 VAL A 130 -6.090 -0.999 0.502 1.00 15.14 H new ATOM 0 HG12 VAL A 130 -5.129 -1.472 -0.920 1.00 15.14 H new ATOM 0 HG13 VAL A 130 -4.474 -0.298 0.246 1.00 15.14 H new ATOM 0 HG21 VAL A 130 -7.146 1.233 0.619 1.00 10.11 H new ATOM 0 HG22 VAL A 130 -5.594 2.067 0.364 1.00 10.11 H new ATOM 0 HG23 VAL A 130 -6.967 2.390 -0.721 1.00 10.11 H new ATOM 1512 N HIS A 131 -3.724 2.970 -1.426 1.00 62.34 N ATOM 1513 CA HIS A 131 -2.534 3.675 -0.939 1.00 73.11 C ATOM 1514 C HIS A 131 -2.868 5.093 -0.452 1.00 24.22 C ATOM 1515 O HIS A 131 -3.852 5.700 -0.880 1.00 72.42 O ATOM 1516 CB HIS A 131 -1.487 3.752 -2.060 1.00 21.02 C ATOM 1517 CG HIS A 131 -1.947 4.533 -3.259 1.00 2.32 C ATOM 1518 ND1 HIS A 131 -1.359 5.725 -3.609 1.00 11.21 N ATOM 1519 CD2 HIS A 131 -2.932 4.255 -4.149 1.00 13.32 C ATOM 1520 CE1 HIS A 131 -1.989 6.141 -4.691 1.00 52.32 C ATOM 1521 NE2 HIS A 131 -2.949 5.284 -5.055 1.00 51.34 N ATOM 0 H HIS A 131 -4.485 3.581 -1.721 1.00 62.34 H new ATOM 0 HA HIS A 131 -2.139 3.115 -0.092 1.00 73.11 H new ATOM 0 HB2 HIS A 131 -0.578 4.208 -1.667 1.00 21.02 H new ATOM 0 HB3 HIS A 131 -1.227 2.741 -2.373 1.00 21.02 H new ATOM 0 HD1 HIS A 131 -0.591 6.194 -3.129 1.00 11.21 H new ATOM 0 HD2 HIS A 131 -3.578 3.390 -4.145 1.00 13.32 H new ATOM 0 HE1 HIS A 131 -1.759 7.057 -5.216 1.00 52.32 H new ATOM 1529 N ALA A 132 -2.044 5.616 0.452 1.00 45.41 N ATOM 1530 CA ALA A 132 -2.159 7.011 0.879 1.00 73.12 C ATOM 1531 C ALA A 132 -1.411 7.928 -0.101 1.00 0.41 C ATOM 1532 O ALA A 132 -0.209 8.156 0.037 1.00 23.30 O ATOM 1533 CB ALA A 132 -1.629 7.183 2.299 1.00 75.41 C ATOM 0 H ALA A 132 -1.290 5.098 0.903 1.00 45.41 H new ATOM 0 HA ALA A 132 -3.212 7.292 0.878 1.00 73.12 H new ATOM 0 HB1 ALA A 132 -1.723 8.227 2.598 1.00 75.41 H new ATOM 0 HB2 ALA A 132 -2.205 6.557 2.981 1.00 75.41 H new ATOM 0 HB3 ALA A 132 -0.580 6.889 2.334 1.00 75.41 H new ATOM 1539 N SER A 133 -2.121 8.415 -1.115 1.00 64.51 N ATOM 1540 CA SER A 133 -1.515 9.262 -2.152 1.00 4.01 C ATOM 1541 C SER A 133 -1.079 10.620 -1.589 1.00 50.03 C ATOM 1542 O SER A 133 -1.730 11.182 -0.709 1.00 73.33 O ATOM 1543 CB SER A 133 -2.492 9.486 -3.313 1.00 43.52 C ATOM 1544 OG SER A 133 -3.602 10.269 -2.910 1.00 32.43 O ATOM 0 H SER A 133 -3.117 8.241 -1.245 1.00 64.51 H new ATOM 0 HA SER A 133 -0.632 8.737 -2.516 1.00 4.01 H new ATOM 0 HB2 SER A 133 -1.975 9.981 -4.135 1.00 43.52 H new ATOM 0 HB3 SER A 133 -2.840 8.524 -3.688 1.00 43.52 H new ATOM 0 HG SER A 133 -4.155 9.755 -2.285 1.00 32.43 H new ATOM 1550 N THR A 134 0.017 11.143 -2.133 1.00 63.21 N ATOM 1551 CA THR A 134 0.609 12.411 -1.683 1.00 31.43 C ATOM 1552 C THR A 134 -0.421 13.547 -1.579 1.00 64.10 C ATOM 1553 O THR A 134 -0.468 14.267 -0.578 1.00 71.10 O ATOM 1554 CB THR A 134 1.730 12.859 -2.646 1.00 42.43 C ATOM 1555 OG1 THR A 134 1.199 12.989 -3.974 1.00 24.54 O ATOM 1556 CG2 THR A 134 2.879 11.856 -2.654 1.00 61.25 C ATOM 0 H THR A 134 0.525 10.703 -2.900 1.00 63.21 H new ATOM 0 HA THR A 134 1.010 12.219 -0.688 1.00 31.43 H new ATOM 0 HB THR A 134 2.114 13.820 -2.303 1.00 42.43 H new ATOM 0 HG1 THR A 134 1.910 13.275 -4.584 1.00 24.54 H new ATOM 0 HG21 THR A 134 3.654 12.196 -3.340 1.00 61.25 H new ATOM 0 HG22 THR A 134 3.295 11.771 -1.650 1.00 61.25 H new ATOM 0 HG23 THR A 134 2.510 10.883 -2.977 1.00 61.25 H new ATOM 1564 N SER A 135 -1.233 13.713 -2.618 1.00 43.55 N ATOM 1565 CA SER A 135 -2.215 14.808 -2.668 1.00 14.23 C ATOM 1566 C SER A 135 -3.630 14.354 -2.273 1.00 21.42 C ATOM 1567 O SER A 135 -4.267 14.967 -1.416 1.00 32.41 O ATOM 1568 CB SER A 135 -2.254 15.430 -4.073 1.00 30.24 C ATOM 1569 OG SER A 135 -0.994 15.981 -4.439 1.00 71.40 O ATOM 0 H SER A 135 -1.236 13.108 -3.439 1.00 43.55 H new ATOM 0 HA SER A 135 -1.889 15.550 -1.939 1.00 14.23 H new ATOM 0 HB2 SER A 135 -2.544 14.671 -4.799 1.00 30.24 H new ATOM 0 HB3 SER A 135 -3.015 16.209 -4.105 1.00 30.24 H new ATOM 0 HG SER A 135 -1.054 16.366 -5.338 1.00 71.40 H new ATOM 1575 N SER A 136 -4.118 13.279 -2.891 1.00 65.31 N ATOM 1576 CA SER A 136 -5.531 12.871 -2.742 1.00 4.24 C ATOM 1577 C SER A 136 -5.805 12.092 -1.443 1.00 11.10 C ATOM 1578 O SER A 136 -6.961 11.924 -1.052 1.00 65.23 O ATOM 1579 CB SER A 136 -5.967 12.026 -3.948 1.00 65.14 C ATOM 1580 OG SER A 136 -5.813 12.745 -5.163 1.00 21.21 O ATOM 0 H SER A 136 -3.567 12.672 -3.498 1.00 65.31 H new ATOM 0 HA SER A 136 -6.113 13.791 -2.692 1.00 4.24 H new ATOM 0 HB2 SER A 136 -5.376 11.111 -3.987 1.00 65.14 H new ATOM 0 HB3 SER A 136 -7.009 11.728 -3.829 1.00 65.14 H new ATOM 0 HG SER A 136 -6.096 12.183 -5.914 1.00 21.21 H new ATOM 1586 N GLY A 137 -4.750 11.613 -0.786 1.00 42.11 N ATOM 1587 CA GLY A 137 -4.915 10.853 0.451 1.00 31.03 C ATOM 1588 C GLY A 137 -5.192 9.369 0.209 1.00 64.41 C ATOM 1589 O GLY A 137 -4.814 8.824 -0.831 1.00 34.13 O ATOM 0 H GLY A 137 -3.783 11.736 -1.085 1.00 42.11 H new ATOM 0 HA2 GLY A 137 -4.014 10.955 1.056 1.00 31.03 H new ATOM 0 HA3 GLY A 137 -5.736 11.281 1.027 1.00 31.03 H new ATOM 1593 N VAL A 138 -5.845 8.716 1.169 1.00 24.12 N ATOM 1594 CA VAL A 138 -6.139 7.279 1.077 1.00 75.12 C ATOM 1595 C VAL A 138 -7.134 6.965 -0.061 1.00 43.23 C ATOM 1596 O VAL A 138 -8.338 7.185 0.074 1.00 71.13 O ATOM 1597 CB VAL A 138 -6.703 6.739 2.419 1.00 54.45 C ATOM 1598 CG1 VAL A 138 -6.983 5.239 2.335 1.00 34.24 C ATOM 1599 CG2 VAL A 138 -5.746 7.051 3.572 1.00 41.32 C ATOM 0 H VAL A 138 -6.183 9.157 2.024 1.00 24.12 H new ATOM 0 HA VAL A 138 -5.195 6.781 0.855 1.00 75.12 H new ATOM 0 HB VAL A 138 -7.649 7.244 2.614 1.00 54.45 H new ATOM 0 HG11 VAL A 138 -7.377 4.888 3.289 1.00 34.24 H new ATOM 0 HG12 VAL A 138 -7.713 5.049 1.549 1.00 34.24 H new ATOM 0 HG13 VAL A 138 -6.058 4.708 2.107 1.00 34.24 H new ATOM 0 HG21 VAL A 138 -6.160 6.664 4.503 1.00 41.32 H new ATOM 0 HG22 VAL A 138 -4.781 6.581 3.381 1.00 41.32 H new ATOM 0 HG23 VAL A 138 -5.615 8.130 3.654 1.00 41.32 H new ATOM 1609 N ILE A 139 -6.615 6.454 -1.181 1.00 43.12 N ATOM 1610 CA ILE A 139 -7.440 6.123 -2.358 1.00 21.54 C ATOM 1611 C ILE A 139 -6.990 4.808 -3.019 1.00 53.11 C ATOM 1612 O ILE A 139 -6.026 4.176 -2.586 1.00 61.04 O ATOM 1613 CB ILE A 139 -7.378 7.249 -3.427 1.00 43.24 C ATOM 1614 CG1 ILE A 139 -5.926 7.461 -3.897 1.00 71.23 C ATOM 1615 CG2 ILE A 139 -7.975 8.551 -2.891 1.00 23.45 C ATOM 1616 CD1 ILE A 139 -5.777 8.485 -5.005 1.00 62.53 C ATOM 0 H ILE A 139 -5.621 6.258 -1.302 1.00 43.12 H new ATOM 0 HA ILE A 139 -8.461 6.015 -1.992 1.00 21.54 H new ATOM 0 HB ILE A 139 -7.976 6.940 -4.284 1.00 43.24 H new ATOM 0 HG12 ILE A 139 -5.322 7.773 -3.045 1.00 71.23 H new ATOM 0 HG13 ILE A 139 -5.524 6.508 -4.241 1.00 71.23 H new ATOM 0 HG21 ILE A 139 -7.918 9.321 -3.660 1.00 23.45 H new ATOM 0 HG22 ILE A 139 -9.017 8.388 -2.617 1.00 23.45 H new ATOM 0 HG23 ILE A 139 -7.416 8.873 -2.013 1.00 23.45 H new ATOM 0 HD11 ILE A 139 -4.726 8.575 -5.278 1.00 62.53 H new ATOM 0 HD12 ILE A 139 -6.352 8.166 -5.875 1.00 62.53 H new ATOM 0 HD13 ILE A 139 -6.146 9.451 -4.660 1.00 62.53 H new ATOM 1628 N ILE A 140 -7.695 4.404 -4.078 1.00 21.10 N ATOM 1629 CA ILE A 140 -7.307 3.234 -4.880 1.00 11.41 C ATOM 1630 C ILE A 140 -6.977 3.649 -6.328 1.00 23.24 C ATOM 1631 O ILE A 140 -7.706 4.431 -6.940 1.00 21.44 O ATOM 1632 CB ILE A 140 -8.430 2.159 -4.900 1.00 74.43 C ATOM 1633 CG1 ILE A 140 -8.756 1.692 -3.470 1.00 74.43 C ATOM 1634 CG2 ILE A 140 -8.028 0.970 -5.777 1.00 2.35 C ATOM 1635 CD1 ILE A 140 -9.847 0.640 -3.396 1.00 20.21 C ATOM 0 H ILE A 140 -8.542 4.870 -4.404 1.00 21.10 H new ATOM 0 HA ILE A 140 -6.420 2.805 -4.413 1.00 11.41 H new ATOM 0 HB ILE A 140 -9.326 2.609 -5.328 1.00 74.43 H new ATOM 0 HG12 ILE A 140 -7.850 1.293 -3.014 1.00 74.43 H new ATOM 0 HG13 ILE A 140 -9.058 2.555 -2.877 1.00 74.43 H new ATOM 0 HG21 ILE A 140 -8.829 0.230 -5.776 1.00 2.35 H new ATOM 0 HG22 ILE A 140 -7.852 1.313 -6.797 1.00 2.35 H new ATOM 0 HG23 ILE A 140 -7.117 0.519 -5.383 1.00 2.35 H new ATOM 0 HD11 ILE A 140 -10.017 0.365 -2.355 1.00 20.21 H new ATOM 0 HD12 ILE A 140 -10.768 1.040 -3.820 1.00 20.21 H new ATOM 0 HD13 ILE A 140 -9.541 -0.242 -3.959 1.00 20.21 H new ATOM 1647 N SER A 141 -5.876 3.131 -6.870 1.00 12.24 N ATOM 1648 CA SER A 141 -5.461 3.457 -8.248 1.00 42.32 C ATOM 1649 C SER A 141 -5.189 2.187 -9.071 1.00 35.21 C ATOM 1650 O SER A 141 -5.181 1.081 -8.533 1.00 73.34 O ATOM 1651 CB SER A 141 -4.208 4.346 -8.228 1.00 2.22 C ATOM 1652 OG SER A 141 -4.437 5.558 -7.519 1.00 31.12 O ATOM 0 H SER A 141 -5.253 2.486 -6.385 1.00 12.24 H new ATOM 0 HA SER A 141 -6.281 3.997 -8.722 1.00 42.32 H new ATOM 0 HB2 SER A 141 -3.384 3.803 -7.765 1.00 2.22 H new ATOM 0 HB3 SER A 141 -3.906 4.573 -9.250 1.00 2.22 H new ATOM 0 HG SER A 141 -3.958 5.532 -6.664 1.00 31.12 H new ATOM 1658 N SER A 142 -4.955 2.355 -10.377 1.00 35.40 N ATOM 1659 CA SER A 142 -4.738 1.212 -11.284 1.00 52.43 C ATOM 1660 C SER A 142 -3.418 1.335 -12.062 1.00 20.44 C ATOM 1661 O SER A 142 -3.045 2.422 -12.503 1.00 43.23 O ATOM 1662 CB SER A 142 -5.905 1.089 -12.281 1.00 54.04 C ATOM 1663 OG SER A 142 -7.138 0.856 -11.618 1.00 1.42 O ATOM 0 H SER A 142 -4.910 3.266 -10.833 1.00 35.40 H new ATOM 0 HA SER A 142 -4.685 0.318 -10.663 1.00 52.43 H new ATOM 0 HB2 SER A 142 -5.976 2.002 -12.872 1.00 54.04 H new ATOM 0 HB3 SER A 142 -5.706 0.274 -12.976 1.00 54.04 H new ATOM 0 HG SER A 142 -7.857 0.785 -12.280 1.00 1.42 H new ATOM 1669 N MET A 143 -2.725 0.206 -12.249 1.00 61.22 N ATOM 1670 CA MET A 143 -1.444 0.178 -12.980 1.00 2.14 C ATOM 1671 C MET A 143 -1.616 0.496 -14.475 1.00 11.42 C ATOM 1672 O MET A 143 -0.642 0.770 -15.174 1.00 2.25 O ATOM 1673 CB MET A 143 -0.765 -1.191 -12.824 1.00 73.11 C ATOM 1674 CG MET A 143 -0.315 -1.501 -11.404 1.00 52.23 C ATOM 1675 SD MET A 143 0.517 -3.097 -11.277 1.00 13.42 S ATOM 1676 CE MET A 143 0.964 -3.108 -9.544 1.00 50.45 C ATOM 0 H MET A 143 -3.027 -0.705 -11.905 1.00 61.22 H new ATOM 0 HA MET A 143 -0.816 0.954 -12.543 1.00 2.14 H new ATOM 0 HB2 MET A 143 -1.456 -1.967 -13.153 1.00 73.11 H new ATOM 0 HB3 MET A 143 0.100 -1.233 -13.486 1.00 73.11 H new ATOM 0 HG2 MET A 143 0.358 -0.716 -11.060 1.00 52.23 H new ATOM 0 HG3 MET A 143 -1.181 -1.492 -10.742 1.00 52.23 H new ATOM 0 HE1 MET A 143 1.343 -4.093 -9.272 1.00 50.45 H new ATOM 0 HE2 MET A 143 1.736 -2.360 -9.363 1.00 50.45 H new ATOM 0 HE3 MET A 143 0.086 -2.877 -8.940 1.00 50.45 H new ATOM 1686 N ASN A 144 -2.850 0.442 -14.964 1.00 52.12 N ATOM 1687 CA ASN A 144 -3.139 0.775 -16.365 1.00 71.45 C ATOM 1688 C ASN A 144 -3.018 2.291 -16.615 1.00 4.05 C ATOM 1689 O ASN A 144 -2.977 2.744 -17.762 1.00 23.44 O ATOM 1690 CB ASN A 144 -4.537 0.282 -16.748 1.00 52.51 C ATOM 1691 CG ASN A 144 -4.694 -1.223 -16.586 1.00 44.34 C ATOM 1692 OD1 ASN A 144 -3.742 -1.982 -16.731 1.00 21.45 O ATOM 1693 ND2 ASN A 144 -5.896 -1.665 -16.278 1.00 61.40 N ATOM 0 H ASN A 144 -3.668 0.172 -14.418 1.00 52.12 H new ATOM 0 HA ASN A 144 -2.402 0.272 -16.991 1.00 71.45 H new ATOM 0 HB2 ASN A 144 -5.278 0.789 -16.130 1.00 52.51 H new ATOM 0 HB3 ASN A 144 -4.743 0.555 -17.783 1.00 52.51 H new ATOM 0 HD21 ASN A 144 -6.055 -2.665 -16.153 1.00 61.40 H new ATOM 0 HD22 ASN A 144 -6.667 -1.008 -16.164 1.00 61.40 H new ATOM 1700 N GLU A 145 -2.970 3.071 -15.535 1.00 32.23 N ATOM 1701 CA GLU A 145 -2.767 4.521 -15.631 1.00 33.45 C ATOM 1702 C GLU A 145 -1.321 4.842 -16.041 1.00 61.01 C ATOM 1703 O GLU A 145 -0.374 4.266 -15.497 1.00 51.32 O ATOM 1704 CB GLU A 145 -3.093 5.192 -14.289 1.00 23.41 C ATOM 1705 CG GLU A 145 -4.559 5.084 -13.874 1.00 3.22 C ATOM 1706 CD GLU A 145 -5.492 5.806 -14.830 1.00 72.12 C ATOM 1707 OE1 GLU A 145 -5.590 7.049 -14.743 1.00 22.35 O ATOM 1708 OE2 GLU A 145 -6.121 5.138 -15.680 1.00 3.44 O ATOM 0 H GLU A 145 -3.069 2.724 -14.581 1.00 32.23 H new ATOM 0 HA GLU A 145 -3.438 4.910 -16.396 1.00 33.45 H new ATOM 0 HB2 GLU A 145 -2.473 4.744 -13.512 1.00 23.41 H new ATOM 0 HB3 GLU A 145 -2.820 6.246 -14.347 1.00 23.41 H new ATOM 0 HG2 GLU A 145 -4.841 4.032 -13.822 1.00 3.22 H new ATOM 0 HG3 GLU A 145 -4.681 5.497 -12.873 1.00 3.22 H new ATOM 1715 N PRO A 146 -1.130 5.784 -16.986 1.00 54.33 N ATOM 1716 CA PRO A 146 0.200 6.097 -17.551 1.00 52.10 C ATOM 1717 C PRO A 146 1.279 6.345 -16.487 1.00 21.43 C ATOM 1718 O PRO A 146 2.381 5.793 -16.564 1.00 1.25 O ATOM 1719 CB PRO A 146 -0.053 7.370 -18.369 1.00 24.40 C ATOM 1720 CG PRO A 146 -1.496 7.295 -18.740 1.00 23.21 C ATOM 1721 CD PRO A 146 -2.189 6.628 -17.579 1.00 3.24 C ATOM 0 HA PRO A 146 0.588 5.261 -18.132 1.00 52.10 H new ATOM 0 HB2 PRO A 146 0.161 8.266 -17.786 1.00 24.40 H new ATOM 0 HB3 PRO A 146 0.583 7.406 -19.254 1.00 24.40 H new ATOM 0 HG2 PRO A 146 -1.905 8.289 -18.920 1.00 23.21 H new ATOM 0 HG3 PRO A 146 -1.634 6.723 -19.658 1.00 23.21 H new ATOM 0 HD2 PRO A 146 -2.568 7.358 -16.864 1.00 3.24 H new ATOM 0 HD3 PRO A 146 -3.040 6.032 -17.908 1.00 3.24 H new ATOM 1729 N TYR A 147 0.959 7.175 -15.498 1.00 42.42 N ATOM 1730 CA TYR A 147 1.894 7.485 -14.417 1.00 71.30 C ATOM 1731 C TYR A 147 2.311 6.219 -13.650 1.00 21.50 C ATOM 1732 O TYR A 147 3.499 5.946 -13.482 1.00 21.31 O ATOM 1733 CB TYR A 147 1.270 8.501 -13.446 1.00 3.32 C ATOM 1734 CG TYR A 147 2.205 8.945 -12.335 1.00 31.43 C ATOM 1735 CD1 TYR A 147 3.154 9.938 -12.555 1.00 54.00 C ATOM 1736 CD2 TYR A 147 2.138 8.374 -11.067 1.00 50.35 C ATOM 1737 CE1 TYR A 147 4.009 10.343 -11.550 1.00 31.14 C ATOM 1738 CE2 TYR A 147 2.992 8.775 -10.057 1.00 52.44 C ATOM 1739 CZ TYR A 147 3.924 9.761 -10.302 1.00 24.01 C ATOM 1740 OH TYR A 147 4.780 10.164 -9.300 1.00 1.42 O ATOM 0 H TYR A 147 0.058 7.647 -15.422 1.00 42.42 H new ATOM 0 HA TYR A 147 2.787 7.917 -14.868 1.00 71.30 H new ATOM 0 HB2 TYR A 147 0.949 9.377 -14.009 1.00 3.32 H new ATOM 0 HB3 TYR A 147 0.376 8.063 -13.002 1.00 3.32 H new ATOM 0 HD1 TYR A 147 3.223 10.400 -13.529 1.00 54.00 H new ATOM 0 HD2 TYR A 147 1.406 7.605 -10.869 1.00 50.35 H new ATOM 0 HE1 TYR A 147 4.742 11.113 -11.740 1.00 31.14 H new ATOM 0 HE2 TYR A 147 2.930 8.318 -9.080 1.00 52.44 H new ATOM 0 HH TYR A 147 5.519 9.524 -9.224 1.00 1.42 H new ATOM 1750 N TRP A 148 1.328 5.431 -13.223 1.00 23.13 N ATOM 1751 CA TRP A 148 1.586 4.279 -12.349 1.00 5.43 C ATOM 1752 C TRP A 148 2.281 3.137 -13.105 1.00 11.01 C ATOM 1753 O TRP A 148 3.150 2.460 -12.558 1.00 2.24 O ATOM 1754 CB TRP A 148 0.281 3.778 -11.712 1.00 41.24 C ATOM 1755 CG TRP A 148 -0.381 4.793 -10.819 1.00 52.12 C ATOM 1756 CD1 TRP A 148 -1.609 5.366 -10.989 1.00 1.41 C ATOM 1757 CD2 TRP A 148 0.158 5.356 -9.614 1.00 51.22 C ATOM 1758 NE1 TRP A 148 -1.866 6.248 -9.969 1.00 13.15 N ATOM 1759 CE2 TRP A 148 -0.796 6.260 -9.113 1.00 51.23 C ATOM 1760 CE3 TRP A 148 1.355 5.183 -8.914 1.00 25.44 C ATOM 1761 CZ2 TRP A 148 -0.589 6.990 -7.943 1.00 42.54 C ATOM 1762 CZ3 TRP A 148 1.558 5.906 -7.753 1.00 64.22 C ATOM 1763 CH2 TRP A 148 0.591 6.799 -7.277 1.00 21.32 C ATOM 0 H TRP A 148 0.346 5.564 -13.465 1.00 23.13 H new ATOM 0 HA TRP A 148 2.258 4.614 -11.559 1.00 5.43 H new ATOM 0 HB2 TRP A 148 -0.414 3.494 -12.502 1.00 41.24 H new ATOM 0 HB3 TRP A 148 0.491 2.879 -11.133 1.00 41.24 H new ATOM 0 HD1 TRP A 148 -2.281 5.156 -11.808 1.00 1.41 H new ATOM 0 HE1 TRP A 148 -2.715 6.804 -9.865 1.00 13.15 H new ATOM 0 HE3 TRP A 148 2.108 4.497 -9.273 1.00 25.44 H new ATOM 0 HZ2 TRP A 148 -1.333 7.681 -7.576 1.00 42.54 H new ATOM 0 HZ3 TRP A 148 2.479 5.779 -7.204 1.00 64.22 H new ATOM 0 HH2 TRP A 148 0.780 7.348 -6.366 1.00 21.32 H new ATOM 1774 N LYS A 149 1.903 2.944 -14.366 1.00 22.50 N ATOM 1775 CA LYS A 149 2.498 1.902 -15.216 1.00 23.55 C ATOM 1776 C LYS A 149 4.036 2.004 -15.254 1.00 44.33 C ATOM 1777 O LYS A 149 4.745 1.043 -14.950 1.00 72.05 O ATOM 1778 CB LYS A 149 1.925 2.006 -16.637 1.00 33.14 C ATOM 1779 CG LYS A 149 2.499 0.991 -17.623 1.00 54.41 C ATOM 1780 CD LYS A 149 1.847 1.106 -18.999 1.00 25.43 C ATOM 1781 CE LYS A 149 1.961 2.518 -19.573 1.00 24.21 C ATOM 1782 NZ LYS A 149 1.353 2.629 -20.926 1.00 75.02 N ATOM 0 H LYS A 149 1.182 3.497 -14.830 1.00 22.50 H new ATOM 0 HA LYS A 149 2.245 0.932 -14.788 1.00 23.55 H new ATOM 0 HB2 LYS A 149 0.844 1.878 -16.590 1.00 33.14 H new ATOM 0 HB3 LYS A 149 2.111 3.010 -17.018 1.00 33.14 H new ATOM 0 HG2 LYS A 149 3.574 1.143 -17.716 1.00 54.41 H new ATOM 0 HG3 LYS A 149 2.352 -0.017 -17.234 1.00 54.41 H new ATOM 0 HD2 LYS A 149 2.316 0.398 -19.682 1.00 25.43 H new ATOM 0 HD3 LYS A 149 0.795 0.829 -18.926 1.00 25.43 H new ATOM 0 HE2 LYS A 149 1.473 3.222 -18.899 1.00 24.21 H new ATOM 0 HE3 LYS A 149 3.012 2.803 -19.625 1.00 24.21 H new ATOM 0 HZ1 LYS A 149 1.455 3.604 -21.273 1.00 75.02 H new ATOM 0 HZ2 LYS A 149 1.835 1.977 -21.578 1.00 75.02 H new ATOM 0 HZ3 LYS A 149 0.344 2.384 -20.874 1.00 75.02 H new ATOM 1796 N LYS A 150 4.544 3.181 -15.619 1.00 0.23 N ATOM 1797 CA LYS A 150 5.995 3.400 -15.709 1.00 4.20 C ATOM 1798 C LYS A 150 6.621 3.679 -14.331 1.00 64.13 C ATOM 1799 O LYS A 150 7.836 3.575 -14.160 1.00 41.54 O ATOM 1800 CB LYS A 150 6.297 4.557 -16.668 1.00 22.41 C ATOM 1801 CG LYS A 150 5.654 5.880 -16.263 1.00 14.22 C ATOM 1802 CD LYS A 150 6.014 7.003 -17.228 1.00 1.14 C ATOM 1803 CE LYS A 150 5.302 8.301 -16.869 1.00 75.24 C ATOM 1804 NZ LYS A 150 5.621 9.396 -17.823 1.00 52.11 N ATOM 0 H LYS A 150 3.979 3.996 -15.857 1.00 0.23 H new ATOM 0 HA LYS A 150 6.441 2.483 -16.094 1.00 4.20 H new ATOM 0 HB2 LYS A 150 7.377 4.693 -16.729 1.00 22.41 H new ATOM 0 HB3 LYS A 150 5.953 4.288 -17.666 1.00 22.41 H new ATOM 0 HG2 LYS A 150 4.571 5.763 -16.230 1.00 14.22 H new ATOM 0 HG3 LYS A 150 5.977 6.148 -15.257 1.00 14.22 H new ATOM 0 HD2 LYS A 150 7.092 7.163 -17.215 1.00 1.14 H new ATOM 0 HD3 LYS A 150 5.748 6.710 -18.244 1.00 1.14 H new ATOM 0 HE2 LYS A 150 4.225 8.132 -16.858 1.00 75.24 H new ATOM 0 HE3 LYS A 150 5.587 8.604 -15.862 1.00 75.24 H new ATOM 0 HZ1 LYS A 150 5.116 10.260 -17.541 1.00 52.11 H new ATOM 0 HZ2 LYS A 150 6.645 9.576 -17.815 1.00 52.11 H new ATOM 0 HZ3 LYS A 150 5.325 9.119 -18.781 1.00 52.11 H new ATOM 1818 N ARG A 151 5.801 4.067 -13.353 1.00 64.04 N ATOM 1819 CA ARG A 151 6.289 4.308 -11.983 1.00 44.44 C ATOM 1820 C ARG A 151 6.350 3.014 -11.162 1.00 2.35 C ATOM 1821 O ARG A 151 6.981 2.979 -10.103 1.00 72.52 O ATOM 1822 CB ARG A 151 5.418 5.361 -11.275 1.00 53.21 C ATOM 1823 CG ARG A 151 5.922 6.804 -11.400 1.00 70.55 C ATOM 1824 CD ARG A 151 6.217 7.231 -12.841 1.00 42.54 C ATOM 1825 NE ARG A 151 7.453 6.644 -13.361 1.00 33.14 N ATOM 1826 CZ ARG A 151 8.593 7.275 -13.428 1.00 42.12 C ATOM 1827 NH1 ARG A 151 8.697 8.504 -13.033 1.00 25.22 N ATOM 1828 NH2 ARG A 151 9.637 6.676 -13.897 1.00 5.22 N ATOM 0 H ARG A 151 4.800 4.222 -13.477 1.00 64.04 H new ATOM 0 HA ARG A 151 7.306 4.691 -12.061 1.00 44.44 H new ATOM 0 HB2 ARG A 151 4.408 5.308 -11.680 1.00 53.21 H new ATOM 0 HB3 ARG A 151 5.351 5.105 -10.218 1.00 53.21 H new ATOM 0 HG2 ARG A 151 5.177 7.478 -10.976 1.00 70.55 H new ATOM 0 HG3 ARG A 151 6.828 6.916 -10.805 1.00 70.55 H new ATOM 0 HD2 ARG A 151 5.384 6.939 -13.480 1.00 42.54 H new ATOM 0 HD3 ARG A 151 6.288 8.318 -12.887 1.00 42.54 H new ATOM 0 HE ARG A 151 7.421 5.680 -13.692 1.00 33.14 H new ATOM 0 HH11 ARG A 151 7.881 8.992 -12.663 1.00 25.22 H new ATOM 0 HH12 ARG A 151 9.595 8.984 -13.092 1.00 25.22 H new ATOM 0 HH21 ARG A 151 9.570 5.709 -14.215 1.00 5.22 H new ATOM 0 HH22 ARG A 151 10.528 7.170 -13.949 1.00 5.22 H new ATOM 1842 N TYR A 152 5.687 1.965 -11.646 1.00 21.53 N ATOM 1843 CA TYR A 152 5.785 0.635 -11.037 1.00 55.33 C ATOM 1844 C TYR A 152 7.235 0.130 -11.090 1.00 41.22 C ATOM 1845 O TYR A 152 7.673 -0.452 -12.081 1.00 71.55 O ATOM 1846 CB TYR A 152 4.837 -0.342 -11.751 1.00 60.01 C ATOM 1847 CG TYR A 152 4.941 -1.785 -11.280 1.00 50.01 C ATOM 1848 CD1 TYR A 152 4.618 -2.142 -9.973 1.00 31.40 C ATOM 1849 CD2 TYR A 152 5.363 -2.790 -12.146 1.00 3.15 C ATOM 1850 CE1 TYR A 152 4.712 -3.455 -9.548 1.00 31.12 C ATOM 1851 CE2 TYR A 152 5.456 -4.104 -11.729 1.00 73.54 C ATOM 1852 CZ TYR A 152 5.132 -4.430 -10.430 1.00 72.15 C ATOM 1853 OH TYR A 152 5.222 -5.740 -10.012 1.00 2.23 O ATOM 0 H TYR A 152 5.074 2.008 -12.460 1.00 21.53 H new ATOM 0 HA TYR A 152 5.487 0.700 -9.991 1.00 55.33 H new ATOM 0 HB2 TYR A 152 3.811 -0.001 -11.610 1.00 60.01 H new ATOM 0 HB3 TYR A 152 5.040 -0.308 -12.821 1.00 60.01 H new ATOM 0 HD1 TYR A 152 4.289 -1.382 -9.280 1.00 31.40 H new ATOM 0 HD2 TYR A 152 5.623 -2.538 -13.163 1.00 3.15 H new ATOM 0 HE1 TYR A 152 4.458 -3.716 -8.531 1.00 31.12 H new ATOM 0 HE2 TYR A 152 5.781 -4.871 -12.417 1.00 73.54 H new ATOM 0 HH TYR A 152 5.532 -6.300 -10.754 1.00 2.23 H new ATOM 1863 N ASN A 153 7.982 0.392 -10.022 1.00 32.02 N ATOM 1864 CA ASN A 153 9.404 0.047 -9.967 1.00 24.54 C ATOM 1865 C ASN A 153 9.607 -1.445 -9.660 1.00 52.24 C ATOM 1866 O ASN A 153 10.408 -2.124 -10.307 1.00 52.02 O ATOM 1867 CB ASN A 153 10.098 0.907 -8.900 1.00 51.35 C ATOM 1868 CG ASN A 153 11.611 0.841 -8.981 1.00 74.33 C ATOM 1869 OD1 ASN A 153 12.206 -0.099 -8.281 1.00 11.24 O flip ATOM 1870 ND2 ASN A 153 12.239 1.637 -9.661 1.00 70.12 N flip ATOM 0 H ASN A 153 7.627 0.843 -9.179 1.00 32.02 H new ATOM 0 HA ASN A 153 9.845 0.247 -10.943 1.00 24.54 H new ATOM 0 HB2 ASN A 153 9.778 1.943 -9.011 1.00 51.35 H new ATOM 0 HB3 ASN A 153 9.777 0.579 -7.911 1.00 51.35 H new ATOM 0 HD21 ASN A 153 11.746 2.354 -10.192 1.00 70.12 H new ATOM 0 HD22 ASN A 153 13.257 1.585 -9.698 1.00 70.12 H new ATOM 1877 N GLU A 154 8.870 -1.942 -8.669 1.00 24.13 N ATOM 1878 CA GLU A 154 8.994 -3.332 -8.211 1.00 11.34 C ATOM 1879 C GLU A 154 7.906 -3.671 -7.184 1.00 52.23 C ATOM 1880 O GLU A 154 7.272 -2.776 -6.627 1.00 33.14 O ATOM 1881 CB GLU A 154 10.384 -3.561 -7.592 1.00 40.51 C ATOM 1882 CG GLU A 154 10.689 -2.636 -6.415 1.00 44.42 C ATOM 1883 CD GLU A 154 12.130 -2.734 -5.933 1.00 62.02 C ATOM 1884 OE1 GLU A 154 13.017 -2.144 -6.587 1.00 13.51 O ATOM 1885 OE2 GLU A 154 12.381 -3.388 -4.905 1.00 12.10 O ATOM 0 H GLU A 154 8.172 -1.399 -8.160 1.00 24.13 H new ATOM 0 HA GLU A 154 8.869 -3.987 -9.074 1.00 11.34 H new ATOM 0 HB2 GLU A 154 10.458 -4.596 -7.259 1.00 40.51 H new ATOM 0 HB3 GLU A 154 11.143 -3.419 -8.361 1.00 40.51 H new ATOM 0 HG2 GLU A 154 10.479 -1.607 -6.706 1.00 44.42 H new ATOM 0 HG3 GLU A 154 10.019 -2.876 -5.589 1.00 44.42 H new ATOM 1892 N ALA A 155 7.691 -4.961 -6.943 1.00 42.32 N ATOM 1893 CA ALA A 155 6.740 -5.416 -5.923 1.00 40.00 C ATOM 1894 C ALA A 155 7.402 -6.418 -4.974 1.00 4.55 C ATOM 1895 O ALA A 155 8.305 -7.151 -5.373 1.00 65.33 O ATOM 1896 CB ALA A 155 5.516 -6.037 -6.583 1.00 41.35 C ATOM 0 H ALA A 155 8.163 -5.716 -7.441 1.00 42.32 H new ATOM 0 HA ALA A 155 6.422 -4.552 -5.339 1.00 40.00 H new ATOM 0 HB1 ALA A 155 4.818 -6.370 -5.815 1.00 41.35 H new ATOM 0 HB2 ALA A 155 5.030 -5.296 -7.218 1.00 41.35 H new ATOM 0 HB3 ALA A 155 5.823 -6.889 -7.189 1.00 41.35 H new ATOM 1902 N ARG A 156 6.962 -6.447 -3.717 1.00 32.24 N ATOM 1903 CA ARG A 156 7.567 -7.324 -2.709 1.00 41.32 C ATOM 1904 C ARG A 156 6.512 -7.982 -1.812 1.00 44.15 C ATOM 1905 O ARG A 156 5.688 -7.308 -1.200 1.00 40.11 O ATOM 1906 CB ARG A 156 8.576 -6.545 -1.848 1.00 62.14 C ATOM 1907 CG ARG A 156 9.745 -5.979 -2.650 1.00 63.51 C ATOM 1908 CD ARG A 156 10.805 -5.346 -1.760 1.00 43.04 C ATOM 1909 NE ARG A 156 11.921 -4.824 -2.546 1.00 22.53 N ATOM 1910 CZ ARG A 156 13.178 -5.111 -2.340 1.00 52.32 C ATOM 1911 NH1 ARG A 156 13.530 -5.955 -1.421 1.00 22.45 N ATOM 1912 NH2 ARG A 156 14.083 -4.569 -3.085 1.00 62.21 N ATOM 0 H ARG A 156 6.191 -5.876 -3.370 1.00 32.24 H new ATOM 0 HA ARG A 156 8.089 -8.116 -3.246 1.00 41.32 H new ATOM 0 HB2 ARG A 156 8.059 -5.727 -1.346 1.00 62.14 H new ATOM 0 HB3 ARG A 156 8.963 -7.203 -1.070 1.00 62.14 H new ATOM 0 HG2 ARG A 156 10.198 -6.776 -3.239 1.00 63.51 H new ATOM 0 HG3 ARG A 156 9.373 -5.234 -3.354 1.00 63.51 H new ATOM 0 HD2 ARG A 156 10.359 -4.539 -1.179 1.00 43.04 H new ATOM 0 HD3 ARG A 156 11.174 -6.085 -1.049 1.00 43.04 H new ATOM 0 HE ARG A 156 11.702 -4.188 -3.313 1.00 22.53 H new ATOM 0 HH11 ARG A 156 12.820 -6.407 -0.845 1.00 22.45 H new ATOM 0 HH12 ARG A 156 14.517 -6.167 -1.274 1.00 22.45 H new ATOM 0 HH21 ARG A 156 13.813 -3.923 -3.827 1.00 62.21 H new ATOM 0 HH22 ARG A 156 15.068 -4.787 -2.932 1.00 62.21 H new ATOM 1926 N ARG A 157 6.560 -9.308 -1.731 1.00 15.41 N ATOM 1927 CA ARG A 157 5.616 -10.077 -0.905 1.00 74.55 C ATOM 1928 C ARG A 157 6.103 -10.177 0.552 1.00 75.13 C ATOM 1929 O ARG A 157 7.188 -10.689 0.823 1.00 51.24 O ATOM 1930 CB ARG A 157 5.366 -11.486 -1.504 1.00 42.51 C ATOM 1931 CG ARG A 157 6.370 -11.923 -2.574 1.00 43.12 C ATOM 1932 CD ARG A 157 7.750 -12.224 -1.998 1.00 43.15 C ATOM 1933 NE ARG A 157 8.738 -12.467 -3.053 1.00 52.24 N ATOM 1934 CZ ARG A 157 9.589 -13.458 -3.056 1.00 50.52 C ATOM 1935 NH1 ARG A 157 9.588 -14.333 -2.106 1.00 63.52 N ATOM 1936 NH2 ARG A 157 10.445 -13.569 -4.017 1.00 63.43 N ATOM 0 H ARG A 157 7.243 -9.881 -2.227 1.00 15.41 H new ATOM 0 HA ARG A 157 4.667 -9.540 -0.904 1.00 74.55 H new ATOM 0 HB2 ARG A 157 5.380 -12.216 -0.695 1.00 42.51 H new ATOM 0 HB3 ARG A 157 4.365 -11.508 -1.936 1.00 42.51 H new ATOM 0 HG2 ARG A 157 5.991 -12.810 -3.081 1.00 43.12 H new ATOM 0 HG3 ARG A 157 6.458 -11.139 -3.326 1.00 43.12 H new ATOM 0 HD2 ARG A 157 8.076 -11.388 -1.380 1.00 43.15 H new ATOM 0 HD3 ARG A 157 7.690 -13.097 -1.348 1.00 43.15 H new ATOM 0 HE ARG A 157 8.763 -11.817 -3.839 1.00 52.24 H new ATOM 0 HH11 ARG A 157 8.917 -14.255 -1.341 1.00 63.52 H new ATOM 0 HH12 ARG A 157 10.258 -15.102 -2.120 1.00 63.52 H new ATOM 0 HH21 ARG A 157 10.456 -12.883 -4.772 1.00 63.43 H new ATOM 0 HH22 ARG A 157 11.110 -14.342 -4.021 1.00 63.43 H new ATOM 1950 N VAL A 158 5.292 -9.677 1.485 1.00 14.34 N ATOM 1951 CA VAL A 158 5.669 -9.632 2.906 1.00 14.33 C ATOM 1952 C VAL A 158 4.723 -10.456 3.799 1.00 31.02 C ATOM 1953 O VAL A 158 5.084 -10.817 4.921 1.00 13.13 O ATOM 1954 CB VAL A 158 5.700 -8.173 3.428 1.00 22.34 C ATOM 1955 CG1 VAL A 158 6.784 -7.365 2.719 1.00 70.44 C ATOM 1956 CG2 VAL A 158 4.335 -7.505 3.264 1.00 52.42 C ATOM 0 H VAL A 158 4.367 -9.296 1.286 1.00 14.34 H new ATOM 0 HA VAL A 158 6.665 -10.072 2.964 1.00 14.33 H new ATOM 0 HB VAL A 158 5.938 -8.202 4.491 1.00 22.34 H new ATOM 0 HG11 VAL A 158 6.786 -6.345 3.102 1.00 70.44 H new ATOM 0 HG12 VAL A 158 7.756 -7.823 2.900 1.00 70.44 H new ATOM 0 HG13 VAL A 158 6.584 -7.350 1.648 1.00 70.44 H new ATOM 0 HG21 VAL A 158 4.383 -6.482 3.638 1.00 52.42 H new ATOM 0 HG22 VAL A 158 4.060 -7.493 2.209 1.00 52.42 H new ATOM 0 HG23 VAL A 158 3.587 -8.062 3.828 1.00 52.42 H new ATOM 1966 N LEU A 159 3.522 -10.751 3.306 1.00 4.51 N ATOM 1967 CA LEU A 159 2.515 -11.471 4.097 1.00 70.44 C ATOM 1968 C LEU A 159 2.836 -12.968 4.215 1.00 73.20 C ATOM 1969 O LEU A 159 3.344 -13.589 3.274 1.00 11.35 O ATOM 1970 CB LEU A 159 1.118 -11.278 3.486 1.00 71.13 C ATOM 1971 CG LEU A 159 0.597 -9.830 3.488 1.00 4.24 C ATOM 1972 CD1 LEU A 159 -0.781 -9.751 2.839 1.00 72.13 C ATOM 1973 CD2 LEU A 159 0.554 -9.270 4.911 1.00 22.00 C ATOM 0 H LEU A 159 3.219 -10.505 2.364 1.00 4.51 H new ATOM 0 HA LEU A 159 2.532 -11.051 5.103 1.00 70.44 H new ATOM 0 HB2 LEU A 159 1.135 -11.640 2.458 1.00 71.13 H new ATOM 0 HB3 LEU A 159 0.411 -11.903 4.032 1.00 71.13 H new ATOM 0 HG LEU A 159 1.287 -9.222 2.903 1.00 4.24 H new ATOM 0 HD11 LEU A 159 -1.130 -8.719 2.851 1.00 72.13 H new ATOM 0 HD12 LEU A 159 -0.718 -10.101 1.809 1.00 72.13 H new ATOM 0 HD13 LEU A 159 -1.480 -10.377 3.393 1.00 72.13 H new ATOM 0 HD21 LEU A 159 0.183 -8.245 4.888 1.00 22.00 H new ATOM 0 HD22 LEU A 159 -0.108 -9.882 5.523 1.00 22.00 H new ATOM 0 HD23 LEU A 159 1.557 -9.283 5.337 1.00 22.00 H new