USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1136 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 80 TYR OH : rot -129:sc= 0.801 USER MOD Set 1.2: A 137 HIS : no HD1:sc= -0.76 K(o=0.041,f=0.78) USER MOD Set 2.1: A 75 THR OG1 : rot 8:sc= 0.479 USER MOD Set 2.2: A 78 THR OG1 : rot -140:sc= 1.65 USER MOD Set 3.1: A 5 ASN : amide:sc= 1.23 K(o=1.3,f=-3.4!) USER MOD Set 3.2: A 135 ASN : amide:sc= 0.06 K(o=1.3,f=-9.2!) USER MOD Single : A 4 SER OG : rot -30:sc= 0.178 USER MOD Single : A 14 SER OG : rot 73:sc= 1.27 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.024) USER MOD Single : A 18 SER OG : rot -83:sc= 0.771 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 26 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.63) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.21) USER MOD Single : A 48 GLN : amide:sc= -0.599 K(o=-0.6,f=-0.057) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 93:sc= 1.23 USER MOD Single : A 69 THR OG1 : rot 4:sc= 0.364 USER MOD Single : A 70 SER OG : rot 68:sc= 0.774 USER MOD Single : A 71 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 73 HIS : no HE2:sc= 0.873 K(o=0.87,f=-5!) USER MOD Single : A 81 GLN : amide:sc= -0.859 K(o=-0.86,f=-0.036) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 96 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.02) USER MOD Single : A 105 SER OG : rot 71:sc= 1.18 USER MOD Single : A 111 CYS SG : rot -75:sc= -0.127 USER MOD Single : A 114 SER OG : rot 86:sc= -2.39 USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0488) USER MOD Single : A 119 MET CE :methyl -153:sc= -7.36! (180deg=-8.72!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 178:sc= -3.64! (180deg=-3.72!) USER MOD Single : A 132 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 133 TYR OH : rot -105:sc= -0.517 USER MOD Single : A 143 GLN : amide:sc= -1.9! C(o=-1.9!,f=-7!) USER MOD Single : A 145 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 150 THR OG1 : rot 173:sc= 1.11 USER MOD Single : A 157 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot -94:sc= 1.23 USER MOD Single : A 165 LYS NZ :NH3+ -172:sc=-0.00112 (180deg=-0.0676) USER MOD Single : A 167 GLN : amide:sc= 0.765 K(o=0.76,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 5.396 -1.193 13.184 1.00 0.88 N ATOM 49 CA SER A 4 4.005 -1.153 12.744 1.00 0.77 C ATOM 50 C SER A 4 3.921 -0.755 11.273 1.00 0.62 C ATOM 51 O SER A 4 3.064 -1.235 10.533 1.00 0.64 O ATOM 52 CB SER A 4 3.211 -0.170 13.610 1.00 1.02 C ATOM 53 OG SER A 4 3.865 1.092 13.675 1.00 1.34 O ATOM 0 HA SER A 4 3.573 -2.148 12.854 1.00 0.77 H new ATOM 0 HB2 SER A 4 2.209 -0.044 13.199 1.00 1.02 H new ATOM 0 HB3 SER A 4 3.095 -0.576 14.615 1.00 1.02 H new ATOM 0 HG SER A 4 4.833 0.963 13.593 1.00 1.34 H new ATOM 59 N ASN A 5 4.840 0.107 10.846 1.00 0.59 N ATOM 60 CA ASN A 5 4.869 0.550 9.458 1.00 0.55 C ATOM 61 C ASN A 5 5.603 -0.467 8.599 1.00 0.43 C ATOM 62 O ASN A 5 5.330 -0.601 7.407 1.00 0.44 O ATOM 63 CB ASN A 5 5.523 1.931 9.317 1.00 0.65 C ATOM 64 CG ASN A 5 4.682 3.046 9.921 1.00 0.94 C ATOM 65 OD1 ASN A 5 3.459 2.942 10.004 1.00 1.71 O ATOM 66 ND2 ASN A 5 5.325 4.129 10.334 1.00 0.67 N ATOM 0 H ASN A 5 5.568 0.509 11.437 1.00 0.59 H new ATOM 0 HA ASN A 5 3.838 0.635 9.115 1.00 0.55 H new ATOM 0 HB2 ASN A 5 6.500 1.916 9.800 1.00 0.65 H new ATOM 0 HB3 ASN A 5 5.693 2.141 8.261 1.00 0.65 H new ATOM 0 HD21 ASN A 5 4.805 4.909 10.735 1.00 0.67 H new ATOM 0 HD22 ASN A 5 6.340 4.182 10.250 1.00 0.67 H new ATOM 73 N ARG A 6 6.532 -1.198 9.210 1.00 0.41 N ATOM 74 CA ARG A 6 7.208 -2.284 8.517 1.00 0.41 C ATOM 75 C ARG A 6 6.201 -3.385 8.202 1.00 0.37 C ATOM 76 O ARG A 6 6.311 -4.063 7.184 1.00 0.38 O ATOM 77 CB ARG A 6 8.357 -2.856 9.354 1.00 0.54 C ATOM 78 CG ARG A 6 9.281 -3.767 8.553 1.00 0.65 C ATOM 79 CD ARG A 6 10.230 -4.556 9.442 1.00 0.83 C ATOM 80 NE ARG A 6 9.530 -5.580 10.215 1.00 1.50 N ATOM 81 CZ ARG A 6 10.007 -6.804 10.444 1.00 2.14 C ATOM 82 NH1 ARG A 6 11.193 -7.165 9.967 1.00 2.16 N ATOM 83 NH2 ARG A 6 9.288 -7.667 11.151 1.00 3.18 N ATOM 0 H ARG A 6 6.830 -1.058 10.175 1.00 0.41 H new ATOM 0 HA ARG A 6 7.632 -1.889 7.594 1.00 0.41 H new ATOM 0 HB2 ARG A 6 8.939 -2.034 9.772 1.00 0.54 H new ATOM 0 HB3 ARG A 6 7.944 -3.414 10.194 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.681 -4.459 7.962 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.860 -3.167 7.851 1.00 0.65 H new ATOM 0 HD2 ARG A 6 10.997 -5.027 8.827 1.00 0.83 H new ATOM 0 HD3 ARG A 6 10.741 -3.874 10.122 1.00 0.83 H new ATOM 0 HE ARG A 6 8.618 -5.343 10.605 1.00 1.50 H new ATOM 0 HH11 ARG A 6 11.746 -6.504 9.421 1.00 2.16 H new ATOM 0 HH12 ARG A 6 11.551 -8.103 10.147 1.00 2.16 H new ATOM 0 HH21 ARG A 6 8.376 -7.393 11.516 1.00 3.18 H new ATOM 0 HH22 ARG A 6 9.648 -8.605 11.329 1.00 3.18 H new ATOM 97 N GLU A 7 5.210 -3.538 9.083 1.00 0.36 N ATOM 98 CA GLU A 7 4.142 -4.514 8.883 1.00 0.37 C ATOM 99 C GLU A 7 3.361 -4.196 7.620 1.00 0.29 C ATOM 100 O GLU A 7 2.911 -5.096 6.918 1.00 0.29 O ATOM 101 CB GLU A 7 3.173 -4.530 10.067 1.00 0.46 C ATOM 102 CG GLU A 7 3.786 -5.002 11.371 1.00 0.60 C ATOM 103 CD GLU A 7 2.750 -5.164 12.458 1.00 1.39 C ATOM 104 OE1 GLU A 7 2.503 -4.182 13.193 1.00 2.00 O ATOM 105 OE2 GLU A 7 2.193 -6.270 12.598 1.00 1.58 O ATOM 0 H GLU A 7 5.127 -2.996 9.943 1.00 0.36 H new ATOM 0 HA GLU A 7 4.612 -5.493 8.794 1.00 0.37 H new ATOM 0 HB2 GLU A 7 2.775 -3.525 10.209 1.00 0.46 H new ATOM 0 HB3 GLU A 7 2.329 -5.175 9.822 1.00 0.46 H new ATOM 0 HG2 GLU A 7 4.294 -5.953 11.210 1.00 0.60 H new ATOM 0 HG3 GLU A 7 4.543 -4.288 11.695 1.00 0.60 H new ATOM 112 N LEU A 8 3.206 -2.910 7.342 1.00 0.27 N ATOM 113 CA LEU A 8 2.469 -2.467 6.170 1.00 0.28 C ATOM 114 C LEU A 8 3.212 -2.886 4.917 1.00 0.28 C ATOM 115 O LEU A 8 2.614 -3.340 3.945 1.00 0.39 O ATOM 116 CB LEU A 8 2.299 -0.949 6.199 1.00 0.31 C ATOM 117 CG LEU A 8 1.777 -0.389 7.517 1.00 0.33 C ATOM 118 CD1 LEU A 8 1.643 1.120 7.430 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.449 -1.033 7.876 1.00 0.35 C ATOM 0 H LEU A 8 3.582 -2.154 7.914 1.00 0.27 H new ATOM 0 HA LEU A 8 1.481 -2.927 6.172 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.261 -0.486 5.979 1.00 0.31 H new ATOM 0 HB3 LEU A 8 1.615 -0.659 5.401 1.00 0.31 H new ATOM 0 HG LEU A 8 2.491 -0.623 8.307 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.269 1.507 8.378 1.00 0.36 H new ATOM 0 HD12 LEU A 8 2.617 1.560 7.217 1.00 0.36 H new ATOM 0 HD13 LEU A 8 0.946 1.378 6.633 1.00 0.36 H new ATOM 0 HD21 LEU A 8 0.089 -0.623 8.820 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.279 -0.829 7.090 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.582 -2.110 7.976 1.00 0.35 H new ATOM 131 N VAL A 9 4.526 -2.741 4.968 1.00 0.26 N ATOM 132 CA VAL A 9 5.394 -3.184 3.896 1.00 0.28 C ATOM 133 C VAL A 9 5.331 -4.703 3.773 1.00 0.29 C ATOM 134 O VAL A 9 4.908 -5.232 2.749 1.00 0.31 O ATOM 135 CB VAL A 9 6.846 -2.751 4.163 1.00 0.32 C ATOM 136 CG1 VAL A 9 7.769 -3.256 3.070 1.00 0.38 C ATOM 137 CG2 VAL A 9 6.936 -1.238 4.283 1.00 0.31 C ATOM 0 H VAL A 9 5.017 -2.314 5.753 1.00 0.26 H new ATOM 0 HA VAL A 9 5.055 -2.728 2.966 1.00 0.28 H new ATOM 0 HB VAL A 9 7.166 -3.192 5.107 1.00 0.32 H new ATOM 0 HG11 VAL A 9 8.790 -2.938 3.280 1.00 0.38 H new ATOM 0 HG12 VAL A 9 7.729 -4.345 3.034 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.452 -2.849 2.110 1.00 0.38 H new ATOM 0 HG21 VAL A 9 7.970 -0.949 4.472 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.594 -0.778 3.356 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.308 -0.900 5.108 1.00 0.31 H new ATOM 147 N VAL A 10 5.734 -5.386 4.840 1.00 0.30 N ATOM 148 CA VAL A 10 5.788 -6.844 4.872 1.00 0.32 C ATOM 149 C VAL A 10 4.475 -7.472 4.414 1.00 0.35 C ATOM 150 O VAL A 10 4.467 -8.315 3.516 1.00 0.36 O ATOM 151 CB VAL A 10 6.125 -7.347 6.289 1.00 0.37 C ATOM 152 CG1 VAL A 10 5.971 -8.856 6.385 1.00 0.42 C ATOM 153 CG2 VAL A 10 7.535 -6.934 6.672 1.00 0.38 C ATOM 0 H VAL A 10 6.033 -4.943 5.709 1.00 0.30 H new ATOM 0 HA VAL A 10 6.574 -7.146 4.180 1.00 0.32 H new ATOM 0 HB VAL A 10 5.422 -6.892 6.987 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.215 -9.183 7.396 1.00 0.42 H new ATOM 0 HG12 VAL A 10 4.942 -9.132 6.153 1.00 0.42 H new ATOM 0 HG13 VAL A 10 6.645 -9.336 5.675 1.00 0.42 H new ATOM 0 HG21 VAL A 10 7.760 -7.296 7.675 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.245 -7.362 5.964 1.00 0.38 H new ATOM 0 HG23 VAL A 10 7.614 -5.847 6.652 1.00 0.38 H new ATOM 163 N ASP A 11 3.372 -7.059 5.027 1.00 0.39 N ATOM 164 CA ASP A 11 2.067 -7.640 4.720 1.00 0.46 C ATOM 165 C ASP A 11 1.699 -7.381 3.263 1.00 0.44 C ATOM 166 O ASP A 11 1.099 -8.229 2.605 1.00 0.50 O ATOM 167 CB ASP A 11 0.984 -7.064 5.640 1.00 0.55 C ATOM 168 CG ASP A 11 -0.241 -7.955 5.742 1.00 0.71 C ATOM 169 OD1 ASP A 11 -0.972 -8.080 4.739 1.00 0.84 O ATOM 170 OD2 ASP A 11 -0.472 -8.551 6.813 1.00 0.92 O ATOM 0 H ASP A 11 3.353 -6.327 5.737 1.00 0.39 H new ATOM 0 HA ASP A 11 2.129 -8.716 4.886 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.402 -6.915 6.635 1.00 0.55 H new ATOM 0 HB3 ASP A 11 0.684 -6.084 5.270 1.00 0.55 H new ATOM 175 N PHE A 12 2.085 -6.215 2.755 1.00 0.41 N ATOM 176 CA PHE A 12 1.795 -5.860 1.371 1.00 0.42 C ATOM 177 C PHE A 12 2.623 -6.726 0.430 1.00 0.37 C ATOM 178 O PHE A 12 2.112 -7.231 -0.572 1.00 0.41 O ATOM 179 CB PHE A 12 2.082 -4.373 1.107 1.00 0.44 C ATOM 180 CG PHE A 12 1.469 -3.855 -0.168 1.00 0.48 C ATOM 181 CD1 PHE A 12 2.128 -4.010 -1.378 1.00 0.46 C ATOM 182 CD2 PHE A 12 0.239 -3.211 -0.159 1.00 0.62 C ATOM 183 CE1 PHE A 12 1.575 -3.536 -2.550 1.00 0.51 C ATOM 184 CE2 PHE A 12 -0.317 -2.733 -1.332 1.00 0.68 C ATOM 185 CZ PHE A 12 0.322 -2.900 -2.516 1.00 0.60 C ATOM 0 H PHE A 12 2.596 -5.504 3.278 1.00 0.41 H new ATOM 0 HA PHE A 12 0.735 -6.037 1.189 1.00 0.42 H new ATOM 0 HB2 PHE A 12 1.707 -3.785 1.945 1.00 0.44 H new ATOM 0 HB3 PHE A 12 3.161 -4.221 1.069 1.00 0.44 H new ATOM 0 HD1 PHE A 12 3.086 -4.508 -1.404 1.00 0.46 H new ATOM 0 HD2 PHE A 12 -0.289 -3.082 0.774 1.00 0.62 H new ATOM 0 HE1 PHE A 12 2.101 -3.653 -3.486 1.00 0.51 H new ATOM 0 HE2 PHE A 12 -1.268 -2.222 -1.304 1.00 0.68 H new ATOM 0 HZ PHE A 12 -0.130 -2.545 -3.430 1.00 0.60 H new ATOM 195 N LEU A 13 3.897 -6.916 0.767 1.00 0.33 N ATOM 196 CA LEU A 13 4.775 -7.753 -0.037 1.00 0.32 C ATOM 197 C LEU A 13 4.252 -9.182 -0.026 1.00 0.33 C ATOM 198 O LEU A 13 4.180 -9.845 -1.060 1.00 0.35 O ATOM 199 CB LEU A 13 6.214 -7.720 0.502 1.00 0.32 C ATOM 200 CG LEU A 13 6.778 -6.327 0.805 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.262 -6.404 1.129 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.532 -5.374 -0.352 1.00 0.38 C ATOM 0 H LEU A 13 4.340 -6.503 1.588 1.00 0.33 H new ATOM 0 HA LEU A 13 4.787 -7.369 -1.057 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.254 -8.315 1.415 1.00 0.32 H new ATOM 0 HB3 LEU A 13 6.866 -8.206 -0.224 1.00 0.32 H new ATOM 0 HG LEU A 13 6.256 -5.938 1.679 1.00 0.34 H new ATOM 0 HD11 LEU A 13 8.641 -5.404 1.341 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.411 -7.041 2.001 1.00 0.40 H new ATOM 0 HD13 LEU A 13 8.799 -6.823 0.278 1.00 0.40 H new ATOM 0 HD21 LEU A 13 6.942 -4.394 -0.110 1.00 0.38 H new ATOM 0 HD22 LEU A 13 7.017 -5.758 -1.249 1.00 0.38 H new ATOM 0 HD23 LEU A 13 5.460 -5.285 -0.528 1.00 0.38 H new ATOM 214 N SER A 14 3.845 -9.625 1.157 1.00 0.34 N ATOM 215 CA SER A 14 3.310 -10.964 1.344 1.00 0.38 C ATOM 216 C SER A 14 2.012 -11.158 0.562 1.00 0.39 C ATOM 217 O SER A 14 1.716 -12.261 0.111 1.00 0.41 O ATOM 218 CB SER A 14 3.058 -11.219 2.831 1.00 0.45 C ATOM 219 OG SER A 14 4.229 -10.995 3.598 1.00 1.14 O ATOM 0 H SER A 14 3.877 -9.067 2.010 1.00 0.34 H new ATOM 0 HA SER A 14 4.044 -11.676 0.967 1.00 0.38 H new ATOM 0 HB2 SER A 14 2.259 -10.566 3.184 1.00 0.45 H new ATOM 0 HB3 SER A 14 2.718 -12.245 2.974 1.00 0.45 H new ATOM 0 HG SER A 14 4.407 -10.033 3.649 1.00 1.14 H new ATOM 225 N TYR A 15 1.256 -10.077 0.393 1.00 0.42 N ATOM 226 CA TYR A 15 -0.048 -10.138 -0.264 1.00 0.47 C ATOM 227 C TYR A 15 0.128 -10.323 -1.770 1.00 0.45 C ATOM 228 O TYR A 15 -0.759 -10.831 -2.458 1.00 0.52 O ATOM 229 CB TYR A 15 -0.838 -8.855 0.032 1.00 0.55 C ATOM 230 CG TYR A 15 -2.332 -8.967 -0.209 1.00 0.66 C ATOM 231 CD1 TYR A 15 -3.169 -9.501 0.764 1.00 0.79 C ATOM 232 CD2 TYR A 15 -2.906 -8.527 -1.397 1.00 0.78 C ATOM 233 CE1 TYR A 15 -4.533 -9.598 0.561 1.00 0.96 C ATOM 234 CE2 TYR A 15 -4.271 -8.623 -1.607 1.00 0.94 C ATOM 235 CZ TYR A 15 -5.079 -9.157 -0.625 1.00 1.02 C ATOM 236 OH TYR A 15 -6.440 -9.252 -0.831 1.00 1.20 O ATOM 0 H TYR A 15 1.525 -9.143 0.703 1.00 0.42 H new ATOM 0 HA TYR A 15 -0.604 -10.991 0.124 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -0.671 -8.572 1.071 1.00 0.55 H new ATOM 0 HB3 TYR A 15 -0.442 -8.049 -0.586 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -2.746 -9.846 1.696 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -2.278 -8.104 -2.167 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -5.167 -10.017 1.328 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -4.702 -8.281 -2.536 1.00 0.94 H new ATOM 0 HH TYR A 15 -6.662 -8.896 -1.717 1.00 1.20 H new ATOM 246 N LYS A 16 1.278 -9.900 -2.277 1.00 0.40 N ATOM 247 CA LYS A 16 1.602 -10.084 -3.680 1.00 0.41 C ATOM 248 C LYS A 16 2.328 -11.405 -3.900 1.00 0.35 C ATOM 249 O LYS A 16 2.063 -12.109 -4.871 1.00 0.39 O ATOM 250 CB LYS A 16 2.437 -8.912 -4.198 1.00 0.49 C ATOM 251 CG LYS A 16 1.606 -7.689 -4.556 1.00 0.90 C ATOM 252 CD LYS A 16 0.748 -7.955 -5.784 1.00 0.83 C ATOM 253 CE LYS A 16 -0.144 -6.771 -6.124 1.00 1.35 C ATOM 254 NZ LYS A 16 -1.239 -6.589 -5.132 1.00 1.39 N ATOM 0 H LYS A 16 2.001 -9.427 -1.735 1.00 0.40 H new ATOM 0 HA LYS A 16 0.670 -10.114 -4.244 1.00 0.41 H new ATOM 0 HB2 LYS A 16 3.170 -8.635 -3.440 1.00 0.49 H new ATOM 0 HB3 LYS A 16 2.994 -9.234 -5.078 1.00 0.49 H new ATOM 0 HG2 LYS A 16 0.969 -7.418 -3.714 1.00 0.90 H new ATOM 0 HG3 LYS A 16 2.263 -6.840 -4.744 1.00 0.90 H new ATOM 0 HD2 LYS A 16 1.392 -8.180 -6.634 1.00 0.83 H new ATOM 0 HD3 LYS A 16 0.130 -8.836 -5.611 1.00 0.83 H new ATOM 0 HE2 LYS A 16 0.459 -5.864 -6.167 1.00 1.35 H new ATOM 0 HE3 LYS A 16 -0.574 -6.915 -7.115 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 -1.889 -5.849 -5.465 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 -1.759 -7.483 -5.021 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 -0.834 -6.308 -4.216 1.00 1.39 H new ATOM 268 N LEU A 17 3.238 -11.741 -2.993 1.00 0.30 N ATOM 269 CA LEU A 17 3.958 -13.007 -3.062 1.00 0.27 C ATOM 270 C LEU A 17 3.002 -14.194 -2.988 1.00 0.31 C ATOM 271 O LEU A 17 3.206 -15.205 -3.662 1.00 0.32 O ATOM 272 CB LEU A 17 4.988 -13.091 -1.937 1.00 0.25 C ATOM 273 CG LEU A 17 6.144 -12.105 -2.060 1.00 0.24 C ATOM 274 CD1 LEU A 17 6.950 -12.077 -0.780 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.034 -12.470 -3.235 1.00 0.25 C ATOM 0 H LEU A 17 3.495 -11.153 -2.200 1.00 0.30 H new ATOM 0 HA LEU A 17 4.473 -13.048 -4.022 1.00 0.27 H new ATOM 0 HB2 LEU A 17 4.483 -12.921 -0.986 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.392 -14.103 -1.907 1.00 0.25 H new ATOM 0 HG LEU A 17 5.732 -11.111 -2.235 1.00 0.24 H new ATOM 0 HD11 LEU A 17 7.772 -11.368 -0.883 1.00 0.29 H new ATOM 0 HD12 LEU A 17 6.309 -11.771 0.047 1.00 0.29 H new ATOM 0 HD13 LEU A 17 7.351 -13.071 -0.580 1.00 0.29 H new ATOM 0 HD21 LEU A 17 7.853 -11.755 -3.307 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.438 -13.472 -3.088 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.450 -12.446 -4.155 1.00 0.25 H new ATOM 287 N SER A 18 1.952 -14.063 -2.183 1.00 0.37 N ATOM 288 CA SER A 18 0.942 -15.110 -2.066 1.00 0.44 C ATOM 289 C SER A 18 0.206 -15.285 -3.391 1.00 0.47 C ATOM 290 O SER A 18 -0.159 -16.397 -3.772 1.00 0.51 O ATOM 291 CB SER A 18 -0.052 -14.765 -0.954 1.00 0.54 C ATOM 292 OG SER A 18 -0.542 -13.447 -1.114 1.00 1.26 O ATOM 0 H SER A 18 1.778 -13.243 -1.602 1.00 0.37 H new ATOM 0 HA SER A 18 1.439 -16.047 -1.815 1.00 0.44 H new ATOM 0 HB2 SER A 18 -0.882 -15.471 -0.969 1.00 0.54 H new ATOM 0 HB3 SER A 18 0.433 -14.863 0.017 1.00 0.54 H new ATOM 0 HG SER A 18 0.096 -12.812 -0.728 1.00 1.26 H new ATOM 298 N GLN A 19 0.010 -14.174 -4.094 1.00 0.48 N ATOM 299 CA GLN A 19 -0.631 -14.186 -5.401 1.00 0.53 C ATOM 300 C GLN A 19 0.275 -14.872 -6.417 1.00 0.48 C ATOM 301 O GLN A 19 -0.187 -15.445 -7.404 1.00 0.55 O ATOM 302 CB GLN A 19 -0.919 -12.751 -5.852 1.00 0.59 C ATOM 303 CG GLN A 19 -1.724 -12.647 -7.137 1.00 0.71 C ATOM 304 CD GLN A 19 -1.591 -11.283 -7.787 1.00 1.06 C ATOM 305 OE1 GLN A 19 -2.348 -10.359 -7.488 1.00 1.72 O ATOM 306 NE2 GLN A 19 -0.635 -11.155 -8.696 1.00 1.65 N ATOM 0 H GLN A 19 0.290 -13.246 -3.775 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.570 -14.735 -5.331 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.457 -12.234 -5.057 1.00 0.59 H new ATOM 0 HB3 GLN A 19 0.028 -12.229 -5.987 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -1.391 -13.415 -7.836 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -2.774 -12.845 -6.923 1.00 0.71 H new ATOM 0 HE21 GLN A 19 -0.029 -11.946 -8.914 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -0.505 -10.265 -9.178 1.00 1.65 H new ATOM 315 N LYS A 20 1.571 -14.804 -6.160 1.00 0.41 N ATOM 316 CA LYS A 20 2.570 -15.377 -7.049 1.00 0.40 C ATOM 317 C LYS A 20 2.889 -16.822 -6.664 1.00 0.44 C ATOM 318 O LYS A 20 3.704 -17.478 -7.312 1.00 0.48 O ATOM 319 CB LYS A 20 3.841 -14.528 -7.010 1.00 0.36 C ATOM 320 CG LYS A 20 3.622 -13.082 -7.436 1.00 0.68 C ATOM 321 CD LYS A 20 3.370 -12.965 -8.932 1.00 0.61 C ATOM 322 CE LYS A 20 3.081 -11.530 -9.350 1.00 1.06 C ATOM 323 NZ LYS A 20 2.934 -11.403 -10.825 1.00 1.87 N ATOM 0 H LYS A 20 1.960 -14.352 -5.332 1.00 0.41 H new ATOM 0 HA LYS A 20 2.167 -15.382 -8.062 1.00 0.40 H new ATOM 0 HB2 LYS A 20 4.247 -14.542 -5.998 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.590 -14.980 -7.660 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.774 -12.667 -6.891 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.495 -12.488 -7.167 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.240 -13.333 -9.476 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.528 -13.600 -9.209 1.00 0.61 H new ATOM 0 HE2 LYS A 20 2.168 -11.186 -8.863 1.00 1.06 H new ATOM 0 HE3 LYS A 20 3.888 -10.882 -9.008 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 2.738 -10.412 -11.070 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 3.814 -11.707 -11.289 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 2.147 -12.002 -11.148 1.00 1.87 H new ATOM 337 N GLY A 21 2.247 -17.304 -5.605 1.00 0.48 N ATOM 338 CA GLY A 21 2.402 -18.693 -5.209 1.00 0.54 C ATOM 339 C GLY A 21 3.556 -18.936 -4.247 1.00 0.53 C ATOM 340 O GLY A 21 3.972 -20.080 -4.060 1.00 0.67 O ATOM 0 H GLY A 21 1.621 -16.758 -5.013 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.477 -19.033 -4.744 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.552 -19.300 -6.102 1.00 0.54 H new ATOM 344 N TYR A 22 4.078 -17.883 -3.628 1.00 0.43 N ATOM 345 CA TYR A 22 5.186 -18.037 -2.686 1.00 0.42 C ATOM 346 C TYR A 22 4.722 -17.766 -1.256 1.00 0.43 C ATOM 347 O TYR A 22 3.739 -17.056 -1.040 1.00 0.46 O ATOM 348 CB TYR A 22 6.344 -17.094 -3.040 1.00 0.40 C ATOM 349 CG TYR A 22 6.888 -17.276 -4.443 1.00 0.48 C ATOM 350 CD1 TYR A 22 7.173 -18.539 -4.955 1.00 0.65 C ATOM 351 CD2 TYR A 22 7.111 -16.175 -5.261 1.00 0.47 C ATOM 352 CE1 TYR A 22 7.664 -18.695 -6.238 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.600 -16.325 -6.544 1.00 0.57 C ATOM 354 CZ TYR A 22 7.876 -17.584 -7.027 1.00 0.69 C ATOM 355 OH TYR A 22 8.363 -17.735 -8.305 1.00 0.81 O ATOM 0 H TYR A 22 3.758 -16.923 -3.757 1.00 0.43 H new ATOM 0 HA TYR A 22 5.538 -19.066 -2.756 1.00 0.42 H new ATOM 0 HB2 TYR A 22 6.007 -16.064 -2.924 1.00 0.40 H new ATOM 0 HB3 TYR A 22 7.153 -17.247 -2.326 1.00 0.40 H new ATOM 0 HD1 TYR A 22 7.008 -19.411 -4.340 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.898 -15.184 -4.887 1.00 0.47 H new ATOM 0 HE1 TYR A 22 7.880 -19.682 -6.620 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.765 -15.458 -7.166 1.00 0.57 H new ATOM 0 HH TYR A 22 8.454 -16.855 -8.727 1.00 0.81 H new ATOM 365 N SER A 23 5.426 -18.337 -0.287 1.00 0.45 N ATOM 366 CA SER A 23 5.110 -18.123 1.119 1.00 0.49 C ATOM 367 C SER A 23 6.170 -17.237 1.778 1.00 0.43 C ATOM 368 O SER A 23 7.362 -17.535 1.714 1.00 0.44 O ATOM 369 CB SER A 23 5.023 -19.466 1.846 1.00 0.59 C ATOM 370 OG SER A 23 4.092 -20.331 1.214 1.00 1.41 O ATOM 0 H SER A 23 6.222 -18.954 -0.450 1.00 0.45 H new ATOM 0 HA SER A 23 4.146 -17.619 1.186 1.00 0.49 H new ATOM 0 HB2 SER A 23 6.006 -19.937 1.865 1.00 0.59 H new ATOM 0 HB3 SER A 23 4.727 -19.303 2.882 1.00 0.59 H new ATOM 0 HG SER A 23 4.057 -21.183 1.697 1.00 1.41 H new ATOM 376 N TRP A 24 5.729 -16.163 2.426 1.00 0.43 N ATOM 377 CA TRP A 24 6.641 -15.192 3.034 1.00 0.41 C ATOM 378 C TRP A 24 7.431 -15.818 4.182 1.00 0.47 C ATOM 379 O TRP A 24 8.602 -15.494 4.397 1.00 0.53 O ATOM 380 CB TRP A 24 5.853 -13.968 3.531 1.00 0.44 C ATOM 381 CG TRP A 24 6.678 -12.977 4.305 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.733 -12.845 5.665 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.559 -11.976 3.772 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.594 -11.834 6.006 1.00 0.57 N ATOM 385 CE2 TRP A 24 8.112 -11.284 4.866 1.00 0.50 C ATOM 386 CE3 TRP A 24 7.936 -11.598 2.480 1.00 0.39 C ATOM 387 CZ2 TRP A 24 9.020 -10.240 4.707 1.00 0.51 C ATOM 388 CZ3 TRP A 24 8.835 -10.560 2.324 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.370 -9.892 3.431 1.00 0.48 C ATOM 0 H TRP A 24 4.741 -15.940 2.545 1.00 0.43 H new ATOM 0 HA TRP A 24 7.354 -14.872 2.274 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.409 -13.463 2.673 1.00 0.44 H new ATOM 0 HB3 TRP A 24 5.031 -14.310 4.160 1.00 0.44 H new ATOM 0 HD1 TRP A 24 6.179 -13.449 6.368 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.813 -11.539 6.958 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.532 -12.108 1.618 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.433 -9.723 5.561 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.130 -10.259 1.330 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.072 -9.087 3.275 1.00 0.48 H new ATOM 400 N SER A 25 6.798 -16.731 4.904 1.00 0.54 N ATOM 401 CA SER A 25 7.433 -17.376 6.045 1.00 0.63 C ATOM 402 C SER A 25 8.557 -18.319 5.609 1.00 0.63 C ATOM 403 O SER A 25 9.364 -18.754 6.428 1.00 0.75 O ATOM 404 CB SER A 25 6.381 -18.129 6.850 1.00 0.75 C ATOM 405 OG SER A 25 5.512 -18.845 5.989 1.00 1.20 O ATOM 0 H SER A 25 5.844 -17.042 4.720 1.00 0.54 H new ATOM 0 HA SER A 25 7.886 -16.605 6.669 1.00 0.63 H new ATOM 0 HB2 SER A 25 6.868 -18.819 7.540 1.00 0.75 H new ATOM 0 HB3 SER A 25 5.806 -17.427 7.454 1.00 0.75 H new ATOM 0 HG SER A 25 4.844 -19.324 6.523 1.00 1.20 H new ATOM 411 N GLN A 26 8.615 -18.622 4.315 1.00 0.61 N ATOM 412 CA GLN A 26 9.667 -19.471 3.775 1.00 0.73 C ATOM 413 C GLN A 26 10.949 -18.665 3.568 1.00 0.79 C ATOM 414 O GLN A 26 12.042 -19.222 3.503 1.00 0.93 O ATOM 415 CB GLN A 26 9.205 -20.110 2.454 1.00 0.80 C ATOM 416 CG GLN A 26 10.266 -20.962 1.758 1.00 1.25 C ATOM 417 CD GLN A 26 10.765 -22.112 2.623 1.00 1.53 C ATOM 418 OE1 GLN A 26 10.032 -22.635 3.461 1.00 1.91 O ATOM 419 NE2 GLN A 26 12.012 -22.516 2.428 1.00 2.26 N ATOM 0 H GLN A 26 7.944 -18.291 3.622 1.00 0.61 H new ATOM 0 HA GLN A 26 9.878 -20.267 4.489 1.00 0.73 H new ATOM 0 HB2 GLN A 26 8.331 -20.730 2.651 1.00 0.80 H new ATOM 0 HB3 GLN A 26 8.888 -19.319 1.774 1.00 0.80 H new ATOM 0 HG2 GLN A 26 9.853 -21.363 0.833 1.00 1.25 H new ATOM 0 HG3 GLN A 26 11.109 -20.329 1.482 1.00 1.25 H new ATOM 0 HE21 GLN A 26 12.592 -22.059 1.724 1.00 2.26 H new ATOM 0 HE22 GLN A 26 12.392 -23.284 2.982 1.00 2.26 H new ATOM 644 N GLU A 42 -3.406 1.226 14.167 1.00 1.02 N ATOM 645 CA GLU A 42 -3.378 1.877 12.863 1.00 0.87 C ATOM 646 C GLU A 42 -3.054 0.875 11.758 1.00 0.73 C ATOM 647 O GLU A 42 -3.605 0.953 10.660 1.00 0.63 O ATOM 648 CB GLU A 42 -2.334 2.998 12.856 1.00 1.05 C ATOM 649 CG GLU A 42 -2.360 3.851 11.601 1.00 1.53 C ATOM 650 CD GLU A 42 -3.631 4.660 11.483 1.00 2.12 C ATOM 651 OE1 GLU A 42 -3.739 5.690 12.177 1.00 2.42 O ATOM 652 OE2 GLU A 42 -4.526 4.270 10.708 1.00 2.82 O ATOM 0 HA GLU A 42 -4.366 2.297 12.675 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -2.496 3.638 13.723 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -1.342 2.559 12.965 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -1.503 4.524 11.604 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -2.258 3.209 10.726 1.00 1.53 H new ATOM 659 N SER A 43 -2.179 -0.075 12.075 1.00 0.79 N ATOM 660 CA SER A 43 -1.697 -1.055 11.106 1.00 0.75 C ATOM 661 C SER A 43 -2.841 -1.776 10.394 1.00 0.67 C ATOM 662 O SER A 43 -2.738 -2.087 9.212 1.00 0.62 O ATOM 663 CB SER A 43 -0.797 -2.078 11.803 1.00 0.94 C ATOM 664 OG SER A 43 0.173 -1.435 12.613 1.00 1.14 O ATOM 0 H SER A 43 -1.785 -0.187 13.009 1.00 0.79 H new ATOM 0 HA SER A 43 -1.129 -0.512 10.350 1.00 0.75 H new ATOM 0 HB2 SER A 43 -1.404 -2.743 12.416 1.00 0.94 H new ATOM 0 HB3 SER A 43 -0.300 -2.698 11.057 1.00 0.94 H new ATOM 0 HG SER A 43 0.734 -2.110 13.049 1.00 1.14 H new ATOM 670 N GLU A 44 -3.937 -2.019 11.106 1.00 0.72 N ATOM 671 CA GLU A 44 -5.073 -2.737 10.531 1.00 0.73 C ATOM 672 C GLU A 44 -5.784 -1.892 9.474 1.00 0.61 C ATOM 673 O GLU A 44 -6.384 -2.423 8.538 1.00 0.66 O ATOM 674 CB GLU A 44 -6.072 -3.138 11.621 1.00 0.85 C ATOM 675 CG GLU A 44 -5.531 -4.144 12.626 1.00 1.32 C ATOM 676 CD GLU A 44 -6.559 -4.522 13.673 1.00 1.96 C ATOM 677 OE1 GLU A 44 -6.622 -3.850 14.725 1.00 2.98 O ATOM 678 OE2 GLU A 44 -7.309 -5.495 13.453 1.00 1.90 O ATOM 0 H GLU A 44 -4.064 -1.732 12.076 1.00 0.72 H new ATOM 0 HA GLU A 44 -4.682 -3.637 10.056 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -6.388 -2.242 12.155 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.960 -3.557 11.147 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -5.206 -5.041 12.099 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -4.652 -3.726 13.117 1.00 1.32 H new ATOM 685 N ALA A 45 -5.690 -0.579 9.614 1.00 0.53 N ATOM 686 CA ALA A 45 -6.409 0.337 8.745 1.00 0.45 C ATOM 687 C ALA A 45 -5.579 0.704 7.524 1.00 0.39 C ATOM 688 O ALA A 45 -6.032 0.554 6.391 1.00 0.39 O ATOM 689 CB ALA A 45 -6.796 1.587 9.512 1.00 0.48 C ATOM 0 H ALA A 45 -5.119 -0.123 10.326 1.00 0.53 H new ATOM 0 HA ALA A 45 -7.313 -0.164 8.398 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -7.334 2.267 8.852 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -7.435 1.315 10.352 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.897 2.078 9.884 1.00 0.48 H new ATOM 695 N VAL A 46 -4.361 1.173 7.756 1.00 0.36 N ATOM 696 CA VAL A 46 -3.484 1.584 6.669 1.00 0.32 C ATOM 697 C VAL A 46 -3.133 0.406 5.763 1.00 0.34 C ATOM 698 O VAL A 46 -2.990 0.564 4.550 1.00 0.35 O ATOM 699 CB VAL A 46 -2.206 2.266 7.198 1.00 0.33 C ATOM 700 CG1 VAL A 46 -1.663 1.542 8.412 1.00 0.34 C ATOM 701 CG2 VAL A 46 -1.155 2.344 6.108 1.00 0.34 C ATOM 0 H VAL A 46 -3.958 1.278 8.687 1.00 0.36 H new ATOM 0 HA VAL A 46 -4.030 2.316 6.075 1.00 0.32 H new ATOM 0 HB VAL A 46 -2.466 3.280 7.502 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -0.762 2.045 8.763 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.413 1.546 9.203 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -1.423 0.513 8.145 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -0.260 2.828 6.499 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -0.905 1.338 5.771 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.543 2.922 5.269 1.00 0.34 H new ATOM 711 N LYS A 47 -3.025 -0.775 6.349 1.00 0.41 N ATOM 712 CA LYS A 47 -2.800 -1.993 5.576 1.00 0.50 C ATOM 713 C LYS A 47 -3.924 -2.179 4.560 1.00 0.51 C ATOM 714 O LYS A 47 -3.693 -2.576 3.417 1.00 0.59 O ATOM 715 CB LYS A 47 -2.737 -3.205 6.509 1.00 0.63 C ATOM 716 CG LYS A 47 -2.445 -4.515 5.801 1.00 0.84 C ATOM 717 CD LYS A 47 -2.467 -5.687 6.770 1.00 1.45 C ATOM 718 CE LYS A 47 -1.411 -5.544 7.857 1.00 1.93 C ATOM 719 NZ LYS A 47 -1.313 -6.764 8.698 1.00 2.14 N ATOM 0 H LYS A 47 -3.089 -0.920 7.357 1.00 0.41 H new ATOM 0 HA LYS A 47 -1.851 -1.904 5.047 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.968 -3.031 7.262 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -3.686 -3.293 7.038 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -3.182 -4.677 5.015 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -1.470 -4.459 5.317 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -3.453 -5.760 7.229 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -2.301 -6.614 6.222 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -0.443 -5.341 7.398 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -1.652 -4.687 8.487 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -0.538 -6.653 9.382 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -2.208 -6.906 9.209 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -1.125 -7.589 8.093 1.00 2.14 H new ATOM 733 N GLN A 48 -5.139 -1.860 4.987 1.00 0.47 N ATOM 734 CA GLN A 48 -6.308 -1.943 4.123 1.00 0.52 C ATOM 735 C GLN A 48 -6.312 -0.777 3.139 1.00 0.48 C ATOM 736 O GLN A 48 -6.719 -0.923 1.983 1.00 0.54 O ATOM 737 CB GLN A 48 -7.584 -1.935 4.973 1.00 0.55 C ATOM 738 CG GLN A 48 -8.875 -1.977 4.169 1.00 0.85 C ATOM 739 CD GLN A 48 -9.005 -3.220 3.310 1.00 1.50 C ATOM 740 OE1 GLN A 48 -9.536 -4.240 3.747 1.00 2.23 O ATOM 741 NE2 GLN A 48 -8.524 -3.144 2.078 1.00 2.02 N ATOM 0 H GLN A 48 -5.341 -1.539 5.934 1.00 0.47 H new ATOM 0 HA GLN A 48 -6.272 -2.874 3.557 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -7.562 -2.791 5.647 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -7.586 -1.040 5.595 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -9.723 -1.925 4.852 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -8.926 -1.095 3.530 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -8.091 -2.280 1.752 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -8.587 -3.949 1.455 1.00 2.02 H new ATOM 750 N ALA A 49 -5.838 0.372 3.607 1.00 0.42 N ATOM 751 CA ALA A 49 -5.756 1.565 2.785 1.00 0.40 C ATOM 752 C ALA A 49 -4.814 1.351 1.607 1.00 0.39 C ATOM 753 O ALA A 49 -5.168 1.625 0.462 1.00 0.42 O ATOM 754 CB ALA A 49 -5.290 2.741 3.626 1.00 0.36 C ATOM 0 H ALA A 49 -5.502 0.499 4.562 1.00 0.42 H new ATOM 0 HA ALA A 49 -6.748 1.780 2.389 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.231 3.633 3.003 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -5.998 2.911 4.437 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.307 2.523 4.043 1.00 0.36 H new ATOM 760 N LEU A 50 -3.621 0.838 1.893 1.00 0.38 N ATOM 761 CA LEU A 50 -2.636 0.572 0.847 1.00 0.39 C ATOM 762 C LEU A 50 -3.110 -0.544 -0.070 1.00 0.46 C ATOM 763 O LEU A 50 -2.746 -0.588 -1.240 1.00 0.49 O ATOM 764 CB LEU A 50 -1.265 0.210 1.433 1.00 0.39 C ATOM 765 CG LEU A 50 -0.310 1.388 1.655 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.106 2.172 0.364 1.00 0.31 C ATOM 767 CD2 LEU A 50 -0.819 2.299 2.753 1.00 0.29 C ATOM 0 H LEU A 50 -3.313 0.599 2.835 1.00 0.38 H new ATOM 0 HA LEU A 50 -2.528 1.491 0.270 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -1.419 -0.295 2.387 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -0.782 -0.506 0.768 1.00 0.39 H new ATOM 0 HG LEU A 50 0.653 0.983 1.967 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.575 3.003 0.547 1.00 0.31 H new ATOM 0 HD12 LEU A 50 0.317 1.516 -0.397 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.065 2.558 0.018 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.123 3.127 2.891 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -1.798 2.690 2.477 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -0.902 1.737 3.683 1.00 0.29 H new ATOM 779 N ARG A 51 -3.928 -1.439 0.465 1.00 0.52 N ATOM 780 CA ARG A 51 -4.473 -2.535 -0.323 1.00 0.61 C ATOM 781 C ARG A 51 -5.373 -1.989 -1.428 1.00 0.62 C ATOM 782 O ARG A 51 -5.191 -2.307 -2.604 1.00 0.69 O ATOM 783 CB ARG A 51 -5.249 -3.497 0.575 1.00 0.67 C ATOM 784 CG ARG A 51 -5.737 -4.747 -0.135 1.00 0.98 C ATOM 785 CD ARG A 51 -6.414 -5.697 0.837 1.00 1.49 C ATOM 786 NE ARG A 51 -5.515 -6.089 1.922 1.00 2.00 N ATOM 787 CZ ARG A 51 -5.913 -6.374 3.161 1.00 2.89 C ATOM 788 NH1 ARG A 51 -7.202 -6.314 3.486 1.00 3.39 N ATOM 789 NH2 ARG A 51 -5.014 -6.715 4.074 1.00 3.74 N ATOM 0 H ARG A 51 -4.228 -1.428 1.440 1.00 0.52 H new ATOM 0 HA ARG A 51 -3.650 -3.082 -0.784 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -4.613 -3.791 1.410 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -6.107 -2.973 0.996 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -6.435 -4.471 -0.925 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -4.896 -5.249 -0.614 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -7.302 -5.221 1.253 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -6.750 -6.586 0.303 1.00 1.49 H new ATOM 0 HE ARG A 51 -4.518 -6.148 1.717 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -7.893 -6.048 2.784 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -7.499 -6.534 4.437 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -4.026 -6.758 3.826 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -5.311 -6.935 5.025 1.00 3.74 H new ATOM 803 N GLU A 52 -6.318 -1.135 -1.046 1.00 0.59 N ATOM 804 CA GLU A 52 -7.219 -0.519 -2.014 1.00 0.62 C ATOM 805 C GLU A 52 -6.454 0.445 -2.914 1.00 0.59 C ATOM 806 O GLU A 52 -6.741 0.565 -4.107 1.00 0.65 O ATOM 807 CB GLU A 52 -8.356 0.219 -1.303 1.00 0.66 C ATOM 808 CG GLU A 52 -9.331 -0.700 -0.582 1.00 0.92 C ATOM 809 CD GLU A 52 -10.027 -1.661 -1.523 1.00 1.23 C ATOM 810 OE1 GLU A 52 -9.457 -2.734 -1.807 1.00 1.88 O ATOM 811 OE2 GLU A 52 -11.147 -1.351 -1.984 1.00 1.45 O ATOM 0 H GLU A 52 -6.479 -0.855 -0.079 1.00 0.59 H new ATOM 0 HA GLU A 52 -7.649 -1.310 -2.628 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -7.929 0.917 -0.583 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -8.904 0.812 -2.035 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -8.795 -1.267 0.180 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -10.078 -0.098 -0.065 1.00 0.92 H new ATOM 818 N ALA A 53 -5.469 1.117 -2.332 1.00 0.52 N ATOM 819 CA ALA A 53 -4.629 2.046 -3.066 1.00 0.49 C ATOM 820 C ALA A 53 -3.824 1.322 -4.139 1.00 0.52 C ATOM 821 O ALA A 53 -3.835 1.718 -5.303 1.00 0.53 O ATOM 822 CB ALA A 53 -3.702 2.763 -2.103 1.00 0.43 C ATOM 0 H ALA A 53 -5.233 1.032 -1.343 1.00 0.52 H new ATOM 0 HA ALA A 53 -5.267 2.777 -3.563 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.072 3.460 -2.655 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.293 3.311 -1.369 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.074 2.034 -1.591 1.00 0.43 H new ATOM 828 N GLY A 54 -3.136 0.258 -3.735 1.00 0.57 N ATOM 829 CA GLY A 54 -2.321 -0.512 -4.659 1.00 0.64 C ATOM 830 C GLY A 54 -3.141 -1.121 -5.775 1.00 0.74 C ATOM 831 O GLY A 54 -2.662 -1.269 -6.900 1.00 0.82 O ATOM 0 H GLY A 54 -3.129 -0.087 -2.775 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -1.552 0.132 -5.086 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -1.807 -1.304 -4.114 1.00 0.64 H new ATOM 835 N ASP A 55 -4.380 -1.477 -5.465 1.00 0.79 N ATOM 836 CA ASP A 55 -5.297 -1.993 -6.470 1.00 0.92 C ATOM 837 C ASP A 55 -5.640 -0.907 -7.479 1.00 0.88 C ATOM 838 O ASP A 55 -5.643 -1.141 -8.688 1.00 0.97 O ATOM 839 CB ASP A 55 -6.579 -2.517 -5.819 1.00 1.04 C ATOM 840 CG ASP A 55 -7.664 -2.789 -6.838 1.00 1.12 C ATOM 841 OD1 ASP A 55 -7.633 -3.867 -7.468 1.00 1.34 O ATOM 842 OD2 ASP A 55 -8.557 -1.935 -7.010 1.00 1.29 O ATOM 0 H ASP A 55 -4.773 -1.418 -4.525 1.00 0.79 H new ATOM 0 HA ASP A 55 -4.805 -2.818 -6.985 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -6.359 -3.433 -5.271 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -6.939 -1.790 -5.092 1.00 1.04 H new ATOM 847 N GLU A 56 -5.906 0.289 -6.972 1.00 0.79 N ATOM 848 CA GLU A 56 -6.242 1.419 -7.822 1.00 0.83 C ATOM 849 C GLU A 56 -5.034 1.819 -8.668 1.00 0.78 C ATOM 850 O GLU A 56 -5.171 2.135 -9.848 1.00 0.85 O ATOM 851 CB GLU A 56 -6.727 2.603 -6.975 1.00 0.83 C ATOM 852 CG GLU A 56 -7.139 3.816 -7.794 1.00 0.94 C ATOM 853 CD GLU A 56 -7.607 4.969 -6.932 1.00 1.27 C ATOM 854 OE1 GLU A 56 -6.750 5.724 -6.427 1.00 2.06 O ATOM 855 OE2 GLU A 56 -8.832 5.120 -6.753 1.00 1.38 O ATOM 0 H GLU A 56 -5.895 0.500 -5.974 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.051 1.126 -8.491 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -7.574 2.281 -6.369 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -5.934 2.894 -6.286 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -6.296 4.142 -8.403 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -7.937 3.533 -8.480 1.00 0.94 H new ATOM 862 N PHE A 57 -3.848 1.775 -8.066 1.00 0.72 N ATOM 863 CA PHE A 57 -2.618 2.115 -8.774 1.00 0.76 C ATOM 864 C PHE A 57 -2.360 1.111 -9.896 1.00 0.82 C ATOM 865 O PHE A 57 -1.882 1.475 -10.970 1.00 0.90 O ATOM 866 CB PHE A 57 -1.426 2.149 -7.806 1.00 0.77 C ATOM 867 CG PHE A 57 -0.139 2.596 -8.447 1.00 0.94 C ATOM 868 CD1 PHE A 57 0.134 3.945 -8.623 1.00 1.07 C ATOM 869 CD2 PHE A 57 0.802 1.667 -8.864 1.00 1.05 C ATOM 870 CE1 PHE A 57 1.321 4.356 -9.200 1.00 1.26 C ATOM 871 CE2 PHE A 57 1.989 2.074 -9.443 1.00 1.25 C ATOM 872 CZ PHE A 57 2.229 3.423 -9.650 1.00 1.34 C ATOM 0 H PHE A 57 -3.713 1.508 -7.091 1.00 0.72 H new ATOM 0 HA PHE A 57 -2.735 3.107 -9.209 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -1.661 2.818 -6.978 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.285 1.155 -7.383 1.00 0.77 H new ATOM 0 HD1 PHE A 57 -0.589 4.682 -8.306 1.00 1.07 H new ATOM 0 HD2 PHE A 57 0.605 0.613 -8.735 1.00 1.05 H new ATOM 0 HE1 PHE A 57 1.537 5.410 -9.298 1.00 1.26 H new ATOM 0 HE2 PHE A 57 2.728 1.342 -9.734 1.00 1.25 H new ATOM 0 HZ PHE A 57 3.125 3.742 -10.162 1.00 1.34 H new ATOM 882 N GLU A 58 -2.710 -0.145 -9.642 1.00 0.83 N ATOM 883 CA GLU A 58 -2.528 -1.219 -10.616 1.00 0.95 C ATOM 884 C GLU A 58 -3.353 -0.958 -11.875 1.00 0.99 C ATOM 885 O GLU A 58 -2.878 -1.148 -12.992 1.00 1.08 O ATOM 886 CB GLU A 58 -2.938 -2.560 -9.986 1.00 1.05 C ATOM 887 CG GLU A 58 -2.909 -3.744 -10.945 1.00 1.35 C ATOM 888 CD GLU A 58 -1.529 -4.023 -11.499 1.00 1.27 C ATOM 889 OE1 GLU A 58 -0.625 -4.365 -10.709 1.00 1.45 O ATOM 890 OE2 GLU A 58 -1.335 -3.876 -12.721 1.00 1.61 O ATOM 0 H GLU A 58 -3.126 -0.448 -8.761 1.00 0.83 H new ATOM 0 HA GLU A 58 -1.477 -1.257 -10.901 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -2.274 -2.771 -9.148 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -3.944 -2.463 -9.579 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -3.273 -4.632 -10.428 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -3.594 -3.552 -11.771 1.00 1.35 H new ATOM 897 N LEU A 59 -4.583 -0.508 -11.687 1.00 0.98 N ATOM 898 CA LEU A 59 -5.499 -0.310 -12.799 1.00 1.10 C ATOM 899 C LEU A 59 -5.279 1.046 -13.471 1.00 1.10 C ATOM 900 O LEU A 59 -5.492 1.196 -14.674 1.00 1.24 O ATOM 901 CB LEU A 59 -6.940 -0.418 -12.297 1.00 1.19 C ATOM 902 CG LEU A 59 -8.013 -0.407 -13.386 1.00 1.36 C ATOM 903 CD1 LEU A 59 -7.856 -1.613 -14.298 1.00 1.59 C ATOM 904 CD2 LEU A 59 -9.400 -0.380 -12.761 1.00 1.56 C ATOM 0 H LEU A 59 -4.971 -0.273 -10.773 1.00 0.98 H new ATOM 0 HA LEU A 59 -5.308 -1.084 -13.543 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -7.039 -1.338 -11.722 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -7.132 0.408 -11.612 1.00 1.19 H new ATOM 0 HG LEU A 59 -7.891 0.494 -13.988 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -8.628 -1.590 -15.068 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -6.873 -1.588 -14.769 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -7.955 -2.527 -13.713 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -10.154 -0.372 -13.548 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -9.535 -1.264 -12.138 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -9.506 0.516 -12.149 1.00 1.56 H new ATOM 916 N ARG A 60 -4.831 2.021 -12.692 1.00 1.00 N ATOM 917 CA ARG A 60 -4.743 3.403 -13.164 1.00 1.06 C ATOM 918 C ARG A 60 -3.359 3.753 -13.707 1.00 1.00 C ATOM 919 O ARG A 60 -3.246 4.477 -14.697 1.00 1.07 O ATOM 920 CB ARG A 60 -5.112 4.378 -12.037 1.00 1.10 C ATOM 921 CG ARG A 60 -6.610 4.565 -11.840 1.00 1.19 C ATOM 922 CD ARG A 60 -7.220 5.383 -12.967 1.00 1.31 C ATOM 923 NE ARG A 60 -6.691 6.746 -12.991 1.00 1.81 N ATOM 924 CZ ARG A 60 -6.613 7.499 -14.086 1.00 2.26 C ATOM 925 NH1 ARG A 60 -6.986 7.009 -15.262 1.00 2.15 N ATOM 926 NH2 ARG A 60 -6.147 8.740 -14.003 1.00 3.21 N ATOM 0 H ARG A 60 -4.522 1.884 -11.730 1.00 1.00 H new ATOM 0 HA ARG A 60 -5.453 3.497 -13.986 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -4.676 4.020 -11.104 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -4.661 5.347 -12.248 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -7.096 3.591 -11.791 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -6.794 5.061 -10.887 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -7.017 4.897 -13.921 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -8.303 5.415 -12.849 1.00 1.31 H new ATOM 0 HE ARG A 60 -6.361 7.145 -12.113 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -7.334 6.052 -15.329 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -6.925 7.589 -16.099 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -5.850 9.114 -13.102 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -6.086 9.319 -14.841 1.00 3.21 H new ATOM 940 N TYR A 61 -2.314 3.244 -13.072 1.00 0.91 N ATOM 941 CA TYR A 61 -0.952 3.638 -13.415 1.00 0.90 C ATOM 942 C TYR A 61 -0.094 2.424 -13.745 1.00 0.84 C ATOM 943 O TYR A 61 1.100 2.399 -13.442 1.00 0.83 O ATOM 944 CB TYR A 61 -0.308 4.413 -12.261 1.00 0.96 C ATOM 945 CG TYR A 61 -0.888 5.792 -12.018 1.00 1.05 C ATOM 946 CD1 TYR A 61 -0.510 6.879 -12.799 1.00 1.27 C ATOM 947 CD2 TYR A 61 -1.830 5.998 -11.020 1.00 1.04 C ATOM 948 CE1 TYR A 61 -1.060 8.131 -12.592 1.00 1.38 C ATOM 949 CE2 TYR A 61 -2.380 7.247 -10.804 1.00 1.14 C ATOM 950 CZ TYR A 61 -1.907 8.336 -11.549 1.00 1.27 C ATOM 951 OH TYR A 61 -2.552 9.553 -11.391 1.00 1.41 O ATOM 0 H TYR A 61 -2.380 2.559 -12.319 1.00 0.91 H new ATOM 0 HA TYR A 61 -1.009 4.278 -14.295 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.408 3.826 -11.348 1.00 0.96 H new ATOM 0 HB3 TYR A 61 0.759 4.513 -12.460 1.00 0.96 H new ATOM 0 HD1 TYR A 61 0.224 6.743 -13.579 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -2.138 5.168 -10.402 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -0.817 8.945 -13.259 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -3.163 7.382 -10.072 1.00 1.14 H new ATOM 0 HH TYR A 61 -3.120 9.521 -10.593 1.00 1.41 H new ATOM 961 N ARG A 62 -0.695 1.430 -14.386 1.00 0.86 N ATOM 962 CA ARG A 62 0.020 0.212 -14.745 1.00 0.85 C ATOM 963 C ARG A 62 1.195 0.526 -15.672 1.00 0.87 C ATOM 964 O ARG A 62 2.262 -0.081 -15.561 1.00 0.85 O ATOM 965 CB ARG A 62 -0.924 -0.791 -15.412 1.00 0.95 C ATOM 966 CG ARG A 62 -0.258 -2.108 -15.775 1.00 1.04 C ATOM 967 CD ARG A 62 -1.266 -3.134 -16.263 1.00 1.23 C ATOM 968 NE ARG A 62 -2.246 -3.463 -15.231 1.00 1.73 N ATOM 969 CZ ARG A 62 -3.516 -3.762 -15.479 1.00 2.16 C ATOM 970 NH1 ARG A 62 -3.964 -3.791 -16.730 1.00 2.24 N ATOM 971 NH2 ARG A 62 -4.339 -4.035 -14.476 1.00 3.02 N ATOM 0 H ARG A 62 -1.675 1.443 -14.668 1.00 0.86 H new ATOM 0 HA ARG A 62 0.410 -0.232 -13.829 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -1.761 -0.990 -14.742 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -1.338 -0.342 -16.315 1.00 0.95 H new ATOM 0 HG2 ARG A 62 0.490 -1.936 -16.549 1.00 1.04 H new ATOM 0 HG3 ARG A 62 0.269 -2.501 -14.905 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -1.780 -2.748 -17.143 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -0.743 -4.040 -16.570 1.00 1.23 H new ATOM 0 HE ARG A 62 -1.936 -3.463 -14.259 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -3.332 -3.583 -17.503 1.00 2.24 H new ATOM 0 HH12 ARG A 62 -4.940 -4.021 -16.917 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -3.997 -4.015 -13.515 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -5.315 -4.265 -14.665 1.00 3.02 H new ATOM 985 N ARG A 63 1.001 1.483 -16.571 1.00 0.94 N ATOM 986 CA ARG A 63 2.057 1.877 -17.498 1.00 1.01 C ATOM 987 C ARG A 63 3.206 2.532 -16.738 1.00 0.95 C ATOM 988 O ARG A 63 4.370 2.185 -16.943 1.00 0.99 O ATOM 989 CB ARG A 63 1.516 2.829 -18.573 1.00 1.16 C ATOM 990 CG ARG A 63 0.348 2.255 -19.358 1.00 1.70 C ATOM 991 CD ARG A 63 0.730 0.974 -20.078 1.00 2.14 C ATOM 992 NE ARG A 63 -0.433 0.315 -20.669 1.00 2.71 N ATOM 993 CZ ARG A 63 -0.371 -0.815 -21.370 1.00 3.58 C ATOM 994 NH1 ARG A 63 0.801 -1.394 -21.603 1.00 3.92 N ATOM 995 NH2 ARG A 63 -1.482 -1.359 -21.850 1.00 4.52 N ATOM 0 H ARG A 63 0.128 1.999 -16.679 1.00 0.94 H new ATOM 0 HA ARG A 63 2.428 0.981 -17.995 1.00 1.01 H new ATOM 0 HB2 ARG A 63 1.203 3.759 -18.099 1.00 1.16 H new ATOM 0 HB3 ARG A 63 2.321 3.079 -19.264 1.00 1.16 H new ATOM 0 HG2 ARG A 63 -0.483 2.058 -18.681 1.00 1.70 H new ATOM 0 HG3 ARG A 63 0.001 2.991 -20.084 1.00 1.70 H new ATOM 0 HD2 ARG A 63 1.456 1.199 -20.859 1.00 2.14 H new ATOM 0 HD3 ARG A 63 1.216 0.295 -19.378 1.00 2.14 H new ATOM 0 HE ARG A 63 -1.347 0.747 -20.536 1.00 2.71 H new ATOM 0 HH11 ARG A 63 1.658 -0.973 -21.244 1.00 3.92 H new ATOM 0 HH12 ARG A 63 0.844 -2.260 -22.141 1.00 3.92 H new ATOM 0 HH21 ARG A 63 -2.383 -0.911 -21.682 1.00 4.52 H new ATOM 0 HH22 ARG A 63 -1.435 -2.225 -22.387 1.00 4.52 H new ATOM 1009 N ALA A 64 2.868 3.450 -15.834 1.00 0.90 N ATOM 1010 CA ALA A 64 3.866 4.141 -15.028 1.00 0.89 C ATOM 1011 C ALA A 64 4.645 3.148 -14.182 1.00 0.75 C ATOM 1012 O ALA A 64 5.871 3.228 -14.078 1.00 0.73 O ATOM 1013 CB ALA A 64 3.201 5.181 -14.142 1.00 0.94 C ATOM 0 H ALA A 64 1.906 3.731 -15.643 1.00 0.90 H new ATOM 0 HA ALA A 64 4.562 4.647 -15.697 1.00 0.89 H new ATOM 0 HB1 ALA A 64 3.959 5.689 -13.546 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.680 5.909 -14.764 1.00 0.94 H new ATOM 0 HB3 ALA A 64 2.486 4.692 -13.480 1.00 0.94 H new ATOM 1019 N PHE A 65 3.917 2.207 -13.597 1.00 0.69 N ATOM 1020 CA PHE A 65 4.507 1.157 -12.779 1.00 0.61 C ATOM 1021 C PHE A 65 5.518 0.350 -13.586 1.00 0.59 C ATOM 1022 O PHE A 65 6.686 0.257 -13.212 1.00 0.59 O ATOM 1023 CB PHE A 65 3.401 0.234 -12.244 1.00 0.62 C ATOM 1024 CG PHE A 65 3.884 -0.822 -11.291 1.00 0.59 C ATOM 1025 CD1 PHE A 65 4.137 -0.516 -9.962 1.00 0.60 C ATOM 1026 CD2 PHE A 65 4.097 -2.118 -11.727 1.00 0.64 C ATOM 1027 CE1 PHE A 65 4.590 -1.485 -9.089 1.00 0.64 C ATOM 1028 CE2 PHE A 65 4.552 -3.089 -10.859 1.00 0.68 C ATOM 1029 CZ PHE A 65 4.755 -2.774 -9.518 1.00 0.66 C ATOM 0 H PHE A 65 2.902 2.150 -13.676 1.00 0.69 H new ATOM 0 HA PHE A 65 5.028 1.618 -11.940 1.00 0.61 H new ATOM 0 HB2 PHE A 65 2.648 0.842 -11.743 1.00 0.62 H new ATOM 0 HB3 PHE A 65 2.910 -0.251 -13.087 1.00 0.62 H new ATOM 0 HD1 PHE A 65 3.978 0.491 -9.606 1.00 0.60 H new ATOM 0 HD2 PHE A 65 3.905 -2.372 -12.759 1.00 0.64 H new ATOM 0 HE1 PHE A 65 4.815 -1.225 -8.065 1.00 0.64 H new ATOM 0 HE2 PHE A 65 4.750 -4.088 -11.218 1.00 0.68 H new ATOM 0 HZ PHE A 65 5.042 -3.545 -8.818 1.00 0.66 H new ATOM 1039 N SER A 66 5.065 -0.196 -14.710 1.00 0.64 N ATOM 1040 CA SER A 66 5.883 -1.086 -15.530 1.00 0.68 C ATOM 1041 C SER A 66 7.177 -0.407 -15.991 1.00 0.66 C ATOM 1042 O SER A 66 8.263 -0.969 -15.849 1.00 0.68 O ATOM 1043 CB SER A 66 5.080 -1.562 -16.742 1.00 0.83 C ATOM 1044 OG SER A 66 3.818 -2.080 -16.344 1.00 1.20 O ATOM 0 H SER A 66 4.127 -0.036 -15.077 1.00 0.64 H new ATOM 0 HA SER A 66 6.161 -1.942 -14.916 1.00 0.68 H new ATOM 0 HB2 SER A 66 4.935 -0.733 -17.435 1.00 0.83 H new ATOM 0 HB3 SER A 66 5.640 -2.330 -17.276 1.00 0.83 H new ATOM 0 HG SER A 66 3.147 -1.366 -16.375 1.00 1.20 H new ATOM 1050 N ASP A 67 7.060 0.804 -16.531 1.00 0.68 N ATOM 1051 CA ASP A 67 8.232 1.527 -17.030 1.00 0.73 C ATOM 1052 C ASP A 67 9.239 1.787 -15.915 1.00 0.65 C ATOM 1053 O ASP A 67 10.450 1.704 -16.129 1.00 0.66 O ATOM 1054 CB ASP A 67 7.839 2.861 -17.682 1.00 0.89 C ATOM 1055 CG ASP A 67 7.224 2.691 -19.055 1.00 1.36 C ATOM 1056 OD1 ASP A 67 7.964 2.410 -20.018 1.00 1.41 O ATOM 1057 OD2 ASP A 67 5.985 2.818 -19.176 1.00 2.06 O ATOM 0 H ASP A 67 6.176 1.303 -16.635 1.00 0.68 H new ATOM 0 HA ASP A 67 8.693 0.891 -17.785 1.00 0.73 H new ATOM 0 HB2 ASP A 67 7.132 3.381 -17.035 1.00 0.89 H new ATOM 0 HB3 ASP A 67 8.723 3.494 -17.762 1.00 0.89 H new ATOM 1062 N LEU A 68 8.739 2.081 -14.723 1.00 0.63 N ATOM 1063 CA LEU A 68 9.603 2.451 -13.614 1.00 0.66 C ATOM 1064 C LEU A 68 10.226 1.214 -12.963 1.00 0.57 C ATOM 1065 O LEU A 68 11.371 1.260 -12.508 1.00 0.63 O ATOM 1066 CB LEU A 68 8.824 3.284 -12.589 1.00 0.75 C ATOM 1067 CG LEU A 68 9.669 3.966 -11.507 1.00 0.81 C ATOM 1068 CD1 LEU A 68 10.736 4.851 -12.134 1.00 1.64 C ATOM 1069 CD2 LEU A 68 8.784 4.794 -10.593 1.00 1.07 C ATOM 0 H LEU A 68 7.744 2.070 -14.501 1.00 0.63 H new ATOM 0 HA LEU A 68 10.419 3.061 -14.002 1.00 0.66 H new ATOM 0 HB2 LEU A 68 8.263 4.051 -13.123 1.00 0.75 H new ATOM 0 HB3 LEU A 68 8.095 2.637 -12.101 1.00 0.75 H new ATOM 0 HG LEU A 68 10.161 3.190 -10.920 1.00 0.81 H new ATOM 0 HD11 LEU A 68 11.324 5.325 -11.348 1.00 1.64 H new ATOM 0 HD12 LEU A 68 11.390 4.244 -12.760 1.00 1.64 H new ATOM 0 HD13 LEU A 68 10.260 5.619 -12.744 1.00 1.64 H new ATOM 0 HD21 LEU A 68 9.397 5.273 -9.829 1.00 1.07 H new ATOM 0 HD22 LEU A 68 8.271 5.557 -11.178 1.00 1.07 H new ATOM 0 HD23 LEU A 68 8.048 4.147 -10.115 1.00 1.07 H new ATOM 1081 N THR A 69 9.496 0.099 -12.945 1.00 0.49 N ATOM 1082 CA THR A 69 10.011 -1.130 -12.343 1.00 0.49 C ATOM 1083 C THR A 69 11.106 -1.751 -13.201 1.00 0.46 C ATOM 1084 O THR A 69 11.933 -2.515 -12.707 1.00 0.51 O ATOM 1085 CB THR A 69 8.904 -2.171 -12.099 1.00 0.51 C ATOM 1086 OG1 THR A 69 8.131 -2.370 -13.291 1.00 0.71 O ATOM 1087 CG2 THR A 69 7.999 -1.739 -10.959 1.00 0.63 C ATOM 0 H THR A 69 8.557 0.021 -13.336 1.00 0.49 H new ATOM 0 HA THR A 69 10.428 -0.842 -11.378 1.00 0.49 H new ATOM 0 HB THR A 69 9.380 -3.113 -11.826 1.00 0.51 H new ATOM 0 HG1 THR A 69 8.521 -1.850 -14.024 1.00 0.71 H new ATOM 0 HG21 THR A 69 7.224 -2.490 -10.805 1.00 0.63 H new ATOM 0 HG22 THR A 69 8.587 -1.632 -10.048 1.00 0.63 H new ATOM 0 HG23 THR A 69 7.535 -0.784 -11.205 1.00 0.63 H new ATOM 1095 N SER A 70 11.124 -1.407 -14.483 1.00 0.46 N ATOM 1096 CA SER A 70 12.184 -1.860 -15.368 1.00 0.49 C ATOM 1097 C SER A 70 13.519 -1.277 -14.913 1.00 0.48 C ATOM 1098 O SER A 70 14.561 -1.922 -15.009 1.00 0.53 O ATOM 1099 CB SER A 70 11.881 -1.450 -16.809 1.00 0.57 C ATOM 1100 OG SER A 70 10.585 -1.872 -17.191 1.00 1.31 O ATOM 0 H SER A 70 10.420 -0.819 -14.929 1.00 0.46 H new ATOM 0 HA SER A 70 12.244 -2.948 -15.328 1.00 0.49 H new ATOM 0 HB2 SER A 70 11.959 -0.367 -16.908 1.00 0.57 H new ATOM 0 HB3 SER A 70 12.622 -1.886 -17.479 1.00 0.57 H new ATOM 0 HG SER A 70 9.914 -1.369 -16.683 1.00 1.31 H new ATOM 1106 N GLN A 71 13.466 -0.060 -14.391 1.00 0.49 N ATOM 1107 CA GLN A 71 14.644 0.595 -13.847 1.00 0.53 C ATOM 1108 C GLN A 71 14.863 0.143 -12.408 1.00 0.46 C ATOM 1109 O GLN A 71 15.996 -0.027 -11.958 1.00 0.53 O ATOM 1110 CB GLN A 71 14.470 2.115 -13.918 1.00 0.63 C ATOM 1111 CG GLN A 71 15.589 2.908 -13.261 1.00 0.69 C ATOM 1112 CD GLN A 71 15.371 4.407 -13.355 1.00 0.83 C ATOM 1113 OE1 GLN A 71 16.323 5.185 -13.401 1.00 1.22 O ATOM 1114 NE2 GLN A 71 14.114 4.826 -13.378 1.00 0.82 N ATOM 0 H GLN A 71 12.613 0.496 -14.333 1.00 0.49 H new ATOM 0 HA GLN A 71 15.520 0.320 -14.435 1.00 0.53 H new ATOM 0 HB2 GLN A 71 14.397 2.411 -14.964 1.00 0.63 H new ATOM 0 HB3 GLN A 71 13.525 2.383 -13.445 1.00 0.63 H new ATOM 0 HG2 GLN A 71 15.667 2.620 -12.213 1.00 0.69 H new ATOM 0 HG3 GLN A 71 16.537 2.652 -13.733 1.00 0.69 H new ATOM 0 HE21 GLN A 71 13.351 4.151 -13.338 1.00 0.82 H new ATOM 0 HE22 GLN A 71 13.910 5.824 -13.436 1.00 0.82 H new ATOM 1123 N LEU A 72 13.765 -0.096 -11.703 1.00 0.39 N ATOM 1124 CA LEU A 72 13.818 -0.530 -10.310 1.00 0.33 C ATOM 1125 C LEU A 72 14.011 -2.047 -10.223 1.00 0.34 C ATOM 1126 O LEU A 72 13.582 -2.686 -9.269 1.00 0.37 O ATOM 1127 CB LEU A 72 12.534 -0.104 -9.576 1.00 0.37 C ATOM 1128 CG LEU A 72 12.532 -0.331 -8.060 1.00 0.46 C ATOM 1129 CD1 LEU A 72 13.711 0.371 -7.409 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.226 0.156 -7.456 1.00 0.92 C ATOM 0 H LEU A 72 12.820 0.004 -12.075 1.00 0.39 H new ATOM 0 HA LEU A 72 14.671 -0.053 -9.828 1.00 0.33 H new ATOM 0 HB2 LEU A 72 12.362 0.955 -9.767 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.693 -0.646 -10.008 1.00 0.37 H new ATOM 0 HG LEU A 72 12.626 -1.401 -7.873 1.00 0.46 H new ATOM 0 HD11 LEU A 72 13.690 0.196 -6.333 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.641 -0.021 -7.822 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.650 1.442 -7.604 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.238 -0.011 -6.379 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.107 1.221 -7.656 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.394 -0.392 -7.899 1.00 0.92 H new ATOM 1142 N HIS A 73 14.664 -2.618 -11.227 1.00 0.41 N ATOM 1143 CA HIS A 73 14.996 -4.038 -11.208 1.00 0.46 C ATOM 1144 C HIS A 73 15.905 -4.344 -10.020 1.00 0.41 C ATOM 1145 O HIS A 73 16.901 -3.649 -9.802 1.00 0.45 O ATOM 1146 CB HIS A 73 15.667 -4.466 -12.531 1.00 0.60 C ATOM 1147 CG HIS A 73 16.885 -3.668 -12.918 1.00 1.34 C ATOM 1148 ND1 HIS A 73 16.866 -2.703 -13.901 1.00 2.07 N ATOM 1149 CD2 HIS A 73 18.161 -3.702 -12.459 1.00 2.33 C ATOM 1150 CE1 HIS A 73 18.070 -2.179 -14.027 1.00 2.86 C ATOM 1151 NE2 HIS A 73 18.875 -2.765 -13.165 1.00 3.01 N ATOM 0 H HIS A 73 14.974 -2.122 -12.063 1.00 0.41 H new ATOM 0 HA HIS A 73 14.073 -4.608 -11.102 1.00 0.46 H new ATOM 0 HB2 HIS A 73 15.949 -5.516 -12.454 1.00 0.60 H new ATOM 0 HB3 HIS A 73 14.933 -4.391 -13.333 1.00 0.60 H new ATOM 0 HD1 HIS A 73 16.047 -2.435 -14.447 1.00 2.07 H new ATOM 0 HD2 HIS A 73 18.545 -4.347 -11.682 1.00 2.33 H new ATOM 0 HE1 HIS A 73 18.349 -1.400 -14.721 1.00 2.86 H new ATOM 1160 N ILE A 74 15.560 -5.349 -9.231 1.00 0.37 N ATOM 1161 CA ILE A 74 16.391 -5.714 -8.098 1.00 0.36 C ATOM 1162 C ILE A 74 17.377 -6.807 -8.501 1.00 0.45 C ATOM 1163 O ILE A 74 17.002 -7.820 -9.091 1.00 0.61 O ATOM 1164 CB ILE A 74 15.555 -6.163 -6.876 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.464 -6.362 -5.664 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.782 -7.438 -7.176 1.00 0.35 C ATOM 1167 CD1 ILE A 74 15.717 -6.603 -4.378 1.00 0.34 C ATOM 0 H ILE A 74 14.723 -5.919 -9.352 1.00 0.37 H new ATOM 0 HA ILE A 74 16.942 -4.823 -7.797 1.00 0.36 H new ATOM 0 HB ILE A 74 14.831 -5.380 -6.652 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.126 -7.207 -5.853 1.00 0.31 H new ATOM 0 HG13 ILE A 74 17.096 -5.482 -5.547 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.204 -7.728 -6.298 1.00 0.35 H new ATOM 0 HG22 ILE A 74 14.107 -7.265 -8.014 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.480 -8.235 -7.431 1.00 0.35 H new ATOM 0 HD11 ILE A 74 16.429 -6.735 -3.563 1.00 0.34 H new ATOM 0 HD12 ILE A 74 15.075 -5.748 -4.164 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.106 -7.500 -4.475 1.00 0.34 H new ATOM 1179 N THR A 75 18.645 -6.570 -8.222 1.00 0.61 N ATOM 1180 CA THR A 75 19.701 -7.491 -8.592 1.00 0.73 C ATOM 1181 C THR A 75 20.750 -7.562 -7.486 1.00 0.58 C ATOM 1182 O THR A 75 20.698 -6.779 -6.533 1.00 0.57 O ATOM 1183 CB THR A 75 20.369 -7.042 -9.909 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.609 -5.627 -9.875 1.00 1.38 O ATOM 1185 CG2 THR A 75 19.503 -7.385 -11.110 1.00 1.56 C ATOM 0 H THR A 75 18.971 -5.736 -7.734 1.00 0.61 H new ATOM 0 HA THR A 75 19.262 -8.478 -8.734 1.00 0.73 H new ATOM 0 HB THR A 75 21.316 -7.573 -10.007 1.00 1.02 H new ATOM 0 HG1 THR A 75 20.405 -5.282 -8.981 1.00 1.38 H new ATOM 0 HG21 THR A 75 20.000 -7.056 -12.023 1.00 1.56 H new ATOM 0 HG22 THR A 75 19.347 -8.463 -11.150 1.00 1.56 H new ATOM 0 HG23 THR A 75 18.540 -6.882 -11.020 1.00 1.56 H new ATOM 1193 N PRO A 76 21.701 -8.506 -7.572 1.00 0.66 N ATOM 1194 CA PRO A 76 22.827 -8.556 -6.644 1.00 0.73 C ATOM 1195 C PRO A 76 23.641 -7.267 -6.708 1.00 0.72 C ATOM 1196 O PRO A 76 24.327 -6.999 -7.696 1.00 0.81 O ATOM 1197 CB PRO A 76 23.658 -9.749 -7.132 1.00 0.93 C ATOM 1198 CG PRO A 76 22.714 -10.572 -7.937 1.00 1.06 C ATOM 1199 CD PRO A 76 21.748 -9.603 -8.555 1.00 0.90 C ATOM 0 HA PRO A 76 22.510 -8.661 -5.606 1.00 0.73 H new ATOM 0 HB2 PRO A 76 24.506 -9.420 -7.733 1.00 0.93 H new ATOM 0 HB3 PRO A 76 24.062 -10.318 -6.294 1.00 0.93 H new ATOM 0 HG2 PRO A 76 23.244 -11.137 -8.703 1.00 1.06 H new ATOM 0 HG3 PRO A 76 22.194 -11.296 -7.310 1.00 1.06 H new ATOM 0 HD2 PRO A 76 22.092 -9.257 -9.530 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.766 -10.052 -8.705 1.00 0.90 H new ATOM 1207 N GLY A 77 23.527 -6.451 -5.673 1.00 0.86 N ATOM 1208 CA GLY A 77 24.222 -5.184 -5.656 1.00 1.10 C ATOM 1209 C GLY A 77 23.271 -4.010 -5.553 1.00 1.00 C ATOM 1210 O GLY A 77 23.695 -2.878 -5.322 1.00 1.32 O ATOM 0 H GLY A 77 22.965 -6.644 -4.844 1.00 0.86 H new ATOM 0 HA2 GLY A 77 24.915 -5.163 -4.815 1.00 1.10 H new ATOM 0 HA3 GLY A 77 24.819 -5.087 -6.563 1.00 1.10 H new ATOM 1214 N THR A 78 21.983 -4.279 -5.733 1.00 0.85 N ATOM 1215 CA THR A 78 20.963 -3.253 -5.591 1.00 0.82 C ATOM 1216 C THR A 78 20.781 -2.891 -4.118 1.00 0.85 C ATOM 1217 O THR A 78 19.944 -3.463 -3.420 1.00 1.52 O ATOM 1218 CB THR A 78 19.617 -3.719 -6.187 1.00 0.90 C ATOM 1219 OG1 THR A 78 19.811 -4.154 -7.542 1.00 1.52 O ATOM 1220 CG2 THR A 78 18.589 -2.598 -6.163 1.00 1.15 C ATOM 0 H THR A 78 21.622 -5.201 -5.978 1.00 0.85 H new ATOM 0 HA THR A 78 21.294 -2.372 -6.141 1.00 0.82 H new ATOM 0 HB THR A 78 19.246 -4.544 -5.579 1.00 0.90 H new ATOM 0 HG1 THR A 78 19.059 -3.853 -8.093 1.00 1.52 H new ATOM 0 HG21 THR A 78 17.651 -2.955 -6.589 1.00 1.15 H new ATOM 0 HG22 THR A 78 18.422 -2.279 -5.134 1.00 1.15 H new ATOM 0 HG23 THR A 78 18.956 -1.755 -6.749 1.00 1.15 H new ATOM 1228 N ALA A 79 21.623 -1.990 -3.642 1.00 0.68 N ATOM 1229 CA ALA A 79 21.580 -1.545 -2.259 1.00 0.73 C ATOM 1230 C ALA A 79 20.532 -0.451 -2.081 1.00 0.62 C ATOM 1231 O ALA A 79 19.874 -0.058 -3.049 1.00 0.56 O ATOM 1232 CB ALA A 79 22.954 -1.045 -1.844 1.00 0.85 C ATOM 0 H ALA A 79 22.353 -1.548 -4.200 1.00 0.68 H new ATOM 0 HA ALA A 79 21.300 -2.384 -1.622 1.00 0.73 H new ATOM 0 HB1 ALA A 79 22.922 -0.711 -0.807 1.00 0.85 H new ATOM 0 HB2 ALA A 79 23.680 -1.852 -1.943 1.00 0.85 H new ATOM 0 HB3 ALA A 79 23.247 -0.213 -2.484 1.00 0.85 H new ATOM 1238 N TYR A 80 20.377 0.049 -0.857 1.00 0.63 N ATOM 1239 CA TYR A 80 19.460 1.159 -0.604 1.00 0.58 C ATOM 1240 C TYR A 80 19.839 2.362 -1.461 1.00 0.50 C ATOM 1241 O TYR A 80 18.976 3.104 -1.914 1.00 0.46 O ATOM 1242 CB TYR A 80 19.446 1.550 0.882 1.00 0.67 C ATOM 1243 CG TYR A 80 18.516 2.709 1.192 1.00 0.80 C ATOM 1244 CD1 TYR A 80 17.147 2.509 1.333 1.00 0.89 C ATOM 1245 CD2 TYR A 80 19.009 3.998 1.354 1.00 1.14 C ATOM 1246 CE1 TYR A 80 16.298 3.559 1.626 1.00 1.24 C ATOM 1247 CE2 TYR A 80 18.166 5.054 1.651 1.00 1.55 C ATOM 1248 CZ TYR A 80 16.810 4.841 1.732 1.00 1.58 C ATOM 1249 OH TYR A 80 15.969 5.873 2.089 1.00 2.03 O ATOM 0 H TYR A 80 20.869 -0.293 -0.032 1.00 0.63 H new ATOM 0 HA TYR A 80 18.456 0.830 -0.873 1.00 0.58 H new ATOM 0 HB2 TYR A 80 19.147 0.685 1.475 1.00 0.67 H new ATOM 0 HB3 TYR A 80 20.458 1.813 1.190 1.00 0.67 H new ATOM 0 HD1 TYR A 80 16.740 1.516 1.211 1.00 0.89 H new ATOM 0 HD2 TYR A 80 20.068 4.179 1.246 1.00 1.14 H new ATOM 0 HE1 TYR A 80 15.243 3.381 1.771 1.00 1.24 H new ATOM 0 HE2 TYR A 80 18.571 6.041 1.818 1.00 1.55 H new ATOM 0 HH TYR A 80 16.059 6.606 1.445 1.00 2.03 H new ATOM 1259 N GLN A 81 21.136 2.537 -1.694 1.00 0.56 N ATOM 1260 CA GLN A 81 21.628 3.611 -2.550 1.00 0.59 C ATOM 1261 C GLN A 81 21.001 3.531 -3.945 1.00 0.54 C ATOM 1262 O GLN A 81 20.649 4.550 -4.539 1.00 0.63 O ATOM 1263 CB GLN A 81 23.157 3.545 -2.645 1.00 0.72 C ATOM 1264 CG GLN A 81 23.768 4.598 -3.561 1.00 0.84 C ATOM 1265 CD GLN A 81 23.441 6.025 -3.148 1.00 1.40 C ATOM 1266 OE1 GLN A 81 23.351 6.916 -3.993 1.00 2.01 O ATOM 1267 NE2 GLN A 81 23.267 6.259 -1.854 1.00 2.18 N ATOM 0 H GLN A 81 21.868 1.946 -1.300 1.00 0.56 H new ATOM 0 HA GLN A 81 21.341 4.565 -2.107 1.00 0.59 H new ATOM 0 HB2 GLN A 81 23.578 3.659 -1.646 1.00 0.72 H new ATOM 0 HB3 GLN A 81 23.446 2.556 -3.002 1.00 0.72 H new ATOM 0 HG2 GLN A 81 24.851 4.471 -3.576 1.00 0.84 H new ATOM 0 HG3 GLN A 81 23.414 4.433 -4.579 1.00 0.84 H new ATOM 0 HE21 GLN A 81 23.349 5.496 -1.182 1.00 2.18 H new ATOM 0 HE22 GLN A 81 23.051 7.202 -1.531 1.00 2.18 H new ATOM 1276 N SER A 82 20.850 2.319 -4.457 1.00 0.48 N ATOM 1277 CA SER A 82 20.245 2.115 -5.763 1.00 0.47 C ATOM 1278 C SER A 82 18.732 2.317 -5.682 1.00 0.40 C ATOM 1279 O SER A 82 18.118 2.891 -6.582 1.00 0.42 O ATOM 1280 CB SER A 82 20.575 0.710 -6.272 1.00 0.55 C ATOM 1281 OG SER A 82 21.974 0.475 -6.222 1.00 1.17 O ATOM 0 H SER A 82 21.139 1.461 -3.987 1.00 0.48 H new ATOM 0 HA SER A 82 20.650 2.846 -6.463 1.00 0.47 H new ATOM 0 HB2 SER A 82 20.054 -0.033 -5.668 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.218 0.595 -7.295 1.00 0.55 H new ATOM 0 HG SER A 82 22.166 -0.429 -6.549 1.00 1.17 H new ATOM 1287 N PHE A 83 18.148 1.866 -4.578 1.00 0.36 N ATOM 1288 CA PHE A 83 16.712 1.983 -4.347 1.00 0.33 C ATOM 1289 C PHE A 83 16.305 3.453 -4.183 1.00 0.31 C ATOM 1290 O PHE A 83 15.304 3.900 -4.745 1.00 0.32 O ATOM 1291 CB PHE A 83 16.338 1.168 -3.096 1.00 0.35 C ATOM 1292 CG PHE A 83 14.863 1.060 -2.829 1.00 0.33 C ATOM 1293 CD1 PHE A 83 14.054 0.294 -3.653 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.283 1.739 -1.768 1.00 0.32 C ATOM 1295 CE1 PHE A 83 12.696 0.204 -3.424 1.00 0.41 C ATOM 1296 CE2 PHE A 83 12.924 1.648 -1.534 1.00 0.34 C ATOM 1297 CZ PHE A 83 12.143 0.839 -2.308 1.00 0.38 C ATOM 0 H PHE A 83 18.654 1.410 -3.819 1.00 0.36 H new ATOM 0 HA PHE A 83 16.173 1.589 -5.209 1.00 0.33 H new ATOM 0 HB2 PHE A 83 16.748 0.163 -3.199 1.00 0.35 H new ATOM 0 HB3 PHE A 83 16.817 1.621 -2.228 1.00 0.35 H new ATOM 0 HD1 PHE A 83 14.491 -0.239 -4.484 1.00 0.38 H new ATOM 0 HD2 PHE A 83 14.899 2.344 -1.119 1.00 0.32 H new ATOM 0 HE1 PHE A 83 12.065 -0.353 -4.102 1.00 0.41 H new ATOM 0 HE2 PHE A 83 12.477 2.220 -0.734 1.00 0.34 H new ATOM 0 HZ PHE A 83 11.103 0.690 -2.059 1.00 0.38 H new ATOM 1307 N GLU A 84 17.115 4.198 -3.439 1.00 0.34 N ATOM 1308 CA GLU A 84 16.850 5.605 -3.139 1.00 0.39 C ATOM 1309 C GLU A 84 16.810 6.448 -4.411 1.00 0.37 C ATOM 1310 O GLU A 84 15.913 7.266 -4.590 1.00 0.40 O ATOM 1311 CB GLU A 84 17.930 6.132 -2.180 1.00 0.51 C ATOM 1312 CG GLU A 84 17.847 7.621 -1.885 1.00 0.64 C ATOM 1313 CD GLU A 84 16.572 8.021 -1.173 1.00 0.90 C ATOM 1314 OE1 GLU A 84 16.398 7.640 0.003 1.00 0.95 O ATOM 1315 OE2 GLU A 84 15.758 8.753 -1.773 1.00 1.58 O ATOM 0 H GLU A 84 17.977 3.844 -3.024 1.00 0.34 H new ATOM 0 HA GLU A 84 15.871 5.681 -2.666 1.00 0.39 H new ATOM 0 HB2 GLU A 84 17.860 5.585 -1.240 1.00 0.51 H new ATOM 0 HB3 GLU A 84 18.910 5.914 -2.603 1.00 0.51 H new ATOM 0 HG2 GLU A 84 18.702 7.911 -1.275 1.00 0.64 H new ATOM 0 HG3 GLU A 84 17.921 8.174 -2.821 1.00 0.64 H new ATOM 1322 N GLN A 85 17.764 6.221 -5.305 1.00 0.37 N ATOM 1323 CA GLN A 85 17.861 7.007 -6.536 1.00 0.42 C ATOM 1324 C GLN A 85 16.614 6.847 -7.400 1.00 0.38 C ATOM 1325 O GLN A 85 16.309 7.704 -8.229 1.00 0.46 O ATOM 1326 CB GLN A 85 19.103 6.603 -7.330 1.00 0.50 C ATOM 1327 CG GLN A 85 20.415 6.999 -6.665 1.00 0.61 C ATOM 1328 CD GLN A 85 21.623 6.422 -7.372 1.00 1.44 C ATOM 1329 OE1 GLN A 85 22.179 7.036 -8.282 1.00 1.90 O ATOM 1330 NE2 GLN A 85 22.043 5.237 -6.955 1.00 2.16 N ATOM 0 H GLN A 85 18.481 5.502 -5.205 1.00 0.37 H new ATOM 0 HA GLN A 85 17.943 8.056 -6.252 1.00 0.42 H new ATOM 0 HB2 GLN A 85 19.093 5.523 -7.477 1.00 0.50 H new ATOM 0 HB3 GLN A 85 19.055 7.060 -8.318 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.495 8.086 -6.646 1.00 0.61 H new ATOM 0 HG3 GLN A 85 20.409 6.661 -5.629 1.00 0.61 H new ATOM 0 HE21 GLN A 85 21.554 4.760 -6.197 1.00 2.16 H new ATOM 0 HE22 GLN A 85 22.855 4.801 -7.392 1.00 2.16 H new ATOM 1339 N VAL A 86 15.894 5.754 -7.195 1.00 0.31 N ATOM 1340 CA VAL A 86 14.667 5.498 -7.928 1.00 0.31 C ATOM 1341 C VAL A 86 13.488 6.140 -7.212 1.00 0.29 C ATOM 1342 O VAL A 86 12.764 6.959 -7.782 1.00 0.32 O ATOM 1343 CB VAL A 86 14.401 3.987 -8.059 1.00 0.33 C ATOM 1344 CG1 VAL A 86 13.129 3.733 -8.853 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.590 3.289 -8.700 1.00 0.36 C ATOM 0 H VAL A 86 16.142 5.028 -6.523 1.00 0.31 H new ATOM 0 HA VAL A 86 14.782 5.926 -8.924 1.00 0.31 H new ATOM 0 HB VAL A 86 14.263 3.574 -7.060 1.00 0.33 H new ATOM 0 HG11 VAL A 86 12.959 2.659 -8.934 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.284 4.197 -8.344 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.231 4.161 -9.850 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.384 2.222 -8.784 1.00 0.36 H new ATOM 0 HG22 VAL A 86 15.764 3.704 -9.693 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.476 3.439 -8.083 1.00 0.36 H new ATOM 1355 N VAL A 87 13.310 5.766 -5.951 1.00 0.28 N ATOM 1356 CA VAL A 87 12.178 6.223 -5.160 1.00 0.32 C ATOM 1357 C VAL A 87 12.239 7.724 -4.894 1.00 0.35 C ATOM 1358 O VAL A 87 11.255 8.335 -4.477 1.00 0.37 O ATOM 1359 CB VAL A 87 12.087 5.461 -3.829 1.00 0.38 C ATOM 1360 CG1 VAL A 87 12.096 3.968 -4.092 1.00 0.38 C ATOM 1361 CG2 VAL A 87 13.216 5.854 -2.889 1.00 0.41 C ATOM 0 H VAL A 87 13.943 5.141 -5.452 1.00 0.28 H new ATOM 0 HA VAL A 87 11.282 6.018 -5.746 1.00 0.32 H new ATOM 0 HB VAL A 87 11.150 5.728 -3.340 1.00 0.38 H new ATOM 0 HG11 VAL A 87 12.031 3.431 -3.145 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.244 3.704 -4.718 1.00 0.38 H new ATOM 0 HG13 VAL A 87 13.020 3.694 -4.602 1.00 0.38 H new ATOM 0 HG21 VAL A 87 13.123 5.298 -1.956 1.00 0.41 H new ATOM 0 HG22 VAL A 87 14.174 5.624 -3.355 1.00 0.41 H new ATOM 0 HG23 VAL A 87 13.161 6.923 -2.681 1.00 0.41 H new ATOM 1371 N ASN A 88 13.394 8.317 -5.153 1.00 0.38 N ATOM 1372 CA ASN A 88 13.555 9.761 -5.037 1.00 0.47 C ATOM 1373 C ASN A 88 12.660 10.469 -6.047 1.00 0.44 C ATOM 1374 O ASN A 88 12.215 11.594 -5.820 1.00 0.45 O ATOM 1375 CB ASN A 88 15.016 10.171 -5.259 1.00 0.61 C ATOM 1376 CG ASN A 88 15.251 11.648 -4.990 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.591 12.250 -4.140 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.189 12.243 -5.710 1.00 0.97 N ATOM 0 H ASN A 88 14.236 7.821 -5.446 1.00 0.38 H new ATOM 0 HA ASN A 88 13.265 10.055 -4.028 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.659 9.579 -4.608 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.303 9.941 -6.285 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.387 13.234 -5.571 1.00 0.97 H new ATOM 0 HD22 ASN A 88 16.714 11.711 -6.404 1.00 0.97 H new ATOM 1385 N GLU A 89 12.362 9.788 -7.150 1.00 0.42 N ATOM 1386 CA GLU A 89 11.500 10.352 -8.182 1.00 0.45 C ATOM 1387 C GLU A 89 10.059 10.440 -7.694 1.00 0.38 C ATOM 1388 O GLU A 89 9.222 11.084 -8.321 1.00 0.43 O ATOM 1389 CB GLU A 89 11.571 9.532 -9.472 1.00 0.54 C ATOM 1390 CG GLU A 89 12.905 9.642 -10.192 1.00 0.65 C ATOM 1391 CD GLU A 89 12.874 9.006 -11.564 1.00 1.23 C ATOM 1392 OE1 GLU A 89 12.153 9.514 -12.448 1.00 1.28 O ATOM 1393 OE2 GLU A 89 13.564 7.983 -11.765 1.00 2.04 O ATOM 0 H GLU A 89 12.704 8.848 -7.351 1.00 0.42 H new ATOM 0 HA GLU A 89 11.858 11.359 -8.397 1.00 0.45 H new ATOM 0 HB2 GLU A 89 11.380 8.485 -9.238 1.00 0.54 H new ATOM 0 HB3 GLU A 89 10.777 9.858 -10.144 1.00 0.54 H new ATOM 0 HG2 GLU A 89 13.177 10.693 -10.288 1.00 0.65 H new ATOM 0 HG3 GLU A 89 13.680 9.165 -9.591 1.00 0.65 H new ATOM 1400 N LEU A 90 9.775 9.780 -6.580 1.00 0.31 N ATOM 1401 CA LEU A 90 8.467 9.872 -5.955 1.00 0.27 C ATOM 1402 C LEU A 90 8.400 11.132 -5.105 1.00 0.25 C ATOM 1403 O LEU A 90 7.425 11.879 -5.148 1.00 0.26 O ATOM 1404 CB LEU A 90 8.205 8.649 -5.077 1.00 0.26 C ATOM 1405 CG LEU A 90 8.405 7.299 -5.758 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.260 6.180 -4.744 1.00 0.31 C ATOM 1407 CD2 LEU A 90 7.419 7.120 -6.898 1.00 0.37 C ATOM 0 H LEU A 90 10.435 9.175 -6.091 1.00 0.31 H new ATOM 0 HA LEU A 90 7.707 9.911 -6.735 1.00 0.27 H new ATOM 0 HB2 LEU A 90 8.861 8.699 -4.208 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.181 8.702 -4.706 1.00 0.26 H new ATOM 0 HG LEU A 90 9.411 7.265 -6.176 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.404 5.220 -5.239 1.00 0.31 H new ATOM 0 HD12 LEU A 90 9.008 6.300 -3.960 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.264 6.215 -4.303 1.00 0.31 H new ATOM 0 HD21 LEU A 90 7.580 6.150 -7.369 1.00 0.37 H new ATOM 0 HD22 LEU A 90 6.402 7.171 -6.510 1.00 0.37 H new ATOM 0 HD23 LEU A 90 7.567 7.910 -7.634 1.00 0.37 H new ATOM 1419 N PHE A 91 9.465 11.364 -4.350 1.00 0.27 N ATOM 1420 CA PHE A 91 9.546 12.508 -3.452 1.00 0.29 C ATOM 1421 C PHE A 91 9.731 13.795 -4.251 1.00 0.33 C ATOM 1422 O PHE A 91 9.096 14.814 -3.970 1.00 0.33 O ATOM 1423 CB PHE A 91 10.713 12.317 -2.477 1.00 0.35 C ATOM 1424 CG PHE A 91 10.599 13.129 -1.218 1.00 0.37 C ATOM 1425 CD1 PHE A 91 11.117 14.413 -1.166 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.972 12.616 -0.094 1.00 0.37 C ATOM 1427 CE1 PHE A 91 11.012 15.170 -0.017 1.00 0.53 C ATOM 1428 CE2 PHE A 91 9.865 13.370 1.058 1.00 0.43 C ATOM 1429 CZ PHE A 91 10.393 14.609 1.122 1.00 0.50 C ATOM 0 H PHE A 91 10.293 10.768 -4.342 1.00 0.27 H new ATOM 0 HA PHE A 91 8.617 12.583 -2.886 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.782 11.262 -2.211 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.642 12.579 -2.983 1.00 0.35 H new ATOM 0 HD1 PHE A 91 11.608 14.826 -2.034 1.00 0.46 H new ATOM 0 HD2 PHE A 91 9.563 11.617 -0.119 1.00 0.37 H new ATOM 0 HE1 PHE A 91 11.398 16.178 0.011 1.00 0.53 H new ATOM 0 HE2 PHE A 91 9.353 12.963 1.917 1.00 0.43 H new ATOM 0 HZ PHE A 91 10.343 15.172 2.043 1.00 0.50 H new ATOM 1439 N ARG A 92 10.584 13.727 -5.269 1.00 0.39 N ATOM 1440 CA ARG A 92 10.893 14.883 -6.105 1.00 0.49 C ATOM 1441 C ARG A 92 9.719 15.218 -7.029 1.00 0.51 C ATOM 1442 O ARG A 92 9.660 16.293 -7.622 1.00 0.62 O ATOM 1443 CB ARG A 92 12.159 14.596 -6.921 1.00 0.56 C ATOM 1444 CG ARG A 92 12.630 15.754 -7.789 1.00 1.24 C ATOM 1445 CD ARG A 92 13.879 15.380 -8.568 1.00 1.54 C ATOM 1446 NE ARG A 92 14.352 16.473 -9.417 1.00 2.30 N ATOM 1447 CZ ARG A 92 15.454 16.403 -10.164 1.00 2.99 C ATOM 1448 NH1 ARG A 92 16.187 15.295 -10.166 1.00 3.13 N ATOM 1449 NH2 ARG A 92 15.821 17.434 -10.916 1.00 3.95 N ATOM 0 H ARG A 92 11.078 12.875 -5.537 1.00 0.39 H new ATOM 0 HA ARG A 92 11.067 15.748 -5.465 1.00 0.49 H new ATOM 0 HB2 ARG A 92 12.962 14.322 -6.237 1.00 0.56 H new ATOM 0 HB3 ARG A 92 11.976 13.732 -7.559 1.00 0.56 H new ATOM 0 HG2 ARG A 92 11.838 16.040 -8.481 1.00 1.24 H new ATOM 0 HG3 ARG A 92 12.835 16.622 -7.163 1.00 1.24 H new ATOM 0 HD2 ARG A 92 14.668 15.097 -7.871 1.00 1.54 H new ATOM 0 HD3 ARG A 92 13.671 14.507 -9.186 1.00 1.54 H new ATOM 0 HE ARG A 92 13.809 17.336 -9.439 1.00 2.30 H new ATOM 0 HH11 ARG A 92 15.907 14.497 -9.596 1.00 3.13 H new ATOM 0 HH12 ARG A 92 17.030 15.242 -10.738 1.00 3.13 H new ATOM 0 HH21 ARG A 92 15.259 18.285 -10.924 1.00 3.95 H new ATOM 0 HH22 ARG A 92 16.665 17.375 -11.486 1.00 3.95 H new ATOM 1463 N ASP A 93 8.772 14.293 -7.120 1.00 0.46 N ATOM 1464 CA ASP A 93 7.595 14.469 -7.972 1.00 0.53 C ATOM 1465 C ASP A 93 6.566 15.356 -7.269 1.00 0.50 C ATOM 1466 O ASP A 93 5.513 15.668 -7.820 1.00 0.60 O ATOM 1467 CB ASP A 93 6.975 13.096 -8.294 1.00 0.62 C ATOM 1468 CG ASP A 93 5.967 13.132 -9.430 1.00 0.90 C ATOM 1469 OD1 ASP A 93 4.767 13.359 -9.167 1.00 1.11 O ATOM 1470 OD2 ASP A 93 6.369 12.894 -10.590 1.00 1.14 O ATOM 0 H ASP A 93 8.793 13.408 -6.613 1.00 0.46 H new ATOM 0 HA ASP A 93 7.898 14.951 -8.902 1.00 0.53 H new ATOM 0 HB2 ASP A 93 7.772 12.398 -8.550 1.00 0.62 H new ATOM 0 HB3 ASP A 93 6.487 12.709 -7.399 1.00 0.62 H new ATOM 1475 N GLY A 94 6.890 15.790 -6.057 1.00 0.45 N ATOM 1476 CA GLY A 94 5.910 16.501 -5.260 1.00 0.47 C ATOM 1477 C GLY A 94 5.110 15.543 -4.413 1.00 0.39 C ATOM 1478 O GLY A 94 3.918 15.748 -4.214 1.00 0.42 O ATOM 0 H GLY A 94 7.801 15.665 -5.617 1.00 0.45 H new ATOM 0 HA2 GLY A 94 6.412 17.226 -4.620 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.241 17.061 -5.913 1.00 0.47 H new ATOM 1482 N VAL A 95 5.797 14.484 -3.960 1.00 0.32 N ATOM 1483 CA VAL A 95 5.207 13.328 -3.266 1.00 0.26 C ATOM 1484 C VAL A 95 3.824 13.585 -2.663 1.00 0.25 C ATOM 1485 O VAL A 95 3.658 14.354 -1.715 1.00 0.29 O ATOM 1486 CB VAL A 95 6.161 12.799 -2.165 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.572 13.909 -1.210 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.521 11.641 -1.407 1.00 0.33 C ATOM 0 H VAL A 95 6.808 14.405 -4.069 1.00 0.32 H new ATOM 0 HA VAL A 95 5.069 12.576 -4.043 1.00 0.26 H new ATOM 0 HB VAL A 95 7.063 12.431 -2.654 1.00 0.31 H new ATOM 0 HG11 VAL A 95 7.241 13.506 -0.450 1.00 0.40 H new ATOM 0 HG12 VAL A 95 7.085 14.695 -1.765 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.685 14.323 -0.730 1.00 0.40 H new ATOM 0 HG21 VAL A 95 6.208 11.285 -0.639 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.597 11.979 -0.939 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.300 10.830 -2.101 1.00 0.33 H new ATOM 1498 N ASN A 96 2.833 12.957 -3.269 1.00 0.24 N ATOM 1499 CA ASN A 96 1.476 12.946 -2.743 1.00 0.29 C ATOM 1500 C ASN A 96 1.156 11.544 -2.238 1.00 0.23 C ATOM 1501 O ASN A 96 2.011 10.657 -2.301 1.00 0.21 O ATOM 1502 CB ASN A 96 0.459 13.380 -3.809 1.00 0.41 C ATOM 1503 CG ASN A 96 0.622 14.827 -4.237 1.00 1.33 C ATOM 1504 OD1 ASN A 96 0.295 15.191 -5.368 1.00 2.13 O ATOM 1505 ND2 ASN A 96 1.128 15.662 -3.343 1.00 2.00 N ATOM 0 H ASN A 96 2.944 12.439 -4.141 1.00 0.24 H new ATOM 0 HA ASN A 96 1.408 13.660 -1.922 1.00 0.29 H new ATOM 0 HB2 ASN A 96 0.561 12.736 -4.682 1.00 0.41 H new ATOM 0 HB3 ASN A 96 -0.549 13.234 -3.421 1.00 0.41 H new ATOM 0 HD21 ASN A 96 1.259 16.645 -3.580 1.00 2.00 H new ATOM 0 HD22 ASN A 96 1.387 15.322 -2.417 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.058 11.338 -1.739 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.451 10.040 -1.193 1.00 0.24 C ATOM 1514 C TRP A 97 -0.296 8.925 -2.234 1.00 0.25 C ATOM 1515 O TRP A 97 0.036 7.789 -1.890 1.00 0.25 O ATOM 1516 CB TRP A 97 -1.890 10.087 -0.665 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.082 11.076 0.453 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -2.756 12.261 0.392 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.583 10.970 1.795 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -2.707 12.896 1.608 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -1.994 12.125 2.485 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.830 10.013 2.483 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.678 12.349 3.822 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.518 10.236 3.812 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -0.941 11.397 4.467 1.00 0.30 C ATOM 0 H TRP A 97 -0.787 12.050 -1.700 1.00 0.25 H new ATOM 0 HA TRP A 97 0.217 9.815 -0.361 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.562 10.341 -1.485 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.174 9.094 -0.315 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.256 12.644 -0.486 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.133 13.797 1.823 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.498 9.114 1.985 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -2.004 13.244 4.331 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 0.061 9.502 4.352 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.679 11.544 5.505 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.504 9.262 -3.505 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.363 8.289 -4.576 1.00 0.29 C ATOM 1538 C GLY A 98 1.068 7.804 -4.749 1.00 0.26 C ATOM 1539 O GLY A 98 1.302 6.711 -5.264 1.00 0.27 O ATOM 0 H GLY A 98 -0.769 10.197 -3.813 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -1.009 7.435 -4.372 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.707 8.732 -5.511 1.00 0.29 H new ATOM 1543 N ARG A 99 2.031 8.606 -4.310 1.00 0.26 N ATOM 1544 CA ARG A 99 3.437 8.221 -4.406 1.00 0.25 C ATOM 1545 C ARG A 99 3.759 7.179 -3.352 1.00 0.21 C ATOM 1546 O ARG A 99 4.583 6.295 -3.570 1.00 0.20 O ATOM 1547 CB ARG A 99 4.373 9.424 -4.246 1.00 0.30 C ATOM 1548 CG ARG A 99 4.305 10.448 -5.375 1.00 0.70 C ATOM 1549 CD ARG A 99 4.598 9.835 -6.741 1.00 1.40 C ATOM 1550 NE ARG A 99 3.432 9.156 -7.315 1.00 1.74 N ATOM 1551 CZ ARG A 99 3.436 8.543 -8.501 1.00 2.46 C ATOM 1552 NH1 ARG A 99 4.556 8.489 -9.217 1.00 3.06 N ATOM 1553 NH2 ARG A 99 2.326 7.984 -8.971 1.00 2.98 N ATOM 0 H ARG A 99 1.868 9.520 -3.887 1.00 0.26 H new ATOM 0 HA ARG A 99 3.597 7.805 -5.401 1.00 0.25 H new ATOM 0 HB2 ARG A 99 4.139 9.925 -3.307 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.397 9.060 -4.167 1.00 0.30 H new ATOM 0 HG2 ARG A 99 3.314 10.902 -5.390 1.00 0.70 H new ATOM 0 HG3 ARG A 99 5.019 11.248 -5.179 1.00 0.70 H new ATOM 0 HD2 ARG A 99 4.930 10.618 -7.423 1.00 1.40 H new ATOM 0 HD3 ARG A 99 5.419 9.124 -6.648 1.00 1.40 H new ATOM 0 HE ARG A 99 2.566 9.152 -6.776 1.00 1.74 H new ATOM 0 HH11 ARG A 99 5.411 8.916 -8.860 1.00 3.06 H new ATOM 0 HH12 ARG A 99 4.560 8.021 -10.123 1.00 3.06 H new ATOM 0 HH21 ARG A 99 1.465 8.022 -8.425 1.00 2.98 H new ATOM 0 HH22 ARG A 99 2.335 7.517 -9.878 1.00 2.98 H new ATOM 1567 N ILE A 100 3.089 7.286 -2.214 1.00 0.22 N ATOM 1568 CA ILE A 100 3.223 6.306 -1.152 1.00 0.21 C ATOM 1569 C ILE A 100 2.634 4.982 -1.618 1.00 0.20 C ATOM 1570 O ILE A 100 3.188 3.912 -1.371 1.00 0.19 O ATOM 1571 CB ILE A 100 2.514 6.782 0.135 1.00 0.24 C ATOM 1572 CG1 ILE A 100 3.146 8.087 0.632 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.569 5.708 1.211 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.600 8.560 1.960 1.00 0.30 C ATOM 0 H ILE A 100 2.444 8.048 -2.004 1.00 0.22 H new ATOM 0 HA ILE A 100 4.281 6.178 -0.921 1.00 0.21 H new ATOM 0 HB ILE A 100 1.465 6.970 -0.094 1.00 0.24 H new ATOM 0 HG12 ILE A 100 4.223 7.948 0.721 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.986 8.865 -0.114 1.00 0.26 H new ATOM 0 HG21 ILE A 100 2.064 6.066 2.108 1.00 0.24 H new ATOM 0 HG22 ILE A 100 2.074 4.806 0.851 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.609 5.482 1.446 1.00 0.24 H new ATOM 0 HD11 ILE A 100 3.094 9.488 2.247 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.527 8.733 1.872 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.784 7.801 2.720 1.00 0.30 H new ATOM 1586 N VAL A 101 1.513 5.079 -2.319 1.00 0.21 N ATOM 1587 CA VAL A 101 0.888 3.928 -2.943 1.00 0.21 C ATOM 1588 C VAL A 101 1.869 3.250 -3.884 1.00 0.20 C ATOM 1589 O VAL A 101 2.121 2.047 -3.785 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.348 4.346 -3.749 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.005 3.137 -4.374 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.325 5.093 -2.872 1.00 0.26 C ATOM 0 H VAL A 101 1.015 5.956 -2.469 1.00 0.21 H new ATOM 0 HA VAL A 101 0.588 3.242 -2.151 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.030 5.014 -4.549 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -1.880 3.452 -4.942 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.298 2.643 -5.040 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.311 2.444 -3.591 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.196 5.382 -3.461 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.640 4.451 -2.049 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -0.845 5.986 -2.472 1.00 0.26 H new ATOM 1602 N ALA A 102 2.411 4.044 -4.798 1.00 0.19 N ATOM 1603 CA ALA A 102 3.384 3.562 -5.760 1.00 0.19 C ATOM 1604 C ALA A 102 4.564 2.912 -5.051 1.00 0.17 C ATOM 1605 O ALA A 102 5.003 1.828 -5.428 1.00 0.19 O ATOM 1606 CB ALA A 102 3.856 4.707 -6.638 1.00 0.21 C ATOM 0 H ALA A 102 2.188 5.035 -4.891 1.00 0.19 H new ATOM 0 HA ALA A 102 2.910 2.809 -6.389 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.586 4.337 -7.357 1.00 0.21 H new ATOM 0 HB2 ALA A 102 3.005 5.132 -7.171 1.00 0.21 H new ATOM 0 HB3 ALA A 102 4.316 5.476 -6.017 1.00 0.21 H new ATOM 1612 N PHE A 103 5.039 3.573 -4.000 1.00 0.16 N ATOM 1613 CA PHE A 103 6.185 3.102 -3.226 1.00 0.17 C ATOM 1614 C PHE A 103 5.942 1.693 -2.694 1.00 0.17 C ATOM 1615 O PHE A 103 6.820 0.832 -2.760 1.00 0.21 O ATOM 1616 CB PHE A 103 6.465 4.073 -2.067 1.00 0.17 C ATOM 1617 CG PHE A 103 7.651 3.699 -1.221 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.937 3.953 -1.664 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.482 3.092 0.017 1.00 0.17 C ATOM 1620 CE1 PHE A 103 10.030 3.610 -0.893 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.571 2.748 0.790 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.848 3.007 0.334 1.00 0.26 C ATOM 0 H PHE A 103 4.642 4.449 -3.660 1.00 0.16 H new ATOM 0 HA PHE A 103 7.056 3.067 -3.881 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.624 5.071 -2.475 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.581 4.126 -1.431 1.00 0.17 H new ATOM 0 HD1 PHE A 103 9.088 4.425 -2.624 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.485 2.887 0.379 1.00 0.17 H new ATOM 0 HE1 PHE A 103 11.028 3.814 -1.251 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.425 2.277 1.751 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.703 2.738 0.937 1.00 0.26 H new ATOM 1632 N PHE A 104 4.742 1.460 -2.188 1.00 0.16 N ATOM 1633 CA PHE A 104 4.386 0.157 -1.647 1.00 0.18 C ATOM 1634 C PHE A 104 4.174 -0.855 -2.767 1.00 0.19 C ATOM 1635 O PHE A 104 4.537 -2.025 -2.635 1.00 0.23 O ATOM 1636 CB PHE A 104 3.129 0.261 -0.780 1.00 0.19 C ATOM 1637 CG PHE A 104 3.394 0.736 0.625 1.00 0.21 C ATOM 1638 CD1 PHE A 104 3.980 1.970 0.867 1.00 0.24 C ATOM 1639 CD2 PHE A 104 3.058 -0.061 1.707 1.00 0.29 C ATOM 1640 CE1 PHE A 104 4.220 2.399 2.156 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.295 0.363 2.999 1.00 0.33 C ATOM 1642 CZ PHE A 104 3.877 1.594 3.225 1.00 0.30 C ATOM 0 H PHE A 104 3.998 2.156 -2.140 1.00 0.16 H new ATOM 0 HA PHE A 104 5.211 -0.188 -1.024 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.426 0.944 -1.257 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.647 -0.716 -0.738 1.00 0.19 H new ATOM 0 HD1 PHE A 104 4.252 2.603 0.035 1.00 0.24 H new ATOM 0 HD2 PHE A 104 2.605 -1.027 1.538 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.675 3.363 2.329 1.00 0.27 H new ATOM 0 HE2 PHE A 104 3.025 -0.268 3.833 1.00 0.33 H new ATOM 0 HZ PHE A 104 4.064 1.927 4.235 1.00 0.30 H new ATOM 1652 N SER A 105 3.611 -0.392 -3.875 1.00 0.18 N ATOM 1653 CA SER A 105 3.353 -1.255 -5.020 1.00 0.21 C ATOM 1654 C SER A 105 4.662 -1.766 -5.621 1.00 0.21 C ATOM 1655 O SER A 105 4.732 -2.904 -6.092 1.00 0.23 O ATOM 1656 CB SER A 105 2.542 -0.500 -6.077 1.00 0.25 C ATOM 1657 OG SER A 105 1.350 0.029 -5.519 1.00 1.04 O ATOM 0 H SER A 105 3.324 0.578 -4.005 1.00 0.18 H new ATOM 0 HA SER A 105 2.776 -2.115 -4.679 1.00 0.21 H new ATOM 0 HB2 SER A 105 3.143 0.308 -6.493 1.00 0.25 H new ATOM 0 HB3 SER A 105 2.296 -1.171 -6.900 1.00 0.25 H new ATOM 0 HG SER A 105 1.571 0.771 -4.918 1.00 1.04 H new ATOM 1663 N PHE A 106 5.701 -0.929 -5.590 1.00 0.20 N ATOM 1664 CA PHE A 106 7.007 -1.311 -6.120 1.00 0.21 C ATOM 1665 C PHE A 106 7.554 -2.509 -5.365 1.00 0.22 C ATOM 1666 O PHE A 106 8.003 -3.479 -5.973 1.00 0.24 O ATOM 1667 CB PHE A 106 8.008 -0.152 -6.036 1.00 0.23 C ATOM 1668 CG PHE A 106 7.629 1.047 -6.855 1.00 0.24 C ATOM 1669 CD1 PHE A 106 7.030 0.888 -8.095 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.877 2.329 -6.395 1.00 0.27 C ATOM 1671 CE1 PHE A 106 6.690 1.986 -8.858 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.536 3.431 -7.153 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.910 3.271 -8.353 1.00 0.33 C ATOM 0 H PHE A 106 5.662 0.014 -5.204 1.00 0.20 H new ATOM 0 HA PHE A 106 6.871 -1.573 -7.169 1.00 0.21 H new ATOM 0 HB2 PHE A 106 8.110 0.151 -4.994 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.986 -0.507 -6.362 1.00 0.23 H new ATOM 0 HD1 PHE A 106 6.827 -0.105 -8.467 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.343 2.469 -5.431 1.00 0.27 H new ATOM 0 HE1 PHE A 106 6.257 1.854 -9.839 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.766 4.423 -6.794 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.584 4.135 -8.913 1.00 0.33 H new ATOM 1683 N GLY A 107 7.497 -2.448 -4.038 1.00 0.23 N ATOM 1684 CA GLY A 107 7.958 -3.558 -3.230 1.00 0.27 C ATOM 1685 C GLY A 107 7.187 -4.826 -3.529 1.00 0.32 C ATOM 1686 O GLY A 107 7.749 -5.920 -3.512 1.00 0.37 O ATOM 0 H GLY A 107 7.140 -1.651 -3.511 1.00 0.23 H new ATOM 0 HA2 GLY A 107 9.019 -3.726 -3.413 1.00 0.27 H new ATOM 0 HA3 GLY A 107 7.852 -3.308 -2.174 1.00 0.27 H new ATOM 1690 N GLY A 108 5.900 -4.668 -3.818 1.00 0.33 N ATOM 1691 CA GLY A 108 5.056 -5.796 -4.172 1.00 0.41 C ATOM 1692 C GLY A 108 5.537 -6.515 -5.419 1.00 0.42 C ATOM 1693 O GLY A 108 5.279 -7.702 -5.596 1.00 0.63 O ATOM 0 H GLY A 108 5.421 -3.768 -3.813 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.027 -6.499 -3.340 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.036 -5.447 -4.329 1.00 0.41 H new ATOM 1697 N ALA A 109 6.231 -5.794 -6.285 1.00 0.27 N ATOM 1698 CA ALA A 109 6.832 -6.391 -7.467 1.00 0.26 C ATOM 1699 C ALA A 109 8.244 -6.863 -7.161 1.00 0.23 C ATOM 1700 O ALA A 109 8.640 -7.968 -7.542 1.00 0.24 O ATOM 1701 CB ALA A 109 6.851 -5.389 -8.606 1.00 0.29 C ATOM 0 H ALA A 109 6.392 -4.791 -6.191 1.00 0.27 H new ATOM 0 HA ALA A 109 6.234 -7.252 -7.765 1.00 0.26 H new ATOM 0 HB1 ALA A 109 7.303 -5.847 -9.486 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.831 -5.084 -8.839 1.00 0.29 H new ATOM 0 HB3 ALA A 109 7.433 -4.515 -8.312 1.00 0.29 H new ATOM 1707 N LEU A 110 8.982 -6.017 -6.449 1.00 0.22 N ATOM 1708 CA LEU A 110 10.360 -6.287 -6.075 1.00 0.23 C ATOM 1709 C LEU A 110 10.491 -7.615 -5.354 1.00 0.21 C ATOM 1710 O LEU A 110 11.337 -8.438 -5.699 1.00 0.21 O ATOM 1711 CB LEU A 110 10.875 -5.170 -5.171 1.00 0.25 C ATOM 1712 CG LEU A 110 11.021 -3.813 -5.841 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.366 -2.755 -4.813 1.00 0.32 C ATOM 1714 CD2 LEU A 110 12.084 -3.880 -6.915 1.00 0.36 C ATOM 0 H LEU A 110 8.635 -5.118 -6.114 1.00 0.22 H new ATOM 0 HA LEU A 110 10.952 -6.334 -6.989 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.197 -5.068 -4.323 1.00 0.25 H new ATOM 0 HB3 LEU A 110 11.844 -5.466 -4.770 1.00 0.25 H new ATOM 0 HG LEU A 110 10.073 -3.542 -6.306 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.468 -1.788 -5.306 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.573 -2.700 -4.067 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.306 -3.014 -4.325 1.00 0.32 H new ATOM 0 HD21 LEU A 110 12.183 -2.904 -7.390 1.00 0.36 H new ATOM 0 HD22 LEU A 110 13.036 -4.164 -6.467 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.800 -4.621 -7.662 1.00 0.36 H new ATOM 1726 N CYS A 111 9.651 -7.813 -4.348 1.00 0.21 N ATOM 1727 CA CYS A 111 9.707 -9.013 -3.530 1.00 0.21 C ATOM 1728 C CYS A 111 9.550 -10.267 -4.381 1.00 0.21 C ATOM 1729 O CYS A 111 10.213 -11.278 -4.147 1.00 0.25 O ATOM 1730 CB CYS A 111 8.625 -8.964 -2.450 1.00 0.22 C ATOM 1731 SG CYS A 111 6.951 -8.734 -3.084 1.00 1.34 S ATOM 0 H CYS A 111 8.920 -7.154 -4.079 1.00 0.21 H new ATOM 0 HA CYS A 111 10.685 -9.053 -3.051 1.00 0.21 H new ATOM 0 HB2 CYS A 111 8.659 -9.890 -1.876 1.00 0.22 H new ATOM 0 HB3 CYS A 111 8.854 -8.152 -1.760 1.00 0.22 H new ATOM 0 HG CYS A 111 6.791 -7.496 -3.447 1.00 1.34 H new ATOM 1737 N VAL A 112 8.694 -10.177 -5.386 1.00 0.19 N ATOM 1738 CA VAL A 112 8.416 -11.299 -6.259 1.00 0.20 C ATOM 1739 C VAL A 112 9.617 -11.616 -7.134 1.00 0.22 C ATOM 1740 O VAL A 112 10.123 -12.741 -7.130 1.00 0.25 O ATOM 1741 CB VAL A 112 7.201 -11.005 -7.154 1.00 0.23 C ATOM 1742 CG1 VAL A 112 6.950 -12.158 -8.106 1.00 0.27 C ATOM 1743 CG2 VAL A 112 5.971 -10.731 -6.305 1.00 0.25 C ATOM 0 H VAL A 112 8.177 -9.329 -5.616 1.00 0.19 H new ATOM 0 HA VAL A 112 8.198 -12.160 -5.627 1.00 0.20 H new ATOM 0 HB VAL A 112 7.414 -10.115 -7.746 1.00 0.23 H new ATOM 0 HG11 VAL A 112 6.086 -11.932 -8.731 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.826 -12.306 -8.737 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.757 -13.066 -7.535 1.00 0.27 H new ATOM 0 HG21 VAL A 112 5.120 -10.525 -6.954 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.754 -11.602 -5.687 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.156 -9.869 -5.664 1.00 0.25 H new ATOM 1753 N GLU A 113 10.069 -10.616 -7.883 1.00 0.22 N ATOM 1754 CA GLU A 113 11.183 -10.802 -8.803 1.00 0.25 C ATOM 1755 C GLU A 113 12.446 -11.230 -8.060 1.00 0.25 C ATOM 1756 O GLU A 113 13.292 -11.922 -8.616 1.00 0.30 O ATOM 1757 CB GLU A 113 11.439 -9.537 -9.631 1.00 0.29 C ATOM 1758 CG GLU A 113 11.813 -8.311 -8.815 1.00 0.30 C ATOM 1759 CD GLU A 113 12.090 -7.103 -9.691 1.00 0.39 C ATOM 1760 OE1 GLU A 113 13.250 -6.923 -10.117 1.00 0.50 O ATOM 1761 OE2 GLU A 113 11.151 -6.316 -9.941 1.00 0.51 O ATOM 0 H GLU A 113 9.682 -9.672 -7.871 1.00 0.22 H new ATOM 0 HA GLU A 113 10.910 -11.602 -9.491 1.00 0.25 H new ATOM 0 HB2 GLU A 113 12.238 -9.741 -10.343 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.544 -9.312 -10.212 1.00 0.29 H new ATOM 0 HG2 GLU A 113 11.005 -8.078 -8.122 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.695 -8.532 -8.214 1.00 0.30 H new ATOM 1768 N SER A 114 12.551 -10.844 -6.792 1.00 0.23 N ATOM 1769 CA SER A 114 13.677 -11.250 -5.966 1.00 0.28 C ATOM 1770 C SER A 114 13.699 -12.762 -5.808 1.00 0.27 C ATOM 1771 O SER A 114 14.737 -13.398 -5.980 1.00 0.31 O ATOM 1772 CB SER A 114 13.612 -10.579 -4.593 1.00 0.33 C ATOM 1773 OG SER A 114 13.721 -9.177 -4.715 1.00 0.99 O ATOM 0 H SER A 114 11.870 -10.252 -6.317 1.00 0.23 H new ATOM 0 HA SER A 114 14.595 -10.934 -6.462 1.00 0.28 H new ATOM 0 HB2 SER A 114 12.673 -10.834 -4.103 1.00 0.33 H new ATOM 0 HB3 SER A 114 14.415 -10.957 -3.960 1.00 0.33 H new ATOM 0 HG SER A 114 12.836 -8.794 -4.888 1.00 0.99 H new ATOM 1779 N VAL A 115 12.540 -13.334 -5.518 1.00 0.28 N ATOM 1780 CA VAL A 115 12.428 -14.767 -5.315 1.00 0.33 C ATOM 1781 C VAL A 115 12.702 -15.508 -6.616 1.00 0.37 C ATOM 1782 O VAL A 115 13.406 -16.519 -6.630 1.00 0.42 O ATOM 1783 CB VAL A 115 11.034 -15.139 -4.789 1.00 0.40 C ATOM 1784 CG1 VAL A 115 10.904 -16.645 -4.627 1.00 0.45 C ATOM 1785 CG2 VAL A 115 10.766 -14.431 -3.473 1.00 0.41 C ATOM 0 H VAL A 115 11.662 -12.824 -5.418 1.00 0.28 H new ATOM 0 HA VAL A 115 13.169 -15.061 -4.572 1.00 0.33 H new ATOM 0 HB VAL A 115 10.290 -14.814 -5.516 1.00 0.40 H new ATOM 0 HG11 VAL A 115 9.909 -16.886 -4.253 1.00 0.45 H new ATOM 0 HG12 VAL A 115 11.057 -17.129 -5.592 1.00 0.45 H new ATOM 0 HG13 VAL A 115 11.653 -17.001 -3.920 1.00 0.45 H new ATOM 0 HG21 VAL A 115 9.775 -14.702 -3.109 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.516 -14.729 -2.740 1.00 0.41 H new ATOM 0 HG23 VAL A 115 10.815 -13.353 -3.624 1.00 0.41 H new ATOM 1795 N ASP A 116 12.154 -14.990 -7.707 1.00 0.38 N ATOM 1796 CA ASP A 116 12.357 -15.588 -9.025 1.00 0.46 C ATOM 1797 C ASP A 116 13.836 -15.591 -9.413 1.00 0.47 C ATOM 1798 O ASP A 116 14.310 -16.514 -10.070 1.00 0.56 O ATOM 1799 CB ASP A 116 11.538 -14.848 -10.087 1.00 0.49 C ATOM 1800 CG ASP A 116 11.771 -15.398 -11.480 1.00 1.08 C ATOM 1801 OD1 ASP A 116 11.393 -16.560 -11.739 1.00 1.23 O ATOM 1802 OD2 ASP A 116 12.321 -14.663 -12.328 1.00 1.89 O ATOM 0 H ASP A 116 11.565 -14.157 -7.708 1.00 0.38 H new ATOM 0 HA ASP A 116 12.016 -16.622 -8.972 1.00 0.46 H new ATOM 0 HB2 ASP A 116 10.478 -14.922 -9.842 1.00 0.49 H new ATOM 0 HB3 ASP A 116 11.796 -13.789 -10.069 1.00 0.49 H new ATOM 1807 N LYS A 117 14.571 -14.573 -8.981 1.00 0.43 N ATOM 1808 CA LYS A 117 16.002 -14.491 -9.278 1.00 0.49 C ATOM 1809 C LYS A 117 16.819 -15.243 -8.225 1.00 0.47 C ATOM 1810 O LYS A 117 18.043 -15.116 -8.171 1.00 0.52 O ATOM 1811 CB LYS A 117 16.468 -13.031 -9.347 1.00 0.53 C ATOM 1812 CG LYS A 117 15.715 -12.181 -10.362 1.00 0.61 C ATOM 1813 CD LYS A 117 16.248 -10.756 -10.381 1.00 1.20 C ATOM 1814 CE LYS A 117 15.267 -9.790 -11.031 1.00 1.32 C ATOM 1815 NZ LYS A 117 14.881 -10.208 -12.402 1.00 1.90 N ATOM 0 H LYS A 117 14.207 -13.797 -8.428 1.00 0.43 H new ATOM 0 HA LYS A 117 16.163 -14.956 -10.251 1.00 0.49 H new ATOM 0 HB2 LYS A 117 16.359 -12.580 -8.361 1.00 0.53 H new ATOM 0 HB3 LYS A 117 17.530 -13.012 -9.591 1.00 0.53 H new ATOM 0 HG2 LYS A 117 15.811 -12.622 -11.354 1.00 0.61 H new ATOM 0 HG3 LYS A 117 14.653 -12.173 -10.118 1.00 0.61 H new ATOM 0 HD2 LYS A 117 16.454 -10.432 -9.361 1.00 1.20 H new ATOM 0 HD3 LYS A 117 17.195 -10.730 -10.921 1.00 1.20 H new ATOM 0 HE2 LYS A 117 14.373 -9.715 -10.412 1.00 1.32 H new ATOM 0 HE3 LYS A 117 15.713 -8.796 -11.070 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 14.352 -9.441 -12.863 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 15.737 -10.419 -12.954 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 14.284 -11.058 -12.351 1.00 1.90 H new ATOM 1829 N GLU A 118 16.123 -16.016 -7.389 1.00 0.45 N ATOM 1830 CA GLU A 118 16.745 -16.839 -6.346 1.00 0.49 C ATOM 1831 C GLU A 118 17.388 -15.967 -5.265 1.00 0.45 C ATOM 1832 O GLU A 118 18.230 -16.418 -4.491 1.00 0.55 O ATOM 1833 CB GLU A 118 17.774 -17.807 -6.954 1.00 0.59 C ATOM 1834 CG GLU A 118 18.216 -18.902 -5.997 1.00 1.07 C ATOM 1835 CD GLU A 118 19.271 -19.813 -6.584 1.00 1.72 C ATOM 1836 OE1 GLU A 118 20.465 -19.446 -6.555 1.00 1.89 O ATOM 1837 OE2 GLU A 118 18.920 -20.915 -7.049 1.00 2.54 O ATOM 0 H GLU A 118 15.106 -16.090 -7.416 1.00 0.45 H new ATOM 0 HA GLU A 118 15.960 -17.430 -5.874 1.00 0.49 H new ATOM 0 HB2 GLU A 118 17.347 -18.266 -7.846 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.649 -17.241 -7.274 1.00 0.59 H new ATOM 0 HG2 GLU A 118 18.604 -18.446 -5.087 1.00 1.07 H new ATOM 0 HG3 GLU A 118 17.349 -19.497 -5.710 1.00 1.07 H new ATOM 1844 N MET A 119 16.954 -14.723 -5.188 1.00 0.35 N ATOM 1845 CA MET A 119 17.471 -13.795 -4.197 1.00 0.33 C ATOM 1846 C MET A 119 16.514 -13.743 -3.012 1.00 0.31 C ATOM 1847 O MET A 119 15.884 -12.719 -2.739 1.00 0.27 O ATOM 1848 CB MET A 119 17.654 -12.402 -4.806 1.00 0.34 C ATOM 1849 CG MET A 119 18.512 -12.397 -6.061 1.00 0.41 C ATOM 1850 SD MET A 119 18.699 -10.753 -6.778 1.00 0.47 S ATOM 1851 CE MET A 119 16.992 -10.216 -6.835 1.00 0.44 C ATOM 0 H MET A 119 16.241 -14.329 -5.803 1.00 0.35 H new ATOM 0 HA MET A 119 18.447 -14.140 -3.856 1.00 0.33 H new ATOM 0 HB2 MET A 119 16.675 -11.986 -5.043 1.00 0.34 H new ATOM 0 HB3 MET A 119 18.107 -11.746 -4.063 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.497 -12.798 -5.823 1.00 0.41 H new ATOM 0 HG3 MET A 119 18.068 -13.062 -6.801 1.00 0.41 H new ATOM 0 HE1 MET A 119 16.865 -9.491 -7.639 1.00 0.44 H new ATOM 0 HE2 MET A 119 16.346 -11.075 -7.016 1.00 0.44 H new ATOM 0 HE3 MET A 119 16.724 -9.754 -5.885 1.00 0.44 H new ATOM 1861 N GLN A 120 16.412 -14.867 -2.318 1.00 0.36 N ATOM 1862 CA GLN A 120 15.452 -15.030 -1.230 1.00 0.39 C ATOM 1863 C GLN A 120 15.885 -14.268 0.019 1.00 0.41 C ATOM 1864 O GLN A 120 15.127 -14.150 0.978 1.00 0.47 O ATOM 1865 CB GLN A 120 15.269 -16.516 -0.907 1.00 0.49 C ATOM 1866 CG GLN A 120 14.662 -17.328 -2.050 1.00 0.53 C ATOM 1867 CD GLN A 120 14.597 -18.816 -1.746 1.00 0.65 C ATOM 1868 OE1 GLN A 120 14.494 -19.218 -0.589 1.00 0.71 O ATOM 1869 NE2 GLN A 120 14.631 -19.643 -2.783 1.00 0.70 N ATOM 0 H GLN A 120 16.989 -15.690 -2.490 1.00 0.36 H new ATOM 0 HA GLN A 120 14.500 -14.614 -1.559 1.00 0.39 H new ATOM 0 HB2 GLN A 120 16.237 -16.943 -0.646 1.00 0.49 H new ATOM 0 HB3 GLN A 120 14.631 -16.611 -0.028 1.00 0.49 H new ATOM 0 HG2 GLN A 120 13.657 -16.960 -2.257 1.00 0.53 H new ATOM 0 HG3 GLN A 120 15.251 -17.172 -2.954 1.00 0.53 H new ATOM 0 HE21 GLN A 120 14.717 -19.271 -3.729 1.00 0.70 H new ATOM 0 HE22 GLN A 120 14.571 -20.650 -2.634 1.00 0.70 H new ATOM 1878 N VAL A 121 17.106 -13.757 0.009 1.00 0.39 N ATOM 1879 CA VAL A 121 17.570 -12.904 1.091 1.00 0.44 C ATOM 1880 C VAL A 121 17.239 -11.440 0.805 1.00 0.38 C ATOM 1881 O VAL A 121 16.968 -10.663 1.720 1.00 0.47 O ATOM 1882 CB VAL A 121 19.083 -13.056 1.339 1.00 0.52 C ATOM 1883 CG1 VAL A 121 19.395 -14.443 1.883 1.00 0.98 C ATOM 1884 CG2 VAL A 121 19.873 -12.792 0.066 1.00 0.92 C ATOM 0 H VAL A 121 17.789 -13.917 -0.731 1.00 0.39 H new ATOM 0 HA VAL A 121 17.048 -13.223 1.993 1.00 0.44 H new ATOM 0 HB VAL A 121 19.382 -12.316 2.081 1.00 0.52 H new ATOM 0 HG11 VAL A 121 20.468 -14.534 2.053 1.00 0.98 H new ATOM 0 HG12 VAL A 121 18.865 -14.593 2.823 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.076 -15.196 1.163 1.00 0.98 H new ATOM 0 HG21 VAL A 121 20.938 -12.906 0.268 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.572 -13.503 -0.703 1.00 0.92 H new ATOM 0 HG23 VAL A 121 19.676 -11.778 -0.281 1.00 0.92 H new ATOM 1894 N LEU A 122 17.223 -11.078 -0.474 1.00 0.30 N ATOM 1895 CA LEU A 122 16.957 -9.702 -0.875 1.00 0.27 C ATOM 1896 C LEU A 122 15.501 -9.329 -0.648 1.00 0.23 C ATOM 1897 O LEU A 122 15.196 -8.183 -0.335 1.00 0.23 O ATOM 1898 CB LEU A 122 17.333 -9.465 -2.338 1.00 0.28 C ATOM 1899 CG LEU A 122 18.780 -9.037 -2.575 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.744 -10.125 -2.144 1.00 0.39 C ATOM 1901 CD2 LEU A 122 18.988 -8.682 -4.033 1.00 0.41 C ATOM 0 H LEU A 122 17.391 -11.719 -1.250 1.00 0.30 H new ATOM 0 HA LEU A 122 17.580 -9.063 -0.249 1.00 0.27 H new ATOM 0 HB2 LEU A 122 17.145 -10.381 -2.898 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.673 -8.700 -2.747 1.00 0.28 H new ATOM 0 HG LEU A 122 18.982 -8.153 -1.970 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.768 -9.796 -2.323 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.609 -10.331 -1.082 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.549 -11.032 -2.717 1.00 0.39 H new ATOM 0 HD21 LEU A 122 20.023 -8.378 -4.189 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.767 -9.550 -4.654 1.00 0.41 H new ATOM 0 HD23 LEU A 122 18.324 -7.862 -4.306 1.00 0.41 H new ATOM 1913 N VAL A 123 14.610 -10.302 -0.791 1.00 0.23 N ATOM 1914 CA VAL A 123 13.185 -10.063 -0.599 1.00 0.25 C ATOM 1915 C VAL A 123 12.900 -9.543 0.812 1.00 0.27 C ATOM 1916 O VAL A 123 12.036 -8.687 1.010 1.00 0.31 O ATOM 1917 CB VAL A 123 12.354 -11.335 -0.882 1.00 0.28 C ATOM 1918 CG1 VAL A 123 12.803 -12.494 -0.014 1.00 0.31 C ATOM 1919 CG2 VAL A 123 10.876 -11.063 -0.681 1.00 0.31 C ATOM 0 H VAL A 123 14.848 -11.262 -1.039 1.00 0.23 H new ATOM 0 HA VAL A 123 12.885 -9.299 -1.316 1.00 0.25 H new ATOM 0 HB VAL A 123 12.519 -11.614 -1.923 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.198 -13.372 -0.238 1.00 0.31 H new ATOM 0 HG12 VAL A 123 13.851 -12.714 -0.215 1.00 0.31 H new ATOM 0 HG13 VAL A 123 12.683 -12.230 1.037 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.308 -11.971 -0.885 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.701 -10.749 0.348 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.555 -10.274 -1.361 1.00 0.31 H new ATOM 1929 N SER A 124 13.659 -10.033 1.780 1.00 0.29 N ATOM 1930 CA SER A 124 13.502 -9.602 3.162 1.00 0.35 C ATOM 1931 C SER A 124 14.088 -8.204 3.345 1.00 0.34 C ATOM 1932 O SER A 124 13.586 -7.396 4.131 1.00 0.44 O ATOM 1933 CB SER A 124 14.187 -10.594 4.108 1.00 0.43 C ATOM 1934 OG SER A 124 13.857 -10.328 5.462 1.00 1.32 O ATOM 0 H SER A 124 14.390 -10.729 1.635 1.00 0.29 H new ATOM 0 HA SER A 124 12.439 -9.571 3.402 1.00 0.35 H new ATOM 0 HB2 SER A 124 13.888 -11.610 3.852 1.00 0.43 H new ATOM 0 HB3 SER A 124 15.268 -10.537 3.977 1.00 0.43 H new ATOM 0 HG SER A 124 14.307 -10.977 6.042 1.00 1.32 H new ATOM 1940 N ARG A 125 15.139 -7.915 2.592 1.00 0.28 N ATOM 1941 CA ARG A 125 15.822 -6.632 2.687 1.00 0.31 C ATOM 1942 C ARG A 125 15.007 -5.546 2.000 1.00 0.24 C ATOM 1943 O ARG A 125 15.099 -4.375 2.356 1.00 0.24 O ATOM 1944 CB ARG A 125 17.226 -6.737 2.082 1.00 0.41 C ATOM 1945 CG ARG A 125 18.107 -7.747 2.814 1.00 0.91 C ATOM 1946 CD ARG A 125 19.424 -8.022 2.098 1.00 0.74 C ATOM 1947 NE ARG A 125 20.171 -9.090 2.759 1.00 1.01 N ATOM 1948 CZ ARG A 125 21.269 -9.661 2.263 1.00 1.24 C ATOM 1949 NH1 ARG A 125 21.765 -9.272 1.096 1.00 1.28 N ATOM 1950 NH2 ARG A 125 21.873 -10.633 2.931 1.00 1.84 N ATOM 0 H ARG A 125 15.539 -8.554 1.905 1.00 0.28 H new ATOM 0 HA ARG A 125 15.924 -6.360 3.738 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.145 -7.024 1.033 1.00 0.41 H new ATOM 0 HB3 ARG A 125 17.703 -5.757 2.109 1.00 0.41 H new ATOM 0 HG2 ARG A 125 18.316 -7.377 3.818 1.00 0.91 H new ATOM 0 HG3 ARG A 125 17.560 -8.683 2.927 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.227 -8.299 1.062 1.00 0.74 H new ATOM 0 HD3 ARG A 125 20.026 -7.113 2.076 1.00 0.74 H new ATOM 0 HE ARG A 125 19.829 -9.421 3.661 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.306 -8.529 0.569 1.00 1.28 H new ATOM 0 HH12 ARG A 125 22.606 -9.716 0.726 1.00 1.28 H new ATOM 0 HH21 ARG A 125 21.498 -10.946 3.827 1.00 1.84 H new ATOM 0 HH22 ARG A 125 22.713 -11.068 2.550 1.00 1.84 H new ATOM 1964 N ILE A 126 14.198 -5.950 1.029 1.00 0.21 N ATOM 1965 CA ILE A 126 13.266 -5.046 0.369 1.00 0.19 C ATOM 1966 C ILE A 126 12.355 -4.381 1.391 1.00 0.19 C ATOM 1967 O ILE A 126 12.252 -3.154 1.442 1.00 0.19 O ATOM 1968 CB ILE A 126 12.421 -5.808 -0.665 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.292 -6.183 -1.854 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.218 -4.990 -1.112 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.589 -7.045 -2.863 1.00 0.23 C ATOM 0 H ILE A 126 14.169 -6.908 0.679 1.00 0.21 H new ATOM 0 HA ILE A 126 13.842 -4.276 -0.144 1.00 0.19 H new ATOM 0 HB ILE A 126 12.038 -6.716 -0.200 1.00 0.19 H new ATOM 0 HG12 ILE A 126 13.637 -5.272 -2.343 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.178 -6.707 -1.495 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.643 -5.558 -1.843 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.590 -4.766 -0.250 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.559 -4.059 -1.564 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.269 -7.274 -3.683 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.268 -7.972 -2.389 1.00 0.23 H new ATOM 0 HD13 ILE A 126 11.719 -6.515 -3.251 1.00 0.23 H new ATOM 1983 N ALA A 127 11.705 -5.204 2.208 1.00 0.22 N ATOM 1984 CA ALA A 127 10.844 -4.711 3.271 1.00 0.25 C ATOM 1985 C ALA A 127 11.605 -3.769 4.191 1.00 0.24 C ATOM 1986 O ALA A 127 11.061 -2.773 4.664 1.00 0.26 O ATOM 1987 CB ALA A 127 10.271 -5.873 4.065 1.00 0.30 C ATOM 0 H ALA A 127 11.761 -6.221 2.151 1.00 0.22 H new ATOM 0 HA ALA A 127 10.024 -4.156 2.816 1.00 0.25 H new ATOM 0 HB1 ALA A 127 9.628 -5.490 4.858 1.00 0.30 H new ATOM 0 HB2 ALA A 127 9.688 -6.514 3.403 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.085 -6.450 4.505 1.00 0.30 H new ATOM 1993 N ALA A 128 12.871 -4.084 4.421 1.00 0.22 N ATOM 1994 CA ALA A 128 13.722 -3.271 5.275 1.00 0.23 C ATOM 1995 C ALA A 128 13.990 -1.906 4.647 1.00 0.19 C ATOM 1996 O ALA A 128 13.873 -0.878 5.313 1.00 0.19 O ATOM 1997 CB ALA A 128 15.026 -3.994 5.556 1.00 0.27 C ATOM 0 H ALA A 128 13.333 -4.902 4.025 1.00 0.22 H new ATOM 0 HA ALA A 128 13.201 -3.107 6.218 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.655 -3.375 6.196 1.00 0.27 H new ATOM 0 HB2 ALA A 128 14.817 -4.939 6.057 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.544 -4.188 4.617 1.00 0.27 H new ATOM 2003 N TRP A 129 14.341 -1.896 3.364 1.00 0.17 N ATOM 2004 CA TRP A 129 14.616 -0.643 2.662 1.00 0.17 C ATOM 2005 C TRP A 129 13.363 0.216 2.590 1.00 0.15 C ATOM 2006 O TRP A 129 13.419 1.432 2.786 1.00 0.18 O ATOM 2007 CB TRP A 129 15.152 -0.897 1.248 1.00 0.20 C ATOM 2008 CG TRP A 129 16.400 -1.722 1.219 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.419 -1.699 2.125 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.767 -2.685 0.225 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.391 -2.599 1.764 1.00 0.33 N ATOM 2012 CE2 TRP A 129 18.016 -3.215 0.599 1.00 0.36 C ATOM 2013 CE3 TRP A 129 16.159 -3.155 -0.943 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.667 -4.189 -0.152 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.806 -4.122 -1.689 1.00 0.47 C ATOM 2016 CH2 TRP A 129 18.049 -4.631 -1.291 1.00 0.50 C ATOM 0 H TRP A 129 14.442 -2.734 2.791 1.00 0.17 H new ATOM 0 HA TRP A 129 15.382 -0.114 3.228 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.382 -1.398 0.661 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.348 0.061 0.766 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.456 -1.065 2.999 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.252 -2.780 2.279 1.00 0.33 H new ATOM 0 HE3 TRP A 129 15.200 -2.769 -1.257 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.626 -4.582 0.153 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 16.346 -4.491 -2.594 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.529 -5.387 -1.895 1.00 0.50 H new ATOM 2027 N MET A 130 12.229 -0.422 2.327 1.00 0.16 N ATOM 2028 CA MET A 130 10.962 0.290 2.245 1.00 0.21 C ATOM 2029 C MET A 130 10.590 0.868 3.600 1.00 0.19 C ATOM 2030 O MET A 130 10.230 2.039 3.706 1.00 0.21 O ATOM 2031 CB MET A 130 9.843 -0.628 1.752 1.00 0.29 C ATOM 2032 CG MET A 130 9.965 -1.038 0.293 1.00 0.33 C ATOM 2033 SD MET A 130 8.602 -2.089 -0.236 1.00 0.71 S ATOM 2034 CE MET A 130 7.209 -1.032 0.149 1.00 0.29 C ATOM 0 H MET A 130 12.162 -1.427 2.168 1.00 0.16 H new ATOM 0 HA MET A 130 11.084 1.102 1.528 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.828 -1.526 2.369 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.887 -0.125 1.897 1.00 0.29 H new ATOM 0 HG2 MET A 130 9.997 -0.145 -0.332 1.00 0.33 H new ATOM 0 HG3 MET A 130 10.907 -1.565 0.143 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.284 -1.524 -0.153 1.00 0.29 H new ATOM 0 HE2 MET A 130 7.184 -0.839 1.222 1.00 0.29 H new ATOM 0 HE3 MET A 130 7.309 -0.088 -0.387 1.00 0.29 H new ATOM 2044 N ALA A 131 10.703 0.046 4.636 1.00 0.18 N ATOM 2045 CA ALA A 131 10.372 0.465 5.989 1.00 0.20 C ATOM 2046 C ALA A 131 11.259 1.619 6.433 1.00 0.21 C ATOM 2047 O ALA A 131 10.795 2.556 7.075 1.00 0.23 O ATOM 2048 CB ALA A 131 10.506 -0.701 6.949 1.00 0.23 C ATOM 0 H ALA A 131 11.023 -0.920 4.562 1.00 0.18 H new ATOM 0 HA ALA A 131 9.338 0.809 5.995 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.255 -0.373 7.958 1.00 0.23 H new ATOM 0 HB2 ALA A 131 9.828 -1.500 6.648 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.531 -1.070 6.932 1.00 0.23 H new ATOM 2054 N THR A 132 12.532 1.544 6.080 1.00 0.22 N ATOM 2055 CA THR A 132 13.482 2.592 6.418 1.00 0.25 C ATOM 2056 C THR A 132 13.093 3.913 5.756 1.00 0.24 C ATOM 2057 O THR A 132 12.956 4.935 6.431 1.00 0.25 O ATOM 2058 CB THR A 132 14.911 2.192 6.003 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.268 0.962 6.647 1.00 0.33 O ATOM 2060 CG2 THR A 132 15.913 3.274 6.379 1.00 0.37 C ATOM 0 H THR A 132 12.933 0.765 5.557 1.00 0.22 H new ATOM 0 HA THR A 132 13.459 2.726 7.500 1.00 0.25 H new ATOM 0 HB THR A 132 14.933 2.066 4.921 1.00 0.31 H new ATOM 0 HG1 THR A 132 14.884 0.209 6.150 1.00 0.33 H new ATOM 0 HG21 THR A 132 16.913 2.965 6.075 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.651 4.204 5.874 1.00 0.37 H new ATOM 0 HG23 THR A 132 15.894 3.429 7.458 1.00 0.37 H new ATOM 2068 N TYR A 133 12.901 3.890 4.439 1.00 0.23 N ATOM 2069 CA TYR A 133 12.510 5.092 3.711 1.00 0.24 C ATOM 2070 C TYR A 133 11.185 5.625 4.250 1.00 0.21 C ATOM 2071 O TYR A 133 11.025 6.829 4.455 1.00 0.23 O ATOM 2072 CB TYR A 133 12.392 4.806 2.209 1.00 0.27 C ATOM 2073 CG TYR A 133 12.079 6.034 1.381 1.00 0.33 C ATOM 2074 CD1 TYR A 133 13.096 6.855 0.917 1.00 0.42 C ATOM 2075 CD2 TYR A 133 10.767 6.375 1.067 1.00 0.36 C ATOM 2076 CE1 TYR A 133 12.820 7.979 0.165 1.00 0.50 C ATOM 2077 CE2 TYR A 133 10.484 7.500 0.316 1.00 0.45 C ATOM 2078 CZ TYR A 133 11.514 8.298 -0.133 1.00 0.51 C ATOM 2079 OH TYR A 133 11.241 9.421 -0.877 1.00 0.61 O ATOM 0 H TYR A 133 13.009 3.058 3.859 1.00 0.23 H new ATOM 0 HA TYR A 133 13.283 5.847 3.856 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.326 4.369 1.856 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.612 4.062 2.050 1.00 0.27 H new ATOM 0 HD1 TYR A 133 14.122 6.610 1.148 1.00 0.42 H new ATOM 0 HD2 TYR A 133 9.957 5.751 1.416 1.00 0.36 H new ATOM 0 HE1 TYR A 133 13.625 8.606 -0.188 1.00 0.50 H new ATOM 0 HE2 TYR A 133 9.460 7.753 0.082 1.00 0.45 H new ATOM 0 HH TYR A 133 10.891 10.124 -0.291 1.00 0.61 H new ATOM 2089 N LEU A 134 10.252 4.714 4.500 1.00 0.20 N ATOM 2090 CA LEU A 134 8.939 5.067 5.020 1.00 0.20 C ATOM 2091 C LEU A 134 9.043 5.707 6.404 1.00 0.21 C ATOM 2092 O LEU A 134 8.564 6.814 6.612 1.00 0.24 O ATOM 2093 CB LEU A 134 8.049 3.819 5.058 1.00 0.20 C ATOM 2094 CG LEU A 134 6.736 3.945 5.834 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.878 5.058 5.265 1.00 0.26 C ATOM 2096 CD2 LEU A 134 5.982 2.626 5.801 1.00 0.26 C ATOM 0 H LEU A 134 10.385 3.714 4.348 1.00 0.20 H new ATOM 0 HA LEU A 134 8.488 5.805 4.357 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.814 3.535 4.032 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.625 3.001 5.491 1.00 0.20 H new ATOM 0 HG LEU A 134 6.970 4.193 6.869 1.00 0.22 H new ATOM 0 HD11 LEU A 134 4.950 5.129 5.833 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.417 6.003 5.332 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.649 4.844 4.221 1.00 0.26 H new ATOM 0 HD21 LEU A 134 5.049 2.726 6.356 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.762 2.358 4.767 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.593 1.846 6.256 1.00 0.26 H new ATOM 2108 N ASN A 135 9.702 5.030 7.331 1.00 0.24 N ATOM 2109 CA ASN A 135 9.757 5.484 8.718 1.00 0.29 C ATOM 2110 C ASN A 135 10.616 6.733 8.887 1.00 0.30 C ATOM 2111 O ASN A 135 10.318 7.592 9.716 1.00 0.33 O ATOM 2112 CB ASN A 135 10.291 4.377 9.629 1.00 0.37 C ATOM 2113 CG ASN A 135 9.262 3.300 9.915 1.00 0.92 C ATOM 2114 OD1 ASN A 135 8.063 3.567 9.959 1.00 1.17 O ATOM 2115 ND2 ASN A 135 9.724 2.073 10.124 1.00 1.46 N ATOM 0 H ASN A 135 10.208 4.163 7.151 1.00 0.24 H new ATOM 0 HA ASN A 135 8.735 5.736 9.002 1.00 0.29 H new ATOM 0 HB2 ASN A 135 11.166 3.922 9.165 1.00 0.37 H new ATOM 0 HB3 ASN A 135 10.621 4.816 10.570 1.00 0.37 H new ATOM 0 HD21 ASN A 135 9.076 1.312 10.330 1.00 1.46 H new ATOM 0 HD22 ASN A 135 10.727 1.891 10.079 1.00 1.46 H new ATOM 2122 N ASP A 136 11.697 6.832 8.133 1.00 0.32 N ATOM 2123 CA ASP A 136 12.618 7.952 8.306 1.00 0.37 C ATOM 2124 C ASP A 136 12.273 9.131 7.400 1.00 0.34 C ATOM 2125 O ASP A 136 12.122 10.256 7.870 1.00 0.36 O ATOM 2126 CB ASP A 136 14.068 7.521 8.066 1.00 0.46 C ATOM 2127 CG ASP A 136 15.042 8.657 8.312 1.00 1.19 C ATOM 2128 OD1 ASP A 136 15.143 9.121 9.463 1.00 1.27 O ATOM 2129 OD2 ASP A 136 15.720 9.082 7.353 1.00 2.07 O ATOM 0 H ASP A 136 11.960 6.166 7.407 1.00 0.32 H new ATOM 0 HA ASP A 136 12.511 8.280 9.340 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.312 6.685 8.722 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.176 7.165 7.042 1.00 0.46 H new ATOM 2134 N HIS A 137 12.154 8.878 6.105 1.00 0.33 N ATOM 2135 CA HIS A 137 12.017 9.963 5.130 1.00 0.35 C ATOM 2136 C HIS A 137 10.559 10.307 4.839 1.00 0.29 C ATOM 2137 O HIS A 137 10.207 11.475 4.685 1.00 0.32 O ATOM 2138 CB HIS A 137 12.738 9.614 3.820 1.00 0.45 C ATOM 2139 CG HIS A 137 14.207 9.375 3.994 1.00 0.63 C ATOM 2140 ND1 HIS A 137 15.123 10.394 4.118 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.916 8.223 4.073 1.00 1.53 C ATOM 2142 CE1 HIS A 137 16.331 9.881 4.267 1.00 0.95 C ATOM 2143 NE2 HIS A 137 16.231 8.567 4.242 1.00 1.34 N ATOM 0 H HIS A 137 12.149 7.941 5.702 1.00 0.33 H new ATOM 0 HA HIS A 137 12.481 10.842 5.578 1.00 0.35 H new ATOM 0 HB2 HIS A 137 12.281 8.723 3.389 1.00 0.45 H new ATOM 0 HB3 HIS A 137 12.591 10.425 3.106 1.00 0.45 H new ATOM 0 HD2 HIS A 137 14.518 7.221 4.014 1.00 1.53 H new ATOM 0 HE1 HIS A 137 17.245 10.443 4.389 1.00 0.95 H new ATOM 0 HE2 HIS A 137 17.008 7.912 4.334 1.00 1.34 H new ATOM 2152 N LEU A 138 9.717 9.291 4.763 1.00 0.26 N ATOM 2153 CA LEU A 138 8.335 9.471 4.332 1.00 0.25 C ATOM 2154 C LEU A 138 7.435 9.882 5.499 1.00 0.24 C ATOM 2155 O LEU A 138 6.522 10.693 5.335 1.00 0.25 O ATOM 2156 CB LEU A 138 7.845 8.169 3.700 1.00 0.23 C ATOM 2157 CG LEU A 138 6.514 8.246 2.958 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.582 9.281 1.847 1.00 0.26 C ATOM 2159 CD2 LEU A 138 6.155 6.878 2.398 1.00 0.22 C ATOM 0 H LEU A 138 9.964 8.329 4.994 1.00 0.26 H new ATOM 0 HA LEU A 138 8.291 10.276 3.598 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.607 7.817 3.004 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.758 7.417 4.485 1.00 0.23 H new ATOM 0 HG LEU A 138 5.736 8.553 3.658 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.624 9.322 1.329 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.806 10.259 2.274 1.00 0.26 H new ATOM 0 HD13 LEU A 138 7.365 9.006 1.141 1.00 0.26 H new ATOM 0 HD21 LEU A 138 5.204 6.939 1.869 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.933 6.552 1.708 1.00 0.22 H new ATOM 0 HD23 LEU A 138 6.071 6.161 3.215 1.00 0.22 H new ATOM 2171 N GLU A 139 7.712 9.315 6.669 1.00 0.26 N ATOM 2172 CA GLU A 139 6.958 9.592 7.896 1.00 0.29 C ATOM 2173 C GLU A 139 6.764 11.097 8.158 1.00 0.30 C ATOM 2174 O GLU A 139 5.637 11.521 8.400 1.00 0.30 O ATOM 2175 CB GLU A 139 7.651 8.930 9.092 1.00 0.36 C ATOM 2176 CG GLU A 139 6.978 9.183 10.433 1.00 0.52 C ATOM 2177 CD GLU A 139 5.659 8.456 10.588 1.00 1.00 C ATOM 2178 OE1 GLU A 139 5.681 7.240 10.870 1.00 1.46 O ATOM 2179 OE2 GLU A 139 4.596 9.101 10.468 1.00 1.74 O ATOM 0 H GLU A 139 8.470 8.645 6.798 1.00 0.26 H new ATOM 0 HA GLU A 139 5.962 9.170 7.761 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.696 7.855 8.920 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.679 9.288 9.143 1.00 0.36 H new ATOM 0 HG2 GLU A 139 7.651 8.875 11.233 1.00 0.52 H new ATOM 0 HG3 GLU A 139 6.811 10.254 10.552 1.00 0.52 H new ATOM 2186 N PRO A 140 7.835 11.933 8.125 1.00 0.33 N ATOM 2187 CA PRO A 140 7.700 13.379 8.367 1.00 0.36 C ATOM 2188 C PRO A 140 6.638 14.026 7.480 1.00 0.31 C ATOM 2189 O PRO A 140 5.903 14.908 7.926 1.00 0.36 O ATOM 2190 CB PRO A 140 9.086 13.937 8.036 1.00 0.42 C ATOM 2191 CG PRO A 140 10.011 12.794 8.261 1.00 0.42 C ATOM 2192 CD PRO A 140 9.244 11.558 7.879 1.00 0.35 C ATOM 0 HA PRO A 140 7.379 13.585 9.388 1.00 0.36 H new ATOM 0 HB2 PRO A 140 9.136 14.291 7.006 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.337 14.783 8.676 1.00 0.42 H new ATOM 0 HG2 PRO A 140 10.912 12.896 7.656 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.330 12.749 9.302 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.411 11.289 6.836 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.541 10.700 8.481 1.00 0.35 H new ATOM 2200 N TRP A 141 6.546 13.572 6.236 1.00 0.28 N ATOM 2201 CA TRP A 141 5.551 14.093 5.310 1.00 0.25 C ATOM 2202 C TRP A 141 4.171 13.569 5.691 1.00 0.22 C ATOM 2203 O TRP A 141 3.203 14.328 5.785 1.00 0.22 O ATOM 2204 CB TRP A 141 5.890 13.686 3.868 1.00 0.29 C ATOM 2205 CG TRP A 141 5.014 14.349 2.850 1.00 0.29 C ATOM 2206 CD1 TRP A 141 5.271 15.512 2.188 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.737 13.896 2.386 1.00 0.30 C ATOM 2208 NE1 TRP A 141 4.232 15.813 1.346 1.00 0.35 N ATOM 2209 CE2 TRP A 141 3.278 14.837 1.449 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.937 12.786 2.674 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 2.053 14.704 0.799 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.724 12.655 2.028 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.291 13.609 1.101 1.00 0.36 C ATOM 0 H TRP A 141 7.147 12.846 5.847 1.00 0.28 H new ATOM 0 HA TRP A 141 5.552 15.181 5.369 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.931 13.936 3.661 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.796 12.604 3.770 1.00 0.29 H new ATOM 0 HD1 TRP A 141 6.163 16.109 2.309 1.00 0.32 H new ATOM 0 HE1 TRP A 141 4.178 16.632 0.740 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.262 12.045 3.389 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.717 15.439 0.082 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 1.098 11.801 2.242 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.336 13.478 0.614 1.00 0.36 H new ATOM 2224 N ILE A 142 4.106 12.264 5.924 1.00 0.20 N ATOM 2225 CA ILE A 142 2.866 11.596 6.293 1.00 0.19 C ATOM 2226 C ILE A 142 2.274 12.221 7.550 1.00 0.20 C ATOM 2227 O ILE A 142 1.143 12.710 7.540 1.00 0.20 O ATOM 2228 CB ILE A 142 3.121 10.089 6.533 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.520 9.402 5.229 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.897 9.412 7.130 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.908 7.957 5.413 1.00 0.23 C ATOM 0 H ILE A 142 4.911 11.640 5.862 1.00 0.20 H new ATOM 0 HA ILE A 142 2.158 11.714 5.473 1.00 0.19 H new ATOM 0 HB ILE A 142 3.940 9.998 7.246 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.689 9.462 4.526 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.355 9.942 4.782 1.00 0.21 H new ATOM 0 HG21 ILE A 142 2.107 8.354 7.287 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.652 9.879 8.084 1.00 0.25 H new ATOM 0 HG23 ILE A 142 1.054 9.517 6.447 1.00 0.25 H new ATOM 0 HD11 ILE A 142 4.180 7.528 4.449 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.758 7.892 6.092 1.00 0.23 H new ATOM 0 HD13 ILE A 142 3.066 7.405 5.831 1.00 0.23 H new ATOM 2243 N GLN A 143 3.063 12.219 8.615 1.00 0.25 N ATOM 2244 CA GLN A 143 2.625 12.691 9.918 1.00 0.30 C ATOM 2245 C GLN A 143 2.181 14.152 9.870 1.00 0.29 C ATOM 2246 O GLN A 143 1.184 14.520 10.490 1.00 0.31 O ATOM 2247 CB GLN A 143 3.752 12.511 10.938 1.00 0.40 C ATOM 2248 CG GLN A 143 3.355 12.844 12.370 1.00 0.51 C ATOM 2249 CD GLN A 143 2.257 11.939 12.916 1.00 0.95 C ATOM 2250 OE1 GLN A 143 1.401 11.450 12.177 1.00 1.51 O ATOM 2251 NE2 GLN A 143 2.273 11.708 14.218 1.00 1.60 N ATOM 0 H GLN A 143 4.028 11.889 8.598 1.00 0.25 H new ATOM 0 HA GLN A 143 1.762 12.097 10.220 1.00 0.30 H new ATOM 0 HB2 GLN A 143 4.100 11.479 10.900 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.593 13.142 10.649 1.00 0.40 H new ATOM 0 HG2 GLN A 143 4.233 12.766 13.011 1.00 0.51 H new ATOM 0 HG3 GLN A 143 3.019 13.880 12.415 1.00 0.51 H new ATOM 0 HE21 GLN A 143 2.996 12.129 14.802 1.00 1.60 H new ATOM 0 HE22 GLN A 143 1.562 11.109 14.638 1.00 1.60 H new ATOM 2260 N GLU A 144 2.911 14.979 9.127 1.00 0.29 N ATOM 2261 CA GLU A 144 2.574 16.395 9.023 1.00 0.33 C ATOM 2262 C GLU A 144 1.227 16.576 8.324 1.00 0.29 C ATOM 2263 O GLU A 144 0.443 17.456 8.679 1.00 0.35 O ATOM 2264 CB GLU A 144 3.665 17.165 8.273 1.00 0.41 C ATOM 2265 CG GLU A 144 3.430 18.668 8.239 1.00 0.64 C ATOM 2266 CD GLU A 144 4.517 19.416 7.501 1.00 1.09 C ATOM 2267 OE1 GLU A 144 5.517 19.809 8.139 1.00 1.25 O ATOM 2268 OE2 GLU A 144 4.379 19.621 6.277 1.00 1.75 O ATOM 0 H GLU A 144 3.733 14.696 8.593 1.00 0.29 H new ATOM 0 HA GLU A 144 2.503 16.798 10.033 1.00 0.33 H new ATOM 0 HB2 GLU A 144 4.628 16.966 8.743 1.00 0.41 H new ATOM 0 HB3 GLU A 144 3.726 16.791 7.251 1.00 0.41 H new ATOM 0 HG2 GLU A 144 2.470 18.870 7.764 1.00 0.64 H new ATOM 0 HG3 GLU A 144 3.366 19.044 9.260 1.00 0.64 H new ATOM 2275 N ASN A 145 0.951 15.715 7.351 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.309 15.767 6.612 1.00 0.28 C ATOM 2277 C ASN A 145 -1.416 15.011 7.344 1.00 0.30 C ATOM 2278 O ASN A 145 -2.447 14.684 6.757 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.142 15.206 5.194 1.00 0.32 C ATOM 2280 CG ASN A 145 0.504 16.198 4.238 1.00 0.34 C ATOM 2281 OD1 ASN A 145 -0.191 16.975 3.580 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.827 16.175 4.138 1.00 0.33 N ATOM 0 H ASN A 145 1.582 14.971 7.054 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.597 16.816 6.541 1.00 0.28 H new ATOM 0 HB2 ASN A 145 0.464 14.301 5.236 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.119 14.918 4.805 1.00 0.32 H new ATOM 0 HD21 ASN A 145 2.301 16.814 3.501 1.00 0.33 H new ATOM 0 HD22 ASN A 145 2.369 15.518 4.699 1.00 0.33 H new ATOM 2289 N GLY A 146 -1.200 14.735 8.625 1.00 0.25 N ATOM 2290 CA GLY A 146 -2.241 14.134 9.441 1.00 0.30 C ATOM 2291 C GLY A 146 -1.962 12.687 9.784 1.00 0.30 C ATOM 2292 O GLY A 146 -2.619 12.110 10.650 1.00 0.41 O ATOM 0 H GLY A 146 -0.323 14.916 9.114 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -2.348 14.706 10.363 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -3.192 14.200 8.913 1.00 0.30 H new ATOM 2296 N GLY A 147 -0.995 12.098 9.105 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.649 10.718 9.356 1.00 0.22 C ATOM 2298 C GLY A 147 -1.429 9.777 8.467 1.00 0.19 C ATOM 2299 O GLY A 147 -2.090 10.213 7.521 1.00 0.20 O ATOM 0 H GLY A 147 -0.440 12.553 8.380 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.419 10.574 9.190 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -0.845 10.478 10.401 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.358 8.487 8.766 1.00 0.20 N ATOM 2304 CA TRP A 148 -2.097 7.486 8.010 1.00 0.21 C ATOM 2305 C TRP A 148 -3.598 7.744 8.086 1.00 0.23 C ATOM 2306 O TRP A 148 -4.332 7.377 7.175 1.00 0.25 O ATOM 2307 CB TRP A 148 -1.792 6.078 8.517 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.399 5.608 8.217 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.554 5.228 9.120 1.00 0.28 C ATOM 2310 CD2 TRP A 148 0.198 5.465 6.921 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.695 4.841 8.466 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.504 4.979 7.118 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.246 5.692 5.614 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.369 4.718 6.060 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.616 5.434 4.564 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.911 4.949 4.794 1.00 0.24 C ATOM 0 H TRP A 148 -0.795 8.109 9.528 1.00 0.20 H new ATOM 0 HA TRP A 148 -1.777 7.561 6.971 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -1.949 6.049 9.595 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.503 5.381 8.073 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.427 5.232 10.192 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.548 4.505 8.912 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.244 6.062 5.428 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.368 4.346 6.234 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 0.286 5.609 3.551 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.560 4.754 3.953 1.00 0.24 H new ATOM 2327 N ASP A 149 -4.041 8.391 9.165 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.462 8.716 9.345 1.00 0.31 C ATOM 2329 C ASP A 149 -6.025 9.439 8.129 1.00 0.30 C ATOM 2330 O ASP A 149 -7.187 9.259 7.775 1.00 0.37 O ATOM 2331 CB ASP A 149 -5.691 9.579 10.592 1.00 0.40 C ATOM 2332 CG ASP A 149 -5.560 8.799 11.883 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -6.424 7.934 12.150 1.00 1.96 O ATOM 2334 OD2 ASP A 149 -4.580 9.030 12.624 1.00 1.94 O ATOM 0 H ASP A 149 -3.439 8.701 9.928 1.00 0.26 H new ATOM 0 HA ASP A 149 -5.983 7.767 9.471 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -4.974 10.400 10.596 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -6.685 10.024 10.542 1.00 0.40 H new ATOM 2339 N THR A 150 -5.197 10.252 7.494 1.00 0.27 N ATOM 2340 CA THR A 150 -5.605 10.978 6.307 1.00 0.29 C ATOM 2341 C THR A 150 -5.697 10.034 5.112 1.00 0.28 C ATOM 2342 O THR A 150 -6.702 9.999 4.403 1.00 0.33 O ATOM 2343 CB THR A 150 -4.605 12.104 6.002 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.401 12.893 7.181 1.00 0.38 O ATOM 2345 CG2 THR A 150 -5.110 12.991 4.874 1.00 0.37 C ATOM 0 H THR A 150 -4.234 10.425 7.784 1.00 0.27 H new ATOM 0 HA THR A 150 -6.587 11.414 6.491 1.00 0.29 H new ATOM 0 HB THR A 150 -3.663 11.655 5.689 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.686 13.543 7.020 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.384 13.780 4.678 1.00 0.37 H new ATOM 0 HG22 THR A 150 -5.247 12.392 3.974 1.00 0.37 H new ATOM 0 HG23 THR A 150 -6.062 13.438 5.161 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.644 9.249 4.913 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.569 8.334 3.783 1.00 0.25 C ATOM 2355 C PHE A 151 -5.652 7.258 3.876 1.00 0.26 C ATOM 2356 O PHE A 151 -6.318 6.944 2.887 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.182 7.686 3.726 1.00 0.25 C ATOM 2358 CG PHE A 151 -2.976 6.817 2.521 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -2.777 7.383 1.276 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -2.985 5.439 2.632 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -2.591 6.594 0.163 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -2.800 4.643 1.521 1.00 0.28 C ATOM 2363 CZ PHE A 151 -2.603 5.219 0.284 1.00 0.34 C ATOM 0 H PHE A 151 -3.827 9.229 5.524 1.00 0.24 H new ATOM 0 HA PHE A 151 -4.736 8.903 2.869 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.424 8.469 3.733 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.032 7.088 4.625 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -2.767 8.458 1.175 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -3.138 4.981 3.598 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -2.436 7.050 -0.803 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -2.809 3.568 1.620 1.00 0.28 H new ATOM 0 HZ PHE A 151 -2.459 4.597 -0.587 1.00 0.34 H new ATOM 2373 N VAL A 152 -5.837 6.712 5.072 1.00 0.25 N ATOM 2374 CA VAL A 152 -6.829 5.670 5.295 1.00 0.29 C ATOM 2375 C VAL A 152 -8.240 6.242 5.198 1.00 0.35 C ATOM 2376 O VAL A 152 -9.190 5.530 4.891 1.00 0.45 O ATOM 2377 CB VAL A 152 -6.632 4.987 6.665 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -7.628 3.855 6.856 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.213 4.465 6.799 1.00 0.28 C ATOM 0 H VAL A 152 -5.310 6.976 5.905 1.00 0.25 H new ATOM 0 HA VAL A 152 -6.695 4.918 4.517 1.00 0.29 H new ATOM 0 HB VAL A 152 -6.807 5.732 7.441 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -7.468 3.390 7.829 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -8.642 4.250 6.805 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -7.489 3.111 6.071 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -5.092 3.987 7.771 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -5.016 3.739 6.010 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -4.511 5.294 6.713 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.371 7.533 5.451 1.00 0.37 N ATOM 2390 CA GLU A 153 -9.649 8.209 5.294 1.00 0.46 C ATOM 2391 C GLU A 153 -10.025 8.281 3.817 1.00 0.51 C ATOM 2392 O GLU A 153 -11.188 8.112 3.450 1.00 0.62 O ATOM 2393 CB GLU A 153 -9.582 9.617 5.888 1.00 0.52 C ATOM 2394 CG GLU A 153 -10.917 10.341 5.912 1.00 0.70 C ATOM 2395 CD GLU A 153 -11.950 9.623 6.755 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -11.802 9.608 7.997 1.00 1.42 O ATOM 2397 OE2 GLU A 153 -12.913 9.066 6.182 1.00 2.17 O ATOM 0 H GLU A 153 -7.609 8.134 5.766 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.412 7.641 5.826 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.197 9.553 6.906 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -8.869 10.209 5.314 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -10.773 11.349 6.300 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.291 10.442 4.893 1.00 0.70 H new ATOM 2404 N LEU A 154 -9.025 8.510 2.973 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.246 8.652 1.536 1.00 0.59 C ATOM 2406 C LEU A 154 -9.741 7.346 0.918 1.00 0.68 C ATOM 2407 O LEU A 154 -10.734 7.333 0.190 1.00 0.74 O ATOM 2408 CB LEU A 154 -7.960 9.105 0.833 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.393 10.445 1.310 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.063 10.731 0.632 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.382 11.570 1.039 1.00 0.67 C ATOM 0 H LEU A 154 -8.050 8.602 3.259 1.00 0.50 H new ATOM 0 HA LEU A 154 -10.015 9.411 1.396 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -7.199 8.337 0.972 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -8.154 9.171 -0.237 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.226 10.385 2.386 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -5.674 11.687 0.982 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.353 9.940 0.874 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.206 10.771 -0.448 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -7.962 12.515 1.385 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -8.580 11.631 -0.031 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.313 11.371 1.569 1.00 0.67 H new ATOM 2444 N GLY A 156 -10.641 4.653 2.677 1.00 0.89 N ATOM 2445 CA GLY A 156 -11.387 3.888 3.659 1.00 1.02 C ATOM 2446 C GLY A 156 -12.806 4.384 3.819 1.00 1.11 C ATOM 2447 O GLY A 156 -13.626 3.732 4.463 1.00 1.68 O ATOM 0 HA2 GLY A 156 -11.403 2.839 3.363 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -10.876 3.940 4.621 1.00 1.02 H new ATOM 2451 N ASN A 157 -13.102 5.531 3.219 1.00 1.62 N ATOM 2452 CA ASN A 157 -14.428 6.132 3.320 1.00 2.05 C ATOM 2453 C ASN A 157 -15.475 5.226 2.677 1.00 2.33 C ATOM 2454 O ASN A 157 -16.490 4.895 3.292 1.00 2.52 O ATOM 2455 CB ASN A 157 -14.438 7.511 2.652 1.00 3.21 C ATOM 2456 CG ASN A 157 -15.787 8.202 2.735 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -16.547 8.005 3.685 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -16.090 9.025 1.742 1.00 4.60 N ATOM 0 H ASN A 157 -12.440 6.065 2.656 1.00 1.62 H new ATOM 0 HA ASN A 157 -14.674 6.252 4.375 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -13.684 8.142 3.122 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -14.155 7.403 1.605 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -16.980 9.523 1.746 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -15.433 9.161 0.974 1.00 4.60 H new ATOM 2465 N ASN A 158 -15.211 4.809 1.445 1.00 2.99 N ATOM 2466 CA ASN A 158 -16.115 3.912 0.735 1.00 4.03 C ATOM 2467 C ASN A 158 -16.001 2.495 1.284 1.00 4.18 C ATOM 2468 O ASN A 158 -17.000 1.793 1.409 1.00 4.81 O ATOM 2469 CB ASN A 158 -15.826 3.930 -0.771 1.00 5.08 C ATOM 2470 CG ASN A 158 -16.650 2.915 -1.545 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -17.817 3.155 -1.858 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -16.043 1.787 -1.884 1.00 6.76 N ATOM 0 H ASN A 158 -14.380 5.077 0.917 1.00 2.99 H new ATOM 0 HA ASN A 158 -17.135 4.262 0.891 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -16.027 4.927 -1.162 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -14.767 3.731 -0.935 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -16.544 1.081 -2.423 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -15.075 1.625 -1.606 1.00 6.76 H new ATOM 2479 N ALA A 159 -14.778 2.090 1.620 1.00 3.95 N ATOM 2480 CA ALA A 159 -14.526 0.773 2.198 1.00 4.72 C ATOM 2481 C ALA A 159 -15.403 0.530 3.420 1.00 4.66 C ATOM 2482 O ALA A 159 -16.137 -0.457 3.481 1.00 5.63 O ATOM 2483 CB ALA A 159 -13.058 0.626 2.566 1.00 4.78 C ATOM 0 H ALA A 159 -13.941 2.660 1.500 1.00 3.95 H new ATOM 0 HA ALA A 159 -14.778 0.025 1.447 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -12.888 -0.361 2.995 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -12.445 0.744 1.672 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -12.787 1.390 3.295 1.00 4.78 H new ATOM 2489 N ALA A 160 -15.337 1.445 4.384 1.00 3.75 N ATOM 2490 CA ALA A 160 -16.141 1.339 5.596 1.00 4.08 C ATOM 2491 C ALA A 160 -17.628 1.379 5.264 1.00 4.33 C ATOM 2492 O ALA A 160 -18.405 0.565 5.760 1.00 5.11 O ATOM 2493 CB ALA A 160 -15.785 2.451 6.571 1.00 3.59 C ATOM 0 H ALA A 160 -14.735 2.268 4.348 1.00 3.75 H new ATOM 0 HA ALA A 160 -15.921 0.381 6.067 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -16.395 2.356 7.470 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -14.731 2.377 6.838 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -15.974 3.418 6.105 1.00 3.59 H new ATOM 2499 N ALA A 161 -18.008 2.317 4.406 1.00 3.93 N ATOM 2500 CA ALA A 161 -19.400 2.477 4.002 1.00 4.43 C ATOM 2501 C ALA A 161 -19.956 1.211 3.349 1.00 5.54 C ATOM 2502 O ALA A 161 -21.066 0.784 3.655 1.00 6.11 O ATOM 2503 CB ALA A 161 -19.534 3.658 3.055 1.00 4.39 C ATOM 0 H ALA A 161 -17.367 2.983 3.974 1.00 3.93 H new ATOM 0 HA ALA A 161 -19.985 2.664 4.902 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -20.577 3.770 2.758 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -19.200 4.566 3.556 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -18.922 3.486 2.170 1.00 4.39 H new ATOM 2509 N GLU A 162 -19.186 0.611 2.452 1.00 5.98 N ATOM 2510 CA GLU A 162 -19.641 -0.561 1.715 1.00 7.23 C ATOM 2511 C GLU A 162 -19.667 -1.799 2.608 1.00 7.80 C ATOM 2512 O GLU A 162 -20.609 -2.592 2.550 1.00 8.75 O ATOM 2513 CB GLU A 162 -18.739 -0.807 0.506 1.00 7.72 C ATOM 2514 CG GLU A 162 -19.156 -2.001 -0.334 1.00 7.99 C ATOM 2515 CD GLU A 162 -18.244 -2.221 -1.519 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -17.161 -2.817 -1.338 1.00 9.03 O ATOM 2517 OE2 GLU A 162 -18.604 -1.801 -2.638 1.00 9.09 O ATOM 0 H GLU A 162 -18.242 0.917 2.216 1.00 5.98 H new ATOM 0 HA GLU A 162 -20.657 -0.369 1.371 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -18.736 0.084 -0.121 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -17.716 -0.957 0.851 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -19.160 -2.896 0.289 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -20.177 -1.854 -0.687 1.00 7.99 H new ATOM 2524 N SER A 163 -18.641 -1.963 3.434 1.00 7.39 N ATOM 2525 CA SER A 163 -18.541 -3.136 4.291 1.00 8.21 C ATOM 2526 C SER A 163 -19.689 -3.192 5.298 1.00 8.28 C ATOM 2527 O SER A 163 -20.322 -4.235 5.465 1.00 9.15 O ATOM 2528 CB SER A 163 -17.185 -3.168 5.004 1.00 8.03 C ATOM 2529 OG SER A 163 -16.862 -1.904 5.560 1.00 7.86 O ATOM 0 H SER A 163 -17.870 -1.302 3.528 1.00 7.39 H new ATOM 0 HA SER A 163 -18.618 -4.020 3.658 1.00 8.21 H new ATOM 0 HB2 SER A 163 -17.205 -3.920 5.793 1.00 8.03 H new ATOM 0 HB3 SER A 163 -16.409 -3.466 4.299 1.00 8.03 H new ATOM 0 HG SER A 163 -16.317 -1.396 4.923 1.00 7.86 H new ATOM 2535 N ARG A 164 -19.980 -2.065 5.942 1.00 7.47 N ATOM 2536 CA ARG A 164 -21.049 -2.023 6.936 1.00 7.60 C ATOM 2537 C ARG A 164 -22.420 -2.093 6.268 1.00 8.33 C ATOM 2538 O ARG A 164 -23.354 -2.683 6.812 1.00 8.87 O ATOM 2539 CB ARG A 164 -20.949 -0.769 7.811 1.00 6.69 C ATOM 2540 CG ARG A 164 -21.197 0.537 7.071 1.00 6.19 C ATOM 2541 CD ARG A 164 -21.218 1.718 8.026 1.00 5.74 C ATOM 2542 NE ARG A 164 -22.285 1.600 9.020 1.00 5.66 N ATOM 2543 CZ ARG A 164 -22.412 2.400 10.079 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -21.534 3.372 10.294 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -23.414 2.223 10.930 1.00 6.02 N ATOM 0 H ARG A 164 -19.497 -1.178 5.796 1.00 7.47 H new ATOM 0 HA ARG A 164 -20.931 -2.896 7.578 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -21.667 -0.852 8.627 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -19.957 -0.734 8.262 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -20.419 0.686 6.322 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -22.146 0.481 6.538 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -20.256 1.791 8.534 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -21.350 2.640 7.460 1.00 5.74 H new ATOM 0 HE ARG A 164 -22.975 0.859 8.895 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -20.757 3.510 9.647 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -21.636 3.981 11.106 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -24.089 1.474 10.775 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -23.510 2.836 11.740 1.00 6.02 H new ATOM 2559 N LYS A 165 -22.538 -1.510 5.079 1.00 8.52 N ATOM 2560 CA LYS A 165 -23.803 -1.524 4.361 1.00 9.41 C ATOM 2561 C LYS A 165 -24.091 -2.929 3.846 1.00 10.47 C ATOM 2562 O LYS A 165 -25.247 -3.300 3.631 1.00 11.24 O ATOM 2563 CB LYS A 165 -23.792 -0.519 3.208 1.00 9.61 C ATOM 2564 CG LYS A 165 -25.174 -0.233 2.644 1.00 9.69 C ATOM 2565 CD LYS A 165 -26.108 0.293 3.723 1.00 10.12 C ATOM 2566 CE LYS A 165 -27.513 0.532 3.192 1.00 10.34 C ATOM 2567 NZ LYS A 165 -27.549 1.589 2.147 1.00 10.42 N ATOM 0 H LYS A 165 -21.779 -1.027 4.598 1.00 8.52 H new ATOM 0 HA LYS A 165 -24.595 -1.230 5.050 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -23.348 0.415 3.554 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -23.154 -0.899 2.410 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -25.097 0.497 1.838 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -25.589 -1.143 2.212 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -26.148 -0.419 4.547 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -25.709 1.224 4.126 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -27.906 -0.397 2.779 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -28.167 0.817 4.016 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -28.537 1.812 1.913 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -27.076 2.444 2.502 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -27.059 1.251 1.294 1.00 10.42 H new ATOM 2581 N GLY A 166 -23.030 -3.707 3.664 1.00 10.61 N ATOM 2582 CA GLY A 166 -23.179 -5.098 3.292 1.00 11.72 C ATOM 2583 C GLY A 166 -23.915 -5.885 4.358 1.00 12.02 C ATOM 2584 O GLY A 166 -24.651 -6.823 4.050 1.00 13.02 O ATOM 0 H GLY A 166 -22.065 -3.395 3.769 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -23.721 -5.167 2.349 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -22.196 -5.539 3.128 1.00 11.72 H new ATOM 2588 N GLN A 167 -23.724 -5.487 5.611 1.00 11.25 N ATOM 2589 CA GLN A 167 -24.434 -6.093 6.733 1.00 11.64 C ATOM 2590 C GLN A 167 -25.930 -5.807 6.624 1.00 12.01 C ATOM 2591 O GLN A 167 -26.758 -6.704 6.775 1.00 12.84 O ATOM 2592 CB GLN A 167 -23.880 -5.566 8.067 1.00 10.86 C ATOM 2593 CG GLN A 167 -24.639 -6.042 9.299 1.00 11.50 C ATOM 2594 CD GLN A 167 -24.665 -7.551 9.443 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -23.780 -8.145 10.059 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -25.689 -8.182 8.892 1.00 12.41 N ATOM 0 H GLN A 167 -23.079 -4.743 5.877 1.00 11.25 H new ATOM 0 HA GLN A 167 -24.282 -7.172 6.702 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -22.837 -5.870 8.158 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -23.893 -4.476 8.046 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -24.183 -5.607 10.188 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -25.663 -5.671 9.252 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -26.403 -7.654 8.389 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -25.765 -9.196 8.970 1.00 12.41 H new ATOM 2605 N GLU A 168 -26.271 -4.556 6.338 1.00 11.51 N ATOM 2606 CA GLU A 168 -27.666 -4.167 6.163 1.00 11.94 C ATOM 2607 C GLU A 168 -28.275 -4.877 4.957 1.00 13.03 C ATOM 2608 O GLU A 168 -29.473 -5.159 4.925 1.00 13.73 O ATOM 2609 CB GLU A 168 -27.783 -2.651 5.990 1.00 11.38 C ATOM 2610 CG GLU A 168 -27.313 -1.862 7.200 1.00 10.85 C ATOM 2611 CD GLU A 168 -28.115 -2.172 8.447 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -29.294 -1.766 8.518 1.00 10.98 O ATOM 2613 OE2 GLU A 168 -27.573 -2.822 9.368 1.00 10.74 O ATOM 0 H GLU A 168 -25.602 -3.795 6.222 1.00 11.51 H new ATOM 0 HA GLU A 168 -28.215 -4.462 7.057 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -27.201 -2.347 5.120 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -28.822 -2.397 5.782 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -26.261 -2.081 7.385 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -27.383 -0.796 6.983 1.00 10.85 H new