USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 654 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 9 SER OG : rot 99:sc= 0.871 USER MOD Set 1.2: A 35 TYR OH : rot -88:sc= 1.37 USER MOD Set 2.1: A 18 LYS NZ :NH3+ -113:sc= 0.775! (180deg=-3.22!) USER MOD Set 2.2: A 33 TYR OH : rot -30:sc= 2.29 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.0708 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.15 (180deg=0.81) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 3 THR OG1 : rot 99:sc= 1 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 141:sc= 1.38 (180deg=-2.78!) USER MOD Single : A 25 SER OG : rot 85:sc= 0.912 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.24! C(o=-2.6!,f=-1.2!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.132 K(o=0.13,f=-8.1!) USER MOD Single : A 44 THR OG1 : rot -149:sc= 0.243 USER MOD Single : A 45 LYS NZ :NH3+ 135:sc= -2.03! (180deg=-4.87!) USER MOD Single : A 49 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.92) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.27 F(o=-3.2!,f=-2.3) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0.346 (180deg=0.345) USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= -1.48! (180deg=-6.7!) USER MOD Single : A 58 THR OG1 : rot 12:sc= 0.957 USER MOD Single : A 61 GLN : amide:sc= -0.915 K(o=-0.91,f=-6!) USER MOD Single : A 66 GLN : amide:sc= 1.05 K(o=1.1,f=-0.026) USER MOD Single : A 67 GLN :FLIP amide:sc= -1.47 F(o=-5.3!,f=-1.5) USER MOD Single : A 68 HIS : no HE2:sc= -9.69! C(o=-9.7!,f=-13!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0.984 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -2.83! (180deg=-4.17!) USER MOD Single : A 82 ASN : amide:sc= 0.0846 X(o=0.085,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.067 -3.388 6.259 1.00 1.76 N ATOM 2 CA MET A 1 -8.310 -2.316 5.562 1.00 1.54 C ATOM 3 C MET A 1 -6.813 -2.675 5.533 1.00 1.62 C ATOM 4 O MET A 1 -5.997 -1.954 6.064 1.00 2.22 O ATOM 5 CB MET A 1 -8.501 -0.975 6.296 1.00 1.81 C ATOM 6 CG MET A 1 -8.062 0.183 5.396 1.00 2.60 C ATOM 7 SD MET A 1 -9.257 0.733 4.157 1.00 2.28 S ATOM 8 CE MET A 1 -10.252 1.760 5.272 1.00 1.88 C ATOM 0 H1 MET A 1 -10.022 -3.046 6.488 1.00 1.76 H new ATOM 0 H2 MET A 1 -9.137 -4.222 5.641 1.00 1.76 H new ATOM 0 H3 MET A 1 -8.573 -3.648 7.136 1.00 1.76 H new ATOM 0 HA MET A 1 -8.683 -2.223 4.542 1.00 1.54 H new ATOM 0 HB2 MET A 1 -9.547 -0.851 6.578 1.00 1.81 H new ATOM 0 HB3 MET A 1 -7.920 -0.970 7.218 1.00 1.81 H new ATOM 0 HG2 MET A 1 -7.811 1.033 6.030 1.00 2.60 H new ATOM 0 HG3 MET A 1 -7.147 -0.111 4.882 1.00 2.60 H new ATOM 0 HE1 MET A 1 -10.705 2.576 4.708 1.00 1.88 H new ATOM 0 HE2 MET A 1 -11.036 1.152 5.724 1.00 1.88 H new ATOM 0 HE3 MET A 1 -9.614 2.170 6.055 1.00 1.88 H new ATOM 18 N GLN A 2 -6.458 -3.763 4.900 1.00 1.34 N ATOM 19 CA GLN A 2 -5.004 -4.129 4.860 1.00 1.67 C ATOM 20 C GLN A 2 -4.398 -3.576 3.564 1.00 1.46 C ATOM 21 O GLN A 2 -5.120 -3.056 2.757 1.00 1.87 O ATOM 22 CB GLN A 2 -4.838 -5.652 4.949 1.00 2.10 C ATOM 23 CG GLN A 2 -5.820 -6.332 4.001 1.00 1.75 C ATOM 24 CD GLN A 2 -5.526 -7.833 3.960 1.00 2.27 C ATOM 25 OE1 GLN A 2 -5.468 -8.495 4.971 1.00 2.82 O ATOM 26 NE2 GLN A 2 -5.339 -8.402 2.811 1.00 3.32 N ATOM 0 H GLN A 2 -7.091 -4.402 4.419 1.00 1.34 H new ATOM 0 HA GLN A 2 -4.482 -3.694 5.712 1.00 1.67 H new ATOM 0 HB2 GLN A 2 -3.816 -5.932 4.692 1.00 2.10 H new ATOM 0 HB3 GLN A 2 -5.013 -5.987 5.971 1.00 2.10 H new ATOM 0 HG2 GLN A 2 -6.843 -6.159 4.334 1.00 1.75 H new ATOM 0 HG3 GLN A 2 -5.733 -5.905 3.002 1.00 1.75 H new ATOM 0 HE21 GLN A 2 -5.387 -7.850 1.955 1.00 3.32 H new ATOM 0 HE22 GLN A 2 -5.144 -9.402 2.763 1.00 3.32 H new ATOM 35 N THR A 3 -3.109 -3.658 3.377 1.00 1.05 N ATOM 36 CA THR A 3 -2.520 -3.113 2.109 1.00 0.91 C ATOM 37 C THR A 3 -1.594 -4.121 1.435 1.00 0.73 C ATOM 38 O THR A 3 -0.901 -4.878 2.082 1.00 0.77 O ATOM 39 CB THR A 3 -1.725 -1.842 2.443 1.00 1.08 C ATOM 40 OG1 THR A 3 -2.681 -0.978 3.038 1.00 1.28 O ATOM 41 CG2 THR A 3 -1.244 -1.101 1.189 1.00 1.09 C ATOM 0 H THR A 3 -2.444 -4.070 4.031 1.00 1.05 H new ATOM 0 HA THR A 3 -3.334 -2.895 1.418 1.00 0.91 H new ATOM 0 HB THR A 3 -0.859 -2.103 3.051 1.00 1.08 H new ATOM 0 HG1 THR A 3 -2.595 -1.017 4.013 1.00 1.28 H new ATOM 0 HG21 THR A 3 -0.688 -0.211 1.483 1.00 1.09 H new ATOM 0 HG22 THR A 3 -0.598 -1.756 0.605 1.00 1.09 H new ATOM 0 HG23 THR A 3 -2.104 -0.809 0.587 1.00 1.09 H new ATOM 49 N VAL A 4 -1.606 -4.092 0.136 1.00 0.65 N ATOM 50 CA VAL A 4 -0.729 -4.995 -0.662 1.00 0.55 C ATOM 51 C VAL A 4 0.122 -4.080 -1.534 1.00 0.58 C ATOM 52 O VAL A 4 -0.419 -3.301 -2.309 1.00 0.62 O ATOM 53 CB VAL A 4 -1.580 -5.920 -1.551 1.00 0.50 C ATOM 54 CG1 VAL A 4 -0.756 -7.169 -1.906 1.00 0.86 C ATOM 55 CG2 VAL A 4 -2.882 -6.324 -0.833 1.00 0.70 C ATOM 0 H VAL A 4 -2.195 -3.471 -0.419 1.00 0.65 H new ATOM 0 HA VAL A 4 -0.119 -5.629 -0.019 1.00 0.55 H new ATOM 0 HB VAL A 4 -1.853 -5.389 -2.463 1.00 0.50 H new ATOM 0 HG11 VAL A 4 -1.351 -7.830 -2.536 1.00 0.86 H new ATOM 0 HG12 VAL A 4 0.145 -6.870 -2.442 1.00 0.86 H new ATOM 0 HG13 VAL A 4 -0.477 -7.693 -0.992 1.00 0.86 H new ATOM 0 HG21 VAL A 4 -3.467 -6.977 -1.480 1.00 0.70 H new ATOM 0 HG22 VAL A 4 -2.640 -6.850 0.090 1.00 0.70 H new ATOM 0 HG23 VAL A 4 -3.461 -5.431 -0.600 1.00 0.70 H new ATOM 65 N ILE A 5 1.408 -4.134 -1.337 1.00 0.61 N ATOM 66 CA ILE A 5 2.306 -3.269 -2.153 1.00 0.63 C ATOM 67 C ILE A 5 2.899 -4.125 -3.270 1.00 0.51 C ATOM 68 O ILE A 5 3.685 -5.010 -3.003 1.00 0.55 O ATOM 69 CB ILE A 5 3.437 -2.706 -1.271 1.00 0.75 C ATOM 70 CG1 ILE A 5 2.834 -2.114 0.016 1.00 0.92 C ATOM 71 CG2 ILE A 5 4.180 -1.601 -2.048 1.00 0.72 C ATOM 72 CD1 ILE A 5 3.945 -1.603 0.930 1.00 2.89 C ATOM 0 H ILE A 5 1.874 -4.732 -0.655 1.00 0.61 H new ATOM 0 HA ILE A 5 1.746 -2.433 -2.572 1.00 0.63 H new ATOM 0 HB ILE A 5 4.134 -3.503 -1.011 1.00 0.75 H new ATOM 0 HG12 ILE A 5 2.154 -1.299 -0.233 1.00 0.92 H new ATOM 0 HG13 ILE A 5 2.247 -2.872 0.534 1.00 0.92 H new ATOM 0 HG21 ILE A 5 4.982 -1.198 -1.430 1.00 0.72 H new ATOM 0 HG22 ILE A 5 4.602 -2.020 -2.962 1.00 0.72 H new ATOM 0 HG23 ILE A 5 3.482 -0.803 -2.303 1.00 0.72 H new ATOM 0 HD11 ILE A 5 3.507 -1.186 1.837 1.00 2.89 H new ATOM 0 HD12 ILE A 5 4.608 -2.427 1.193 1.00 2.89 H new ATOM 0 HD13 ILE A 5 4.514 -0.830 0.414 1.00 2.89 H new ATOM 84 N PHE A 6 2.534 -3.818 -4.484 1.00 0.49 N ATOM 85 CA PHE A 6 3.046 -4.592 -5.647 1.00 0.51 C ATOM 86 C PHE A 6 4.208 -3.789 -6.196 1.00 0.55 C ATOM 87 O PHE A 6 4.064 -3.067 -7.169 1.00 0.70 O ATOM 88 CB PHE A 6 1.944 -4.709 -6.711 1.00 0.67 C ATOM 89 CG PHE A 6 0.917 -5.779 -6.319 1.00 0.71 C ATOM 90 CD1 PHE A 6 -0.077 -5.508 -5.394 1.00 1.08 C ATOM 91 CD2 PHE A 6 0.966 -7.038 -6.897 1.00 0.72 C ATOM 92 CE1 PHE A 6 -1.001 -6.479 -5.058 1.00 1.25 C ATOM 93 CE2 PHE A 6 0.041 -8.002 -6.557 1.00 0.86 C ATOM 94 CZ PHE A 6 -0.939 -7.723 -5.641 1.00 1.06 C ATOM 0 H PHE A 6 1.897 -3.057 -4.721 1.00 0.49 H new ATOM 0 HA PHE A 6 3.351 -5.600 -5.364 1.00 0.51 H new ATOM 0 HB2 PHE A 6 1.445 -3.747 -6.831 1.00 0.67 H new ATOM 0 HB3 PHE A 6 2.388 -4.961 -7.674 1.00 0.67 H new ATOM 0 HD1 PHE A 6 -0.130 -4.533 -4.933 1.00 1.08 H new ATOM 0 HD2 PHE A 6 1.735 -7.266 -7.620 1.00 0.72 H new ATOM 0 HE1 PHE A 6 -1.774 -6.260 -4.336 1.00 1.25 H new ATOM 0 HE2 PHE A 6 0.089 -8.979 -7.014 1.00 0.86 H new ATOM 0 HZ PHE A 6 -1.663 -8.480 -5.377 1.00 1.06 H new ATOM 104 N GLY A 7 5.327 -3.891 -5.531 1.00 0.57 N ATOM 105 CA GLY A 7 6.501 -3.100 -5.981 1.00 0.66 C ATOM 106 C GLY A 7 7.714 -3.972 -6.224 1.00 0.74 C ATOM 107 O GLY A 7 7.697 -4.823 -7.082 1.00 1.03 O ATOM 0 H GLY A 7 5.476 -4.478 -4.710 1.00 0.57 H new ATOM 0 HA2 GLY A 7 6.249 -2.567 -6.897 1.00 0.66 H new ATOM 0 HA3 GLY A 7 6.740 -2.347 -5.230 1.00 0.66 H new ATOM 111 N ARG A 8 8.701 -3.787 -5.399 1.00 1.28 N ATOM 112 CA ARG A 8 9.980 -4.536 -5.530 1.00 1.49 C ATOM 113 C ARG A 8 10.919 -4.060 -4.414 1.00 1.75 C ATOM 114 O ARG A 8 11.538 -4.869 -3.746 1.00 2.63 O ATOM 115 CB ARG A 8 10.610 -4.249 -6.909 1.00 1.58 C ATOM 116 CG ARG A 8 10.615 -2.728 -7.197 1.00 2.45 C ATOM 117 CD ARG A 8 11.213 -2.456 -8.579 1.00 2.78 C ATOM 118 NE ARG A 8 12.525 -3.164 -8.667 1.00 2.89 N ATOM 119 CZ ARG A 8 13.623 -2.482 -8.776 1.00 3.95 C ATOM 120 NH1 ARG A 8 14.167 -2.014 -7.684 1.00 4.86 N ATOM 121 NH2 ARG A 8 14.127 -2.286 -9.969 1.00 4.76 N ATOM 0 H ARG A 8 8.675 -3.131 -4.618 1.00 1.28 H new ATOM 0 HA ARG A 8 9.807 -5.609 -5.446 1.00 1.49 H new ATOM 0 HB2 ARG A 8 11.629 -4.634 -6.937 1.00 1.58 H new ATOM 0 HB3 ARG A 8 10.051 -4.770 -7.686 1.00 1.58 H new ATOM 0 HG2 ARG A 8 9.598 -2.338 -7.149 1.00 2.45 H new ATOM 0 HG3 ARG A 8 11.193 -2.207 -6.433 1.00 2.45 H new ATOM 0 HD2 ARG A 8 10.539 -2.806 -9.361 1.00 2.78 H new ATOM 0 HD3 ARG A 8 11.348 -1.385 -8.731 1.00 2.78 H new ATOM 0 HE ARG A 8 12.558 -4.183 -8.641 1.00 2.89 H new ATOM 0 HH11 ARG A 8 13.728 -2.189 -6.780 1.00 4.86 H new ATOM 0 HH12 ARG A 8 15.031 -1.474 -7.736 1.00 4.86 H new ATOM 0 HH21 ARG A 8 13.657 -2.667 -10.790 1.00 4.76 H new ATOM 0 HH22 ARG A 8 14.990 -1.752 -10.077 1.00 4.76 H new ATOM 135 N SER A 9 10.959 -2.745 -4.256 1.00 2.64 N ATOM 136 CA SER A 9 11.809 -2.046 -3.220 1.00 3.33 C ATOM 137 C SER A 9 13.123 -1.557 -3.847 1.00 2.92 C ATOM 138 O SER A 9 13.499 -1.980 -4.935 1.00 3.16 O ATOM 139 CB SER A 9 12.135 -2.964 -2.034 1.00 4.16 C ATOM 140 OG SER A 9 10.873 -3.496 -1.662 1.00 5.04 O ATOM 0 H SER A 9 10.412 -2.103 -4.830 1.00 2.64 H new ATOM 0 HA SER A 9 11.231 -1.198 -2.853 1.00 3.33 H new ATOM 0 HB2 SER A 9 12.833 -3.751 -2.318 1.00 4.16 H new ATOM 0 HB3 SER A 9 12.594 -2.411 -1.214 1.00 4.16 H new ATOM 0 HG SER A 9 10.770 -4.393 -2.044 1.00 5.04 H new ATOM 146 N GLY A 10 13.781 -0.647 -3.161 1.00 3.14 N ATOM 147 CA GLY A 10 15.085 -0.107 -3.678 1.00 3.03 C ATOM 148 C GLY A 10 14.867 1.218 -4.412 1.00 2.98 C ATOM 149 O GLY A 10 15.807 1.939 -4.703 1.00 3.52 O ATOM 0 H GLY A 10 13.474 -0.257 -2.270 1.00 3.14 H new ATOM 0 HA2 GLY A 10 15.778 0.040 -2.849 1.00 3.03 H new ATOM 0 HA3 GLY A 10 15.543 -0.831 -4.352 1.00 3.03 H new ATOM 153 N CYS A 11 13.621 1.501 -4.677 1.00 2.53 N ATOM 154 CA CYS A 11 13.241 2.745 -5.404 1.00 2.55 C ATOM 155 C CYS A 11 12.404 3.672 -4.499 1.00 2.47 C ATOM 156 O CYS A 11 11.572 3.214 -3.745 1.00 2.48 O ATOM 157 CB CYS A 11 12.401 2.310 -6.606 1.00 2.37 C ATOM 158 SG CYS A 11 11.594 0.689 -6.479 1.00 1.86 S ATOM 0 H CYS A 11 12.833 0.909 -4.414 1.00 2.53 H new ATOM 0 HA CYS A 11 14.130 3.296 -5.711 1.00 2.55 H new ATOM 0 HB2 CYS A 11 11.631 3.063 -6.776 1.00 2.37 H new ATOM 0 HB3 CYS A 11 13.042 2.305 -7.488 1.00 2.37 H new ATOM 163 N PRO A 12 12.591 4.971 -4.620 1.00 2.78 N ATOM 164 CA PRO A 12 11.830 5.937 -3.795 1.00 2.95 C ATOM 165 C PRO A 12 10.316 5.659 -3.845 1.00 2.51 C ATOM 166 O PRO A 12 9.701 5.406 -2.827 1.00 2.65 O ATOM 167 CB PRO A 12 12.195 7.316 -4.382 1.00 3.51 C ATOM 168 CG PRO A 12 12.940 7.045 -5.712 1.00 3.77 C ATOM 169 CD PRO A 12 13.484 5.610 -5.617 1.00 3.22 C ATOM 0 HA PRO A 12 12.084 5.870 -2.737 1.00 2.95 H new ATOM 0 HB2 PRO A 12 11.300 7.914 -4.554 1.00 3.51 H new ATOM 0 HB3 PRO A 12 12.825 7.877 -3.692 1.00 3.51 H new ATOM 0 HG2 PRO A 12 12.267 7.150 -6.563 1.00 3.77 H new ATOM 0 HG3 PRO A 12 13.751 7.759 -5.856 1.00 3.77 H new ATOM 0 HD2 PRO A 12 13.443 5.100 -6.579 1.00 3.22 H new ATOM 0 HD3 PRO A 12 14.525 5.595 -5.293 1.00 3.22 H new ATOM 177 N TYR A 13 9.772 5.611 -5.035 1.00 2.26 N ATOM 178 CA TYR A 13 8.292 5.373 -5.168 1.00 2.12 C ATOM 179 C TYR A 13 7.851 3.969 -4.743 1.00 1.70 C ATOM 180 O TYR A 13 6.674 3.681 -4.761 1.00 2.31 O ATOM 181 CB TYR A 13 7.870 5.615 -6.628 1.00 2.25 C ATOM 182 CG TYR A 13 7.430 7.078 -6.805 1.00 1.95 C ATOM 183 CD1 TYR A 13 8.200 8.119 -6.316 1.00 2.05 C ATOM 184 CD2 TYR A 13 6.244 7.374 -7.448 1.00 2.59 C ATOM 185 CE1 TYR A 13 7.786 9.427 -6.465 1.00 2.39 C ATOM 186 CE2 TYR A 13 5.833 8.684 -7.598 1.00 2.78 C ATOM 187 CZ TYR A 13 6.599 9.720 -7.107 1.00 2.53 C ATOM 188 OH TYR A 13 6.181 11.024 -7.264 1.00 3.15 O ATOM 0 H TYR A 13 10.277 5.724 -5.914 1.00 2.26 H new ATOM 0 HA TYR A 13 7.802 6.072 -4.490 1.00 2.12 H new ATOM 0 HB2 TYR A 13 8.700 5.391 -7.298 1.00 2.25 H new ATOM 0 HB3 TYR A 13 7.054 4.945 -6.897 1.00 2.25 H new ATOM 0 HD1 TYR A 13 9.132 7.906 -5.814 1.00 2.05 H new ATOM 0 HD2 TYR A 13 5.632 6.574 -7.837 1.00 2.59 H new ATOM 0 HE1 TYR A 13 8.396 10.229 -6.076 1.00 2.39 H new ATOM 0 HE2 TYR A 13 4.904 8.899 -8.104 1.00 2.78 H new ATOM 0 HH TYR A 13 5.324 11.038 -7.740 1.00 3.15 H new ATOM 198 N CYS A 14 8.761 3.119 -4.369 1.00 1.21 N ATOM 199 CA CYS A 14 8.332 1.748 -3.944 1.00 0.90 C ATOM 200 C CYS A 14 8.578 1.590 -2.447 1.00 0.66 C ATOM 201 O CYS A 14 7.743 1.072 -1.720 1.00 0.77 O ATOM 202 CB CYS A 14 9.095 0.679 -4.742 1.00 0.96 C ATOM 203 SG CYS A 14 10.893 0.589 -4.581 1.00 2.33 S ATOM 0 H CYS A 14 9.764 3.301 -4.337 1.00 1.21 H new ATOM 0 HA CYS A 14 7.269 1.617 -4.145 1.00 0.90 H new ATOM 0 HB2 CYS A 14 8.690 -0.293 -4.462 1.00 0.96 H new ATOM 0 HB3 CYS A 14 8.865 0.828 -5.797 1.00 0.96 H new ATOM 208 N VAL A 15 9.702 2.073 -1.993 1.00 0.72 N ATOM 209 CA VAL A 15 9.993 1.965 -0.541 1.00 0.62 C ATOM 210 C VAL A 15 9.103 2.961 0.204 1.00 0.62 C ATOM 211 O VAL A 15 8.682 2.687 1.308 1.00 0.79 O ATOM 212 CB VAL A 15 11.472 2.254 -0.287 1.00 0.74 C ATOM 213 CG1 VAL A 15 11.775 2.077 1.209 1.00 0.82 C ATOM 214 CG2 VAL A 15 12.295 1.247 -1.090 1.00 0.92 C ATOM 0 H VAL A 15 10.419 2.530 -2.556 1.00 0.72 H new ATOM 0 HA VAL A 15 9.783 0.957 -0.183 1.00 0.62 H new ATOM 0 HB VAL A 15 11.718 3.273 -0.585 1.00 0.74 H new ATOM 0 HG11 VAL A 15 12.829 2.282 1.393 1.00 0.82 H new ATOM 0 HG12 VAL A 15 11.164 2.769 1.788 1.00 0.82 H new ATOM 0 HG13 VAL A 15 11.547 1.054 1.508 1.00 0.82 H new ATOM 0 HG21 VAL A 15 13.357 1.432 -0.926 1.00 0.92 H new ATOM 0 HG22 VAL A 15 12.049 0.236 -0.767 1.00 0.92 H new ATOM 0 HG23 VAL A 15 12.068 1.355 -2.151 1.00 0.92 H new ATOM 224 N ARG A 16 8.774 4.076 -0.428 1.00 0.60 N ATOM 225 CA ARG A 16 7.887 5.088 0.247 1.00 0.69 C ATOM 226 C ARG A 16 6.441 4.579 0.336 1.00 0.73 C ATOM 227 O ARG A 16 5.503 5.356 0.431 1.00 1.60 O ATOM 228 CB ARG A 16 7.888 6.400 -0.554 1.00 0.88 C ATOM 229 CG ARG A 16 9.085 7.282 -0.173 1.00 1.34 C ATOM 230 CD ARG A 16 8.958 7.761 1.286 1.00 1.90 C ATOM 231 NE ARG A 16 7.538 8.164 1.574 1.00 2.28 N ATOM 232 CZ ARG A 16 6.945 7.704 2.642 1.00 2.86 C ATOM 233 NH1 ARG A 16 7.397 8.047 3.808 1.00 3.62 N ATOM 234 NH2 ARG A 16 5.944 6.892 2.514 1.00 3.65 N ATOM 0 H ARG A 16 9.078 4.324 -1.369 1.00 0.60 H new ATOM 0 HA ARG A 16 8.275 5.254 1.252 1.00 0.69 H new ATOM 0 HB2 ARG A 16 7.921 6.178 -1.621 1.00 0.88 H new ATOM 0 HB3 ARG A 16 6.960 6.942 -0.370 1.00 0.88 H new ATOM 0 HG2 ARG A 16 10.012 6.722 -0.299 1.00 1.34 H new ATOM 0 HG3 ARG A 16 9.138 8.142 -0.841 1.00 1.34 H new ATOM 0 HD2 ARG A 16 9.264 6.966 1.966 1.00 1.90 H new ATOM 0 HD3 ARG A 16 9.626 8.604 1.460 1.00 1.90 H new ATOM 0 HE ARG A 16 7.043 8.791 0.940 1.00 2.28 H new ATOM 0 HH11 ARG A 16 8.204 8.667 3.880 1.00 3.62 H new ATOM 0 HH12 ARG A 16 6.946 7.697 4.653 1.00 3.62 H new ATOM 0 HH21 ARG A 16 5.626 6.617 1.585 1.00 3.65 H new ATOM 0 HH22 ARG A 16 5.474 6.527 3.343 1.00 3.65 H new ATOM 248 N ALA A 17 6.301 3.290 0.290 1.00 1.06 N ATOM 249 CA ALA A 17 4.965 2.652 0.385 1.00 1.02 C ATOM 250 C ALA A 17 4.986 1.710 1.589 1.00 1.02 C ATOM 251 O ALA A 17 4.120 1.759 2.447 1.00 1.08 O ATOM 252 CB ALA A 17 4.698 1.860 -0.899 1.00 1.02 C ATOM 0 H ALA A 17 7.076 2.635 0.188 1.00 1.06 H new ATOM 0 HA ALA A 17 4.180 3.398 0.507 1.00 1.02 H new ATOM 0 HB1 ALA A 17 3.718 1.387 -0.838 1.00 1.02 H new ATOM 0 HB2 ALA A 17 4.723 2.535 -1.755 1.00 1.02 H new ATOM 0 HB3 ALA A 17 5.463 1.093 -1.019 1.00 1.02 H new ATOM 258 N LYS A 18 6.010 0.893 1.659 1.00 1.00 N ATOM 259 CA LYS A 18 6.113 -0.063 2.780 1.00 1.02 C ATOM 260 C LYS A 18 6.110 0.686 4.114 1.00 1.07 C ATOM 261 O LYS A 18 5.728 0.139 5.137 1.00 1.38 O ATOM 262 CB LYS A 18 7.394 -0.877 2.571 1.00 1.02 C ATOM 263 CG LYS A 18 7.601 -1.801 3.771 1.00 1.23 C ATOM 264 CD LYS A 18 8.459 -1.074 4.806 1.00 1.64 C ATOM 265 CE LYS A 18 8.440 -1.859 6.122 1.00 2.03 C ATOM 266 NZ LYS A 18 7.163 -1.581 6.856 1.00 2.56 N ATOM 0 H LYS A 18 6.773 0.855 0.983 1.00 1.00 H new ATOM 0 HA LYS A 18 5.259 -0.740 2.806 1.00 1.02 H new ATOM 0 HB2 LYS A 18 7.322 -1.462 1.654 1.00 1.02 H new ATOM 0 HB3 LYS A 18 8.249 -0.210 2.458 1.00 1.02 H new ATOM 0 HG2 LYS A 18 6.640 -2.079 4.204 1.00 1.23 H new ATOM 0 HG3 LYS A 18 8.088 -2.724 3.458 1.00 1.23 H new ATOM 0 HD2 LYS A 18 9.482 -0.976 4.443 1.00 1.64 H new ATOM 0 HD3 LYS A 18 8.079 -0.065 4.966 1.00 1.64 H new ATOM 0 HE2 LYS A 18 8.531 -2.927 5.921 1.00 2.03 H new ATOM 0 HE3 LYS A 18 9.294 -1.577 6.738 1.00 2.03 H new ATOM 0 HZ1 LYS A 18 7.372 -1.055 7.729 1.00 2.56 H new ATOM 0 HZ2 LYS A 18 6.532 -1.015 6.253 1.00 2.56 H new ATOM 0 HZ3 LYS A 18 6.698 -2.480 7.096 1.00 2.56 H new ATOM 280 N ASP A 19 6.601 1.890 4.088 1.00 0.90 N ATOM 281 CA ASP A 19 6.619 2.704 5.328 1.00 0.97 C ATOM 282 C ASP A 19 5.228 3.331 5.534 1.00 0.78 C ATOM 283 O ASP A 19 4.760 3.444 6.641 1.00 0.74 O ATOM 284 CB ASP A 19 7.651 3.812 5.168 1.00 1.11 C ATOM 285 CG ASP A 19 7.041 4.867 4.268 1.00 1.96 C ATOM 286 OD1 ASP A 19 6.963 4.582 3.090 1.00 2.88 O ATOM 287 OD2 ASP A 19 6.560 5.839 4.826 1.00 3.28 O ATOM 0 H ASP A 19 6.990 2.345 3.262 1.00 0.90 H new ATOM 0 HA ASP A 19 6.872 2.081 6.186 1.00 0.97 H new ATOM 0 HB2 ASP A 19 7.912 4.237 6.137 1.00 1.11 H new ATOM 0 HB3 ASP A 19 8.571 3.421 4.733 1.00 1.11 H new ATOM 292 N LEU A 20 4.598 3.757 4.465 1.00 0.74 N ATOM 293 CA LEU A 20 3.238 4.363 4.631 1.00 0.64 C ATOM 294 C LEU A 20 2.350 3.285 5.252 1.00 0.61 C ATOM 295 O LEU A 20 1.698 3.518 6.254 1.00 0.63 O ATOM 296 CB LEU A 20 2.685 4.850 3.268 1.00 0.65 C ATOM 297 CG LEU A 20 1.290 5.506 3.426 1.00 0.61 C ATOM 298 CD1 LEU A 20 1.333 6.620 4.485 1.00 0.74 C ATOM 299 CD2 LEU A 20 0.864 6.144 2.094 1.00 0.76 C ATOM 0 H LEU A 20 4.954 3.714 3.510 1.00 0.74 H new ATOM 0 HA LEU A 20 3.271 5.241 5.276 1.00 0.64 H new ATOM 0 HB2 LEU A 20 3.378 5.567 2.828 1.00 0.65 H new ATOM 0 HB3 LEU A 20 2.617 4.008 2.579 1.00 0.65 H new ATOM 0 HG LEU A 20 0.586 4.731 3.729 1.00 0.61 H new ATOM 0 HD11 LEU A 20 0.344 7.069 4.582 1.00 0.74 H new ATOM 0 HD12 LEU A 20 1.636 6.199 5.444 1.00 0.74 H new ATOM 0 HD13 LEU A 20 2.050 7.383 4.181 1.00 0.74 H new ATOM 0 HD21 LEU A 20 -0.117 6.604 2.208 1.00 0.76 H new ATOM 0 HD22 LEU A 20 1.590 6.904 1.806 1.00 0.76 H new ATOM 0 HD23 LEU A 20 0.817 5.376 1.322 1.00 0.76 H new ATOM 311 N ALA A 21 2.393 2.108 4.671 1.00 0.66 N ATOM 312 CA ALA A 21 1.585 0.990 5.228 1.00 0.69 C ATOM 313 C ALA A 21 2.067 0.723 6.652 1.00 0.69 C ATOM 314 O ALA A 21 1.302 0.290 7.501 1.00 0.87 O ATOM 315 CB ALA A 21 1.766 -0.280 4.388 1.00 0.83 C ATOM 0 H ALA A 21 2.947 1.881 3.846 1.00 0.66 H new ATOM 0 HA ALA A 21 0.529 1.262 5.217 1.00 0.69 H new ATOM 0 HB1 ALA A 21 1.167 -1.085 4.812 1.00 0.83 H new ATOM 0 HB2 ALA A 21 1.444 -0.088 3.365 1.00 0.83 H new ATOM 0 HB3 ALA A 21 2.817 -0.570 4.389 1.00 0.83 H new ATOM 321 N GLU A 22 3.336 0.951 6.884 1.00 0.76 N ATOM 322 CA GLU A 22 3.856 0.727 8.249 1.00 0.91 C ATOM 323 C GLU A 22 3.162 1.698 9.196 1.00 0.88 C ATOM 324 O GLU A 22 2.545 1.303 10.168 1.00 0.93 O ATOM 325 CB GLU A 22 5.355 1.001 8.267 1.00 1.20 C ATOM 326 CG GLU A 22 5.933 0.590 9.616 1.00 1.69 C ATOM 327 CD GLU A 22 6.255 -0.903 9.610 1.00 2.04 C ATOM 328 OE1 GLU A 22 5.314 -1.673 9.547 1.00 3.36 O ATOM 329 OE2 GLU A 22 7.438 -1.194 9.594 1.00 2.11 O ATOM 0 H GLU A 22 4.016 1.276 6.196 1.00 0.76 H new ATOM 0 HA GLU A 22 3.669 -0.302 8.557 1.00 0.91 H new ATOM 0 HB2 GLU A 22 5.846 0.448 7.466 1.00 1.20 H new ATOM 0 HB3 GLU A 22 5.544 2.059 8.086 1.00 1.20 H new ATOM 0 HG2 GLU A 22 6.835 1.165 9.825 1.00 1.69 H new ATOM 0 HG3 GLU A 22 5.221 0.814 10.410 1.00 1.69 H new ATOM 336 N LYS A 23 3.278 2.961 8.897 1.00 0.93 N ATOM 337 CA LYS A 23 2.627 3.953 9.777 1.00 1.08 C ATOM 338 C LYS A 23 1.147 3.594 9.885 1.00 0.95 C ATOM 339 O LYS A 23 0.658 3.467 10.975 1.00 1.21 O ATOM 340 CB LYS A 23 2.816 5.364 9.204 1.00 1.22 C ATOM 341 CG LYS A 23 2.545 6.416 10.301 1.00 1.61 C ATOM 342 CD LYS A 23 3.701 6.463 11.321 1.00 2.62 C ATOM 343 CE LYS A 23 3.318 5.768 12.644 1.00 4.18 C ATOM 344 NZ LYS A 23 2.213 6.479 13.356 1.00 4.61 N ATOM 0 H LYS A 23 3.786 3.338 8.097 1.00 0.93 H new ATOM 0 HA LYS A 23 3.075 3.939 10.770 1.00 1.08 H new ATOM 0 HB2 LYS A 23 3.830 5.478 8.821 1.00 1.22 H new ATOM 0 HB3 LYS A 23 2.139 5.519 8.364 1.00 1.22 H new ATOM 0 HG2 LYS A 23 2.418 7.398 9.845 1.00 1.61 H new ATOM 0 HG3 LYS A 23 1.613 6.180 10.814 1.00 1.61 H new ATOM 0 HD2 LYS A 23 4.581 5.980 10.897 1.00 2.62 H new ATOM 0 HD3 LYS A 23 3.971 7.500 11.519 1.00 2.62 H new ATOM 0 HE2 LYS A 23 3.014 4.742 12.438 1.00 4.18 H new ATOM 0 HE3 LYS A 23 4.193 5.718 13.293 1.00 4.18 H new ATOM 0 HZ1 LYS A 23 1.567 5.782 13.778 1.00 4.61 H new ATOM 0 HZ2 LYS A 23 2.613 7.079 14.105 1.00 4.61 H new ATOM 0 HZ3 LYS A 23 1.689 7.071 12.680 1.00 4.61 H new ATOM 358 N LEU A 24 0.472 3.412 8.769 1.00 0.73 N ATOM 359 CA LEU A 24 -0.975 3.038 8.864 1.00 0.82 C ATOM 360 C LEU A 24 -1.144 1.901 9.884 1.00 0.71 C ATOM 361 O LEU A 24 -1.973 2.014 10.774 1.00 0.87 O ATOM 362 CB LEU A 24 -1.521 2.638 7.487 1.00 0.83 C ATOM 363 CG LEU A 24 -1.549 3.873 6.565 1.00 1.04 C ATOM 364 CD1 LEU A 24 -2.124 3.477 5.203 1.00 1.13 C ATOM 365 CD2 LEU A 24 -2.434 4.977 7.173 1.00 1.26 C ATOM 0 H LEU A 24 0.848 3.503 7.825 1.00 0.73 H new ATOM 0 HA LEU A 24 -1.549 3.899 9.205 1.00 0.82 H new ATOM 0 HB2 LEU A 24 -0.897 1.859 7.049 1.00 0.83 H new ATOM 0 HB3 LEU A 24 -2.524 2.224 7.588 1.00 0.83 H new ATOM 0 HG LEU A 24 -0.532 4.247 6.453 1.00 1.04 H new ATOM 0 HD11 LEU A 24 -2.145 4.349 4.549 1.00 1.13 H new ATOM 0 HD12 LEU A 24 -1.500 2.703 4.756 1.00 1.13 H new ATOM 0 HD13 LEU A 24 -3.137 3.097 5.333 1.00 1.13 H new ATOM 0 HD21 LEU A 24 -2.443 5.842 6.510 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -3.450 4.603 7.295 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -2.036 5.269 8.145 1.00 1.26 H new ATOM 377 N SER A 25 -0.413 0.822 9.713 1.00 0.56 N ATOM 378 CA SER A 25 -0.513 -0.285 10.723 1.00 0.56 C ATOM 379 C SER A 25 -0.319 0.308 12.124 1.00 0.78 C ATOM 380 O SER A 25 -1.046 0.005 13.041 1.00 1.17 O ATOM 381 CB SER A 25 0.579 -1.323 10.462 1.00 0.73 C ATOM 382 OG SER A 25 0.320 -1.765 9.142 1.00 1.32 O ATOM 0 H SER A 25 0.232 0.661 8.940 1.00 0.56 H new ATOM 0 HA SER A 25 -1.489 -0.764 10.647 1.00 0.56 H new ATOM 0 HB2 SER A 25 1.574 -0.887 10.549 1.00 0.73 H new ATOM 0 HB3 SER A 25 0.528 -2.145 11.176 1.00 0.73 H new ATOM 0 HG SER A 25 0.748 -1.157 8.504 1.00 1.32 H new ATOM 388 N ASN A 26 0.648 1.174 12.223 1.00 0.83 N ATOM 389 CA ASN A 26 0.967 1.850 13.520 1.00 1.16 C ATOM 390 C ASN A 26 0.245 3.207 13.568 1.00 1.40 C ATOM 391 O ASN A 26 0.806 4.223 13.947 1.00 2.41 O ATOM 392 CB ASN A 26 2.486 2.039 13.536 1.00 1.26 C ATOM 393 CG ASN A 26 2.971 2.883 14.722 1.00 2.44 C ATOM 394 OD1 ASN A 26 2.212 3.054 15.752 1.00 3.64 O flip ATOM 395 ND2 ASN A 26 4.064 3.408 14.706 1.00 3.69 N flip ATOM 0 H ASN A 26 1.247 1.451 11.445 1.00 0.83 H new ATOM 0 HA ASN A 26 0.643 1.270 14.384 1.00 1.16 H new ATOM 0 HB2 ASN A 26 2.968 1.062 13.571 1.00 1.26 H new ATOM 0 HB3 ASN A 26 2.797 2.515 12.606 1.00 1.26 H new ATOM 0 HD21 ASN A 26 4.678 3.284 13.901 1.00 3.69 H new ATOM 0 HD22 ASN A 26 4.370 3.973 15.498 1.00 3.69 H new ATOM 402 N GLU A 27 -0.976 3.192 13.136 1.00 1.32 N ATOM 403 CA GLU A 27 -1.790 4.446 13.123 1.00 1.60 C ATOM 404 C GLU A 27 -3.263 4.216 13.426 1.00 1.58 C ATOM 405 O GLU A 27 -3.808 4.789 14.343 1.00 1.83 O ATOM 406 CB GLU A 27 -1.754 5.045 11.727 1.00 2.06 C ATOM 407 CG GLU A 27 -0.536 5.934 11.514 1.00 2.24 C ATOM 408 CD GLU A 27 -0.792 7.338 12.050 1.00 2.38 C ATOM 409 OE1 GLU A 27 -1.777 7.918 11.602 1.00 3.18 O ATOM 410 OE2 GLU A 27 0.031 7.759 12.852 1.00 2.87 O ATOM 0 H GLU A 27 -1.456 2.363 12.787 1.00 1.32 H new ATOM 0 HA GLU A 27 -1.358 5.089 13.890 1.00 1.60 H new ATOM 0 HB2 GLU A 27 -1.750 4.243 10.989 1.00 2.06 H new ATOM 0 HB3 GLU A 27 -2.660 5.627 11.560 1.00 2.06 H new ATOM 0 HG2 GLU A 27 0.329 5.500 12.016 1.00 2.24 H new ATOM 0 HG3 GLU A 27 -0.297 5.983 10.452 1.00 2.24 H new ATOM 417 N ARG A 28 -3.872 3.398 12.604 1.00 1.55 N ATOM 418 CA ARG A 28 -5.334 3.162 12.758 1.00 1.62 C ATOM 419 C ARG A 28 -5.642 1.837 13.458 1.00 1.59 C ATOM 420 O ARG A 28 -4.814 1.305 14.176 1.00 1.85 O ATOM 421 CB ARG A 28 -5.982 3.221 11.356 1.00 1.78 C ATOM 422 CG ARG A 28 -5.353 4.351 10.505 1.00 1.66 C ATOM 423 CD ARG A 28 -5.394 5.699 11.254 1.00 1.95 C ATOM 424 NE ARG A 28 -4.520 6.682 10.538 1.00 3.18 N ATOM 425 CZ ARG A 28 -4.970 7.855 10.206 1.00 4.02 C ATOM 426 NH1 ARG A 28 -6.127 7.935 9.626 1.00 4.19 N ATOM 427 NH2 ARG A 28 -4.230 8.886 10.465 1.00 5.42 N ATOM 0 H ARG A 28 -3.423 2.890 11.842 1.00 1.55 H new ATOM 0 HA ARG A 28 -5.753 3.938 13.399 1.00 1.62 H new ATOM 0 HB2 ARG A 28 -5.852 2.264 10.850 1.00 1.78 H new ATOM 0 HB3 ARG A 28 -7.055 3.387 11.453 1.00 1.78 H new ATOM 0 HG2 ARG A 28 -4.321 4.097 10.263 1.00 1.66 H new ATOM 0 HG3 ARG A 28 -5.889 4.440 9.560 1.00 1.66 H new ATOM 0 HD2 ARG A 28 -6.417 6.071 11.303 1.00 1.95 H new ATOM 0 HD3 ARG A 28 -5.052 5.570 12.281 1.00 1.95 H new ATOM 0 HE ARG A 28 -3.559 6.428 10.308 1.00 3.18 H new ATOM 0 HH11 ARG A 28 -6.664 7.088 9.439 1.00 4.19 H new ATOM 0 HH12 ARG A 28 -6.500 8.845 9.356 1.00 4.19 H new ATOM 0 HH21 ARG A 28 -3.324 8.763 10.917 1.00 5.42 H new ATOM 0 HH22 ARG A 28 -4.554 9.821 10.217 1.00 5.42 H new ATOM 441 N ASP A 29 -6.842 1.351 13.232 1.00 2.08 N ATOM 442 CA ASP A 29 -7.288 0.085 13.895 1.00 2.21 C ATOM 443 C ASP A 29 -7.248 -1.141 12.963 1.00 1.66 C ATOM 444 O ASP A 29 -6.312 -1.914 13.029 1.00 1.76 O ATOM 445 CB ASP A 29 -8.722 0.318 14.401 1.00 2.92 C ATOM 446 CG ASP A 29 -9.200 -0.817 15.322 1.00 3.73 C ATOM 447 OD1 ASP A 29 -8.372 -1.630 15.699 1.00 4.18 O ATOM 448 OD2 ASP A 29 -10.376 -0.776 15.638 1.00 4.90 O ATOM 0 H ASP A 29 -7.532 1.779 12.615 1.00 2.08 H new ATOM 0 HA ASP A 29 -6.600 -0.143 14.709 1.00 2.21 H new ATOM 0 HB2 ASP A 29 -8.767 1.265 14.939 1.00 2.92 H new ATOM 0 HB3 ASP A 29 -9.397 0.403 13.550 1.00 2.92 H new ATOM 453 N ASP A 30 -8.189 -1.269 12.053 1.00 1.71 N ATOM 454 CA ASP A 30 -8.177 -2.483 11.173 1.00 1.42 C ATOM 455 C ASP A 30 -7.252 -2.316 9.956 1.00 1.27 C ATOM 456 O ASP A 30 -7.638 -2.565 8.820 1.00 1.86 O ATOM 457 CB ASP A 30 -9.620 -2.783 10.715 1.00 1.99 C ATOM 458 CG ASP A 30 -10.113 -1.721 9.723 1.00 2.48 C ATOM 459 OD1 ASP A 30 -10.228 -0.586 10.161 1.00 3.25 O ATOM 460 OD2 ASP A 30 -10.337 -2.108 8.577 1.00 3.42 O ATOM 0 H ASP A 30 -8.945 -0.605 11.885 1.00 1.71 H new ATOM 0 HA ASP A 30 -7.783 -3.318 11.752 1.00 1.42 H new ATOM 0 HB2 ASP A 30 -9.660 -3.768 10.249 1.00 1.99 H new ATOM 0 HB3 ASP A 30 -10.282 -2.812 11.581 1.00 1.99 H new ATOM 465 N PHE A 31 -6.020 -1.966 10.218 1.00 1.01 N ATOM 466 CA PHE A 31 -5.063 -1.800 9.091 1.00 0.87 C ATOM 467 C PHE A 31 -3.918 -2.800 9.231 1.00 0.91 C ATOM 468 O PHE A 31 -3.436 -3.052 10.312 1.00 1.62 O ATOM 469 CB PHE A 31 -4.481 -0.381 9.073 1.00 0.86 C ATOM 470 CG PHE A 31 -3.611 -0.239 7.813 1.00 0.83 C ATOM 471 CD1 PHE A 31 -2.308 -0.706 7.809 1.00 0.99 C ATOM 472 CD2 PHE A 31 -4.125 0.308 6.654 1.00 0.79 C ATOM 473 CE1 PHE A 31 -1.534 -0.622 6.677 1.00 1.07 C ATOM 474 CE2 PHE A 31 -3.347 0.389 5.518 1.00 0.92 C ATOM 475 CZ PHE A 31 -2.050 -0.073 5.532 1.00 1.04 C ATOM 0 H PHE A 31 -5.642 -1.791 11.149 1.00 1.01 H new ATOM 0 HA PHE A 31 -5.603 -1.976 8.161 1.00 0.87 H new ATOM 0 HB2 PHE A 31 -5.281 0.359 9.069 1.00 0.86 H new ATOM 0 HB3 PHE A 31 -3.886 -0.202 9.969 1.00 0.86 H new ATOM 0 HD1 PHE A 31 -1.895 -1.142 8.707 1.00 0.99 H new ATOM 0 HD2 PHE A 31 -5.141 0.674 6.637 1.00 0.79 H new ATOM 0 HE1 PHE A 31 -0.518 -0.989 6.689 1.00 1.07 H new ATOM 0 HE2 PHE A 31 -3.756 0.816 4.615 1.00 0.92 H new ATOM 0 HZ PHE A 31 -1.441 -0.003 4.643 1.00 1.04 H new ATOM 485 N GLN A 32 -3.519 -3.346 8.119 1.00 0.71 N ATOM 486 CA GLN A 32 -2.395 -4.334 8.087 1.00 0.81 C ATOM 487 C GLN A 32 -1.839 -4.295 6.673 1.00 0.82 C ATOM 488 O GLN A 32 -2.350 -3.559 5.855 1.00 1.34 O ATOM 489 CB GLN A 32 -2.892 -5.764 8.358 1.00 0.99 C ATOM 490 CG GLN A 32 -3.788 -5.818 9.598 1.00 1.05 C ATOM 491 CD GLN A 32 -4.146 -7.278 9.849 1.00 1.94 C ATOM 492 OE1 GLN A 32 -3.308 -8.069 10.212 1.00 3.09 O ATOM 493 NE2 GLN A 32 -5.356 -7.694 9.628 1.00 2.96 N ATOM 0 H GLN A 32 -3.931 -3.147 7.207 1.00 0.71 H new ATOM 0 HA GLN A 32 -1.658 -4.080 8.849 1.00 0.81 H new ATOM 0 HB2 GLN A 32 -3.444 -6.129 7.492 1.00 0.99 H new ATOM 0 HB3 GLN A 32 -2.038 -6.428 8.495 1.00 0.99 H new ATOM 0 HG2 GLN A 32 -3.272 -5.397 10.461 1.00 1.05 H new ATOM 0 HG3 GLN A 32 -4.689 -5.224 9.445 1.00 1.05 H new ATOM 0 HE21 GLN A 32 -6.073 -7.037 9.321 1.00 2.96 H new ATOM 0 HE22 GLN A 32 -5.589 -8.678 9.761 1.00 2.96 H new ATOM 502 N TYR A 33 -0.841 -5.070 6.377 1.00 0.76 N ATOM 503 CA TYR A 33 -0.323 -5.043 4.982 1.00 0.76 C ATOM 504 C TYR A 33 0.697 -6.144 4.749 1.00 0.78 C ATOM 505 O TYR A 33 1.286 -6.660 5.674 1.00 0.82 O ATOM 506 CB TYR A 33 0.337 -3.687 4.678 1.00 0.76 C ATOM 507 CG TYR A 33 1.659 -3.564 5.437 1.00 0.70 C ATOM 508 CD1 TYR A 33 1.676 -3.324 6.798 1.00 0.72 C ATOM 509 CD2 TYR A 33 2.854 -3.736 4.768 1.00 0.85 C ATOM 510 CE1 TYR A 33 2.872 -3.261 7.478 1.00 0.85 C ATOM 511 CE2 TYR A 33 4.048 -3.672 5.449 1.00 0.96 C ATOM 512 CZ TYR A 33 4.067 -3.438 6.807 1.00 0.95 C ATOM 513 OH TYR A 33 5.264 -3.416 7.492 1.00 1.19 O ATOM 0 H TYR A 33 -0.369 -5.707 7.019 1.00 0.76 H new ATOM 0 HA TYR A 33 -1.174 -5.199 4.319 1.00 0.76 H new ATOM 0 HB2 TYR A 33 0.514 -3.592 3.607 1.00 0.76 H new ATOM 0 HB3 TYR A 33 -0.332 -2.876 4.964 1.00 0.76 H new ATOM 0 HD1 TYR A 33 0.747 -3.185 7.331 1.00 0.72 H new ATOM 0 HD2 TYR A 33 2.852 -3.922 3.704 1.00 0.85 H new ATOM 0 HE1 TYR A 33 2.876 -3.072 8.541 1.00 0.85 H new ATOM 0 HE2 TYR A 33 4.977 -3.806 4.915 1.00 0.96 H new ATOM 0 HH TYR A 33 5.184 -2.828 8.272 1.00 1.19 H new ATOM 523 N GLN A 34 0.868 -6.451 3.502 1.00 0.78 N ATOM 524 CA GLN A 34 1.846 -7.486 3.085 1.00 0.80 C ATOM 525 C GLN A 34 2.647 -6.894 1.922 1.00 0.73 C ATOM 526 O GLN A 34 2.130 -6.074 1.171 1.00 0.71 O ATOM 527 CB GLN A 34 1.077 -8.749 2.651 1.00 0.88 C ATOM 528 CG GLN A 34 2.039 -9.876 2.225 1.00 1.32 C ATOM 529 CD GLN A 34 3.040 -10.168 3.344 1.00 2.53 C ATOM 530 OE1 GLN A 34 4.019 -9.470 3.498 1.00 3.57 O ATOM 531 NE2 GLN A 34 2.839 -11.171 4.145 1.00 3.54 N ATOM 0 H GLN A 34 0.358 -6.017 2.732 1.00 0.78 H new ATOM 0 HA GLN A 34 2.521 -7.767 3.893 1.00 0.80 H new ATOM 0 HB2 GLN A 34 0.450 -9.095 3.473 1.00 0.88 H new ATOM 0 HB3 GLN A 34 0.411 -8.505 1.823 1.00 0.88 H new ATOM 0 HG2 GLN A 34 1.473 -10.777 1.989 1.00 1.32 H new ATOM 0 HG3 GLN A 34 2.570 -9.587 1.318 1.00 1.32 H new ATOM 0 HE21 GLN A 34 2.018 -11.764 4.024 1.00 3.54 H new ATOM 0 HE22 GLN A 34 3.502 -11.365 4.895 1.00 3.54 H new ATOM 540 N TYR A 35 3.868 -7.314 1.759 1.00 0.75 N ATOM 541 CA TYR A 35 4.648 -6.733 0.637 1.00 0.69 C ATOM 542 C TYR A 35 4.723 -7.731 -0.504 1.00 0.60 C ATOM 543 O TYR A 35 4.796 -8.927 -0.289 1.00 0.69 O ATOM 544 CB TYR A 35 6.063 -6.371 1.108 1.00 0.77 C ATOM 545 CG TYR A 35 6.719 -5.465 0.054 1.00 0.66 C ATOM 546 CD1 TYR A 35 7.316 -6.005 -1.065 1.00 0.77 C ATOM 547 CD2 TYR A 35 6.687 -4.092 0.186 1.00 0.88 C ATOM 548 CE1 TYR A 35 7.870 -5.190 -2.031 1.00 0.86 C ATOM 549 CE2 TYR A 35 7.242 -3.279 -0.784 1.00 0.97 C ATOM 550 CZ TYR A 35 7.842 -3.823 -1.895 1.00 0.86 C ATOM 551 OH TYR A 35 8.462 -3.012 -2.820 1.00 1.09 O ATOM 0 H TYR A 35 4.346 -8.010 2.332 1.00 0.75 H new ATOM 0 HA TYR A 35 4.151 -5.827 0.291 1.00 0.69 H new ATOM 0 HB2 TYR A 35 6.022 -5.861 2.071 1.00 0.77 H new ATOM 0 HB3 TYR A 35 6.656 -7.274 1.251 1.00 0.77 H new ATOM 0 HD1 TYR A 35 7.351 -7.078 -1.187 1.00 0.77 H new ATOM 0 HD2 TYR A 35 6.224 -3.649 1.055 1.00 0.88 H new ATOM 0 HE1 TYR A 35 8.330 -5.631 -2.903 1.00 0.86 H new ATOM 0 HE2 TYR A 35 7.204 -2.206 -0.668 1.00 0.97 H new ATOM 0 HH TYR A 35 9.396 -2.872 -2.558 1.00 1.09 H new ATOM 561 N VAL A 36 4.701 -7.195 -1.692 1.00 0.52 N ATOM 562 CA VAL A 36 4.771 -8.026 -2.906 1.00 0.46 C ATOM 563 C VAL A 36 5.813 -7.424 -3.863 1.00 0.46 C ATOM 564 O VAL A 36 5.997 -6.217 -3.916 1.00 0.57 O ATOM 565 CB VAL A 36 3.357 -8.050 -3.521 1.00 0.43 C ATOM 566 CG1 VAL A 36 3.429 -8.265 -5.037 1.00 0.42 C ATOM 567 CG2 VAL A 36 2.568 -9.216 -2.908 1.00 0.48 C ATOM 0 H VAL A 36 4.636 -6.192 -1.867 1.00 0.52 H new ATOM 0 HA VAL A 36 5.083 -9.048 -2.692 1.00 0.46 H new ATOM 0 HB VAL A 36 2.871 -7.096 -3.315 1.00 0.43 H new ATOM 0 HG11 VAL A 36 2.421 -8.279 -5.451 1.00 0.42 H new ATOM 0 HG12 VAL A 36 3.997 -7.454 -5.493 1.00 0.42 H new ATOM 0 HG13 VAL A 36 3.920 -9.215 -5.247 1.00 0.42 H new ATOM 0 HG21 VAL A 36 1.566 -9.242 -3.336 1.00 0.48 H new ATOM 0 HG22 VAL A 36 3.079 -10.154 -3.123 1.00 0.48 H new ATOM 0 HG23 VAL A 36 2.498 -9.080 -1.829 1.00 0.48 H new ATOM 577 N ASP A 37 6.442 -8.288 -4.603 1.00 0.50 N ATOM 578 CA ASP A 37 7.480 -7.861 -5.578 1.00 0.60 C ATOM 579 C ASP A 37 7.022 -8.305 -6.965 1.00 0.70 C ATOM 580 O ASP A 37 6.943 -9.495 -7.251 1.00 1.00 O ATOM 581 CB ASP A 37 8.806 -8.528 -5.181 1.00 0.73 C ATOM 582 CG ASP A 37 9.770 -8.644 -6.362 1.00 1.17 C ATOM 583 OD1 ASP A 37 9.795 -7.730 -7.177 1.00 1.84 O ATOM 584 OD2 ASP A 37 10.461 -9.648 -6.373 1.00 2.21 O ATOM 0 H ASP A 37 6.277 -9.294 -4.573 1.00 0.50 H new ATOM 0 HA ASP A 37 7.624 -6.781 -5.584 1.00 0.60 H new ATOM 0 HB2 ASP A 37 9.277 -7.951 -4.385 1.00 0.73 H new ATOM 0 HB3 ASP A 37 8.605 -9.521 -4.779 1.00 0.73 H new ATOM 589 N ILE A 38 6.729 -7.336 -7.791 1.00 0.80 N ATOM 590 CA ILE A 38 6.251 -7.642 -9.158 1.00 1.01 C ATOM 591 C ILE A 38 7.097 -8.743 -9.784 1.00 1.14 C ATOM 592 O ILE A 38 6.599 -9.514 -10.561 1.00 1.35 O ATOM 593 CB ILE A 38 6.285 -6.372 -10.016 1.00 1.15 C ATOM 594 CG1 ILE A 38 7.723 -5.865 -10.161 1.00 1.21 C ATOM 595 CG2 ILE A 38 5.401 -5.302 -9.354 1.00 1.16 C ATOM 596 CD1 ILE A 38 7.777 -4.873 -11.328 1.00 1.44 C ATOM 0 H ILE A 38 6.803 -6.343 -7.571 1.00 0.80 H new ATOM 0 HA ILE A 38 5.222 -7.999 -9.104 1.00 1.01 H new ATOM 0 HB ILE A 38 5.904 -6.593 -11.013 1.00 1.15 H new ATOM 0 HG12 ILE A 38 8.049 -5.383 -9.239 1.00 1.21 H new ATOM 0 HG13 ILE A 38 8.402 -6.699 -10.342 1.00 1.21 H new ATOM 0 HG21 ILE A 38 5.417 -4.393 -9.956 1.00 1.16 H new ATOM 0 HG22 ILE A 38 4.378 -5.670 -9.280 1.00 1.16 H new ATOM 0 HG23 ILE A 38 5.781 -5.083 -8.356 1.00 1.16 H new ATOM 0 HD11 ILE A 38 8.796 -4.503 -11.444 1.00 1.44 H new ATOM 0 HD12 ILE A 38 7.466 -5.373 -12.245 1.00 1.44 H new ATOM 0 HD13 ILE A 38 7.108 -4.037 -11.126 1.00 1.44 H new ATOM 608 N ARG A 39 8.357 -8.813 -9.423 1.00 1.12 N ATOM 609 CA ARG A 39 9.225 -9.879 -10.013 1.00 1.31 C ATOM 610 C ARG A 39 8.827 -11.236 -9.430 1.00 1.52 C ATOM 611 O ARG A 39 8.471 -12.126 -10.171 1.00 2.36 O ATOM 612 CB ARG A 39 10.704 -9.592 -9.701 1.00 1.22 C ATOM 613 CG ARG A 39 11.588 -10.621 -10.425 1.00 2.17 C ATOM 614 CD ARG A 39 13.070 -10.389 -10.084 1.00 2.54 C ATOM 615 NE ARG A 39 13.332 -10.780 -8.661 1.00 2.97 N ATOM 616 CZ ARG A 39 13.857 -9.925 -7.838 1.00 3.69 C ATOM 617 NH1 ARG A 39 15.151 -9.818 -7.793 1.00 4.78 N ATOM 618 NH2 ARG A 39 13.057 -9.233 -7.097 1.00 4.30 N ATOM 0 H ARG A 39 8.814 -8.190 -8.758 1.00 1.12 H new ATOM 0 HA ARG A 39 9.091 -9.892 -11.095 1.00 1.31 H new ATOM 0 HB2 ARG A 39 10.965 -8.583 -10.020 1.00 1.22 H new ATOM 0 HB3 ARG A 39 10.876 -9.641 -8.626 1.00 1.22 H new ATOM 0 HG2 ARG A 39 11.295 -11.630 -10.135 1.00 2.17 H new ATOM 0 HG3 ARG A 39 11.440 -10.544 -11.502 1.00 2.17 H new ATOM 0 HD2 ARG A 39 13.702 -10.973 -10.753 1.00 2.54 H new ATOM 0 HD3 ARG A 39 13.328 -9.341 -10.236 1.00 2.54 H new ATOM 0 HE ARG A 39 13.097 -11.719 -8.339 1.00 2.97 H new ATOM 0 HH11 ARG A 39 15.732 -10.399 -8.397 1.00 4.78 H new ATOM 0 HH12 ARG A 39 15.586 -9.153 -7.154 1.00 4.78 H new ATOM 0 HH21 ARG A 39 12.049 -9.368 -7.171 1.00 4.30 H new ATOM 0 HH22 ARG A 39 13.434 -8.551 -6.438 1.00 4.30 H new ATOM 632 N ALA A 40 8.937 -11.375 -8.126 1.00 1.09 N ATOM 633 CA ALA A 40 8.543 -12.663 -7.463 1.00 1.31 C ATOM 634 C ALA A 40 7.272 -13.228 -8.116 1.00 1.52 C ATOM 635 O ALA A 40 7.168 -14.426 -8.344 1.00 1.75 O ATOM 636 CB ALA A 40 8.284 -12.409 -5.975 1.00 1.31 C ATOM 0 H ALA A 40 9.282 -10.653 -7.494 1.00 1.09 H new ATOM 0 HA ALA A 40 9.351 -13.385 -7.579 1.00 1.31 H new ATOM 0 HB1 ALA A 40 7.998 -13.343 -5.491 1.00 1.31 H new ATOM 0 HB2 ALA A 40 9.190 -12.022 -5.509 1.00 1.31 H new ATOM 0 HB3 ALA A 40 7.480 -11.682 -5.865 1.00 1.31 H new ATOM 642 N GLU A 41 6.329 -12.340 -8.364 1.00 1.47 N ATOM 643 CA GLU A 41 5.048 -12.772 -9.019 1.00 1.75 C ATOM 644 C GLU A 41 5.304 -13.038 -10.518 1.00 1.82 C ATOM 645 O GLU A 41 4.908 -14.060 -11.042 1.00 1.99 O ATOM 646 CB GLU A 41 3.959 -11.680 -8.846 1.00 1.83 C ATOM 647 CG GLU A 41 3.482 -11.620 -7.375 1.00 1.87 C ATOM 648 CD GLU A 41 2.315 -10.614 -7.177 1.00 2.83 C ATOM 649 OE1 GLU A 41 1.900 -10.013 -8.164 1.00 4.46 O ATOM 650 OE2 GLU A 41 1.890 -10.502 -6.033 1.00 2.71 O ATOM 0 H GLU A 41 6.391 -11.346 -8.143 1.00 1.47 H new ATOM 0 HA GLU A 41 4.694 -13.688 -8.546 1.00 1.75 H new ATOM 0 HB2 GLU A 41 4.357 -10.710 -9.146 1.00 1.83 H new ATOM 0 HB3 GLU A 41 3.114 -11.894 -9.500 1.00 1.83 H new ATOM 0 HG2 GLU A 41 3.162 -12.612 -7.058 1.00 1.87 H new ATOM 0 HG3 GLU A 41 4.317 -11.335 -6.735 1.00 1.87 H new ATOM 657 N GLY A 42 5.961 -12.114 -11.177 1.00 1.81 N ATOM 658 CA GLY A 42 6.268 -12.294 -12.637 1.00 1.92 C ATOM 659 C GLY A 42 5.550 -11.246 -13.487 1.00 2.09 C ATOM 660 O GLY A 42 5.075 -11.535 -14.568 1.00 2.47 O ATOM 0 H GLY A 42 6.299 -11.242 -10.770 1.00 1.81 H new ATOM 0 HA2 GLY A 42 7.344 -12.220 -12.797 1.00 1.92 H new ATOM 0 HA3 GLY A 42 5.966 -13.292 -12.954 1.00 1.92 H new ATOM 664 N ILE A 43 5.543 -10.040 -13.007 1.00 1.88 N ATOM 665 CA ILE A 43 4.860 -8.940 -13.737 1.00 2.10 C ATOM 666 C ILE A 43 5.906 -8.055 -14.434 1.00 2.11 C ATOM 667 O ILE A 43 7.088 -8.114 -14.122 1.00 1.88 O ATOM 668 CB ILE A 43 4.044 -8.145 -12.700 1.00 1.99 C ATOM 669 CG1 ILE A 43 3.104 -9.112 -11.958 1.00 2.10 C ATOM 670 CG2 ILE A 43 3.219 -7.063 -13.400 1.00 2.29 C ATOM 671 CD1 ILE A 43 2.359 -8.383 -10.834 1.00 2.15 C ATOM 0 H ILE A 43 5.986 -9.764 -12.130 1.00 1.88 H new ATOM 0 HA ILE A 43 4.195 -9.323 -14.511 1.00 2.10 H new ATOM 0 HB ILE A 43 4.721 -7.668 -11.992 1.00 1.99 H new ATOM 0 HG12 ILE A 43 2.387 -9.541 -12.659 1.00 2.10 H new ATOM 0 HG13 ILE A 43 3.679 -9.940 -11.543 1.00 2.10 H new ATOM 0 HG21 ILE A 43 2.646 -6.506 -12.659 1.00 2.29 H new ATOM 0 HG22 ILE A 43 3.886 -6.382 -13.929 1.00 2.29 H new ATOM 0 HG23 ILE A 43 2.537 -7.529 -14.111 1.00 2.29 H new ATOM 0 HD11 ILE A 43 1.699 -9.083 -10.321 1.00 2.15 H new ATOM 0 HD12 ILE A 43 3.079 -7.976 -10.124 1.00 2.15 H new ATOM 0 HD13 ILE A 43 1.768 -7.571 -11.257 1.00 2.15 H new ATOM 683 N THR A 44 5.441 -7.248 -15.358 1.00 2.50 N ATOM 684 CA THR A 44 6.358 -6.348 -16.122 1.00 2.68 C ATOM 685 C THR A 44 6.121 -4.850 -15.818 1.00 3.03 C ATOM 686 O THR A 44 6.500 -4.356 -14.773 1.00 3.96 O ATOM 687 CB THR A 44 6.121 -6.632 -17.614 1.00 3.01 C ATOM 688 OG1 THR A 44 4.714 -6.476 -17.795 1.00 3.27 O ATOM 689 CG2 THR A 44 6.399 -8.098 -17.946 1.00 2.88 C ATOM 0 H THR A 44 4.457 -7.175 -15.616 1.00 2.50 H new ATOM 0 HA THR A 44 7.388 -6.551 -15.828 1.00 2.68 H new ATOM 0 HB THR A 44 6.753 -5.986 -18.223 1.00 3.01 H new ATOM 0 HG1 THR A 44 4.408 -7.074 -18.508 1.00 3.27 H new ATOM 0 HG21 THR A 44 6.223 -8.270 -19.008 1.00 2.88 H new ATOM 0 HG22 THR A 44 7.436 -8.335 -17.707 1.00 2.88 H new ATOM 0 HG23 THR A 44 5.737 -8.736 -17.361 1.00 2.88 H new ATOM 697 N LYS A 45 5.495 -4.172 -16.750 1.00 2.70 N ATOM 698 CA LYS A 45 5.210 -2.705 -16.612 1.00 3.02 C ATOM 699 C LYS A 45 3.831 -2.387 -17.219 1.00 3.36 C ATOM 700 O LYS A 45 3.171 -1.429 -16.858 1.00 3.84 O ATOM 701 CB LYS A 45 6.324 -1.951 -17.370 1.00 3.23 C ATOM 702 CG LYS A 45 6.098 -0.427 -17.346 1.00 3.89 C ATOM 703 CD LYS A 45 7.153 0.246 -18.246 1.00 4.58 C ATOM 704 CE LYS A 45 6.738 1.698 -18.527 1.00 5.57 C ATOM 705 NZ LYS A 45 7.247 2.622 -17.477 1.00 6.88 N ATOM 0 H LYS A 45 5.161 -4.583 -17.622 1.00 2.70 H new ATOM 0 HA LYS A 45 5.193 -2.402 -15.565 1.00 3.02 H new ATOM 0 HB2 LYS A 45 7.290 -2.183 -16.922 1.00 3.23 H new ATOM 0 HB3 LYS A 45 6.360 -2.297 -18.403 1.00 3.23 H new ATOM 0 HG2 LYS A 45 5.094 -0.189 -17.698 1.00 3.89 H new ATOM 0 HG3 LYS A 45 6.176 -0.050 -16.326 1.00 3.89 H new ATOM 0 HD2 LYS A 45 8.128 0.223 -17.760 1.00 4.58 H new ATOM 0 HD3 LYS A 45 7.251 -0.303 -19.183 1.00 4.58 H new ATOM 0 HE2 LYS A 45 7.120 2.005 -19.500 1.00 5.57 H new ATOM 0 HE3 LYS A 45 5.651 1.764 -18.576 1.00 5.57 H new ATOM 0 HZ1 LYS A 45 7.653 3.468 -17.926 1.00 6.88 H new ATOM 0 HZ2 LYS A 45 6.464 2.903 -16.853 1.00 6.88 H new ATOM 0 HZ3 LYS A 45 7.980 2.142 -16.918 1.00 6.88 H new ATOM 719 N GLU A 46 3.430 -3.213 -18.147 1.00 3.23 N ATOM 720 CA GLU A 46 2.116 -3.012 -18.822 1.00 3.63 C ATOM 721 C GLU A 46 1.037 -3.705 -17.989 1.00 3.35 C ATOM 722 O GLU A 46 0.058 -3.093 -17.616 1.00 3.42 O ATOM 723 CB GLU A 46 2.120 -3.628 -20.245 1.00 4.06 C ATOM 724 CG GLU A 46 3.522 -3.575 -20.892 1.00 4.00 C ATOM 725 CD GLU A 46 4.402 -4.679 -20.296 1.00 3.27 C ATOM 726 OE1 GLU A 46 4.022 -5.827 -20.440 1.00 2.91 O ATOM 727 OE2 GLU A 46 5.367 -4.314 -19.649 1.00 4.10 O ATOM 0 H GLU A 46 3.960 -4.023 -18.468 1.00 3.23 H new ATOM 0 HA GLU A 46 1.922 -1.943 -18.909 1.00 3.63 H new ATOM 0 HB2 GLU A 46 1.783 -4.663 -20.193 1.00 4.06 H new ATOM 0 HB3 GLU A 46 1.409 -3.092 -20.874 1.00 4.06 H new ATOM 0 HG2 GLU A 46 3.441 -3.703 -21.971 1.00 4.00 H new ATOM 0 HG3 GLU A 46 3.977 -2.600 -20.720 1.00 4.00 H new ATOM 734 N ASP A 47 1.242 -4.971 -17.700 1.00 3.12 N ATOM 735 CA ASP A 47 0.231 -5.720 -16.886 1.00 2.94 C ATOM 736 C ASP A 47 -0.189 -4.925 -15.649 1.00 2.58 C ATOM 737 O ASP A 47 -1.352 -4.621 -15.475 1.00 2.70 O ATOM 738 CB ASP A 47 0.823 -7.053 -16.420 1.00 2.79 C ATOM 739 CG ASP A 47 -0.141 -7.682 -15.403 1.00 2.93 C ATOM 740 OD1 ASP A 47 -1.193 -8.107 -15.843 1.00 3.50 O ATOM 741 OD2 ASP A 47 0.216 -7.658 -14.238 1.00 3.40 O ATOM 0 H ASP A 47 2.057 -5.512 -17.989 1.00 3.12 H new ATOM 0 HA ASP A 47 -0.641 -5.885 -17.518 1.00 2.94 H new ATOM 0 HB2 ASP A 47 0.968 -7.721 -17.269 1.00 2.79 H new ATOM 0 HB3 ASP A 47 1.802 -6.896 -15.968 1.00 2.79 H new ATOM 746 N LEU A 48 0.773 -4.663 -14.793 1.00 2.16 N ATOM 747 CA LEU A 48 0.487 -3.902 -13.535 1.00 1.93 C ATOM 748 C LEU A 48 -0.602 -2.848 -13.764 1.00 2.08 C ATOM 749 O LEU A 48 -1.536 -2.760 -12.992 1.00 2.04 O ATOM 750 CB LEU A 48 1.778 -3.239 -13.016 1.00 1.91 C ATOM 751 CG LEU A 48 2.067 -3.724 -11.578 1.00 1.94 C ATOM 752 CD1 LEU A 48 3.376 -3.095 -11.087 1.00 2.17 C ATOM 753 CD2 LEU A 48 0.927 -3.302 -10.630 1.00 2.13 C ATOM 0 H LEU A 48 1.746 -4.945 -14.913 1.00 2.16 H new ATOM 0 HA LEU A 48 0.121 -4.603 -12.785 1.00 1.93 H new ATOM 0 HB2 LEU A 48 2.614 -3.487 -13.669 1.00 1.91 H new ATOM 0 HB3 LEU A 48 1.673 -2.154 -13.031 1.00 1.91 H new ATOM 0 HG LEU A 48 2.146 -4.811 -11.583 1.00 1.94 H new ATOM 0 HD11 LEU A 48 3.584 -3.434 -10.072 1.00 2.17 H new ATOM 0 HD12 LEU A 48 4.192 -3.394 -11.744 1.00 2.17 H new ATOM 0 HD13 LEU A 48 3.283 -2.009 -11.095 1.00 2.17 H new ATOM 0 HD21 LEU A 48 1.145 -3.651 -9.621 1.00 2.13 H new ATOM 0 HD22 LEU A 48 0.839 -2.216 -10.627 1.00 2.13 H new ATOM 0 HD23 LEU A 48 -0.011 -3.741 -10.971 1.00 2.13 H new ATOM 765 N GLN A 49 -0.475 -2.093 -14.832 1.00 2.38 N ATOM 766 CA GLN A 49 -1.513 -1.052 -15.116 1.00 2.66 C ATOM 767 C GLN A 49 -2.895 -1.737 -15.155 1.00 2.53 C ATOM 768 O GLN A 49 -3.788 -1.369 -14.418 1.00 2.54 O ATOM 769 CB GLN A 49 -1.166 -0.339 -16.446 1.00 3.24 C ATOM 770 CG GLN A 49 0.179 0.405 -16.268 1.00 3.81 C ATOM 771 CD GLN A 49 0.604 1.136 -17.556 1.00 4.66 C ATOM 772 OE1 GLN A 49 -0.095 1.994 -18.061 1.00 5.19 O ATOM 773 NE2 GLN A 49 1.748 0.826 -18.106 1.00 5.61 N ATOM 0 H GLN A 49 0.288 -2.151 -15.507 1.00 2.38 H new ATOM 0 HA GLN A 49 -1.537 -0.290 -14.337 1.00 2.66 H new ATOM 0 HB2 GLN A 49 -1.093 -1.064 -17.257 1.00 3.24 H new ATOM 0 HB3 GLN A 49 -1.955 0.363 -16.716 1.00 3.24 H new ATOM 0 HG2 GLN A 49 0.091 1.125 -15.454 1.00 3.81 H new ATOM 0 HG3 GLN A 49 0.953 -0.307 -15.982 1.00 3.81 H new ATOM 0 HE21 GLN A 49 2.338 0.107 -17.686 1.00 5.61 H new ATOM 0 HE22 GLN A 49 2.051 1.303 -18.955 1.00 5.61 H new ATOM 782 N GLN A 50 -3.031 -2.750 -15.974 1.00 2.58 N ATOM 783 CA GLN A 50 -4.346 -3.487 -16.040 1.00 2.59 C ATOM 784 C GLN A 50 -4.675 -4.097 -14.666 1.00 2.16 C ATOM 785 O GLN A 50 -5.818 -4.195 -14.267 1.00 2.11 O ATOM 786 CB GLN A 50 -4.272 -4.639 -17.055 1.00 2.89 C ATOM 787 CG GLN A 50 -4.203 -4.104 -18.489 1.00 4.29 C ATOM 788 CD GLN A 50 -2.764 -3.742 -18.822 1.00 5.96 C ATOM 789 OE1 GLN A 50 -1.918 -4.700 -19.024 1.00 7.44 O flip ATOM 790 NE2 GLN A 50 -2.394 -2.591 -18.885 1.00 6.35 N flip ATOM 0 H GLN A 50 -2.302 -3.101 -16.596 1.00 2.58 H new ATOM 0 HA GLN A 50 -5.113 -2.773 -16.340 1.00 2.59 H new ATOM 0 HB2 GLN A 50 -3.395 -5.253 -16.850 1.00 2.89 H new ATOM 0 HB3 GLN A 50 -5.145 -5.282 -16.945 1.00 2.89 H new ATOM 0 HG2 GLN A 50 -4.572 -4.855 -19.188 1.00 4.29 H new ATOM 0 HG3 GLN A 50 -4.844 -3.229 -18.594 1.00 4.29 H new ATOM 0 HE21 GLN A 50 -3.057 -1.833 -18.726 1.00 6.35 H new ATOM 0 HE22 GLN A 50 -1.419 -2.380 -19.097 1.00 6.35 H new ATOM 799 N LYS A 51 -3.646 -4.552 -14.010 1.00 2.04 N ATOM 800 CA LYS A 51 -3.799 -5.173 -12.658 1.00 2.03 C ATOM 801 C LYS A 51 -4.308 -4.132 -11.654 1.00 1.74 C ATOM 802 O LYS A 51 -4.934 -4.465 -10.660 1.00 1.90 O ATOM 803 CB LYS A 51 -2.425 -5.698 -12.217 1.00 2.39 C ATOM 804 CG LYS A 51 -2.539 -7.168 -11.774 1.00 2.82 C ATOM 805 CD LYS A 51 -1.533 -7.486 -10.646 1.00 3.14 C ATOM 806 CE LYS A 51 -1.812 -6.600 -9.419 1.00 3.64 C ATOM 807 NZ LYS A 51 -3.270 -6.610 -9.086 1.00 4.01 N ATOM 0 H LYS A 51 -2.687 -4.521 -14.356 1.00 2.04 H new ATOM 0 HA LYS A 51 -4.520 -5.989 -12.699 1.00 2.03 H new ATOM 0 HB2 LYS A 51 -1.713 -5.611 -13.038 1.00 2.39 H new ATOM 0 HB3 LYS A 51 -2.041 -5.091 -11.397 1.00 2.39 H new ATOM 0 HG2 LYS A 51 -3.553 -7.370 -11.429 1.00 2.82 H new ATOM 0 HG3 LYS A 51 -2.355 -7.823 -12.625 1.00 2.82 H new ATOM 0 HD2 LYS A 51 -1.607 -8.538 -10.369 1.00 3.14 H new ATOM 0 HD3 LYS A 51 -0.515 -7.320 -10.999 1.00 3.14 H new ATOM 0 HE2 LYS A 51 -1.236 -6.958 -8.566 1.00 3.64 H new ATOM 0 HE3 LYS A 51 -1.486 -5.579 -9.618 1.00 3.64 H new ATOM 0 HZ1 LYS A 51 -3.443 -5.994 -8.266 1.00 4.01 H new ATOM 0 HZ2 LYS A 51 -3.815 -6.263 -9.901 1.00 4.01 H new ATOM 0 HZ3 LYS A 51 -3.568 -7.580 -8.859 1.00 4.01 H new ATOM 821 N ALA A 52 -3.954 -2.909 -11.914 1.00 1.72 N ATOM 822 CA ALA A 52 -4.369 -1.778 -11.041 1.00 1.79 C ATOM 823 C ALA A 52 -5.552 -1.044 -11.679 1.00 1.93 C ATOM 824 O ALA A 52 -6.686 -1.229 -11.279 1.00 2.06 O ATOM 825 CB ALA A 52 -3.162 -0.839 -10.900 1.00 2.00 C ATOM 0 H ALA A 52 -3.381 -2.638 -12.713 1.00 1.72 H new ATOM 0 HA ALA A 52 -4.684 -2.134 -10.060 1.00 1.79 H new ATOM 0 HB1 ALA A 52 -3.430 0.005 -10.264 1.00 2.00 H new ATOM 0 HB2 ALA A 52 -2.330 -1.381 -10.452 1.00 2.00 H new ATOM 0 HB3 ALA A 52 -2.869 -0.473 -11.884 1.00 2.00 H new ATOM 831 N GLY A 53 -5.268 -0.283 -12.697 1.00 2.41 N ATOM 832 CA GLY A 53 -6.359 0.474 -13.384 1.00 2.67 C ATOM 833 C GLY A 53 -6.082 1.972 -13.371 1.00 3.14 C ATOM 834 O GLY A 53 -6.987 2.765 -13.182 1.00 3.96 O ATOM 0 H GLY A 53 -4.334 -0.150 -13.084 1.00 2.41 H new ATOM 0 HA2 GLY A 53 -6.453 0.128 -14.413 1.00 2.67 H new ATOM 0 HA3 GLY A 53 -7.311 0.273 -12.892 1.00 2.67 H new ATOM 838 N LYS A 54 -4.841 2.342 -13.570 1.00 2.89 N ATOM 839 CA LYS A 54 -4.500 3.802 -13.583 1.00 3.35 C ATOM 840 C LYS A 54 -3.510 4.103 -14.722 1.00 3.29 C ATOM 841 O LYS A 54 -2.706 3.267 -15.076 1.00 3.24 O ATOM 842 CB LYS A 54 -3.870 4.197 -12.236 1.00 3.98 C ATOM 843 CG LYS A 54 -4.957 4.393 -11.168 1.00 4.46 C ATOM 844 CD LYS A 54 -5.554 5.806 -11.278 1.00 4.97 C ATOM 845 CE LYS A 54 -6.469 6.063 -10.074 1.00 5.92 C ATOM 846 NZ LYS A 54 -5.674 6.045 -8.817 1.00 6.68 N ATOM 0 H LYS A 54 -4.057 1.707 -13.722 1.00 2.89 H new ATOM 0 HA LYS A 54 -5.412 4.378 -13.742 1.00 3.35 H new ATOM 0 HB2 LYS A 54 -3.172 3.424 -11.914 1.00 3.98 H new ATOM 0 HB3 LYS A 54 -3.297 5.117 -12.352 1.00 3.98 H new ATOM 0 HG2 LYS A 54 -5.742 3.647 -11.295 1.00 4.46 H new ATOM 0 HG3 LYS A 54 -4.533 4.245 -10.175 1.00 4.46 H new ATOM 0 HD2 LYS A 54 -4.757 6.549 -11.309 1.00 4.97 H new ATOM 0 HD3 LYS A 54 -6.118 5.904 -12.206 1.00 4.97 H new ATOM 0 HE2 LYS A 54 -6.967 7.026 -10.185 1.00 5.92 H new ATOM 0 HE3 LYS A 54 -7.249 5.303 -10.031 1.00 5.92 H new ATOM 0 HZ1 LYS A 54 -5.951 5.224 -8.243 1.00 6.68 H new ATOM 0 HZ2 LYS A 54 -4.662 5.981 -9.047 1.00 6.68 H new ATOM 0 HZ3 LYS A 54 -5.852 6.918 -8.281 1.00 6.68 H new ATOM 860 N PRO A 55 -3.543 5.321 -15.234 1.00 3.94 N ATOM 861 CA PRO A 55 -2.681 5.729 -16.370 1.00 4.16 C ATOM 862 C PRO A 55 -1.268 6.101 -15.890 1.00 4.18 C ATOM 863 O PRO A 55 -0.725 7.134 -16.242 1.00 5.07 O ATOM 864 CB PRO A 55 -3.415 6.938 -16.955 1.00 5.31 C ATOM 865 CG PRO A 55 -4.218 7.541 -15.784 1.00 6.02 C ATOM 866 CD PRO A 55 -4.489 6.385 -14.804 1.00 5.01 C ATOM 0 HA PRO A 55 -2.532 4.934 -17.101 1.00 4.16 H new ATOM 0 HB2 PRO A 55 -2.712 7.664 -17.363 1.00 5.31 H new ATOM 0 HB3 PRO A 55 -4.074 6.640 -17.770 1.00 5.31 H new ATOM 0 HG2 PRO A 55 -3.657 8.339 -15.298 1.00 6.02 H new ATOM 0 HG3 PRO A 55 -5.152 7.978 -16.137 1.00 6.02 H new ATOM 0 HD2 PRO A 55 -4.309 6.686 -13.772 1.00 5.01 H new ATOM 0 HD3 PRO A 55 -5.524 6.047 -14.862 1.00 5.01 H new ATOM 874 N VAL A 56 -0.703 5.231 -15.105 1.00 3.82 N ATOM 875 CA VAL A 56 0.671 5.467 -14.575 1.00 4.22 C ATOM 876 C VAL A 56 1.565 4.294 -14.988 1.00 3.02 C ATOM 877 O VAL A 56 1.625 3.279 -14.327 1.00 3.74 O ATOM 878 CB VAL A 56 0.635 5.623 -13.033 1.00 5.91 C ATOM 879 CG1 VAL A 56 0.452 7.110 -12.682 1.00 7.23 C ATOM 880 CG2 VAL A 56 -0.540 4.827 -12.449 1.00 6.54 C ATOM 0 H VAL A 56 -1.136 4.358 -14.804 1.00 3.82 H new ATOM 0 HA VAL A 56 1.076 6.390 -14.989 1.00 4.22 H new ATOM 0 HB VAL A 56 1.569 5.247 -12.615 1.00 5.91 H new ATOM 0 HG11 VAL A 56 0.426 7.228 -11.599 1.00 7.23 H new ATOM 0 HG12 VAL A 56 1.284 7.685 -13.089 1.00 7.23 H new ATOM 0 HG13 VAL A 56 -0.483 7.472 -13.109 1.00 7.23 H new ATOM 0 HG21 VAL A 56 -0.556 4.944 -11.365 1.00 6.54 H new ATOM 0 HG22 VAL A 56 -1.475 5.199 -12.868 1.00 6.54 H new ATOM 0 HG23 VAL A 56 -0.425 3.772 -12.699 1.00 6.54 H new ATOM 890 N GLU A 57 2.251 4.459 -16.088 1.00 2.51 N ATOM 891 CA GLU A 57 3.144 3.367 -16.578 1.00 2.91 C ATOM 892 C GLU A 57 4.390 3.215 -15.690 1.00 2.73 C ATOM 893 O GLU A 57 5.208 2.338 -15.917 1.00 3.34 O ATOM 894 CB GLU A 57 3.528 3.685 -18.041 1.00 4.71 C ATOM 895 CG GLU A 57 4.263 5.038 -18.173 1.00 5.70 C ATOM 896 CD GLU A 57 5.774 4.863 -17.981 1.00 7.03 C ATOM 897 OE1 GLU A 57 6.198 4.940 -16.842 1.00 7.15 O ATOM 898 OE2 GLU A 57 6.434 4.616 -18.978 1.00 8.45 O ATOM 0 H GLU A 57 2.232 5.299 -16.667 1.00 2.51 H new ATOM 0 HA GLU A 57 2.619 2.413 -16.531 1.00 2.91 H new ATOM 0 HB2 GLU A 57 4.164 2.889 -18.429 1.00 4.71 H new ATOM 0 HB3 GLU A 57 2.628 3.702 -18.655 1.00 4.71 H new ATOM 0 HG2 GLU A 57 4.065 5.469 -19.154 1.00 5.70 H new ATOM 0 HG3 GLU A 57 3.877 5.739 -17.433 1.00 5.70 H new ATOM 905 N THR A 58 4.484 4.043 -14.685 1.00 2.68 N ATOM 906 CA THR A 58 5.656 4.005 -13.754 1.00 3.28 C ATOM 907 C THR A 58 5.392 3.027 -12.599 1.00 2.63 C ATOM 908 O THR A 58 4.286 2.551 -12.417 1.00 2.54 O ATOM 909 CB THR A 58 5.868 5.435 -13.216 1.00 4.35 C ATOM 910 OG1 THR A 58 6.387 6.183 -14.311 1.00 5.37 O ATOM 911 CG2 THR A 58 6.949 5.540 -12.133 1.00 5.30 C ATOM 0 H THR A 58 3.789 4.756 -14.464 1.00 2.68 H new ATOM 0 HA THR A 58 6.548 3.660 -14.277 1.00 3.28 H new ATOM 0 HB THR A 58 4.920 5.774 -12.797 1.00 4.35 H new ATOM 0 HG1 THR A 58 6.292 5.663 -15.136 1.00 5.37 H new ATOM 0 HG21 THR A 58 7.038 6.576 -11.807 1.00 5.30 H new ATOM 0 HG22 THR A 58 6.675 4.914 -11.284 1.00 5.30 H new ATOM 0 HG23 THR A 58 7.904 5.204 -12.538 1.00 5.30 H new ATOM 919 N VAL A 59 6.409 2.785 -11.813 1.00 2.44 N ATOM 920 CA VAL A 59 6.268 1.836 -10.668 1.00 1.91 C ATOM 921 C VAL A 59 6.087 2.606 -9.340 1.00 1.67 C ATOM 922 O VAL A 59 6.438 3.769 -9.242 1.00 2.11 O ATOM 923 CB VAL A 59 7.544 0.972 -10.625 1.00 2.20 C ATOM 924 CG1 VAL A 59 8.768 1.864 -10.357 1.00 3.51 C ATOM 925 CG2 VAL A 59 7.438 -0.095 -9.525 1.00 2.87 C ATOM 0 H VAL A 59 7.333 3.205 -11.915 1.00 2.44 H new ATOM 0 HA VAL A 59 5.387 1.209 -10.800 1.00 1.91 H new ATOM 0 HB VAL A 59 7.657 0.474 -11.588 1.00 2.20 H new ATOM 0 HG11 VAL A 59 9.667 1.249 -10.328 1.00 3.51 H new ATOM 0 HG12 VAL A 59 8.860 2.604 -11.152 1.00 3.51 H new ATOM 0 HG13 VAL A 59 8.645 2.373 -9.401 1.00 3.51 H new ATOM 0 HG21 VAL A 59 8.348 -0.694 -9.511 1.00 2.87 H new ATOM 0 HG22 VAL A 59 7.308 0.391 -8.558 1.00 2.87 H new ATOM 0 HG23 VAL A 59 6.582 -0.740 -9.725 1.00 2.87 H new ATOM 935 N PRO A 60 5.562 1.946 -8.325 1.00 1.36 N ATOM 936 CA PRO A 60 4.635 0.791 -8.426 1.00 1.24 C ATOM 937 C PRO A 60 3.182 1.222 -8.209 1.00 0.94 C ATOM 938 O PRO A 60 2.841 2.393 -8.263 1.00 1.06 O ATOM 939 CB PRO A 60 5.087 -0.099 -7.270 1.00 1.69 C ATOM 940 CG PRO A 60 5.665 0.864 -6.207 1.00 1.93 C ATOM 941 CD PRO A 60 5.983 2.191 -6.931 1.00 1.73 C ATOM 0 HA PRO A 60 4.664 0.309 -9.403 1.00 1.24 H new ATOM 0 HB2 PRO A 60 4.252 -0.673 -6.867 1.00 1.69 H new ATOM 0 HB3 PRO A 60 5.838 -0.817 -7.598 1.00 1.69 H new ATOM 0 HG2 PRO A 60 4.949 1.025 -5.402 1.00 1.93 H new ATOM 0 HG3 PRO A 60 6.564 0.446 -5.755 1.00 1.93 H new ATOM 0 HD2 PRO A 60 5.439 3.027 -6.491 1.00 1.73 H new ATOM 0 HD3 PRO A 60 7.044 2.434 -6.871 1.00 1.73 H new ATOM 949 N GLN A 61 2.362 0.238 -7.953 1.00 0.77 N ATOM 950 CA GLN A 61 0.917 0.501 -7.686 1.00 0.70 C ATOM 951 C GLN A 61 0.550 -0.114 -6.329 1.00 0.51 C ATOM 952 O GLN A 61 1.188 -1.059 -5.880 1.00 0.53 O ATOM 953 CB GLN A 61 0.047 -0.130 -8.783 1.00 1.06 C ATOM 954 CG GLN A 61 -0.048 0.798 -10.011 1.00 1.75 C ATOM 955 CD GLN A 61 1.316 0.930 -10.691 1.00 2.12 C ATOM 956 OE1 GLN A 61 2.057 -0.021 -10.807 1.00 3.00 O ATOM 957 NE2 GLN A 61 1.689 2.077 -11.176 1.00 3.26 N ATOM 0 H GLN A 61 2.633 -0.745 -7.917 1.00 0.77 H new ATOM 0 HA GLN A 61 0.740 1.577 -7.676 1.00 0.70 H new ATOM 0 HB2 GLN A 61 0.468 -1.090 -9.080 1.00 1.06 H new ATOM 0 HB3 GLN A 61 -0.951 -0.327 -8.393 1.00 1.06 H new ATOM 0 HG2 GLN A 61 -0.776 0.401 -10.718 1.00 1.75 H new ATOM 0 HG3 GLN A 61 -0.404 1.781 -9.704 1.00 1.75 H new ATOM 0 HE21 GLN A 61 1.079 2.890 -11.089 1.00 3.26 H new ATOM 0 HE22 GLN A 61 2.591 2.164 -11.644 1.00 3.26 H new ATOM 966 N ILE A 62 -0.474 0.429 -5.725 1.00 0.53 N ATOM 967 CA ILE A 62 -0.931 -0.072 -4.398 1.00 0.53 C ATOM 968 C ILE A 62 -2.392 -0.518 -4.475 1.00 0.57 C ATOM 969 O ILE A 62 -3.197 0.056 -5.210 1.00 0.61 O ATOM 970 CB ILE A 62 -0.818 1.058 -3.359 1.00 0.68 C ATOM 971 CG1 ILE A 62 0.598 1.673 -3.361 1.00 0.80 C ATOM 972 CG2 ILE A 62 -1.162 0.513 -1.962 1.00 0.85 C ATOM 973 CD1 ILE A 62 1.661 0.646 -2.943 1.00 1.99 C ATOM 0 H ILE A 62 -1.018 1.206 -6.100 1.00 0.53 H new ATOM 0 HA ILE A 62 -0.307 -0.918 -4.109 1.00 0.53 H new ATOM 0 HB ILE A 62 -1.525 1.844 -3.623 1.00 0.68 H new ATOM 0 HG12 ILE A 62 0.829 2.052 -4.356 1.00 0.80 H new ATOM 0 HG13 ILE A 62 0.627 2.524 -2.681 1.00 0.80 H new ATOM 0 HG21 ILE A 62 -1.081 1.315 -1.228 1.00 0.85 H new ATOM 0 HG22 ILE A 62 -2.180 0.124 -1.964 1.00 0.85 H new ATOM 0 HG23 ILE A 62 -0.469 -0.287 -1.703 1.00 0.85 H new ATOM 0 HD11 ILE A 62 2.645 1.115 -2.956 1.00 1.99 H new ATOM 0 HD12 ILE A 62 1.444 0.286 -1.937 1.00 1.99 H new ATOM 0 HD13 ILE A 62 1.650 -0.193 -3.639 1.00 1.99 H new ATOM 985 N PHE A 63 -2.672 -1.537 -3.706 1.00 0.57 N ATOM 986 CA PHE A 63 -4.037 -2.118 -3.614 1.00 0.67 C ATOM 987 C PHE A 63 -4.450 -2.072 -2.148 1.00 0.69 C ATOM 988 O PHE A 63 -3.664 -2.484 -1.303 1.00 0.73 O ATOM 989 CB PHE A 63 -3.987 -3.586 -4.055 1.00 0.82 C ATOM 990 CG PHE A 63 -3.706 -3.664 -5.555 1.00 0.91 C ATOM 991 CD1 PHE A 63 -2.499 -3.224 -6.074 1.00 1.04 C ATOM 992 CD2 PHE A 63 -4.694 -4.092 -6.417 1.00 1.06 C ATOM 993 CE1 PHE A 63 -2.298 -3.188 -7.435 1.00 1.17 C ATOM 994 CE2 PHE A 63 -4.491 -4.062 -7.778 1.00 1.20 C ATOM 995 CZ PHE A 63 -3.298 -3.601 -8.286 1.00 1.20 C ATOM 0 H PHE A 63 -1.982 -2.004 -3.118 1.00 0.57 H new ATOM 0 HA PHE A 63 -4.736 -1.567 -4.244 1.00 0.67 H new ATOM 0 HB2 PHE A 63 -3.211 -4.116 -3.502 1.00 0.82 H new ATOM 0 HB3 PHE A 63 -4.933 -4.077 -3.826 1.00 0.82 H new ATOM 0 HD1 PHE A 63 -1.711 -2.907 -5.407 1.00 1.04 H new ATOM 0 HD2 PHE A 63 -5.632 -4.453 -6.022 1.00 1.06 H new ATOM 0 HE1 PHE A 63 -1.358 -2.837 -7.834 1.00 1.17 H new ATOM 0 HE2 PHE A 63 -5.268 -4.400 -8.447 1.00 1.20 H new ATOM 0 HZ PHE A 63 -3.146 -3.563 -9.355 1.00 1.20 H new ATOM 1005 N VAL A 64 -5.625 -1.573 -1.855 1.00 0.70 N ATOM 1006 CA VAL A 64 -6.043 -1.545 -0.421 1.00 0.77 C ATOM 1007 C VAL A 64 -7.164 -2.558 -0.203 1.00 0.96 C ATOM 1008 O VAL A 64 -8.081 -2.692 -0.998 1.00 1.13 O ATOM 1009 CB VAL A 64 -6.507 -0.133 -0.017 1.00 0.77 C ATOM 1010 CG1 VAL A 64 -7.176 -0.173 1.361 1.00 0.83 C ATOM 1011 CG2 VAL A 64 -5.286 0.786 0.108 1.00 0.81 C ATOM 0 H VAL A 64 -6.295 -1.194 -2.524 1.00 0.70 H new ATOM 0 HA VAL A 64 -5.191 -1.809 0.205 1.00 0.77 H new ATOM 0 HB VAL A 64 -7.203 0.229 -0.774 1.00 0.77 H new ATOM 0 HG11 VAL A 64 -7.500 0.830 1.637 1.00 0.83 H new ATOM 0 HG12 VAL A 64 -8.040 -0.837 1.327 1.00 0.83 H new ATOM 0 HG13 VAL A 64 -6.464 -0.541 2.100 1.00 0.83 H new ATOM 0 HG21 VAL A 64 -5.611 1.786 0.394 1.00 0.81 H new ATOM 0 HG22 VAL A 64 -4.611 0.393 0.868 1.00 0.81 H new ATOM 0 HG23 VAL A 64 -4.767 0.833 -0.849 1.00 0.81 H new ATOM 1021 N ASP A 65 -7.034 -3.237 0.899 1.00 1.27 N ATOM 1022 CA ASP A 65 -7.994 -4.291 1.334 1.00 1.59 C ATOM 1023 C ASP A 65 -8.213 -5.337 0.248 1.00 1.81 C ATOM 1024 O ASP A 65 -7.622 -6.399 0.290 1.00 2.45 O ATOM 1025 CB ASP A 65 -9.340 -3.647 1.739 1.00 1.54 C ATOM 1026 CG ASP A 65 -9.716 -3.978 3.195 1.00 1.98 C ATOM 1027 OD1 ASP A 65 -8.916 -4.595 3.884 1.00 3.06 O ATOM 1028 OD2 ASP A 65 -10.767 -3.532 3.581 1.00 2.49 O ATOM 0 H ASP A 65 -6.261 -3.097 1.550 1.00 1.27 H new ATOM 0 HA ASP A 65 -7.564 -4.799 2.197 1.00 1.59 H new ATOM 0 HB2 ASP A 65 -9.277 -2.566 1.616 1.00 1.54 H new ATOM 0 HB3 ASP A 65 -10.127 -3.998 1.071 1.00 1.54 H new ATOM 1033 N GLN A 66 -9.062 -5.022 -0.686 1.00 1.70 N ATOM 1034 CA GLN A 66 -9.362 -5.977 -1.786 1.00 2.04 C ATOM 1035 C GLN A 66 -9.406 -5.272 -3.145 1.00 1.81 C ATOM 1036 O GLN A 66 -9.593 -5.914 -4.154 1.00 2.05 O ATOM 1037 CB GLN A 66 -10.735 -6.621 -1.521 1.00 2.47 C ATOM 1038 CG GLN A 66 -10.692 -7.474 -0.243 1.00 3.68 C ATOM 1039 CD GLN A 66 -9.968 -8.794 -0.522 1.00 4.86 C ATOM 1040 OE1 GLN A 66 -10.555 -9.750 -0.975 1.00 5.46 O ATOM 1041 NE2 GLN A 66 -8.693 -8.884 -0.301 1.00 5.93 N ATOM 0 H GLN A 66 -9.566 -4.136 -0.735 1.00 1.70 H new ATOM 0 HA GLN A 66 -8.573 -6.728 -1.813 1.00 2.04 H new ATOM 0 HB2 GLN A 66 -11.494 -5.845 -1.422 1.00 2.47 H new ATOM 0 HB3 GLN A 66 -11.022 -7.241 -2.370 1.00 2.47 H new ATOM 0 HG2 GLN A 66 -10.181 -6.930 0.551 1.00 3.68 H new ATOM 0 HG3 GLN A 66 -11.705 -7.672 0.107 1.00 3.68 H new ATOM 0 HE21 GLN A 66 -8.184 -8.087 0.081 1.00 5.93 H new ATOM 0 HE22 GLN A 66 -8.199 -9.752 -0.509 1.00 5.93 H new ATOM 1050 N GLN A 67 -9.239 -3.978 -3.170 1.00 1.54 N ATOM 1051 CA GLN A 67 -9.307 -3.239 -4.456 1.00 1.48 C ATOM 1052 C GLN A 67 -7.968 -2.605 -4.813 1.00 1.38 C ATOM 1053 O GLN A 67 -7.020 -2.654 -4.052 1.00 1.42 O ATOM 1054 CB GLN A 67 -10.362 -2.119 -4.337 1.00 1.47 C ATOM 1055 CG GLN A 67 -11.068 -2.107 -2.963 1.00 2.74 C ATOM 1056 CD GLN A 67 -12.103 -3.237 -2.875 1.00 4.03 C ATOM 1057 OE1 GLN A 67 -11.997 -4.279 -3.645 1.00 4.94 O flip ATOM 1058 NE2 GLN A 67 -13.031 -3.173 -2.101 1.00 4.86 N flip ATOM 0 H GLN A 67 -9.058 -3.401 -2.349 1.00 1.54 H new ATOM 0 HA GLN A 67 -9.573 -3.950 -5.238 1.00 1.48 H new ATOM 0 HB2 GLN A 67 -9.882 -1.155 -4.502 1.00 1.47 H new ATOM 0 HB3 GLN A 67 -11.107 -2.243 -5.123 1.00 1.47 H new ATOM 0 HG2 GLN A 67 -10.330 -2.220 -2.169 1.00 2.74 H new ATOM 0 HG3 GLN A 67 -11.558 -1.146 -2.809 1.00 2.74 H new ATOM 0 HE21 GLN A 67 -13.130 -2.363 -1.489 1.00 4.86 H new ATOM 0 HE22 GLN A 67 -13.714 -3.929 -2.060 1.00 4.86 H new ATOM 1067 N HIS A 68 -7.950 -2.007 -5.966 1.00 1.34 N ATOM 1068 CA HIS A 68 -6.725 -1.323 -6.456 1.00 1.22 C ATOM 1069 C HIS A 68 -6.891 0.155 -6.100 1.00 1.09 C ATOM 1070 O HIS A 68 -8.000 0.660 -6.118 1.00 1.26 O ATOM 1071 CB HIS A 68 -6.637 -1.475 -7.976 1.00 1.37 C ATOM 1072 CG HIS A 68 -6.111 -0.213 -8.637 1.00 1.29 C ATOM 1073 ND1 HIS A 68 -6.896 0.530 -9.348 1.00 1.92 N ATOM 1074 CD2 HIS A 68 -4.916 0.436 -8.543 1.00 1.36 C ATOM 1075 CE1 HIS A 68 -6.253 1.620 -9.681 1.00 2.29 C ATOM 1076 NE2 HIS A 68 -5.038 1.555 -9.193 1.00 2.01 N ATOM 0 H HIS A 68 -8.746 -1.962 -6.602 1.00 1.34 H new ATOM 0 HA HIS A 68 -5.822 -1.743 -6.012 1.00 1.22 H new ATOM 0 HB2 HIS A 68 -5.984 -2.313 -8.221 1.00 1.37 H new ATOM 0 HB3 HIS A 68 -7.623 -1.711 -8.376 1.00 1.37 H new ATOM 0 HD1 HIS A 68 -7.857 0.304 -9.606 1.00 1.92 H new ATOM 0 HD2 HIS A 68 -4.034 0.087 -8.026 1.00 1.36 H new ATOM 0 HE1 HIS A 68 -6.656 2.437 -10.261 1.00 2.29 H new ATOM 1084 N ILE A 69 -5.822 0.835 -5.802 1.00 0.85 N ATOM 1085 CA ILE A 69 -5.966 2.276 -5.445 1.00 0.83 C ATOM 1086 C ILE A 69 -5.252 3.154 -6.473 1.00 0.92 C ATOM 1087 O ILE A 69 -5.805 4.132 -6.939 1.00 1.17 O ATOM 1088 CB ILE A 69 -5.391 2.490 -4.036 1.00 0.74 C ATOM 1089 CG1 ILE A 69 -6.103 1.568 -3.022 1.00 0.88 C ATOM 1090 CG2 ILE A 69 -5.589 3.947 -3.606 1.00 0.69 C ATOM 1091 CD1 ILE A 69 -7.632 1.742 -3.067 1.00 0.92 C ATOM 0 H ILE A 69 -4.871 0.467 -5.789 1.00 0.85 H new ATOM 0 HA ILE A 69 -7.018 2.560 -5.451 1.00 0.83 H new ATOM 0 HB ILE A 69 -4.327 2.253 -4.058 1.00 0.74 H new ATOM 0 HG12 ILE A 69 -5.849 0.529 -3.234 1.00 0.88 H new ATOM 0 HG13 ILE A 69 -5.742 1.786 -2.017 1.00 0.88 H new ATOM 0 HG21 ILE A 69 -5.179 4.090 -2.606 1.00 0.69 H new ATOM 0 HG22 ILE A 69 -5.076 4.606 -4.307 1.00 0.69 H new ATOM 0 HG23 ILE A 69 -6.653 4.183 -3.599 1.00 0.69 H new ATOM 0 HD11 ILE A 69 -8.096 1.076 -2.339 1.00 0.92 H new ATOM 0 HD12 ILE A 69 -7.888 2.774 -2.829 1.00 0.92 H new ATOM 0 HD13 ILE A 69 -7.997 1.499 -4.065 1.00 0.92 H new ATOM 1103 N GLY A 70 -4.048 2.793 -6.815 1.00 0.89 N ATOM 1104 CA GLY A 70 -3.291 3.610 -7.817 1.00 1.13 C ATOM 1105 C GLY A 70 -1.802 3.622 -7.504 1.00 0.87 C ATOM 1106 O GLY A 70 -1.318 2.694 -6.908 1.00 1.76 O ATOM 0 H GLY A 70 -3.555 1.977 -6.452 1.00 0.89 H new ATOM 0 HA2 GLY A 70 -3.452 3.206 -8.816 1.00 1.13 H new ATOM 0 HA3 GLY A 70 -3.673 4.631 -7.821 1.00 1.13 H new ATOM 1110 N GLY A 71 -1.108 4.654 -7.905 1.00 0.97 N ATOM 1111 CA GLY A 71 0.372 4.693 -7.638 1.00 0.95 C ATOM 1112 C GLY A 71 0.694 5.251 -6.246 1.00 0.89 C ATOM 1113 O GLY A 71 -0.185 5.443 -5.427 1.00 1.46 O ATOM 0 H GLY A 71 -1.488 5.462 -8.398 1.00 0.97 H new ATOM 0 HA2 GLY A 71 0.783 3.687 -7.729 1.00 0.95 H new ATOM 0 HA3 GLY A 71 0.860 5.306 -8.395 1.00 0.95 H new ATOM 1117 N TYR A 72 1.961 5.500 -6.008 1.00 1.09 N ATOM 1118 CA TYR A 72 2.381 6.049 -4.680 1.00 1.04 C ATOM 1119 C TYR A 72 1.545 7.292 -4.342 1.00 0.97 C ATOM 1120 O TYR A 72 1.058 7.425 -3.231 1.00 1.11 O ATOM 1121 CB TYR A 72 3.881 6.384 -4.749 1.00 1.16 C ATOM 1122 CG TYR A 72 4.360 7.164 -3.513 1.00 1.20 C ATOM 1123 CD1 TYR A 72 3.858 6.904 -2.251 1.00 1.06 C ATOM 1124 CD2 TYR A 72 5.345 8.121 -3.648 1.00 1.79 C ATOM 1125 CE1 TYR A 72 4.335 7.591 -1.151 1.00 1.35 C ATOM 1126 CE2 TYR A 72 5.821 8.802 -2.549 1.00 2.01 C ATOM 1127 CZ TYR A 72 5.322 8.544 -1.294 1.00 1.73 C ATOM 1128 OH TYR A 72 5.808 9.231 -0.204 1.00 2.11 O ATOM 0 H TYR A 72 2.719 5.347 -6.673 1.00 1.09 H new ATOM 0 HA TYR A 72 2.215 5.316 -3.890 1.00 1.04 H new ATOM 0 HB2 TYR A 72 4.454 5.461 -4.838 1.00 1.16 H new ATOM 0 HB3 TYR A 72 4.080 6.971 -5.646 1.00 1.16 H new ATOM 0 HD1 TYR A 72 3.087 6.158 -2.124 1.00 1.06 H new ATOM 0 HD2 TYR A 72 5.747 8.339 -4.626 1.00 1.79 H new ATOM 0 HE1 TYR A 72 3.932 7.380 -0.172 1.00 1.35 H new ATOM 0 HE2 TYR A 72 6.594 9.546 -2.675 1.00 2.01 H new ATOM 0 HH TYR A 72 6.500 9.861 -0.496 1.00 2.11 H new ATOM 1138 N THR A 73 1.384 8.158 -5.305 1.00 1.04 N ATOM 1139 CA THR A 73 0.571 9.376 -5.060 1.00 1.06 C ATOM 1140 C THR A 73 -0.886 8.967 -4.779 1.00 1.09 C ATOM 1141 O THR A 73 -1.487 9.466 -3.854 1.00 1.21 O ATOM 1142 CB THR A 73 0.679 10.288 -6.291 1.00 1.16 C ATOM 1143 OG1 THR A 73 0.669 9.402 -7.402 1.00 1.32 O ATOM 1144 CG2 THR A 73 2.049 10.981 -6.354 1.00 1.23 C ATOM 0 H THR A 73 1.778 8.074 -6.242 1.00 1.04 H new ATOM 0 HA THR A 73 0.936 9.922 -4.190 1.00 1.06 H new ATOM 0 HB THR A 73 -0.115 11.035 -6.270 1.00 1.16 H new ATOM 0 HG1 THR A 73 0.734 9.918 -8.233 1.00 1.32 H new ATOM 0 HG21 THR A 73 2.094 11.619 -7.236 1.00 1.23 H new ATOM 0 HG22 THR A 73 2.191 11.588 -5.460 1.00 1.23 H new ATOM 0 HG23 THR A 73 2.835 10.228 -6.411 1.00 1.23 H new ATOM 1152 N ASP A 74 -1.406 8.028 -5.530 1.00 1.14 N ATOM 1153 CA ASP A 74 -2.820 7.613 -5.266 1.00 1.14 C ATOM 1154 C ASP A 74 -2.939 7.033 -3.868 1.00 1.01 C ATOM 1155 O ASP A 74 -3.824 7.395 -3.141 1.00 1.07 O ATOM 1156 CB ASP A 74 -3.269 6.554 -6.257 1.00 1.30 C ATOM 1157 CG ASP A 74 -3.607 7.203 -7.585 1.00 1.59 C ATOM 1158 OD1 ASP A 74 -4.487 8.044 -7.576 1.00 2.68 O ATOM 1159 OD2 ASP A 74 -3.030 6.751 -8.559 1.00 2.48 O ATOM 0 H ASP A 74 -0.931 7.543 -6.292 1.00 1.14 H new ATOM 0 HA ASP A 74 -3.449 8.498 -5.367 1.00 1.14 H new ATOM 0 HB2 ASP A 74 -2.481 5.814 -6.394 1.00 1.30 H new ATOM 0 HB3 ASP A 74 -4.139 6.025 -5.868 1.00 1.30 H new ATOM 1164 N PHE A 75 -2.066 6.131 -3.522 1.00 0.93 N ATOM 1165 CA PHE A 75 -2.160 5.560 -2.153 1.00 0.88 C ATOM 1166 C PHE A 75 -1.987 6.699 -1.151 1.00 0.78 C ATOM 1167 O PHE A 75 -2.811 6.885 -0.298 1.00 0.74 O ATOM 1168 CB PHE A 75 -1.078 4.498 -1.941 1.00 0.97 C ATOM 1169 CG PHE A 75 -1.262 3.800 -0.575 1.00 0.89 C ATOM 1170 CD1 PHE A 75 -2.514 3.429 -0.109 1.00 0.84 C ATOM 1171 CD2 PHE A 75 -0.149 3.484 0.185 1.00 1.02 C ATOM 1172 CE1 PHE A 75 -2.644 2.751 1.087 1.00 0.81 C ATOM 1173 CE2 PHE A 75 -0.277 2.806 1.378 1.00 1.03 C ATOM 1174 CZ PHE A 75 -1.527 2.436 1.826 1.00 0.87 C ATOM 0 H PHE A 75 -1.312 5.773 -4.108 1.00 0.93 H new ATOM 0 HA PHE A 75 -3.129 5.081 -2.014 1.00 0.88 H new ATOM 0 HB2 PHE A 75 -1.123 3.760 -2.742 1.00 0.97 H new ATOM 0 HB3 PHE A 75 -0.092 4.961 -1.989 1.00 0.97 H new ATOM 0 HD1 PHE A 75 -3.394 3.672 -0.686 1.00 0.84 H new ATOM 0 HD2 PHE A 75 0.832 3.773 -0.161 1.00 1.02 H new ATOM 0 HE1 PHE A 75 -3.624 2.468 1.443 1.00 0.81 H new ATOM 0 HE2 PHE A 75 0.600 2.565 1.961 1.00 1.03 H new ATOM 0 HZ PHE A 75 -1.630 1.899 2.757 1.00 0.87 H new ATOM 1184 N ALA A 76 -0.942 7.464 -1.304 1.00 0.82 N ATOM 1185 CA ALA A 76 -0.717 8.596 -0.359 1.00 0.83 C ATOM 1186 C ALA A 76 -1.985 9.451 -0.209 1.00 0.87 C ATOM 1187 O ALA A 76 -2.446 9.675 0.890 1.00 0.91 O ATOM 1188 CB ALA A 76 0.436 9.455 -0.882 1.00 0.93 C ATOM 0 H ALA A 76 -0.239 7.357 -2.035 1.00 0.82 H new ATOM 0 HA ALA A 76 -0.468 8.194 0.623 1.00 0.83 H new ATOM 0 HB1 ALA A 76 0.610 10.286 -0.199 1.00 0.93 H new ATOM 0 HB2 ALA A 76 1.339 8.848 -0.952 1.00 0.93 H new ATOM 0 HB3 ALA A 76 0.182 9.843 -1.868 1.00 0.93 H new ATOM 1194 N ALA A 77 -2.536 9.894 -1.311 1.00 0.94 N ATOM 1195 CA ALA A 77 -3.768 10.735 -1.236 1.00 1.04 C ATOM 1196 C ALA A 77 -4.934 9.888 -0.739 1.00 0.98 C ATOM 1197 O ALA A 77 -5.567 10.252 0.217 1.00 1.01 O ATOM 1198 CB ALA A 77 -4.093 11.303 -2.623 1.00 1.16 C ATOM 0 H ALA A 77 -2.189 9.711 -2.253 1.00 0.94 H new ATOM 0 HA ALA A 77 -3.601 11.560 -0.543 1.00 1.04 H new ATOM 0 HB1 ALA A 77 -4.992 11.916 -2.564 1.00 1.16 H new ATOM 0 HB2 ALA A 77 -3.260 11.914 -2.970 1.00 1.16 H new ATOM 0 HB3 ALA A 77 -4.258 10.483 -3.322 1.00 1.16 H new ATOM 1204 N TRP A 78 -5.198 8.794 -1.415 1.00 0.97 N ATOM 1205 CA TRP A 78 -6.308 7.889 -0.983 1.00 0.94 C ATOM 1206 C TRP A 78 -6.261 7.781 0.542 1.00 0.83 C ATOM 1207 O TRP A 78 -7.266 7.916 1.218 1.00 0.90 O ATOM 1208 CB TRP A 78 -6.137 6.501 -1.600 1.00 0.98 C ATOM 1209 CG TRP A 78 -7.266 5.540 -1.237 1.00 0.93 C ATOM 1210 CD1 TRP A 78 -8.462 5.417 -1.888 1.00 1.05 C ATOM 1211 CD2 TRP A 78 -7.418 4.782 -0.104 1.00 0.83 C ATOM 1212 NE1 TRP A 78 -9.270 4.658 -1.206 1.00 1.01 N ATOM 1213 CE2 TRP A 78 -8.693 4.240 -0.090 1.00 0.90 C ATOM 1214 CE3 TRP A 78 -6.523 4.565 0.931 1.00 0.82 C ATOM 1215 CZ2 TRP A 78 -9.101 3.481 0.981 1.00 0.99 C ATOM 1216 CZ3 TRP A 78 -6.956 3.799 1.999 1.00 0.94 C ATOM 1217 CH2 TRP A 78 -8.232 3.266 2.026 1.00 1.03 C ATOM 0 H TRP A 78 -4.692 8.490 -2.247 1.00 0.97 H new ATOM 0 HA TRP A 78 -7.265 8.293 -1.313 1.00 0.94 H new ATOM 0 HB2 TRP A 78 -6.084 6.596 -2.685 1.00 0.98 H new ATOM 0 HB3 TRP A 78 -5.188 6.078 -1.270 1.00 0.98 H new ATOM 0 HD1 TRP A 78 -8.702 5.883 -2.832 1.00 1.05 H new ATOM 0 HE1 TRP A 78 -10.219 4.418 -1.492 1.00 1.01 H new ATOM 0 HE3 TRP A 78 -5.525 4.978 0.905 1.00 0.82 H new ATOM 0 HZ2 TRP A 78 -10.094 3.057 1.002 1.00 0.99 H new ATOM 0 HZ3 TRP A 78 -6.286 3.614 2.826 1.00 0.94 H new ATOM 0 HH2 TRP A 78 -8.549 2.677 2.874 1.00 1.03 H new ATOM 1228 N VAL A 79 -5.072 7.545 1.047 1.00 0.75 N ATOM 1229 CA VAL A 79 -4.887 7.467 2.520 1.00 0.81 C ATOM 1230 C VAL A 79 -5.290 8.833 3.072 1.00 1.11 C ATOM 1231 O VAL A 79 -6.235 8.956 3.830 1.00 1.34 O ATOM 1232 CB VAL A 79 -3.403 7.156 2.817 1.00 0.76 C ATOM 1233 CG1 VAL A 79 -3.070 7.383 4.300 1.00 0.91 C ATOM 1234 CG2 VAL A 79 -3.115 5.691 2.465 1.00 0.66 C ATOM 0 H VAL A 79 -4.225 7.404 0.496 1.00 0.75 H new ATOM 0 HA VAL A 79 -5.489 6.683 2.980 1.00 0.81 H new ATOM 0 HB VAL A 79 -2.788 7.826 2.216 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -2.019 7.155 4.476 1.00 0.91 H new ATOM 0 HG12 VAL A 79 -3.265 8.423 4.562 1.00 0.91 H new ATOM 0 HG13 VAL A 79 -3.690 6.732 4.916 1.00 0.91 H new ATOM 0 HG21 VAL A 79 -2.069 5.466 2.673 1.00 0.66 H new ATOM 0 HG22 VAL A 79 -3.752 5.041 3.065 1.00 0.66 H new ATOM 0 HG23 VAL A 79 -3.319 5.524 1.407 1.00 0.66 H new ATOM 1244 N LYS A 80 -4.636 9.857 2.597 1.00 1.28 N ATOM 1245 CA LYS A 80 -4.966 11.229 3.068 1.00 1.64 C ATOM 1246 C LYS A 80 -6.278 11.720 2.420 1.00 2.16 C ATOM 1247 O LYS A 80 -6.420 12.893 2.151 1.00 3.67 O ATOM 1248 CB LYS A 80 -3.805 12.153 2.661 1.00 1.75 C ATOM 1249 CG LYS A 80 -3.874 13.446 3.485 1.00 1.96 C ATOM 1250 CD LYS A 80 -4.156 14.660 2.574 1.00 3.43 C ATOM 1251 CE LYS A 80 -4.973 15.703 3.347 1.00 3.67 C ATOM 1252 NZ LYS A 80 -6.331 15.172 3.638 1.00 3.72 N ATOM 0 H LYS A 80 -3.889 9.802 1.905 1.00 1.28 H new ATOM 0 HA LYS A 80 -5.103 11.233 4.149 1.00 1.64 H new ATOM 0 HB2 LYS A 80 -2.851 11.653 2.827 1.00 1.75 H new ATOM 0 HB3 LYS A 80 -3.863 12.382 1.597 1.00 1.75 H new ATOM 0 HG2 LYS A 80 -4.657 13.361 4.239 1.00 1.96 H new ATOM 0 HG3 LYS A 80 -2.934 13.595 4.017 1.00 1.96 H new ATOM 0 HD2 LYS A 80 -3.218 15.098 2.233 1.00 3.43 H new ATOM 0 HD3 LYS A 80 -4.701 14.342 1.685 1.00 3.43 H new ATOM 0 HE2 LYS A 80 -4.466 15.957 4.278 1.00 3.67 H new ATOM 0 HE3 LYS A 80 -5.050 16.621 2.765 1.00 3.67 H new ATOM 0 HZ1 LYS A 80 -7.004 15.961 3.711 1.00 3.72 H new ATOM 0 HZ2 LYS A 80 -6.626 14.535 2.871 1.00 3.72 H new ATOM 0 HZ3 LYS A 80 -6.314 14.648 4.536 1.00 3.72 H new ATOM 1266 N GLU A 81 -7.179 10.809 2.159 1.00 1.29 N ATOM 1267 CA GLU A 81 -8.481 11.150 1.546 1.00 1.64 C ATOM 1268 C GLU A 81 -9.604 10.465 2.331 1.00 1.46 C ATOM 1269 O GLU A 81 -10.498 11.105 2.851 1.00 1.86 O ATOM 1270 CB GLU A 81 -8.435 10.623 0.109 1.00 1.97 C ATOM 1271 CG GLU A 81 -9.752 10.850 -0.623 1.00 2.85 C ATOM 1272 CD GLU A 81 -9.797 9.952 -1.867 1.00 4.42 C ATOM 1273 OE1 GLU A 81 -8.794 9.934 -2.567 1.00 5.09 O ATOM 1274 OE2 GLU A 81 -10.830 9.324 -2.040 1.00 5.45 O ATOM 0 H GLU A 81 -7.055 9.816 2.354 1.00 1.29 H new ATOM 0 HA GLU A 81 -8.667 12.224 1.558 1.00 1.64 H new ATOM 0 HB2 GLU A 81 -7.629 11.117 -0.433 1.00 1.97 H new ATOM 0 HB3 GLU A 81 -8.205 9.558 0.120 1.00 1.97 H new ATOM 0 HG2 GLU A 81 -10.591 10.624 0.035 1.00 2.85 H new ATOM 0 HG3 GLU A 81 -9.846 11.897 -0.911 1.00 2.85 H new ATOM 1281 N ASN A 82 -9.494 9.164 2.427 1.00 1.31 N ATOM 1282 CA ASN A 82 -10.533 8.378 3.153 1.00 1.33 C ATOM 1283 C ASN A 82 -10.086 8.057 4.577 1.00 1.42 C ATOM 1284 O ASN A 82 -10.882 7.576 5.365 1.00 1.53 O ATOM 1285 CB ASN A 82 -10.814 7.080 2.383 1.00 1.35 C ATOM 1286 CG ASN A 82 -11.595 7.419 1.110 1.00 1.54 C ATOM 1287 OD1 ASN A 82 -12.800 7.569 1.130 1.00 2.15 O ATOM 1288 ND2 ASN A 82 -10.945 7.595 0.003 1.00 1.69 N ATOM 0 H ASN A 82 -8.730 8.614 2.034 1.00 1.31 H new ATOM 0 HA ASN A 82 -11.443 8.975 3.216 1.00 1.33 H new ATOM 0 HB2 ASN A 82 -9.878 6.582 2.130 1.00 1.35 H new ATOM 0 HB3 ASN A 82 -11.385 6.390 3.003 1.00 1.35 H new ATOM 0 HD21 ASN A 82 -11.445 7.858 -0.846 1.00 1.69 H new ATOM 0 HD22 ASN A 82 -9.933 7.470 -0.019 1.00 1.69 H new ATOM 1295 N LEU A 83 -8.830 8.286 4.875 1.00 1.48 N ATOM 1296 CA LEU A 83 -8.357 8.008 6.272 1.00 1.73 C ATOM 1297 C LEU A 83 -8.106 9.338 6.982 1.00 2.19 C ATOM 1298 O LEU A 83 -8.289 9.432 8.186 1.00 2.36 O ATOM 1299 CB LEU A 83 -7.056 7.183 6.287 1.00 1.53 C ATOM 1300 CG LEU A 83 -7.214 5.851 5.526 1.00 1.12 C ATOM 1301 CD1 LEU A 83 -5.978 4.980 5.780 1.00 1.04 C ATOM 1302 CD2 LEU A 83 -8.460 5.088 5.999 1.00 1.36 C ATOM 0 H LEU A 83 -8.125 8.645 4.231 1.00 1.48 H new ATOM 0 HA LEU A 83 -9.129 7.430 6.780 1.00 1.73 H new ATOM 0 HB2 LEU A 83 -6.251 7.765 5.838 1.00 1.53 H new ATOM 0 HB3 LEU A 83 -6.766 6.980 7.318 1.00 1.53 H new ATOM 0 HG LEU A 83 -7.321 6.072 4.464 1.00 1.12 H new ATOM 0 HD11 LEU A 83 -6.082 4.036 5.245 1.00 1.04 H new ATOM 0 HD12 LEU A 83 -5.087 5.500 5.428 1.00 1.04 H new ATOM 0 HD13 LEU A 83 -5.885 4.783 6.848 1.00 1.04 H new ATOM 0 HD21 LEU A 83 -8.546 4.153 5.445 1.00 1.36 H new ATOM 0 HD22 LEU A 83 -8.372 4.872 7.064 1.00 1.36 H new ATOM 0 HD23 LEU A 83 -9.347 5.696 5.824 1.00 1.36 H new ATOM 1314 N ASP A 84 -7.646 10.311 6.234 1.00 2.60 N ATOM 1315 CA ASP A 84 -7.386 11.648 6.855 1.00 3.18 C ATOM 1316 C ASP A 84 -7.831 12.775 5.913 1.00 4.39 C ATOM 1317 O ASP A 84 -7.030 13.606 5.511 1.00 6.06 O ATOM 1318 CB ASP A 84 -5.895 11.742 7.190 1.00 3.55 C ATOM 1319 CG ASP A 84 -5.559 10.595 8.140 1.00 3.26 C ATOM 1320 OD1 ASP A 84 -5.829 10.753 9.319 1.00 3.41 O ATOM 1321 OD2 ASP A 84 -5.094 9.587 7.640 1.00 4.01 O ATOM 0 H ASP A 84 -7.442 10.241 5.237 1.00 2.60 H new ATOM 0 HA ASP A 84 -7.964 11.758 7.772 1.00 3.18 H new ATOM 0 HB2 ASP A 84 -5.294 11.676 6.283 1.00 3.55 H new ATOM 0 HB3 ASP A 84 -5.667 12.702 7.654 1.00 3.55 H new ATOM 1326 N ALA A 85 -9.119 12.738 5.620 1.00 3.79 N ATOM 1327 CA ALA A 85 -9.823 13.726 4.721 1.00 4.97 C ATOM 1328 C ALA A 85 -8.895 14.731 4.027 1.00 6.58 C ATOM 1329 O ALA A 85 -8.572 14.448 2.887 1.00 7.53 O ATOM 1330 CB ALA A 85 -10.854 14.488 5.564 1.00 4.85 C ATOM 0 H ALA A 85 -9.743 12.021 5.990 1.00 3.79 H new ATOM 0 HA ALA A 85 -10.285 13.150 3.919 1.00 4.97 H new ATOM 0 HB1 ALA A 85 -11.377 15.209 4.935 1.00 4.85 H new ATOM 0 HB2 ALA A 85 -11.573 13.784 5.983 1.00 4.85 H new ATOM 0 HB3 ALA A 85 -10.346 15.013 6.373 1.00 4.85 H new TER 1336 ALA A 85